smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc2c(c1)ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627777 719070975 /nfs/dbraw/zinc/07/09/75/719070975.db2.gz QPOCWDCAOAPMDM-UWJYYQICSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1ccc2c(cnnc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626606 719080514 /nfs/dbraw/zinc/08/05/14/719080514.db2.gz OSKQEFBNGAXNQW-UWJYYQICSA-N 1 1 378.907 4.384 20 0 GIADMO c1csc(-c2cc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ncn2)c1 ZINC001164623419 719100411 /nfs/dbraw/zinc/10/04/11/719100411.db2.gz CZBCVQIALOXRTM-AZUAARDMSA-N 1 1 376.529 4.306 20 0 GIADMO Fc1cccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164632528 719103383 /nfs/dbraw/zinc/10/33/83/719103383.db2.gz ZQZNIDJWYKCPHE-OFNKIYASSA-N 1 1 388.490 4.384 20 0 GIADMO CSc1ccc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164630375 719110212 /nfs/dbraw/zinc/11/02/12/719110212.db2.gz VWIXXYOHBWLOHX-PGRDOPGGSA-N 1 1 390.556 4.453 20 0 GIADMO CSc1ccc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164630374 719110594 /nfs/dbraw/zinc/11/05/94/719110594.db2.gz VWIXXYOHBWLOHX-GCJKJVERSA-N 1 1 390.556 4.453 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)[C@@H](C)C[N@@H+]1C ZINC001164631764 719257118 /nfs/dbraw/zinc/25/71/18/719257118.db2.gz FUMWWQHNXUNZOD-NEPJUHHUSA-N 1 1 384.833 4.010 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2cc(-c3cccc(F)c3)nnc2Cl)[C@@H](C)C[N@H+]1C ZINC001164631764 719257119 /nfs/dbraw/zinc/25/71/19/719257119.db2.gz FUMWWQHNXUNZOD-NEPJUHHUSA-N 1 1 384.833 4.010 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)[C@@H](C)C[N@@H+]1C ZINC001164637516 719257736 /nfs/dbraw/zinc/25/77/36/719257736.db2.gz VYQLIMCLPPVQMX-NEPJUHHUSA-N 1 1 384.833 4.010 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2cc(-c3ccc(F)cc3)nnc2Cl)[C@@H](C)C[N@H+]1C ZINC001164637516 719257741 /nfs/dbraw/zinc/25/77/41/719257741.db2.gz VYQLIMCLPPVQMX-NEPJUHHUSA-N 1 1 384.833 4.010 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3ccccc3cc1Cl)CC2 ZINC001164649137 719309805 /nfs/dbraw/zinc/30/98/05/719309805.db2.gz OHCDNLPIRWOFLJ-UHFFFAOYSA-N 1 1 383.927 4.290 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc3c(Cl)cccc31)CC2 ZINC001164650422 719310214 /nfs/dbraw/zinc/31/02/14/719310214.db2.gz YBRXQKJNWMJXSU-UHFFFAOYSA-N 1 1 383.927 4.290 20 0 GIADMO F[C@H](c1ccnc(Cl)c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696040 719892174 /nfs/dbraw/zinc/89/21/74/719892174.db2.gz VMYZKULHZLFMHB-SFHVURJKSA-N 1 1 395.931 4.132 20 0 GIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730485 720342458 /nfs/dbraw/zinc/34/24/58/720342458.db2.gz ZSKQCOWLNXHQEH-GJZGRUSLSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730485 720342467 /nfs/dbraw/zinc/34/24/67/720342467.db2.gz ZSKQCOWLNXHQEH-GJZGRUSLSA-N 1 1 399.272 4.182 20 0 GIADMO Cc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc2c(Cl)cccc12 ZINC001164726400 720417340 /nfs/dbraw/zinc/41/73/40/720417340.db2.gz BVYGNQBMEJJMCC-VQTJNVASSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164735414 720420496 /nfs/dbraw/zinc/42/04/96/720420496.db2.gz XGJVOCJJYQYCDM-UXHICEINSA-N 1 1 378.907 4.445 20 0 GIADMO Clc1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(-c2ccccc2)n1 ZINC001164735029 720453658 /nfs/dbraw/zinc/45/36/58/720453658.db2.gz VBNUVXUTUYJSTA-MOPGFXCFSA-N 1 1 391.906 4.045 20 0 GIADMO Fc1cccc2c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164728237 720476652 /nfs/dbraw/zinc/47/66/52/720476652.db2.gz OOQPZAORGZZQBH-MSOLQXFVSA-N 1 1 382.870 4.276 20 0 GIADMO Fc1cccc2cc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731121 720489412 /nfs/dbraw/zinc/48/94/12/720489412.db2.gz VUIDHQJQUBMLDD-ROUUACIJSA-N 1 1 382.870 4.276 20 0 GIADMO Cc1cccc2c1ccnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838525 720547876 /nfs/dbraw/zinc/54/78/76/720547876.db2.gz OGXWREKRIWFRHZ-ZRCGQRJVSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1cccc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843156 720628787 /nfs/dbraw/zinc/62/87/87/720628787.db2.gz WZTABGTZKNPRJZ-BHDDXSALSA-N 1 1 389.547 4.118 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)ncc1F)CC2 ZINC001164841865 720687163 /nfs/dbraw/zinc/68/71/63/720687163.db2.gz JPWNNJFMHURIFG-QGZVFWFLSA-N 1 1 389.902 4.134 20 0 GIADMO Cc1cccc2c(Cl)nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857912 720957890 /nfs/dbraw/zinc/95/78/90/720957890.db2.gz IFJVTTZZOOXRKC-OAHLLOKOSA-N 1 1 398.942 4.210 20 0 GIADMO Cc1nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164774713 721301525 /nfs/dbraw/zinc/30/15/25/721301525.db2.gz IRTMMWJEMJABLL-UHFFFAOYSA-N 1 1 396.966 4.260 20 0 GIADMO CCc1ccccc1Oc1nc(Cl)ncc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164775194 721302613 /nfs/dbraw/zinc/30/26/13/721302613.db2.gz RYHAOCHTAQITRZ-UHFFFAOYSA-N 1 1 398.938 4.407 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccco3)nn1)CC2 ZINC001164796791 721501517 /nfs/dbraw/zinc/50/15/17/721501517.db2.gz YADFCVYNABBEOR-UHFFFAOYSA-N 1 1 389.503 4.013 20 0 GIADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2[nH]ccc21 ZINC001164905461 721714599 /nfs/dbraw/zinc/71/45/99/721714599.db2.gz GKPQSKIWACPUJK-NRFANRHFSA-N 1 1 397.473 4.004 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(F)cc1Cl)C2 ZINC001164909434 721752533 /nfs/dbraw/zinc/75/25/33/721752533.db2.gz TVQGKVHHMUTLFC-UHFFFAOYSA-N 1 1 386.858 4.057 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc(F)cc1Cl)C2 ZINC001164909434 721752536 /nfs/dbraw/zinc/75/25/36/721752536.db2.gz TVQGKVHHMUTLFC-UHFFFAOYSA-N 1 1 386.858 4.057 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc(C4CC4)n3)C[C@@H]21 ZINC001165018729 721803499 /nfs/dbraw/zinc/80/34/99/721803499.db2.gz CGEQEEKAAQTZSF-NZSAHSFTSA-N 1 1 397.954 4.139 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc(C4CC4)n3)C[C@H]21 ZINC001165018728 721803607 /nfs/dbraw/zinc/80/36/07/721803607.db2.gz CGEQEEKAAQTZSF-BHIYHBOVSA-N 1 1 397.954 4.139 20 0 GIADMO Cc1c[nH]c2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc12 ZINC001165027202 721807376 /nfs/dbraw/zinc/80/73/76/721807376.db2.gz UFPZHCVXPRSQMV-YYWHXJBOSA-N 1 1 375.520 4.003 20 0 GIADMO CSc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c1 ZINC001165028974 721821591 /nfs/dbraw/zinc/82/15/91/721821591.db2.gz WCCVDYVWUSASRT-DZFGPLHGSA-N 1 1 382.577 4.244 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)ncn3)C[C@H]21 ZINC001165029653 721823095 /nfs/dbraw/zinc/82/30/95/721823095.db2.gz XJFRDSFWDMZWTQ-KIFXHHALSA-N 1 1 399.542 4.276 20 0 GIADMO Clc1cnc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc2c1 ZINC001164951666 722016446 /nfs/dbraw/zinc/01/64/46/722016446.db2.gz BTRXMDCNAPPWHY-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO CSc1cc(Cl)ncc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951690 722016606 /nfs/dbraw/zinc/01/66/06/722016606.db2.gz CEIWBSZASSFSTO-UHFFFAOYSA-N 1 1 388.968 4.344 20 0 GIADMO COc1ccc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164955698 722019349 /nfs/dbraw/zinc/01/93/49/722019349.db2.gz NRHZUKTVCOFHHZ-UHFFFAOYSA-N 1 1 388.515 4.131 20 0 GIADMO Cc1nc2ccsc2c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993940 722191229 /nfs/dbraw/zinc/19/12/29/722191229.db2.gz JQUPTZLJBFCNRV-NRFANRHFSA-N 1 1 382.508 4.384 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(Cl)nc(C4CC4)n2)C3)c1 ZINC001164993878 722193854 /nfs/dbraw/zinc/19/38/54/722193854.db2.gz IHBSFSUNJXLYAS-NRFANRHFSA-N 1 1 386.902 4.391 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cnc(Cl)nc2)C3)c1 ZINC001164993889 722194778 /nfs/dbraw/zinc/19/47/78/722194778.db2.gz ISAXANYOUOSFFQ-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cnc(Cl)nc2)C3)c1 ZINC001164993889 722194783 /nfs/dbraw/zinc/19/47/83/722194783.db2.gz ISAXANYOUOSFFQ-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2ccccc12 ZINC001164995756 722198333 /nfs/dbraw/zinc/19/83/33/722198333.db2.gz XTWGAMSCZTYONY-HSZRJFAPSA-N 1 1 376.479 4.322 20 0 GIADMO COc1cc(Cl)cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995710 722199101 /nfs/dbraw/zinc/19/91/01/722199101.db2.gz XAUMLRXGFUCZCM-HXUWFJFHSA-N 1 1 375.875 4.128 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cncc(Cl)n2)C3)c1 ZINC001164997325 722205929 /nfs/dbraw/zinc/20/59/29/722205929.db2.gz ZNGONSXLMFTQCL-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cncc(Cl)n2)C3)c1 ZINC001164997325 722205933 /nfs/dbraw/zinc/20/59/33/722205933.db2.gz ZNGONSXLMFTQCL-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Cc1cc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2s1 ZINC001164995696 722206233 /nfs/dbraw/zinc/20/62/33/722206233.db2.gz PLDVQOIJJHJMET-OAQYLSRUSA-N 1 1 382.508 4.384 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000570487954 823045020 /nfs/dbraw/zinc/04/50/20/823045020.db2.gz DNZVNVARNYKCPT-UHFFFAOYSA-N 1 1 393.362 4.209 20 0 GIADMO Cc1cc(CNc2nc3ccccc3nc2N2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000570494068 823046210 /nfs/dbraw/zinc/04/62/10/823046210.db2.gz LCRYRFYWVMHOBI-UHFFFAOYSA-N 1 1 388.519 4.146 20 0 GIADMO C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)CC1(O)CCCCCC1 ZINC000187360298 823049483 /nfs/dbraw/zinc/04/94/83/823049483.db2.gz MIUQOQXBTRMXQA-UHFFFAOYSA-N 1 1 397.544 4.169 20 0 GIADMO C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)CC1(O)CCCCCC1 ZINC000187360298 823049488 /nfs/dbraw/zinc/04/94/88/823049488.db2.gz MIUQOQXBTRMXQA-UHFFFAOYSA-N 1 1 397.544 4.169 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](Sc3ccc(F)cc3)c3ccccc3)C2)C1 ZINC000570522298 823049491 /nfs/dbraw/zinc/04/94/91/823049491.db2.gz ZHEPKRWGKQZDGJ-IFMALSPDSA-N 1 1 384.520 4.213 20 0 GIADMO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ncc(Br)cc2F)n1 ZINC000187375310 823052044 /nfs/dbraw/zinc/05/20/44/823052044.db2.gz GOOKEAMQSVAZPR-CYBMUJFWSA-N 1 1 389.272 4.328 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000458536502 823052353 /nfs/dbraw/zinc/05/23/53/823052353.db2.gz GMOMWOAUAJHZLI-FXAWDEMLSA-N 1 1 383.540 4.010 20 0 GIADMO C[N@@H+](CCC1CCOCC1)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000120725787 823053334 /nfs/dbraw/zinc/05/33/34/823053334.db2.gz ZGBMLZGAGMSIOX-UHFFFAOYSA-N 1 1 379.298 4.353 20 0 GIADMO Cc1csc([C@H](NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C2CC2)n1 ZINC000175848370 823054493 /nfs/dbraw/zinc/05/44/93/823054493.db2.gz CGNRMLPAWYHSNY-JENIJYKNSA-N 1 1 390.597 4.199 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175848583 823054890 /nfs/dbraw/zinc/05/48/90/823054890.db2.gz XLRVVKHDPHCXNF-RDJZCZTQSA-N 1 1 378.925 4.237 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175848583 823054893 /nfs/dbraw/zinc/05/48/93/823054893.db2.gz XLRVVKHDPHCXNF-RDJZCZTQSA-N 1 1 378.925 4.237 20 0 GIADMO Cc1ccccc1-c1noc(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000055869983 823057466 /nfs/dbraw/zinc/05/74/66/823057466.db2.gz UZBBIIAJNFIHDO-ROUUACIJSA-N 1 1 392.503 4.266 20 0 GIADMO C[N@@H+](CCc1ccccn1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000120772458 823061225 /nfs/dbraw/zinc/06/12/25/823061225.db2.gz PFQDHVHBEDNJEI-UHFFFAOYSA-N 1 1 383.499 4.063 20 0 GIADMO Cc1cccnc1[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)C(C)C ZINC000120784907 823063398 /nfs/dbraw/zinc/06/33/98/823063398.db2.gz XAGFFCNFHWDINI-SFHVURJKSA-N 1 1 380.517 4.099 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(Cl)cn1 ZINC000175880324 823062490 /nfs/dbraw/zinc/06/24/90/823062490.db2.gz SDEPOICFCVGUNE-UHFFFAOYSA-N 1 1 384.867 4.282 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc(Cl)cn1 ZINC000175880324 823062494 /nfs/dbraw/zinc/06/24/94/823062494.db2.gz SDEPOICFCVGUNE-UHFFFAOYSA-N 1 1 384.867 4.282 20 0 GIADMO O=C(Nc1c(F)cccc1Cl)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000570630198 823064321 /nfs/dbraw/zinc/06/43/21/823064321.db2.gz PEZPZCJATCNSBO-IRXDYDNUSA-N 1 1 387.886 4.465 20 0 GIADMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ccc(SC)cc43)cn2)CC1 ZINC000570632351 823064785 /nfs/dbraw/zinc/06/47/85/823064785.db2.gz LFDMCIPZICNROK-JOCHJYFZSA-N 1 1 396.604 4.113 20 0 GIADMO COc1ccc(C[NH+]2CCC(OCC(C)C)CC2)c(Br)c1OC ZINC000055905871 823065103 /nfs/dbraw/zinc/06/51/03/823065103.db2.gz CJKOAJOEKPKVEC-UHFFFAOYSA-N 1 1 386.330 4.103 20 0 GIADMO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)c(OC)cc1Cl ZINC000055910293 823066059 /nfs/dbraw/zinc/06/60/59/823066059.db2.gz NKISZJQSBUGHGV-GOSISDBHSA-N 1 1 388.895 4.441 20 0 GIADMO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)c2)c(OC)cc1Cl ZINC000055910293 823066064 /nfs/dbraw/zinc/06/60/64/823066064.db2.gz NKISZJQSBUGHGV-GOSISDBHSA-N 1 1 388.895 4.441 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1)c1cccs1 ZINC000187454613 823066701 /nfs/dbraw/zinc/06/67/01/823066701.db2.gz ZVOAUDSSAQFSNR-PMACEKPBSA-N 1 1 385.508 4.220 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458632070 823067104 /nfs/dbraw/zinc/06/71/04/823067104.db2.gz NCYRPYCPWFANKQ-WDSOQIARSA-N 1 1 389.971 4.492 20 0 GIADMO COC[C@H](C)n1ccc(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000187456538 823067147 /nfs/dbraw/zinc/06/71/47/823067147.db2.gz AMPQGQKKNDSBEZ-KRWDZBQOSA-N 1 1 399.539 4.499 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cc1F ZINC000175900471 823067438 /nfs/dbraw/zinc/06/74/38/823067438.db2.gz BYOXEDMBZPIQIQ-QVKFZJNVSA-N 1 1 378.451 4.222 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000570660248 823068249 /nfs/dbraw/zinc/06/82/49/823068249.db2.gz APKBOFQMSABWHW-XLWVJDPXSA-N 1 1 385.335 4.193 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000570660248 823068255 /nfs/dbraw/zinc/06/82/55/823068255.db2.gz APKBOFQMSABWHW-XLWVJDPXSA-N 1 1 385.335 4.193 20 0 GIADMO 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ITPXWSTXWGHIEE-UGKGYDQZSA-N 1 1 397.450 4.180 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(CCc3ccc(-c4ccccc4F)o3)n1)OC2 ZINC000571245006 823154645 /nfs/dbraw/zinc/15/46/45/823154645.db2.gz ITPXWSTXWGHIEE-UGKGYDQZSA-N 1 1 397.450 4.180 20 0 GIADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2C2CC2)c1C ZINC000571291643 823161179 /nfs/dbraw/zinc/16/11/79/823161179.db2.gz KCRHXCCDTJYNFR-HQRMLTQVSA-N 1 1 395.551 4.043 20 0 GIADMO CCCN(C(=O)NC1CCC(OC)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459299946 823158263 /nfs/dbraw/zinc/15/82/63/823158263.db2.gz YQGLAZAPPRYJBA-ORFBVSJDSA-N 1 1 387.568 4.030 20 0 GIADMO C[C@H]1CN(c2ccccc2C[N@@H+](C)Cc2ccccc2N2CCCC2)CCO1 ZINC000459301232 823158724 /nfs/dbraw/zinc/15/87/24/823158724.db2.gz JIRQLGHEHCKANF-FQEVSTJZSA-N 1 1 379.548 4.144 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000571273915 823159338 /nfs/dbraw/zinc/15/93/38/823159338.db2.gz FGKDVEWTCULFPX-RBUKOAKNSA-N 1 1 393.531 4.122 20 0 GIADMO 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/nfs/dbraw/zinc/16/27/34/823162734.db2.gz MYBYTUWMSWIOND-UHFFFAOYSA-N 1 1 376.525 4.354 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2c(F)cccc2F)C2CC2)c1 ZINC000187954902 823163224 /nfs/dbraw/zinc/16/32/24/823163224.db2.gz RJFWNPQHGFNRDE-UHFFFAOYSA-N 1 1 387.474 4.291 20 0 GIADMO Fc1cccc(-n2cccn2)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571324922 823165422 /nfs/dbraw/zinc/16/54/22/823165422.db2.gz FYKYGJQJIMXLIQ-FQEVSTJZSA-N 1 1 390.506 4.298 20 0 GIADMO Fc1cccc(-n2cccn2)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000571324922 823165424 /nfs/dbraw/zinc/16/54/24/823165424.db2.gz FYKYGJQJIMXLIQ-FQEVSTJZSA-N 1 1 390.506 4.298 20 0 GIADMO CC[N@@H+](CCc1cncn1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000459341627 823165489 /nfs/dbraw/zinc/16/54/89/823165489.db2.gz PZJKIRLKSFCXHZ-INIZCTEOSA-N 1 1 380.355 4.284 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@@H+]3CC[C@H](Cc4ccc(F)cc4)C3)[nH]c(=O)c2c1C ZINC000121336131 823165584 /nfs/dbraw/zinc/16/55/84/823165584.db2.gz AHRUSGHKWLVRBD-CZUORRHYSA-N 1 1 385.508 4.366 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@H+]3CC[C@H](Cc4ccc(F)cc4)C3)[nH]c(=O)c2c1C ZINC000121336131 823165585 /nfs/dbraw/zinc/16/55/85/823165585.db2.gz AHRUSGHKWLVRBD-CZUORRHYSA-N 1 1 385.508 4.366 20 0 GIADMO Cc1nc(COC(C)(C)C)oc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000571332000 823166545 /nfs/dbraw/zinc/16/65/45/823166545.db2.gz SYXQFDCKJUFKCQ-AWEZNQCLSA-N 1 1 396.491 4.283 20 0 GIADMO FC(F)(F)c1ccc2nnc([C@H]3CCC[N@@H+](CCOCC4CCCC4)C3)n2c1 ZINC000459350495 823168340 /nfs/dbraw/zinc/16/83/40/823168340.db2.gz PIZYZRLGYDDEBD-INIZCTEOSA-N 1 1 396.457 4.134 20 0 GIADMO CC[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc(Br)cc1Cl ZINC000188012545 823171830 /nfs/dbraw/zinc/17/18/30/823171830.db2.gz RMYSBJYPWAEMEJ-MRXNPFEDSA-N 1 1 389.765 4.254 20 0 GIADMO Clc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000459359747 823171320 /nfs/dbraw/zinc/17/13/20/823171320.db2.gz XWWZBHUIZHTRCJ-ZDUSSCGKSA-N 1 1 395.732 4.020 20 0 GIADMO Clc1cc(Br)cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000459359747 823171321 /nfs/dbraw/zinc/17/13/21/823171321.db2.gz XWWZBHUIZHTRCJ-ZDUSSCGKSA-N 1 1 395.732 4.020 20 0 GIADMO CC(C)OC1CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000571367192 823172328 /nfs/dbraw/zinc/17/23/28/823172328.db2.gz SFZBUSBZADRYSU-UHFFFAOYSA-N 1 1 378.516 4.339 20 0 GIADMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000121373214 823172366 /nfs/dbraw/zinc/17/23/66/823172366.db2.gz DJMUUKRJXBYQQE-UHFFFAOYSA-N 1 1 396.384 4.401 20 0 GIADMO C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]Cc1nnc2n1CCCCC2 ZINC000459377798 823177234 /nfs/dbraw/zinc/17/72/34/823177234.db2.gz XQWKYSNOTZJTFL-JXMROGBWSA-N 1 1 388.515 4.387 20 0 GIADMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000121378884 823173823 /nfs/dbraw/zinc/17/38/23/823173823.db2.gz RHOSILQBMXBQFT-DZGCQCFKSA-N 1 1 377.419 4.186 20 0 GIADMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000121378884 823173825 /nfs/dbraw/zinc/17/38/25/823173825.db2.gz RHOSILQBMXBQFT-DZGCQCFKSA-N 1 1 377.419 4.186 20 0 GIADMO CC(C)[N@H+](CCn1cc(Cl)cn1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000459366042 823173849 /nfs/dbraw/zinc/17/38/49/823173849.db2.gz CQNYHYZJAAQOSX-UHFFFAOYSA-N 1 1 380.279 4.151 20 0 GIADMO CC(C)[N@@H+](CCn1cc(Cl)cn1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000459366042 823173851 /nfs/dbraw/zinc/17/38/51/823173851.db2.gz CQNYHYZJAAQOSX-UHFFFAOYSA-N 1 1 380.279 4.151 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N(Cc3ccc(C)s3)C(C)C)c2C1 ZINC000121397149 823177242 /nfs/dbraw/zinc/17/72/42/823177242.db2.gz JUCJBKQYAIDALK-UHFFFAOYSA-N 1 1 399.560 4.158 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N(Cc3ccc(C)s3)C(C)C)c2C1 ZINC000121397149 823177244 /nfs/dbraw/zinc/17/72/44/823177244.db2.gz JUCJBKQYAIDALK-UHFFFAOYSA-N 1 1 399.560 4.158 20 0 GIADMO Cc1ccc(-n2ncc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2C(C)C)cc1 ZINC000571377039 823174466 /nfs/dbraw/zinc/17/44/66/823174466.db2.gz WVNZQRRFQRLJBZ-GHTZIAJQSA-N 1 1 395.551 4.252 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)NC[C@@H](C)Cn3cc[nH+]c3C)c2)cc1 ZINC000176293978 823174719 /nfs/dbraw/zinc/17/47/19/823174719.db2.gz NOYPJCNBDYYDEY-OAHLLOKOSA-N 1 1 398.532 4.064 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@]2(CO)CC(C)C)cc1OCc1cccnc1 ZINC000188034823 823174836 /nfs/dbraw/zinc/17/48/36/823174836.db2.gz OPEKYDOCIISOIL-HSZRJFAPSA-N 1 1 384.520 4.042 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@@H+](C)C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459372758 823175370 /nfs/dbraw/zinc/17/53/70/823175370.db2.gz ZSFCZLRUPXAMGJ-CJHOVAGGSA-N 1 1 378.516 4.079 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000188042022 823175966 /nfs/dbraw/zinc/17/59/66/823175966.db2.gz ZZRMMOUHVAPXFJ-MLGOLLRUSA-N 1 1 395.425 4.224 20 0 GIADMO CCCCOc1cc(OCCC)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000188042821 823176336 /nfs/dbraw/zinc/17/63/36/823176336.db2.gz KJPPQIONMNGTLH-QZTJIDSGSA-N 1 1 376.541 4.209 20 0 GIADMO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)cs1 ZINC000459381814 823178298 /nfs/dbraw/zinc/17/82/98/823178298.db2.gz VGHNFBPXLJUIOU-KRWDZBQOSA-N 1 1 385.577 4.436 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(O)c1Br)c1ccc(NC(=O)C2CC2)cc1 ZINC000459386620 823179909 /nfs/dbraw/zinc/17/99/09/823179909.db2.gz JMVXELXHUMZDDU-GFCCVEGCSA-N 1 1 389.293 4.354 20 0 GIADMO CCC[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1cccc(C(F)(F)F)c1 ZINC000571428249 823181671 /nfs/dbraw/zinc/18/16/71/823181671.db2.gz PFZHUMNYHYXOLH-YJBOKZPZSA-N 1 1 379.426 4.430 20 0 GIADMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)C1 ZINC000176325930 823182358 /nfs/dbraw/zinc/18/23/58/823182358.db2.gz WGCWRNNTMMBXMX-MRXNPFEDSA-N 1 1 387.549 4.230 20 0 GIADMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)C1 ZINC000176325930 823182360 /nfs/dbraw/zinc/18/23/60/823182360.db2.gz WGCWRNNTMMBXMX-MRXNPFEDSA-N 1 1 387.549 4.230 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@H](C)c3cc4ccccc4o3)CC2)[nH+]1 ZINC000188076757 823182567 /nfs/dbraw/zinc/18/25/67/823182567.db2.gz WIINFXQLMSJTQB-MRXNPFEDSA-N 1 1 378.476 4.165 20 0 GIADMO Oc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1Br ZINC000459379416 823177659 /nfs/dbraw/zinc/17/76/59/823177659.db2.gz XZHJVNPVEUOIPC-IBGZPJMESA-N 1 1 390.277 4.167 20 0 GIADMO COCc1c(Br)cccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176346377 823188535 /nfs/dbraw/zinc/18/85/35/823188535.db2.gz NHJALRMRZUSPNY-AWEZNQCLSA-N 1 1 395.341 4.189 20 0 GIADMO c1c(CN[C@H]2CC[N@H+](C3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459401731 823184551 /nfs/dbraw/zinc/18/45/51/823184551.db2.gz DUOCIVBOEDKEBW-IBGZPJMESA-N 1 1 379.552 4.167 20 0 GIADMO c1c(C[NH2+][C@H]2CCN(C3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459401731 823184554 /nfs/dbraw/zinc/18/45/54/823184554.db2.gz DUOCIVBOEDKEBW-IBGZPJMESA-N 1 1 379.552 4.167 20 0 GIADMO CCCC[C@@H]([NH2+]C1CCN(C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000459404211 823185444 /nfs/dbraw/zinc/18/54/44/823185444.db2.gz RPJQDWDSWWXNEF-HSZRJFAPSA-N 1 1 398.595 4.001 20 0 GIADMO COc1cccc([C@H](C)C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)c1 ZINC000121449780 823186631 /nfs/dbraw/zinc/18/66/31/823186631.db2.gz IBCQIXARIMORMZ-BZSNNMDCSA-N 1 1 382.504 4.047 20 0 GIADMO CCOc1cc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc(Cl)c1O ZINC000459413933 823187670 /nfs/dbraw/zinc/18/76/70/823187670.db2.gz YEGSFLQFTMYVBR-GOSISDBHSA-N 1 1 388.939 4.099 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416437 823187987 /nfs/dbraw/zinc/18/79/87/823187987.db2.gz CEWXDGKFUIKGGT-IMSXRSKXSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416437 823187990 /nfs/dbraw/zinc/18/79/90/823187990.db2.gz CEWXDGKFUIKGGT-IMSXRSKXSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416437 823187994 /nfs/dbraw/zinc/18/79/94/823187994.db2.gz CEWXDGKFUIKGGT-IMSXRSKXSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416437 823187996 /nfs/dbraw/zinc/18/79/96/823187996.db2.gz CEWXDGKFUIKGGT-IMSXRSKXSA-N 1 1 393.575 4.054 20 0 GIADMO CCOc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1 ZINC000571486146 823190244 /nfs/dbraw/zinc/19/02/44/823190244.db2.gz QZIWIDHXXVBUKR-RTWAWAEBSA-N 1 1 393.531 4.380 20 0 GIADMO CC(C)[N@@H+]1CCC[C@H](CNCc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459431447 823190911 /nfs/dbraw/zinc/19/09/11/823190911.db2.gz RDTKRCBAINXYLE-LJQANCHMSA-N 1 1 381.568 4.270 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNCc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459431447 823190916 /nfs/dbraw/zinc/19/09/16/823190916.db2.gz RDTKRCBAINXYLE-LJQANCHMSA-N 1 1 381.568 4.270 20 0 GIADMO C[C@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000056663278 823192523 /nfs/dbraw/zinc/19/25/23/823192523.db2.gz LBLUGVMKNAXVRI-QGZVFWFLSA-N 1 1 398.576 4.307 20 0 GIADMO C[C@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)[N@H+]1CCc2sccc2C1 ZINC000056663278 823192528 /nfs/dbraw/zinc/19/25/28/823192528.db2.gz LBLUGVMKNAXVRI-QGZVFWFLSA-N 1 1 398.576 4.307 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1C1CC1 ZINC000121490969 823193704 /nfs/dbraw/zinc/19/37/04/823193704.db2.gz NYCWDGGCUQSAOH-AWEZNQCLSA-N 1 1 395.482 4.295 20 0 GIADMO Fc1ccc(-c2nc(CC[NH2+][C@H](c3ncc[nH]3)c3ccc(F)cc3)co2)cc1 ZINC000188166234 823196980 /nfs/dbraw/zinc/19/69/80/823196980.db2.gz FZUUSABKMQBVLN-IBGZPJMESA-N 1 1 380.398 4.265 20 0 GIADMO CCC[C@H]([NH2+]Cc1c(C)nc2scc(C3CC3)n12)c1nnc2ccccn21 ZINC000459461995 823197105 /nfs/dbraw/zinc/19/71/05/823197105.db2.gz JCVAAQWKPHETQR-HNNXBMFYSA-N 1 1 380.521 4.255 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000459465416 823197838 /nfs/dbraw/zinc/19/78/38/823197838.db2.gz OFCYQRSEQMJLEG-GBESFXJTSA-N 1 1 393.453 4.239 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000459465416 823197841 /nfs/dbraw/zinc/19/78/41/823197841.db2.gz OFCYQRSEQMJLEG-GBESFXJTSA-N 1 1 393.453 4.239 20 0 GIADMO C[C@@H]1CN(c2ccccc2CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCO1 ZINC000459465926 823198246 /nfs/dbraw/zinc/19/82/46/823198246.db2.gz QLFLMSTXORXCCW-MRXNPFEDSA-N 1 1 376.504 4.288 20 0 GIADMO CCN(C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1)CC(F)(F)F ZINC000176403952 823201192 /nfs/dbraw/zinc/20/11/92/823201192.db2.gz SPTGVBLZLKCWFA-DLBZAZTESA-N 1 1 399.501 4.343 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(Br)s2)C1)CC(F)(F)F ZINC000176396073 823198588 /nfs/dbraw/zinc/19/85/88/823198588.db2.gz CWVNXRFHOASXAS-LLVKDONJSA-N 1 1 385.293 4.217 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1)CC(F)(F)F ZINC000176398412 823199508 /nfs/dbraw/zinc/19/95/08/823199508.db2.gz KGYOIXNOQURVNX-OAHLLOKOSA-N 1 1 398.391 4.334 20 0 GIADMO F[C@@H](c1noc(Cn2c[nH+]c3c2CCCC3)n1)c1ccc(C(F)(F)F)cc1 ZINC000571566902 823201399 /nfs/dbraw/zinc/20/13/99/823201399.db2.gz UWYQHLVDIUMCNZ-MRXNPFEDSA-N 1 1 380.345 4.271 20 0 GIADMO COc1ccc2c(c1)[C@H](NCC1([NH+]3CCCCC3)CCOCC1)CCCS2 ZINC000188189430 823200663 /nfs/dbraw/zinc/20/06/63/823200663.db2.gz XISJAUMKUGQUSW-HXUWFJFHSA-N 1 1 390.593 4.247 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCCOc2cccc3cccnc32)c2ncc[nH]2)cc1 ZINC000188194619 823201713 /nfs/dbraw/zinc/20/17/13/823201713.db2.gz XETCHYXMYJPIOS-OAQYLSRUSA-N 1 1 376.435 4.245 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)NCC[N@H+]3CCc4ccccc4C3)c2)oc1C ZINC000056731333 823201924 /nfs/dbraw/zinc/20/19/24/823201924.db2.gz WXLHDKSJJJUQBB-UHFFFAOYSA-N 1 1 390.487 4.138 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(Br)cs2)C1)CC(F)(F)F ZINC000176408188 823202092 /nfs/dbraw/zinc/20/20/92/823202092.db2.gz FKSIEZYNYKSWOR-NSHDSACASA-N 1 1 385.293 4.217 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000459487671 823202685 /nfs/dbraw/zinc/20/26/85/823202685.db2.gz TWZIOCXARKNRKN-UHFFFAOYSA-N 1 1 381.516 4.300 20 0 GIADMO CCOc1cc(C[N@@H+](C)C[C@@H](C)c2nccs2)cc(Br)c1O ZINC000459488386 823202876 /nfs/dbraw/zinc/20/28/76/823202876.db2.gz UNTBZTXUPVEDME-LLVKDONJSA-N 1 1 385.327 4.245 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)c2ccoc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000571575368 823203078 /nfs/dbraw/zinc/20/30/78/823203078.db2.gz GJVRIVSIIUCZDG-ZBFHGGJFSA-N 1 1 380.410 4.329 20 0 GIADMO COCc1cc(C[NH+]2CCC(c3ccc(Br)c(C)c3)CC2)no1 ZINC000459489295 823203153 /nfs/dbraw/zinc/20/31/53/823203153.db2.gz JRVYCYOMVNHYSG-UHFFFAOYSA-N 1 1 379.298 4.272 20 0 GIADMO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000459492115 823203540 /nfs/dbraw/zinc/20/35/40/823203540.db2.gz ZSDPZRWJOXTCOF-UHFFFAOYSA-N 1 1 393.463 4.158 20 0 GIADMO COc1ccc([C@H](CNC(=O)c2scnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000176416451 823203983 /nfs/dbraw/zinc/20/39/83/823203983.db2.gz RTUBWJGHDWLVEH-KRWDZBQOSA-N 1 1 387.549 4.016 20 0 GIADMO C[C@@H](c1ccccn1)[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459500638 823205459 /nfs/dbraw/zinc/20/54/59/823205459.db2.gz DPNPUECAMHMOLL-SFHVURJKSA-N 1 1 384.955 4.083 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000056752651 823206973 /nfs/dbraw/zinc/20/69/73/823206973.db2.gz VUVRCNHLYJNSAU-QFIPXVFZSA-N 1 1 397.494 4.069 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1scnc1C(C)(C)C)[NH+]1CCCC1 ZINC000176426600 823205553 /nfs/dbraw/zinc/20/55/53/823205553.db2.gz QJWZYOPVYIQJLE-MRXNPFEDSA-N 1 1 387.549 4.016 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459501658 823205857 /nfs/dbraw/zinc/20/58/57/823205857.db2.gz ODHNOFZFQKJOOY-QGZVFWFLSA-N 1 1 384.545 4.297 20 0 GIADMO C[C@@H]1CN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC[N@H+]1CC(C)(C)O ZINC000459509756 823207635 /nfs/dbraw/zinc/20/76/35/823207635.db2.gz LKZSWRPIVSCBKU-PWYGHMFVSA-N 1 1 394.559 4.056 20 0 GIADMO Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000056761236 823208582 /nfs/dbraw/zinc/20/85/82/823208582.db2.gz GYRGGTKBFNCBQU-LJQANCHMSA-N 1 1 381.520 4.095 20 0 GIADMO COc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)Cc2ccsc2)c(OC)cc1Cl ZINC000176451172 823210392 /nfs/dbraw/zinc/21/03/92/823210392.db2.gz DUHQUNOSFWQGRX-ZDUSSCGKSA-N 1 1 396.940 4.310 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459523334 823210575 /nfs/dbraw/zinc/21/05/75/823210575.db2.gz NCEMXNMMTFRGLA-UHFFFAOYSA-N 1 1 378.516 4.060 20 0 GIADMO Cc1cccc(CC2(O)CC[NH+](Cc3cccc(O)c3Br)CC2)c1 ZINC000459522561 823210768 /nfs/dbraw/zinc/21/07/68/823210768.db2.gz INEGUVULEMAZTN-UHFFFAOYSA-N 1 1 390.321 4.033 20 0 GIADMO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)ccc1O ZINC000459524283 823210934 /nfs/dbraw/zinc/21/09/34/823210934.db2.gz JOXNHERTYGWWST-WMLDXEAASA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)ccc1O ZINC000459524283 823210939 /nfs/dbraw/zinc/21/09/39/823210939.db2.gz JOXNHERTYGWWST-WMLDXEAASA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)ccc1O ZINC000459524281 823211022 /nfs/dbraw/zinc/21/10/22/823211022.db2.gz JOXNHERTYGWWST-RHSMWYFYSA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)ccc1O ZINC000459524281 823211025 /nfs/dbraw/zinc/21/10/25/823211025.db2.gz JOXNHERTYGWWST-RHSMWYFYSA-N 1 1 381.394 4.118 20 0 GIADMO COCCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000571623515 823211030 /nfs/dbraw/zinc/21/10/30/823211030.db2.gz BKYZZFINPNIGCJ-YLJYHZDGSA-N 1 1 383.488 4.054 20 0 GIADMO Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000121584173 823211098 /nfs/dbraw/zinc/21/10/98/823211098.db2.gz GPNTWJWHUDDINF-OALUTQOASA-N 1 1 397.567 4.196 20 0 GIADMO c1n[nH]c2cc(CC[NH2+]Cc3cn(C4CCCC4)nc3-c3ccccn3)ccc12 ZINC000459525389 823211217 /nfs/dbraw/zinc/21/12/17/823211217.db2.gz MXAARURKKSKMIH-UHFFFAOYSA-N 1 1 386.503 4.269 20 0 GIADMO CCOc1cc(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)cc(Cl)c1O ZINC000459533192 823213592 /nfs/dbraw/zinc/21/35/92/823213592.db2.gz FFJWTFJYGQKGNA-KRWDZBQOSA-N 1 1 383.319 4.490 20 0 GIADMO CS(=O)(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459535837 823214433 /nfs/dbraw/zinc/21/44/33/823214433.db2.gz SFFVNJOVFUJDKF-DXSBJVNVSA-N 1 1 399.556 4.178 20 0 GIADMO CS(=O)(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459535837 823214437 /nfs/dbraw/zinc/21/44/37/823214437.db2.gz SFFVNJOVFUJDKF-DXSBJVNVSA-N 1 1 399.556 4.178 20 0 GIADMO CC(C)[C@@H](NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1nc2ccccc2[nH]1 ZINC000056791699 823214744 /nfs/dbraw/zinc/21/47/44/823214744.db2.gz BESDRJIBWNXIGQ-HXUWFJFHSA-N 1 1 385.556 4.022 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000459536979 823214833 /nfs/dbraw/zinc/21/48/33/823214833.db2.gz QYYUXRKJUCCPNW-UHFFFAOYSA-N 1 1 379.533 4.493 20 0 GIADMO CC(C)(CNCc1cn(C2CCCC2)nc1-c1ccccn1)C[NH+]1CCCC1 ZINC000459537748 823215150 /nfs/dbraw/zinc/21/51/50/823215150.db2.gz ZXJDMFLBCUVOKN-UHFFFAOYSA-N 1 1 381.568 4.272 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000571654240 823215233 /nfs/dbraw/zinc/21/52/33/823215233.db2.gz NIJZJYOSEJKHCQ-AWEZNQCLSA-N 1 1 384.867 4.389 20 0 GIADMO C[N@@H+](C/C=C/c1ccc(OCc2ccccc2)cc1)C1(CCO)CCOCC1 ZINC000459550347 823218224 /nfs/dbraw/zinc/21/82/24/823218224.db2.gz JATHNQUMWZCWKG-VMPITWQZSA-N 1 1 381.516 4.142 20 0 GIADMO Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C)CCc2ccccn2)c2ccccc2)cc1 ZINC000121624778 823218262 /nfs/dbraw/zinc/21/82/62/823218262.db2.gz HCQZYFSRISIMDG-JWQCQUIFSA-N 1 1 390.527 4.031 20 0 GIADMO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459573518 823222953 /nfs/dbraw/zinc/22/29/53/823222953.db2.gz RBEAPWITXLVCQA-WMZHIEFXSA-N 1 1 397.515 4.061 20 0 GIADMO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000121638504 823220598 /nfs/dbraw/zinc/22/05/98/823220598.db2.gz SVGPJWJDLUYMNS-LSDHHAIUSA-N 1 1 395.469 4.425 20 0 GIADMO CCCCOc1cccc(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000056847680 823223074 /nfs/dbraw/zinc/22/30/74/823223074.db2.gz CXSUJGFRUKTEFK-UHFFFAOYSA-N 1 1 375.557 4.127 20 0 GIADMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H](C)C1 ZINC000459563783 823221316 /nfs/dbraw/zinc/22/13/16/823221316.db2.gz VKNZFVYXUDBMLH-MSYCTHLASA-N 1 1 393.579 4.222 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2Br)cc1F ZINC000409452920 823222267 /nfs/dbraw/zinc/22/22/67/823222267.db2.gz LGGUBSZUOGCHLD-UHFFFAOYSA-N 1 1 388.240 4.012 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000409454674 823222708 /nfs/dbraw/zinc/22/27/08/823222708.db2.gz SYDCFOGOAXNCLW-DNVCBOLYSA-N 1 1 379.891 4.454 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000459554762 823219226 /nfs/dbraw/zinc/21/92/26/823219226.db2.gz AUGBBAFYGDRAJZ-HXUWFJFHSA-N 1 1 380.532 4.409 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000459554761 823219252 /nfs/dbraw/zinc/21/92/52/823219252.db2.gz AUGBBAFYGDRAJZ-FQEVSTJZSA-N 1 1 380.532 4.409 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCCOc2cccc(C)c2)cc1F ZINC000409457932 823223570 /nfs/dbraw/zinc/22/35/70/823223570.db2.gz XSAKKCNRSWISPR-UHFFFAOYSA-N 1 1 395.478 4.494 20 0 GIADMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1C(C)(C)C ZINC000188350215 823223824 /nfs/dbraw/zinc/22/38/24/823223824.db2.gz HTUFWLRFCGKFOP-XMMPIXPASA-N 1 1 395.547 4.085 20 0 GIADMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000121657832 823224123 /nfs/dbraw/zinc/22/41/23/823224123.db2.gz PLTCKMIEPYBRHZ-NSHDSACASA-N 1 1 387.368 4.224 20 0 GIADMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000121657832 823224126 /nfs/dbraw/zinc/22/41/26/823224126.db2.gz PLTCKMIEPYBRHZ-NSHDSACASA-N 1 1 387.368 4.224 20 0 GIADMO O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459576863 823224066 /nfs/dbraw/zinc/22/40/66/823224066.db2.gz LIIZQBZFLVDICH-CAFNADMSSA-N 1 1 393.527 4.141 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000056866354 823225570 /nfs/dbraw/zinc/22/55/70/823225570.db2.gz VCBJENFFJQMULU-HNNXBMFYSA-N 1 1 383.483 4.111 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc4ccncc4s3)c2)C[C@@H](C)O1 ZINC000571731877 823226991 /nfs/dbraw/zinc/22/69/91/823226991.db2.gz BHDAEOASQCJSDG-HUUCEWRRSA-N 1 1 381.501 4.158 20 0 GIADMO CC(C)C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cnn(C)c1 ZINC000459596134 823227265 /nfs/dbraw/zinc/22/72/65/823227265.db2.gz NHTNJNDHNKDBHS-UHFFFAOYSA-N 1 1 390.531 4.108 20 0 GIADMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cnn(C)c1 ZINC000459596134 823227268 /nfs/dbraw/zinc/22/72/68/823227268.db2.gz NHTNJNDHNKDBHS-UHFFFAOYSA-N 1 1 390.531 4.108 20 0 GIADMO COC(=O)c1ccccc1CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000459598764 823227628 /nfs/dbraw/zinc/22/76/28/823227628.db2.gz WAHOFWLARKVVAF-SFHVURJKSA-N 1 1 389.293 4.010 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000056893143 823228886 /nfs/dbraw/zinc/22/88/86/823228886.db2.gz QLMCDVKNGBTUHX-UHFFFAOYSA-N 1 1 387.568 4.270 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409478594 823230246 /nfs/dbraw/zinc/23/02/46/823230246.db2.gz GDBRHGMXMZXZHB-KGLIPLIRSA-N 1 1 378.303 4.141 20 0 GIADMO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccccc2)cs1 ZINC000176541710 823232892 /nfs/dbraw/zinc/23/28/92/823232892.db2.gz VGLCEPRNDAVDNO-MIGBEJBISA-N 1 1 384.549 4.186 20 0 GIADMO CC[C@H](C(=O)Nc1ccccc1NC(=O)NC(C)C)[N@@H+](C)Cc1ccccc1 ZINC000571772330 823232940 /nfs/dbraw/zinc/23/29/40/823232940.db2.gz MQHHRZLKNJCXFP-HXUWFJFHSA-N 1 1 382.508 4.066 20 0 GIADMO O=C(CC[N@H+]1CCSC2(CCC2)CC1)Nc1ccccc1Br ZINC000411871263 823611687 /nfs/dbraw/zinc/61/16/87/823611687.db2.gz QRCDTLJWZNYUGZ-UHFFFAOYSA-N 1 1 383.355 4.139 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)c1cncc(F)c1 ZINC000459621162 823230960 /nfs/dbraw/zinc/23/09/60/823230960.db2.gz JTJXWXPPBXXOPA-WOPDTQHZSA-N 1 1 386.496 4.468 20 0 GIADMO CCc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C)c2cncc(F)c2)c2cccs2)cc1 ZINC000459622700 823231271 /nfs/dbraw/zinc/23/12/71/823231271.db2.gz QKFKVVDOGGUXEN-OYHNWAKOSA-N 1 1 397.519 4.401 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000459630359 823232695 /nfs/dbraw/zinc/23/26/95/823232695.db2.gz GEYYWLJUCYPFQJ-GHMZBOCLSA-N 1 1 383.439 4.328 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000188396738 823233358 /nfs/dbraw/zinc/23/33/58/823233358.db2.gz OPVZQTUHXNXVCZ-MRXNPFEDSA-N 1 1 379.504 4.438 20 0 GIADMO CCOc1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459640475 823235572 /nfs/dbraw/zinc/23/55/72/823235572.db2.gz LFLTUNYVQMIWSG-SFHVURJKSA-N 1 1 387.442 4.145 20 0 GIADMO C[C@H]1CCCN1C(=O)CC[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000571797647 823235638 /nfs/dbraw/zinc/23/56/38/823235638.db2.gz QFCFTNNSFLITLJ-AWEZNQCLSA-N 1 1 389.952 4.223 20 0 GIADMO COc1ccc(-n2ccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)n2)cc1 ZINC000121724695 823237723 /nfs/dbraw/zinc/23/77/23/823237723.db2.gz GXPAKVPHOZSOLI-OAQYLSRUSA-N 1 1 375.472 4.417 20 0 GIADMO FC(F)OC[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000571805493 823236890 /nfs/dbraw/zinc/23/68/90/823236890.db2.gz FIHJDJJRPXDNRX-SFHVURJKSA-N 1 1 398.457 4.055 20 0 GIADMO COc1ccc(OCCC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459644892 823236958 /nfs/dbraw/zinc/23/69/58/823236958.db2.gz PSOWNHOVLFBWOD-SFHVURJKSA-N 1 1 387.442 4.145 20 0 GIADMO Fc1ccc(-c2noc(CCC[NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)n2)cc1 ZINC000188448991 823242419 /nfs/dbraw/zinc/24/24/19/823242419.db2.gz FUUBCMFNYUCHGM-LJQANCHMSA-N 1 1 395.413 4.050 20 0 GIADMO CC(C)(C)c1cnc(CCC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000188426083 823239407 /nfs/dbraw/zinc/23/94/07/823239407.db2.gz TVAKNABZGAARPZ-UHFFFAOYSA-N 1 1 383.536 4.028 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(C)C)C1 ZINC000188433481 823240461 /nfs/dbraw/zinc/24/04/61/823240461.db2.gz BVWCANVKMBBULD-LJQANCHMSA-N 1 1 382.552 4.108 20 0 GIADMO C[C@H]1C[C@H](NC(=O)CCCc2nc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000176582945 823241678 /nfs/dbraw/zinc/24/16/78/823241678.db2.gz YMZXXORWCHMZGV-AZUAARDMSA-N 1 1 390.531 4.055 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)c2nc(Cl)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176583402 823242154 /nfs/dbraw/zinc/24/21/54/823242154.db2.gz GLRUPOHBZYTSNW-UKRRQHHQSA-N 1 1 378.303 4.171 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nccn1Cc1ccccc1)c1ccco1 ZINC000121752149 823243384 /nfs/dbraw/zinc/24/33/84/823243384.db2.gz RGSAJOJSQPISIE-RTWAWAEBSA-N 1 1 379.504 4.393 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1nccn1Cc1ccccc1)c1ccco1 ZINC000121752149 823243386 /nfs/dbraw/zinc/24/33/86/823243386.db2.gz RGSAJOJSQPISIE-RTWAWAEBSA-N 1 1 379.504 4.393 20 0 GIADMO COc1cc2nc(C[N@@H+](C)[C@@H]3CCC[C@@H]3c3ccccc3)[nH]c(=O)c2cc1OC ZINC000459671492 823247357 /nfs/dbraw/zinc/24/73/57/823247357.db2.gz GTBQDSPTXNPRAB-VQIMIIECSA-N 1 1 393.487 4.121 20 0 GIADMO COc1ccc(Br)c(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1 ZINC000571842751 823243711 /nfs/dbraw/zinc/24/37/11/823243711.db2.gz MFUWNVYXQXZSIE-AWEZNQCLSA-N 1 1 393.329 4.010 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3ccccn3)cc2)[C@H](C)C1 ZINC000571844181 823244148 /nfs/dbraw/zinc/24/41/48/823244148.db2.gz DZINQDHYDXEWHB-WIYYLYMNSA-N 1 1 396.535 4.007 20 0 GIADMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1SC ZINC000459664274 823245043 /nfs/dbraw/zinc/24/50/43/823245043.db2.gz FSKBQJATNVCFIT-YJBOKZPZSA-N 1 1 385.533 4.202 20 0 GIADMO Cc1sc(CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc1C(C)C ZINC000571849495 823245124 /nfs/dbraw/zinc/24/51/24/823245124.db2.gz TXJOTRYLDMWFKM-AEFFLSMTSA-N 1 1 377.598 4.230 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459673000 823247750 /nfs/dbraw/zinc/24/77/50/823247750.db2.gz LNMMQMMVTVLLBP-JMUQELJHSA-N 1 1 390.527 4.105 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459673000 823247751 /nfs/dbraw/zinc/24/77/51/823247751.db2.gz LNMMQMMVTVLLBP-JMUQELJHSA-N 1 1 390.527 4.105 20 0 GIADMO CCC(=O)c1ccc(OCCCCC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000409544708 823246710 /nfs/dbraw/zinc/24/67/10/823246710.db2.gz TTZMLKJIGMFBLX-UYAOXDASSA-N 1 1 388.552 4.160 20 0 GIADMO Cc1c(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cccc1-c1ncco1 ZINC000571855848 823246631 /nfs/dbraw/zinc/24/66/31/823246631.db2.gz UIVZEWIQKPUZSD-IBGZPJMESA-N 1 1 390.487 4.436 20 0 GIADMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000571871916 823248015 /nfs/dbraw/zinc/24/80/15/823248015.db2.gz PYEBCZFOODBJMS-SFHVURJKSA-N 1 1 384.398 4.258 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000057088449 823248436 /nfs/dbraw/zinc/24/84/36/823248436.db2.gz YMIHOBUBYFJSKB-SFHVURJKSA-N 1 1 375.472 4.100 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+](C)[C@H]3CCC[C@@H]3c3ccccc3)nc2c1 ZINC000571881377 823249422 /nfs/dbraw/zinc/24/94/22/823249422.db2.gz BJNCBFCOEQRYNG-QUCCMNQESA-N 1 1 398.528 4.390 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+](C)[C@H]3CCC[C@@H]3c3ccccc3)nc2c1 ZINC000571881377 823249425 /nfs/dbraw/zinc/24/94/25/823249425.db2.gz BJNCBFCOEQRYNG-QUCCMNQESA-N 1 1 398.528 4.390 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@H](C)c2ccccc2Cl)cn1 ZINC000057118142 823250529 /nfs/dbraw/zinc/25/05/29/823250529.db2.gz APCBNEBQHKYMHM-CQSZACIVSA-N 1 1 383.883 4.132 20 0 GIADMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1c(O)cc(Br)cc1Cl ZINC000571900817 823251277 /nfs/dbraw/zinc/25/12/77/823251277.db2.gz XBIVEJVGESVKPD-LLVKDONJSA-N 1 1 375.694 4.011 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)Nc1cc(Cl)ccc1F ZINC000121797426 823253349 /nfs/dbraw/zinc/25/33/49/823253349.db2.gz YIPFKJBUBJZYAZ-QAPCUYQASA-N 1 1 394.874 4.379 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1)Nc1cc(Cl)ccc1F ZINC000121797426 823253350 /nfs/dbraw/zinc/25/33/50/823253350.db2.gz YIPFKJBUBJZYAZ-QAPCUYQASA-N 1 1 394.874 4.379 20 0 GIADMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)o1 ZINC000571916120 823253555 /nfs/dbraw/zinc/25/35/55/823253555.db2.gz RGDHHPDJSOCSEL-ZWKOTPCHSA-N 1 1 394.475 4.091 20 0 GIADMO COc1cc(-c2noc(C[N@H+]3C[C@@H](C)CC(C)(C)C3)n2)ccc1OC(F)F ZINC000571920537 823254247 /nfs/dbraw/zinc/25/42/47/823254247.db2.gz XJLJUJBHBLXOJK-LBPRGKRZSA-N 1 1 381.423 4.215 20 0 GIADMO CN(C(=O)c1ccc(NC/C=C/c2ccc(F)c(F)c2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000571923937 823254855 /nfs/dbraw/zinc/25/48/55/823254855.db2.gz HMURXWPJFNTDKK-GECPCNCSSA-N 1 1 399.485 4.256 20 0 GIADMO CC[C@H](c1nnc(SCc2cccc(C)n2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000571924596 823254904 /nfs/dbraw/zinc/25/49/04/823254904.db2.gz RELNROLOPMLYDR-LJQANCHMSA-N 1 1 397.548 4.284 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3cccc4c3CCCC4)c2)CCO1 ZINC000409599740 823258413 /nfs/dbraw/zinc/25/84/13/823258413.db2.gz QJKMAICBSLGXJF-GOSISDBHSA-N 1 1 393.531 4.108 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3cccc4c3CCCC4)c2)CCO1 ZINC000409599740 823258418 /nfs/dbraw/zinc/25/84/18/823258418.db2.gz QJKMAICBSLGXJF-GOSISDBHSA-N 1 1 393.531 4.108 20 0 GIADMO Brc1cccc(-c2cnc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)o2)c1 ZINC000459741268 823259212 /nfs/dbraw/zinc/25/92/12/823259212.db2.gz YGUSCBDSIXXOQX-CVEARBPZSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1cccc(-c2cnc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)o2)c1 ZINC000459741268 823259217 /nfs/dbraw/zinc/25/92/17/823259217.db2.gz YGUSCBDSIXXOQX-CVEARBPZSA-N 1 1 389.293 4.105 20 0 GIADMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000571955261 823259617 /nfs/dbraw/zinc/25/96/17/823259617.db2.gz TWQCKVQDPGEKMX-CQSZACIVSA-N 1 1 397.997 4.400 20 0 GIADMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000571955260 823259733 /nfs/dbraw/zinc/25/97/33/823259733.db2.gz TWQCKVQDPGEKMX-AWEZNQCLSA-N 1 1 397.997 4.400 20 0 GIADMO Cc1cnc([C@@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC000459748830 823259840 /nfs/dbraw/zinc/25/98/40/823259840.db2.gz IGGVGXLZFYZPDB-RVSNTGDXSA-N 1 1 390.506 4.243 20 0 GIADMO Cc1cnc([C@@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC000459748830 823259845 /nfs/dbraw/zinc/25/98/45/823259845.db2.gz IGGVGXLZFYZPDB-RVSNTGDXSA-N 1 1 390.506 4.243 20 0 GIADMO COc1ccc(C[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cc1C ZINC000571961670 823260949 /nfs/dbraw/zinc/26/09/49/823260949.db2.gz XNXNRYQAZVLDMU-UHFFFAOYSA-N 1 1 397.563 4.120 20 0 GIADMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000459757669 823261295 /nfs/dbraw/zinc/26/12/95/823261295.db2.gz HOTIGSLLNNAOLA-IIBYNOLFSA-N 1 1 397.519 4.051 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2nc(C(C)(C)C)cs2)cc1F ZINC000409621304 823263781 /nfs/dbraw/zinc/26/37/81/823263781.db2.gz RDYCFCWAHQSSKZ-UHFFFAOYSA-N 1 1 387.484 4.396 20 0 GIADMO C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000176689453 823268762 /nfs/dbraw/zinc/26/87/62/823268762.db2.gz SMLHEMBVQKCGJY-YALNPMBYSA-N 1 1 399.362 4.103 20 0 GIADMO CCCN(C(=O)c1cccc(C2CC2)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000572012411 823269387 /nfs/dbraw/zinc/26/93/87/823269387.db2.gz ZVFBBSZPDLRDCP-UHFFFAOYSA-N 1 1 392.547 4.492 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000409623903 823264579 /nfs/dbraw/zinc/26/45/79/823264579.db2.gz JVUYQPNMMARSRI-NRFANRHFSA-N 1 1 396.922 4.062 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1)c1ccco1 ZINC000121861810 823264977 /nfs/dbraw/zinc/26/49/77/823264977.db2.gz XOHLCWXNJIVHPI-ZWKOTPCHSA-N 1 1 385.439 4.337 20 0 GIADMO COc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459786878 823265164 /nfs/dbraw/zinc/26/51/64/823265164.db2.gz XZZCNZXFGQXEIL-AEFFLSMTSA-N 1 1 399.560 4.449 20 0 GIADMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459801761 823266141 /nfs/dbraw/zinc/26/61/41/823266141.db2.gz HIXCUNCHWCVQEY-QWHCGFSZSA-N 1 1 379.888 4.361 20 0 GIADMO Brc1ccc2oc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000571989368 823266245 /nfs/dbraw/zinc/26/62/45/823266245.db2.gz YIGGOCMXCNNJIM-DOTOQJQBSA-N 1 1 377.282 4.124 20 0 GIADMO Brc1ccc2oc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000571989368 823266248 /nfs/dbraw/zinc/26/62/48/823266248.db2.gz YIGGOCMXCNNJIM-DOTOQJQBSA-N 1 1 377.282 4.124 20 0 GIADMO CCCCOc1ccc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1OCC ZINC000057221789 823266547 /nfs/dbraw/zinc/26/65/47/823266547.db2.gz DVGXUMAAEDMIRT-UHFFFAOYSA-N 1 1 394.475 4.406 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459807629 823266607 /nfs/dbraw/zinc/26/66/07/823266607.db2.gz NUDWVXWMTREGMQ-IAGOWNOFSA-N 1 1 376.541 4.355 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000121873733 823267709 /nfs/dbraw/zinc/26/77/09/823267709.db2.gz VVRFJCCJWKAXJI-UHFFFAOYSA-N 1 1 383.323 4.163 20 0 GIADMO C[C@@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000571999719 823267929 /nfs/dbraw/zinc/26/79/29/823267929.db2.gz HEEGGBGFVQLUKV-MWLCHTKSSA-N 1 1 397.755 4.038 20 0 GIADMO C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000571999719 823267932 /nfs/dbraw/zinc/26/79/32/823267932.db2.gz HEEGGBGFVQLUKV-MWLCHTKSSA-N 1 1 397.755 4.038 20 0 GIADMO CC(C)(C)c1ncsc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000176687451 823268025 /nfs/dbraw/zinc/26/80/25/823268025.db2.gz GVGRRGHYBHOHGC-AWEZNQCLSA-N 1 1 377.579 4.144 20 0 GIADMO 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/nfs/dbraw/zinc/67/26/73/818672673.db2.gz NTSORYSDGUUNER-UHFFFAOYSA-N 1 1 377.513 4.369 20 0 GIADMO CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000572503773 823350706 /nfs/dbraw/zinc/35/07/06/823350706.db2.gz KHSWAQGFKKEPKJ-UHFFFAOYSA-N 1 1 399.922 4.084 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccc1Oc1ccccc1 ZINC000409947844 823350808 /nfs/dbraw/zinc/35/08/08/823350808.db2.gz OSKPNCLMMFKVMX-HXUWFJFHSA-N 1 1 387.483 4.126 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cnc(-c3ccccc3Cl)s2)[C@H](C)C1 ZINC000122449727 823356087 /nfs/dbraw/zinc/35/60/87/823356087.db2.gz JOMJBBUVASQLPH-CJNGLKHVSA-N 1 1 377.941 4.266 20 0 GIADMO CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000460332400 823356424 /nfs/dbraw/zinc/35/64/24/823356424.db2.gz ZBFFHLSULAJRAJ-JXALWOEJSA-N 1 1 394.559 4.389 20 0 GIADMO CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000460332400 823356434 /nfs/dbraw/zinc/35/64/34/823356434.db2.gz ZBFFHLSULAJRAJ-JXALWOEJSA-N 1 1 394.559 4.389 20 0 GIADMO COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCCO4)CC3)cs2)c(OC)c1 ZINC000189124550 823361022 /nfs/dbraw/zinc/36/10/22/823361022.db2.gz MQXKAENBCXOEGZ-IBGZPJMESA-N 1 1 388.533 4.218 20 0 GIADMO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ncnc3cc(Cl)ccc32)cc1 ZINC000021674527 818723763 /nfs/dbraw/zinc/72/37/63/818723763.db2.gz PQXKTWKZBRPDMB-HXUWFJFHSA-N 1 1 382.895 4.077 20 0 GIADMO C[C@H]1CN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CCC1(F)F ZINC000460339977 823358453 /nfs/dbraw/zinc/35/84/53/823358453.db2.gz QYRKCHAYXQJJAM-LPHOPBHVSA-N 1 1 393.522 4.146 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000572548697 823358812 /nfs/dbraw/zinc/35/88/12/823358812.db2.gz JWSMZDMKRCIYAW-UHFFFAOYSA-N 1 1 390.531 4.036 20 0 GIADMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000021822224 818740424 /nfs/dbraw/zinc/74/04/24/818740424.db2.gz MNJUDMMGRLCQMU-UHFFFAOYSA-N 1 1 399.538 4.034 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1nnnn1C1CC1 ZINC000189113904 823359666 /nfs/dbraw/zinc/35/96/66/823359666.db2.gz QWESHULMUJZZND-NWDGAFQWSA-N 1 1 384.465 4.057 20 0 GIADMO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1 ZINC000122475179 823359783 /nfs/dbraw/zinc/35/97/83/823359783.db2.gz BRVXFHFPDBZGEZ-KGLIPLIRSA-N 1 1 380.485 4.008 20 0 GIADMO O=C(c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000021935494 818757342 /nfs/dbraw/zinc/75/73/42/818757342.db2.gz RFSIKVMLVSKXHT-UHFFFAOYSA-N 1 1 396.437 4.399 20 0 GIADMO Cc1csc(C2([NH2+][C@@H](C)C(=O)Nc3cccc(Br)c3)CCC2)n1 ZINC000460355598 823362323 /nfs/dbraw/zinc/36/23/23/823362323.db2.gz WVMFZLPHQIKESK-LBPRGKRZSA-N 1 1 394.338 4.210 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCC[N@H+](Cc3ncc(C)cn3)C2)n1 ZINC000572569982 823363045 /nfs/dbraw/zinc/36/30/45/823363045.db2.gz XZVGKTWOWPCNST-INIZCTEOSA-N 1 1 380.517 4.297 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](Cc3ncc(C)cn3)C2)n1 ZINC000572569982 823363051 /nfs/dbraw/zinc/36/30/51/823363051.db2.gz XZVGKTWOWPCNST-INIZCTEOSA-N 1 1 380.517 4.297 20 0 GIADMO O=C(C1CC[NH+](Cc2cc(Cl)ccc2OC2CCCC2)CC1)N1CCCC1 ZINC000122495278 823363176 /nfs/dbraw/zinc/36/31/76/823363176.db2.gz WGZKVRQMYDJTBS-UHFFFAOYSA-N 1 1 390.955 4.496 20 0 GIADMO CCCC[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000409987634 823363592 /nfs/dbraw/zinc/36/35/92/823363592.db2.gz SBRYMXFGRIUENX-OAHLLOKOSA-N 1 1 381.358 4.356 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000177067682 823363680 /nfs/dbraw/zinc/36/36/80/823363680.db2.gz KEHZUDVYDLNTCB-LSDHHAIUSA-N 1 1 375.538 4.422 20 0 GIADMO C[N@@H+](CCNC(=O)c1ccc(C2SCCS2)cc1)Cc1ccc(F)cc1 ZINC000177068348 823363883 /nfs/dbraw/zinc/36/38/83/823363883.db2.gz PFIAPLVTNKKOSS-UHFFFAOYSA-N 1 1 390.549 4.166 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000122503232 823364430 /nfs/dbraw/zinc/36/44/30/823364430.db2.gz BCTAIANWXVEMNN-HSZRJFAPSA-N 1 1 394.446 4.161 20 0 GIADMO CCOC(=O)CCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022443896 818807221 /nfs/dbraw/zinc/80/72/21/818807221.db2.gz DDKNITHKXIZNRR-UHFFFAOYSA-N 1 1 380.532 4.127 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000460367390 823365566 /nfs/dbraw/zinc/36/55/66/823365566.db2.gz VUNJXZKTDSUJTO-MWTRTKDXSA-N 1 1 376.479 4.478 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000460367390 823365572 /nfs/dbraw/zinc/36/55/72/823365572.db2.gz VUNJXZKTDSUJTO-MWTRTKDXSA-N 1 1 376.479 4.478 20 0 GIADMO COc1cccc(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000022546506 818823126 /nfs/dbraw/zinc/82/31/26/818823126.db2.gz DXUDVDWEWJBTQR-UHFFFAOYSA-N 1 1 379.529 4.137 20 0 GIADMO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000022611050 818833499 /nfs/dbraw/zinc/83/34/99/818833499.db2.gz NMFDTQSNANUOCD-UHFFFAOYSA-N 1 1 381.278 4.481 20 0 GIADMO CNc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)s1 ZINC000572600425 823367759 /nfs/dbraw/zinc/36/77/59/823367759.db2.gz UQHMILMBBXOLAJ-UHFFFAOYSA-N 1 1 398.359 4.491 20 0 GIADMO C[N@H+]1CCN(Cn2c(CCC3CCCC3)n[nH]c2=S)[C@@H](c2ccccc2)C1 ZINC000058205863 823368807 /nfs/dbraw/zinc/36/88/07/823368807.db2.gz GJWUYZJBGPWHKR-LJQANCHMSA-N 1 1 385.581 4.010 20 0 GIADMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022772158 818858827 /nfs/dbraw/zinc/85/88/27/818858827.db2.gz UWNLDUMPLHMGLT-INIZCTEOSA-N 1 1 382.895 4.269 20 0 GIADMO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000022773817 818859371 /nfs/dbraw/zinc/85/93/71/818859371.db2.gz JQKMVWSGOQOONC-NRFANRHFSA-N 1 1 379.548 4.065 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2noc(-c3ccc(F)cc3F)n2)cc1 ZINC000189168701 823369271 /nfs/dbraw/zinc/36/92/71/823369271.db2.gz HNBQEXSBSKHSPM-CYBMUJFWSA-N 1 1 395.413 4.360 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000122565901 823373732 /nfs/dbraw/zinc/37/37/32/823373732.db2.gz GBGVREPWIKMRLZ-WIYYLYMNSA-N 1 1 396.531 4.077 20 0 GIADMO CCCOc1ccc(C(F)(F)F)cc1NC(=O)NCCCn1cc[nH+]c1C ZINC000410006682 823369882 /nfs/dbraw/zinc/36/98/82/823369882.db2.gz IIIIVOPIJNFBBH-UHFFFAOYSA-N 1 1 384.402 4.211 20 0 GIADMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189181038 823371182 /nfs/dbraw/zinc/37/11/82/823371182.db2.gz HTONXHBGSAXPOL-RDTXWAMCSA-N 1 1 375.900 4.266 20 0 GIADMO O=c1[nH]c(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)nc2ccc(Cl)cc12 ZINC000023185495 818905455 /nfs/dbraw/zinc/90/54/55/818905455.db2.gz LHJVVFFBQSVWFX-UHFFFAOYSA-N 1 1 392.890 4.437 20 0 GIADMO CC(C)c1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1-c1ccccc1Cl ZINC000189187195 823372480 /nfs/dbraw/zinc/37/24/80/823372480.db2.gz BGWNMVYXQMOEMM-LSDHHAIUSA-N 1 1 386.927 4.004 20 0 GIADMO CCN(CC)c1ncc(C[NH2+]Cc2ccc(Br)cc2OC)s1 ZINC000189187635 823372749 /nfs/dbraw/zinc/37/27/49/823372749.db2.gz LAWBTAQWHVMYLG-UHFFFAOYSA-N 1 1 384.343 4.050 20 0 GIADMO COc1ccc(CN(C(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)C2CC2)cc1 ZINC000023355625 818927042 /nfs/dbraw/zinc/92/70/42/818927042.db2.gz QXOUMIANCYMIID-OAHLLOKOSA-N 1 1 388.458 4.157 20 0 GIADMO COc1ccc(CN(C(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)C2CC2)cc1 ZINC000023355625 818927047 /nfs/dbraw/zinc/92/70/47/818927047.db2.gz QXOUMIANCYMIID-OAHLLOKOSA-N 1 1 388.458 4.157 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000023356026 818927877 /nfs/dbraw/zinc/92/78/77/818927877.db2.gz WJDSZCJKRMICHN-YBOAYWMSSA-N 1 1 375.459 4.413 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000122576547 823375747 /nfs/dbraw/zinc/37/57/47/823375747.db2.gz ZNLCHOXCNMCRQK-INIZCTEOSA-N 1 1 378.501 4.056 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000122576547 823375753 /nfs/dbraw/zinc/37/57/53/823375753.db2.gz ZNLCHOXCNMCRQK-INIZCTEOSA-N 1 1 378.501 4.056 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccncc2)cc1)c1ccco1 ZINC000177121310 823376255 /nfs/dbraw/zinc/37/62/55/823376255.db2.gz WXFRILAVMNUGJQ-UNMCSNQZSA-N 1 1 378.472 4.342 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)[C@H](C)C1 ZINC000122580533 823376352 /nfs/dbraw/zinc/37/63/52/823376352.db2.gz WFSORARAXBMGLI-APWZRJJASA-N 1 1 398.551 4.128 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1F ZINC000572655415 823376417 /nfs/dbraw/zinc/37/64/17/823376417.db2.gz ASCLQLYEOLDFED-MRXNPFEDSA-N 1 1 376.422 4.136 20 0 GIADMO Cc1ccccc1-c1nnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1C1CC1 ZINC000572654500 823376589 /nfs/dbraw/zinc/37/65/89/823376589.db2.gz FGQZRIFGCKODBG-UTKZUKDTSA-N 1 1 377.536 4.042 20 0 GIADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CCc3nc4ccccc4o3)CC2)cc1 ZINC000023642922 818969859 /nfs/dbraw/zinc/96/98/59/818969859.db2.gz QBBZRUOGUQDIBR-UHFFFAOYSA-N 1 1 391.515 4.228 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1cc(SC)ccc1Cl)[NH+](C)C ZINC000023691828 818974234 /nfs/dbraw/zinc/97/42/34/818974234.db2.gz SHQPDCBPXPKAJE-QGZVFWFLSA-N 1 1 378.925 4.103 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1ccc(OCc2ccccc2)nc1)c1nnc2ccccn21 ZINC000572659667 823377629 /nfs/dbraw/zinc/37/76/29/823377629.db2.gz MDTKLLWOUHPGKJ-QFIPXVFZSA-N 1 1 387.487 4.190 20 0 GIADMO CCc1noc(-c2ccc(C)c(NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)c2)n1 ZINC000177150543 823383797 /nfs/dbraw/zinc/38/37/97/823383797.db2.gz WEMNLULHNGLKMD-QGZVFWFLSA-N 1 1 399.539 4.384 20 0 GIADMO Cc1nc2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1Cc1ccsc1 ZINC000410070507 823383768 /nfs/dbraw/zinc/38/37/68/823383768.db2.gz YERYESFXCMWLIU-HNAYVOBHSA-N 1 1 396.560 4.009 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)c2nnc(C3CCC3)n2CCc2ccccc2)C[C@H]1C ZINC000460414464 823381387 /nfs/dbraw/zinc/38/13/87/823381387.db2.gz AWVCZWHTILKARG-WIYYLYMNSA-N 1 1 381.568 4.097 20 0 GIADMO c1ccc(CC[N@H+](CCCc2nc(-c3ccccc3)no2)[C@@H]2CCOC2)cc1 ZINC000177145719 823382403 /nfs/dbraw/zinc/38/24/03/823382403.db2.gz QPFCHKNIFFFWJH-OAQYLSRUSA-N 1 1 377.488 4.003 20 0 GIADMO COc1cccc([C@H](C)CC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000177148213 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ZINC000058575769 823411786 /nfs/dbraw/zinc/41/17/86/823411786.db2.gz HXLSAPYKNAIWFU-UHFFFAOYSA-N 1 1 380.532 4.229 20 0 GIADMO C[N@@H+](CCCc1ccccc1)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000058580809 823412051 /nfs/dbraw/zinc/41/20/51/823412051.db2.gz HNVFJQLAFIPUCQ-UHFFFAOYSA-N 1 1 376.500 4.373 20 0 GIADMO C[N@@H+](CCOc1cccc2ccccc21)C1CCN(CCc2ccccn2)CC1 ZINC000177259010 823412367 /nfs/dbraw/zinc/41/23/67/823412367.db2.gz GYDPGEZSUIJBFM-UHFFFAOYSA-N 1 1 389.543 4.253 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1c[nH]nc1-c1ccccc1F)Cc1ccncc1 ZINC000572886869 823413966 /nfs/dbraw/zinc/41/39/66/823413966.db2.gz FGNPNXLTECTQKD-HXUWFJFHSA-N 1 1 393.510 4.097 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2nc3ccccc3cc2Br)c2ccccc2C1 ZINC000572849296 823409105 /nfs/dbraw/zinc/40/91/05/823409105.db2.gz QGSPEEOHMTVCPN-UHFFFAOYSA-N 1 1 396.288 4.090 20 0 GIADMO C[N@H+]1CCN(C(=O)c2nc3ccccc3cc2Br)c2ccccc2C1 ZINC000572849296 823409107 /nfs/dbraw/zinc/40/91/07/823409107.db2.gz QGSPEEOHMTVCPN-UHFFFAOYSA-N 1 1 396.288 4.090 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000122800177 823414442 /nfs/dbraw/zinc/41/44/42/823414442.db2.gz BXHPYVOFGAMBNJ-MRXNPFEDSA-N 1 1 390.528 4.133 20 0 GIADMO COc1cc2c(cc1C[N@H+](Cc1ccccc1)C1CCN(C)CC1)O[C@@H](C)C2 ZINC000572887725 823414530 /nfs/dbraw/zinc/41/45/30/823414530.db2.gz YYILVSKLNKFKRJ-SFHVURJKSA-N 1 1 380.532 4.115 20 0 GIADMO COc1cc2c(cc1C[N@@H+](Cc1ccccc1)C1CCN(C)CC1)O[C@@H](C)C2 ZINC000572887725 823414532 /nfs/dbraw/zinc/41/45/32/823414532.db2.gz YYILVSKLNKFKRJ-SFHVURJKSA-N 1 1 380.532 4.115 20 0 GIADMO CC(C)Oc1cccc(CN(C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000122802044 823414579 /nfs/dbraw/zinc/41/45/79/823414579.db2.gz FVNFEQYXRFCPEE-IBGZPJMESA-N 1 1 375.557 4.127 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccccc1 ZINC000177267527 823415177 /nfs/dbraw/zinc/41/51/77/823415177.db2.gz RJDZQXHCZIJNDL-GCJKJVERSA-N 1 1 376.504 4.133 20 0 GIADMO CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2c(Cl)oc3ccccc32)c1 ZINC000572893217 823415251 /nfs/dbraw/zinc/41/52/51/823415251.db2.gz TVCJYDLHMZNAPP-UHFFFAOYSA-N 1 1 392.908 4.063 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000572898340 823416417 /nfs/dbraw/zinc/41/64/17/823416417.db2.gz UYHIZGCQGVMPHH-HNNXBMFYSA-N 1 1 390.959 4.052 20 0 GIADMO CN(Cc1nc(-c2cccnc2)no1)c1cc[nH+]c2ccc(Br)cc21 ZINC000572896730 823416490 /nfs/dbraw/zinc/41/64/90/823416490.db2.gz FBKVYQDWLLWRIR-UHFFFAOYSA-N 1 1 396.248 4.079 20 0 GIADMO C[N@@H+](CCCNC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1ccccc1 ZINC000410197032 823416754 /nfs/dbraw/zinc/41/67/54/823416754.db2.gz BWHIWAFNGPSAEA-UHFFFAOYSA-N 1 1 397.416 4.166 20 0 GIADMO COc1ccc(F)c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000572903114 823417199 /nfs/dbraw/zinc/41/71/99/823417199.db2.gz AAWCABWXWIEFEV-INIZCTEOSA-N 1 1 377.765 4.330 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C3CC3)CC2)[C@H]1c1cccs1 ZINC000460525108 823419312 /nfs/dbraw/zinc/41/93/12/823419312.db2.gz HOLXIFOBIPBJKA-LPHOPBHVSA-N 1 1 375.582 4.353 20 0 GIADMO CO[C@](C)(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000572928897 823421721 /nfs/dbraw/zinc/42/17/21/823421721.db2.gz RGPVMAPNKWTBLP-YKSBVNFPSA-N 1 1 398.522 4.106 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(-c2ccncc2)cc1 ZINC000460528580 823420543 /nfs/dbraw/zinc/42/05/43/823420543.db2.gz MSLPVHSVJFPAQG-LJQANCHMSA-N 1 1 388.515 4.068 20 0 GIADMO C[C@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)Cc1cccs1 ZINC000460528752 823420969 /nfs/dbraw/zinc/42/09/69/823420969.db2.gz QFJXJPFTXPLEKD-TYPHKJRUSA-N 1 1 397.588 4.090 20 0 GIADMO COCCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000189474403 823425047 /nfs/dbraw/zinc/42/50/47/823425047.db2.gz JJUMTODVZVNLMY-FXAWDEMLSA-N 1 1 387.549 4.142 20 0 GIADMO CC[N@@H+](Cc1ccc(-c2nc(-c3cccc4c3NC(=O)C4)no2)cc1)C(C)C ZINC000572951948 823425916 /nfs/dbraw/zinc/42/59/16/823425916.db2.gz IJJHTPMIJJLCCO-UHFFFAOYSA-N 1 1 376.460 4.129 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)CCC3)[C@@H]1c1cccs1 ZINC000177310582 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395.286 4.412 20 0 GIADMO COc1cc(C)c(C[N@H+](C)CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1OC ZINC000024805549 819879554 /nfs/dbraw/zinc/87/95/54/819879554.db2.gz KPRWRCRVXCDFPR-DEOSSOPVSA-N 1 1 396.531 4.020 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)cc1OC ZINC000024805549 819879563 /nfs/dbraw/zinc/87/95/63/819879563.db2.gz KPRWRCRVXCDFPR-DEOSSOPVSA-N 1 1 396.531 4.020 20 0 GIADMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000024806435 819879832 /nfs/dbraw/zinc/87/98/32/819879832.db2.gz OBLXGQXKDHEGLG-MRXNPFEDSA-N 1 1 393.487 4.019 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000024806435 819879850 /nfs/dbraw/zinc/87/98/50/819879850.db2.gz OBLXGQXKDHEGLG-MRXNPFEDSA-N 1 1 393.487 4.019 20 0 GIADMO CO[C@@H](CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccc(F)cc1 ZINC000122934234 823436225 /nfs/dbraw/zinc/43/62/25/823436225.db2.gz RCVHWHRYGVHEPB-BTYIYWSLSA-N 1 1 396.466 4.068 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC[N@H+]1C ZINC000177331794 823436311 /nfs/dbraw/zinc/43/63/11/823436311.db2.gz CCRCDSIGAADOQO-JXFKEZNVSA-N 1 1 386.540 4.152 20 0 GIADMO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000189525296 823437647 /nfs/dbraw/zinc/43/76/47/823437647.db2.gz WOCHBHBICQQWPU-JKSUJKDBSA-N 1 1 390.578 4.253 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[N@H+]1C ZINC000189527773 823437839 /nfs/dbraw/zinc/43/78/39/823437839.db2.gz IAGCXUZIYIETFM-STQMWFEESA-N 1 1 378.929 4.410 20 0 GIADMO COc1ccc(-c2cc(C[N@H+]3CCCN(Cc4ccc(F)cc4)CC3)on2)cc1 ZINC000025075631 819921363 /nfs/dbraw/zinc/92/13/63/819921363.db2.gz HVVKZDAZIFEHDU-UHFFFAOYSA-N 1 1 395.478 4.197 20 0 GIADMO COc1ccc(-c2cc(CN3CCC[N@H+](Cc4ccc(F)cc4)CC3)on2)cc1 ZINC000025075631 819921374 /nfs/dbraw/zinc/92/13/74/819921374.db2.gz HVVKZDAZIFEHDU-UHFFFAOYSA-N 1 1 395.478 4.197 20 0 GIADMO COc1ccc(-c2cc(CN3CCC[N@@H+](Cc4ccc(F)cc4)CC3)on2)cc1 ZINC000025075631 819921381 /nfs/dbraw/zinc/92/13/81/819921381.db2.gz HVVKZDAZIFEHDU-UHFFFAOYSA-N 1 1 395.478 4.197 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2)C[C@H](C)O1 ZINC000025094129 819927134 /nfs/dbraw/zinc/92/71/34/819927134.db2.gz RXCPBXJWTQTCNN-KDURUIRLSA-N 1 1 378.516 4.101 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2)C[C@H](C)O1 ZINC000025094129 819927144 /nfs/dbraw/zinc/92/71/44/819927144.db2.gz RXCPBXJWTQTCNN-KDURUIRLSA-N 1 1 378.516 4.101 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(COCC3CC3)c2)[C@@H]1c1ccccc1 ZINC000189532427 823438662 /nfs/dbraw/zinc/43/86/62/823438662.db2.gz GCVCJNJVLTXLIS-VXKWHMMOSA-N 1 1 379.504 4.180 20 0 GIADMO Cc1cc([C@H](C)NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)s1 ZINC000025124295 819933026 /nfs/dbraw/zinc/93/30/26/819933026.db2.gz YNKZACBLRJAJLO-UXLLHSPISA-N 1 1 386.561 4.465 20 0 GIADMO Cc1cc([C@H](C)NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)s1 ZINC000025124295 819933031 /nfs/dbraw/zinc/93/30/31/819933031.db2.gz YNKZACBLRJAJLO-UXLLHSPISA-N 1 1 386.561 4.465 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000025233141 819947059 /nfs/dbraw/zinc/94/70/59/819947059.db2.gz IMPOTAOGFPDEHN-QGZVFWFLSA-N 1 1 384.545 4.466 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000025233141 819947063 /nfs/dbraw/zinc/94/70/63/819947063.db2.gz IMPOTAOGFPDEHN-QGZVFWFLSA-N 1 1 384.545 4.466 20 0 GIADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(SC(F)(F)F)cc1 ZINC000025252332 819950697 /nfs/dbraw/zinc/95/06/97/819950697.db2.gz QTSZQMQGKXLZSI-INIZCTEOSA-N 1 1 380.435 4.303 20 0 GIADMO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000025377005 819972358 /nfs/dbraw/zinc/97/23/58/819972358.db2.gz YKMOGPQITVXZCR-IBGZPJMESA-N 1 1 395.547 4.001 20 0 GIADMO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000025377005 819972360 /nfs/dbraw/zinc/97/23/60/819972360.db2.gz YKMOGPQITVXZCR-IBGZPJMESA-N 1 1 395.547 4.001 20 0 GIADMO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000025409874 819976412 /nfs/dbraw/zinc/97/64/12/819976412.db2.gz KDIXBOFUORODAI-CABCVRRESA-N 1 1 387.321 4.073 20 0 GIADMO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000025409874 819976415 /nfs/dbraw/zinc/97/64/15/819976415.db2.gz KDIXBOFUORODAI-CABCVRRESA-N 1 1 387.321 4.073 20 0 GIADMO COC[C@@H](C)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000189553510 823442733 /nfs/dbraw/zinc/44/27/33/823442733.db2.gz KTNICXFZROIJOH-LBPRGKRZSA-N 1 1 380.838 4.290 20 0 GIADMO Cc1c2cc(F)ccc2oc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025461853 819985783 /nfs/dbraw/zinc/98/57/83/819985783.db2.gz SPLCHJGOWWFWFT-UHFFFAOYSA-N 1 1 380.463 4.447 20 0 GIADMO CC(C)[C@H](CNC(=O)c1ccccc1OC(F)F)[N@H+]1CCc2ccccc2C1 ZINC000025540137 820000132 /nfs/dbraw/zinc/00/01/32/820000132.db2.gz RASREIBZXMZLCV-IBGZPJMESA-N 1 1 388.458 4.101 20 0 GIADMO Cc1ccnc(Oc2ccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2)n1 ZINC000177357025 823444213 /nfs/dbraw/zinc/44/42/13/823444213.db2.gz HLAJJMVDRQYWHQ-KRWDZBQOSA-N 1 1 380.492 4.170 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000189563038 823444587 /nfs/dbraw/zinc/44/45/87/823444587.db2.gz JKEZPLDTWLDENT-MAUKXSAKSA-N 1 1 375.419 4.163 20 0 GIADMO C[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000025632650 820008428 /nfs/dbraw/zinc/00/84/28/820008428.db2.gz CYKZUMWOHBQLMV-MRXNPFEDSA-N 1 1 398.597 4.342 20 0 GIADMO CC(C)CCc1nnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1CC(C)C ZINC000460585913 823445096 /nfs/dbraw/zinc/44/50/96/823445096.db2.gz MPKFREYQWXPDNZ-UHFFFAOYSA-N 1 1 398.599 4.440 20 0 GIADMO Cc1nc(-c2ccc(C[NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)s2)cs1 ZINC000025701886 820015943 /nfs/dbraw/zinc/01/59/43/820015943.db2.gz MVPMYVNLGHBATJ-LJQANCHMSA-N 1 1 383.542 4.290 20 0 GIADMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000025702379 820016139 /nfs/dbraw/zinc/01/61/39/820016139.db2.gz ZTJSATMKPBBKNC-QGZVFWFLSA-N 1 1 385.939 4.443 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(OCc3cccc(C)c3)c1)C2 ZINC000573098872 823447016 /nfs/dbraw/zinc/44/70/16/823447016.db2.gz VZFOHEIHGRAVOW-LJQANCHMSA-N 1 1 375.472 4.280 20 0 GIADMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000189572044 823447219 /nfs/dbraw/zinc/44/72/19/823447219.db2.gz SOMJOTFLKCJWSI-LJQANCHMSA-N 1 1 399.966 4.317 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(F)cc2cccnc21 ZINC000025917790 820038528 /nfs/dbraw/zinc/03/85/28/820038528.db2.gz ABAUWHHPDZYOAL-UHFFFAOYSA-N 1 1 381.451 4.233 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(F)cc2cccnc21 ZINC000025917790 820038534 /nfs/dbraw/zinc/03/85/34/820038534.db2.gz ABAUWHHPDZYOAL-UHFFFAOYSA-N 1 1 381.451 4.233 20 0 GIADMO C[C@]([NH2+]Cc1ccc(C(F)(F)F)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177374850 823448690 /nfs/dbraw/zinc/44/86/90/823448690.db2.gz JHKOPXHVJNIRLF-MRXNPFEDSA-N 1 1 390.327 4.215 20 0 GIADMO CC(C)CCO[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000177376628 823448938 /nfs/dbraw/zinc/44/89/38/823448938.db2.gz KLGLNIICCOWFTG-CQSZACIVSA-N 1 1 394.313 4.136 20 0 GIADMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000177376628 823448942 /nfs/dbraw/zinc/44/89/42/823448942.db2.gz KLGLNIICCOWFTG-CQSZACIVSA-N 1 1 394.313 4.136 20 0 GIADMO Cn1c(C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)nc2ccccc21 ZINC000189577027 823449108 /nfs/dbraw/zinc/44/91/08/823449108.db2.gz WAKWIDKHHYESFR-UHFFFAOYSA-N 1 1 392.503 4.114 20 0 GIADMO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000026115192 820059691 /nfs/dbraw/zinc/05/96/91/820059691.db2.gz UCJPJCYSFUAHEI-HXUWFJFHSA-N 1 1 393.314 4.378 20 0 GIADMO COc1cc([C@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000123022995 823449432 /nfs/dbraw/zinc/44/94/32/823449432.db2.gz WLSGYYHCAKHVQS-KRWDZBQOSA-N 1 1 384.520 4.159 20 0 GIADMO C[C@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)[N@H+]1CCc2ccccc2C1 ZINC000026173027 820066734 /nfs/dbraw/zinc/06/67/34/820066734.db2.gz VRVSVJRGHPTYGZ-QRWLVFNGSA-N 1 1 399.535 4.109 20 0 GIADMO Cc1noc(CN2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)n1 ZINC000026201738 820068572 /nfs/dbraw/zinc/06/85/72/820068572.db2.gz ASKXEJALMQKUHH-UHFFFAOYSA-N 1 1 388.924 4.078 20 0 GIADMO CCOc1ccccc1N1CC[NH+](Cc2cc(-c3ccc(OC)cc3)no2)CC1 ZINC000026243986 820073752 /nfs/dbraw/zinc/07/37/52/820073752.db2.gz DWJGFTXHMMTWEX-UHFFFAOYSA-N 1 1 393.487 4.071 20 0 GIADMO C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1c[nH]c2ccccc21 ZINC000573128136 823450904 /nfs/dbraw/zinc/45/09/04/823450904.db2.gz CETIQRGVMWAOAL-HMFYCAOWSA-N 1 1 375.516 4.441 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000026299654 820079008 /nfs/dbraw/zinc/07/90/08/820079008.db2.gz OBYKFCFRDRWKTI-OAHLLOKOSA-N 1 1 377.423 4.254 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000026299654 820079019 /nfs/dbraw/zinc/07/90/19/820079019.db2.gz OBYKFCFRDRWKTI-OAHLLOKOSA-N 1 1 377.423 4.254 20 0 GIADMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)ccc1OC(F)F ZINC000026326883 820084401 /nfs/dbraw/zinc/08/44/01/820084401.db2.gz VGXSLHCIYGAKRR-OAHLLOKOSA-N 1 1 392.446 4.372 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)ccc1OC(F)F ZINC000026326883 820084409 /nfs/dbraw/zinc/08/44/09/820084409.db2.gz VGXSLHCIYGAKRR-OAHLLOKOSA-N 1 1 392.446 4.372 20 0 GIADMO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026335592 820085556 /nfs/dbraw/zinc/08/55/56/820085556.db2.gz BKMIVLVAJHZCAZ-AWEZNQCLSA-N 1 1 382.401 4.024 20 0 GIADMO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026335592 820085570 /nfs/dbraw/zinc/08/55/70/820085570.db2.gz BKMIVLVAJHZCAZ-AWEZNQCLSA-N 1 1 382.401 4.024 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000026364949 820090180 /nfs/dbraw/zinc/09/01/80/820090180.db2.gz XUEPWFRYIJGCJS-HUUCEWRRSA-N 1 1 385.895 4.145 20 0 GIADMO COc1ccc2c(C[N@H+]3CCC[C@@H]3CC(=O)c3cccs3)cc(=O)oc2c1 ZINC000177391498 823452273 /nfs/dbraw/zinc/45/22/73/823452273.db2.gz NOXHDWBRMXCARE-OAHLLOKOSA-N 1 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CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026483192 820103881 /nfs/dbraw/zinc/10/38/81/820103881.db2.gz NYJIFHPXUAEXMT-AWEZNQCLSA-N 1 1 378.419 4.146 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000026483192 820103885 /nfs/dbraw/zinc/10/38/85/820103885.db2.gz NYJIFHPXUAEXMT-AWEZNQCLSA-N 1 1 378.419 4.146 20 0 GIADMO COc1ccc2oc(C[NH2+]Cc3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)cc2c1 ZINC000123060782 823455391 /nfs/dbraw/zinc/45/53/91/823455391.db2.gz RNZYIEORHJMHFM-ROUUACIJSA-N 1 1 394.515 4.340 20 0 GIADMO c1ccc2ncc(CN3CCC[N@@H+](Cc4cnc5ccccc5c4)CC3)cc2c1 ZINC000410310581 823459448 /nfs/dbraw/zinc/45/94/48/823459448.db2.gz MCIAUUAIDUQRKF-UHFFFAOYSA-N 1 1 382.511 4.491 20 0 GIADMO CC(C)NC(=O)Nc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058808987 823456171 /nfs/dbraw/zinc/45/61/71/823456171.db2.gz JPPJVIRKQDCGOW-IBGZPJMESA-N 1 1 394.519 4.067 20 0 GIADMO Cc1ccc(-c2nc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)cs2)n1C ZINC000123068896 823456565 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COc1cccc(C[N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000028852130 820363832 /nfs/dbraw/zinc/36/38/32/820363832.db2.gz SNHXROXEXBBRSY-HSZRJFAPSA-N 1 1 394.540 4.484 20 0 GIADMO COc1ccccc1C[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000028852266 820363959 /nfs/dbraw/zinc/36/39/59/820363959.db2.gz DDGMYRPAPFHSBM-QHCPKHFHSA-N 1 1 394.540 4.484 20 0 GIADMO Cc1ccccc1OCCN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000410360096 823473770 /nfs/dbraw/zinc/47/37/70/823473770.db2.gz PNHOQXKKJOMJII-UHFFFAOYSA-N 1 1 383.536 4.056 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000028887972 820367371 /nfs/dbraw/zinc/36/73/71/820367371.db2.gz JFDGHGUVMBKDFQ-GASCZTMLSA-N 1 1 381.501 4.158 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000028887972 820367379 /nfs/dbraw/zinc/36/73/79/820367379.db2.gz JFDGHGUVMBKDFQ-GASCZTMLSA-N 1 1 381.501 4.158 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000028898192 820369125 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GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000058955046 823475647 /nfs/dbraw/zinc/47/56/47/823475647.db2.gz GXKQBQVLYXUYBW-UONOGXRCSA-N 1 1 375.513 4.108 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1Cl ZINC000029152566 820400940 /nfs/dbraw/zinc/40/09/40/820400940.db2.gz RXIOUQDKZCLDEE-GFCCVEGCSA-N 1 1 380.847 4.128 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cc1Cl ZINC000029152566 820400945 /nfs/dbraw/zinc/40/09/45/820400945.db2.gz RXIOUQDKZCLDEE-GFCCVEGCSA-N 1 1 380.847 4.128 20 0 GIADMO CCOc1ccc(SCC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000029161798 820402721 /nfs/dbraw/zinc/40/27/21/820402721.db2.gz CQANBBUHEVRFFA-UHFFFAOYSA-N 1 1 398.572 4.131 20 0 GIADMO Cc1cc(CNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc(N2CCCC2)[nH+]1 ZINC000573296505 823477849 /nfs/dbraw/zinc/47/78/49/823477849.db2.gz JBGZPTFWOWKGSU-OAQYLSRUSA-N 1 1 396.510 4.046 20 0 GIADMO Cc1ccc([C@H](NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)C2CC2)cc1 ZINC000029481463 820460691 /nfs/dbraw/zinc/46/06/91/820460691.db2.gz VBDZEEFFQMYRFQ-LOSJGSFVSA-N 1 1 392.543 4.008 20 0 GIADMO COc1cc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc(OC)c1 ZINC000410377136 823480654 /nfs/dbraw/zinc/48/06/54/823480654.db2.gz ZYTNLVFKORGBSL-KRWDZBQOSA-N 1 1 397.519 4.257 20 0 GIADMO C[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCc2ccccc21 ZINC000029489210 820463367 /nfs/dbraw/zinc/46/33/67/820463367.db2.gz ASLCDQWBWGRDNA-GOSISDBHSA-N 1 1 386.879 4.059 20 0 GIADMO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@@H+](CC3CC3)C(C)C)c2=S)c1 ZINC000029542170 820473444 /nfs/dbraw/zinc/47/34/44/820473444.db2.gz RCFRLPZXZVUPDJ-UHFFFAOYSA-N 1 1 399.564 4.317 20 0 GIADMO CC(=O)Nc1cccc(-n2c(C3CC3)nn(C[N@H+](CC3CC3)C(C)C)c2=S)c1 ZINC000029542170 820473450 /nfs/dbraw/zinc/47/34/50/820473450.db2.gz RCFRLPZXZVUPDJ-UHFFFAOYSA-N 1 1 399.564 4.317 20 0 GIADMO COCC[N@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)Cc1ccccc1 ZINC000029596433 820480944 /nfs/dbraw/zinc/48/09/44/820480944.db2.gz TXWWHNGVVGPUQT-IBGZPJMESA-N 1 1 376.500 4.166 20 0 GIADMO COCC[N@@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)Cc1ccccc1 ZINC000029596433 820480952 /nfs/dbraw/zinc/48/09/52/820480952.db2.gz TXWWHNGVVGPUQT-IBGZPJMESA-N 1 1 376.500 4.166 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@H]2CCC(C)(C)O2)cs1)c1ccc(F)cc1 ZINC000189732644 823483469 /nfs/dbraw/zinc/48/34/69/823483469.db2.gz XJJQHZQWVICSSA-QGZVFWFLSA-N 1 1 377.485 4.014 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CC1 ZINC000059004468 823482115 /nfs/dbraw/zinc/48/21/15/823482115.db2.gz DJHPRJRFQFYYSM-CMDGGOBGSA-N 1 1 384.442 4.177 20 0 GIADMO C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410383213 823482392 /nfs/dbraw/zinc/48/23/92/823482392.db2.gz NWSBRRLXWYJPCK-OALUTQOASA-N 1 1 383.536 4.332 20 0 GIADMO Cc1cn2nc(NC[C@H](c3c(F)cccc3Cl)[NH+]3CCCC3)sc2n1 ZINC000029622189 820486339 /nfs/dbraw/zinc/48/63/39/820486339.db2.gz OCQXEFQUXHZMNF-CQSZACIVSA-N 1 1 379.892 4.141 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1c[nH]nc1-c1ccccc1 ZINC000029638616 820489632 /nfs/dbraw/zinc/48/96/32/820489632.db2.gz SSIUQIXHXWQPGX-UHFFFAOYSA-N 1 1 381.505 4.162 20 0 GIADMO Cc1cc(OCC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)ccc1Cl ZINC000029636196 820489783 /nfs/dbraw/zinc/48/97/83/820489783.db2.gz RBFQERXQYOCZGK-UHFFFAOYSA-N 1 1 393.940 4.498 20 0 GIADMO O=C(Nc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1)c1ccccc1 ZINC000573355242 823483801 /nfs/dbraw/zinc/48/38/01/823483801.db2.gz IXAUVEVXUZEHJL-XPWALMASSA-N 1 1 377.532 4.339 20 0 GIADMO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000029686692 820497691 /nfs/dbraw/zinc/49/76/91/820497691.db2.gz IYTIJIPKPZOBAI-HZPDHXFCSA-N 1 1 396.922 4.016 20 0 GIADMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000410390378 823484036 /nfs/dbraw/zinc/48/40/36/823484036.db2.gz PGBHEIAIYBGVAI-GOSISDBHSA-N 1 1 393.453 4.248 20 0 GIADMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C(C)C)cc2)C2CC2)cc1 ZINC000029706573 820502427 /nfs/dbraw/zinc/50/24/27/820502427.db2.gz OWEDOHNWZMZSGA-HSZRJFAPSA-N 1 1 396.531 4.173 20 0 GIADMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000177532982 823484425 /nfs/dbraw/zinc/48/44/25/823484425.db2.gz RZUDYHRCQIOSMI-JSGCOSHPSA-N 1 1 388.265 4.470 20 0 GIADMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029715480 820505221 /nfs/dbraw/zinc/50/52/21/820505221.db2.gz NBXUQXOSCIYUNZ-KRWDZBQOSA-N 1 1 376.847 4.009 20 0 GIADMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029718319 820505814 /nfs/dbraw/zinc/50/58/14/820505814.db2.gz NLEJLJSGEBGOLI-CTNGQTDRSA-N 1 1 382.467 4.369 20 0 GIADMO C[C@H](C1CC1)[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000029725319 820507386 /nfs/dbraw/zinc/50/73/86/820507386.db2.gz QNSYPGMSQJZNCI-RDTXWAMCSA-N 1 1 383.517 4.282 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000059058918 823484932 /nfs/dbraw/zinc/48/49/32/823484932.db2.gz FDVPFSHNESPQNZ-NKQFANSYSA-N 1 1 396.575 4.128 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000059058915 823484974 /nfs/dbraw/zinc/48/49/74/823484974.db2.gz FDVPFSHNESPQNZ-ZAKOGJKOSA-N 1 1 396.575 4.128 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000059058915 823484979 /nfs/dbraw/zinc/48/49/79/823484979.db2.gz FDVPFSHNESPQNZ-ZAKOGJKOSA-N 1 1 396.575 4.128 20 0 GIADMO C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000573365867 823485086 /nfs/dbraw/zinc/48/50/86/823485086.db2.gz BWGCFAJXYJVTMB-UHFFFAOYSA-N 1 1 379.460 4.056 20 0 GIADMO O=C(CCc1cc2ccccc2o1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029773522 820515227 /nfs/dbraw/zinc/51/52/27/820515227.db2.gz KJTNGYQXZYZHED-UHFFFAOYSA-N 1 1 380.463 4.239 20 0 GIADMO O=C(CCc1cc2ccccc2o1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029773522 820515230 /nfs/dbraw/zinc/51/52/30/820515230.db2.gz KJTNGYQXZYZHED-UHFFFAOYSA-N 1 1 380.463 4.239 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)C1 ZINC000177537651 823485509 /nfs/dbraw/zinc/48/55/09/823485509.db2.gz JBXYAOHXNZYDCL-AWEZNQCLSA-N 1 1 392.450 4.032 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(F)F)c3ncccc23)C1 ZINC000177537670 823485540 /nfs/dbraw/zinc/48/55/40/823485540.db2.gz JBXYAOHXNZYDCL-CQSZACIVSA-N 1 1 392.450 4.032 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000177542308 823486427 /nfs/dbraw/zinc/48/64/27/823486427.db2.gz CEWHFHXKOYYOHJ-SFHVURJKSA-N 1 1 394.519 4.135 20 0 GIADMO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000123262523 823487431 /nfs/dbraw/zinc/48/74/31/823487431.db2.gz HLQOTCQLBNTHLW-MGPUTAFESA-N 1 1 381.501 4.248 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@@H]1c1ccccc1 ZINC000189750160 823487581 /nfs/dbraw/zinc/48/75/81/823487581.db2.gz YFGLAOJFGZBDRJ-RDJZCZTQSA-N 1 1 385.418 4.067 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@H]1c1ccccc1 ZINC000189750160 823487583 /nfs/dbraw/zinc/48/75/83/823487583.db2.gz YFGLAOJFGZBDRJ-RDJZCZTQSA-N 1 1 385.418 4.067 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@H]1c1ccccc1 ZINC000189750160 823487584 /nfs/dbraw/zinc/48/75/84/823487584.db2.gz YFGLAOJFGZBDRJ-RDJZCZTQSA-N 1 1 385.418 4.067 20 0 GIADMO CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1)C1CC1 ZINC000029914268 820547312 /nfs/dbraw/zinc/54/73/12/820547312.db2.gz SKTYATBDGCBLQB-GOSISDBHSA-N 1 1 393.531 4.219 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@H](c1ccccc1)C(C)(C)C)[NH+](C)C ZINC000059264275 823488048 /nfs/dbraw/zinc/48/80/48/823488048.db2.gz QETUOIFWNNMVFN-TZIWHRDSSA-N 1 1 383.536 4.385 20 0 GIADMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000029936229 820550750 /nfs/dbraw/zinc/55/07/50/820550750.db2.gz WWFUHDLXRYYOCY-IBGZPJMESA-N 1 1 376.403 4.483 20 0 GIADMO COc1cccc(CN(C(=O)Cn2cc[nH+]c2C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000029937815 820550803 /nfs/dbraw/zinc/55/08/03/820550803.db2.gz AEKCLGUCKCRLFM-UHFFFAOYSA-N 1 1 393.531 4.198 20 0 GIADMO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1OCC ZINC000029939368 820551469 /nfs/dbraw/zinc/55/14/69/820551469.db2.gz FZOSTWRNGSHGQJ-SFHVURJKSA-N 1 1 386.492 4.034 20 0 GIADMO Cc1ccc(NC(=O)NC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)c(C)c1 ZINC000030007516 820567583 /nfs/dbraw/zinc/56/75/83/820567583.db2.gz OQUYQONMOADZAN-SFHVURJKSA-N 1 1 394.519 4.442 20 0 GIADMO CC(C)[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000030149222 820578865 /nfs/dbraw/zinc/57/88/65/820578865.db2.gz PZLJJNBYSGZWJO-GOEBONIOSA-N 1 1 375.563 4.464 20 0 GIADMO COc1ccc(-c2cc(CN3CCC[N@@H+](Cc4ccccc4C)CC3)on2)cc1 ZINC000030154120 820580690 /nfs/dbraw/zinc/58/06/90/820580690.db2.gz BPBNWCJZBFOVOI-UHFFFAOYSA-N 1 1 391.515 4.367 20 0 GIADMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030269788 820593397 /nfs/dbraw/zinc/59/33/97/820593397.db2.gz IETUSHRTWUYEDX-ROUUACIJSA-N 1 1 381.520 4.237 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000059387248 823494689 /nfs/dbraw/zinc/49/46/89/823494689.db2.gz NZSAMXHXJOVOSG-KRWDZBQOSA-N 1 1 376.859 4.133 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000059387248 823494691 /nfs/dbraw/zinc/49/46/91/823494691.db2.gz NZSAMXHXJOVOSG-KRWDZBQOSA-N 1 1 376.859 4.133 20 0 GIADMO C[N@H+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1OC(F)F ZINC000059393265 823495017 /nfs/dbraw/zinc/49/50/17/823495017.db2.gz OSMLJNWPBDLWAC-UHFFFAOYSA-N 1 1 398.837 4.281 20 0 GIADMO C[N@@H+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1OC(F)F ZINC000059393265 823495019 /nfs/dbraw/zinc/49/50/19/823495019.db2.gz OSMLJNWPBDLWAC-UHFFFAOYSA-N 1 1 398.837 4.281 20 0 GIADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ncoc1-c1ccccc1Cl ZINC000460714461 823492411 /nfs/dbraw/zinc/49/24/11/823492411.db2.gz CSIBKVOUHWSDBC-KRWDZBQOSA-N 1 1 395.890 4.389 20 0 GIADMO C[C@H](c1nn(CN(C)Cc2ccccc2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000030542735 820636468 /nfs/dbraw/zinc/63/64/68/820636468.db2.gz NMNBYZKBNKPYMX-MRXNPFEDSA-N 1 1 399.539 4.254 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000123318937 823495549 /nfs/dbraw/zinc/49/55/49/823495549.db2.gz PGCJDORKWQDTFT-INIZCTEOSA-N 1 1 390.597 4.207 20 0 GIADMO CCOC(=O)c1c(NC(=O)Cn2cc[nH+]c2C)sc(C)c1-c1ccccc1 ZINC000030696575 820666704 /nfs/dbraw/zinc/66/67/04/820666704.db2.gz UIMBTSLIXJSTPI-UHFFFAOYSA-N 1 1 383.473 4.044 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000189798508 823496534 /nfs/dbraw/zinc/49/65/34/823496534.db2.gz IALUMYXFSDMKII-AZUAARDMSA-N 1 1 395.551 4.230 20 0 GIADMO CC(C)(C)c1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)no1 ZINC000460729230 823497262 /nfs/dbraw/zinc/49/72/62/823497262.db2.gz WWCSXERCRNHTIB-KRWDZBQOSA-N 1 1 375.900 4.192 20 0 GIADMO O=C(Nc1cccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1)c1ccc(Cl)cc1 ZINC000030907178 820706638 /nfs/dbraw/zinc/70/66/38/820706638.db2.gz MADBJECDMIGEKN-QGZVFWFLSA-N 1 1 383.923 4.166 20 0 GIADMO O=C(Nc1cccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c1)c1ccc(Cl)cc1 ZINC000030907178 820706641 /nfs/dbraw/zinc/70/66/41/820706641.db2.gz MADBJECDMIGEKN-QGZVFWFLSA-N 1 1 383.923 4.166 20 0 GIADMO O=C(Nc1cccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1)c1ccccc1Cl ZINC000030907101 820707084 /nfs/dbraw/zinc/70/70/84/820707084.db2.gz PMQOLDUXWCEFDQ-KRWDZBQOSA-N 1 1 383.923 4.166 20 0 GIADMO O=C(Nc1cccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1)c1ccccc1Cl ZINC000030907101 820707087 /nfs/dbraw/zinc/70/70/87/820707087.db2.gz PMQOLDUXWCEFDQ-KRWDZBQOSA-N 1 1 383.923 4.166 20 0 GIADMO O=C(Nc1ccc(Br)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030938489 820710554 /nfs/dbraw/zinc/71/05/54/820710554.db2.gz GZPYWSSHYAOUBY-HNNXBMFYSA-N 1 1 391.284 4.439 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000059959045 823503807 /nfs/dbraw/zinc/50/38/07/823503807.db2.gz NCPYAIPJHBQSPN-UWJYYQICSA-N 1 1 386.923 4.198 20 0 GIADMO C[C@H](NC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000059959045 823503809 /nfs/dbraw/zinc/50/38/09/823503809.db2.gz NCPYAIPJHBQSPN-UWJYYQICSA-N 1 1 386.923 4.198 20 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821115909 /nfs/dbraw/zinc/11/59/09/821115909.db2.gz DGINTLYZVIOYKS-UHFFFAOYSA-N 1 1 398.547 4.269 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cccc(-c2ccccc2)c1 ZINC000177825600 823531687 /nfs/dbraw/zinc/53/16/87/823531687.db2.gz HLZNZMCGSBZEIB-FQEVSTJZSA-N 1 1 386.543 4.351 20 0 GIADMO COc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000060469807 823531798 /nfs/dbraw/zinc/53/17/98/823531798.db2.gz ASKAWJKRQNPIBV-FQEVSTJZSA-N 1 1 398.572 4.288 20 0 GIADMO COc1ccc(SCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000060475064 823532155 /nfs/dbraw/zinc/53/21/55/823532155.db2.gz NLDVNAKTTHUIDL-GOSISDBHSA-N 1 1 398.572 4.336 20 0 GIADMO COc1cc(NC(=O)CC[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c(OC)cc1Cl ZINC000177830560 823532682 /nfs/dbraw/zinc/53/26/82/823532682.db2.gz GTPWRUDNKCQNGV-SZNDQCEHSA-N 1 1 388.895 4.379 20 0 GIADMO O[C@@H](COc1ccccc1Cl)C[N@H+](Cc1ccco1)Cc1cccs1 ZINC000040314168 821158537 /nfs/dbraw/zinc/15/85/37/821158537.db2.gz SKFADVHXVXNRRE-OAHLLOKOSA-N 1 1 377.893 4.437 20 0 GIADMO O[C@@H](COc1ccccc1Cl)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000040314168 821158542 /nfs/dbraw/zinc/15/85/42/821158542.db2.gz SKFADVHXVXNRRE-OAHLLOKOSA-N 1 1 377.893 4.437 20 0 GIADMO CCOC1CC[NH+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000060484262 823533405 /nfs/dbraw/zinc/53/34/05/823533405.db2.gz JBZZPYDLGWWFOW-JOCHJYFZSA-N 1 1 386.923 4.047 20 0 GIADMO O=C(N[C@@H]1CCCc2sccc21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460883570 823535764 /nfs/dbraw/zinc/53/57/64/823535764.db2.gz NZWWGJKLJBMZAR-IRFCIJBXSA-N 1 1 395.572 4.289 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1OCc1cccc(Cl)c1)[C@H]1CCSC1 ZINC000123712499 823534165 /nfs/dbraw/zinc/53/41/65/823534165.db2.gz KVTKZNPQVQNQKG-KRWDZBQOSA-N 1 1 390.936 4.295 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1OCc1cccc(Cl)c1)[C@H]1CCSC1 ZINC000123712499 823534169 /nfs/dbraw/zinc/53/41/69/823534169.db2.gz KVTKZNPQVQNQKG-KRWDZBQOSA-N 1 1 390.936 4.295 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190076597 823534599 /nfs/dbraw/zinc/53/45/99/823534599.db2.gz ABDKQPCJXLQHJF-HXUWFJFHSA-N 1 1 391.519 4.092 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)CC1CCCCC1 ZINC000060495691 823534679 /nfs/dbraw/zinc/53/46/79/823534679.db2.gz VMSBNLOKWSBBTF-UHFFFAOYSA-N 1 1 387.568 4.399 20 0 GIADMO CC(C)[C@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1cccnc1 ZINC000177848521 823535899 /nfs/dbraw/zinc/53/58/99/823535899.db2.gz FAGLTOBGJRYYSB-GCJKJVERSA-N 1 1 396.535 4.036 20 0 GIADMO CCOc1ccc([C@@H](NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c2ccccc2)cc1 ZINC000177857014 823537173 /nfs/dbraw/zinc/53/71/73/823537173.db2.gz IKKBAMZTMUBYKV-CVDCTZTESA-N 1 1 395.547 4.158 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C(F)(F)F)[nH]c3=O)cc2)C1 ZINC000060548861 823541031 /nfs/dbraw/zinc/54/10/31/823541031.db2.gz ACBXFCAOHOKYBD-CYBMUJFWSA-N 1 1 393.409 4.290 20 0 GIADMO Cc1c(Br)cccc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190108380 823538094 /nfs/dbraw/zinc/53/80/94/823538094.db2.gz XBHHYQJOCVOGNG-DOTOQJQBSA-N 1 1 393.369 4.069 20 0 GIADMO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177885959 823541268 /nfs/dbraw/zinc/54/12/68/823541268.db2.gz WSEKDMXXFYYGSW-QUCCMNQESA-N 1 1 375.557 4.156 20 0 GIADMO Cc1nc(CCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)sc1C ZINC000177879093 823540242 /nfs/dbraw/zinc/54/02/42/823540242.db2.gz ZLICTWIAWACMFA-UHFFFAOYSA-N 1 1 393.556 4.364 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)c2cc(Cl)ccc2OC)C1 ZINC000177880505 823540377 /nfs/dbraw/zinc/54/03/77/823540377.db2.gz HBWQSZYBHAPPAX-LPHOPBHVSA-N 1 1 395.975 4.419 20 0 GIADMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132496 821271937 /nfs/dbraw/zinc/27/19/37/821271937.db2.gz YPBHSRGOQJLSEZ-RDJZCZTQSA-N 1 1 395.528 4.042 20 0 GIADMO CC[N@H+](Cc1ccccc1Cl)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000042157440 821276844 /nfs/dbraw/zinc/27/68/44/821276844.db2.gz LNEOWMHADVWCNK-KRWDZBQOSA-N 1 1 390.874 4.399 20 0 GIADMO CC[N@@H+](Cc1ccccc1Cl)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000042157440 821276853 /nfs/dbraw/zinc/27/68/53/821276853.db2.gz LNEOWMHADVWCNK-KRWDZBQOSA-N 1 1 390.874 4.399 20 0 GIADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+](C)C1CCCC1 ZINC000042541149 821310189 /nfs/dbraw/zinc/31/01/89/821310189.db2.gz FMRFZAWTHZIFAU-GOSISDBHSA-N 1 1 393.531 4.333 20 0 GIADMO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000042563726 821310301 /nfs/dbraw/zinc/31/03/01/821310301.db2.gz AEGLRIJXVGAASB-QGZVFWFLSA-N 1 1 384.545 4.417 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000042757618 821331075 /nfs/dbraw/zinc/33/10/75/821331075.db2.gz HNDAMYCBIAQLLS-UHFFFAOYSA-N 1 1 385.895 4.282 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000042757618 821331082 /nfs/dbraw/zinc/33/10/82/821331082.db2.gz HNDAMYCBIAQLLS-UHFFFAOYSA-N 1 1 385.895 4.282 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CSc1ccc(F)c(F)c1 ZINC000043086408 821359250 /nfs/dbraw/zinc/35/92/50/821359250.db2.gz ZZBNQTUODNDDIB-UHFFFAOYSA-N 1 1 378.488 4.214 20 0 GIADMO Cn1cc([C@@H](NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2cccc(F)c2)cn1 ZINC000180629356 821375182 /nfs/dbraw/zinc/37/51/82/821375182.db2.gz NFILNNRHIIEBBO-WTNAPCKOSA-N 1 1 398.551 4.383 20 0 GIADMO CCC(CC)[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC000180631066 821375472 /nfs/dbraw/zinc/37/54/72/821375472.db2.gz SMOVABGXQXXTGO-YADHBBJMSA-N 1 1 389.584 4.310 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000180647655 821381381 /nfs/dbraw/zinc/38/13/81/821381381.db2.gz QEOFUERTAUDDJF-OXJNMPFZSA-N 1 1 385.508 4.233 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1nc2sc(C)c(C)c2c(N)n1)c1ccc2c(c1)OCCO2 ZINC000180649460 821382163 /nfs/dbraw/zinc/38/21/63/821382163.db2.gz JTFHFHXCHWOLMY-DOMZBBRYSA-N 1 1 398.532 4.463 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000180654544 821384041 /nfs/dbraw/zinc/38/40/41/821384041.db2.gz XBEBZUMXSPEKHI-XJKSGUPXSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000180654544 821384048 /nfs/dbraw/zinc/38/40/48/821384048.db2.gz XBEBZUMXSPEKHI-XJKSGUPXSA-N 1 1 387.833 4.038 20 0 GIADMO O=C(Nc1ccc(Cl)cc1F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000043275912 821385492 /nfs/dbraw/zinc/38/54/92/821385492.db2.gz PNBDWUMFDXGFDH-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO O=C(Nc1ccc(Cl)cc1F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000043275912 821385500 /nfs/dbraw/zinc/38/55/00/821385500.db2.gz PNBDWUMFDXGFDH-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO CC[C@@H](CSC)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000180658298 821385696 /nfs/dbraw/zinc/38/56/96/821385696.db2.gz DCMDOUUGSBUBGQ-JTQLQIEISA-N 1 1 376.345 4.134 20 0 GIADMO COCC[NH2+][C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000043303910 821388847 /nfs/dbraw/zinc/38/88/47/821388847.db2.gz ASRGFTRRRRJPGU-MRXNPFEDSA-N 1 1 386.801 4.275 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N(Cc1cccs1)C1CC1)c1ccccc1Cl ZINC000043307282 821390021 /nfs/dbraw/zinc/39/00/21/821390021.db2.gz RXWOWPWJPQZVAK-GOSISDBHSA-N 1 1 377.941 4.378 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccn2C2CCCC2)C[C@@H](C)O1 ZINC000180713096 821412001 /nfs/dbraw/zinc/41/20/01/821412001.db2.gz VIPOBZYCTLZVQY-QZTJIDSGSA-N 1 1 381.520 4.465 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000180716268 821414926 /nfs/dbraw/zinc/41/49/26/821414926.db2.gz KVVBRKKGASOYKL-DOPJRALCSA-N 1 1 383.458 4.281 20 0 GIADMO CCOc1ccc([C@H]([NH2+][C@@H]2CCN(C(=O)CC)C2)c2ccccc2Cl)cc1 ZINC000180778352 821451775 /nfs/dbraw/zinc/45/17/75/821451775.db2.gz LVJOSMAZCCHDEU-VGSWGCGISA-N 1 1 386.923 4.429 20 0 GIADMO CCC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccc2Br)C1 ZINC000180779899 821452502 /nfs/dbraw/zinc/45/25/02/821452502.db2.gz FPURQGMLZIBHSB-JXFKEZNVSA-N 1 1 387.321 4.139 20 0 GIADMO C[C@@H](CNC(=O)Cc1c(Cl)cccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000043771409 821455895 /nfs/dbraw/zinc/45/58/95/821455895.db2.gz YLHXBIOVNBHKPR-LBPRGKRZSA-N 1 1 383.344 4.160 20 0 GIADMO C[C@@H](CNC(=O)Cc1c(Cl)cccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000043771409 821455901 /nfs/dbraw/zinc/45/59/01/821455901.db2.gz YLHXBIOVNBHKPR-LBPRGKRZSA-N 1 1 383.344 4.160 20 0 GIADMO CCN(CC)c1ncc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000180796306 821463512 /nfs/dbraw/zinc/46/35/12/821463512.db2.gz CBUQVRDDSCGJDU-ZDUSSCGKSA-N 1 1 387.475 4.042 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2cccs2)n1 ZINC000180799876 821465429 /nfs/dbraw/zinc/46/54/29/821465429.db2.gz HGLOFCZTQQXLIR-CQSZACIVSA-N 1 1 395.454 4.201 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000180801473 821466089 /nfs/dbraw/zinc/46/60/89/821466089.db2.gz FQYOLSQYBYCPDM-INIZCTEOSA-N 1 1 375.398 4.129 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000043860276 821474836 /nfs/dbraw/zinc/47/48/36/821474836.db2.gz LDODFKJOTMTCPJ-IBGZPJMESA-N 1 1 399.535 4.060 20 0 GIADMO c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180853594 821496237 /nfs/dbraw/zinc/49/62/37/821496237.db2.gz VUQHVUPIJFVLTA-OAHLLOKOSA-N 1 1 380.521 4.193 20 0 GIADMO c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180853594 821496239 /nfs/dbraw/zinc/49/62/39/821496239.db2.gz VUQHVUPIJFVLTA-OAHLLOKOSA-N 1 1 380.521 4.193 20 0 GIADMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180861125 821499587 /nfs/dbraw/zinc/49/95/87/821499587.db2.gz HKEIZQUMFQWPOD-HIFRSBDPSA-N 1 1 398.898 4.257 20 0 GIADMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180861125 821499593 /nfs/dbraw/zinc/49/95/93/821499593.db2.gz HKEIZQUMFQWPOD-HIFRSBDPSA-N 1 1 398.898 4.257 20 0 GIADMO COc1ccc([C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)c2ccccc2)cc1 ZINC000180879743 821509990 /nfs/dbraw/zinc/50/99/90/821509990.db2.gz RZYZSGOOQXPZQK-XMMPIXPASA-N 1 1 394.559 4.409 20 0 GIADMO CCN1CC[NH+](CCCNC(=S)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000044076390 821516313 /nfs/dbraw/zinc/51/63/13/821516313.db2.gz FCKCGIDSBMITLO-UHFFFAOYSA-N 1 1 390.641 4.247 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=S)Nc1cccc(Br)c1 ZINC000044098629 821522754 /nfs/dbraw/zinc/52/27/54/821522754.db2.gz NZKOEGIOARKDKP-AWEZNQCLSA-N 1 1 384.387 4.390 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1Cl ZINC000044248111 821554462 /nfs/dbraw/zinc/55/44/62/821554462.db2.gz ZNUVJIJICTUURS-HXUWFJFHSA-N 1 1 397.910 4.009 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000180966392 821560833 /nfs/dbraw/zinc/56/08/33/821560833.db2.gz LZORBTJGDQUUIG-UHFFFAOYSA-N 1 1 380.467 4.013 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)C1 ZINC000180975599 821567892 /nfs/dbraw/zinc/56/78/92/821567892.db2.gz VVXFEYNAKUBOCR-MRXNPFEDSA-N 1 1 394.510 4.151 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)c2ccccc2)cc1 ZINC000180987223 821576664 /nfs/dbraw/zinc/57/66/64/821576664.db2.gz BXWPKEAMXWQAAB-GOSISDBHSA-N 1 1 375.394 4.327 20 0 GIADMO C[C@@H](CCO)[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000180990678 821578285 /nfs/dbraw/zinc/57/82/85/821578285.db2.gz PARAXUFXWVNNIS-INIZCTEOSA-N 1 1 394.437 4.307 20 0 GIADMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180992979 821580350 /nfs/dbraw/zinc/58/03/50/821580350.db2.gz VJIYBNJXHDLDRU-ZIAGYGMSSA-N 1 1 389.496 4.011 20 0 GIADMO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3nc(-c4ccccn4)cs3)CC2)C1 ZINC000181012276 821592848 /nfs/dbraw/zinc/59/28/48/821592848.db2.gz HBPUOORNXZGPFD-MJGOQNOKSA-N 1 1 384.593 4.380 20 0 GIADMO CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000044586538 821616161 /nfs/dbraw/zinc/61/61/61/821616161.db2.gz YNGXMQGDXXYILA-CQSZACIVSA-N 1 1 382.430 4.091 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000181103850 821634364 /nfs/dbraw/zinc/63/43/64/821634364.db2.gz YFQPPGDYFVHULD-UHFFFAOYSA-N 1 1 399.445 4.159 20 0 GIADMO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccco1 ZINC000181105515 821635303 /nfs/dbraw/zinc/63/53/03/821635303.db2.gz LGOYVZTVTBRYNV-OAHLLOKOSA-N 1 1 391.422 4.298 20 0 GIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(c2ccccc2)c2ccccc2)c1 ZINC000181133308 821653568 /nfs/dbraw/zinc/65/35/68/821653568.db2.gz VKDXKKSNDUYZSU-HSZRJFAPSA-N 1 1 385.511 4.338 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCC(=O)Nc4ccccc4C)C3)nc2c1 ZINC000181142099 821660070 /nfs/dbraw/zinc/66/00/70/821660070.db2.gz MPNMXWJYPGGTFE-GOSISDBHSA-N 1 1 376.504 4.388 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCC(=O)Nc4ccccc4C)C3)[nH]c2c1 ZINC000181142099 821660076 /nfs/dbraw/zinc/66/00/76/821660076.db2.gz MPNMXWJYPGGTFE-GOSISDBHSA-N 1 1 376.504 4.388 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCC(=O)Nc4ccccc4C)C3)[nH]c2c1 ZINC000181142099 821660084 /nfs/dbraw/zinc/66/00/84/821660084.db2.gz MPNMXWJYPGGTFE-GOSISDBHSA-N 1 1 376.504 4.388 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4nnc(-c5ccccc5)n4C)C3)nc2c1 ZINC000181142014 821660407 /nfs/dbraw/zinc/66/04/07/821660407.db2.gz RPLWMKHSEHNIHD-SFHVURJKSA-N 1 1 386.503 4.046 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4nnc(-c5ccccc5)n4C)C3)nc2c1 ZINC000181142014 821660410 /nfs/dbraw/zinc/66/04/10/821660410.db2.gz RPLWMKHSEHNIHD-SFHVURJKSA-N 1 1 386.503 4.046 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4nnc(-c5ccccc5)n4C)C3)[nH]c2c1 ZINC000181142014 821660417 /nfs/dbraw/zinc/66/04/17/821660417.db2.gz RPLWMKHSEHNIHD-SFHVURJKSA-N 1 1 386.503 4.046 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4nnc(-c5ccccc5)n4C)C3)[nH]c2c1 ZINC000181142014 821660422 /nfs/dbraw/zinc/66/04/22/821660422.db2.gz RPLWMKHSEHNIHD-SFHVURJKSA-N 1 1 386.503 4.046 20 0 GIADMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(Br)c1 ZINC000181146954 821662573 /nfs/dbraw/zinc/66/25/73/821662573.db2.gz DEUJUBAPBMABRJ-NVXWUHKLSA-N 1 1 375.266 4.002 20 0 GIADMO CC[N@@H+]1CC[C@H](NC(=O)/C=C/c2cnc(C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154578 821666882 /nfs/dbraw/zinc/66/68/82/821666882.db2.gz UYQPVJSVMSLRQW-GCNHAWSASA-N 1 1 393.915 4.209 20 0 GIADMO CC[N@H+]1CC[C@H](NC(=O)/C=C/c2cnc(C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181154578 821666890 /nfs/dbraw/zinc/66/68/90/821666890.db2.gz UYQPVJSVMSLRQW-GCNHAWSASA-N 1 1 393.915 4.209 20 0 GIADMO CCOc1ccc(-c2noc(C[NH+]3CCC(OCc4ccccc4)CC3)n2)cc1 ZINC000044872309 821674951 /nfs/dbraw/zinc/67/49/51/821674951.db2.gz PXEWWDIUIKIOMY-UHFFFAOYSA-N 1 1 393.487 4.317 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1F ZINC000181192274 821687733 /nfs/dbraw/zinc/68/77/33/821687733.db2.gz CNQPUORGEFCFTG-LIRRHRJNSA-N 1 1 385.414 4.272 20 0 GIADMO Cc1cc2ncc([C@@H](C)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)c(C)n2n1 ZINC000181193432 821689128 /nfs/dbraw/zinc/68/91/28/821689128.db2.gz BNSVUMDUBYHUIH-LJQANCHMSA-N 1 1 391.563 4.429 20 0 GIADMO CC(=O)Nc1cccc(Nc2nnc(SCC[C@H]3CCCC[N@@H+]3C)s2)c1 ZINC000045022852 821693234 /nfs/dbraw/zinc/69/32/34/821693234.db2.gz IFXCZXHHRILIAH-MRXNPFEDSA-N 1 1 391.566 4.207 20 0 GIADMO COc1ccccc1-c1nnc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000181207275 821697827 /nfs/dbraw/zinc/69/78/27/821697827.db2.gz WZARVCLFGJEATQ-VQIMIIECSA-N 1 1 379.460 4.003 20 0 GIADMO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181300160 821743423 /nfs/dbraw/zinc/74/34/23/821743423.db2.gz RYWFNYWMHYZWFM-WBVHZDCISA-N 1 1 380.496 4.138 20 0 GIADMO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181300160 821743429 /nfs/dbraw/zinc/74/34/29/821743429.db2.gz RYWFNYWMHYZWFM-WBVHZDCISA-N 1 1 380.496 4.138 20 0 GIADMO Brc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)nc1 ZINC000181307143 821747104 /nfs/dbraw/zinc/74/71/04/821747104.db2.gz ZTBQFRSJKCWEFT-OAHLLOKOSA-N 1 1 398.308 4.009 20 0 GIADMO Brc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)nc1 ZINC000181307143 821747107 /nfs/dbraw/zinc/74/71/07/821747107.db2.gz ZTBQFRSJKCWEFT-OAHLLOKOSA-N 1 1 398.308 4.009 20 0 GIADMO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000181412971 821812428 /nfs/dbraw/zinc/81/24/28/821812428.db2.gz GXVRYYNACCCZGJ-SMOSDQRPSA-N 1 1 387.593 4.146 20 0 GIADMO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000181412990 821812458 /nfs/dbraw/zinc/81/24/58/821812458.db2.gz GXVRYYNACCCZGJ-FIYPYCPBSA-N 1 1 387.593 4.146 20 0 GIADMO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(SCC(F)F)cc1 ZINC000181417799 821815747 /nfs/dbraw/zinc/81/57/47/821815747.db2.gz JWCLATXYTACDGJ-YSSFQJQWSA-N 1 1 398.563 4.462 20 0 GIADMO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(SCC(F)F)cc1 ZINC000181417799 821815756 /nfs/dbraw/zinc/81/57/56/821815756.db2.gz JWCLATXYTACDGJ-YSSFQJQWSA-N 1 1 398.563 4.462 20 0 GIADMO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(SCC(F)F)cc1 ZINC000181417761 821815899 /nfs/dbraw/zinc/81/58/99/821815899.db2.gz JWCLATXYTACDGJ-BEVDRBHNSA-N 1 1 398.563 4.462 20 0 GIADMO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(SCC(F)F)cc1 ZINC000181417761 821815910 /nfs/dbraw/zinc/81/59/10/821815910.db2.gz JWCLATXYTACDGJ-BEVDRBHNSA-N 1 1 398.563 4.462 20 0 GIADMO Nc1nc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)nc2ccccc12 ZINC000181421415 821818161 /nfs/dbraw/zinc/81/81/61/821818161.db2.gz VESWJLMPMDRIFV-WIYYLYMNSA-N 1 1 376.504 4.080 20 0 GIADMO C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(-c2ccccc2)cc1 ZINC000181425618 821819934 /nfs/dbraw/zinc/81/99/34/821819934.db2.gz AEZDPDGJJYYDEE-INIZCTEOSA-N 1 1 379.529 4.292 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)o1 ZINC000181431913 821823752 /nfs/dbraw/zinc/82/37/52/821823752.db2.gz KWSDICZBSPQIDC-JKSUJKDBSA-N 1 1 387.549 4.023 20 0 GIADMO C[N@H+](Cc1ncc(-c2ccccc2Br)o1)C[C@@H]1CCCC[C@@H]1O ZINC000181452767 821832491 /nfs/dbraw/zinc/83/24/91/821832491.db2.gz BXODHEPEQDAXIX-BBRMVZONSA-N 1 1 379.298 4.087 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)cc1Cn1cccn1 ZINC000181478270 821843779 /nfs/dbraw/zinc/84/37/79/821843779.db2.gz SSVFXVLBGNKJBK-QGZVFWFLSA-N 1 1 379.508 4.102 20 0 GIADMO CCOc1ccccc1OCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181508262 821859571 /nfs/dbraw/zinc/85/95/71/821859571.db2.gz ZJSLQXADZWCYCI-RBUKOAKNSA-N 1 1 388.552 4.014 20 0 GIADMO C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc2cc(Cl)ccc2o1 ZINC000181516351 821863064 /nfs/dbraw/zinc/86/30/64/821863064.db2.gz KJMYNMAIDKJINC-HNNXBMFYSA-N 1 1 384.911 4.084 20 0 GIADMO C[C@@H](NC(=O)CCc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181519582 821864422 /nfs/dbraw/zinc/86/44/22/821864422.db2.gz CWFXLXYJQROXBT-NVXWUHKLSA-N 1 1 393.369 4.151 20 0 GIADMO C[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181524609 821865851 /nfs/dbraw/zinc/86/58/51/821865851.db2.gz YZLSQBUUFQLSMB-ZIAGYGMSSA-N 1 1 385.335 4.141 20 0 GIADMO C[C@H](NC(=O)c1cnc(-c2ccsc2)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181547103 821875752 /nfs/dbraw/zinc/87/57/52/821875752.db2.gz IEPIDYONKBOSEE-UONOGXRCSA-N 1 1 375.563 4.254 20 0 GIADMO CC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000181554652 821879126 /nfs/dbraw/zinc/87/91/26/821879126.db2.gz AMJXWPPTEGUTFI-SFHVURJKSA-N 1 1 382.376 4.399 20 0 GIADMO C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)c1ccc(Cl)cc1 ZINC000181575367 821886443 /nfs/dbraw/zinc/88/64/43/821886443.db2.gz KYTUXJOMXYNXAM-WRWLIDTKSA-N 1 1 388.939 4.024 20 0 GIADMO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000181622526 821908182 /nfs/dbraw/zinc/90/81/82/821908182.db2.gz XQBUDJOOMNPJGI-IBGZPJMESA-N 1 1 396.503 4.092 20 0 GIADMO C[C@@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181640387 821918394 /nfs/dbraw/zinc/91/83/94/821918394.db2.gz LHBZKCZTHWGXFL-OLZOCXBDSA-N 1 1 399.760 4.485 20 0 GIADMO COc1ccccc1-c1nc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000181644261 821919729 /nfs/dbraw/zinc/91/97/29/821919729.db2.gz RYZUBONVEKJHJM-FQEVSTJZSA-N 1 1 379.529 4.307 20 0 GIADMO COc1ccccc1-c1nc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000181644261 821919734 /nfs/dbraw/zinc/91/97/34/821919734.db2.gz RYZUBONVEKJHJM-FQEVSTJZSA-N 1 1 379.529 4.307 20 0 GIADMO COc1cccc(C2(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CCCC2)c1 ZINC000181644749 821920246 /nfs/dbraw/zinc/92/02/46/821920246.db2.gz YWWJZIVOAGFDST-RTBURBONSA-N 1 1 384.564 4.276 20 0 GIADMO C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181663207 821930726 /nfs/dbraw/zinc/93/07/26/821930726.db2.gz YQCDAAKHJFPCDO-PKOBYXMFSA-N 1 1 379.504 4.257 20 0 GIADMO C[C@@H](NC(=O)c1occc1COc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669246 821934774 /nfs/dbraw/zinc/93/47/74/821934774.db2.gz NXAOSGQNOUCXSZ-MSOLQXFVSA-N 1 1 382.504 4.241 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181720579 821960003 /nfs/dbraw/zinc/96/00/03/821960003.db2.gz VOLOORTVNHOZQZ-APPDUMDISA-N 1 1 387.332 4.443 20 0 GIADMO C[C@H]([NH2+]CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccn1 ZINC000181785660 821991338 /nfs/dbraw/zinc/99/13/38/821991338.db2.gz MLYSYPRDGVSEGO-GHTZIAJQSA-N 1 1 398.510 4.162 20 0 GIADMO CC[C@@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(OC)cc1 ZINC000181805694 822000503 /nfs/dbraw/zinc/00/05/03/822000503.db2.gz LQPBCCMIAAKTGI-MRXNPFEDSA-N 1 1 377.366 4.403 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccccn1 ZINC000181814789 822004005 /nfs/dbraw/zinc/00/40/05/822004005.db2.gz KLPJJHZGWODEPD-ZHRRBRCNSA-N 1 1 379.891 4.291 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)o2)cc1C ZINC000181903783 822032433 /nfs/dbraw/zinc/03/24/33/822032433.db2.gz LCRYJUITRKXGIZ-DLBZAZTESA-N 1 1 388.475 4.346 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)n2)ccc1F ZINC000181908887 822034336 /nfs/dbraw/zinc/03/43/36/822034336.db2.gz AROQCGDPFJVPBD-HUUCEWRRSA-N 1 1 392.438 4.177 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182011344 822061630 /nfs/dbraw/zinc/06/16/30/822061630.db2.gz KNTNIRCIWZKPJT-HNNXBMFYSA-N 1 1 392.894 4.266 20 0 GIADMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182025900 822066627 /nfs/dbraw/zinc/06/66/27/822066627.db2.gz KTXNUPCEMYPMKB-OAHLLOKOSA-N 1 1 380.410 4.314 20 0 GIADMO COc1cc(C[N@H+](C)Cc2cccnc2)cc(Br)c1OC(F)F ZINC000182034849 822069214 /nfs/dbraw/zinc/06/92/14/822069214.db2.gz FFGLQMJMVPVLJE-UHFFFAOYSA-N 1 1 387.224 4.086 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cccnc2)cc(Br)c1OC(F)F ZINC000182034849 822069225 /nfs/dbraw/zinc/06/92/25/822069225.db2.gz FFGLQMJMVPVLJE-UHFFFAOYSA-N 1 1 387.224 4.086 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000182075956 822083500 /nfs/dbraw/zinc/08/35/00/822083500.db2.gz VWPYWUDYUNXUCN-VVRXKDFOSA-N 1 1 377.532 4.491 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000182075956 822083508 /nfs/dbraw/zinc/08/35/08/822083508.db2.gz VWPYWUDYUNXUCN-VVRXKDFOSA-N 1 1 377.532 4.491 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000182075956 822083516 /nfs/dbraw/zinc/08/35/16/822083516.db2.gz VWPYWUDYUNXUCN-VVRXKDFOSA-N 1 1 377.532 4.491 20 0 GIADMO OCC[N@H+](Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)Cc1cccnc1 ZINC000182159590 822123947 /nfs/dbraw/zinc/12/39/47/822123947.db2.gz DHXFYEAXINRGMU-UHFFFAOYSA-N 1 1 376.378 4.355 20 0 GIADMO OCC[N@@H+](Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)Cc1cccnc1 ZINC000182159590 822123951 /nfs/dbraw/zinc/12/39/51/822123951.db2.gz DHXFYEAXINRGMU-UHFFFAOYSA-N 1 1 376.378 4.355 20 0 GIADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)c3ccccn3)[C@H](c3ccco3)C2)cc1 ZINC000182172535 822130833 /nfs/dbraw/zinc/13/08/33/822130833.db2.gz DBCPNUTVFMLLTR-UTKZUKDTSA-N 1 1 388.471 4.012 20 0 GIADMO COC[C@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)c1ccc(F)c(F)c1 ZINC000182243962 822165134 /nfs/dbraw/zinc/16/51/34/822165134.db2.gz DMBOMEWQHQPNQC-QFIPXVFZSA-N 1 1 385.458 4.304 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000182245427 822165704 /nfs/dbraw/zinc/16/57/04/822165704.db2.gz BLKPPTYGZQIHRP-UHFFFAOYSA-N 1 1 392.421 4.148 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc(-c2ccccc2)cs1 ZINC000182262076 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391.519 4.313 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182849580 822378469 /nfs/dbraw/zinc/37/84/69/822378469.db2.gz MSBGOZMJZDPNMC-JKSUJKDBSA-N 1 1 397.485 4.500 20 0 GIADMO CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000182856277 822379896 /nfs/dbraw/zinc/37/98/96/822379896.db2.gz UFRHWBATDGBFEO-HXUWFJFHSA-N 1 1 386.499 4.436 20 0 GIADMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182857199 822379951 /nfs/dbraw/zinc/37/99/51/822379951.db2.gz IDBPYIKFFAFGNZ-ZFWWWQNUSA-N 1 1 391.397 4.350 20 0 GIADMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182857199 822379953 /nfs/dbraw/zinc/37/99/53/822379953.db2.gz IDBPYIKFFAFGNZ-ZFWWWQNUSA-N 1 1 391.397 4.350 20 0 GIADMO C[C@H](NC(=O)N1CCSC2(CCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182874174 822383733 /nfs/dbraw/zinc/38/37/33/822383733.db2.gz YQSSZLDMBKCWPN-ZWKOTPCHSA-N 1 1 379.614 4.101 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000182879143 822384563 /nfs/dbraw/zinc/38/45/63/822384563.db2.gz PFIUDUGMQSLWGW-GCJKJVERSA-N 1 1 392.547 4.011 20 0 GIADMO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1C ZINC000182879400 822384886 /nfs/dbraw/zinc/38/48/86/822384886.db2.gz MJHVNSZGOQLPGL-UONOGXRCSA-N 1 1 385.439 4.420 20 0 GIADMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182891813 822387312 /nfs/dbraw/zinc/38/73/12/822387312.db2.gz DYCWZHNCXJRYPH-AEFFLSMTSA-N 1 1 398.551 4.118 20 0 GIADMO C[C@H](NC(=O)CSc1nccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898129 822388418 /nfs/dbraw/zinc/38/84/18/822388418.db2.gz LJWYSYYHRBPZHS-FUHWJXTLSA-N 1 1 383.561 4.096 20 0 GIADMO C[C@@H]([NH2+]C1(CN[C@@H](C)c2ccc3c(c2)CCO3)CCOCC1)c1ccccc1 ZINC000178534642 822388902 /nfs/dbraw/zinc/38/89/02/822388902.db2.gz QHKGHKARVMHHNI-RBUKOAKNSA-N 1 1 380.532 4.172 20 0 GIADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000178541992 822389895 /nfs/dbraw/zinc/38/98/95/822389895.db2.gz JEZPGDGBMZXSEK-AWEZNQCLSA-N 1 1 397.828 4.148 20 0 GIADMO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000182916079 822392013 /nfs/dbraw/zinc/39/20/13/822392013.db2.gz RRUQNRLJCTYXKJ-OALUTQOASA-N 1 1 395.551 4.264 20 0 GIADMO CC(C)Oc1cccc(CN(C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182916922 822392250 /nfs/dbraw/zinc/39/22/50/822392250.db2.gz UWODIVLCIVKFFL-UYAOXDASSA-N 1 1 387.568 4.268 20 0 GIADMO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000178572392 822392876 /nfs/dbraw/zinc/39/28/76/822392876.db2.gz OKKQVYPEAJKENY-HKUYNNGSSA-N 1 1 381.545 4.207 20 0 GIADMO C[C@H](NC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182921840 822393248 /nfs/dbraw/zinc/39/32/48/822393248.db2.gz DYGXQONGQBVUSD-WPYKKVEZSA-N 1 1 399.579 4.030 20 0 GIADMO C[C@@H](NC(=O)N(C)CCOc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182923103 822393517 /nfs/dbraw/zinc/39/35/17/822393517.db2.gz MOVXYUHVOXGNJS-SJORKVTESA-N 1 1 393.959 4.013 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182927105 822394550 /nfs/dbraw/zinc/39/45/50/822394550.db2.gz LSWLGKOIQRLNCL-DOTOQJQBSA-N 1 1 395.494 4.082 20 0 GIADMO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178592113 822394672 /nfs/dbraw/zinc/39/46/72/822394672.db2.gz OZHLQIDWHBBXGP-OVQGTLEDSA-N 1 1 398.572 4.086 20 0 GIADMO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178592113 822394674 /nfs/dbraw/zinc/39/46/74/822394674.db2.gz OZHLQIDWHBBXGP-OVQGTLEDSA-N 1 1 398.572 4.086 20 0 GIADMO Cc1ccc2oc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2n1 ZINC000178599698 822395325 /nfs/dbraw/zinc/39/53/25/822395325.db2.gz FNQUXVYXSMHTKR-TZIWHRDSSA-N 1 1 389.499 4.263 20 0 GIADMO Cc1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C(C)C)n1 ZINC000178600401 822395390 /nfs/dbraw/zinc/39/53/90/822395390.db2.gz IOOFHDOVFOYLAA-RBBKRZOGSA-N 1 1 392.547 4.035 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCOc1ccccc1Cl ZINC000045570708 822396273 /nfs/dbraw/zinc/39/62/73/822396273.db2.gz MBXUDOUEFPWJQG-ZDUSSCGKSA-N 1 1 398.837 4.279 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCOc1ccccc1Cl ZINC000045570708 822396277 /nfs/dbraw/zinc/39/62/77/822396277.db2.gz MBXUDOUEFPWJQG-ZDUSSCGKSA-N 1 1 398.837 4.279 20 0 GIADMO CCOC(=O)c1sc2nc(C[NH2+][C@H](C)c3cc(C)cc(C)c3)nc(N)c2c1C ZINC000182938845 822396352 /nfs/dbraw/zinc/39/63/52/822396352.db2.gz VWVUEHOCIHFQGW-CQSZACIVSA-N 1 1 398.532 4.226 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182943222 822397414 /nfs/dbraw/zinc/39/74/14/822397414.db2.gz SUMGKVZZVRUWLQ-ZMSDIMECSA-N 1 1 379.495 4.320 20 0 GIADMO C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182950186 822398515 /nfs/dbraw/zinc/39/85/15/822398515.db2.gz NHXRCFGPKFNBBG-IBGZPJMESA-N 1 1 383.536 4.227 20 0 GIADMO COc1ccc(CN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182952121 822399001 /nfs/dbraw/zinc/39/90/01/822399001.db2.gz IQQFGTFYMPGKII-HKUYNNGSSA-N 1 1 385.552 4.022 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc2ccccc2n1 ZINC000178663059 822400741 /nfs/dbraw/zinc/40/07/41/822400741.db2.gz YCKUSXIVMOYYRQ-MRXNPFEDSA-N 1 1 397.544 4.162 20 0 GIADMO CCO[C@@H]1C[C@@H](Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)C12CCC2 ZINC000182968092 822401289 /nfs/dbraw/zinc/40/12/89/822401289.db2.gz IMIFIAKFMYRGLN-NHCUHLMSSA-N 1 1 385.552 4.179 20 0 GIADMO COC[C@@H](Cc1ccccc1)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000182967973 822401384 /nfs/dbraw/zinc/40/13/84/822401384.db2.gz UMOGFFPCYFAFRG-JOCHJYFZSA-N 1 1 395.547 4.089 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1N[C@H](C)[C@@H]1CCOC1)CC2 ZINC000182968951 822401539 /nfs/dbraw/zinc/40/15/39/822401539.db2.gz JDHXOZZCGKKLIJ-YLJYHZDGSA-N 1 1 396.531 4.099 20 0 GIADMO Fc1cccc(F)c1-c1nc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)co1 ZINC000178704906 822404236 /nfs/dbraw/zinc/40/42/36/822404236.db2.gz BTWOMJVPXUJVHA-AWEZNQCLSA-N 1 1 395.413 4.042 20 0 GIADMO Fc1cccc(F)c1-c1nc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)co1 ZINC000178704906 822404239 /nfs/dbraw/zinc/40/42/39/822404239.db2.gz BTWOMJVPXUJVHA-AWEZNQCLSA-N 1 1 395.413 4.042 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)nc2c1 ZINC000178729791 822405925 /nfs/dbraw/zinc/40/59/25/822405925.db2.gz WGIRWIYWHBECFU-GHTZIAJQSA-N 1 1 397.567 4.086 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)[nH]c2c1 ZINC000178729791 822405926 /nfs/dbraw/zinc/40/59/26/822405926.db2.gz WGIRWIYWHBECFU-GHTZIAJQSA-N 1 1 397.567 4.086 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)[nH]c2c1 ZINC000178729791 822405927 /nfs/dbraw/zinc/40/59/27/822405927.db2.gz WGIRWIYWHBECFU-GHTZIAJQSA-N 1 1 397.567 4.086 20 0 GIADMO CC[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(Cl)s1 ZINC000183005006 822409702 /nfs/dbraw/zinc/40/97/02/822409702.db2.gz KFNORMGSWXJWHX-HZPDHXFCSA-N 1 1 377.941 4.414 20 0 GIADMO COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1CN1CCCCC1 ZINC000183006511 822410049 /nfs/dbraw/zinc/41/00/49/822410049.db2.gz OHJNGXMSNFPMNH-JTSKRJEESA-N 1 1 388.577 4.301 20 0 GIADMO CSc1ccc([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1F ZINC000183006073 822410108 /nfs/dbraw/zinc/41/01/08/822410108.db2.gz VCZKSYSPQBQDJD-AUUYWEPGSA-N 1 1 387.524 4.170 20 0 GIADMO Cc1c2ccccc2oc1[C@H](C)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183007913 822410393 /nfs/dbraw/zinc/41/03/93/822410393.db2.gz WFAFOOKXQKHBTL-OXJNMPFZSA-N 1 1 377.488 4.364 20 0 GIADMO CC[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cc(C)ccc1OC ZINC000183013984 822411530 /nfs/dbraw/zinc/41/15/30/822411530.db2.gz BHEPFCKRIDLPPU-NHCUHLMSSA-N 1 1 381.520 4.017 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCc3ccc(O)cc3C2)cc1 ZINC000045780157 822412881 /nfs/dbraw/zinc/41/28/81/822412881.db2.gz LVCDIAVHLOSAII-SFHVURJKSA-N 1 1 393.531 4.035 20 0 GIADMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC000045803751 822414879 /nfs/dbraw/zinc/41/48/79/822414879.db2.gz HWUBSGRRMRRYSH-KRWDZBQOSA-N 1 1 383.561 4.281 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1C ZINC000183040511 822416050 /nfs/dbraw/zinc/41/60/50/822416050.db2.gz QRYGSVVQPBZYDI-QGZVFWFLSA-N 1 1 396.535 4.376 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2cnc3nc(C)cc(C)n23)c2ccc(F)cc2)cc1 ZINC000178885504 822419011 /nfs/dbraw/zinc/41/90/11/822419011.db2.gz QZPXGZAMOIOKSN-QFIPXVFZSA-N 1 1 390.462 4.373 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000183084364 822422601 /nfs/dbraw/zinc/42/26/01/822422601.db2.gz LNMARNNAHCNYPZ-UHFFFAOYSA-N 1 1 375.394 4.404 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C3(c4ccccc4)CCOCC3)c2C1 ZINC000178943328 822423545 /nfs/dbraw/zinc/42/35/45/822423545.db2.gz TVDNSXWHHSJGES-UHFFFAOYSA-N 1 1 378.516 4.345 20 0 GIADMO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(CO)c1 ZINC000178993219 822427320 /nfs/dbraw/zinc/42/73/20/822427320.db2.gz SGRDADIVCNTIOJ-UHFFFAOYSA-N 1 1 383.923 4.490 20 0 GIADMO C[S@](=O)C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)c1ccccc1 ZINC000183127428 822427938 /nfs/dbraw/zinc/42/79/38/822427938.db2.gz UCCJDNVIPXQMLS-IERDGZPVSA-N 1 1 386.742 4.312 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C)cc2Br)c1 ZINC000179012117 822429874 /nfs/dbraw/zinc/42/98/74/822429874.db2.gz ACWZFOIFAQNIOO-UHFFFAOYSA-N 1 1 375.310 4.139 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1-n1cccn1 ZINC000183156970 822433025 /nfs/dbraw/zinc/43/30/25/822433025.db2.gz MMXFCHPWVLKFFW-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000183162500 822433653 /nfs/dbraw/zinc/43/36/53/822433653.db2.gz NGUMRFDDRPTVBG-CHEFSKHESA-N 1 1 399.343 4.030 20 0 GIADMO O=C1O[C@H](C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CN1c1ccccc1 ZINC000179068890 822434971 /nfs/dbraw/zinc/43/49/71/822434971.db2.gz MBWYMVIIVQWTSV-TZIWHRDSSA-N 1 1 393.874 4.439 20 0 GIADMO O=C1O[C@H](C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CN1c1ccccc1 ZINC000179068871 822434976 /nfs/dbraw/zinc/43/49/76/822434976.db2.gz MBWYMVIIVQWTSV-CTNGQTDRSA-N 1 1 393.874 4.439 20 0 GIADMO CC(C)N1CCC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000183171381 822435277 /nfs/dbraw/zinc/43/52/77/822435277.db2.gz KKYVWCLSHWJPKB-UHFFFAOYSA-N 1 1 384.395 4.420 20 0 GIADMO Cc1cccc2nc(C[N@@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)cn21 ZINC000179093377 822437497 /nfs/dbraw/zinc/43/74/97/822437497.db2.gz AVUJDEJBLAWHBU-ZDUSSCGKSA-N 1 1 380.439 4.498 20 0 GIADMO Cc1cccc2nc(C[N@H+]3CCC[C@H](c4nc(C(F)(F)F)cs4)C3)cn21 ZINC000179093377 822437499 /nfs/dbraw/zinc/43/74/99/822437499.db2.gz AVUJDEJBLAWHBU-ZDUSSCGKSA-N 1 1 380.439 4.498 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000179101343 822438237 /nfs/dbraw/zinc/43/82/37/822438237.db2.gz BLTWWHWLWQTMRC-KRWDZBQOSA-N 1 1 393.535 4.041 20 0 GIADMO Cc1cnc([C@H](C)CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000183193628 822439221 /nfs/dbraw/zinc/43/92/21/822439221.db2.gz UHDAYPVJSVAMCP-SJORKVTESA-N 1 1 392.613 4.241 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]([C@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000454226906 822440843 /nfs/dbraw/zinc/44/08/43/822440843.db2.gz LOPJQKDBCVTWCN-FYYLOGMGSA-N 1 1 399.579 4.370 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H](O)CC(C)(C)C1)C1CCCCC1 ZINC000454229670 822441313 /nfs/dbraw/zinc/44/13/13/822441313.db2.gz QCPIOBLBKGJSOY-HXUWFJFHSA-N 1 1 387.568 4.466 20 0 GIADMO CCCOc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCCC ZINC000454237693 822442391 /nfs/dbraw/zinc/44/23/91/822442391.db2.gz KRJULWVSICJJMH-AYHJJNSGSA-N 1 1 375.513 4.011 20 0 GIADMO CC(C)(CNC(=O)Nc1cccc(-c2ncco2)c1)[N@H+]1CCc2ccccc2C1 ZINC000179152596 822444665 /nfs/dbraw/zinc/44/46/65/822444665.db2.gz HSPQPZSTACVYQM-UHFFFAOYSA-N 1 1 390.487 4.300 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2)C1 ZINC000046155917 822445359 /nfs/dbraw/zinc/44/53/59/822445359.db2.gz RQLREWGQRPCTSZ-MRXNPFEDSA-N 1 1 376.460 4.221 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)C2)C1 ZINC000454268806 822446977 /nfs/dbraw/zinc/44/69/77/822446977.db2.gz PHTRDXQSXVKNDN-NRFANRHFSA-N 1 1 390.959 4.280 20 0 GIADMO CO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1(C)C ZINC000454274408 822448189 /nfs/dbraw/zinc/44/81/89/822448189.db2.gz VRNWIOBRVYDCIA-WIYYLYMNSA-N 1 1 387.568 4.018 20 0 GIADMO CCC[N@@H+](Cc1cccc(COC)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000179192713 822449071 /nfs/dbraw/zinc/44/90/71/822449071.db2.gz GGPHGWPRHBJOOG-UHFFFAOYSA-N 1 1 385.895 4.135 20 0 GIADMO CCC[N@H+](Cc1cccc(COC)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000179192713 822449074 /nfs/dbraw/zinc/44/90/74/822449074.db2.gz GGPHGWPRHBJOOG-UHFFFAOYSA-N 1 1 385.895 4.135 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccccc3SC)CC[N@H+]2C2CC2)c1 ZINC000183269882 822451408 /nfs/dbraw/zinc/45/14/08/822451408.db2.gz OAHKLEBKOFZNCO-PZJWPPBQSA-N 1 1 382.529 4.125 20 0 GIADMO Cc1ccc(-n2cc(C[N@H+]3CCOCC4(CCOCC4)C3)c(C(C)(C)C)n2)cc1 ZINC000183270414 822451477 /nfs/dbraw/zinc/45/14/77/822451477.db2.gz BWVHDWHTLVPOQZ-UHFFFAOYSA-N 1 1 397.563 4.107 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ncc(Br)s1 ZINC000179210860 822451666 /nfs/dbraw/zinc/45/16/66/822451666.db2.gz SLPOTZOPBBUUKR-LBPRGKRZSA-N 1 1 394.338 4.273 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3c[nH]c4cc(F)ccc34)CC[N@H+]2C2CC2)c1 ZINC000183272013 822451740 /nfs/dbraw/zinc/45/17/40/822451740.db2.gz WTLVPLJYQDKFDL-UNMCSNQZSA-N 1 1 393.462 4.023 20 0 GIADMO C[C@@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179211662 822451850 /nfs/dbraw/zinc/45/18/50/822451850.db2.gz QDCXLFZCGFZJIB-IUCAKERBSA-N 1 1 377.254 4.302 20 0 GIADMO CC(F)(F)CCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000454288469 822451917 /nfs/dbraw/zinc/45/19/17/822451917.db2.gz JHLYVSGEQDMHCU-UHFFFAOYSA-N 1 1 393.400 4.014 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3coc4ccccc34)CC[N@H+]2C2CC2)c1 ZINC000183274419 822452202 /nfs/dbraw/zinc/45/22/02/822452202.db2.gz NHAYLUARZXQMCM-IFMALSPDSA-N 1 1 376.456 4.149 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1cccc(N2CCOC2=O)c1 ZINC000179214055 822452360 /nfs/dbraw/zinc/45/23/60/822452360.db2.gz NTKMWINBHXCGLY-MNOVXSKESA-N 1 1 396.310 4.274 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ncc(Br)s1 ZINC000179214124 822452367 /nfs/dbraw/zinc/45/23/67/822452367.db2.gz QCVJEGFXVNYJOY-WDEREUQCSA-N 1 1 396.310 4.274 20 0 GIADMO CSCCCCCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000183278306 822452644 /nfs/dbraw/zinc/45/26/44/822452644.db2.gz GWBBGCFLKNNMHX-SJLPKXTDSA-N 1 1 383.627 4.354 20 0 GIADMO C[C@@H](Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1)[C@H](C)c1ccccc1 ZINC000183281267 822453059 /nfs/dbraw/zinc/45/30/59/822453059.db2.gz ZPHBBTANFFBISW-ZWKOTPCHSA-N 1 1 399.510 4.091 20 0 GIADMO CC(C)N(CCc1nccs1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000179220159 822453077 /nfs/dbraw/zinc/45/30/77/822453077.db2.gz JYKFJYIEUVBJIN-KRWDZBQOSA-N 1 1 394.972 4.062 20 0 GIADMO C[C@H]1CN(C(=O)Nc2nc(C(F)(F)F)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454300632 822454345 /nfs/dbraw/zinc/45/43/45/822454345.db2.gz JUZPYCLXNGJVKI-CYBMUJFWSA-N 1 1 398.454 4.148 20 0 GIADMO CC(C)Oc1cccc([C@H](O)C[NH2+][C@H](C)c2ncc(Br)s2)c1 ZINC000179231805 822454679 /nfs/dbraw/zinc/45/46/79/822454679.db2.gz FQDQDOLBMNRJFO-BXUZGUMPSA-N 1 1 385.327 4.077 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C1CC1 ZINC000179233562 822454989 /nfs/dbraw/zinc/45/49/89/822454989.db2.gz HBHZAEOEGRNDHH-LIRRHRJNSA-N 1 1 388.943 4.418 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000454307755 822455634 /nfs/dbraw/zinc/45/56/34/822455634.db2.gz IRFMQQDYHVUPPL-YADHBBJMSA-N 1 1 399.579 4.018 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccco2)Cc2cccs2)[C@@H]1c1ccccc1 ZINC000179264663 822458995 /nfs/dbraw/zinc/45/89/95/822458995.db2.gz OCWLRKULXDGRGV-SFTDATJTSA-N 1 1 395.528 4.498 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccco2)[C@@H]1c1ccccc1 ZINC000179271716 822459606 /nfs/dbraw/zinc/45/96/06/822459606.db2.gz YUCZDEOEPXEUQD-SFTDATJTSA-N 1 1 379.460 4.030 20 0 GIADMO C[C@@H]1CN(c2ccc(C[NH2+][C@H](c3ccco3)c3ccccc3)cn2)C[C@@H](C)O1 ZINC000183358599 822463363 /nfs/dbraw/zinc/46/33/63/822463363.db2.gz JLNLIDMXXPZWAX-PNCHPQGNSA-N 1 1 377.488 4.167 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3cnn(C)c3C)cs2)cc1OC ZINC000183357394 822463381 /nfs/dbraw/zinc/46/33/81/822463381.db2.gz RKIHZKARYFSWCK-CYBMUJFWSA-N 1 1 386.521 4.110 20 0 GIADMO O[C@H](COc1ccccc1F)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000046343369 822463606 /nfs/dbraw/zinc/46/36/06/822463606.db2.gz JNAYFZZXCOSTHA-CVEARBPZSA-N 1 1 386.492 4.055 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc([C@H](C)C(F)(F)F)cc3)sc2C1 ZINC000454372479 822464400 /nfs/dbraw/zinc/46/44/00/822464400.db2.gz FCRVTBREUARNTG-NSHDSACASA-N 1 1 383.439 4.439 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc([C@H](C)C(F)(F)F)cc3)sc2C1 ZINC000454372479 822464402 /nfs/dbraw/zinc/46/44/02/822464402.db2.gz FCRVTBREUARNTG-NSHDSACASA-N 1 1 383.439 4.439 20 0 GIADMO Cc1nc2ccc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H](C)C3)cc2o1 ZINC000454379649 822465709 /nfs/dbraw/zinc/46/57/09/822465709.db2.gz NVQFBPSQPBYMLF-MRXNPFEDSA-N 1 1 378.476 4.122 20 0 GIADMO COc1ccccc1Oc1ccc(NC(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000454383185 822466261 /nfs/dbraw/zinc/46/62/61/822466261.db2.gz VWLDHHHUDSNWKV-UHFFFAOYSA-N 1 1 383.492 4.483 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC1 ZINC000454397216 822468803 /nfs/dbraw/zinc/46/88/03/822468803.db2.gz YOGSATDNQKZCPO-UHFFFAOYSA-N 1 1 378.476 4.491 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000183411694 822470279 /nfs/dbraw/zinc/47/02/79/822470279.db2.gz YBPSGZMMCSFIMZ-SBUREZEXSA-N 1 1 376.456 4.074 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000046403877 822470471 /nfs/dbraw/zinc/47/04/71/822470471.db2.gz DIJQIVUVCVMAFA-UHFFFAOYSA-N 1 1 378.303 4.388 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)CCc3ccc(Cl)s3)cc2)CC1 ZINC000046404176 822470595 /nfs/dbraw/zinc/47/05/95/822470595.db2.gz SODZHCHRXZMRHR-UHFFFAOYSA-N 1 1 377.941 4.115 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)o1 ZINC000046404412 822470662 /nfs/dbraw/zinc/47/06/62/822470662.db2.gz MBHJADBNYWBEQR-UTKZUKDTSA-N 1 1 381.520 4.116 20 0 GIADMO Cc1cccc(C2(C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)CCC2)c1 ZINC000046404073 822470685 /nfs/dbraw/zinc/47/06/85/822470685.db2.gz ZILKIOAZOWXCKM-UHFFFAOYSA-N 1 1 377.532 4.197 20 0 GIADMO C[C@H](c1nc(-c2ccccc2)no1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388530 822475570 /nfs/dbraw/zinc/47/55/70/822475570.db2.gz RWGDNULKCKVYOW-GOSISDBHSA-N 1 1 391.519 4.431 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179388498 822475612 /nfs/dbraw/zinc/47/56/12/822475612.db2.gz YYZHMTRTTUHANJ-INIZCTEOSA-N 1 1 384.524 4.202 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000179393301 822476369 /nfs/dbraw/zinc/47/63/69/822476369.db2.gz DGXZCQDPIZKVNW-SFHVURJKSA-N 1 1 398.526 4.095 20 0 GIADMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1C(F)(F)F ZINC000179402055 822477636 /nfs/dbraw/zinc/47/76/36/822477636.db2.gz ZTARSXGKBZAPHX-IBGZPJMESA-N 1 1 392.421 4.150 20 0 GIADMO COc1c(C)ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000454452792 822478059 /nfs/dbraw/zinc/47/80/59/822478059.db2.gz UIVDJVDHBVDCLU-KRWDZBQOSA-N 1 1 381.520 4.298 20 0 GIADMO COc1ccc(COCc2cccc(NC(=O)c3c[nH+]ccc3N(C)C)c2)cc1 ZINC000183462908 822478774 /nfs/dbraw/zinc/47/87/74/822478774.db2.gz HKCDSVYFEVDIRU-UHFFFAOYSA-N 1 1 391.471 4.125 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000179410498 822478938 /nfs/dbraw/zinc/47/89/38/822478938.db2.gz LODWQMFWMOCKOX-KSZLIROESA-N 1 1 386.511 4.294 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000183463799 822478966 /nfs/dbraw/zinc/47/89/66/822478966.db2.gz JRLDPUBXJJCHLM-LBPRGKRZSA-N 1 1 380.847 4.094 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183464540 822478991 /nfs/dbraw/zinc/47/89/91/822478991.db2.gz UQDFHZRQROFSBL-GJZGRUSLSA-N 1 1 381.467 4.371 20 0 GIADMO CC[N@H+](Cc1cnn(Cc2ccccc2)c1)CC1CCN(c2ccccn2)CC1 ZINC000179435214 822482201 /nfs/dbraw/zinc/48/22/01/822482201.db2.gz MAMSQTHCVMJQEN-UHFFFAOYSA-N 1 1 389.547 4.065 20 0 GIADMO Cc1ccnc(-c2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2)n1 ZINC000183483901 822483371 /nfs/dbraw/zinc/48/33/71/822483371.db2.gz JTQPKTAWGHTFAA-PKOBYXMFSA-N 1 1 393.535 4.227 20 0 GIADMO Cc1cnn(-c2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2F)c1 ZINC000183488092 822484217 /nfs/dbraw/zinc/48/42/17/822484217.db2.gz AADUNJWUTDHRRI-DLBZAZTESA-N 1 1 399.514 4.094 20 0 GIADMO Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000183492678 822484991 /nfs/dbraw/zinc/48/49/91/822484991.db2.gz YLVDDXXVUVHWPG-JOCHJYFZSA-N 1 1 393.556 4.282 20 0 GIADMO COCC1(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CCCC1 ZINC000454498648 822485322 /nfs/dbraw/zinc/48/53/22/822485322.db2.gz DQLXIVTZVJHAJM-UHFFFAOYSA-N 1 1 384.524 4.383 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183499864 822486443 /nfs/dbraw/zinc/48/64/43/822486443.db2.gz GZTJDKBUBZGNFH-STQMWFEESA-N 1 1 385.430 4.202 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C2CC2)n1 ZINC000183505405 822487402 /nfs/dbraw/zinc/48/74/02/822487402.db2.gz YXSNNYJRCMWXLP-ZUZCIYMTSA-N 1 1 390.509 4.268 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(OCC(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000179479041 822488639 /nfs/dbraw/zinc/48/86/39/822488639.db2.gz ORJJKFZBRBDMCE-MSOLQXFVSA-N 1 1 393.409 4.195 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@@H](C)c3cccc(C4CC4)c3)CC2)[nH+]1 ZINC000454515694 822488713 /nfs/dbraw/zinc/48/87/13/822488713.db2.gz CUXDTYDROJDXAJ-KRWDZBQOSA-N 1 1 378.520 4.297 20 0 GIADMO Cc1cccc(NC2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)CC2)c1 ZINC000179481337 822488952 /nfs/dbraw/zinc/48/89/52/822488952.db2.gz IXRHUASTXCDDCX-XZOQPEGZSA-N 1 1 392.547 4.026 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@H]3c3ccc(F)cc3C)CC2)[nH+]1 ZINC000454516453 822489151 /nfs/dbraw/zinc/48/91/51/822489151.db2.gz DWPLKJDIPMQHLK-NRFANRHFSA-N 1 1 396.510 4.353 20 0 GIADMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)n1Cc1cccs1 ZINC000179482109 822489320 /nfs/dbraw/zinc/48/93/20/822489320.db2.gz BXPJPIMDJQVRAX-HRAATJIYSA-N 1 1 396.560 4.177 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(COc2ccccc2)cc1)c1ccco1 ZINC000179486175 822489769 /nfs/dbraw/zinc/48/97/69/822489769.db2.gz MRMGJWLVQDBNKA-HXUWFJFHSA-N 1 1 379.460 4.283 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)n1 ZINC000183533997 822491237 /nfs/dbraw/zinc/49/12/37/822491237.db2.gz HMGFGPHMFGAQGO-DOTOQJQBSA-N 1 1 375.925 4.341 20 0 GIADMO Clc1cccc(-c2cnc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)o2)c1 ZINC000179499875 822492049 /nfs/dbraw/zinc/49/20/49/822492049.db2.gz XCJRFFHKSCACHY-OAHLLOKOSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1cccc(-c2cnc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)o2)c1 ZINC000179499875 822492052 /nfs/dbraw/zinc/49/20/52/822492052.db2.gz XCJRFFHKSCACHY-OAHLLOKOSA-N 1 1 383.883 4.370 20 0 GIADMO CCC(CC)n1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000183553403 822493866 /nfs/dbraw/zinc/49/38/66/822493866.db2.gz OSQHMUQSHXUNHV-XDNSSPFJSA-N 1 1 394.563 4.478 20 0 GIADMO C[C@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cccc(-n2cccn2)c1 ZINC000183566484 822495747 /nfs/dbraw/zinc/49/57/47/822495747.db2.gz YXRXIBDFIYHTIF-LBPRGKRZSA-N 1 1 399.376 4.190 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000179543343 822500294 /nfs/dbraw/zinc/50/02/94/822500294.db2.gz BMKYFNCQJAYLPO-MRXNPFEDSA-N 1 1 383.540 4.073 20 0 GIADMO C[C@@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179553716 822502418 /nfs/dbraw/zinc/50/24/18/822502418.db2.gz VJFALNFUGWMIBQ-QVKFZJNVSA-N 1 1 399.491 4.032 20 0 GIADMO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc(F)cc(F)c1 ZINC000179555874 822503032 /nfs/dbraw/zinc/50/30/32/822503032.db2.gz MQSZAWWSYZGGTI-MRFFXTKBSA-N 1 1 380.866 4.341 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cn(C)nc1-c1cccs1 ZINC000179569631 822505187 /nfs/dbraw/zinc/50/51/87/822505187.db2.gz CNSFBTKWSVDWJJ-UHFFFAOYSA-N 1 1 398.532 4.008 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cn(C)nc1-c1cccs1 ZINC000179569631 822505191 /nfs/dbraw/zinc/50/51/91/822505191.db2.gz CNSFBTKWSVDWJJ-UHFFFAOYSA-N 1 1 398.532 4.008 20 0 GIADMO C[C@H](CCNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000183643065 822505654 /nfs/dbraw/zinc/50/56/54/822505654.db2.gz NXXQKOITRIOCKJ-KNKQGSTJSA-N 1 1 380.536 4.085 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCCC1(F)F ZINC000454610409 822505786 /nfs/dbraw/zinc/50/57/86/822505786.db2.gz JEAIQQIODFVAFH-QRQLOZEOSA-N 1 1 379.495 4.022 20 0 GIADMO COc1ccccc1C[N@@H+](C)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000179588635 822507868 /nfs/dbraw/zinc/50/78/68/822507868.db2.gz XFZHHLXTKQSUSR-UHFFFAOYSA-N 1 1 378.472 4.310 20 0 GIADMO Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(Sc2ccccc2)c1 ZINC000183665591 822507963 /nfs/dbraw/zinc/50/79/63/822507963.db2.gz BEQYHDBUWFKIRE-LJQANCHMSA-N 1 1 398.572 4.113 20 0 GIADMO O=C(NC[C@@H]1CCCCC1(F)F)Nc1ccccc1C[NH+]1CCSCC1 ZINC000454631627 822509484 /nfs/dbraw/zinc/50/94/84/822509484.db2.gz NKBUDGDRBYFFJQ-INIZCTEOSA-N 1 1 383.508 4.182 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)NC1CCc2ccccc2CC1 ZINC000454642836 822511237 /nfs/dbraw/zinc/51/12/37/822511237.db2.gz GHWITCKCIMMYCJ-UHFFFAOYSA-N 1 1 395.572 4.305 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000179631497 822516187 /nfs/dbraw/zinc/51/61/87/822516187.db2.gz NHCQWIUDZFQBIM-QGZVFWFLSA-N 1 1 379.504 4.094 20 0 GIADMO O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183721600 822516675 /nfs/dbraw/zinc/51/66/75/822516675.db2.gz VJVRAFPDYGMBOH-UNMCSNQZSA-N 1 1 381.495 4.081 20 0 GIADMO CO[C@H](C)c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454685554 822517118 /nfs/dbraw/zinc/51/71/18/822517118.db2.gz RADBGEGMHFTFFI-RTBURBONSA-N 1 1 381.520 4.380 20 0 GIADMO Cc1cc2cc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)oc2c(Br)c1 ZINC000183731293 822517973 /nfs/dbraw/zinc/51/79/73/822517973.db2.gz KZWTVGBYGZYZFM-CJNGLKHVSA-N 1 1 391.309 4.060 20 0 GIADMO COc1cc(C[NH2+]Cc2ncc(C(C)C)s2)cc(Br)c1OC ZINC000183734708 822518839 /nfs/dbraw/zinc/51/88/39/822518839.db2.gz BSIHSVUXBLZOCT-UHFFFAOYSA-N 1 1 385.327 4.336 20 0 GIADMO COc1ccc([C@@H](CN[C@H](c2ccco2)c2ccccc2)[NH+](C)C)cc1OC ZINC000183740018 822520184 /nfs/dbraw/zinc/52/01/84/822520184.db2.gz NFRNIWALVUHPMR-XXBNENTESA-N 1 1 380.488 4.279 20 0 GIADMO CC(C)CN(C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179655354 822521345 /nfs/dbraw/zinc/52/13/45/822521345.db2.gz JXBRNBWBDBONBF-HNAYVOBHSA-N 1 1 381.923 4.302 20 0 GIADMO CCN(Cc1nnc(Cc2ccccc2C)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183753840 822522637 /nfs/dbraw/zinc/52/26/37/822522637.db2.gz SOLKJOTVUXZWGY-JOCHJYFZSA-N 1 1 390.531 4.065 20 0 GIADMO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)CCc2ccncc2)c1 ZINC000183759950 822523631 /nfs/dbraw/zinc/52/36/31/822523631.db2.gz LKHPOLAFZRQMPC-UHFFFAOYSA-N 1 1 378.520 4.383 20 0 GIADMO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000183761883 822524016 /nfs/dbraw/zinc/52/40/16/822524016.db2.gz AXEIZTIZCAWTKO-CYBMUJFWSA-N 1 1 381.303 4.107 20 0 GIADMO C[C@H](c1ccncc1)[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000179672015 822524053 /nfs/dbraw/zinc/52/40/53/822524053.db2.gz HEXMKHBFAVDZBW-CQSZACIVSA-N 1 1 383.293 4.494 20 0 GIADMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000179672015 822524056 /nfs/dbraw/zinc/52/40/56/822524056.db2.gz HEXMKHBFAVDZBW-CQSZACIVSA-N 1 1 383.293 4.494 20 0 GIADMO COc1c(C)c[nH+]c(CN(C)Cc2ccccc2OCc2cccnc2)c1C ZINC000183781091 822527647 /nfs/dbraw/zinc/52/76/47/822527647.db2.gz RXMIHBFQQKOLDK-UHFFFAOYSA-N 1 1 377.488 4.313 20 0 GIADMO Cc1cc([C@@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c(C)o1 ZINC000183791633 822528469 /nfs/dbraw/zinc/52/84/69/822528469.db2.gz XDDFDEXKNAJLEH-KDOFPFPSSA-N 1 1 381.432 4.111 20 0 GIADMO CCOc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cnn2ccccc12 ZINC000179696724 822529602 /nfs/dbraw/zinc/52/96/02/822529602.db2.gz QRYONGDZSSADNK-UHFFFAOYSA-N 1 1 389.503 4.022 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)ccc1OCc1ccncc1 ZINC000179704977 822531471 /nfs/dbraw/zinc/53/14/71/822531471.db2.gz UOYBBLVZIRXGND-OAQYLSRUSA-N 1 1 377.488 4.345 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC(C)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000454776995 822531992 /nfs/dbraw/zinc/53/19/92/822531992.db2.gz UGTIJKJXOHVNKG-SJORKVTESA-N 1 1 389.437 4.223 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCC(C)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000454776995 822531993 /nfs/dbraw/zinc/53/19/93/822531993.db2.gz UGTIJKJXOHVNKG-SJORKVTESA-N 1 1 389.437 4.223 20 0 GIADMO Cc1noc(C)c1CSCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934136 822532391 /nfs/dbraw/zinc/53/23/91/822532391.db2.gz WUXUGSVZNMIHFA-OAHLLOKOSA-N 1 1 387.549 4.395 20 0 GIADMO C[C@H]([NH2+]Cc1nnc2ccccn21)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000183824013 822532509 /nfs/dbraw/zinc/53/25/09/822532509.db2.gz NNWKZBYESWDVSJ-INIZCTEOSA-N 1 1 376.435 4.298 20 0 GIADMO CC(=O)N1CCc2cc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)ccc21 ZINC000046934530 822532527 /nfs/dbraw/zinc/53/25/27/822532527.db2.gz YVUVTZFOHLFHBZ-QGZVFWFLSA-N 1 1 391.515 4.080 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](C4(C)OCCO4)C3)cs2)cc1 ZINC000183825598 822532835 /nfs/dbraw/zinc/53/28/35/822532835.db2.gz SHLMESUCMVPXBJ-KRWDZBQOSA-N 1 1 388.533 4.184 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000046988473 822535969 /nfs/dbraw/zinc/53/59/69/822535969.db2.gz ZXOVUMPJQOBRGJ-QGZVFWFLSA-N 1 1 387.499 4.184 20 0 GIADMO Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccco1 ZINC000046990448 822536021 /nfs/dbraw/zinc/53/60/21/822536021.db2.gz SNXVHXGDQMSMHY-KRWDZBQOSA-N 1 1 397.519 4.082 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(Cl)c1OC ZINC000179736687 822538975 /nfs/dbraw/zinc/53/89/75/822538975.db2.gz CBVNNNDFYDLQIR-AWEZNQCLSA-N 1 1 398.931 4.094 20 0 GIADMO CC(C)c1cnc(-c2ccc(NC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2)o1 ZINC000454822855 822540935 /nfs/dbraw/zinc/54/09/35/822540935.db2.gz WGYGKZDKUUWMQT-QFIPXVFZSA-N 1 1 382.508 4.415 20 0 GIADMO OCCC[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1 ZINC000179742798 822540994 /nfs/dbraw/zinc/54/09/94/822540994.db2.gz BXBYSBGNIXVERO-NRFANRHFSA-N 1 1 379.479 4.104 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000179745764 822541578 /nfs/dbraw/zinc/54/15/78/822541578.db2.gz GZWQIBABPUZTMN-UHFFFAOYSA-N 1 1 389.293 4.005 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCCc4ccc(C)cc43)CC2)cs1 ZINC000179749254 822542162 /nfs/dbraw/zinc/54/21/62/822542162.db2.gz DPOPJBWEJIRZCV-NRFANRHFSA-N 1 1 383.561 4.166 20 0 GIADMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)ccc1Br ZINC000183920973 822546645 /nfs/dbraw/zinc/54/66/45/822546645.db2.gz NLZOCNSTZSNFLS-CHWSQXEVSA-N 1 1 396.354 4.277 20 0 GIADMO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c2nccs2)ccc1Br ZINC000183920973 822546650 /nfs/dbraw/zinc/54/66/50/822546650.db2.gz NLZOCNSTZSNFLS-CHWSQXEVSA-N 1 1 396.354 4.277 20 0 GIADMO Cc1ccccc1Sc1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000179765384 822547408 /nfs/dbraw/zinc/54/74/08/822547408.db2.gz REJZTYGCYYPSIY-UHFFFAOYSA-N 1 1 398.572 4.065 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000047144039 822548393 /nfs/dbraw/zinc/54/83/93/822548393.db2.gz LSORUHDQCLMUCF-GFCCVEGCSA-N 1 1 379.863 4.047 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)s1 ZINC000183933181 822549632 /nfs/dbraw/zinc/54/96/32/822549632.db2.gz RJWIOVZQCHXMHM-NSHDSACASA-N 1 1 386.348 4.460 20 0 GIADMO Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179776539 822550569 /nfs/dbraw/zinc/55/05/69/822550569.db2.gz DZEOFOULIWSSQY-FQEVSTJZSA-N 1 1 387.462 4.310 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3nc(-c4ccco4)cs3)cc2)C[C@H](C)O1 ZINC000047171007 822550616 /nfs/dbraw/zinc/55/06/16/822550616.db2.gz BWGYSZHAIFYECC-GJZGRUSLSA-N 1 1 397.500 4.265 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000179780318 822551442 /nfs/dbraw/zinc/55/14/42/822551442.db2.gz FLRJXPHDNKMNJY-INIZCTEOSA-N 1 1 380.467 4.330 20 0 GIADMO C[C@@H](CC(C)(C)C)NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000454889134 822551535 /nfs/dbraw/zinc/55/15/35/822551535.db2.gz LIGXVWCFWMYTMY-KRWDZBQOSA-N 1 1 398.551 4.430 20 0 GIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cnn1-c1ccccn1 ZINC000047191026 822553018 /nfs/dbraw/zinc/55/30/18/822553018.db2.gz BRNYZWBAKSCVHF-KRWDZBQOSA-N 1 1 389.503 4.202 20 0 GIADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C1 ZINC000179789086 822553378 /nfs/dbraw/zinc/55/33/78/822553378.db2.gz APJDNSPTDSFOFW-OAHLLOKOSA-N 1 1 384.442 4.056 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000183971346 822555905 /nfs/dbraw/zinc/55/59/05/822555905.db2.gz FSVDKLFBHDZVMG-UHFFFAOYSA-N 1 1 394.544 4.445 20 0 GIADMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000183993655 822559876 /nfs/dbraw/zinc/55/98/76/822559876.db2.gz LPYGSXUWDYQWKW-QHAWAJNXSA-N 1 1 391.600 4.019 20 0 GIADMO COc1cc(Br)c(C[N@@H+](C)C[C@@H](C)c2nccs2)cc1OC ZINC000184002647 822561835 /nfs/dbraw/zinc/56/18/35/822561835.db2.gz QOSIFFSQQGWFAB-LLVKDONJSA-N 1 1 385.327 4.158 20 0 GIADMO CCCC[N@H+](C)c1ccc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000179830957 822561812 /nfs/dbraw/zinc/56/18/12/822561812.db2.gz TUGZJQFDPPSICH-MRXNPFEDSA-N 1 1 375.538 4.468 20 0 GIADMO CCCC[N@@H+](C)c1ccc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000179830957 822561813 /nfs/dbraw/zinc/56/18/13/822561813.db2.gz TUGZJQFDPPSICH-MRXNPFEDSA-N 1 1 375.538 4.468 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1nccs1 ZINC000184007466 822562889 /nfs/dbraw/zinc/56/28/89/822562889.db2.gz DTPBAKVIKNQEBU-JTQLQIEISA-N 1 1 389.855 4.072 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1nccs1 ZINC000184007466 822562890 /nfs/dbraw/zinc/56/28/90/822562890.db2.gz DTPBAKVIKNQEBU-JTQLQIEISA-N 1 1 389.855 4.072 20 0 GIADMO Cc1cc(CNC(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)cc(N2CCCC2)[nH+]1 ZINC000454965454 822564093 /nfs/dbraw/zinc/56/40/93/822564093.db2.gz DNSLIOMQMYQXRB-IRXDYDNUSA-N 1 1 398.473 4.301 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@]3(C)Cc3ccccc3)CC2)cs1 ZINC000184026238 822566819 /nfs/dbraw/zinc/56/68/19/822566819.db2.gz PTPJKMFNAKBQIZ-QHCPKHFHSA-N 1 1 397.588 4.287 20 0 GIADMO O=C(NC[C@@H]1CCCC1(F)F)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000454991250 822566947 /nfs/dbraw/zinc/56/69/47/822566947.db2.gz ZNQWURSHQYHVNX-OALUTQOASA-N 1 1 379.495 4.023 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)cn1 ZINC000179862172 822567981 /nfs/dbraw/zinc/56/79/81/822567981.db2.gz YNHVEHPRRRCJRH-OAHLLOKOSA-N 1 1 382.895 4.114 20 0 GIADMO Cc1ccc(F)c(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000047346744 822569290 /nfs/dbraw/zinc/56/92/90/822569290.db2.gz VMRVMEGSNMTBJP-UHFFFAOYSA-N 1 1 377.410 4.198 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Cl)cc3Br)C2)C1 ZINC000455008166 822569594 /nfs/dbraw/zinc/56/95/94/822569594.db2.gz ZCJJSHGMUZEUEO-MRXNPFEDSA-N 1 1 386.721 4.052 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCC(=O)Nc1ccccc1)C1CCCCC1 ZINC000047351186 822569898 /nfs/dbraw/zinc/56/98/98/822569898.db2.gz HDUMWIZYIFSPBP-UHFFFAOYSA-N 1 1 394.519 4.211 20 0 GIADMO COc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1OC(=O)C1CC1 ZINC000179878819 822570259 /nfs/dbraw/zinc/57/02/59/822570259.db2.gz PXUSFTMEJATDFC-UHFFFAOYSA-N 1 1 393.483 4.106 20 0 GIADMO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000179899909 822573605 /nfs/dbraw/zinc/57/36/05/822573605.db2.gz NOZGQVBPMQBTBK-INIZCTEOSA-N 1 1 385.483 4.114 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000179919197 822577293 /nfs/dbraw/zinc/57/72/93/822577293.db2.gz SATKORMFXHUNLI-HZPDHXFCSA-N 1 1 385.483 4.112 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000179919290 822577311 /nfs/dbraw/zinc/57/73/11/822577311.db2.gz CYTNPLVVQUQWAT-GRDNDAEWSA-N 1 1 376.497 4.299 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)cc1 ZINC000179943910 822582448 /nfs/dbraw/zinc/58/24/48/822582448.db2.gz DZMHLDKTCCVTFE-ZDUSSCGKSA-N 1 1 397.924 4.002 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccnc(OC3CCCCC3)c2)C1 ZINC000179948205 822583460 /nfs/dbraw/zinc/58/34/60/822583460.db2.gz BIQBZTZTBMPNDR-SFHVURJKSA-N 1 1 382.508 4.029 20 0 GIADMO CCCN1CCC([N@H+](C)Cc2ccc(Br)c3cccnc23)CC1 ZINC000179948845 822583808 /nfs/dbraw/zinc/58/38/08/822583808.db2.gz FULFKOQBAPCRBI-UHFFFAOYSA-N 1 1 376.342 4.304 20 0 GIADMO CCCN1CCC([N@@H+](C)Cc2ccc(Br)c3cccnc23)CC1 ZINC000179948845 822583810 /nfs/dbraw/zinc/58/38/10/822583810.db2.gz FULFKOQBAPCRBI-UHFFFAOYSA-N 1 1 376.342 4.304 20 0 GIADMO CCC[NH+]1CCC(N(C)Cc2ccc(Br)c3cccnc23)CC1 ZINC000179948845 822583813 /nfs/dbraw/zinc/58/38/13/822583813.db2.gz FULFKOQBAPCRBI-UHFFFAOYSA-N 1 1 376.342 4.304 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000047522220 822586840 /nfs/dbraw/zinc/58/68/40/822586840.db2.gz DUVADBSFXHQXQV-SFHVURJKSA-N 1 1 391.515 4.440 20 0 GIADMO COc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc(OC)c1OC ZINC000047522239 822586899 /nfs/dbraw/zinc/58/68/99/822586899.db2.gz GDYGSRJMVIUWMR-INIZCTEOSA-N 1 1 398.503 4.339 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000047522364 822586945 /nfs/dbraw/zinc/58/69/45/822586945.db2.gz YKIFLJLVOHRADB-GOSISDBHSA-N 1 1 391.515 4.440 20 0 GIADMO O=C(N[C@H]1CCC[C@H]1F)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000455088580 822587376 /nfs/dbraw/zinc/58/73/76/822587376.db2.gz JPWCHIKFJWHNAZ-SJORKVTESA-N 1 1 388.314 4.148 20 0 GIADMO Cc1noc(C)c1CN(C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000047571354 822592440 /nfs/dbraw/zinc/59/24/40/822592440.db2.gz SDEHXDYBLOTDIP-UHFFFAOYSA-N 1 1 381.480 4.324 20 0 GIADMO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000180003192 822593748 /nfs/dbraw/zinc/59/37/48/822593748.db2.gz IXHJOZKKECJPRJ-UHFFFAOYSA-N 1 1 389.474 4.236 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@](O)(c3ccc(C)o3)C(F)(F)F)c2C1 ZINC000180006764 822594785 /nfs/dbraw/zinc/59/47/85/822594785.db2.gz QMHZRASNCGCYHG-LJQANCHMSA-N 1 1 396.409 4.092 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C[C@@](O)(c3ccc(C)o3)C(F)(F)F)c2C1 ZINC000180006764 822594787 /nfs/dbraw/zinc/59/47/87/822594787.db2.gz QMHZRASNCGCYHG-LJQANCHMSA-N 1 1 396.409 4.092 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OC)c(OC(C)C)c2)CC1 ZINC000184219541 822598223 /nfs/dbraw/zinc/59/82/23/822598223.db2.gz NJZRTGLBVIFDOF-UHFFFAOYSA-N 1 1 391.556 4.458 20 0 GIADMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCCc1cnn(C)c1)CC2 ZINC000047660181 822599155 /nfs/dbraw/zinc/59/91/55/822599155.db2.gz RQFCUPFSSPESIO-QFIPXVFZSA-N 1 1 397.544 4.079 20 0 GIADMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCCc1cnn(C)c1)CC2 ZINC000047660178 822599182 /nfs/dbraw/zinc/59/91/82/822599182.db2.gz RQFCUPFSSPESIO-JOCHJYFZSA-N 1 1 397.544 4.079 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N)C1CCCCC1 ZINC000184226103 822599268 /nfs/dbraw/zinc/59/92/68/822599268.db2.gz PPSGTRWGJSUGND-UHFFFAOYSA-N 1 1 382.464 4.194 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1nc2ccccc2n1C ZINC000180037681 822602187 /nfs/dbraw/zinc/60/21/87/822602187.db2.gz BGZFGEFTGWSVKW-INIZCTEOSA-N 1 1 385.471 4.071 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(F)c(Br)c1 ZINC000180056245 822605470 /nfs/dbraw/zinc/60/54/70/822605470.db2.gz WESNABIVIIUBJF-UGSOOPFHSA-N 1 1 378.289 4.306 20 0 GIADMO CC[C@@H](C)Oc1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)ccn1 ZINC000180063895 822607041 /nfs/dbraw/zinc/60/70/41/822607041.db2.gz ORELCDQLDZCOHH-MRXNPFEDSA-N 1 1 385.533 4.060 20 0 GIADMO C[C@H](C[S@](C)=O)[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000184282628 822608179 /nfs/dbraw/zinc/60/81/79/822608179.db2.gz APZBSHXAVTUTKX-WAQMSGSHSA-N 1 1 384.314 4.034 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)Nc3nc(C4CC4)cs3)CC[N@H+]2C2CC2)c1 ZINC000180067677 822608315 /nfs/dbraw/zinc/60/83/15/822608315.db2.gz YDJVISACHYNBDU-MJGOQNOKSA-N 1 1 398.532 4.129 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1ccco1 ZINC000047792482 822609564 /nfs/dbraw/zinc/60/95/64/822609564.db2.gz XCZKYNFLZSRLPZ-CABCVRRESA-N 1 1 379.913 4.072 20 0 GIADMO CO[C@H](C)C(=O)Nc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180095616 822614508 /nfs/dbraw/zinc/61/45/08/822614508.db2.gz JRRBMPPUNHRTDP-JYBLXFRWSA-N 1 1 393.531 4.268 20 0 GIADMO O=C(CCc1ccncc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184323153 822615136 /nfs/dbraw/zinc/61/51/36/822615136.db2.gz WSWHKWSXDPMDCN-UHFFFAOYSA-N 1 1 392.330 4.102 20 0 GIADMO CCN(CC)[C@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccsc1 ZINC000180107324 822616627 /nfs/dbraw/zinc/61/66/27/822616627.db2.gz WEJKUZBTJQMTAJ-NHCUHLMSSA-N 1 1 386.540 4.383 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(OC(F)F)c1 ZINC000047905858 822618318 /nfs/dbraw/zinc/61/83/18/822618318.db2.gz UEJBXDLVVWYERO-UHFFFAOYSA-N 1 1 377.435 4.450 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(SC)cc1)[NH+](C)C ZINC000047914696 822619104 /nfs/dbraw/zinc/61/91/04/822619104.db2.gz GKLSGPKFHRFMPA-KXBFYZLASA-N 1 1 387.549 4.080 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1cc(C)sc1C)[NH+](C)C ZINC000047914553 822619111 /nfs/dbraw/zinc/61/91/11/822619111.db2.gz LWILHIILVIATDS-KDOFPFPSSA-N 1 1 375.538 4.037 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(Cl)s1)[NH+](C)C ZINC000047914175 822619126 /nfs/dbraw/zinc/61/91/26/822619126.db2.gz MAZRULREKOJECW-OCCSQVGLSA-N 1 1 381.929 4.073 20 0 GIADMO Cc1ccc(-n2ncc(NC(=O)NCCCC[N@@H+](C)C3CC3)c2C(C)C)cc1 ZINC000455258842 822619662 /nfs/dbraw/zinc/61/96/62/822619662.db2.gz JMMFVWLQQRRHIZ-UHFFFAOYSA-N 1 1 383.540 4.300 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Br)ccc2Cl)[C@@H]1c1ccccc1 ZINC000180125297 822620528 /nfs/dbraw/zinc/62/05/28/822620528.db2.gz CNAGLXIYYDCTJD-SJORKVTESA-N 1 1 393.712 4.278 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)c2cccc(F)c2)cn1 ZINC000180129045 822621547 /nfs/dbraw/zinc/62/15/47/822621547.db2.gz WEOGTYIQGDNPOK-IBGZPJMESA-N 1 1 393.384 4.380 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1nc(C)cs1 ZINC000184362140 822622425 /nfs/dbraw/zinc/62/24/25/822622425.db2.gz FMGBCUWQKDKEIR-WFASDCNBSA-N 1 1 396.354 4.132 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)c1nc(C)cs1 ZINC000184362195 822622487 /nfs/dbraw/zinc/62/24/87/822622487.db2.gz FMGBCUWQKDKEIR-IUODEOHRSA-N 1 1 396.354 4.132 20 0 GIADMO Cc1ccccc1C(NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1C ZINC000184372522 822623928 /nfs/dbraw/zinc/62/39/28/822623928.db2.gz ITDFOXTZUJRGSS-SIKLNZKXSA-N 1 1 379.548 4.374 20 0 GIADMO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000184374280 822624069 /nfs/dbraw/zinc/62/40/69/822624069.db2.gz HZIAAICMZYPVGT-LRDDRELGSA-N 1 1 399.869 4.422 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000184379348 822625160 /nfs/dbraw/zinc/62/51/60/822625160.db2.gz RYYMJOLPAHBTRH-GFCCVEGCSA-N 1 1 375.847 4.137 20 0 GIADMO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1N(C)C ZINC000180144711 822625733 /nfs/dbraw/zinc/62/57/33/822625733.db2.gz JINYAEABAAUHLN-JXFKEZNVSA-N 1 1 386.565 4.327 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046715 822626474 /nfs/dbraw/zinc/62/64/74/822626474.db2.gz NZFZLEYEXNHZTP-OALUTQOASA-N 1 1 399.579 4.108 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1OCC ZINC000048054629 822627545 /nfs/dbraw/zinc/62/75/45/822627545.db2.gz OKIVWSGPVPZXSI-UHFFFAOYSA-N 1 1 377.529 4.068 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000048055204 822627598 /nfs/dbraw/zinc/62/75/98/822627598.db2.gz UMRNRHBTWVEILC-UHFFFAOYSA-N 1 1 375.900 4.123 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2ncccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000180154638 822628324 /nfs/dbraw/zinc/62/83/24/822628324.db2.gz UQJXHLYSCHZFLM-RDJZCZTQSA-N 1 1 391.437 4.226 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21)c1nc(C)cs1 ZINC000184399553 822628458 /nfs/dbraw/zinc/62/84/58/822628458.db2.gz FZPGKUYYPGCCCD-GJZGRUSLSA-N 1 1 375.563 4.410 20 0 GIADMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180170658 822631768 /nfs/dbraw/zinc/63/17/68/822631768.db2.gz DALSTZCKPWLOKX-KRWDZBQOSA-N 1 1 391.987 4.315 20 0 GIADMO COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC1CCCC1 ZINC000184427884 822633137 /nfs/dbraw/zinc/63/31/37/822633137.db2.gz HFLOPUYDOGXRQI-GHTZIAJQSA-N 1 1 398.547 4.106 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000180183130 822634389 /nfs/dbraw/zinc/63/43/89/822634389.db2.gz PIPUNSWDDZKAKP-IBGZPJMESA-N 1 1 394.563 4.204 20 0 GIADMO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cnn1-c1cccc(Cl)c1 ZINC000180189996 822635768 /nfs/dbraw/zinc/63/57/68/822635768.db2.gz PQCGWZNLNJPOPU-LEWJYISDSA-N 1 1 394.906 4.009 20 0 GIADMO COc1ccc(NC(=O)[C@H]([NH2+]CCOC(C)C)c2ccccc2)cc1Cl ZINC000184479188 822642974 /nfs/dbraw/zinc/64/29/74/822642974.db2.gz GSDFODPMAZTGTN-LJQANCHMSA-N 1 1 376.884 4.043 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CN[C@@H](c3ccccc3)c3ccccn3)c2)CCO1 ZINC000180230917 822644452 /nfs/dbraw/zinc/64/44/52/822644452.db2.gz IFTZYEKSDKMIOK-CPJSRVTESA-N 1 1 387.527 4.182 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CN[C@@H](c3ccccc3)c3ccccn3)c2)CCO1 ZINC000180230917 822644454 /nfs/dbraw/zinc/64/44/54/822644454.db2.gz IFTZYEKSDKMIOK-CPJSRVTESA-N 1 1 387.527 4.182 20 0 GIADMO C[C@H]1CN(Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)c2)CCO1 ZINC000180230917 822644458 /nfs/dbraw/zinc/64/44/58/822644458.db2.gz IFTZYEKSDKMIOK-CPJSRVTESA-N 1 1 387.527 4.182 20 0 GIADMO COC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000180234108 822645182 /nfs/dbraw/zinc/64/51/82/822645182.db2.gz RJIVPWHGNMCTGE-PXAZEXFGSA-N 1 1 381.419 4.029 20 0 GIADMO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455393656 822645752 /nfs/dbraw/zinc/64/57/52/822645752.db2.gz COHCFGOHCBUWDB-FPOVZHCZSA-N 1 1 391.506 4.120 20 0 GIADMO O=C(Nc1cccc(C[NH2+][C@H](CCO)c2ccco2)c1)c1ccc(Cl)cc1 ZINC000184506197 822646909 /nfs/dbraw/zinc/64/69/09/822646909.db2.gz WVVOXNGERKTUDE-LJQANCHMSA-N 1 1 384.863 4.399 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1sccc1Br ZINC000048227866 822647032 /nfs/dbraw/zinc/64/70/32/822647032.db2.gz ZGOVQPATHFLQSS-UHFFFAOYSA-N 1 1 381.339 4.281 20 0 GIADMO OCC[C@@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)c1ccco1 ZINC000184518004 822649531 /nfs/dbraw/zinc/64/95/31/822649531.db2.gz RAPINGIGMHYLOX-CYBMUJFWSA-N 1 1 378.188 4.274 20 0 GIADMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180258285 822649644 /nfs/dbraw/zinc/64/96/44/822649644.db2.gz XOPVFCJADWDAMM-CYBMUJFWSA-N 1 1 378.257 4.299 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000184519931 822649792 /nfs/dbraw/zinc/64/97/92/822649792.db2.gz SUVQELAEZKHNEJ-AWEZNQCLSA-N 1 1 394.500 4.058 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180259091 822649860 /nfs/dbraw/zinc/64/98/60/822649860.db2.gz IMLJZXOSQIQYNQ-HKUYNNGSSA-N 1 1 398.551 4.212 20 0 GIADMO CCC[C@H]1C[C@H](C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCO1 ZINC000180261766 822650264 /nfs/dbraw/zinc/65/02/64/822650264.db2.gz NQYQOXHBEDOBRH-NQIIRXRSSA-N 1 1 384.520 4.123 20 0 GIADMO CCC[C@H]1C[C@H](C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000180261766 822650266 /nfs/dbraw/zinc/65/02/66/822650266.db2.gz NQYQOXHBEDOBRH-NQIIRXRSSA-N 1 1 384.520 4.123 20 0 GIADMO CCOc1c(OC)cc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180286012 822655526 /nfs/dbraw/zinc/65/55/26/822655526.db2.gz QQKRJKXTQUJUGA-RXAIFQJESA-N 1 1 391.533 4.033 20 0 GIADMO CCOc1c(OC)cc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180286012 822655528 /nfs/dbraw/zinc/65/55/28/822655528.db2.gz QQKRJKXTQUJUGA-RXAIFQJESA-N 1 1 391.533 4.033 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000180291174 822656972 /nfs/dbraw/zinc/65/69/72/822656972.db2.gz NGCZBZUYNMZELG-GOSISDBHSA-N 1 1 382.508 4.017 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000180291174 822656973 /nfs/dbraw/zinc/65/69/73/822656973.db2.gz NGCZBZUYNMZELG-GOSISDBHSA-N 1 1 382.508 4.017 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000180291174 822656976 /nfs/dbraw/zinc/65/69/76/822656976.db2.gz NGCZBZUYNMZELG-GOSISDBHSA-N 1 1 382.508 4.017 20 0 GIADMO Cc1nc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(-c2ccccc2)o1 ZINC000184563740 822658044 /nfs/dbraw/zinc/65/80/44/822658044.db2.gz ZDOGRHXVNJDGHG-KRWDZBQOSA-N 1 1 395.528 4.354 20 0 GIADMO COc1cccc(COc2cccc(NC(=O)N(C)CC[N@@H+](C)C3CC3)c2C)c1 ZINC000184568824 822658806 /nfs/dbraw/zinc/65/88/06/822658806.db2.gz LGMHKPCPWCIFAK-UHFFFAOYSA-N 1 1 397.519 4.141 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2cc(Br)cs2)c2ccc(F)cc2)cn1 ZINC000184584093 822661290 /nfs/dbraw/zinc/66/12/90/822661290.db2.gz PQIWEPGJXXMJRF-INIZCTEOSA-N 1 1 380.286 4.262 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(F)cc1Br ZINC000048451448 822662952 /nfs/dbraw/zinc/66/29/52/822662952.db2.gz OBPHOMUEHXLCFW-CYBMUJFWSA-N 1 1 386.309 4.364 20 0 GIADMO C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000455482508 822663195 /nfs/dbraw/zinc/66/31/95/822663195.db2.gz WIGAHCZUCRIQFD-SJQSHANBSA-N 1 1 395.469 4.423 20 0 GIADMO CCCOc1c(Cl)cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)cc1OCC ZINC000180333085 822665034 /nfs/dbraw/zinc/66/50/34/822665034.db2.gz ZBFXWDHWDAMBEA-UHFFFAOYSA-N 1 1 396.959 4.218 20 0 GIADMO Cc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1-c1ccncc1 ZINC000455511315 822668610 /nfs/dbraw/zinc/66/86/10/822668610.db2.gz QEISLORUZDPCAK-KRWDZBQOSA-N 1 1 378.520 4.395 20 0 GIADMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)cc1 ZINC000048514334 822669293 /nfs/dbraw/zinc/66/92/93/822669293.db2.gz QSHOORLONVYJRC-UHFFFAOYSA-N 1 1 392.503 4.062 20 0 GIADMO CC(C)Oc1ccc(-c2ccc(NC(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c(F)c2)cc1 ZINC000455520052 822669947 /nfs/dbraw/zinc/66/99/47/822669947.db2.gz WBFUDXFOEJUXRB-PGRDOPGGSA-N 1 1 397.494 4.448 20 0 GIADMO COc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1C ZINC000455564850 822675368 /nfs/dbraw/zinc/67/53/68/822675368.db2.gz JFXVOJKFENQFPM-IEBWSBKVSA-N 1 1 397.519 4.044 20 0 GIADMO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ncc(Br)s1 ZINC000180415590 822677804 /nfs/dbraw/zinc/67/78/04/822677804.db2.gz OFVVPAIAEYXZNH-NSHDSACASA-N 1 1 377.311 4.157 20 0 GIADMO COc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc(OC)c1C ZINC000455583728 822678632 /nfs/dbraw/zinc/67/86/32/822678632.db2.gz ZWBBDSFGVOQJCL-AEFFLSMTSA-N 1 1 389.540 4.131 20 0 GIADMO COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c1OC ZINC000048752088 822681414 /nfs/dbraw/zinc/68/14/14/822681414.db2.gz NISNETXPBRXJLA-UHFFFAOYSA-N 1 1 387.430 4.074 20 0 GIADMO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C2CC2)n1 ZINC000455603053 822682559 /nfs/dbraw/zinc/68/25/59/822682559.db2.gz OTDNVIAJAAOUSI-SEJPIABJSA-N 1 1 375.516 4.193 20 0 GIADMO COc1ccc(OC)c(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000048781043 822682876 /nfs/dbraw/zinc/68/28/76/822682876.db2.gz PGXPIXJLCGDNRQ-UHFFFAOYSA-N 1 1 394.446 4.385 20 0 GIADMO Cc1nc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cs1 ZINC000048782678 822683104 /nfs/dbraw/zinc/68/31/04/822683104.db2.gz KYSSMLQBSBPTGF-UHFFFAOYSA-N 1 1 375.501 4.048 20 0 GIADMO CSCc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000184737693 822684204 /nfs/dbraw/zinc/68/42/04/822684204.db2.gz JBNVTKMTABHEMW-CQSZACIVSA-N 1 1 375.563 4.179 20 0 GIADMO CSCc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000184737693 822684207 /nfs/dbraw/zinc/68/42/07/822684207.db2.gz JBNVTKMTABHEMW-CQSZACIVSA-N 1 1 375.563 4.179 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C3CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000455621181 822685495 /nfs/dbraw/zinc/68/54/95/822685495.db2.gz QJUNFDMYNUXGNW-XLIONFOSSA-N 1 1 378.520 4.476 20 0 GIADMO COc1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)ccc1OCc1cccs1 ZINC000180457425 822685730 /nfs/dbraw/zinc/68/57/30/822685730.db2.gz LEYOQENZLJQPMP-FXAWDEMLSA-N 1 1 391.558 4.042 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)C2)C1 ZINC000455631878 822686987 /nfs/dbraw/zinc/68/69/87/822686987.db2.gz AICBDPZZVAPFMH-INIZCTEOSA-N 1 1 391.821 4.188 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[N@H+]1C ZINC000455633253 822687357 /nfs/dbraw/zinc/68/73/57/822687357.db2.gz CCUOPBCBHQUBPI-PWSUYJOCSA-N 1 1 379.810 4.185 20 0 GIADMO CCOCCOCc1cccc(NC(=O)Nc2cc(C)c3[nH+]ccn3c2)c1C ZINC000455639808 822688977 /nfs/dbraw/zinc/68/89/77/822688977.db2.gz ICYNUGGBCHMKCF-UHFFFAOYSA-N 1 1 382.464 4.148 20 0 GIADMO COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000180505861 822692849 /nfs/dbraw/zinc/69/28/49/822692849.db2.gz WHRJUOZOZMCGIZ-ZBFHGGJFSA-N 1 1 383.460 4.446 20 0 GIADMO Cc1cc(C)n2c(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)cnc2n1 ZINC000180509058 822693437 /nfs/dbraw/zinc/69/34/37/822693437.db2.gz YHERKUFQKDXLED-MJGOQNOKSA-N 1 1 384.549 4.276 20 0 GIADMO Cn1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c(-c2ccncc2)n1 ZINC000180509580 822693800 /nfs/dbraw/zinc/69/38/00/822693800.db2.gz ZRSQWXDKBHJFIO-UXHICEINSA-N 1 1 396.560 4.412 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1c[nH]nc1-c1cccnc1)c1cccs1 ZINC000180509388 822693804 /nfs/dbraw/zinc/69/38/04/822693804.db2.gz ZZIQQHZNIAHYJD-MOPGFXCFSA-N 1 1 382.533 4.402 20 0 GIADMO Brc1cccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)o2)c1 ZINC000180525234 822696241 /nfs/dbraw/zinc/69/62/41/822696241.db2.gz HADSTMMSRFHYGY-UHFFFAOYSA-N 1 1 392.293 4.091 20 0 GIADMO Brc1cccc(-c2ccc(C[N@H+]3CCOC4(CCOCC4)C3)o2)c1 ZINC000180525234 822696244 /nfs/dbraw/zinc/69/62/44/822696244.db2.gz HADSTMMSRFHYGY-UHFFFAOYSA-N 1 1 392.293 4.091 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000180549410 822700500 /nfs/dbraw/zinc/70/05/00/822700500.db2.gz MSAIVBBYUQWVKI-INIZCTEOSA-N 1 1 388.792 4.379 20 0 GIADMO C[C@@H]1[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@H+]1Cc1ccccc1 ZINC000455686313 822701208 /nfs/dbraw/zinc/70/12/08/822701208.db2.gz OCSNQHATUWSBIR-IUODEOHRSA-N 1 1 398.454 4.032 20 0 GIADMO COc1ccc(CC[NH2+][C@@H](c2nccn2C)c2ccccc2Cl)cc1OC ZINC000180559567 822702579 /nfs/dbraw/zinc/70/25/79/822702579.db2.gz GRGZFEUFMBMWPR-HXUWFJFHSA-N 1 1 385.895 4.012 20 0 GIADMO CC(C)(C)c1cc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)on1 ZINC000180569478 822704172 /nfs/dbraw/zinc/70/41/72/822704172.db2.gz FIDVUXLQPDQEGY-CYBMUJFWSA-N 1 1 387.377 4.333 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455696164 822704788 /nfs/dbraw/zinc/70/47/88/822704788.db2.gz OCGPCRRQNXUQGM-ZWKOTPCHSA-N 1 1 384.911 4.029 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc(Cl)cn1 ZINC000180581521 822705873 /nfs/dbraw/zinc/70/58/73/822705873.db2.gz FCIQQHGOQJZANB-CYBMUJFWSA-N 1 1 375.753 4.096 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000180609516 822711522 /nfs/dbraw/zinc/71/15/22/822711522.db2.gz IHLILWKUAXXDBD-WZONZLPQSA-N 1 1 377.536 4.136 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OCCF ZINC000455718007 822712449 /nfs/dbraw/zinc/71/24/49/822712449.db2.gz AZLTYOUHTBIIAA-FQEVSTJZSA-N 1 1 399.510 4.411 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(Cl)ccc1Cl ZINC000184921399 822713276 /nfs/dbraw/zinc/71/32/76/822713276.db2.gz PYNOSUFHMWTLHE-ZDUSSCGKSA-N 1 1 399.343 4.384 20 0 GIADMO CN1CCCc2cc(NC(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000050059743 822716668 /nfs/dbraw/zinc/71/66/68/822716668.db2.gz GZDANOLITOGGTG-KRWDZBQOSA-N 1 1 398.576 4.164 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C[N@H+]1Cc1ccccc1 ZINC000455735549 822716971 /nfs/dbraw/zinc/71/69/71/822716971.db2.gz YDABLLGOSWKNDC-OCCSQVGLSA-N 1 1 398.454 4.032 20 0 GIADMO Cc1sc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)nc1-c1ccc(Cl)cc1 ZINC000184953998 822717794 /nfs/dbraw/zinc/71/77/94/822717794.db2.gz ZDYNPFLDRNUKAK-SECBINFHSA-N 1 1 391.846 4.101 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)[C@@H](C)C1 ZINC000455744250 822718454 /nfs/dbraw/zinc/71/84/54/822718454.db2.gz DUSSYLHHZVIZEI-GXTWGEPZSA-N 1 1 386.309 4.091 20 0 GIADMO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184958719 822718574 /nfs/dbraw/zinc/71/85/74/822718574.db2.gz KTWYAKXLHSOSFB-RYUDHWBXSA-N 1 1 396.354 4.138 20 0 GIADMO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184961854 822718855 /nfs/dbraw/zinc/71/88/55/822718855.db2.gz IJAFISRSOXQBMK-RYUDHWBXSA-N 1 1 396.354 4.138 20 0 GIADMO Cc1ccc(CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C2CC2)o1 ZINC000050137775 822720023 /nfs/dbraw/zinc/72/00/23/822720023.db2.gz QTXQUIGFYKKESF-QGZVFWFLSA-N 1 1 387.549 4.236 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N(Cc1ccccc1)C1CC1 ZINC000050137049 822720041 /nfs/dbraw/zinc/72/00/41/822720041.db2.gz YZYOVRZCUGVZDZ-LJQANCHMSA-N 1 1 383.561 4.334 20 0 GIADMO CCCn1ncc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455760052 822721321 /nfs/dbraw/zinc/72/13/21/822721321.db2.gz VOODPPFEBKUPHL-FQEVSTJZSA-N 1 1 395.551 4.299 20 0 GIADMO CCCn1ncc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000455761786 822721590 /nfs/dbraw/zinc/72/15/90/822721590.db2.gz ZCEWTDFAOZGDJV-XLIONFOSSA-N 1 1 395.551 4.203 20 0 GIADMO CCCn1ncc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455761646 822721606 /nfs/dbraw/zinc/72/16/06/822721606.db2.gz YIYBFOOOCPSBCF-OAQYLSRUSA-N 1 1 395.551 4.203 20 0 GIADMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](Cc2cccs2)CC1 ZINC000050274295 822723325 /nfs/dbraw/zinc/72/33/25/822723325.db2.gz ISPYHYVCAZIJAP-AWEZNQCLSA-N 1 1 388.924 4.330 20 0 GIADMO CC(F)(F)c1ccccc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455775754 822724429 /nfs/dbraw/zinc/72/44/29/822724429.db2.gz RRDOBFDECKJQHH-HDICACEKSA-N 1 1 385.458 4.394 20 0 GIADMO CC(C)C(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000455808383 822730203 /nfs/dbraw/zinc/73/02/03/822730203.db2.gz AVNQCONYMKNHET-HXUWFJFHSA-N 1 1 393.531 4.211 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1nc(-c2cccc(F)c2)no1 ZINC000185080984 822734229 /nfs/dbraw/zinc/73/42/29/822734229.db2.gz XOJXKSVCHQPCQA-BDJLRTHQSA-N 1 1 395.356 4.279 20 0 GIADMO CCCn1ncc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C1CC1 ZINC000455836609 822734281 /nfs/dbraw/zinc/73/42/81/822734281.db2.gz USFPBBBDQNVPDK-VQIMIIECSA-N 1 1 381.524 4.128 20 0 GIADMO CCSCc1ccc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000455856845 822737974 /nfs/dbraw/zinc/73/79/74/822737974.db2.gz IVWUFXVTMCDGHT-QKLQHJQFSA-N 1 1 391.581 4.045 20 0 GIADMO CCSCc1ccc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000455856845 822737978 /nfs/dbraw/zinc/73/79/78/822737978.db2.gz IVWUFXVTMCDGHT-QKLQHJQFSA-N 1 1 391.581 4.045 20 0 GIADMO C[C@@H]([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccc(Cl)c2ccccc21 ZINC000185139973 822741846 /nfs/dbraw/zinc/74/18/46/822741846.db2.gz MUXIVAIIPPQQQK-OAHLLOKOSA-N 1 1 377.879 4.379 20 0 GIADMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000185140280 822741859 /nfs/dbraw/zinc/74/18/59/822741859.db2.gz JFSUBTAFIJYPCM-UZLBHIALSA-N 1 1 385.533 4.020 20 0 GIADMO C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131997 822747093 /nfs/dbraw/zinc/74/70/93/822747093.db2.gz GQBFXFKXNAYUIB-WIOPSUGQSA-N 1 1 392.543 4.277 20 0 GIADMO COc1ccc(-c2nnc(C[N@@H+](C)C[C@@H]3CCCO[C@@H]3c3ccccc3)o2)cc1 ZINC000051132797 822747168 /nfs/dbraw/zinc/74/71/68/822747168.db2.gz VHRUAPABCSFHTR-SIKLNZKXSA-N 1 1 393.487 4.345 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132631 822747231 /nfs/dbraw/zinc/74/72/31/822747231.db2.gz LPXGIDFRYXOPPL-XUZZJYLKSA-N 1 1 394.515 4.318 20 0 GIADMO Cc1c(O)ccc2c(C[N@@H+](C)C[C@@H]3CCCO[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000051133219 822747503 /nfs/dbraw/zinc/74/75/03/822747503.db2.gz IEVQQTJQNYJUOU-MHECFPHRSA-N 1 1 393.483 4.407 20 0 GIADMO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133512 822747714 /nfs/dbraw/zinc/74/77/14/822747714.db2.gz MAZLDZFKKXMHRV-RZFNWQHOSA-N 1 1 378.516 4.064 20 0 GIADMO C[C@@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000185196798 822748107 /nfs/dbraw/zinc/74/81/07/822748107.db2.gz ALVJZIRCRCKSHA-CVEARBPZSA-N 1 1 392.503 4.187 20 0 GIADMO COc1cc(C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C2CC2)ccc1OC(F)F ZINC000051262164 822752550 /nfs/dbraw/zinc/75/25/50/822752550.db2.gz WURZEAUBVNNPTN-KRWDZBQOSA-N 1 1 399.384 4.273 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(COC(C)(C)C)on3)cc2)C1 ZINC000185245939 822754257 /nfs/dbraw/zinc/75/42/57/822754257.db2.gz OHCRITGMSINFMH-INIZCTEOSA-N 1 1 385.508 4.474 20 0 GIADMO CC(C)CCc1ccc(NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc1 ZINC000455959679 822757498 /nfs/dbraw/zinc/75/74/98/822757498.db2.gz LRZVVFYGYAVBCF-NRFANRHFSA-N 1 1 395.551 4.051 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Br)c2)C2CC2)s1 ZINC000185290899 822760396 /nfs/dbraw/zinc/76/03/96/822760396.db2.gz HTQVLKARBOEMIL-XHDPSFHLSA-N 1 1 394.338 4.282 20 0 GIADMO COc1ccc(Br)cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185304561 822762416 /nfs/dbraw/zinc/76/24/16/822762416.db2.gz GEYBEPNLIJWVBH-UHFFFAOYSA-N 1 1 385.645 4.309 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185307565 822763048 /nfs/dbraw/zinc/76/30/48/822763048.db2.gz GEDSKTFPUBFMPT-BDJLRTHQSA-N 1 1 379.913 4.181 20 0 GIADMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C2CC2)n1 ZINC000455993973 822763324 /nfs/dbraw/zinc/76/33/24/822763324.db2.gz MFWHFULDPGLXAX-UNMCSNQZSA-N 1 1 399.485 4.499 20 0 GIADMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C2CC2)n1 ZINC000455993973 822763325 /nfs/dbraw/zinc/76/33/25/822763325.db2.gz MFWHFULDPGLXAX-UNMCSNQZSA-N 1 1 399.485 4.499 20 0 GIADMO Cc1cnc([C@H](NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000174293347 822764968 /nfs/dbraw/zinc/76/49/68/822764968.db2.gz WKGUJBXGEFOTIP-VQTJNVASSA-N 1 1 398.576 4.209 20 0 GIADMO C[C@H](CCOc1ccccc1)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000174294835 822765416 /nfs/dbraw/zinc/76/54/16/822765416.db2.gz HRPFSTDBSUDDDR-RTBURBONSA-N 1 1 382.504 4.124 20 0 GIADMO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000185352153 822769769 /nfs/dbraw/zinc/76/97/69/822769769.db2.gz JMJZMEYFKUACMW-AWEZNQCLSA-N 1 1 377.326 4.457 20 0 GIADMO CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])c1 ZINC000185352153 822769770 /nfs/dbraw/zinc/76/97/70/822769770.db2.gz JMJZMEYFKUACMW-AWEZNQCLSA-N 1 1 377.326 4.457 20 0 GIADMO Cc1ccc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c(C2CC2)n1 ZINC000456053558 822771719 /nfs/dbraw/zinc/77/17/19/822771719.db2.gz KMCZICYPVYJRKP-HXUWFJFHSA-N 1 1 375.472 4.121 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)C2CC2)s1 ZINC000185371209 822773526 /nfs/dbraw/zinc/77/35/26/822773526.db2.gz WQOSVMBNYWVBAX-HNNXBMFYSA-N 1 1 383.489 4.446 20 0 GIADMO COc1ccc(C2(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCCCC2)cc1 ZINC000174345607 822775723 /nfs/dbraw/zinc/77/57/23/822775723.db2.gz MJMLEISNTPHYHC-ICSRJNTNSA-N 1 1 387.568 4.021 20 0 GIADMO CCOCCOc1c(Cl)cccc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000174357806 822777337 /nfs/dbraw/zinc/77/73/37/822777337.db2.gz KVPZUIXCNNFVLP-UHFFFAOYSA-N 1 1 379.888 4.104 20 0 GIADMO CCCCCNC(=O)C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000051801173 822779007 /nfs/dbraw/zinc/77/90/07/822779007.db2.gz VQBSFOONSDLBLY-UHFFFAOYSA-N 1 1 386.565 4.405 20 0 GIADMO C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000456119897 822780097 /nfs/dbraw/zinc/78/00/97/822780097.db2.gz KUNSHHABJBXWEN-UMSGYPCISA-N 1 1 388.396 4.085 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](CC(=O)OC(C)C)C2)cc1)C(C)C ZINC000185410040 822780318 /nfs/dbraw/zinc/78/03/18/822780318.db2.gz LXRWPCMMEOSCMC-FQEVSTJZSA-N 1 1 388.552 4.111 20 0 GIADMO CC[N@H+](Cc1cn2cc(Cl)ccc2n1)CC1CCN(c2ccccn2)CC1 ZINC000174391401 822782730 /nfs/dbraw/zinc/78/27/30/822782730.db2.gz LKTFCTSFHIUGSO-UHFFFAOYSA-N 1 1 383.927 4.121 20 0 GIADMO CN(Cc1ncc(-c2ccc(F)cc2)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402404 822784910 /nfs/dbraw/zinc/78/49/10/822784910.db2.gz GFEXEDRBRZBWRF-LJQANCHMSA-N 1 1 379.479 4.435 20 0 GIADMO C[C@@H](CNC(=O)c1ccccc1Oc1cccnc1)[N@@H+]1CCc2sccc2C1 ZINC000051982603 822785502 /nfs/dbraw/zinc/78/55/02/822785502.db2.gz UPOHNOXCHVKLIP-INIZCTEOSA-N 1 1 393.512 4.112 20 0 GIADMO C[C@@H](CNC(=O)c1ccccc1Oc1cccnc1)[N@H+]1CCc2sccc2C1 ZINC000051982603 822785504 /nfs/dbraw/zinc/78/55/04/822785504.db2.gz UPOHNOXCHVKLIP-INIZCTEOSA-N 1 1 393.512 4.112 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000051983148 822785832 /nfs/dbraw/zinc/78/58/32/822785832.db2.gz BFPDVXWDKJFSSJ-QUCCMNQESA-N 1 1 387.483 4.439 20 0 GIADMO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174411419 822786488 /nfs/dbraw/zinc/78/64/88/822786488.db2.gz PWTLIYAWJDXQNL-GGPKGHCWSA-N 1 1 375.557 4.297 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185464997 822787532 /nfs/dbraw/zinc/78/75/32/822787532.db2.gz JVOSCMDRULNWLS-HNNXBMFYSA-N 1 1 392.421 4.016 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CC[C@H](C)[C@@H]3c3cccc(F)c3)CC2)[nH+]c1 ZINC000174419406 822787554 /nfs/dbraw/zinc/78/75/54/822787554.db2.gz CGVADUDMJWOZHC-HTAPYJJXSA-N 1 1 381.495 4.355 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185470864 822787909 /nfs/dbraw/zinc/78/79/09/822787909.db2.gz HWWKHDDAFZDUFH-GOSISDBHSA-N 1 1 385.577 4.497 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185470845 822787986 /nfs/dbraw/zinc/78/79/86/822787986.db2.gz HWWKHDDAFZDUFH-SFHVURJKSA-N 1 1 385.577 4.497 20 0 GIADMO COc1ccccc1-c1nc(C[NH+]2CCC(O)(c3ccccc3)CC2)cs1 ZINC000185473746 822788424 /nfs/dbraw/zinc/78/84/24/822788424.db2.gz RFGSQRNEGJDBLU-UHFFFAOYSA-N 1 1 380.513 4.302 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185480975 822789140 /nfs/dbraw/zinc/78/91/40/822789140.db2.gz DPOWPZMMXAJWBE-OAHLLOKOSA-N 1 1 392.421 4.016 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000174451871 822791619 /nfs/dbraw/zinc/79/16/19/822791619.db2.gz WMPZFLYESBALEZ-MAUKXSAKSA-N 1 1 377.941 4.284 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000052185944 822792729 /nfs/dbraw/zinc/79/27/29/822792729.db2.gz DTTBLIFRWYHTKU-UHFFFAOYSA-N 1 1 385.321 4.059 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN(C(=O)Nc4cccc(C[NH+](C)C)c4)C3)[nH]c2c1 ZINC000185521467 822793093 /nfs/dbraw/zinc/79/30/93/822793093.db2.gz MNKUFHVOYZNRKJ-GOSISDBHSA-N 1 1 391.519 4.344 20 0 GIADMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000052237884 822793839 /nfs/dbraw/zinc/79/38/39/822793839.db2.gz CKFAOYVJUMKBPL-UHFFFAOYSA-N 1 1 392.890 4.368 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000174473500 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4.395 20 0 GIADMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000185893372 822830706 /nfs/dbraw/zinc/83/07/06/822830706.db2.gz PUMYRESNTZTWOK-JTQLQIEISA-N 1 1 399.130 4.382 20 0 GIADMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000185893372 822830709 /nfs/dbraw/zinc/83/07/09/822830709.db2.gz PUMYRESNTZTWOK-JTQLQIEISA-N 1 1 399.130 4.382 20 0 GIADMO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000185920365 822833518 /nfs/dbraw/zinc/83/35/18/822833518.db2.gz KSMUCLROXRBEOF-ZYHUDNBSSA-N 1 1 394.846 4.296 20 0 GIADMO Cc1ccccc1NC(=O)CC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000174774625 822835355 /nfs/dbraw/zinc/83/53/55/822835355.db2.gz SSPICQIXTOPTCO-UHFFFAOYSA-N 1 1 376.504 4.278 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC[N@H+]1C ZINC000174780147 822835894 /nfs/dbraw/zinc/83/58/94/822835894.db2.gz DFNFFBWFMRPMGJ-UZLBHIALSA-N 1 1 395.507 4.277 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCC[N@@H+](C)Cc2ccccc2)s1 ZINC000174783633 822836649 /nfs/dbraw/zinc/83/66/49/822836649.db2.gz GFSDEMXYTUXDIK-KRWDZBQOSA-N 1 1 388.581 4.238 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-n3cccn3)cc2)[C@@H]1c1cccs1 ZINC000174790372 822837352 /nfs/dbraw/zinc/83/73/52/822837352.db2.gz LGEJNIDKFATDHQ-OXJNMPFZSA-N 1 1 395.532 4.138 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2Sc2ccccc2)CC[N@H+]1C ZINC000174793724 822837744 /nfs/dbraw/zinc/83/77/44/822837744.db2.gz UQYZWIXYANBYNS-IEBWSBKVSA-N 1 1 383.561 4.462 20 0 GIADMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(N2CCCCC2)cc1 ZINC000053516935 822838332 /nfs/dbraw/zinc/83/83/32/822838332.db2.gz SDNXUKDQYFAJNM-UHFFFAOYSA-N 1 1 379.464 4.093 20 0 GIADMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(N2CCCCC2)cc1 ZINC000053516935 822838335 /nfs/dbraw/zinc/83/83/35/822838335.db2.gz SDNXUKDQYFAJNM-UHFFFAOYSA-N 1 1 379.464 4.093 20 0 GIADMO CC[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1nc(C(F)(F)F)cs1 ZINC000185965365 822838498 /nfs/dbraw/zinc/83/84/98/822838498.db2.gz AQDANKAVPPZRGG-YPMHNXCESA-N 1 1 399.438 4.124 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cl)s2)[C@@H]1c1cccs1 ZINC000174800125 822838943 /nfs/dbraw/zinc/83/89/43/822838943.db2.gz IPMOIHUWUNHMKI-MLGOLLRUSA-N 1 1 383.970 4.345 20 0 GIADMO CC[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1nc(C(F)(F)F)cs1 ZINC000185976844 822840033 /nfs/dbraw/zinc/84/00/33/822840033.db2.gz MCPCHLNIFXUOSJ-QWHCGFSZSA-N 1 1 385.411 4.228 20 0 GIADMO Cc1nc2ccc(NC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2o1 ZINC000174809687 822840560 /nfs/dbraw/zinc/84/05/60/822840560.db2.gz OBYMKOCTYNXFQO-SFHVURJKSA-N 1 1 378.476 4.122 20 0 GIADMO C[C@H]1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000185983648 822840919 /nfs/dbraw/zinc/84/09/19/822840919.db2.gz QGGFTVAWJKDOFV-SFHVURJKSA-N 1 1 389.503 4.205 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2cc(COC(C)(C)C)on2)CC[N@H+]1Cc1ccccc1 ZINC000185987876 822841461 /nfs/dbraw/zinc/84/14/61/822841461.db2.gz UCMYZDZFEKZFBT-PKOBYXMFSA-N 1 1 399.535 4.115 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000053603626 822842323 /nfs/dbraw/zinc/84/23/23/822842323.db2.gz KWUVZFZRWFJSJN-FQEVSTJZSA-N 1 1 393.512 4.255 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000053603626 822842326 /nfs/dbraw/zinc/84/23/26/822842326.db2.gz KWUVZFZRWFJSJN-FQEVSTJZSA-N 1 1 393.512 4.255 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1 ZINC000174830088 822843085 /nfs/dbraw/zinc/84/30/85/822843085.db2.gz LWFYSVQGTPSRTB-CTNGQTDRSA-N 1 1 395.551 4.050 20 0 GIADMO Cc1noc(C2CC[NH+](Cc3cc(Cl)ccc3OCc3cccnc3)CC2)n1 ZINC000053639237 822843525 /nfs/dbraw/zinc/84/35/25/822843525.db2.gz GPMMIWDYCMOOMZ-UHFFFAOYSA-N 1 1 398.894 4.385 20 0 GIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c2ccco2)cc1 ZINC000456990342 822844948 /nfs/dbraw/zinc/84/49/48/822844948.db2.gz FMCSFCSAORQJSK-GCJKJVERSA-N 1 1 382.504 4.148 20 0 GIADMO O=C(CCC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)c1cc(Cl)sc1Cl ZINC000457020872 822846656 /nfs/dbraw/zinc/84/66/56/822846656.db2.gz MCGGREKUEOSFMC-CQSZACIVSA-N 1 1 397.327 4.191 20 0 GIADMO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000053744435 822846962 /nfs/dbraw/zinc/84/69/62/822846962.db2.gz IJOPDATXHGFOQF-KRWDZBQOSA-N 1 1 386.503 4.393 20 0 GIADMO C[C@H](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(=O)c1cccc(F)c1 ZINC000174856041 822847135 /nfs/dbraw/zinc/84/71/35/822847135.db2.gz QCPRERYTTACRQE-QRVBRYPASA-N 1 1 388.527 4.148 20 0 GIADMO CC[C@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)c1nc(C(F)(F)F)cs1 ZINC000174856399 822847148 /nfs/dbraw/zinc/84/71/48/822847148.db2.gz ROEBNLADVDDCSY-ZFWWWQNUSA-N 1 1 385.455 4.422 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(Cl)c2F)[C@@H]1c1cccs1 ZINC000186048688 822847205 /nfs/dbraw/zinc/84/72/05/822847205.db2.gz VYUDSEPKZDRNGQ-APPDUMDISA-N 1 1 384.879 4.493 20 0 GIADMO COc1ccc(N2CCC[N@@H+](Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)cc1 ZINC000053772512 822847543 /nfs/dbraw/zinc/84/75/43/822847543.db2.gz CTSJDVXIUXIZRX-UHFFFAOYSA-N 1 1 392.499 4.131 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+]3CC=C(c4ccc(C)cc4)CC3)cc(=O)oc2c1 ZINC000053813219 822849069 /nfs/dbraw/zinc/84/90/69/822849069.db2.gz DKPZLYQFGUOFMJ-UHFFFAOYSA-N 1 1 388.467 4.349 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000457082681 822851153 /nfs/dbraw/zinc/85/11/53/822851153.db2.gz ISKIGKMFTYPODW-MRXNPFEDSA-N 1 1 382.932 4.082 20 0 GIADMO C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174894315 822851881 /nfs/dbraw/zinc/85/18/81/822851881.db2.gz AAEZOVUMLIONPC-ONTIZHBOSA-N 1 1 379.548 4.342 20 0 GIADMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(OC)CC2)cc1Cl ZINC000053897284 822852251 /nfs/dbraw/zinc/85/22/51/822852251.db2.gz UZSNUQCDVQGSSN-HXUWFJFHSA-N 1 1 388.895 4.139 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2N2CCc3ccccc32)CC[N@H+]1C ZINC000174914106 822854987 /nfs/dbraw/zinc/85/49/87/822854987.db2.gz MDPANQKIIXNUFP-MJGOQNOKSA-N 1 1 378.520 4.327 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(COC(C)(C)C)on2)CC1 ZINC000186140712 822855191 /nfs/dbraw/zinc/85/51/91/822855191.db2.gz GNNUMNTZDUXXIV-QGZVFWFLSA-N 1 1 391.556 4.106 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1)C(C)C ZINC000186149222 822855830 /nfs/dbraw/zinc/85/58/30/822855830.db2.gz ALFCZLTVJFFUDR-UHFFFAOYSA-N 1 1 382.430 4.230 20 0 GIADMO CCc1cccc2c(CC(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH]c21 ZINC000174935807 822858059 /nfs/dbraw/zinc/85/80/59/822858059.db2.gz AWJYCTZOMOFWJO-HXUWFJFHSA-N 1 1 389.543 4.253 20 0 GIADMO C[C@@H](CC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(F)c(Br)c1 ZINC000457161202 822858149 /nfs/dbraw/zinc/85/81/49/822858149.db2.gz DBRWXPKYJFFGCV-ZDUSSCGKSA-N 1 1 385.321 4.072 20 0 GIADMO Cc1cc(C)c(C[C@H](C(=O)NCCCC[N@H+](C)C2CC2)C(F)(F)F)c(C)c1 ZINC000457164390 822858331 /nfs/dbraw/zinc/85/83/31/822858331.db2.gz IZIVXOHRABUQQE-LJQANCHMSA-N 1 1 384.486 4.323 20 0 GIADMO Cc1cc(C(=O)NCCCC[N@H+](C)C2CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000457165079 822858395 /nfs/dbraw/zinc/85/83/95/822858395.db2.gz JYEUECIMQABODP-UHFFFAOYSA-N 1 1 395.334 4.092 20 0 GIADMO CC(C)c1noc(CCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1 ZINC000054011900 822858837 /nfs/dbraw/zinc/85/88/37/822858837.db2.gz MCIMRUQPGZHMBI-UHFFFAOYSA-N 1 1 381.480 4.133 20 0 GIADMO C[N@@H+](CCCCNC(=O)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1)C1CC1 ZINC000457197647 822860314 /nfs/dbraw/zinc/86/03/14/822860314.db2.gz IOBPLKDGUWFVOY-NRFANRHFSA-N 1 1 388.458 4.076 20 0 GIADMO C[N@@H+](CCCCNC(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1)C1CC1 ZINC000457197648 822860325 /nfs/dbraw/zinc/86/03/25/822860325.db2.gz IOBPLKDGUWFVOY-OAQYLSRUSA-N 1 1 388.458 4.076 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457213388 822861043 /nfs/dbraw/zinc/86/10/43/822861043.db2.gz YVDQIFFMOSITDU-UHFFFAOYSA-N 1 1 379.863 4.047 20 0 GIADMO Cc1ccc2nc(C)c(C(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000174959004 822861453 /nfs/dbraw/zinc/86/14/53/822861453.db2.gz GWRIAVODVBVGFW-NRFANRHFSA-N 1 1 387.527 4.446 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186250272 822864881 /nfs/dbraw/zinc/86/48/81/822864881.db2.gz ZIWNYOJGYFFUDJ-UHFFFAOYSA-N 1 1 398.503 4.191 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186250272 822864884 /nfs/dbraw/zinc/86/48/84/822864884.db2.gz ZIWNYOJGYFFUDJ-UHFFFAOYSA-N 1 1 398.503 4.191 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1c(F)cccc1OC ZINC000186263449 822866865 /nfs/dbraw/zinc/86/68/65/822866865.db2.gz PKBTZFSLTJVRDQ-SFHVURJKSA-N 1 1 385.483 4.210 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000175012686 822867302 /nfs/dbraw/zinc/86/73/02/822867302.db2.gz YEMQSAGIKDWARE-UHFFFAOYSA-N 1 1 394.338 4.212 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(Cl)c1 ZINC000568998533 822868480 /nfs/dbraw/zinc/86/84/80/822868480.db2.gz XATYUCPSZCTKTM-DOTOQJQBSA-N 1 1 388.943 4.143 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(Cl)c1 ZINC000568998533 822868483 /nfs/dbraw/zinc/86/84/83/822868483.db2.gz XATYUCPSZCTKTM-DOTOQJQBSA-N 1 1 388.943 4.143 20 0 GIADMO COc1cccc(F)c1NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000186275573 822868690 /nfs/dbraw/zinc/86/86/90/822868690.db2.gz WGTBBNRNAXRPBT-UHFFFAOYSA-N 1 1 385.483 4.210 20 0 GIADMO COc1ccc2[nH+]cc(C(=O)[O-])c(N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)c2c1 ZINC000569007925 822869265 /nfs/dbraw/zinc/86/92/65/822869265.db2.gz PFUTUBHSBBOKOO-IRXDYDNUSA-N 1 1 397.519 4.032 20 0 GIADMO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457379781 822871517 /nfs/dbraw/zinc/87/15/17/822871517.db2.gz ULIQYCWUACENOC-DYVFJYSZSA-N 1 1 376.932 4.437 20 0 GIADMO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457379784 822871670 /nfs/dbraw/zinc/87/16/70/822871670.db2.gz ULIQYCWUACENOC-SUMWQHHRSA-N 1 1 376.932 4.437 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C ZINC000569037463 822871939 /nfs/dbraw/zinc/87/19/39/822871939.db2.gz OIXWFKWBPMFFOX-OAHLLOKOSA-N 1 1 385.512 4.164 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CC3CCC3)CC(F)(F)F)cc2)C[C@H](C)O1 ZINC000175047041 822873173 /nfs/dbraw/zinc/87/31/73/822873173.db2.gz WUZJWDRWDDCFBY-IYBDPMFKSA-N 1 1 398.469 4.100 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CC3CCC3)CC(F)(F)F)cc2)C[C@H](C)O1 ZINC000175047041 822873178 /nfs/dbraw/zinc/87/31/78/822873178.db2.gz WUZJWDRWDDCFBY-IYBDPMFKSA-N 1 1 398.469 4.100 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(CC3CCC3)CC(F)(F)F)cc2)C[C@H](C)O1 ZINC000175047057 822873224 /nfs/dbraw/zinc/87/32/24/822873224.db2.gz WUZJWDRWDDCFBY-HOTGVXAUSA-N 1 1 398.469 4.100 20 0 GIADMO Cc1cc(CNC(=O)c2ccc(Cl)c3cccnc23)cc(N2CCCC2)[nH+]1 ZINC000569058862 822875063 /nfs/dbraw/zinc/87/50/63/822875063.db2.gz YMZALUIZUDWYPM-UHFFFAOYSA-N 1 1 380.879 4.122 20 0 GIADMO CCC[N@@H+](CCCc1cnn(C)c1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000054316549 822875860 /nfs/dbraw/zinc/87/58/60/822875860.db2.gz MFWXNKZRRLBSRM-UHFFFAOYSA-N 1 1 383.323 4.010 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000054323885 822876423 /nfs/dbraw/zinc/87/64/23/822876423.db2.gz SUPSWAMZXMUJMV-UHFFFAOYSA-N 1 1 390.858 4.017 20 0 GIADMO CCN(C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H](C)c1cccnc1 ZINC000186328993 822876834 /nfs/dbraw/zinc/87/68/34/822876834.db2.gz NUBAEJDNEMFUSW-GCJKJVERSA-N 1 1 380.536 4.085 20 0 GIADMO Cc1nc2ccccc2nc1C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339371 822876972 /nfs/dbraw/zinc/87/69/72/822876972.db2.gz YEGIRLQEGSZCND-PMACEKPBSA-N 1 1 388.298 4.335 20 0 GIADMO Cc1nc2ccccc2nc1C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339371 822876975 /nfs/dbraw/zinc/87/69/75/822876975.db2.gz YEGIRLQEGSZCND-PMACEKPBSA-N 1 1 388.298 4.335 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)s1 ZINC000457472782 822878492 /nfs/dbraw/zinc/87/84/92/822878492.db2.gz REJQCWBUTLINBS-DZGCQCFKSA-N 1 1 393.350 4.384 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1Cl ZINC000457492055 822881439 /nfs/dbraw/zinc/88/14/39/822881439.db2.gz WABJLBQOGUIKBE-RTBURBONSA-N 1 1 386.927 4.130 20 0 GIADMO CCN(C(=O)c1cc(Br)co1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000457492797 822881446 /nfs/dbraw/zinc/88/14/46/822881446.db2.gz PPECIZCRAQGJGI-YOEHRIQHSA-N 1 1 391.309 4.340 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000054395835 822881735 /nfs/dbraw/zinc/88/17/35/822881735.db2.gz QQWHOWRLVPGFJP-HSZRJFAPSA-N 1 1 399.494 4.002 20 0 GIADMO CC[C@H](NC(=O)NCC[N@H+]1CCCC[C@H]1CC)c1nc(C(F)(F)F)cs1 ZINC000175100691 822882184 /nfs/dbraw/zinc/88/21/84/822882184.db2.gz LGCDQLSZBUYZKK-OLZOCXBDSA-N 1 1 392.491 4.177 20 0 GIADMO CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000175100359 822882245 /nfs/dbraw/zinc/88/22/45/822882245.db2.gz UIGDWNJJTWUJAQ-OAQYLSRUSA-N 1 1 399.560 4.083 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000054412226 822883297 /nfs/dbraw/zinc/88/32/97/822883297.db2.gz GLVKKMMAXXJHAA-MRXNPFEDSA-N 1 1 388.556 4.222 20 0 GIADMO O=C1C[C@@H](c2ccccc2)N1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000054428446 822884392 /nfs/dbraw/zinc/88/43/92/822884392.db2.gz SSMJJJKCTNJCIR-HKUYNNGSSA-N 1 1 377.513 4.407 20 0 GIADMO O=C1C[C@@H](c2ccccc2)N1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000054428446 822884395 /nfs/dbraw/zinc/88/43/95/822884395.db2.gz SSMJJJKCTNJCIR-HKUYNNGSSA-N 1 1 377.513 4.407 20 0 GIADMO CC[NH+]1CCC(CN[C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000569155792 822885317 /nfs/dbraw/zinc/88/53/17/822885317.db2.gz NKBGSTCHDXBPOX-IBGZPJMESA-N 1 1 377.326 4.453 20 0 GIADMO Cc1nc([C@H]2CCCN2C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000186384702 822885964 /nfs/dbraw/zinc/88/59/64/822885964.db2.gz KAERVHKQEKAVDV-RVKKMQEKSA-N 1 1 378.586 4.055 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)cs1 ZINC000175121674 822886397 /nfs/dbraw/zinc/88/63/97/822886397.db2.gz HHMVSRMCKSBCHN-UHFFFAOYSA-N 1 1 396.516 4.321 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000175123043 822886929 /nfs/dbraw/zinc/88/69/29/822886929.db2.gz FOWYQIJLJDIRJL-MRXNPFEDSA-N 1 1 377.315 4.288 20 0 GIADMO CCCCOc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000054469546 822887873 /nfs/dbraw/zinc/88/78/73/822887873.db2.gz QLMKEHGPLGNMDR-UHFFFAOYSA-N 1 1 379.464 4.076 20 0 GIADMO Cc1cc(O[C@H](C)c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)ccc1Cl ZINC000569171939 822888120 /nfs/dbraw/zinc/88/81/20/822888120.db2.gz PISKKVLEPKVMBZ-ACWOFJMJSA-N 1 1 377.872 4.097 20 0 GIADMO Cc1cc(O[C@H](C)c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)ccc1Cl ZINC000569171939 822888123 /nfs/dbraw/zinc/88/81/23/822888123.db2.gz PISKKVLEPKVMBZ-ACWOFJMJSA-N 1 1 377.872 4.097 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCCSC1 ZINC000569175810 822888969 /nfs/dbraw/zinc/88/89/69/822888969.db2.gz WLXXCOWAFCMGNJ-CQSZACIVSA-N 1 1 387.376 4.217 20 0 GIADMO Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000186416724 822891065 /nfs/dbraw/zinc/89/10/65/822891065.db2.gz RSBZJHOAZZHIHO-ZFWWWQNUSA-N 1 1 383.521 4.110 20 0 GIADMO CCn1c(=S)n(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)nc1-c1cccs1 ZINC000054519360 822892772 /nfs/dbraw/zinc/89/27/72/822892772.db2.gz JXNXOVPIIFVYFB-QGZVFWFLSA-N 1 1 399.589 4.109 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[C@H](C)C1 ZINC000457583433 822894365 /nfs/dbraw/zinc/89/43/65/822894365.db2.gz AECNJQZXIJJJAJ-FOIQADDNSA-N 1 1 387.911 4.330 20 0 GIADMO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000175158812 822894404 /nfs/dbraw/zinc/89/44/04/822894404.db2.gz PQALBIKYAKDUPY-CQSZACIVSA-N 1 1 381.480 4.358 20 0 GIADMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000175158791 822894464 /nfs/dbraw/zinc/89/44/64/822894464.db2.gz PQALBIKYAKDUPY-AWEZNQCLSA-N 1 1 381.480 4.358 20 0 GIADMO CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(OC3CCCC3)CC1)n2CC ZINC000569268814 822898609 /nfs/dbraw/zinc/89/86/09/822898609.db2.gz PCMICGJUFIMFIB-UHFFFAOYSA-N 1 1 399.535 4.157 20 0 GIADMO CCc1ccc([C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2C)C(C)C)cc1 ZINC000054607484 822898677 /nfs/dbraw/zinc/89/86/77/822898677.db2.gz ZLVKYFZSONCYRF-NRFANRHFSA-N 1 1 391.519 4.335 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)COCc2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000457629419 822898691 /nfs/dbraw/zinc/89/86/91/822898691.db2.gz KWNNWJDUZBTZLF-UTKZUKDTSA-N 1 1 386.923 4.026 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000054608914 822898816 /nfs/dbraw/zinc/89/88/16/822898816.db2.gz KRFPETOIKBJPMV-UHFFFAOYSA-N 1 1 395.894 4.103 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000054607585 822898819 /nfs/dbraw/zinc/89/88/19/822898819.db2.gz NNKLHAQIBOHATC-INIZCTEOSA-N 1 1 389.503 4.015 20 0 GIADMO NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000054620149 822899480 /nfs/dbraw/zinc/89/94/80/822899480.db2.gz XNHXLPAUHXIBMS-GOSISDBHSA-N 1 1 385.920 4.356 20 0 GIADMO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000569274860 822899817 /nfs/dbraw/zinc/89/98/17/822899817.db2.gz PXBKVNHUFHUEBV-QGZVFWFLSA-N 1 1 378.419 4.318 20 0 GIADMO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000569274860 822899820 /nfs/dbraw/zinc/89/98/20/822899820.db2.gz PXBKVNHUFHUEBV-QGZVFWFLSA-N 1 1 378.419 4.318 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000054625013 822900085 /nfs/dbraw/zinc/90/00/85/822900085.db2.gz ATIRYXMMRBTNDX-GOSISDBHSA-N 1 1 399.498 4.110 20 0 GIADMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000569276022 822900093 /nfs/dbraw/zinc/90/00/93/822900093.db2.gz JOIYIPRUFRSUBG-KSSFIOAISA-N 1 1 385.451 4.309 20 0 GIADMO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@H+]5CCC[C@]5(C)CO4)no3)cs2)c(C)c1 ZINC000569290565 822902243 /nfs/dbraw/zinc/90/22/43/822902243.db2.gz ZKPRBSPAZSRRLY-DYESRHJHSA-N 1 1 396.516 4.403 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457661601 822902977 /nfs/dbraw/zinc/90/29/77/822902977.db2.gz IHQSKPOBCDAHNU-ROUUACIJSA-N 1 1 390.478 4.258 20 0 GIADMO FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)cc2)n1 ZINC000569296627 822903510 /nfs/dbraw/zinc/90/35/10/822903510.db2.gz CXSMAANBUIKTHS-MRXNPFEDSA-N 1 1 395.816 4.188 20 0 GIADMO CCN(C(=O)NCC[N@@H+]1CCc2sccc2C1)[C@H](C)c1ccc(F)cc1 ZINC000054686428 822906332 /nfs/dbraw/zinc/90/63/32/822906332.db2.gz AVPNTSIPAHGCFY-OAHLLOKOSA-N 1 1 375.513 4.038 20 0 GIADMO CCN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@H](C)c1ccc(F)cc1 ZINC000054686428 822906336 /nfs/dbraw/zinc/90/63/36/822906336.db2.gz AVPNTSIPAHGCFY-OAHLLOKOSA-N 1 1 375.513 4.038 20 0 GIADMO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000457688405 822906848 /nfs/dbraw/zinc/90/68/48/822906848.db2.gz VHKWOWXEOLWXRP-KSFYIVLOSA-N 1 1 395.478 4.102 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@]2(C)CCCC[C@H]2O)c1 ZINC000175218301 822907213 /nfs/dbraw/zinc/90/72/13/822907213.db2.gz ULZOXJAWLCKMEJ-KNQAVFIVSA-N 1 1 384.524 4.118 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000054718027 822907328 /nfs/dbraw/zinc/90/73/28/822907328.db2.gz RFCJBEFQRILKEZ-WMZOPIPTSA-N 1 1 394.544 4.273 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186518060 822907373 /nfs/dbraw/zinc/90/73/73/822907373.db2.gz GHXNIPUIXJFTMR-QLFBSQMISA-N 1 1 381.358 4.458 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186518060 822907380 /nfs/dbraw/zinc/90/73/80/822907380.db2.gz GHXNIPUIXJFTMR-QLFBSQMISA-N 1 1 381.358 4.458 20 0 GIADMO CC(C)Oc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000457691671 822907508 /nfs/dbraw/zinc/90/75/08/822907508.db2.gz ZDFHBBRJMOERSE-QRWLVFNGSA-N 1 1 376.928 4.216 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457692315 822907571 /nfs/dbraw/zinc/90/75/71/822907571.db2.gz ZNQCFLFENPSOTK-ROUUACIJSA-N 1 1 390.478 4.258 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 ZINC000569353275 822910598 /nfs/dbraw/zinc/91/05/98/822910598.db2.gz OEWJGRIRFMJXEA-HNNXBMFYSA-N 1 1 383.458 4.217 20 0 GIADMO C[N@@H+](CCNC(=O)N(Cc1ccco1)Cc1cccs1)Cc1ccccc1 ZINC000054763567 822911050 /nfs/dbraw/zinc/91/10/50/822911050.db2.gz WSGIGRKDRZDHFU-UHFFFAOYSA-N 1 1 383.517 4.185 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000186555092 822912558 /nfs/dbraw/zinc/91/25/58/822912558.db2.gz CEDCNCGRRRGKKJ-UHFFFAOYSA-N 1 1 390.409 4.056 20 0 GIADMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccccc1CC(F)(F)F ZINC000175243605 822912536 /nfs/dbraw/zinc/91/25/36/822912536.db2.gz FMONQLNJOCFFGL-SFHVURJKSA-N 1 1 392.421 4.021 20 0 GIADMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccccc1CC(F)(F)F ZINC000175243605 822912539 /nfs/dbraw/zinc/91/25/39/822912539.db2.gz FMONQLNJOCFFGL-SFHVURJKSA-N 1 1 392.421 4.021 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000457743037 822913492 /nfs/dbraw/zinc/91/34/92/822913492.db2.gz QSOZXJTYFDSPFI-MRXNPFEDSA-N 1 1 397.485 4.469 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000457746966 822913978 /nfs/dbraw/zinc/91/39/78/822913978.db2.gz UCOYBRBUVVCCSS-SFHVURJKSA-N 1 1 385.939 4.458 20 0 GIADMO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c(-c2cnn(C)c2)c1 ZINC000569384770 822914457 /nfs/dbraw/zinc/91/44/57/822914457.db2.gz OFMDIZKEPVUSPN-QHCPKHFHSA-N 1 1 379.479 4.417 20 0 GIADMO Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)c(-c2cnn(C)c2)c1 ZINC000569384770 822914459 /nfs/dbraw/zinc/91/44/59/822914459.db2.gz OFMDIZKEPVUSPN-QHCPKHFHSA-N 1 1 379.479 4.417 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3cccc(OCC(C)C)c3)CC2)[nH+]c1 ZINC000175252530 822914735 /nfs/dbraw/zinc/91/47/35/822914735.db2.gz BDFSLDZZBRUWHX-UHFFFAOYSA-N 1 1 382.508 4.215 20 0 GIADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(O)ccc1Cl ZINC000569394574 822915947 /nfs/dbraw/zinc/91/59/47/822915947.db2.gz DCSCAXXEJLFURN-GOSISDBHSA-N 1 1 379.287 4.266 20 0 GIADMO COc1ccc(CCC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1F ZINC000054828175 822916020 /nfs/dbraw/zinc/91/60/20/822916020.db2.gz BXZHNJMCHLPYMJ-UHFFFAOYSA-N 1 1 391.512 4.238 20 0 GIADMO CC(=O)c1oc2cc(C)ccc2c1CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000569395289 822916203 /nfs/dbraw/zinc/91/62/03/822916203.db2.gz OPOQGHZDAODRSE-KRWDZBQOSA-N 1 1 392.499 4.123 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c3ncc(C)s3)ccc2c1 ZINC000175262192 822918217 /nfs/dbraw/zinc/91/82/17/822918217.db2.gz GLBSGJBUAOSJMR-JKSUJKDBSA-N 1 1 397.544 4.311 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c3ncc(C)s3)ccc2c1 ZINC000175262155 822918325 /nfs/dbraw/zinc/91/83/25/822918325.db2.gz GLBSGJBUAOSJMR-HOTGVXAUSA-N 1 1 397.544 4.311 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000186590035 822918654 /nfs/dbraw/zinc/91/86/54/822918654.db2.gz HWDRULQTFGKYLC-QWHCGFSZSA-N 1 1 378.775 4.323 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)NCC[N@H+](C)Cc3ccc(F)cc3)c2)oc1C ZINC000175266145 822919223 /nfs/dbraw/zinc/91/92/23/822919223.db2.gz QEZSMFKJTAUNSZ-UHFFFAOYSA-N 1 1 396.466 4.351 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2ccoc2)n1 ZINC000175267946 822919781 /nfs/dbraw/zinc/91/97/81/822919781.db2.gz ZWQUPEUHPVWSBR-GOSISDBHSA-N 1 1 395.528 4.387 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000175271528 822920959 /nfs/dbraw/zinc/92/09/59/822920959.db2.gz UQDQRTORJIDZMR-VXKWHMMOSA-N 1 1 392.543 4.313 20 0 GIADMO CC(C)(C)C1CC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000457808177 822921386 /nfs/dbraw/zinc/92/13/86/822921386.db2.gz CPVRMAAIIMOPDH-HRTMPFAESA-N 1 1 398.591 4.104 20 0 GIADMO CC(C)c1ccc(OC2CCN(C(=O)NCCCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000569430833 822921859 /nfs/dbraw/zinc/92/18/59/822921859.db2.gz WUEHDMARLJNWHH-UHFFFAOYSA-N 1 1 387.568 4.237 20 0 GIADMO CCCn1ccc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)cc21 ZINC000175276352 822922174 /nfs/dbraw/zinc/92/21/74/822922174.db2.gz PGVIKTOHYZNHPS-HSZRJFAPSA-N 1 1 391.515 4.188 20 0 GIADMO Cc1ccccc1Oc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)nc1 ZINC000457819468 822922586 /nfs/dbraw/zinc/92/25/86/822922586.db2.gz SRBMCBDTFNVASV-KRWDZBQOSA-N 1 1 379.504 4.129 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CCCCC[C@@H]3c3ccco3)CC2)[nH+]c1 ZINC000175278854 822922676 /nfs/dbraw/zinc/92/26/76/822922676.db2.gz QZZBAKMYBIJWEU-LJQANCHMSA-N 1 1 382.508 4.279 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1coc(-c2ccccc2)n1 ZINC000175279353 822922701 /nfs/dbraw/zinc/92/27/01/822922701.db2.gz XZEYKMMNJUDVOB-HXUWFJFHSA-N 1 1 389.499 4.326 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CCCCC[C@H]3c3ccncc3)CC2)[nH+]c1 ZINC000175282279 822923635 /nfs/dbraw/zinc/92/36/35/822923635.db2.gz FYJJRIIAIXRPHD-NRFANRHFSA-N 1 1 393.535 4.081 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1OC(F)F ZINC000175284914 822924385 /nfs/dbraw/zinc/92/43/85/822924385.db2.gz WBEHUGOSYPIXSW-MRXNPFEDSA-N 1 1 394.487 4.334 20 0 GIADMO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccccc1 ZINC000186623200 822925177 /nfs/dbraw/zinc/92/51/77/822925177.db2.gz YNLHDPKHMZYDRY-JKFKMHIGSA-N 1 1 378.516 4.164 20 0 GIADMO CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccccc1 ZINC000186623200 822925179 /nfs/dbraw/zinc/92/51/79/822925179.db2.gz YNLHDPKHMZYDRY-JKFKMHIGSA-N 1 1 378.516 4.164 20 0 GIADMO O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569471240 822927018 /nfs/dbraw/zinc/92/70/18/822927018.db2.gz FHVKCSPMBPMJQZ-MJGOQNOKSA-N 1 1 394.412 4.458 20 0 GIADMO CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175294434 822927125 /nfs/dbraw/zinc/92/71/25/822927125.db2.gz NVIJAMHGEYQJKF-ZWKOTPCHSA-N 1 1 379.595 4.031 20 0 GIADMO CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000569476785 822927637 /nfs/dbraw/zinc/92/76/37/822927637.db2.gz RHNGDUFDAPTTTF-MJGOQNOKSA-N 1 1 387.597 4.041 20 0 GIADMO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569496155 822929982 /nfs/dbraw/zinc/92/99/82/822929982.db2.gz NZTUKGWUGHOCHD-VFNWGFHPSA-N 1 1 382.891 4.154 20 0 GIADMO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569496155 822929983 /nfs/dbraw/zinc/92/99/83/822929983.db2.gz NZTUKGWUGHOCHD-VFNWGFHPSA-N 1 1 382.891 4.154 20 0 GIADMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000569501238 822930494 /nfs/dbraw/zinc/93/04/94/822930494.db2.gz NCNSRBJFYNZKFE-KBXCAEBGSA-N 1 1 399.926 4.234 20 0 GIADMO CC(C)OCCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000186662649 822931981 /nfs/dbraw/zinc/93/19/81/822931981.db2.gz ZPMDNJSGYMUICJ-HNNXBMFYSA-N 1 1 384.923 4.183 20 0 GIADMO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000457906179 822932204 /nfs/dbraw/zinc/93/22/04/822932204.db2.gz AHCBGAHBRDRDHW-UHFFFAOYSA-N 1 1 394.563 4.496 20 0 GIADMO C[C@@H](CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000569511498 822932314 /nfs/dbraw/zinc/93/23/14/822932314.db2.gz HYMRUIWWIJIOGE-CABCVRRESA-N 1 1 383.458 4.114 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186668468 822933556 /nfs/dbraw/zinc/93/35/56/822933556.db2.gz DBBHPVFTCIFUJA-HSZRJFAPSA-N 1 1 375.472 4.491 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186668468 822933558 /nfs/dbraw/zinc/93/35/58/822933558.db2.gz DBBHPVFTCIFUJA-HSZRJFAPSA-N 1 1 375.472 4.491 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186668490 822933624 /nfs/dbraw/zinc/93/36/24/822933624.db2.gz DBBHPVFTCIFUJA-QHCPKHFHSA-N 1 1 375.472 4.491 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186668490 822933627 /nfs/dbraw/zinc/93/36/27/822933627.db2.gz DBBHPVFTCIFUJA-QHCPKHFHSA-N 1 1 375.472 4.491 20 0 GIADMO CCCCc1nc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cs1 ZINC000175319033 822933633 /nfs/dbraw/zinc/93/36/33/822933633.db2.gz VBXBCZSWVSQSGO-UHFFFAOYSA-N 1 1 385.577 4.323 20 0 GIADMO COc1cc(-c2nc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)ccc1O ZINC000186673456 822934710 /nfs/dbraw/zinc/93/47/10/822934710.db2.gz UGPYRPDKMPNNRT-QFIPXVFZSA-N 1 1 394.496 4.156 20 0 GIADMO COc1cc(-c2nc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)ccc1O ZINC000186673456 822934714 /nfs/dbraw/zinc/93/47/14/822934714.db2.gz UGPYRPDKMPNNRT-QFIPXVFZSA-N 1 1 394.496 4.156 20 0 GIADMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000055083167 822937053 /nfs/dbraw/zinc/93/70/53/822937053.db2.gz WOUSDABUEYBKEA-UHFFFAOYSA-N 1 1 394.494 4.397 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)ccc1F ZINC000186695672 822939345 /nfs/dbraw/zinc/93/93/45/822939345.db2.gz CKJHOLHNOCYMSP-IVZQSRNASA-N 1 1 379.435 4.377 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@H+]3CC[C@]4(C3)OCc3ccccc34)n2)ccc1F ZINC000186695672 822939348 /nfs/dbraw/zinc/93/93/48/822939348.db2.gz CKJHOLHNOCYMSP-IVZQSRNASA-N 1 1 379.435 4.377 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000055152474 822941245 /nfs/dbraw/zinc/94/12/45/822941245.db2.gz WMLCFPHATQRBKM-NWDGAFQWSA-N 1 1 382.382 4.114 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000055152311 822941271 /nfs/dbraw/zinc/94/12/71/822941271.db2.gz MDLHHNDTVKGFDF-VXGBXAGGSA-N 1 1 395.272 4.275 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000569617423 822945492 /nfs/dbraw/zinc/94/54/92/822945492.db2.gz ABIYAWYSJXECMG-QGZVFWFLSA-N 1 1 386.565 4.034 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000569617423 822945495 /nfs/dbraw/zinc/94/54/95/822945495.db2.gz ABIYAWYSJXECMG-QGZVFWFLSA-N 1 1 386.565 4.034 20 0 GIADMO COc1cc(C)c(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000186734297 822947102 /nfs/dbraw/zinc/94/71/02/822947102.db2.gz SAOPOZZPVZEGHT-HNNXBMFYSA-N 1 1 391.512 4.238 20 0 GIADMO CCc1nc(CC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cs1 ZINC000055260454 822948664 /nfs/dbraw/zinc/94/86/64/822948664.db2.gz SDCWCCGHWRHVEQ-CALCHBBNSA-N 1 1 385.577 4.042 20 0 GIADMO CC(=O)N(c1nc(CN(C)CC[N@@H+](C)C2CC2)cs1)c1ccc(Cl)cc1 ZINC000186746220 822949100 /nfs/dbraw/zinc/94/91/00/822949100.db2.gz XCPWSIXRVOSBKG-UHFFFAOYSA-N 1 1 392.956 4.007 20 0 GIADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sc2ccccc2c1Br ZINC000569652501 822950427 /nfs/dbraw/zinc/95/04/27/822950427.db2.gz AANTTYHLHLENSP-GFCCVEGCSA-N 1 1 381.339 4.268 20 0 GIADMO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000186757374 822950510 /nfs/dbraw/zinc/95/05/10/822950510.db2.gz XCWNKCVQPZLEIR-ZDUSSCGKSA-N 1 1 381.303 4.107 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000055313310 822950867 /nfs/dbraw/zinc/95/08/67/822950867.db2.gz RCCGFYQULJJDNY-UHFFFAOYSA-N 1 1 383.879 4.244 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC[N@H+]1C ZINC000175377875 822951530 /nfs/dbraw/zinc/95/15/30/822951530.db2.gz VJYUOBDYNUOUJF-JXFKEZNVSA-N 1 1 385.483 4.351 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000186766199 822951697 /nfs/dbraw/zinc/95/16/97/822951697.db2.gz ALDSFDPGDXWXDR-UHFFFAOYSA-N 1 1 394.544 4.021 20 0 GIADMO [NH3+][C@@H](CNC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000569677406 822954007 /nfs/dbraw/zinc/95/40/07/822954007.db2.gz JCKXVUKEPKCGPH-LPHOPBHVSA-N 1 1 397.910 4.153 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000186780717 822954489 /nfs/dbraw/zinc/95/44/89/822954489.db2.gz SESFBQMWPHWHEH-UHFFFAOYSA-N 1 1 384.332 4.283 20 0 GIADMO Cc1nc2c(F)cccc2cc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000569698715 822956313 /nfs/dbraw/zinc/95/63/13/822956313.db2.gz UQLWAIUTOGTNOK-UHFFFAOYSA-N 1 1 384.480 4.158 20 0 GIADMO Cc1nc2c(F)cccc2cc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000569698715 822956316 /nfs/dbraw/zinc/95/63/16/822956316.db2.gz UQLWAIUTOGTNOK-UHFFFAOYSA-N 1 1 384.480 4.158 20 0 GIADMO C[N@H+]1CC[C@H](NCc2csc(COc3ccc(F)cc3)n2)[C@@H]1c1ccccc1 ZINC000569699331 822956434 /nfs/dbraw/zinc/95/64/34/822956434.db2.gz CUSYQZCOCZELLN-UNMCSNQZSA-N 1 1 397.519 4.396 20 0 GIADMO CN1CC[C@H]([NH2+]Cc2csc(COc3ccc(F)cc3)n2)[C@@H]1c1ccccc1 ZINC000569699331 822956437 /nfs/dbraw/zinc/95/64/37/822956437.db2.gz CUSYQZCOCZELLN-UNMCSNQZSA-N 1 1 397.519 4.396 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000569703305 822956890 /nfs/dbraw/zinc/95/68/90/822956890.db2.gz SEBVKZGFAXWSHL-KNQAVFIVSA-N 1 1 399.510 4.266 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccncc1 ZINC000175398649 822958990 /nfs/dbraw/zinc/95/89/90/822958990.db2.gz LLLRGLUSOYJWIL-PGRDOPGGSA-N 1 1 380.536 4.264 20 0 GIADMO C[C@H]1C[C@H](NC(=O)NCc2ccc(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000175400161 822959416 /nfs/dbraw/zinc/95/94/16/822959416.db2.gz YHILXZUDWDRJJB-GOEBONIOSA-N 1 1 377.941 4.254 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2F)C1 ZINC000569730955 822960073 /nfs/dbraw/zinc/96/00/73/822960073.db2.gz MUJUYLVHBRQEML-INIZCTEOSA-N 1 1 390.524 4.073 20 0 GIADMO C[C@@H](NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000569733582 822960276 /nfs/dbraw/zinc/96/02/76/822960276.db2.gz MASHQQGIXVILQY-GOSISDBHSA-N 1 1 395.522 4.098 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1Br ZINC000175403532 822960546 /nfs/dbraw/zinc/96/05/46/822960546.db2.gz TWDWGTSJABSGBU-ZLOXQWCVSA-N 1 1 396.350 4.388 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000175421022 822964482 /nfs/dbraw/zinc/96/44/82/822964482.db2.gz FHWATEATDPGAGP-NRRJATNASA-N 1 1 396.915 4.238 20 0 GIADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186839803 822965029 /nfs/dbraw/zinc/96/50/29/822965029.db2.gz IPZCXPNBZOFGBW-ZDUSSCGKSA-N 1 1 379.913 4.049 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000175424111 822965348 /nfs/dbraw/zinc/96/53/48/822965348.db2.gz VLFWTLXPIXEJPW-CANCMXDXSA-N 1 1 379.909 4.042 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000175424111 822965351 /nfs/dbraw/zinc/96/53/51/822965351.db2.gz VLFWTLXPIXEJPW-CANCMXDXSA-N 1 1 379.909 4.042 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)NCC[C@H]2CCC[N@H+](C)C2)cs1 ZINC000458177862 822965572 /nfs/dbraw/zinc/96/55/72/822965572.db2.gz VYSWDEVXAACOTN-MRXNPFEDSA-N 1 1 389.590 4.206 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(OC4CCCCC4)c3)n1)OC2 ZINC000569766696 822965803 /nfs/dbraw/zinc/96/58/03/822965803.db2.gz JPETYPRKJWLHMK-SIKLNZKXSA-N 1 1 383.492 4.374 20 0 GIADMO COc1cc(C[N@H+]2CCC=C(c3ccncc3)C2)cc(OC)c1OCC(F)F ZINC000569768287 822966060 /nfs/dbraw/zinc/96/60/60/822966060.db2.gz AEWHCMTXGRQDJD-UHFFFAOYSA-N 1 1 390.430 4.032 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2csc(-c3ncccn3)n2)cc1 ZINC000055459054 822966235 /nfs/dbraw/zinc/96/62/35/822966235.db2.gz PACTYJLGIHKRQO-OAHLLOKOSA-N 1 1 393.516 4.227 20 0 GIADMO O=C(NC1CCC(C(F)F)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000458184636 822966221 /nfs/dbraw/zinc/96/62/21/822966221.db2.gz TVYDSNXKFLCFLM-JCYILVPMSA-N 1 1 386.433 4.084 20 0 GIADMO Cc1cc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000175431569 822967078 /nfs/dbraw/zinc/96/70/78/822967078.db2.gz VIBNJEJLPQNSPB-UHFFFAOYSA-N 1 1 380.410 4.263 20 0 GIADMO Cc1cc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000175431569 822967081 /nfs/dbraw/zinc/96/70/81/822967081.db2.gz VIBNJEJLPQNSPB-UHFFFAOYSA-N 1 1 380.410 4.263 20 0 GIADMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CCSCC1 ZINC000458193880 822967225 /nfs/dbraw/zinc/96/72/25/822967225.db2.gz MHZWGIIKZCHEAQ-FCHUYYIVSA-N 1 1 398.547 4.053 20 0 GIADMO CCCCOc1ccccc1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000175433426 822967563 /nfs/dbraw/zinc/96/75/63/822967563.db2.gz JUERNXFWPNTLJG-UHFFFAOYSA-N 1 1 382.508 4.359 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000186852515 822967859 /nfs/dbraw/zinc/96/78/59/822967859.db2.gz NVXGTMGYOOBVLC-HXUWFJFHSA-N 1 1 399.498 4.180 20 0 GIADMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000569788307 822969269 /nfs/dbraw/zinc/96/92/69/822969269.db2.gz SKCCBOKHPSRFEY-HSZRJFAPSA-N 1 1 382.552 4.291 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2c(F)ccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000186869190 822971405 /nfs/dbraw/zinc/97/14/05/822971405.db2.gz NZQLODQNDJXTMC-GOEBONIOSA-N 1 1 376.422 4.229 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000458237665 822972356 /nfs/dbraw/zinc/97/23/56/822972356.db2.gz ZIKKTMSNTZWELK-LJHODMEESA-N 1 1 399.362 4.309 20 0 GIADMO COc1ccc([C@@H](C)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1NC(C)=O ZINC000186880845 822973927 /nfs/dbraw/zinc/97/39/27/822973927.db2.gz ZYCPXEADCKHSNI-UZUQRXQVSA-N 1 1 395.547 4.215 20 0 GIADMO COc1ccc([C@@H](C)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1NC(C)=O ZINC000186880845 822973931 /nfs/dbraw/zinc/97/39/31/822973931.db2.gz ZYCPXEADCKHSNI-UZUQRXQVSA-N 1 1 395.547 4.215 20 0 GIADMO CN1C(=O)CCc2cc(C[N@H+](C)Cc3cc(Br)ccc3F)ccc21 ZINC000186884310 822974358 /nfs/dbraw/zinc/97/43/58/822974358.db2.gz BPUIHRDDXMJUQH-UHFFFAOYSA-N 1 1 391.284 4.129 20 0 GIADMO CN1C(=O)CCc2cc(C[N@@H+](C)Cc3cc(Br)ccc3F)ccc21 ZINC000186884310 822974360 /nfs/dbraw/zinc/97/43/60/822974360.db2.gz BPUIHRDDXMJUQH-UHFFFAOYSA-N 1 1 391.284 4.129 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C\c3cc(Cl)cc(Cl)c3)n1)OC2 ZINC000569855521 822976414 /nfs/dbraw/zinc/97/64/14/822976414.db2.gz CMALGLUTPJLUER-AZQYIBIBSA-N 1 1 380.275 4.473 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C\c3cc(Cl)cc(Cl)c3)n1)OC2 ZINC000569855521 822976417 /nfs/dbraw/zinc/97/64/17/822976417.db2.gz CMALGLUTPJLUER-AZQYIBIBSA-N 1 1 380.275 4.473 20 0 GIADMO COc1cc(C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)ccc1SC ZINC000569861603 822977650 /nfs/dbraw/zinc/97/76/50/822977650.db2.gz AILHRAGGPXEVNY-WGSAOQKQSA-N 1 1 387.545 4.428 20 0 GIADMO CC[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2ccccc2)c[nH]1 ZINC000569865060 822978033 /nfs/dbraw/zinc/97/80/33/822978033.db2.gz TXXFWBUPSOCXBS-SFTDATJTSA-N 1 1 388.515 4.166 20 0 GIADMO Fc1cccc(F)c1-c1csc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000569873835 822979193 /nfs/dbraw/zinc/97/91/93/822979193.db2.gz QJPIJZVNPWTDGS-GFCCVEGCSA-N 1 1 388.443 4.338 20 0 GIADMO Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)n1 ZINC000569873835 822979196 /nfs/dbraw/zinc/97/91/96/822979196.db2.gz QJPIJZVNPWTDGS-GFCCVEGCSA-N 1 1 388.443 4.338 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)onc1-c1c(Cl)cccc1OC ZINC000569885870 822980401 /nfs/dbraw/zinc/98/04/01/822980401.db2.gz OYUQMABFVJNSED-ZDUSSCGKSA-N 1 1 393.915 4.162 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000186921938 822980672 /nfs/dbraw/zinc/98/06/72/822980672.db2.gz VMOUPLWOQLEGTG-KRWDZBQOSA-N 1 1 397.519 4.104 20 0 GIADMO CC(C)[C@@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC000175485847 822980899 /nfs/dbraw/zinc/98/08/99/822980899.db2.gz QUMQYEGXJPPGRZ-NZQKXSOJSA-N 1 1 394.563 4.127 20 0 GIADMO O=C(Nc1cccc(Cl)c1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569891827 822981467 /nfs/dbraw/zinc/98/14/67/822981467.db2.gz QUUXPTPAXVPVIB-IRXDYDNUSA-N 1 1 387.886 4.465 20 0 GIADMO COc1ccc(-c2nc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)co2)cc1 ZINC000186946482 822984613 /nfs/dbraw/zinc/98/46/13/822984613.db2.gz LLGOJADPMVELDQ-UHFFFAOYSA-N 1 1 396.462 4.059 20 0 GIADMO CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1nc(C)cs1 ZINC000175509024 822986507 /nfs/dbraw/zinc/98/65/07/822986507.db2.gz SNKWUESQLCHCGK-NEWSRXKRSA-N 1 1 386.565 4.255 20 0 GIADMO CC[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1OC(F)F ZINC000175509013 822986514 /nfs/dbraw/zinc/98/65/14/822986514.db2.gz HAFDJPJXIAPGOL-BTFYYFJDSA-N 1 1 381.467 4.054 20 0 GIADMO CCc1ccc([C@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000175527123 822991007 /nfs/dbraw/zinc/99/10/07/822991007.db2.gz VJSYKHJPSULNRB-INIZCTEOSA-N 1 1 379.529 4.486 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000175529599 822991744 /nfs/dbraw/zinc/99/17/44/822991744.db2.gz XWYQGWJNEAKQGF-RDJZCZTQSA-N 1 1 380.602 4.228 20 0 GIADMO O=C(Cc1ccccc1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531334 822991927 /nfs/dbraw/zinc/99/19/27/822991927.db2.gz YEUMPQWMQGVSAL-FQEVSTJZSA-N 1 1 390.449 4.142 20 0 GIADMO Cc1nc([C@H]2CCCN2C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC000186982083 822991947 /nfs/dbraw/zinc/99/19/47/822991947.db2.gz OTCKJAYVAGJSRQ-OXQOHEQNSA-N 1 1 386.565 4.209 20 0 GIADMO Cc1ccc(NC(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046366 823000454 /nfs/dbraw/zinc/00/04/54/823000454.db2.gz XSKRSZWAWYSKDP-IBGZPJMESA-N 1 1 397.950 4.374 20 0 GIADMO Cc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046366 823000456 /nfs/dbraw/zinc/00/04/56/823000456.db2.gz XSKRSZWAWYSKDP-IBGZPJMESA-N 1 1 397.950 4.374 20 0 GIADMO COc1cc(F)c(C[NH2+][C@@H](Cn2ccnc2)c2ccc(C)cc2C)cc1OC ZINC000570049764 823000942 /nfs/dbraw/zinc/00/09/42/823000942.db2.gz TWSRTOJXKRKCET-FQEVSTJZSA-N 1 1 383.467 4.187 20 0 GIADMO Cc1cnc([C@@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000175580217 823001690 /nfs/dbraw/zinc/00/16/90/823001690.db2.gz SWDCOIUPWGVOLB-KXBFYZLASA-N 1 1 386.565 4.112 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](OC)c1ccccc1 ZINC000570061114 823001901 /nfs/dbraw/zinc/00/19/01/823001901.db2.gz BRVCAURUMFDHOR-GOSISDBHSA-N 1 1 380.410 4.354 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](OC)c1ccccc1 ZINC000570061114 823001904 /nfs/dbraw/zinc/00/19/04/823001904.db2.gz BRVCAURUMFDHOR-GOSISDBHSA-N 1 1 380.410 4.354 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000187043767 823003019 /nfs/dbraw/zinc/00/30/19/823003019.db2.gz NGGKQOCSYALUHE-MHZLTWQESA-N 1 1 380.513 4.127 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000187043767 823003022 /nfs/dbraw/zinc/00/30/22/823003022.db2.gz NGGKQOCSYALUHE-MHZLTWQESA-N 1 1 380.513 4.127 20 0 GIADMO Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000570098174 823005741 /nfs/dbraw/zinc/00/57/41/823005741.db2.gz OUPGDYJDKNRCBP-QHAWAJNXSA-N 1 1 378.520 4.013 20 0 GIADMO C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000570110293 823006494 /nfs/dbraw/zinc/00/64/94/823006494.db2.gz OFPLUQNSPUDGES-UAOJZALGSA-N 1 1 397.412 4.210 20 0 GIADMO C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000570110293 823006497 /nfs/dbraw/zinc/00/64/97/823006497.db2.gz OFPLUQNSPUDGES-UAOJZALGSA-N 1 1 397.412 4.210 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000187088030 823008997 /nfs/dbraw/zinc/00/89/97/823008997.db2.gz LOVFLUPSCAHKHZ-YJBOKZPZSA-N 1 1 375.900 4.039 20 0 GIADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000187098652 823010493 /nfs/dbraw/zinc/01/04/93/823010493.db2.gz OGXWPTVAWLQCKN-MRXNPFEDSA-N 1 1 381.950 4.460 20 0 GIADMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccccc1 ZINC000187127258 823014643 /nfs/dbraw/zinc/01/46/43/823014643.db2.gz 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C[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411417950 823571936 /nfs/dbraw/zinc/57/19/36/823571936.db2.gz JFZBCRDQBUGIHN-HTAPYJJXSA-N 1 1 379.529 4.432 20 0 GIADMO C[C@@]1(CCCO)CCC[N@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000411433978 823573766 /nfs/dbraw/zinc/57/37/66/823573766.db2.gz BCWZPKVNZKEPBZ-DEOSSOPVSA-N 1 1 396.531 4.221 20 0 GIADMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000411434735 823573775 /nfs/dbraw/zinc/57/37/75/823573775.db2.gz ZHJUIXRBNDQOBT-JOCHJYFZSA-N 1 1 377.488 4.287 20 0 GIADMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000411434735 823573776 /nfs/dbraw/zinc/57/37/76/823573776.db2.gz ZHJUIXRBNDQOBT-JOCHJYFZSA-N 1 1 377.488 4.287 20 0 GIADMO C[C@@]1(CCCO)CCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000411439716 823574440 /nfs/dbraw/zinc/57/44/40/823574440.db2.gz MXRCXVCTDIPWTN-NRFANRHFSA-N 1 1 383.517 4.191 20 0 GIADMO C[C@@]1(CCCO)CCC[N@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000411439716 823574443 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20 0 GIADMO Cc1ccncc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000461103148 823577878 /nfs/dbraw/zinc/57/78/78/823577878.db2.gz RPHRAGBANINVQJ-UHFFFAOYSA-N 1 1 378.303 4.091 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)C2CC2)n1 ZINC000411484408 823580234 /nfs/dbraw/zinc/58/02/34/823580234.db2.gz XVVPEGCTBRCSBD-OAQYLSRUSA-N 1 1 395.528 4.314 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)Nc1cc(Cl)ccc1Cl ZINC000461117412 823580524 /nfs/dbraw/zinc/58/05/24/823580524.db2.gz ULYNHGMAHWGREM-HNNXBMFYSA-N 1 1 380.275 4.204 20 0 GIADMO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411490695 823581016 /nfs/dbraw/zinc/58/10/16/823581016.db2.gz TYJYPLIYLYZKCX-RBZFPXEDSA-N 1 1 376.884 4.036 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2Cc2c(C)nn(C)c2OCC(F)(F)F)c1 ZINC000124258615 823581711 /nfs/dbraw/zinc/58/17/11/823581711.db2.gz DQBYTIVJEFNDJE-KRWDZBQOSA-N 1 1 383.414 4.015 20 0 GIADMO CC(C)(CNC(=O)Nc1cccc(OC(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000061166324 823581953 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ZINC000411612511 823590641 /nfs/dbraw/zinc/59/06/41/823590641.db2.gz ILVCFBOGEFYBHX-HXUWFJFHSA-N 1 1 393.462 4.226 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000124384135 823592210 /nfs/dbraw/zinc/59/22/10/823592210.db2.gz WPLIZCLJUYVJRK-HXUWFJFHSA-N 1 1 393.531 4.373 20 0 GIADMO C[C@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000061351769 823592984 /nfs/dbraw/zinc/59/29/84/823592984.db2.gz DGMPIZWUMOQWQG-RTBURBONSA-N 1 1 383.536 4.475 20 0 GIADMO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000061351767 823593045 /nfs/dbraw/zinc/59/30/45/823593045.db2.gz OYAIOZXAHUXCCC-RTBURBONSA-N 1 1 383.536 4.475 20 0 GIADMO CCC[C@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000411651544 823594347 /nfs/dbraw/zinc/59/43/47/823594347.db2.gz XJVJUYIADJLFMG-OAQYLSRUSA-N 1 1 383.517 4.191 20 0 GIADMO CCC[C@]1(CO)CCC[N@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000411651544 823594350 /nfs/dbraw/zinc/59/43/50/823594350.db2.gz 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COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000411729431 823600628 /nfs/dbraw/zinc/60/06/28/823600628.db2.gz FKWVPARKTKNAFU-HXUWFJFHSA-N 1 1 378.476 4.046 20 0 GIADMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000411729431 823600629 /nfs/dbraw/zinc/60/06/29/823600629.db2.gz FKWVPARKTKNAFU-HXUWFJFHSA-N 1 1 378.476 4.046 20 0 GIADMO O=C(Nc1ccc(Cl)cc1-c1ccccc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000190730982 823603028 /nfs/dbraw/zinc/60/30/28/823603028.db2.gz FTDJDQGOZTUXMK-KRWDZBQOSA-N 1 1 399.922 4.193 20 0 GIADMO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000411762249 823603148 /nfs/dbraw/zinc/60/31/48/823603148.db2.gz WXZPGWMOTJOYCL-HTAPYJJXSA-N 1 1 398.572 4.366 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1C ZINC000411766491 823603579 /nfs/dbraw/zinc/60/35/79/823603579.db2.gz JVGTUDJHNLPULA-DZGCQCFKSA-N 1 1 396.466 4.081 20 0 GIADMO Cc1sc(C2([NH2+]CC(=O)N(C)C(C)C)CCC2)nc1-c1ccccc1F 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CCc1sc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1C ZINC000124569815 823607345 /nfs/dbraw/zinc/60/73/45/823607345.db2.gz UHWANMZNXIIOQO-RTBURBONSA-N 1 1 391.625 4.028 20 0 GIADMO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000124574473 823607620 /nfs/dbraw/zinc/60/76/20/823607620.db2.gz CPFHOTLFPLUEKF-BBWFWOEESA-N 1 1 387.593 4.474 20 0 GIADMO Cc1ccc(-n2nc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)c3c2CCCC3)cc1 ZINC000461263340 823608182 /nfs/dbraw/zinc/60/81/82/823608182.db2.gz LNQJDTQWQCSKTC-IBGZPJMESA-N 1 1 394.563 4.006 20 0 GIADMO CC(C)Oc1cc(Br)ccc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461266177 823608870 /nfs/dbraw/zinc/60/88/70/823608870.db2.gz RQOVPWOHGOGOPM-INIZCTEOSA-N 1 1 397.357 4.183 20 0 GIADMO CC(C)(C)C[C@H](NC(=O)C[NH+]1CCC(c2ccncn2)CC1)c1ccc(F)cc1 ZINC000411826841 823609108 /nfs/dbraw/zinc/60/91/08/823609108.db2.gz KDAJWMMNTNTGMS-NRFANRHFSA-N 1 1 398.526 4.089 20 0 GIADMO COc1cccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1OC(F)F ZINC000124599656 823609950 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389.613 4.143 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)[C@H](C)C1 ZINC000461299553 823613748 /nfs/dbraw/zinc/61/37/48/823613748.db2.gz ZLFHQQPTUFGJAJ-AEFFLSMTSA-N 1 1 389.613 4.143 20 0 GIADMO O=C(NCc1ccc(Cl)s1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788586 823614234 /nfs/dbraw/zinc/61/42/34/823614234.db2.gz MKEGPLRYAGXEJS-UHFFFAOYSA-N 1 1 381.954 4.272 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccc(F)cc1F ZINC000061790381 823614718 /nfs/dbraw/zinc/61/47/18/823614718.db2.gz VFASXCDOAAVOLK-AWEZNQCLSA-N 1 1 391.487 4.396 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000411930719 823614760 /nfs/dbraw/zinc/61/47/60/823614760.db2.gz ZNOSGLPFELCLTG-IRLDBZIGSA-N 1 1 378.447 4.108 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)[C@H](C)C1 ZINC000461309374 823615323 /nfs/dbraw/zinc/61/53/23/823615323.db2.gz QOSMBBLUMYQGDP-YLJYHZDGSA-N 1 1 395.576 4.221 20 0 GIADMO CCCCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1cccs1 ZINC000461312545 823615833 /nfs/dbraw/zinc/61/58/33/823615833.db2.gz KMVKMPZFNYLWPA-UHFFFAOYSA-N 1 1 387.597 4.185 20 0 GIADMO Cc1ccc2oc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)cc2c1 ZINC000124676304 823616294 /nfs/dbraw/zinc/61/62/94/823616294.db2.gz WBNGSCSDWOPQKB-SFTDATJTSA-N 1 1 397.563 4.150 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)CCCCc2ccc(Br)cc2)CC[N@H+]1C ZINC000124678350 823616641 /nfs/dbraw/zinc/61/66/41/823616641.db2.gz ULWHVMFVZTZPKK-QAPCUYQASA-N 1 1 381.358 4.103 20 0 GIADMO COCc1cccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000061867701 823616814 /nfs/dbraw/zinc/61/68/14/823616814.db2.gz WUDZUMDVESOSPA-LJQANCHMSA-N 1 1 395.547 4.207 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000411962719 823617096 /nfs/dbraw/zinc/61/70/96/823617096.db2.gz VDJMEZBZCMZFBQ-ISKFKSNPSA-N 1 1 380.507 4.242 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976522 823617454 /nfs/dbraw/zinc/61/74/54/823617454.db2.gz DJFSDKLCRADGHC-DEOSSOPVSA-N 1 1 392.499 4.132 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1Cl ZINC000411981418 823617608 /nfs/dbraw/zinc/61/76/08/823617608.db2.gz AUCSVNCEBHAPBQ-VGOFRKELSA-N 1 1 398.934 4.371 20 0 GIADMO C[C@@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1Cl ZINC000411981418 823617610 /nfs/dbraw/zinc/61/76/10/823617610.db2.gz AUCSVNCEBHAPBQ-VGOFRKELSA-N 1 1 398.934 4.371 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1Cl ZINC000411981422 823617633 /nfs/dbraw/zinc/61/76/33/823617633.db2.gz AUCSVNCEBHAPBQ-VGSWGCGISA-N 1 1 398.934 4.371 20 0 GIADMO C[C@@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1Cl ZINC000411981422 823617634 /nfs/dbraw/zinc/61/76/34/823617634.db2.gz AUCSVNCEBHAPBQ-VGSWGCGISA-N 1 1 398.934 4.371 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccncc1Cl)C(C)C ZINC000411980204 823617648 /nfs/dbraw/zinc/61/76/48/823617648.db2.gz GMHPDQIAZVQGDJ-MRXNPFEDSA-N 1 1 380.941 4.107 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccncc1Cl)C(C)C ZINC000411980204 823617650 /nfs/dbraw/zinc/61/76/50/823617650.db2.gz GMHPDQIAZVQGDJ-MRXNPFEDSA-N 1 1 380.941 4.107 20 0 GIADMO CC(C)OC(=O)Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)cs1 ZINC000411984916 823618188 /nfs/dbraw/zinc/61/81/88/823618188.db2.gz NLLWGABGDHDEDI-IBGZPJMESA-N 1 1 384.545 4.407 20 0 GIADMO CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccc(F)cc1 ZINC000461329296 823618496 /nfs/dbraw/zinc/61/84/96/823618496.db2.gz CCMVIKDOFPOXMZ-RJGXRXQPSA-N 1 1 396.506 4.422 20 0 GIADMO CC(C)N(C(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000411990641 823618661 /nfs/dbraw/zinc/61/86/61/823618661.db2.gz RLRDBDITNLWNLX-QHCPKHFHSA-N 1 1 378.516 4.282 20 0 GIADMO CC(C)N(C(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000411990641 823618662 /nfs/dbraw/zinc/61/86/62/823618662.db2.gz RLRDBDITNLWNLX-QHCPKHFHSA-N 1 1 378.516 4.282 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cn2c(cccc2C)n1)C(C)C ZINC000411991513 823618691 /nfs/dbraw/zinc/61/86/91/823618691.db2.gz XVHYYXOSNOFEIG-IBGZPJMESA-N 1 1 399.560 4.015 20 0 GIADMO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995200 823619203 /nfs/dbraw/zinc/61/92/03/823619203.db2.gz CILIQVJEZJZXAS-DNVFCKCGSA-N 1 1 390.527 4.206 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(C)c1 ZINC000411996015 823619420 /nfs/dbraw/zinc/61/94/20/823619420.db2.gz FUMNYHFPOUBYLQ-HSZRJFAPSA-N 1 1 378.516 4.404 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(C)c1 ZINC000411996015 823619422 /nfs/dbraw/zinc/61/94/22/823619422.db2.gz FUMNYHFPOUBYLQ-HSZRJFAPSA-N 1 1 378.516 4.404 20 0 GIADMO C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000124711472 823619713 /nfs/dbraw/zinc/61/97/13/823619713.db2.gz JVBIPDUCZIEVJM-DDJZOOQRSA-N 1 1 384.589 4.231 20 0 GIADMO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000124711472 823619714 /nfs/dbraw/zinc/61/97/14/823619714.db2.gz JVBIPDUCZIEVJM-DDJZOOQRSA-N 1 1 384.589 4.231 20 0 GIADMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000071 823620118 /nfs/dbraw/zinc/62/01/18/823620118.db2.gz NPOHURVPNNYFOH-DYESRHJHSA-N 1 1 398.934 4.198 20 0 GIADMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000071 823620120 /nfs/dbraw/zinc/62/01/20/823620120.db2.gz NPOHURVPNNYFOH-DYESRHJHSA-N 1 1 398.934 4.198 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001144 823620312 /nfs/dbraw/zinc/62/03/12/823620312.db2.gz PIOUMTYMEYFIKR-SIKLNZKXSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001144 823620318 /nfs/dbraw/zinc/62/03/18/823620318.db2.gz PIOUMTYMEYFIKR-SIKLNZKXSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001146 823620436 /nfs/dbraw/zinc/62/04/36/823620436.db2.gz PIOUMTYMEYFIKR-UGKGYDQZSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001146 823620438 /nfs/dbraw/zinc/62/04/38/823620438.db2.gz PIOUMTYMEYFIKR-UGKGYDQZSA-N 1 1 378.516 4.484 20 0 GIADMO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001481 823620448 /nfs/dbraw/zinc/62/04/48/823620448.db2.gz QBXYSWOYQAJJOU-XXBNENTESA-N 1 1 390.527 4.208 20 0 GIADMO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001481 823620449 /nfs/dbraw/zinc/62/04/49/823620449.db2.gz QBXYSWOYQAJJOU-XXBNENTESA-N 1 1 390.527 4.208 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)NC1(c2ccccc2)CCC1 ZINC000412002532 823620653 /nfs/dbraw/zinc/62/06/53/823620653.db2.gz UMDTWXQONOFBPO-QHCPKHFHSA-N 1 1 390.527 4.036 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)NC1(c2ccccc2)CCC1 ZINC000412002532 823620654 /nfs/dbraw/zinc/62/06/54/823620654.db2.gz UMDTWXQONOFBPO-QHCPKHFHSA-N 1 1 390.527 4.036 20 0 GIADMO Cc1nc(C(C)(C)[NH2+]Cc2cc3c(c(Br)c2)OCO3)sc1C ZINC000124725701 823621268 /nfs/dbraw/zinc/62/12/68/823621268.db2.gz SOANBZALMSXAIK-UHFFFAOYSA-N 1 1 383.311 4.276 20 0 GIADMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412005214 823621281 /nfs/dbraw/zinc/62/12/81/823621281.db2.gz ZTTZILVCBRIECL-XUZZJYLKSA-N 1 1 395.543 4.403 20 0 GIADMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412005223 823621376 /nfs/dbraw/zinc/62/13/76/823621376.db2.gz ZVIRUFORAVWTLV-UGKGYDQZSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412005223 823621378 /nfs/dbraw/zinc/62/13/78/823621378.db2.gz ZVIRUFORAVWTLV-UGKGYDQZSA-N 1 1 378.516 4.484 20 0 GIADMO OCC1([C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)c2ccccc2)CCOCC1 ZINC000412006152 823621562 /nfs/dbraw/zinc/62/15/62/823621562.db2.gz CARCWSWNULFWND-JOCHJYFZSA-N 1 1 394.540 4.430 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000412006846 823621733 /nfs/dbraw/zinc/62/17/33/823621733.db2.gz HXILXGLHXDDAGZ-YADHBBJMSA-N 1 1 379.504 4.242 20 0 GIADMO C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)Oc1ccccc1Cl ZINC000461349884 823621740 /nfs/dbraw/zinc/62/17/40/823621740.db2.gz DTJHYIDKUMCOAO-UGSOOPFHSA-N 1 1 381.303 4.180 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009281 823622033 /nfs/dbraw/zinc/62/20/33/823622033.db2.gz NLUVZMZJPLKRPX-HXUWFJFHSA-N 1 1 398.528 4.332 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2ncc(Cl)cc2Cl)c2ccccc2)CCOCC1 ZINC000412008396 823622089 /nfs/dbraw/zinc/62/20/89/823622089.db2.gz HKZJDWMQHFGLKI-SFHVURJKSA-N 1 1 381.303 4.008 20 0 GIADMO Cc1ccc([C@@H](CNC(=O)c2scc(C)c2Br)[NH+]2CCCC2)o1 ZINC000190914051 823623474 /nfs/dbraw/zinc/62/34/74/823623474.db2.gz LKGKUFGRXRXWFB-CYBMUJFWSA-N 1 1 397.338 4.287 20 0 GIADMO C[C@@H](c1ccc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)cc1)[NH+]1CCOCC1 ZINC000412038632 823623894 /nfs/dbraw/zinc/62/38/94/823623894.db2.gz XYFSSYSBFHKMOF-SBUREZEXSA-N 1 1 394.515 4.308 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000412045072 823624147 /nfs/dbraw/zinc/62/41/47/823624147.db2.gz RFBYCQGJANIJDD-CQSZACIVSA-N 1 1 376.884 4.206 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000412045072 823624149 /nfs/dbraw/zinc/62/41/49/823624149.db2.gz RFBYCQGJANIJDD-CQSZACIVSA-N 1 1 376.884 4.206 20 0 GIADMO CC(C)c1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1C(C)(C)C ZINC000062229984 823625079 /nfs/dbraw/zinc/62/50/79/823625079.db2.gz BJUVBMRITKBFHW-HXUWFJFHSA-N 1 1 396.579 4.404 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccn1Cc1ccccc1 ZINC000062230578 823625277 /nfs/dbraw/zinc/62/52/77/823625277.db2.gz BWZJSTOTZADEJC-HSZRJFAPSA-N 1 1 387.527 4.178 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1Cl ZINC000062231518 823625502 /nfs/dbraw/zinc/62/55/02/823625502.db2.gz FXXWQOBJROAJGW-HNNXBMFYSA-N 1 1 378.850 4.260 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000412080666 823626034 /nfs/dbraw/zinc/62/60/34/823626034.db2.gz VZGKOSUHFUTFAM-AWEZNQCLSA-N 1 1 383.330 4.178 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000412080666 823626035 /nfs/dbraw/zinc/62/60/35/823626035.db2.gz VZGKOSUHFUTFAM-AWEZNQCLSA-N 1 1 383.330 4.178 20 0 GIADMO CC(C)[N@@H+](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C[C@H]1CCC(=O)N1 ZINC000412088728 823626402 /nfs/dbraw/zinc/62/64/02/823626402.db2.gz SIQXKDJZNRHQOS-OAHLLOKOSA-N 1 1 397.466 4.318 20 0 GIADMO CC(C)[N@H+](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C[C@H]1CCC(=O)N1 ZINC000412088728 823626405 /nfs/dbraw/zinc/62/64/05/823626405.db2.gz SIQXKDJZNRHQOS-OAHLLOKOSA-N 1 1 397.466 4.318 20 0 GIADMO C[C@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000412112076 823627040 /nfs/dbraw/zinc/62/70/40/823627040.db2.gz BCMACNONMJJXKB-IFIJOSMWSA-N 1 1 392.412 4.496 20 0 GIADMO FC(F)(F)Cn1nnnc1C[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000190948685 823629121 /nfs/dbraw/zinc/62/91/21/823629121.db2.gz SANLMIRKQBMBQM-SFHVURJKSA-N 1 1 389.425 4.089 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000412169632 823632318 /nfs/dbraw/zinc/63/23/18/823632318.db2.gz CCZJMYXGWRQDPO-RVSNTGDXSA-N 1 1 392.543 4.445 20 0 GIADMO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1(c2cccc(Cl)c2)CC1 ZINC000461421435 823632898 /nfs/dbraw/zinc/63/28/98/823632898.db2.gz CNXVXJXQXKIESL-PMACEKPBSA-N 1 1 394.946 4.352 20 0 GIADMO COc1ccc([C@H](C)CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461421292 823632949 /nfs/dbraw/zinc/63/29/49/823632949.db2.gz HFWYHDGPWLBACF-WTIAFYNJSA-N 1 1 392.543 4.169 20 0 GIADMO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C(F)(F)F)o1 ZINC000461422571 823633286 /nfs/dbraw/zinc/63/32/86/823633286.db2.gz DDYCFXPCQOCXPT-IRXDYDNUSA-N 1 1 392.421 4.201 20 0 GIADMO CC[C@H](OC1CCCCC1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461426976 823634322 /nfs/dbraw/zinc/63/43/22/823634322.db2.gz LFTPKHZAMHODDB-XPNTWCBSSA-N 1 1 384.564 4.095 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000412194734 823634566 /nfs/dbraw/zinc/63/45/66/823634566.db2.gz OMTIOVXUNGCMFB-BVYCBKJFSA-N 1 1 384.564 4.302 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000412194735 823634612 /nfs/dbraw/zinc/63/46/12/823634612.db2.gz OMTIOVXUNGCMFB-YUXAGFNASA-N 1 1 384.564 4.302 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+]Cc1cc(Br)cs1)c1ccccc1 ZINC000062422745 823634763 /nfs/dbraw/zinc/63/47/63/823634763.db2.gz OLMJUAWCTXSIKX-MRXNPFEDSA-N 1 1 381.339 4.210 20 0 GIADMO C[C@H](CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[NH+]1CCC(C)CC1 ZINC000062423464 823635054 /nfs/dbraw/zinc/63/50/54/823635054.db2.gz WOEVYUMGYBGUAU-MRXNPFEDSA-N 1 1 380.458 4.101 20 0 GIADMO O=C(CCc1c[nH]c2ccccc12)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429197 823635099 /nfs/dbraw/zinc/63/50/99/823635099.db2.gz NLTZPFYQXDEOCY-FGZHOGPDSA-N 1 1 387.527 4.081 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000190995803 823636176 /nfs/dbraw/zinc/63/61/76/823636176.db2.gz ZAJJXGSVRIFDEF-MJGOQNOKSA-N 1 1 390.890 4.033 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000190995803 823636177 /nfs/dbraw/zinc/63/61/77/823636177.db2.gz ZAJJXGSVRIFDEF-MJGOQNOKSA-N 1 1 390.890 4.033 20 0 GIADMO CCNc1ccc(Cl)cc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436265 823637206 /nfs/dbraw/zinc/63/72/06/823637206.db2.gz NXZYWOCKKDFRBQ-RBUKOAKNSA-N 1 1 397.950 4.366 20 0 GIADMO CCC(CC)c1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)on1 ZINC000461437669 823637370 /nfs/dbraw/zinc/63/73/70/823637370.db2.gz IJSNZJWKTJNTNI-WOJBJXKFSA-N 1 1 381.520 4.172 20 0 GIADMO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1C(C)C ZINC000461438054 823637416 /nfs/dbraw/zinc/63/74/16/823637416.db2.gz JYEWPMPCYKUVHB-VXKWHMMOSA-N 1 1 379.548 4.280 20 0 GIADMO O=C(Cc1csc2ccccc12)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461441766 823638197 /nfs/dbraw/zinc/63/81/97/823638197.db2.gz GHAQZTVDBQGPFT-PZJWPPBQSA-N 1 1 390.552 4.424 20 0 GIADMO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000124945497 823639246 /nfs/dbraw/zinc/63/92/46/823639246.db2.gz ZOVYVKCVBHUZEF-FXAWDEMLSA-N 1 1 386.565 4.148 20 0 GIADMO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461447275 823639654 /nfs/dbraw/zinc/63/96/54/823639654.db2.gz FRBAJPGATFGGFM-WTIAFYNJSA-N 1 1 394.534 4.375 20 0 GIADMO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461447273 823639660 /nfs/dbraw/zinc/63/96/60/823639660.db2.gz FRBAJPGATFGGFM-PTUXOGIPSA-N 1 1 394.534 4.375 20 0 GIADMO Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000412254737 823640100 /nfs/dbraw/zinc/64/01/00/823640100.db2.gz JYDBIVRKNKGBNY-AWEZNQCLSA-N 1 1 395.425 4.132 20 0 GIADMO Cc1ccc2cc(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccc2n1 ZINC000461449951 823640223 /nfs/dbraw/zinc/64/02/23/823640223.db2.gz PLMQKAHYFCQHJU-PKTZIBPZSA-N 1 1 385.511 4.137 20 0 GIADMO O=C([C@@H]1CCSc2ccccc21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461456864 823641443 /nfs/dbraw/zinc/64/14/43/823641443.db2.gz QHCZBUDDLGISDA-JAXLGGSGSA-N 1 1 392.568 4.247 20 0 GIADMO O=C([C@@H]1[C@@H](c2ccccc2)C1(F)F)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461457552 823641652 /nfs/dbraw/zinc/64/16/52/823641652.db2.gz VBUXECGSBAEDNA-MBDNFAEBSA-N 1 1 396.481 4.016 20 0 GIADMO O=C([C@@H]1[C@@H](c2ccccc2)C1(F)F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457550 823641682 /nfs/dbraw/zinc/64/16/82/823641682.db2.gz VBUXECGSBAEDNA-CBPXPLCBSA-N 1 1 396.481 4.016 20 0 GIADMO CSCc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1F ZINC000461457728 823641717 /nfs/dbraw/zinc/64/17/17/823641717.db2.gz VIJHTGGMVKFGJQ-FPOVZHCZSA-N 1 1 398.547 4.283 20 0 GIADMO C[C@H](Cc1cccc(Cl)c1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458908 823641919 /nfs/dbraw/zinc/64/19/19/823641919.db2.gz WMRMFPIMBKSNQX-BVYCBKJFSA-N 1 1 396.962 4.499 20 0 GIADMO CC(C)(C)c1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000461459048 823642114 /nfs/dbraw/zinc/64/21/14/823642114.db2.gz YMNWDXGGMYQZAP-QZTJIDSGSA-N 1 1 383.561 4.035 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2cc[nH]n2)s1 ZINC000461466337 823642920 /nfs/dbraw/zinc/64/29/20/823642920.db2.gz IAVZKIFQAUJVGV-SFHVURJKSA-N 1 1 394.544 4.170 20 0 GIADMO COc1ccc(CSc2nnc(SCC[C@H]3CCC[N@H+]3C)s2)cc1 ZINC000124992663 823643393 /nfs/dbraw/zinc/64/33/93/823643393.db2.gz WJJTVRPNNAQDCK-CQSZACIVSA-N 1 1 381.592 4.415 20 0 GIADMO CC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000461473877 823644026 /nfs/dbraw/zinc/64/40/26/823644026.db2.gz ITLGLCLRNRCWGJ-IBGZPJMESA-N 1 1 382.479 4.060 20 0 GIADMO CN(C)C(=O)Cc1nc(C[N@H+]2CCCC[C@H]2CCCc2ccccc2)cs1 ZINC000125007038 823644479 /nfs/dbraw/zinc/64/44/79/823644479.db2.gz MMLLHPPTWHBYIN-FQEVSTJZSA-N 1 1 385.577 4.151 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000412370148 823650423 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20 0 GIADMO C[N@@H+](Cc1ccccc1NS(=O)(=O)CCc1cccs1)C1CCCCC1 ZINC000192010148 823834250 /nfs/dbraw/zinc/83/42/50/823834250.db2.gz BGJYQZOEKUUEKY-UHFFFAOYSA-N 1 1 392.590 4.497 20 0 GIADMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000165228050 823841124 /nfs/dbraw/zinc/84/11/24/823841124.db2.gz KDGSLDXOGHSHFL-OAHLLOKOSA-N 1 1 395.425 4.099 20 0 GIADMO CC(C)(CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000413789361 823841586 /nfs/dbraw/zinc/84/15/86/823841586.db2.gz ITAYWOIEXZQBHZ-VQTJNVASSA-N 1 1 386.486 4.452 20 0 GIADMO CC[C@@H](c1ccncc1)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000126329651 823841599 /nfs/dbraw/zinc/84/15/99/823841599.db2.gz VSCJHTHRMJVKAE-GLCCWIKHSA-N 1 1 392.547 4.370 20 0 GIADMO C[NH+]1CCC(CNC(=O)c2ccc(C3CCCC3)cc2)(N2CCCCC2)CC1 ZINC000574849392 823841995 /nfs/dbraw/zinc/84/19/95/823841995.db2.gz CUWIFIJIJPUUHT-UHFFFAOYSA-N 1 1 383.580 4.024 20 0 GIADMO CC(C)[N@@H+](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)Cc1ccccc1 ZINC000064555876 823843362 /nfs/dbraw/zinc/84/33/62/823843362.db2.gz ZZTLBPHUXZKIPU-PMACEKPBSA-N 1 1 395.547 4.149 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1(c2ccc(F)cc2)CC1 ZINC000574853469 823844191 /nfs/dbraw/zinc/84/41/91/823844191.db2.gz VBPCYHSABCXNCY-HXUWFJFHSA-N 1 1 380.507 4.276 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1(c2ccc(F)cc2)CC1 ZINC000574853468 823844300 /nfs/dbraw/zinc/84/43/00/823844300.db2.gz VBPCYHSABCXNCY-FQEVSTJZSA-N 1 1 380.507 4.276 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000192059567 823847163 /nfs/dbraw/zinc/84/71/63/823847163.db2.gz PFPOGWLVAZPQSL-UYAOXDASSA-N 1 1 399.878 4.409 20 0 GIADMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192072087 823850695 /nfs/dbraw/zinc/85/06/95/823850695.db2.gz YKCSDKMXYJUAAZ-JKSUJKDBSA-N 1 1 379.932 4.124 20 0 GIADMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192072087 823850704 /nfs/dbraw/zinc/85/07/04/823850704.db2.gz 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CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462181444 823857335 /nfs/dbraw/zinc/85/73/35/823857335.db2.gz PZLFHHXKQIOOID-AWEZNQCLSA-N 1 1 395.425 4.307 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000462182467 823858266 /nfs/dbraw/zinc/85/82/66/823858266.db2.gz OVBRSFJGFDNLRY-JPYJTQIMSA-N 1 1 375.516 4.127 20 0 GIADMO COc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1C(C)C ZINC000462190306 823862055 /nfs/dbraw/zinc/86/20/55/823862055.db2.gz QEZACYZAJLKANM-YLJYHZDGSA-N 1 1 396.531 4.078 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000165838907 823864184 /nfs/dbraw/zinc/86/41/84/823864184.db2.gz GDMPHXVRPLGDCU-IVZQSRNASA-N 1 1 391.425 4.381 20 0 GIADMO CC[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)CC(F)(F)F ZINC000413909998 823864781 /nfs/dbraw/zinc/86/47/81/823864781.db2.gz NNJJVUQOAUSWFG-IXDOHACOSA-N 1 1 377.495 4.261 20 0 GIADMO CCOc1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943593 823867110 /nfs/dbraw/zinc/86/71/10/823867110.db2.gz APHXSYTUODZASB-XMMPIXPASA-N 1 1 380.532 4.192 20 0 GIADMO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000574948765 823868901 /nfs/dbraw/zinc/86/89/01/823868901.db2.gz QOZXQBXEYXVTAN-UHFFFAOYSA-N 1 1 384.442 4.072 20 0 GIADMO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2nnc(-c3ccc(Cl)cc3)o2)cc1F ZINC000192135985 823873762 /nfs/dbraw/zinc/87/37/62/823873762.db2.gz XRQGNVZUTABBDY-SJLPKXTDSA-N 1 1 391.805 4.288 20 0 GIADMO Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735394 823875231 /nfs/dbraw/zinc/87/52/31/823875231.db2.gz SMSGNYNWTJFCQI-QKLQHJQFSA-N 1 1 381.520 4.056 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000064735185 823875390 /nfs/dbraw/zinc/87/53/90/823875390.db2.gz WTJIWOUVQGBLJZ-SELNLUPBSA-N 1 1 396.575 4.392 20 0 GIADMO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000192139731 823876101 /nfs/dbraw/zinc/87/61/01/823876101.db2.gz OVVBSWITWJSVIV-FUHWJXTLSA-N 1 1 391.805 4.288 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccnc1Sc1ccc(C)cc1C ZINC000064736968 823876376 /nfs/dbraw/zinc/87/63/76/823876376.db2.gz SSTRQERZBCPSNH-INIZCTEOSA-N 1 1 394.544 4.421 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000064738691 823876783 /nfs/dbraw/zinc/87/67/83/823876783.db2.gz VLUAMINZUPLLRJ-UHFFFAOYSA-N 1 1 390.531 4.218 20 0 GIADMO COc1ccc(C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)cc1OC ZINC000166469811 823878363 /nfs/dbraw/zinc/87/83/63/823878363.db2.gz ADDXALFKXKPFLU-VSKRKVRLSA-N 1 1 380.532 4.204 20 0 GIADMO COc1ccc(C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)cc1OC ZINC000166469811 823878371 /nfs/dbraw/zinc/87/83/71/823878371.db2.gz ADDXALFKXKPFLU-VSKRKVRLSA-N 1 1 380.532 4.204 20 0 GIADMO COc1ccc([C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C(C)C)c(Br)c1 ZINC000574995010 823882087 /nfs/dbraw/zinc/88/20/87/823882087.db2.gz SLUSAWIBGXJZOI-XIKOKIGWSA-N 1 1 378.314 4.025 20 0 GIADMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000126489846 823882432 /nfs/dbraw/zinc/88/24/32/823882432.db2.gz XXBGRXHSWQMQMC-SFHVURJKSA-N 1 1 390.531 4.318 20 0 GIADMO Cc1nc(C)c([C@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007653 823885797 /nfs/dbraw/zinc/88/57/97/823885797.db2.gz JILZHXVVYKZISQ-UWJYYQICSA-N 1 1 399.604 4.339 20 0 GIADMO Cc1nc(C)c([C@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007653 823885802 /nfs/dbraw/zinc/88/58/02/823885802.db2.gz JILZHXVVYKZISQ-UWJYYQICSA-N 1 1 399.604 4.339 20 0 GIADMO CCC(CC)[N@@H+](CCOC)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000064806278 823888800 /nfs/dbraw/zinc/88/88/00/823888800.db2.gz CXDSDYYWZZTLRC-UHFFFAOYSA-N 1 1 380.838 4.434 20 0 GIADMO CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2noc(C3CC3)n2)CC1)c1ccccc1 ZINC000462237746 823889429 /nfs/dbraw/zinc/88/94/29/823889429.db2.gz OOILPMORAQQBDF-OXJNMPFZSA-N 1 1 396.535 4.173 20 0 GIADMO CCCn1c2ccccc2nc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000575027032 823892631 /nfs/dbraw/zinc/89/26/31/823892631.db2.gz MMUKLQODVQOJEO-RZUBCFFCSA-N 1 1 375.516 4.451 20 0 GIADMO CCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000167677603 823894075 /nfs/dbraw/zinc/89/40/75/823894075.db2.gz ZUKNKMQSQWNKKC-HNNXBMFYSA-N 1 1 379.497 4.177 20 0 GIADMO COc1ccc([C@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)cc1NC(C)=O ZINC000167869570 823896951 /nfs/dbraw/zinc/89/69/51/823896951.db2.gz NVKMLIJZSRAJIO-IRXDYDNUSA-N 1 1 383.536 4.434 20 0 GIADMO COc1cc([C@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc(OC)c1OC ZINC000167856724 823897064 /nfs/dbraw/zinc/89/70/64/823897064.db2.gz NEOPQMHYUHNJEJ-DLBZAZTESA-N 1 1 386.536 4.492 20 0 GIADMO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CCCCC1 ZINC000126552828 823897180 /nfs/dbraw/zinc/89/71/80/823897180.db2.gz GTJHYAGTAUEDKD-GOSISDBHSA-N 1 1 384.524 4.316 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@H]2NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167947960 823898732 /nfs/dbraw/zinc/89/87/32/823898732.db2.gz DQXCTADMHAGRKU-LJQANCHMSA-N 1 1 387.959 4.144 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1csc(-c2ccccc2)n1 ZINC000414064442 823899199 /nfs/dbraw/zinc/89/91/99/823899199.db2.gz FTSHSKDYKCLCSL-MRXNPFEDSA-N 1 1 395.528 4.128 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@H](C)c2cc3n(n2)CCC3)ccc1OCc1ccncc1 ZINC000414075702 823902317 /nfs/dbraw/zinc/90/23/17/823902317.db2.gz PJTLHTTUQINCOB-IAGOWNOFSA-N 1 1 392.503 4.224 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1csc(-c2ccccc2)n1 ZINC000414075519 823902638 /nfs/dbraw/zinc/90/26/38/823902638.db2.gz PBJSLMOAZZILGS-IRXDYDNUSA-N 1 1 394.544 4.281 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC000414085064 823905317 /nfs/dbraw/zinc/90/53/17/823905317.db2.gz XWKFMUSKIAUYFF-QMTHXVAHSA-N 1 1 382.432 4.259 20 0 GIADMO O=C(Nc1cccc(F)c1F)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000168837308 823906870 /nfs/dbraw/zinc/90/68/70/823906870.db2.gz FIKIYZZCJOXXGU-PXNSSMCTSA-N 1 1 385.458 4.483 20 0 GIADMO C[N@@H+](CCNC(=S)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000064895465 823907004 /nfs/dbraw/zinc/90/70/04/823907004.db2.gz QKNOUALIWPLZCV-UHFFFAOYSA-N 1 1 383.439 4.004 20 0 GIADMO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1csc(-c2ccccc2)n1 ZINC000414100418 823909788 /nfs/dbraw/zinc/90/97/88/823909788.db2.gz LHNUYTYAPDJRHA-JSGCOSHPSA-N 1 1 383.439 4.014 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105326 823910914 /nfs/dbraw/zinc/91/09/14/823910914.db2.gz GODCFBPQYHPKEY-DYESRHJHSA-N 1 1 393.556 4.228 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCCc3ccc(O)cc3)c2c1C ZINC000064915037 823911176 /nfs/dbraw/zinc/91/11/76/823911176.db2.gz VHPUVLRODAQKME-UHFFFAOYSA-N 1 1 382.533 4.264 20 0 GIADMO C[C@H](NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106744 823911435 /nfs/dbraw/zinc/91/14/35/823911435.db2.gz RHEAUQABDNPFIK-WMQCIHAUSA-N 1 1 393.556 4.096 20 0 GIADMO C[C@H](NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106744 823911437 /nfs/dbraw/zinc/91/14/37/823911437.db2.gz RHEAUQABDNPFIK-WMQCIHAUSA-N 1 1 393.556 4.096 20 0 GIADMO C[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414109627 823911906 /nfs/dbraw/zinc/91/19/06/823911906.db2.gz HMDMDVOKURQJQY-WZONZLPQSA-N 1 1 393.556 4.098 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097937 823911974 /nfs/dbraw/zinc/91/19/74/823911974.db2.gz UTYFTWSAFCGZDK-RTWAWAEBSA-N 1 1 385.471 4.278 20 0 GIADMO Cc1cnn([C@@H]2CC[N@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097937 823911985 /nfs/dbraw/zinc/91/19/85/823911985.db2.gz UTYFTWSAFCGZDK-RTWAWAEBSA-N 1 1 385.471 4.278 20 0 GIADMO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575103208 823913520 /nfs/dbraw/zinc/91/35/20/823913520.db2.gz IVULZRJHGBZZJZ-NZSAHSFTSA-N 1 1 397.485 4.271 20 0 GIADMO C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000575103349 823913574 /nfs/dbraw/zinc/91/35/74/823913574.db2.gz UKWSHAMONRRKDX-HMXCVIKNSA-N 1 1 384.564 4.046 20 0 GIADMO C[C@@H](c1csc(-c2ccccc2)n1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000414138959 823917407 /nfs/dbraw/zinc/91/74/07/823917407.db2.gz KPPCIFLQZCVKGP-XYJFISCASA-N 1 1 377.513 4.152 20 0 GIADMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1csc2ccccc12 ZINC000064961021 823918703 /nfs/dbraw/zinc/91/87/03/823918703.db2.gz LPWMSUGQXCQVSN-UHFFFAOYSA-N 1 1 389.542 4.206 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000170531850 823920445 /nfs/dbraw/zinc/92/04/45/823920445.db2.gz SSSKUSWKMFDGHE-UHFFFAOYSA-N 1 1 399.538 4.205 20 0 GIADMO C[N@@H+]1CC=C(CNC(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000462312814 823921412 /nfs/dbraw/zinc/92/14/12/823921412.db2.gz DZTLUVOLMFPXGD-SFHVURJKSA-N 1 1 397.485 4.224 20 0 GIADMO C[N@H+]1CC[C@]2(C[C@@H]1c1ccccc1)Nc1ccccc1C(=O)N2Cc1cccnc1 ZINC000414173449 823922715 /nfs/dbraw/zinc/92/27/15/823922715.db2.gz GGXNCHNPSAEBBZ-NOZRDPDXSA-N 1 1 398.510 4.313 20 0 GIADMO Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)c3ccc(F)c4ccccc43)CC2)c1 ZINC000575151867 823924630 /nfs/dbraw/zinc/92/46/30/823924630.db2.gz BWSXAXAETDOYCX-QGZVFWFLSA-N 1 1 392.478 4.275 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651065 823927544 /nfs/dbraw/zinc/92/75/44/823927544.db2.gz LNEDWSZVTAVLKD-MRXNPFEDSA-N 1 1 385.483 4.046 20 0 GIADMO CC[C@@H]1C[N@@H+](CCCc2ccncc2)[C@@H](CC)CN1CCCc1ccncc1 ZINC000462334382 823928452 /nfs/dbraw/zinc/92/84/52/823928452.db2.gz JMDZIVKVOXOSDZ-PSWAGMNNSA-N 1 1 380.580 4.217 20 0 GIADMO CC[C@@H]1CN(CCCc2ccncc2)[C@@H](CC)C[N@@H+]1CCCc1ccncc1 ZINC000462334382 823928458 /nfs/dbraw/zinc/92/84/58/823928458.db2.gz JMDZIVKVOXOSDZ-PSWAGMNNSA-N 1 1 380.580 4.217 20 0 GIADMO CC[C@@H]1CN(CCCc2ccncc2)[C@@H](CC)C[N@H+]1CCCc1ccncc1 ZINC000462334382 823928468 /nfs/dbraw/zinc/92/84/68/823928468.db2.gz JMDZIVKVOXOSDZ-PSWAGMNNSA-N 1 1 380.580 4.217 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)c1 ZINC000414208358 823929206 /nfs/dbraw/zinc/92/92/06/823929206.db2.gz IQUVDAZMRASURV-KRWDZBQOSA-N 1 1 385.863 4.189 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000414208757 823929311 /nfs/dbraw/zinc/92/93/11/823929311.db2.gz JIAOYLVKDODDJC-GOSISDBHSA-N 1 1 397.899 4.276 20 0 GIADMO CC(C)CCc1nc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cs1 ZINC000065041145 823929396 /nfs/dbraw/zinc/92/93/96/823929396.db2.gz JMUZVQCDTAHSDR-UHFFFAOYSA-N 1 1 377.598 4.202 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1c(F)cc(F)cc1Br ZINC000192281673 823932081 /nfs/dbraw/zinc/93/20/81/823932081.db2.gz SOAHFSQTKLPXGM-LBPRGKRZSA-N 1 1 390.272 4.065 20 0 GIADMO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@@H+]1CCCc1ccncc1 ZINC000462343273 823932716 /nfs/dbraw/zinc/93/27/16/823932716.db2.gz VLIXCMJFVCWCTQ-QFIPXVFZSA-N 1 1 394.494 4.029 20 0 GIADMO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CCCc1ccncc1 ZINC000462343273 823932723 /nfs/dbraw/zinc/93/27/23/823932723.db2.gz VLIXCMJFVCWCTQ-QFIPXVFZSA-N 1 1 394.494 4.029 20 0 GIADMO C[C@H](CC(=O)N(C)CCC[N@@H+](C)Cc1ccncc1)c1c[nH]c2ccccc21 ZINC000575187638 823934075 /nfs/dbraw/zinc/93/40/75/823934075.db2.gz VPIKMSBMVIMVEK-GOSISDBHSA-N 1 1 378.520 4.037 20 0 GIADMO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)cc1 ZINC000414233190 823935110 /nfs/dbraw/zinc/93/51/10/823935110.db2.gz DRTOQJYFJJMKRB-ZDUSSCGKSA-N 1 1 380.414 4.126 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccnc(Cl)c1 ZINC000126719325 823935258 /nfs/dbraw/zinc/93/52/58/823935258.db2.gz ZSWHRQJMAMCCBC-HUUCEWRRSA-N 1 1 376.907 4.038 20 0 GIADMO CN1CCO[C@@H]([C@@H]([NH2+]Cc2cnccc2C(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000414235297 823935647 /nfs/dbraw/zinc/93/56/47/823935647.db2.gz UEQKIBCBHUQQHQ-RTWAWAEBSA-N 1 1 387.955 4.194 20 0 GIADMO Cc1[nH]nc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1Br ZINC000065072342 823935988 /nfs/dbraw/zinc/93/59/88/823935988.db2.gz YSNHFIGFRSMNLP-GFCCVEGCSA-N 1 1 391.313 4.107 20 0 GIADMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1F ZINC000126739697 823939174 /nfs/dbraw/zinc/93/91/74/823939174.db2.gz JUUSJRKAIITFQJ-CABCVRRESA-N 1 1 393.503 4.299 20 0 GIADMO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(Br)c1OC ZINC000170688604 823940022 /nfs/dbraw/zinc/94/00/22/823940022.db2.gz MJJJUQHHNQGHQB-INIZCTEOSA-N 1 1 391.309 4.153 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(Br)c1OC ZINC000170688604 823940027 /nfs/dbraw/zinc/94/00/27/823940027.db2.gz MJJJUQHHNQGHQB-INIZCTEOSA-N 1 1 391.309 4.153 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)NC(C)(C)c3ccccc3C)CC2)oc1C ZINC000575226889 823947197 /nfs/dbraw/zinc/94/71/97/823947197.db2.gz INIDMVZPSOXKGP-UHFFFAOYSA-N 1 1 398.551 4.046 20 0 GIADMO CC(C)c1cc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000462373923 823947532 /nfs/dbraw/zinc/94/75/32/823947532.db2.gz ZMXTYNWZEKXDHA-UHFFFAOYSA-N 1 1 386.927 4.419 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192332298 823948946 /nfs/dbraw/zinc/94/89/46/823948946.db2.gz JYMQFCHOUYBOHK-MJGOQNOKSA-N 1 1 381.524 4.086 20 0 GIADMO Cc1cc(C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)ccc1C(F)(F)F ZINC000414278024 823949860 /nfs/dbraw/zinc/94/98/60/823949860.db2.gz HMERSNBLOZQXPS-UHFFFAOYSA-N 1 1 388.315 4.365 20 0 GIADMO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1C ZINC000462379051 823949962 /nfs/dbraw/zinc/94/99/62/823949962.db2.gz HVJCYNVVMVXFLM-MRXNPFEDSA-N 1 1 388.533 4.165 20 0 GIADMO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1C ZINC000462379051 823949971 /nfs/dbraw/zinc/94/99/71/823949971.db2.gz HVJCYNVVMVXFLM-MRXNPFEDSA-N 1 1 388.533 4.165 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000065140600 823950904 /nfs/dbraw/zinc/95/09/04/823950904.db2.gz WYCRHFGLNTXEGN-DNVCBOLYSA-N 1 1 394.906 4.295 20 0 GIADMO O=C(C[N@H+](Cc1ccccc1)CC1CCC1)N(Cc1ccco1)CC(F)(F)F ZINC000065161359 823954485 /nfs/dbraw/zinc/95/44/85/823954485.db2.gz AUSDGPJMTGNZMY-UHFFFAOYSA-N 1 1 394.437 4.473 20 0 GIADMO O=C1CC[C@H](c2cccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)N1 ZINC000414310445 823955704 /nfs/dbraw/zinc/95/57/04/823955704.db2.gz HNEIIPUSLKDSTL-KAOXLYBCSA-N 1 1 375.516 4.245 20 0 GIADMO Cn1c(-c2cccnc2)nn(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1=S ZINC000170727363 823956221 /nfs/dbraw/zinc/95/62/21/823956221.db2.gz ZRTXSGUSNCJFDY-UHFFFAOYSA-N 1 1 383.496 4.169 20 0 GIADMO c1csc(-c2nc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cs2)c1 ZINC000192355373 823957393 /nfs/dbraw/zinc/95/73/93/823957393.db2.gz UIGSZJVIWWRZPZ-IBGZPJMESA-N 1 1 399.585 4.252 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000462404926 823961850 /nfs/dbraw/zinc/96/18/50/823961850.db2.gz ZQHQSYQOUQBUHX-UHFFFAOYSA-N 1 1 391.874 4.025 20 0 GIADMO Fc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)cc1 ZINC000414342630 823961999 /nfs/dbraw/zinc/96/19/99/823961999.db2.gz ITUBULANWGMBDZ-ZQRMPTRQSA-N 1 1 379.523 4.190 20 0 GIADMO C[C@@H]1CCCN(c2cc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)ccn2)C1 ZINC000462406717 823962328 /nfs/dbraw/zinc/96/23/28/823962328.db2.gz IZYCDOROULZKCR-OAHLLOKOSA-N 1 1 386.927 4.285 20 0 GIADMO Cn1ccnc1[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 ZINC000414350200 823962766 /nfs/dbraw/zinc/96/27/66/823962766.db2.gz QEZCVSITVMGJLG-AZUAARDMSA-N 1 1 384.886 4.171 20 0 GIADMO CCCn1c(C)nnc1C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000192373825 823963567 /nfs/dbraw/zinc/96/35/67/823963567.db2.gz FCJZUAZCXZAYSN-GOSISDBHSA-N 1 1 379.346 4.420 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000414357628 823964566 /nfs/dbraw/zinc/96/45/66/823964566.db2.gz DPZZPELYBOHQQC-SFHVURJKSA-N 1 1 394.494 4.325 20 0 GIADMO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000575398950 823967236 /nfs/dbraw/zinc/96/72/36/823967236.db2.gz GRLKSKCOBSXAKU-QAPCUYQASA-N 1 1 379.476 4.022 20 0 GIADMO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000575398950 823967242 /nfs/dbraw/zinc/96/72/42/823967242.db2.gz GRLKSKCOBSXAKU-QAPCUYQASA-N 1 1 379.476 4.022 20 0 GIADMO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c2c1 ZINC000575408920 823967756 /nfs/dbraw/zinc/96/77/56/823967756.db2.gz APIPSBUJOYIASS-BTYIYWSLSA-N 1 1 395.528 4.220 20 0 GIADMO CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575411798 823968307 /nfs/dbraw/zinc/96/83/07/823968307.db2.gz CFLVKGXPRRDDGN-QPPBQGQZSA-N 1 1 396.506 4.108 20 0 GIADMO CC(C)(C)/C=C/C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000126860052 823968415 /nfs/dbraw/zinc/96/84/15/823968415.db2.gz SLMNFDZVVZIZEG-DHZHZOJOSA-N 1 1 379.342 4.132 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000575427671 823969851 /nfs/dbraw/zinc/96/98/51/823969851.db2.gz XSOPYPXUEAOFRB-JKSUJKDBSA-N 1 1 389.927 4.241 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000575427671 823969862 /nfs/dbraw/zinc/96/98/62/823969862.db2.gz XSOPYPXUEAOFRB-JKSUJKDBSA-N 1 1 389.927 4.241 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000126868668 823970414 /nfs/dbraw/zinc/97/04/14/823970414.db2.gz NCDXGDHNDRLDSF-RDJZCZTQSA-N 1 1 381.451 4.024 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)Cc3c[nH]c4cc(Cl)ccc34)cc2)CC1 ZINC000170794075 823973175 /nfs/dbraw/zinc/97/31/75/823973175.db2.gz BJZJRRFGXUQAKI-UHFFFAOYSA-N 1 1 396.922 4.144 20 0 GIADMO CC(C)C[N@H+](Cc1nnc(-c2ccccc2)n1C)[C@H]1CCCc2cccnc21 ZINC000126881902 823973226 /nfs/dbraw/zinc/97/32/26/823973226.db2.gz ULFIALDNQSASSI-FQEVSTJZSA-N 1 1 375.520 4.413 20 0 GIADMO CC(C)C[N@@H+](Cc1nnc(-c2ccccc2)n1C)[C@H]1CCCc2cccnc21 ZINC000126881902 823973234 /nfs/dbraw/zinc/97/32/34/823973234.db2.gz ULFIALDNQSASSI-FQEVSTJZSA-N 1 1 375.520 4.413 20 0 GIADMO COc1ccc(Br)cc1-c1nc(C[N@H+]2CCC[C@@H](OC)C2)cs1 ZINC000170818550 823979223 /nfs/dbraw/zinc/97/92/23/823979223.db2.gz FARPXBJMUQDBHC-CQSZACIVSA-N 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Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1C(=O)NC(C)C ZINC000570981892 823115352 /nfs/dbraw/zinc/11/53/52/823115352.db2.gz ZWMGFEUHHGANJD-LJQANCHMSA-N 1 1 387.911 4.028 20 0 GIADMO Cc1nn2c(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)c(C(C)C)nc2s1 ZINC000570983692 823115613 /nfs/dbraw/zinc/11/56/13/823115613.db2.gz NZMAPVHOYLWVHL-OAQYLSRUSA-N 1 1 382.533 4.192 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000121103999 823119400 /nfs/dbraw/zinc/11/94/00/823119400.db2.gz JIRLCNGQSSGSJP-ZDUSSCGKSA-N 1 1 378.517 4.318 20 0 GIADMO NC(=O)[C@@H]([NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccccc1 ZINC000187707489 823117297 /nfs/dbraw/zinc/11/72/97/823117297.db2.gz YPPVJBBORYKPBP-ROUUACIJSA-N 1 1 391.284 4.246 20 0 GIADMO CCN(C(=O)NC[C@@H]1CCCC1(F)F)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459019573 823117702 /nfs/dbraw/zinc/11/77/02/823117702.db2.gz IMDAARAPGFPFJD-WDSOQIARSA-N 1 1 379.495 4.289 20 0 GIADMO O=C(NC[C@H]1CCCC1(F)F)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459022139 823118061 /nfs/dbraw/zinc/11/80/61/823118061.db2.gz JTBCOLMTLVYODM-LJQANCHMSA-N 1 1 391.506 4.120 20 0 GIADMO Fc1ccc(C[C@H]2CCC[N@@H+]2Cc2nc(COc3ccc(F)cc3)no2)cc1 ZINC000056305020 823124267 /nfs/dbraw/zinc/12/42/67/823124267.db2.gz PCTNSCWAAPXZAN-GOSISDBHSA-N 1 1 385.414 4.134 20 0 GIADMO Fc1ccc(C[C@H]2CCC[N@H+]2Cc2nc(COc3ccc(F)cc3)no2)cc1 ZINC000056305020 823124272 /nfs/dbraw/zinc/12/42/72/823124272.db2.gz PCTNSCWAAPXZAN-GOSISDBHSA-N 1 1 385.414 4.134 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2sccc2Br)CC[N@H+]1Cc1ccccc1 ZINC000176101449 823120808 /nfs/dbraw/zinc/12/08/08/823120808.db2.gz REAKNZJKVVFEEU-DZGCQCFKSA-N 1 1 393.350 4.294 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3cccs3)on2)CC[N@H+]1Cc1ccccc1 ZINC000176103262 823121770 /nfs/dbraw/zinc/12/17/70/823121770.db2.gz XXAPZOLOKVHQBK-WBVHZDCISA-N 1 1 381.501 4.186 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176117595 823126168 /nfs/dbraw/zinc/12/61/68/823126168.db2.gz NOBUOMUDXSGIGG-OXQOHEQNSA-N 1 1 390.449 4.417 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)[C@H](C)C1 ZINC000187769625 823129384 /nfs/dbraw/zinc/12/93/84/823129384.db2.gz GGLAHLYAAVIKFJ-CRAIPNDOSA-N 1 1 398.469 4.097 20 0 GIADMO CCCCc1oc2ccccc2c1CN(C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000121158006 823129574 /nfs/dbraw/zinc/12/95/74/823129574.db2.gz OZWFGJPUKMLYNC-QGZVFWFLSA-N 1 1 383.536 4.401 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+](C)CCc3ccccn3)cs2)cc1OC ZINC000176130814 823131397 /nfs/dbraw/zinc/13/13/97/823131397.db2.gz VSRBMEOAZNOMHU-UHFFFAOYSA-N 1 1 383.517 4.287 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)CCc3ccccn3)cs2)cc1OC ZINC000176130814 823131399 /nfs/dbraw/zinc/13/13/99/823131399.db2.gz VSRBMEOAZNOMHU-UHFFFAOYSA-N 1 1 383.517 4.287 20 0 GIADMO Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121177586 823132909 /nfs/dbraw/zinc/13/29/09/823132909.db2.gz XWWKLVKOEZDYAM-QAPCUYQASA-N 1 1 375.900 4.001 20 0 GIADMO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000571111002 823133620 /nfs/dbraw/zinc/13/36/20/823133620.db2.gz ZGVMRRDMKQOBSO-KRWDZBQOSA-N 1 1 384.854 4.343 20 0 GIADMO CCOc1cc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc(Br)c1O ZINC000571111871 823133949 /nfs/dbraw/zinc/13/39/49/823133949.db2.gz BNDUHTLMAAQARA-RBSFLKMASA-N 1 1 399.373 4.009 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)C[C@H]1C ZINC000571123378 823135785 /nfs/dbraw/zinc/13/57/85/823135785.db2.gz VDRBDXDHLIDJQT-ILXRZTDVSA-N 1 1 387.446 4.353 20 0 GIADMO C[C@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000176147895 823135909 /nfs/dbraw/zinc/13/59/09/823135909.db2.gz QEJCLUCAUMFHQM-KRWDZBQOSA-N 1 1 378.472 4.050 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000571129442 823137436 /nfs/dbraw/zinc/13/74/36/823137436.db2.gz QECJVEAUJVSESG-ADLMAVQZSA-N 1 1 399.343 4.443 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cn1 ZINC000056366452 823137780 /nfs/dbraw/zinc/13/77/80/823137780.db2.gz NRYPBINLMPLHIT-INIZCTEOSA-N 1 1 389.503 4.015 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)C1CC1 ZINC000459173679 823138219 /nfs/dbraw/zinc/13/82/19/823138219.db2.gz ZJAREICITQWUJS-HSZRJFAPSA-N 1 1 377.532 4.370 20 0 GIADMO C[C@@H](O)C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCCC1 ZINC000121222289 823141485 /nfs/dbraw/zinc/14/14/85/823141485.db2.gz GEBLDFBFSYPHGP-CQSZACIVSA-N 1 1 375.538 4.192 20 0 GIADMO C[C@H](O)C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C1CCCCC1 ZINC000121222140 823141550 /nfs/dbraw/zinc/14/15/50/823141550.db2.gz GEBLDFBFSYPHGP-AWEZNQCLSA-N 1 1 375.538 4.192 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc4cccnc4s3)c2)C[C@@H](C)O1 ZINC000571154675 823141919 /nfs/dbraw/zinc/14/19/19/823141919.db2.gz DYARIKSVPJBORL-HUUCEWRRSA-N 1 1 381.501 4.158 20 0 GIADMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187833651 823142556 /nfs/dbraw/zinc/14/25/56/823142556.db2.gz HBPYHTDKZIRXMK-MYUZEXMDSA-N 1 1 381.545 4.047 20 0 GIADMO CC(C)(C)OC(=O)N1CCc2cccc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)c21 ZINC000121229956 823143166 /nfs/dbraw/zinc/14/31/66/823143166.db2.gz JBGCPQAXPYVKPH-QGZVFWFLSA-N 1 1 382.508 4.087 20 0 GIADMO Cc1cc(CCNc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)on1 ZINC000571189811 823146079 /nfs/dbraw/zinc/14/60/79/823146079.db2.gz WTOFIQJCNKHGJC-UHFFFAOYSA-N 1 1 393.516 4.371 20 0 GIADMO C/C=C\c1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc1 ZINC000571192329 823146420 /nfs/dbraw/zinc/14/64/20/823146420.db2.gz UHTWPPHGUZNIOM-PUKNDKIYSA-N 1 1 381.524 4.000 20 0 GIADMO FC(F)(F)Cn1c(=S)n(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nc1-c1ccncc1 ZINC000176200743 823151116 /nfs/dbraw/zinc/15/11/16/823151116.db2.gz HXIZCWPWESXSPO-HUUCEWRRSA-N 1 1 397.470 4.118 20 0 GIADMO CCc1c(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]c(C)c1C(C)=O ZINC000176189179 823148348 /nfs/dbraw/zinc/14/83/48/823148348.db2.gz GEVYRWDDHVBZSO-CYBMUJFWSA-N 1 1 378.476 4.073 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000176189144 823148473 /nfs/dbraw/zinc/14/84/73/823148473.db2.gz FHTHVWCHHRYCFJ-SFHVURJKSA-N 1 1 389.499 4.106 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccccc2)Cc2ccccc2F)C1 ZINC000459246588 823151321 /nfs/dbraw/zinc/15/13/21/823151321.db2.gz CGDXPMVJWPTERB-FQEVSTJZSA-N 1 1 383.511 4.269 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000459234780 823149438 /nfs/dbraw/zinc/14/94/38/823149438.db2.gz PGTJMUSDDQEYOH-UNWVZKJWSA-N 1 1 395.522 4.235 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000459234779 823149482 /nfs/dbraw/zinc/14/94/82/823149482.db2.gz PGTJMUSDDQEYOH-IEIRFRATSA-N 1 1 395.522 4.235 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000459248574 823151401 /nfs/dbraw/zinc/15/14/01/823151401.db2.gz DOQVYKZBBRELCL-HNNXBMFYSA-N 1 1 383.458 4.111 20 0 GIADMO COc1ccc(C[C@H](C)C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000121263758 823150641 /nfs/dbraw/zinc/15/06/41/823150641.db2.gz ULACCCBSZDZCNI-HYVJGQCMSA-N 1 1 378.516 4.017 20 0 GIADMO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176204175 823151946 /nfs/dbraw/zinc/15/19/46/823151946.db2.gz OBLYOODTASUHBL-LJQANCHMSA-N 1 1 397.563 4.261 20 0 GIADMO CC(C)C[N@H+](Cc1nccn1Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC000121278941 823153678 /nfs/dbraw/zinc/15/36/78/823153678.db2.gz DOIRRRBTQHGWCS-JOCHJYFZSA-N 1 1 381.495 4.262 20 0 GIADMO Cc1ccc(CN(Cc2ccco2)C(=O)NCC[C@H]2CCC[N@H+](C)C2)s1 ZINC000459266700 823153962 /nfs/dbraw/zinc/15/39/62/823153962.db2.gz QDELQUQCOMRZSV-QGZVFWFLSA-N 1 1 375.538 4.093 20 0 GIADMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)Nc1ccccc1-c1ccccc1 ZINC000571255457 823156470 /nfs/dbraw/zinc/15/64/70/823156470.db2.gz VCXNJGKGSHOHLO-YMPZKCBVSA-N 1 1 378.516 4.308 20 0 GIADMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccccc1-c1ccccc1 ZINC000571255455 823156502 /nfs/dbraw/zinc/15/65/02/823156502.db2.gz VCXNJGKGSHOHLO-MZYLBHOOSA-N 1 1 378.516 4.308 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(CCc3ccc(-c4ccccc4F)o3)n1)OC2 ZINC000571245003 823154749 /nfs/dbraw/zinc/15/47/49/823154749.db2.gz ITPXWSTXWGHIEE-DENIHFKCSA-N 1 1 397.450 4.180 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc(CCc3ccc(-c4ccccc4F)o3)n1)OC2 ZINC000571245003 823154750 /nfs/dbraw/zinc/15/47/50/823154750.db2.gz ITPXWSTXWGHIEE-DENIHFKCSA-N 1 1 397.450 4.180 20 0 GIADMO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000121293660 823156870 /nfs/dbraw/zinc/15/68/70/823156870.db2.gz KJVRCHAHZIEWRE-QFBILLFUSA-N 1 1 382.017 4.130 20 0 GIADMO CCC[C@@H](NC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1)C1CCCC1 ZINC000459320924 823161142 /nfs/dbraw/zinc/16/11/42/823161142.db2.gz QGXMUVWSIGVKJE-FCHUYYIVSA-N 1 1 386.584 4.436 20 0 GIADMO Clc1c(Br)cccc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000411714198 823599130 /nfs/dbraw/zinc/59/91/30/823599130.db2.gz CZEZOHNFLQQAIV-GFCCVEGCSA-N 1 1 382.689 4.352 20 0 GIADMO CCOCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000056493213 823159419 /nfs/dbraw/zinc/15/94/19/823159419.db2.gz WOUYJTNAENOLAJ-AWEZNQCLSA-N 1 1 387.351 4.309 20 0 GIADMO OCC[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccc1 ZINC000459310263 823159716 /nfs/dbraw/zinc/15/97/16/823159716.db2.gz ZSTLCCOFVQHZMY-UHFFFAOYSA-N 1 1 376.504 4.055 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571279083 823160041 /nfs/dbraw/zinc/16/00/41/823160041.db2.gz XDURUAOOOQFQBQ-ZFWWWQNUSA-N 1 1 393.400 4.043 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(F)c(Cl)c2)[C@@H]1c1cccs1 ZINC000176237887 823160451 /nfs/dbraw/zinc/16/04/51/823160451.db2.gz BOAKLUGBKLZXAP-KBXCAEBGSA-N 1 1 395.931 4.423 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)cc1 ZINC000571301193 823162067 /nfs/dbraw/zinc/16/20/67/823162067.db2.gz ATSQUULUBLPYHK-FPOVZHCZSA-N 1 1 385.552 4.320 20 0 GIADMO CCOCCOc1c(Cl)cccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176253038 823163537 /nfs/dbraw/zinc/16/35/37/823163537.db2.gz ULVSRNDVVJJWAG-INIZCTEOSA-N 1 1 394.943 4.348 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNc1cccc(C[NH+]2CCOCC2)c1 ZINC000459343277 823166167 /nfs/dbraw/zinc/16/61/67/823166167.db2.gz FSPRHAZHNQPCIA-UHFFFAOYSA-N 1 1 382.533 4.026 20 0 GIADMO COCCCOC1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459338473 823164577 /nfs/dbraw/zinc/16/45/77/823164577.db2.gz KLWFYHGQLWKXHF-UHFFFAOYSA-N 1 1 376.722 4.120 20 0 GIADMO O=C1CCCN1c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000571327205 823165888 /nfs/dbraw/zinc/16/58/88/823165888.db2.gz ROVWNYJFVXLOIA-NRFANRHFSA-N 1 1 375.516 4.423 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C(C)C)C2(CO)CCC2)c1 ZINC000459345958 823167030 /nfs/dbraw/zinc/16/70/30/823167030.db2.gz BANSOAGESJBLBO-FQEVSTJZSA-N 1 1 398.551 4.364 20 0 GIADMO O=C(Nc1cccc(N2CCCCC2)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000056554779 823168483 /nfs/dbraw/zinc/16/84/83/823168483.db2.gz WKQACMSVKPUFQK-NRFANRHFSA-N 1 1 378.520 4.073 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360359 823171558 /nfs/dbraw/zinc/17/15/58/823171558.db2.gz FPGHUEFDRQRZKD-HXUWFJFHSA-N 1 1 381.568 4.366 20 0 GIADMO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000571369787 823172933 /nfs/dbraw/zinc/17/29/33/823172933.db2.gz DNYBMPUPMMGWAJ-KAMYIIQDSA-N 1 1 378.385 4.261 20 0 GIADMO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000571369787 823172935 /nfs/dbraw/zinc/17/29/35/823172935.db2.gz DNYBMPUPMMGWAJ-KAMYIIQDSA-N 1 1 378.385 4.261 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)CCc2ccc(O)cc2)cc1 ZINC000121387236 823175480 /nfs/dbraw/zinc/17/54/80/823175480.db2.gz PJNUQSPEHRYFFA-IRXDYDNUSA-N 1 1 392.503 4.268 20 0 GIADMO CCN(Cc1c[nH]c2ccccc12)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000188076941 823182960 /nfs/dbraw/zinc/18/29/60/823182960.db2.gz CBYDTBKPLGRUHD-UHFFFAOYSA-N 1 1 391.519 4.072 20 0 GIADMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1nc(C)c(-c3ccc(Cl)cc3)o1)CC2 ZINC000121430477 823182952 /nfs/dbraw/zinc/18/29/52/823182952.db2.gz UZRXSAXJDHSZLE-QZTJIDSGSA-N 1 1 390.911 4.055 20 0 GIADMO Cc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nc1C ZINC000571403811 823178027 /nfs/dbraw/zinc/17/80/27/823178027.db2.gz PAGZRTDEFMBRDJ-SFHVURJKSA-N 1 1 380.536 4.072 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c(OC)c1 ZINC000121430826 823183077 /nfs/dbraw/zinc/18/30/77/823183077.db2.gz AHDOOPDKFHGNED-HLLBOEOZSA-N 1 1 386.467 4.048 20 0 GIADMO CC(C)n1cnnc1-c1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000176328679 823183193 /nfs/dbraw/zinc/18/31/93/823183193.db2.gz GHPVGOBZBZAZMU-GOSISDBHSA-N 1 1 398.555 4.160 20 0 GIADMO COC(=O)c1cccnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000459387519 823180317 /nfs/dbraw/zinc/18/03/17/823180317.db2.gz ZILDHJJLALDWHP-QGZVFWFLSA-N 1 1 392.503 4.178 20 0 GIADMO COC(=O)c1cccnc1C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000459387519 823180318 /nfs/dbraw/zinc/18/03/18/823180318.db2.gz ZILDHJJLALDWHP-QGZVFWFLSA-N 1 1 392.503 4.178 20 0 GIADMO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459388456 823180600 /nfs/dbraw/zinc/18/06/00/823180600.db2.gz LNLFEIKWFXSXHY-UHFFFAOYSA-N 1 1 377.282 4.039 20 0 GIADMO COc1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1OC(F)F ZINC000459397606 823183296 /nfs/dbraw/zinc/18/32/96/823183296.db2.gz XRTNPHOHWIGVMP-UHFFFAOYSA-N 1 1 388.208 4.055 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)CCCCC2=O ZINC000571427005 823181283 /nfs/dbraw/zinc/18/12/83/823181283.db2.gz GSCKGOYHROSBTG-QGZVFWFLSA-N 1 1 396.556 4.299 20 0 GIADMO c1sc(-c2ncccn2)nc1CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000571446276 823183904 /nfs/dbraw/zinc/18/39/04/823183904.db2.gz ZYVGGGBNXFUXHO-SFHVURJKSA-N 1 1 382.558 4.498 20 0 GIADMO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)cn1 ZINC000459400063 823183896 /nfs/dbraw/zinc/18/38/96/823183896.db2.gz ZGILGPZXDXLXSW-UHFFFAOYSA-N 1 1 376.460 4.230 20 0 GIADMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000121436293 823184109 /nfs/dbraw/zinc/18/41/09/823184109.db2.gz PJWUSAATSDMRTO-DZGCQCFKSA-N 1 1 378.394 4.244 20 0 GIADMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000121436293 823184113 /nfs/dbraw/zinc/18/41/13/823184113.db2.gz PJWUSAATSDMRTO-DZGCQCFKSA-N 1 1 378.394 4.244 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCc4c(cccc4C(C)C)C3)CC2)cs1 ZINC000188114064 823188633 /nfs/dbraw/zinc/18/86/33/823188633.db2.gz ZGWIMWNIIHBWLX-UHFFFAOYSA-N 1 1 397.588 4.372 20 0 GIADMO C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000459402860 823185259 /nfs/dbraw/zinc/18/52/59/823185259.db2.gz NVDMDQIUFYXBEA-RTWAWAEBSA-N 1 1 393.462 4.340 20 0 GIADMO C[C@@H](c1ccc(NC(=O)NC2CCC(C(F)F)CC2)cc1)[NH+]1CCOCC1 ZINC000459409197 823186821 /nfs/dbraw/zinc/18/68/21/823186821.db2.gz MSISGSAGNACKIG-NXVRBGIVSA-N 1 1 381.467 4.025 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000188105301 823187359 /nfs/dbraw/zinc/18/73/59/823187359.db2.gz ZRNNOVFPZUBPSB-SFHVURJKSA-N 1 1 393.531 4.258 20 0 GIADMO CCC1(c2ccccc2)CN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000459422288 823189281 /nfs/dbraw/zinc/18/92/81/823189281.db2.gz ZFHSAAXIQXKAGD-LJQANCHMSA-N 1 1 393.531 4.275 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)[C@@H](C)C1 ZINC000188119829 823189471 /nfs/dbraw/zinc/18/94/71/823189471.db2.gz ZYPVBFSIRHLNAC-RDJZCZTQSA-N 1 1 375.513 4.168 20 0 GIADMO Cc1ccc(-c2nc(C[NH2+]Cc3ccccc3N3CCO[C@H](C)C3)co2)cc1 ZINC000459426259 823190151 /nfs/dbraw/zinc/19/01/51/823190151.db2.gz NPCBCHOWDHJCLE-GOSISDBHSA-N 1 1 377.488 4.165 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)C[C@H](C)O1 ZINC000121483711 823192512 /nfs/dbraw/zinc/19/25/12/823192512.db2.gz DDXZKXMJPHIOQC-STQMWFEESA-N 1 1 394.849 4.480 20 0 GIADMO CC[C@H](CNC(=O)Nc1cccnc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000571480000 823189113 /nfs/dbraw/zinc/18/91/13/823189113.db2.gz XQDKYXFRMWSQJD-MRXNPFEDSA-N 1 1 392.425 4.059 20 0 GIADMO CC[N@H+](C)[C@H](C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1 ZINC000176389767 823196572 /nfs/dbraw/zinc/19/65/72/823196572.db2.gz SMPKWXJZSUOHPJ-IBGZPJMESA-N 1 1 376.460 4.246 20 0 GIADMO CC[N@@H+](C)[C@H](C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1 ZINC000176389767 823196577 /nfs/dbraw/zinc/19/65/77/823196577.db2.gz SMPKWXJZSUOHPJ-IBGZPJMESA-N 1 1 376.460 4.246 20 0 GIADMO Cc1csc(C2(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)CCCC2)n1 ZINC000571533110 823196917 /nfs/dbraw/zinc/19/69/17/823196917.db2.gz DRKWHNJTPFUTRD-MRXNPFEDSA-N 1 1 377.941 4.293 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)[C@H]1SC ZINC000459467505 823198453 /nfs/dbraw/zinc/19/84/53/823198453.db2.gz PXPUNDVPXTUUCL-OYNPSCLESA-N 1 1 381.545 4.161 20 0 GIADMO CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000121534821 823201333 /nfs/dbraw/zinc/20/13/33/823201333.db2.gz ADVRDLCQKITDOY-FXAWDEMLSA-N 1 1 381.520 4.036 20 0 GIADMO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)[C@@H](C)C1 ZINC000459476862 823200589 /nfs/dbraw/zinc/20/05/89/823200589.db2.gz LXTLXDOIWKOCDY-KDURUIRLSA-N 1 1 381.520 4.140 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)oc1C ZINC000056730619 823201888 /nfs/dbraw/zinc/20/18/88/823201888.db2.gz VHUSFGJKTUTWGN-NRFANRHFSA-N 1 1 390.487 4.354 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC000571573005 823202484 /nfs/dbraw/zinc/20/24/84/823202484.db2.gz JWUCQVOKETULGA-YLJYHZDGSA-N 1 1 383.540 4.190 20 0 GIADMO C[C@H]1C[C@@H](CCNC(=O)c2ccoc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000571575363 823202629 /nfs/dbraw/zinc/20/26/29/823202629.db2.gz GJVRIVSIIUCZDG-GOEBONIOSA-N 1 1 380.410 4.329 20 0 GIADMO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1c2ccccc2-c2ccccc21 ZINC000176434418 823206667 /nfs/dbraw/zinc/20/66/67/823206667.db2.gz USDNZUFCBMFGIH-HNNXBMFYSA-N 1 1 388.433 4.489 20 0 GIADMO C[C@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000571589469 823204342 /nfs/dbraw/zinc/20/43/42/823204342.db2.gz JANPMKGLCBSILX-ROUUACIJSA-N 1 1 377.532 4.102 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)C2(c3cccnc3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000571598402 823205408 /nfs/dbraw/zinc/20/54/08/823205408.db2.gz VEKDMZWCJAZWBB-DENIHFKCSA-N 1 1 377.532 4.063 20 0 GIADMO COc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571604797 823207057 /nfs/dbraw/zinc/20/70/57/823207057.db2.gz ZXFQRIDLJXXQBG-QMHKHESXSA-N 1 1 391.471 4.276 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459508108 823207093 /nfs/dbraw/zinc/20/70/93/823207093.db2.gz APNXDWHQJXRVLS-QGZVFWFLSA-N 1 1 396.556 4.300 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1cccc(-c2nccs2)c1 ZINC000056777788 823212075 /nfs/dbraw/zinc/21/20/75/823212075.db2.gz XXLKHAKNCNYDOA-UHFFFAOYSA-N 1 1 392.528 4.380 20 0 GIADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459509725 823207758 /nfs/dbraw/zinc/20/77/58/823207758.db2.gz LFYRSUXXHGMVCD-TYOLEZHBSA-N 1 1 394.559 4.056 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000056762150 823208398 /nfs/dbraw/zinc/20/83/98/823208398.db2.gz HEDWCCZUESIYMQ-JOCHJYFZSA-N 1 1 397.494 4.069 20 0 GIADMO CCCN(Cc1ccccc1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056762708 823208797 /nfs/dbraw/zinc/20/87/97/823208797.db2.gz YILJOTDVIZJVMI-UHFFFAOYSA-N 1 1 381.520 4.005 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)CC3CCCCCC3)CC2)cs1 ZINC000176449732 823210017 /nfs/dbraw/zinc/21/00/17/823210017.db2.gz REVZWAYXDPWJSF-UHFFFAOYSA-N 1 1 377.598 4.394 20 0 GIADMO COCCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000571623514 823210933 /nfs/dbraw/zinc/21/09/33/823210933.db2.gz BKYZZFINPNIGCJ-XLIONFOSSA-N 1 1 383.488 4.054 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3cnn(-c4ccc(C)cc4C)c3)CC2)[nH+]c1 ZINC000188267248 823211560 /nfs/dbraw/zinc/21/15/60/823211560.db2.gz CKYSDYFKBVSMGC-UHFFFAOYSA-N 1 1 389.503 4.048 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000176467590 823213975 /nfs/dbraw/zinc/21/39/75/823213975.db2.gz LQIDZUNDOJXAOD-MSOLQXFVSA-N 1 1 382.504 4.432 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000459546497 823217219 /nfs/dbraw/zinc/21/72/19/823217219.db2.gz QXFMEOJKNYTPOH-QFIPXVFZSA-N 1 1 381.545 4.108 20 0 GIADMO O=C(Nc1ccc(-c2nncs2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000459547814 823217520 /nfs/dbraw/zinc/21/75/20/823217520.db2.gz WZVDIZFQGBLXOF-UHFFFAOYSA-N 1 1 399.564 4.325 20 0 GIADMO CC[C@@H](CC1CCCC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000571679378 823217788 /nfs/dbraw/zinc/21/77/88/823217788.db2.gz GQXVEYNYPCGWGC-SFHVURJKSA-N 1 1 386.584 4.189 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000459566100 823221696 /nfs/dbraw/zinc/22/16/96/823221696.db2.gz HBPUGRLCLPZGMH-QHCPKHFHSA-N 1 1 399.556 4.071 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000459566100 823221700 /nfs/dbraw/zinc/22/17/00/823221700.db2.gz HBPUGRLCLPZGMH-QHCPKHFHSA-N 1 1 399.556 4.071 20 0 GIADMO Cc1ccccc1C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000571704784 823222039 /nfs/dbraw/zinc/22/20/39/823222039.db2.gz DHESORNLXJQBMC-GOSISDBHSA-N 1 1 396.441 4.361 20 0 GIADMO CC(C)Oc1ccc(-c2nc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cs2)cc1 ZINC000409453274 823222254 /nfs/dbraw/zinc/22/22/54/823222254.db2.gz SGAJFSJCPJAEQX-SFHVURJKSA-N 1 1 399.516 4.223 20 0 GIADMO CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000056849174 823223708 /nfs/dbraw/zinc/22/37/08/823223708.db2.gz XFPQROYFOPPDKE-GOSISDBHSA-N 1 1 375.557 4.297 20 0 GIADMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000459575968 823223840 /nfs/dbraw/zinc/22/38/40/823223840.db2.gz CYODXAAINUXXJF-UHFFFAOYSA-N 1 1 376.504 4.331 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CC2)cc1F ZINC000409458257 823223964 /nfs/dbraw/zinc/22/39/64/823223964.db2.gz SFQJBNOMJGLLQL-UHFFFAOYSA-N 1 1 383.854 4.321 20 0 GIADMO CC1(C)Cc2ccsc2C[N@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000459578675 823224102 /nfs/dbraw/zinc/22/41/02/823224102.db2.gz IRDCXCNNHFJOPJ-UHFFFAOYSA-N 1 1 398.572 4.093 20 0 GIADMO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459576856 823224226 /nfs/dbraw/zinc/22/42/26/823224226.db2.gz LIIZQBZFLVDICH-BZKUKECFSA-N 1 1 393.527 4.141 20 0 GIADMO O=C(N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1(C(F)F)CCCC1 ZINC000571718982 823224225 /nfs/dbraw/zinc/22/42/25/823224225.db2.gz NDRIELYHVNDOEJ-RBUKOAKNSA-N 1 1 376.491 4.325 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2cccc(C)c2)cc1F ZINC000409459508 823224380 /nfs/dbraw/zinc/22/43/80/823224380.db2.gz NRWJXTIHVRKAEV-UHFFFAOYSA-N 1 1 383.492 4.178 20 0 GIADMO OCC1([C@H]([NH2+]Cc2cccc(O)c2Br)c2ccccc2)CCC1 ZINC000459580552 823224693 /nfs/dbraw/zinc/22/46/93/823224693.db2.gz BHFUACQNDXCBAR-GOSISDBHSA-N 1 1 376.294 4.148 20 0 GIADMO CCSc1cccc(Br)c1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000571724887 823225615 /nfs/dbraw/zinc/22/56/15/823225615.db2.gz RKYXFBMFIDELQA-RYUDHWBXSA-N 1 1 386.359 4.117 20 0 GIADMO C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H](O)Cc1ccccc1 ZINC000459594328 823226799 /nfs/dbraw/zinc/22/67/99/823226799.db2.gz RTBBWIPETJSSQX-JOCHJYFZSA-N 1 1 390.531 4.096 20 0 GIADMO Cc1cc(NC(=O)c2ccsc2C)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000571749708 823229663 /nfs/dbraw/zinc/22/96/63/823229663.db2.gz TWCBUSIRMSSQGI-GOSISDBHSA-N 1 1 380.517 4.261 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000188378564 823229812 /nfs/dbraw/zinc/22/98/12/823229812.db2.gz YKTVDWVYMISVLS-QGZVFWFLSA-N 1 1 382.470 4.122 20 0 GIADMO CCc1nnc(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)cc2)o1 ZINC000176532079 823230611 /nfs/dbraw/zinc/23/06/11/823230611.db2.gz SPKGLKMNNWFBNK-HXUWFJFHSA-N 1 1 390.487 4.292 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cs1)c1ccc(C)c(C)c1 ZINC000571755914 823230655 /nfs/dbraw/zinc/23/06/55/823230655.db2.gz JIIXREDTZAJUCT-WOJBJXKFSA-N 1 1 385.533 4.102 20 0 GIADMO CC[C@@H](c1nnc(SCCCSC)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000176534247 823231281 /nfs/dbraw/zinc/23/12/81/823231281.db2.gz LJXFBILWZZTWKS-INIZCTEOSA-N 1 1 380.583 4.134 20 0 GIADMO CC1(CO)C[NH+](Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC000459623387 823231325 /nfs/dbraw/zinc/23/13/25/823231325.db2.gz RTOCKJUJJGLCNP-UHFFFAOYSA-N 1 1 379.287 4.060 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1 ZINC000176522907 823228672 /nfs/dbraw/zinc/22/86/72/823228672.db2.gz UPSGAECPDPABAJ-WBVHZDCISA-N 1 1 387.549 4.048 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000176542449 823233315 /nfs/dbraw/zinc/23/33/15/823233315.db2.gz GGQDVMBQCFQBFI-QGZVFWFLSA-N 1 1 386.565 4.066 20 0 GIADMO Fc1ccc(-n2nccc2C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459646085 823237370 /nfs/dbraw/zinc/23/73/70/823237370.db2.gz HWKVEKLMLWLDDL-SFHVURJKSA-N 1 1 397.416 4.192 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459640681 823235661 /nfs/dbraw/zinc/23/56/61/823235661.db2.gz XGAOTWRAQFRTRD-NWDGAFQWSA-N 1 1 393.940 4.280 20 0 GIADMO O=C(N[C@@H](C1CC1)C(F)(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000571835585 823242322 /nfs/dbraw/zinc/24/23/22/823242322.db2.gz BCFRJUJXIRDKFQ-AZUAARDMSA-N 1 1 395.469 4.025 20 0 GIADMO O=C(NCc1ccsc1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992462 823238528 /nfs/dbraw/zinc/23/85/28/823238528.db2.gz SLENIGDJURIWRP-UHFFFAOYSA-N 1 1 397.466 4.231 20 0 GIADMO FC(F)(F)c1cncc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459658068 823242405 /nfs/dbraw/zinc/24/24/05/823242405.db2.gz IUBDLSLTDDNDST-CQSZACIVSA-N 1 1 382.348 4.281 20 0 GIADMO FC(F)(F)c1cncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459658068 823242406 /nfs/dbraw/zinc/24/24/06/823242406.db2.gz IUBDLSLTDDNDST-CQSZACIVSA-N 1 1 382.348 4.281 20 0 GIADMO Clc1ccc(-c2nc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)cs2)cc1 ZINC000571828239 823240654 /nfs/dbraw/zinc/24/06/54/823240654.db2.gz KWMQCQCDXMVMOD-GOSISDBHSA-N 1 1 378.925 4.233 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000176582591 823241665 /nfs/dbraw/zinc/24/16/65/823241665.db2.gz GBZZBEYZKUEQHY-CJNGLKHVSA-N 1 1 378.303 4.171 20 0 GIADMO COC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000571837147 823242099 /nfs/dbraw/zinc/24/20/99/823242099.db2.gz BJLDIZYUGUQNKH-DJJJIMSYSA-N 1 1 396.865 4.115 20 0 GIADMO COc1ccc(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1SC ZINC000459659887 823243291 /nfs/dbraw/zinc/24/32/91/823243291.db2.gz NCVQMTWFHIXSJR-UHFFFAOYSA-N 1 1 385.533 4.075 20 0 GIADMO Cc1noc(-c2ccc(C)c(NC(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)c2)n1 ZINC000571842548 823243628 /nfs/dbraw/zinc/24/36/28/823243628.db2.gz MJKJORKVMJCOKD-IBGZPJMESA-N 1 1 397.523 4.272 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(-c3ccccn3)cc2)[C@H](C)C1 ZINC000571844178 823244097 /nfs/dbraw/zinc/24/40/97/823244097.db2.gz DZINQDHYDXEWHB-NQIIRXRSSA-N 1 1 396.535 4.007 20 0 GIADMO O=c1[nH]c(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)nc2cc(Cl)ccc12 ZINC000571845792 823244407 /nfs/dbraw/zinc/24/44/07/823244407.db2.gz WDRDDBJKEJCUQF-HXUWFJFHSA-N 1 1 395.890 4.173 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663213 823244663 /nfs/dbraw/zinc/24/46/63/823244663.db2.gz OJHUJIWURJWKTE-QGZVFWFLSA-N 1 1 380.410 4.121 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)C1 ZINC000188465632 823244786 /nfs/dbraw/zinc/24/47/86/823244786.db2.gz WKXXSEMWUZNIAB-INIZCTEOSA-N 1 1 388.943 4.063 20 0 GIADMO CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121765479 823245969 /nfs/dbraw/zinc/24/59/69/823245969.db2.gz HQGNVZUMTMXGCO-MJGOQNOKSA-N 1 1 394.519 4.295 20 0 GIADMO CCC(=O)c1ccc(OCCCCC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000409544707 823246817 /nfs/dbraw/zinc/24/68/17/823246817.db2.gz TTZMLKJIGMFBLX-QUCCMNQESA-N 1 1 388.552 4.160 20 0 GIADMO CCCCn1nc(C)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1Cl ZINC000121768963 823246919 /nfs/dbraw/zinc/24/69/19/823246919.db2.gz OBVQDEUMRTXYFD-INIZCTEOSA-N 1 1 386.931 4.067 20 0 GIADMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1C(F)(F)F ZINC000121776028 823247974 /nfs/dbraw/zinc/24/79/74/823247974.db2.gz PGFUCGUOHXQOTI-CQSZACIVSA-N 1 1 378.373 4.267 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)c2cccc3ccccc32)cn1 ZINC000057128443 823252420 /nfs/dbraw/zinc/25/24/20/823252420.db2.gz XIVFODDIEVTOIA-INIZCTEOSA-N 1 1 385.471 4.289 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)C2(Cc3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000188494628 823250570 /nfs/dbraw/zinc/25/05/70/823250570.db2.gz WKCLDUPQLLJYTG-NQIIRXRSSA-N 1 1 380.507 4.318 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](c2ccccc2)C2CCCC2)cn1 ZINC000057118193 823250623 /nfs/dbraw/zinc/25/06/23/823250623.db2.gz JQNIKSNSEFEPQP-JOCHJYFZSA-N 1 1 389.503 4.306 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NC2CC(c3ccc(C)cc3)C2)CC1 ZINC000188503546 823252191 /nfs/dbraw/zinc/25/21/91/823252191.db2.gz KKOJSGCJNAOCPA-UHFFFAOYSA-N 1 1 377.532 4.017 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)Nc1cc(Cl)ccc1F ZINC000121797260 823253374 /nfs/dbraw/zinc/25/33/74/823253374.db2.gz YIPFKJBUBJZYAZ-CRAIPNDOSA-N 1 1 394.874 4.379 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1)Nc1cc(Cl)ccc1F ZINC000121797260 823253379 /nfs/dbraw/zinc/25/33/79/823253379.db2.gz YIPFKJBUBJZYAZ-CRAIPNDOSA-N 1 1 394.874 4.379 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(F)c(Cl)c3)c2)CCO1 ZINC000409596872 823257678 /nfs/dbraw/zinc/25/76/78/823257678.db2.gz KFKPFZAWURJLCL-CQSZACIVSA-N 1 1 391.874 4.022 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(F)c(Cl)c3)c2)CCO1 ZINC000409596872 823257683 /nfs/dbraw/zinc/25/76/83/823257683.db2.gz KFKPFZAWURJLCL-CQSZACIVSA-N 1 1 391.874 4.022 20 0 GIADMO CSc1cccc(F)c1C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000409583970 823254728 /nfs/dbraw/zinc/25/47/28/823254728.db2.gz HZSOOCLEFZDHBP-LJQANCHMSA-N 1 1 386.536 4.360 20 0 GIADMO O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057152393 823255891 /nfs/dbraw/zinc/25/58/91/823255891.db2.gz IXLQDKCPCPVPEN-KRWDZBQOSA-N 1 1 378.501 4.056 20 0 GIADMO CCc1nc([C@H](C)NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000176654835 823258553 /nfs/dbraw/zinc/25/85/53/823258553.db2.gz LLFZDGVXWSDZIP-IRXDYDNUSA-N 1 1 386.565 4.073 20 0 GIADMO O=C(CCc1cscn1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000176669167 823263013 /nfs/dbraw/zinc/26/30/13/823263013.db2.gz RVYWDNVDHYNCRX-UHFFFAOYSA-N 1 1 383.561 4.123 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000409601629 823258963 /nfs/dbraw/zinc/25/89/63/823258963.db2.gz RBGXSUDMLPOQIV-UHFFFAOYSA-N 1 1 395.547 4.212 20 0 GIADMO C[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)c1ccn(C)n1 ZINC000459749259 823260103 /nfs/dbraw/zinc/26/01/03/823260103.db2.gz KJDXZDVWASHXGE-LLVKDONJSA-N 1 1 377.311 4.157 20 0 GIADMO CCC[C@]1(CO)CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000571957767 823260255 /nfs/dbraw/zinc/26/02/55/823260255.db2.gz SPINIFZNEMCMCC-SFHVURJKSA-N 1 1 379.298 4.089 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cnc(-c2ccccc2)nc1 ZINC000571959616 823260590 /nfs/dbraw/zinc/26/05/90/823260590.db2.gz ANPJDTOWTYQVLN-QHCPKHFHSA-N 1 1 387.531 4.025 20 0 GIADMO C[N@@H+](CCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)Cc1ccccc1 ZINC000003044544 817414207 /nfs/dbraw/zinc/41/42/07/817414207.db2.gz FUWLPBLPQPQGMA-UHFFFAOYSA-N 1 1 396.494 4.159 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)cs1 ZINC000459761925 823261659 /nfs/dbraw/zinc/26/16/59/823261659.db2.gz NHQNANOAUZWCLQ-PMACEKPBSA-N 1 1 399.560 4.437 20 0 GIADMO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000409616001 823262599 /nfs/dbraw/zinc/26/25/99/823262599.db2.gz BTIIPGUXFSRXOB-IEBWSBKVSA-N 1 1 379.495 4.118 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@H]1C1CCCC1 ZINC000459771283 823262731 /nfs/dbraw/zinc/26/27/31/823262731.db2.gz SYLBQSPKVCOBLC-PKOBYXMFSA-N 1 1 389.337 4.370 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459774929 823263596 /nfs/dbraw/zinc/26/35/96/823263596.db2.gz WSPHRBYWIYOPMR-INIZCTEOSA-N 1 1 394.494 4.130 20 0 GIADMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000459783836 823264792 /nfs/dbraw/zinc/26/47/92/823264792.db2.gz VZOLFYBBFXZBGP-APWZRJJASA-N 1 1 399.560 4.449 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459787751 823265049 /nfs/dbraw/zinc/26/50/49/823265049.db2.gz CVVDDMOEUPZRHR-HZPDHXFCSA-N 1 1 376.541 4.048 20 0 GIADMO COc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459788096 823265271 /nfs/dbraw/zinc/26/52/71/823265271.db2.gz XZZCNZXFGQXEIL-WMZOPIPTSA-N 1 1 399.560 4.449 20 0 GIADMO CC(C)c1csc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000121888059 823270667 /nfs/dbraw/zinc/27/06/67/823270667.db2.gz RJRJEGQCZNZGEZ-KRWDZBQOSA-N 1 1 392.613 4.453 20 0 GIADMO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000572023636 823270766 /nfs/dbraw/zinc/27/07/66/823270766.db2.gz VOTMXNSCNQHVPT-GFCCVEGCSA-N 1 1 393.318 4.355 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)cc2)CC1 ZINC000057250086 823270858 /nfs/dbraw/zinc/27/08/58/823270858.db2.gz HAVPIAPQSMTROT-RBUKOAKNSA-N 1 1 397.485 4.131 20 0 GIADMO C[NH+](C)[C@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1 ZINC000409643307 823271274 /nfs/dbraw/zinc/27/12/74/823271274.db2.gz BGJABAQIMIXTMS-AEFFLSMTSA-N 1 1 378.900 4.435 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000572038666 823272721 /nfs/dbraw/zinc/27/27/21/823272721.db2.gz KUFXZTORCNZHGY-QFIPXVFZSA-N 1 1 384.882 4.454 20 0 GIADMO Clc1cc(Br)cnc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409665860 823278056 /nfs/dbraw/zinc/27/80/56/823278056.db2.gz BAJKYYDJMFLIPU-LBPRGKRZSA-N 1 1 395.732 4.414 20 0 GIADMO CCCOc1ccccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000409670413 823279309 /nfs/dbraw/zinc/27/93/09/823279309.db2.gz WUPWLYMWVRBPFZ-GOSISDBHSA-N 1 1 397.519 4.018 20 0 GIADMO CCCOc1ccccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000409670413 823279316 /nfs/dbraw/zinc/27/93/16/823279316.db2.gz WUPWLYMWVRBPFZ-GOSISDBHSA-N 1 1 397.519 4.018 20 0 GIADMO COc1cccc2c1ncc(C)c2N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409656104 823275552 /nfs/dbraw/zinc/27/55/52/823275552.db2.gz LRJSXZQSDBKIBI-KRWDZBQOSA-N 1 1 376.504 4.469 20 0 GIADMO Cc1cc(Br)cnc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409658343 823275852 /nfs/dbraw/zinc/27/58/52/823275852.db2.gz FRXQNCRXTUHJKZ-AWEZNQCLSA-N 1 1 375.314 4.069 20 0 GIADMO c1[nH+]c([C@H]2CCCN(c3ncnc4sc5c(c43)CCC5)C2)n2c1CCCC2 ZINC000409658876 823276156 /nfs/dbraw/zinc/27/61/56/823276156.db2.gz VRDKWSINFZVOTR-AWEZNQCLSA-N 1 1 379.533 4.097 20 0 GIADMO CN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057286470 823276197 /nfs/dbraw/zinc/27/61/97/823276197.db2.gz OHAHMNWAABATBM-UHFFFAOYSA-N 1 1 380.536 4.188 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000460023447 823280250 /nfs/dbraw/zinc/28/02/50/823280250.db2.gz PKYZVJMHUDQQLA-DABQJJPHSA-N 1 1 381.398 4.342 20 0 GIADMO Cc1cc(C)n([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2-n2cc[nH+]c2C)n1 ZINC000460026252 823280893 /nfs/dbraw/zinc/28/08/93/823280893.db2.gz RKHWYLLDVZCMSI-CYBMUJFWSA-N 1 1 391.397 4.213 20 0 GIADMO CCCc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cc[nH+]c2C)co1 ZINC000460029314 823281147 /nfs/dbraw/zinc/28/11/47/823281147.db2.gz URUZMCWZGIBWAX-UHFFFAOYSA-N 1 1 378.354 4.392 20 0 GIADMO COc1ccc2ccc(O)c(C[N@@H+](C)CC(=O)Nc3ccccc3Cl)c2c1 ZINC000007092437 817757685 /nfs/dbraw/zinc/75/76/85/817757685.db2.gz YQNCFMGZLCZJBX-UHFFFAOYSA-N 1 1 384.863 4.278 20 0 GIADMO FC(F)COc1cnccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000572120322 823286390 /nfs/dbraw/zinc/28/63/90/823286390.db2.gz QRRZEVOGRCPMEH-LJQANCHMSA-N 1 1 387.474 4.012 20 0 GIADMO FC(F)COc1cnccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000572120322 823286395 /nfs/dbraw/zinc/28/63/95/823286395.db2.gz QRRZEVOGRCPMEH-LJQANCHMSA-N 1 1 387.474 4.012 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC(=O)N(C)[C@@H](C)c3ccccc3)C2)s1 ZINC000572124691 823286673 /nfs/dbraw/zinc/28/66/73/823286673.db2.gz ASYMGJPCCGXXDV-PMACEKPBSA-N 1 1 399.604 4.030 20 0 GIADMO C[NH+](C)[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000572131656 823287960 /nfs/dbraw/zinc/28/79/60/823287960.db2.gz JZAMLWHAIDUXES-HXUWFJFHSA-N 1 1 399.922 4.208 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000460133422 823291604 /nfs/dbraw/zinc/29/16/04/823291604.db2.gz JJMDGLOOHSYQEN-RXVVDRJESA-N 1 1 397.567 4.249 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(-c4ccc(OC(F)F)cc4)s3)C2)C1 ZINC000572141595 823289353 /nfs/dbraw/zinc/28/93/53/823289353.db2.gz QIWCEHNHHAYXJI-HXUWFJFHSA-N 1 1 392.471 4.184 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000409724898 823291607 /nfs/dbraw/zinc/29/16/07/823291607.db2.gz ZPVOVUHFATWQSX-JOCHJYFZSA-N 1 1 384.495 4.271 20 0 GIADMO O=C(c1ccc(Cl)nc1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000121995009 823290239 /nfs/dbraw/zinc/29/02/39/823290239.db2.gz ONUADFMJRQCTIK-UHFFFAOYSA-N 1 1 397.828 4.102 20 0 GIADMO CCOc1cc(NC(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000460127632 823290352 /nfs/dbraw/zinc/29/03/52/823290352.db2.gz NFDKQBAMGOTUFG-FQEVSTJZSA-N 1 1 397.519 4.222 20 0 GIADMO CCc1nc(CCNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sc1C ZINC000121996853 823290569 /nfs/dbraw/zinc/29/05/69/823290569.db2.gz BNSFUYKQZFMTDY-CQSZACIVSA-N 1 1 397.548 4.111 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000007360363 817823772 /nfs/dbraw/zinc/82/37/72/817823772.db2.gz AIIHSGODXYBIIV-UHFFFAOYSA-N 1 1 391.437 4.376 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000007360363 817823779 /nfs/dbraw/zinc/82/37/79/817823779.db2.gz AIIHSGODXYBIIV-UHFFFAOYSA-N 1 1 391.437 4.376 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3c(Br)ccc(F)c23)C1 ZINC000409730004 823292484 /nfs/dbraw/zinc/29/24/84/823292484.db2.gz FURKJFCGCWMERA-SWLSCSKDSA-N 1 1 378.289 4.057 20 0 GIADMO CCN(C(=O)Nc1cccc(OC(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460136300 823292910 /nfs/dbraw/zinc/29/29/10/823292910.db2.gz XZAKYLYNMGCJCC-SFHVURJKSA-N 1 1 389.446 4.416 20 0 GIADMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc4occc4c3)CC2)cc1 ZINC000572166678 823293432 /nfs/dbraw/zinc/29/34/32/823293432.db2.gz QODSIUOIGNVSEF-UHFFFAOYSA-N 1 1 392.499 4.109 20 0 GIADMO CCCC[C@@H](C)N(C)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000460137623 823293588 /nfs/dbraw/zinc/29/35/88/823293588.db2.gz SPVQWFQYFCSUIA-QRVBRYPASA-N 1 1 375.557 4.016 20 0 GIADMO CCCC[C@@H](C)N(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000460137623 823293590 /nfs/dbraw/zinc/29/35/90/823293590.db2.gz SPVQWFQYFCSUIA-QRVBRYPASA-N 1 1 375.557 4.016 20 0 GIADMO COc1cc(C[N@H+]2CCCN(c3ccccc3F)CC2)c(SC)cc1OC ZINC000572171190 823294263 /nfs/dbraw/zinc/29/42/63/823294263.db2.gz HDJANXCYOQMLAG-UHFFFAOYSA-N 1 1 390.524 4.277 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[N@H+]1CCc2ccccc2C1 ZINC000460139905 823294486 /nfs/dbraw/zinc/29/44/86/823294486.db2.gz SAXMWKPNTDILKG-LZQZEXGQSA-N 1 1 397.485 4.196 20 0 GIADMO CN(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460140152 823294639 /nfs/dbraw/zinc/29/46/39/823294639.db2.gz REUDDAFTZHZRGO-GBESFXJTSA-N 1 1 397.485 4.414 20 0 GIADMO CC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000460140615 823294853 /nfs/dbraw/zinc/29/48/53/823294853.db2.gz BOWDDGKXJAMYSU-ZRBLBEILSA-N 1 1 377.532 4.301 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1cccnc1Cl)c1cc(F)c(Cl)cc1Cl ZINC000007607131 817878765 /nfs/dbraw/zinc/87/87/65/817878765.db2.gz YETCSEZCFMFXDN-QMMMGPOBSA-N 1 1 376.646 4.470 20 0 GIADMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000007687060 817895654 /nfs/dbraw/zinc/89/56/54/817895654.db2.gz YEPXMGFGLCMHRB-UHFFFAOYSA-N 1 1 391.309 4.227 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000007687060 817895659 /nfs/dbraw/zinc/89/56/59/817895659.db2.gz YEPXMGFGLCMHRB-UHFFFAOYSA-N 1 1 391.309 4.227 20 0 GIADMO Cc1cc(F)cc2c1CN(C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000409744173 823297177 /nfs/dbraw/zinc/29/71/77/823297177.db2.gz YQBKSEQGCDQBNV-NQIIRXRSSA-N 1 1 395.522 4.112 20 0 GIADMO Clc1cnn([C@@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)c1 ZINC000572207829 823300414 /nfs/dbraw/zinc/30/04/14/823300414.db2.gz OJXLTCDYSHSYIF-CQSZACIVSA-N 1 1 391.700 4.294 20 0 GIADMO Clc1cnn([C@@H]2CC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)c1 ZINC000572207829 823300422 /nfs/dbraw/zinc/30/04/22/823300422.db2.gz OJXLTCDYSHSYIF-CQSZACIVSA-N 1 1 391.700 4.294 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)C1 ZINC000176823628 823302592 /nfs/dbraw/zinc/30/25/92/823302592.db2.gz QFUUGWRJGSMXIV-HXUWFJFHSA-N 1 1 395.547 4.482 20 0 GIADMO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000007916120 817957392 /nfs/dbraw/zinc/95/73/92/817957392.db2.gz AGYULFOANXKTPC-ZDUSSCGKSA-N 1 1 395.728 4.412 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000007916120 817957396 /nfs/dbraw/zinc/95/73/96/817957396.db2.gz AGYULFOANXKTPC-ZDUSSCGKSA-N 1 1 395.728 4.412 20 0 GIADMO Cc1cccnc1[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000176810672 823298802 /nfs/dbraw/zinc/29/88/02/823298802.db2.gz ADSDZTANRXONBE-FGZHOGPDSA-N 1 1 394.563 4.251 20 0 GIADMO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000572202355 823299154 /nfs/dbraw/zinc/29/91/54/823299154.db2.gz MGQFCLDOGSUKMM-IQGLISFBSA-N 1 1 398.355 4.347 20 0 GIADMO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000572202355 823299160 /nfs/dbraw/zinc/29/91/60/823299160.db2.gz MGQFCLDOGSUKMM-IQGLISFBSA-N 1 1 398.355 4.347 20 0 GIADMO CCC1(CNC(=O)C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CCCC1 ZINC000122083178 823303443 /nfs/dbraw/zinc/30/34/43/823303443.db2.gz YZTUXDMLCCRULH-UHFFFAOYSA-N 1 1 396.535 4.080 20 0 GIADMO CCc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)n2)cc1 ZINC000008004397 817979367 /nfs/dbraw/zinc/97/93/67/817979367.db2.gz WOMDZCWMNQTYBN-UHFFFAOYSA-N 1 1 390.487 4.150 20 0 GIADMO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000572205544 823300212 /nfs/dbraw/zinc/30/02/12/823300212.db2.gz NZFKBMWMHCCMKM-HZPDHXFCSA-N 1 1 375.476 4.209 20 0 GIADMO C[C@H](c1nn(CN(C)[C@@H](C)C2(C)CC2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000176829252 823303876 /nfs/dbraw/zinc/30/38/76/823303876.db2.gz STNAAMIHZFSDPT-CABCVRRESA-N 1 1 391.560 4.243 20 0 GIADMO C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)cn1 ZINC000188781651 823304394 /nfs/dbraw/zinc/30/43/94/823304394.db2.gz VXTUTXZQJBGGRK-HNNXBMFYSA-N 1 1 385.537 4.047 20 0 GIADMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1Br ZINC000008120769 818003425 /nfs/dbraw/zinc/00/34/25/818003425.db2.gz AYUXPBSCOOUATL-UHFFFAOYSA-N 1 1 397.700 4.052 20 0 GIADMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1Br ZINC000008120769 818003431 /nfs/dbraw/zinc/00/34/31/818003431.db2.gz AYUXPBSCOOUATL-UHFFFAOYSA-N 1 1 397.700 4.052 20 0 GIADMO Cc1cccc(NC(=O)C[N@H+](C)CCOc2ccc(Br)cc2)c1C ZINC000008153583 818008178 /nfs/dbraw/zinc/00/81/78/818008178.db2.gz MPBFZRZZAFDSQI-UHFFFAOYSA-N 1 1 391.309 4.015 20 0 GIADMO Cc1cccc(NC(=O)C[N@@H+](C)CCOc2ccc(Br)cc2)c1C ZINC000008153583 818008185 /nfs/dbraw/zinc/00/81/85/818008185.db2.gz MPBFZRZZAFDSQI-UHFFFAOYSA-N 1 1 391.309 4.015 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(Cl)c(F)c3)c2)CCO1 ZINC000409777145 823304941 /nfs/dbraw/zinc/30/49/41/823304941.db2.gz YEHCZWKACBUYJW-CQSZACIVSA-N 1 1 391.874 4.022 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(Cl)c(F)c3)c2)CCO1 ZINC000409777145 823304948 /nfs/dbraw/zinc/30/49/48/823304948.db2.gz YEHCZWKACBUYJW-CQSZACIVSA-N 1 1 391.874 4.022 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCCc3occc3C2)C1 ZINC000460172396 823305157 /nfs/dbraw/zinc/30/51/57/823305157.db2.gz XZAQYGOJCSMIQK-SFHVURJKSA-N 1 1 381.520 4.170 20 0 GIADMO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000008241009 818022137 /nfs/dbraw/zinc/02/21/37/818022137.db2.gz LSAAVJBUOLALMN-VXGBXAGGSA-N 1 1 397.263 4.255 20 0 GIADMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008249185 818022720 /nfs/dbraw/zinc/02/27/20/818022720.db2.gz YNMGINOCDXXDBA-WMZOPIPTSA-N 1 1 379.529 4.181 20 0 GIADMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(OCc3cccnc3)c(Cl)c1)CC2 ZINC000572247786 823307212 /nfs/dbraw/zinc/30/72/12/823307212.db2.gz NKSOVOOGWQHVCO-INIZCTEOSA-N 1 1 396.878 4.020 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000188800433 823308241 /nfs/dbraw/zinc/30/82/41/823308241.db2.gz YRHGSIKKTSNPKC-IHWFROFDSA-N 1 1 381.520 4.107 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NCc3ccc(C)cc3OC(C)(C)C)CC2)[nH+]c1 ZINC000176849752 823309434 /nfs/dbraw/zinc/30/94/34/823309434.db2.gz OLIOMOILUYLHDG-UHFFFAOYSA-N 1 1 395.547 4.409 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000572267949 823310309 /nfs/dbraw/zinc/31/03/09/823310309.db2.gz TUFBSTQQSRVZHR-KDOFPFPSSA-N 1 1 396.457 4.287 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000122126235 823310373 /nfs/dbraw/zinc/31/03/73/823310373.db2.gz CCCKTAFPHHYISZ-AZUAARDMSA-N 1 1 382.508 4.088 20 0 GIADMO Cc1c(-c2ccccc2)sc2ncn(Cc3cn4cccc(C)c4[nH+]3)c(=O)c12 ZINC000011395689 818078661 /nfs/dbraw/zinc/07/86/61/818078661.db2.gz CMOYDYKYFBEABS-UHFFFAOYSA-N 1 1 386.480 4.438 20 0 GIADMO CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460188745 823310610 /nfs/dbraw/zinc/31/06/10/823310610.db2.gz XIBJDOGSGOGPNJ-YLJYHZDGSA-N 1 1 379.508 4.047 20 0 GIADMO Cc1cccc(OCC[N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000011474345 818085130 /nfs/dbraw/zinc/08/51/30/818085130.db2.gz UUQUQSQOJOCMMU-HSZRJFAPSA-N 1 1 394.540 4.273 20 0 GIADMO Cc1cccc(OCC[N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000011474345 818085133 /nfs/dbraw/zinc/08/51/33/818085133.db2.gz UUQUQSQOJOCMMU-HSZRJFAPSA-N 1 1 394.540 4.273 20 0 GIADMO Cc1ccc(-c2cnc(C[N@H+]3CC[C@@](CO)(Cc4ccc(F)cc4)C3)o2)cc1 ZINC000572280539 823312622 /nfs/dbraw/zinc/31/26/22/823312622.db2.gz WYTLEELEFCYWTF-HSZRJFAPSA-N 1 1 380.463 4.216 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC[C@H]21 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YXWAOYVBSHMBTO-QGZVFWFLSA-N 1 1 392.499 4.166 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)CC(=O)N[C@H](C)c3ccccc3OC)ccc2c1 ZINC000015370523 818318469 /nfs/dbraw/zinc/31/84/69/818318469.db2.gz YXWAOYVBSHMBTO-QGZVFWFLSA-N 1 1 392.499 4.166 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015507827 818332076 /nfs/dbraw/zinc/33/20/76/818332076.db2.gz DCZFSPVGUGJFRO-HNNXBMFYSA-N 1 1 385.895 4.018 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000015509408 818332240 /nfs/dbraw/zinc/33/22/40/818332240.db2.gz CIMPJUNRTLCKFM-VXGBXAGGSA-N 1 1 380.847 4.174 20 0 GIADMO Cc1c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1-c1ccccn1 ZINC000122262492 823329307 /nfs/dbraw/zinc/32/93/07/823329307.db2.gz CRBHYBWBAHJJGQ-JOCHJYFZSA-N 1 1 399.538 4.351 20 0 GIADMO Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000122262171 823329380 /nfs/dbraw/zinc/32/93/80/823329380.db2.gz YLMCRTUYURQZGI-UHFFFAOYSA-N 1 1 391.471 4.418 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2nnc3ccccn32)cc1OCc1ccccc1 ZINC000015593863 818343945 /nfs/dbraw/zinc/34/39/45/818343945.db2.gz CCQFOWDRQIRBAT-KRWDZBQOSA-N 1 1 388.471 4.168 20 0 GIADMO O=C(NC1CC(c2ccccc2)C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460246840 823329888 /nfs/dbraw/zinc/32/98/88/823329888.db2.gz KXZJCPBYTMDCGM-IIQVAULWSA-N 1 1 389.543 4.096 20 0 GIADMO c1nc(C2CC2)c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000572382858 823330433 /nfs/dbraw/zinc/33/04/33/823330433.db2.gz JLMKJECXUBOFAC-HXUWFJFHSA-N 1 1 397.588 4.039 20 0 GIADMO c1nc(C2CC2)c(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000572382858 823330441 /nfs/dbraw/zinc/33/04/41/823330441.db2.gz JLMKJECXUBOFAC-HXUWFJFHSA-N 1 1 397.588 4.039 20 0 GIADMO COCCOc1cccc(CC(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)c1 ZINC000122270742 823330683 /nfs/dbraw/zinc/33/06/83/823330683.db2.gz JXRIQMXDNYSSDS-UHFFFAOYSA-N 1 1 396.531 4.255 20 0 GIADMO CC[C@H](C)c1nnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1CC ZINC000460253469 823331607 /nfs/dbraw/zinc/33/16/07/823331607.db2.gz SPRMAQNIZXXFJQ-WMZHIEFXSA-N 1 1 381.568 4.304 20 0 GIADMO C[C@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988804 818382156 /nfs/dbraw/zinc/38/21/56/818382156.db2.gz JRYQESMJPLRRAV-MAUKXSAKSA-N 1 1 376.884 4.044 20 0 GIADMO CCCc1occc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409879076 823334201 /nfs/dbraw/zinc/33/42/01/823334201.db2.gz ISEJDKWVSQZLRE-LIRRHRJNSA-N 1 1 378.875 4.447 20 0 GIADMO CCCc1occc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409879076 823334204 /nfs/dbraw/zinc/33/42/04/823334204.db2.gz ISEJDKWVSQZLRE-LIRRHRJNSA-N 1 1 378.875 4.447 20 0 GIADMO O=C([C@@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1)N1CCCC1 ZINC000572409716 823334642 /nfs/dbraw/zinc/33/46/42/823334642.db2.gz ZNUIZCQMGGPMEB-OAHLLOKOSA-N 1 1 381.501 4.001 20 0 GIADMO CSc1cccc(F)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000409882906 823335367 /nfs/dbraw/zinc/33/53/67/823335367.db2.gz DRLUVOSEGLRUMG-MAUKXSAKSA-N 1 1 378.900 4.376 20 0 GIADMO CSc1cccc(F)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000409882906 823335373 /nfs/dbraw/zinc/33/53/73/823335373.db2.gz DRLUVOSEGLRUMG-MAUKXSAKSA-N 1 1 378.900 4.376 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000460267988 823335528 /nfs/dbraw/zinc/33/55/28/823335528.db2.gz NWNPUQVPGVSFAO-NFBKMPQASA-N 1 1 395.547 4.010 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000016352373 818427824 /nfs/dbraw/zinc/42/78/24/818427824.db2.gz ACONAJZQAPYDDN-QFIPXVFZSA-N 1 1 396.531 4.278 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000016352373 818427826 /nfs/dbraw/zinc/42/78/26/818427826.db2.gz ACONAJZQAPYDDN-QFIPXVFZSA-N 1 1 396.531 4.278 20 0 GIADMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000016373142 818429815 /nfs/dbraw/zinc/42/98/15/818429815.db2.gz OAEQUIPTYMYZGQ-UHFFFAOYSA-N 1 1 398.837 4.411 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000016373142 818429820 /nfs/dbraw/zinc/42/98/20/818429820.db2.gz OAEQUIPTYMYZGQ-UHFFFAOYSA-N 1 1 398.837 4.411 20 0 GIADMO Cc1ccccc1C[N@@H+](C)CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000016374634 818429895 /nfs/dbraw/zinc/42/98/95/818429895.db2.gz DVCHPSQWDGVCFP-DEOSSOPVSA-N 1 1 396.531 4.102 20 0 GIADMO Cc1ccccc1C[N@H+](C)CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000016374634 818429898 /nfs/dbraw/zinc/42/98/98/818429898.db2.gz DVCHPSQWDGVCFP-DEOSSOPVSA-N 1 1 396.531 4.102 20 0 GIADMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2)ccc1OC(F)F ZINC000016377894 818431679 /nfs/dbraw/zinc/43/16/79/818431679.db2.gz QUIOOWRKNYIZOA-CQSZACIVSA-N 1 1 378.419 4.064 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2)ccc1OC(F)F ZINC000016377894 818431684 /nfs/dbraw/zinc/43/16/84/818431684.db2.gz QUIOOWRKNYIZOA-CQSZACIVSA-N 1 1 378.419 4.064 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000122309563 823336169 /nfs/dbraw/zinc/33/61/69/823336169.db2.gz 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CC(C)n1cnc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000409905244 823340927 /nfs/dbraw/zinc/34/09/27/823340927.db2.gz VTWYJDFOQLAVLU-MJGOQNOKSA-N 1 1 392.906 4.210 20 0 GIADMO CC(C)n1cnc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000409905244 823340937 /nfs/dbraw/zinc/34/09/37/823340937.db2.gz VTWYJDFOQLAVLU-MJGOQNOKSA-N 1 1 392.906 4.210 20 0 GIADMO CC[NH+](CC)Cc1ccc(CNCc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189008801 823341389 /nfs/dbraw/zinc/34/13/89/823341389.db2.gz OERMNMORFPBJER-UHFFFAOYSA-N 1 1 380.511 4.202 20 0 GIADMO CC[NH+](CC)Cc1ccccc1CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189008987 823341822 /nfs/dbraw/zinc/34/18/22/823341822.db2.gz GWELVIHWWLCBQC-UHFFFAOYSA-N 1 1 380.511 4.202 20 0 GIADMO Cc1c(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1CCC(C)C ZINC000122359071 823343701 /nfs/dbraw/zinc/34/37/01/823343701.db2.gz YGQAMJFENWYZBM-HDICACEKSA-N 1 1 398.551 4.099 20 0 GIADMO Cc1c(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1CCC(C)C ZINC000122359071 823343706 /nfs/dbraw/zinc/34/37/06/823343706.db2.gz YGQAMJFENWYZBM-HDICACEKSA-N 1 1 398.551 4.099 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000057889606 823345362 /nfs/dbraw/zinc/34/53/62/823345362.db2.gz LYCBQVIUGNFMEF-MRXNPFEDSA-N 1 1 387.474 4.196 20 0 GIADMO CCn1c(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nnc1C(C)(C)C ZINC000460301073 823345385 /nfs/dbraw/zinc/34/53/85/823345385.db2.gz PVYMIGKFVZHXDM-QHCPKHFHSA-N 1 1 381.568 4.088 20 0 GIADMO CO[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000460312666 823349534 /nfs/dbraw/zinc/34/95/34/823349534.db2.gz NZNVMBVWZYVWAP-FPOVZHCZSA-N 1 1 386.923 4.056 20 0 GIADMO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177013387 823349585 /nfs/dbraw/zinc/34/95/85/823349585.db2.gz DBGMRXBCBRLCMG-SFHVURJKSA-N 1 1 386.536 4.164 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000019540066 818593855 /nfs/dbraw/zinc/59/38/55/818593855.db2.gz MICCFNKMAMBLHZ-ZDUSSCGKSA-N 1 1 398.359 4.200 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000177022379 823351564 /nfs/dbraw/zinc/35/15/64/823351564.db2.gz PWKBYRIHIFLMMV-DYESRHJHSA-N 1 1 394.519 4.210 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cc(Br)c(F)cc1F ZINC000189077216 823353081 /nfs/dbraw/zinc/35/30/81/823353081.db2.gz MXQBCIZFYLWRBU-NSHDSACASA-N 1 1 390.272 4.065 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NCc3ccc(C)cc3OCC3CC3)CC2)[nH+]c1 ZINC000122433561 823353548 /nfs/dbraw/zinc/35/35/48/823353548.db2.gz FEQSIJPUSNZIJI-UHFFFAOYSA-N 1 1 393.531 4.020 20 0 GIADMO CC(C)[N@@H+]1CCc2nc(NC(=O)C(C)(C)COCc3ccccc3)sc2C1 ZINC000409957583 823353945 /nfs/dbraw/zinc/35/39/45/823353945.db2.gz LKZXBEFPFLWLBX-UHFFFAOYSA-N 1 1 387.549 4.091 20 0 GIADMO CC(C)[N@H+]1CCc2nc(NC(=O)C(C)(C)COCc3ccccc3)sc2C1 ZINC000409957583 823353951 /nfs/dbraw/zinc/35/39/51/823353951.db2.gz LKZXBEFPFLWLBX-UHFFFAOYSA-N 1 1 387.549 4.091 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]2CC2CCCCC2)cn1 ZINC000057993385 823353986 /nfs/dbraw/zinc/35/39/86/823353986.db2.gz BUKPMUYPOZGHQN-HXUWFJFHSA-N 1 1 381.524 4.220 20 0 GIADMO Cc1c2cc(Cl)ccc2oc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000021058634 818650657 /nfs/dbraw/zinc/65/06/57/818650657.db2.gz JTTPCBXBWBSZRY-STQMWFEESA-N 1 1 378.900 4.012 20 0 GIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000021057043 818650844 /nfs/dbraw/zinc/65/08/44/818650844.db2.gz RDGIZVRJFDOZPF-BGYRXZFFSA-N 1 1 394.559 4.213 20 0 GIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000021057043 818650850 /nfs/dbraw/zinc/65/08/50/818650850.db2.gz RDGIZVRJFDOZPF-BGYRXZFFSA-N 1 1 394.559 4.213 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC000122437813 823354156 /nfs/dbraw/zinc/35/41/56/823354156.db2.gz VKDGMDFRTDTVBX-LRQRDZAKSA-N 1 1 398.551 4.382 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)Cc3csc(-c4cccc(C)c4)n3)sc2C1 ZINC000021295726 818672645 /nfs/dbraw/zinc/67/26/45/818672645.db2.gz RDQNRCJBIFBXEV-UHFFFAOYSA-N 1 1 398.557 4.134 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)Cc3csc(-c4cccc(C)c4)n3)sc2C1 ZINC000021295726 818672652 /nfs/dbraw/zinc/67/26/52/818672652.db2.gz RDQNRCJBIFBXEV-UHFFFAOYSA-N 1 1 398.557 4.134 20 0 GIADMO O=C(COc1ccsc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000409946836 823350602 /nfs/dbraw/zinc/35/06/02/823350602.db2.gz MOQZWTSKIIJTBT-UHFFFAOYSA-N 1 1 399.343 4.215 20 0 GIADMO COc1cc(F)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1OC ZINC000572531592 823355685 /nfs/dbraw/zinc/35/56/85/823355685.db2.gz AJMRTXSSMSBZCI-IHWFROFDSA-N 1 1 384.495 4.128 20 0 GIADMO Cc1sc(NC(=O)CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1C ZINC000460351167 823361021 /nfs/dbraw/zinc/36/10/21/823361021.db2.gz SFTDPVXRWALGQN-BRLLKYFNSA-N 1 1 399.604 4.358 20 0 GIADMO Fc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000189096869 823357001 /nfs/dbraw/zinc/35/70/01/823357001.db2.gz JOMUDBQYXKYAOT-CQSZACIVSA-N 1 1 378.407 4.397 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)c1 ZINC000058048147 823357462 /nfs/dbraw/zinc/35/74/62/823357462.db2.gz ASMYLVAHSWQACV-OAHLLOKOSA-N 1 1 387.911 4.111 20 0 GIADMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000177043077 823357969 /nfs/dbraw/zinc/35/79/69/823357969.db2.gz TVNYGRVAKDNOOW-HXUWFJFHSA-N 1 1 387.487 4.486 20 0 GIADMO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)Cc1ccc(Br)cc1 ZINC000021671539 818723002 /nfs/dbraw/zinc/72/30/02/818723002.db2.gz WITRPKUFAQNKIY-CYBMUJFWSA-N 1 1 395.728 4.239 20 0 GIADMO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000021671539 818723006 /nfs/dbraw/zinc/72/30/06/818723006.db2.gz WITRPKUFAQNKIY-CYBMUJFWSA-N 1 1 395.728 4.239 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(Cc3ncc(-c4ccccc4Br)o3)C2)C1 ZINC000572546010 823358726 /nfs/dbraw/zinc/35/87/26/823358726.db2.gz HXYIZUMWSXJIMP-IBGZPJMESA-N 1 1 390.325 4.022 20 0 GIADMO O=C(NCc1c[nH+]c2n1CCCC2)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000572549223 823358944 /nfs/dbraw/zinc/35/89/44/823358944.db2.gz MJBAXXFEAXZTAE-UHFFFAOYSA-N 1 1 389.286 4.451 20 0 GIADMO Cc1csc(C2([NH2+][C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CCC2)n1 ZINC000460343537 823359349 /nfs/dbraw/zinc/35/93/49/823359349.db2.gz OHKQCMMYMWQQBF-GFCCVEGCSA-N 1 1 399.438 4.346 20 0 GIADMO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)cc1 ZINC000122475631 823359794 /nfs/dbraw/zinc/35/97/94/823359794.db2.gz BRVXFHFPDBZGEZ-ZIAGYGMSSA-N 1 1 380.485 4.008 20 0 GIADMO Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)cc1 ZINC000189125408 823360838 /nfs/dbraw/zinc/36/08/38/823360838.db2.gz QVBZTRLNTKABTE-IRXDYDNUSA-N 1 1 377.492 4.307 20 0 GIADMO Cc1cccc(N2CCC(Oc3ccccc3I)CC2)[nH+]1 ZINC000572570396 823363195 /nfs/dbraw/zinc/36/31/95/823363195.db2.gz KMGKULZWYSHVSQ-UHFFFAOYSA-N 1 1 394.256 4.042 20 0 GIADMO Clc1ccc(-c2noc(CN3CCC[N@@H+](Cc4ccccc4)CC3)n2)cc1 ZINC000022806549 818863214 /nfs/dbraw/zinc/86/32/14/818863214.db2.gz IXSZRJXUIWITAC-UHFFFAOYSA-N 1 1 382.895 4.098 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000177092268 823369197 /nfs/dbraw/zinc/36/91/97/823369197.db2.gz LQGGRRQSKDCZFE-DYESRHJHSA-N 1 1 389.503 4.251 20 0 GIADMO Cc1cccc(NC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000022833539 818865524 /nfs/dbraw/zinc/86/55/24/818865524.db2.gz LMUGEWGWDWYQTF-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO Cc1cccc(NC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000022833539 818865527 /nfs/dbraw/zinc/86/55/27/818865527.db2.gz LMUGEWGWDWYQTF-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(CN2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000022836171 818866070 /nfs/dbraw/zinc/86/60/70/818866070.db2.gz AUVYDOYRGLZAOU-UHFFFAOYSA-N 1 1 391.540 4.318 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000022873495 818869166 /nfs/dbraw/zinc/86/91/66/818869166.db2.gz OHDIJLKLWOAJNY-UHFFFAOYSA-N 1 1 385.511 4.353 20 0 GIADMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000023075458 818895795 /nfs/dbraw/zinc/89/57/95/818895795.db2.gz UZRKVXVCJYLKDB-CYBMUJFWSA-N 1 1 384.373 4.034 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000023075458 818895806 /nfs/dbraw/zinc/89/58/06/818895806.db2.gz UZRKVXVCJYLKDB-CYBMUJFWSA-N 1 1 384.373 4.034 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 ZINC000023103633 818897825 /nfs/dbraw/zinc/89/78/25/818897825.db2.gz XVTSEBWKDUFOIF-UHFFFAOYSA-N 1 1 391.487 4.111 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)CCSc2ccnc3cc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000177102882 823371824 /nfs/dbraw/zinc/37/18/24/823371824.db2.gz RTJDIUUJEWKQMF-HIFRSBDPSA-N 1 1 389.952 4.112 20 0 GIADMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1N1CCCC1 ZINC000177104256 823372195 /nfs/dbraw/zinc/37/21/95/823372195.db2.gz YZOAAUFGMJKXPA-IBGZPJMESA-N 1 1 378.520 4.025 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1N1CCCC1 ZINC000177104256 823372201 /nfs/dbraw/zinc/37/22/01/823372201.db2.gz YZOAAUFGMJKXPA-IBGZPJMESA-N 1 1 378.520 4.025 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023480195 818945217 /nfs/dbraw/zinc/94/52/17/818945217.db2.gz MUFUOTNAHSYGGI-NRFANRHFSA-N 1 1 394.950 4.257 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023480195 818945224 /nfs/dbraw/zinc/94/52/24/818945224.db2.gz MUFUOTNAHSYGGI-NRFANRHFSA-N 1 1 394.950 4.257 20 0 GIADMO Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cs1 ZINC000189205468 823375440 /nfs/dbraw/zinc/37/54/40/823375440.db2.gz UVDHAHYBHQRKAX-FQEVSTJZSA-N 1 1 399.560 4.024 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000058296218 823375710 /nfs/dbraw/zinc/37/57/10/823375710.db2.gz CJNWJWXOGBRDFV-QGZVFWFLSA-N 1 1 399.560 4.242 20 0 GIADMO Cc1csc(SCc2ccccc2C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000058299281 823376150 /nfs/dbraw/zinc/37/61/50/823376150.db2.gz JGHIKRUNIMXLKZ-ROUUACIJSA-N 1 1 387.574 4.100 20 0 GIADMO O=C(Nc1ccc(Br)c(F)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000460406699 823378730 /nfs/dbraw/zinc/37/87/30/823378730.db2.gz SKJZPEQYORUESD-QGZVFWFLSA-N 1 1 377.257 4.191 20 0 GIADMO O=C1CC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000023846561 818986125 /nfs/dbraw/zinc/98/61/25/818986125.db2.gz XVLRLHLNNASFBS-INIZCTEOSA-N 1 1 397.544 4.143 20 0 GIADMO O=C1CC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000023846561 818986132 /nfs/dbraw/zinc/98/61/32/818986132.db2.gz XVLRLHLNNASFBS-INIZCTEOSA-N 1 1 397.544 4.143 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)CC3(c4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000189219623 823377903 /nfs/dbraw/zinc/37/79/03/823377903.db2.gz AOCJUXGSRCATDO-WOJBJXKFSA-N 1 1 392.543 4.100 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(-c3nnc(C)o3)c2)cc1)C1CC1 ZINC000460405318 823378311 /nfs/dbraw/zinc/37/83/11/823378311.db2.gz PCPJVQUVXMNQRZ-UHFFFAOYSA-N 1 1 376.460 4.282 20 0 GIADMO COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1OC(F)F ZINC000572671141 823379429 /nfs/dbraw/zinc/37/94/29/823379429.db2.gz ROXPQGCJGQDXPQ-APWZRJJASA-N 1 1 390.474 4.297 20 0 GIADMO COc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1OC(F)F ZINC000572671141 823379435 /nfs/dbraw/zinc/37/94/35/823379435.db2.gz ROXPQGCJGQDXPQ-APWZRJJASA-N 1 1 390.474 4.297 20 0 GIADMO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1OC(F)F ZINC000572671141 823379441 /nfs/dbraw/zinc/37/94/41/823379441.db2.gz ROXPQGCJGQDXPQ-APWZRJJASA-N 1 1 390.474 4.297 20 0 GIADMO O=C(CCc1ccoc1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000177136814 823379898 /nfs/dbraw/zinc/37/98/98/823379898.db2.gz AQKIHYDPWWAXCO-FQEVSTJZSA-N 1 1 380.513 4.190 20 0 GIADMO O=C(CCc1ccoc1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000177136814 823379902 /nfs/dbraw/zinc/37/99/02/823379902.db2.gz AQKIHYDPWWAXCO-FQEVSTJZSA-N 1 1 380.513 4.190 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1C ZINC000410050991 823380087 /nfs/dbraw/zinc/38/00/87/823380087.db2.gz VPIJENFAEBPCOX-HXUWFJFHSA-N 1 1 395.547 4.037 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(F)cc1OCCC(F)(F)F 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CYTJCZBRQNXFNB-HXUWFJFHSA-N 1 1 396.560 4.350 20 0 GIADMO Cc1nc2cc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H](C)C3)ccc2o1 ZINC000572695602 823384579 /nfs/dbraw/zinc/38/45/79/823384579.db2.gz ZZGHUQSUEYATGD-INIZCTEOSA-N 1 1 378.476 4.122 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3CC(C)(c4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000410077379 823385166 /nfs/dbraw/zinc/38/51/66/823385166.db2.gz LCROAKWOPWQEHQ-SCMGLGEZSA-N 1 1 392.543 4.146 20 0 GIADMO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000177163900 823387909 /nfs/dbraw/zinc/38/79/09/823387909.db2.gz WKOWRWXJOSFVNW-UHFFFAOYSA-N 1 1 383.458 4.280 20 0 GIADMO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000177163900 823387916 /nfs/dbraw/zinc/38/79/16/823387916.db2.gz WKOWRWXJOSFVNW-UHFFFAOYSA-N 1 1 383.458 4.280 20 0 GIADMO Ic1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000177167925 823389254 /nfs/dbraw/zinc/38/92/54/823389254.db2.gz MNWUIIGKXHDITQ-UHFFFAOYSA-N 1 1 384.286 4.307 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000177165282 823388496 /nfs/dbraw/zinc/38/84/96/823388496.db2.gz CEUMAIVSHHMZSH-IBGZPJMESA-N 1 1 399.560 4.264 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)Sc2ccc(Br)cc2)CC[N@H+]1C ZINC000122673911 823391993 /nfs/dbraw/zinc/39/19/93/823391993.db2.gz BAEWZARZXMDHBS-DZGCQCFKSA-N 1 1 399.398 4.261 20 0 GIADMO O=C(NCC1CCC(F)(F)CC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000410106087 823393243 /nfs/dbraw/zinc/39/32/43/823393243.db2.gz FVLXNTUHWUQHCY-INIZCTEOSA-N 1 1 385.524 4.085 20 0 GIADMO COc1cccc([C@@H](C)CC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000177182248 823393343 /nfs/dbraw/zinc/39/33/43/823393343.db2.gz LXLATTSFTXIOMS-HNNXBMFYSA-N 1 1 381.451 4.138 20 0 GIADMO CN(C(=O)Nc1ccsc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000189300223 823390047 /nfs/dbraw/zinc/39/00/47/823390047.db2.gz LSFWEZALVMRCBX-IRXDYDNUSA-N 1 1 399.004 4.202 20 0 GIADMO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000177171192 823390070 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20 0 GIADMO Cc1ccccc1Cc1nnc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)o1 ZINC000122687219 823394967 /nfs/dbraw/zinc/39/49/67/823394967.db2.gz ANGSNEWMDPEAHY-SFHVURJKSA-N 1 1 388.471 4.490 20 0 GIADMO Cc1ccccc1Cc1nnc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)o1 ZINC000122687219 823394971 /nfs/dbraw/zinc/39/49/71/823394971.db2.gz ANGSNEWMDPEAHY-SFHVURJKSA-N 1 1 388.471 4.490 20 0 GIADMO COc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000058522396 823403508 /nfs/dbraw/zinc/40/35/08/823403508.db2.gz KJHCONXCRNGVEZ-QGZVFWFLSA-N 1 1 397.519 4.400 20 0 GIADMO CC(C)[C@H]([NH2+]CCOc1cc(F)cc(Br)c1)c1nc(C2CC2)no1 ZINC000189351212 823399427 /nfs/dbraw/zinc/39/94/27/823399427.db2.gz PYPBFBZIGKZEPJ-HNNXBMFYSA-N 1 1 398.276 4.214 20 0 GIADMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)ccc1SC ZINC000058528256 823404080 /nfs/dbraw/zinc/40/40/80/823404080.db2.gz MCCGBBMQGLTBDV-LJQANCHMSA-N 1 1 389.561 4.214 20 0 GIADMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410146721 823401294 /nfs/dbraw/zinc/40/12/94/823401294.db2.gz BQQPFSKLVDBLKO-BEFAXECRSA-N 1 1 391.437 4.340 20 0 GIADMO C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000572801271 823401547 /nfs/dbraw/zinc/40/15/47/823401547.db2.gz FFAOFJCEDYMWOA-ACWOFJMJSA-N 1 1 395.425 4.360 20 0 GIADMO C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000572801271 823401552 /nfs/dbraw/zinc/40/15/52/823401552.db2.gz FFAOFJCEDYMWOA-ACWOFJMJSA-N 1 1 395.425 4.360 20 0 GIADMO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1F ZINC000460476757 823402234 /nfs/dbraw/zinc/40/22/34/823402234.db2.gz QFTHNRHDJHVVRF-WDSOQIARSA-N 1 1 399.485 4.189 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc(N(C)C)cc1 ZINC000058520893 823403276 /nfs/dbraw/zinc/40/32/76/823403276.db2.gz GNECDMVSMFGQDE-GOSISDBHSA-N 1 1 380.536 4.449 20 0 GIADMO CC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000058522258 823403405 /nfs/dbraw/zinc/40/34/05/823403405.db2.gz RLCNTOXQPKMYRX-QGZVFWFLSA-N 1 1 379.504 4.443 20 0 GIADMO COc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(OC)c1 ZINC000058522782 823403458 /nfs/dbraw/zinc/40/34/58/823403458.db2.gz XQLDIBBQRLOHTC-QGZVFWFLSA-N 1 1 397.519 4.400 20 0 GIADMO Cc1cccc2c1OCC[C@H]2[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000189378851 823404286 /nfs/dbraw/zinc/40/42/86/823404286.db2.gz QAVIFSFGTAMVIJ-QHAWAJNXSA-N 1 1 386.923 4.134 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000572813590 823404306 /nfs/dbraw/zinc/40/43/06/823404306.db2.gz AQDWBGCCLUQUSD-WBVHZDCISA-N 1 1 387.911 4.025 20 0 GIADMO CC[C@H](C)n1c2ccc(NC(=O)N3CCC[N@@H+](C)CC3)cc2nc1C(F)(F)F ZINC000572835959 823407728 /nfs/dbraw/zinc/40/77/28/823407728.db2.gz RWXNKWKETSFAND-ZDUSSCGKSA-N 1 1 397.445 4.196 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000189396683 823407886 /nfs/dbraw/zinc/40/78/86/823407886.db2.gz ULORQGLWUHMLSL-ZDUSSCGKSA-N 1 1 384.954 4.134 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)CCc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000189411305 823410701 /nfs/dbraw/zinc/41/07/01/823410701.db2.gz RCPDSMSQJPSEHV-YKSBVNFPSA-N 1 1 393.575 4.197 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)CCc2cccc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000189411325 823410760 /nfs/dbraw/zinc/41/07/60/823410760.db2.gz RCPDSMSQJPSEHV-RDPSFJRHSA-N 1 1 393.575 4.197 20 0 GIADMO C[N@H+](Cc1csc(Br)c1)C1CCN(CCc2ccccn2)CC1 ZINC000177258207 823412010 /nfs/dbraw/zinc/41/20/10/823412010.db2.gz WSGZLAWUFOXVKJ-UHFFFAOYSA-N 1 1 394.382 4.045 20 0 GIADMO C[N@@H+](Cc1csc(Br)c1)C1CCN(CCc2ccccn2)CC1 ZINC000177258207 823412013 /nfs/dbraw/zinc/41/20/13/823412013.db2.gz WSGZLAWUFOXVKJ-UHFFFAOYSA-N 1 1 394.382 4.045 20 0 GIADMO C[NH+](C)[C@H](C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000572852751 823409483 /nfs/dbraw/zinc/40/94/83/823409483.db2.gz LQIFUCRHWVYWFL-CZAAIQMYSA-N 1 1 386.923 4.227 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)cc1 ZINC000572851400 823409584 /nfs/dbraw/zinc/40/95/84/823409584.db2.gz OYHNFIHJBDCFLS-JJEOQYAHSA-N 1 1 389.499 4.178 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(C)cc1OCc1ccccc1)CC2 ZINC000572887743 823414363 /nfs/dbraw/zinc/41/43/63/823414363.db2.gz UCHPXNOSCRLAHD-LJQANCHMSA-N 1 1 375.472 4.280 20 0 GIADMO CCOC(=O)[C@@H]1CC[C@@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c2ccccc21 ZINC000572890985 823415088 /nfs/dbraw/zinc/41/50/88/823415088.db2.gz QOHIEEWHIKYTRZ-VSKRKVRLSA-N 1 1 384.495 4.200 20 0 GIADMO C[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1-n1cccn1 ZINC000177267347 823415150 /nfs/dbraw/zinc/41/51/50/823415150.db2.gz ZXUVLRCXYASJIZ-XXBNENTESA-N 1 1 388.515 4.277 20 0 GIADMO Clc1ccc([C@@H](Cc2cccnc2)[NH2+]Cc2nnc3n2CCCCC3)cc1 ZINC000572894270 823415418 /nfs/dbraw/zinc/41/54/18/823415418.db2.gz DFVHEAZPNQHSKR-LJQANCHMSA-N 1 1 381.911 4.127 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C3CC3)CC2)[C@@H]1c1cccs1 ZINC000460525113 823419352 /nfs/dbraw/zinc/41/93/52/823419352.db2.gz HOLXIFOBIPBJKA-QFBILLFUSA-N 1 1 375.582 4.353 20 0 GIADMO Cc1cc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)cn2cc[nH+]c12 ZINC000572934844 823423181 /nfs/dbraw/zinc/42/31/81/823423181.db2.gz KROPPJOMZNTMAC-UHFFFAOYSA-N 1 1 384.867 4.371 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000177295279 823424497 /nfs/dbraw/zinc/42/44/97/823424497.db2.gz AUWPPDWZWAJAGP-GOSISDBHSA-N 1 1 391.515 4.334 20 0 GIADMO C[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000122836890 823420580 /nfs/dbraw/zinc/42/05/80/823420580.db2.gz BVUZVHKMNHLRBV-ZDUSSCGKSA-N 1 1 395.334 4.452 20 0 GIADMO C[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Cc1cccs1 ZINC000460528751 823420958 /nfs/dbraw/zinc/42/09/58/823420958.db2.gz QFJXJPFTXPLEKD-SESVDKBCSA-N 1 1 397.588 4.090 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)[nH+]1 ZINC000410223763 823424547 /nfs/dbraw/zinc/42/45/47/823424547.db2.gz LJIQMIHNQHWEBD-NRFANRHFSA-N 1 1 384.499 4.194 20 0 GIADMO C[C@H]1C[C@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000177304635 823427384 /nfs/dbraw/zinc/42/73/84/823427384.db2.gz LKNMIHHJSMFJBR-QFBILLFUSA-N 1 1 397.485 4.414 20 0 GIADMO Cc1ccccc1C(C)(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058685921 823430604 /nfs/dbraw/zinc/43/06/04/823430604.db2.gz AQVGPYLUVLNTGO-BGYRXZFFSA-N 1 1 394.559 4.198 20 0 GIADMO Cc1ccccc1C(C)(C)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058685921 823430605 /nfs/dbraw/zinc/43/06/05/823430605.db2.gz AQVGPYLUVLNTGO-BGYRXZFFSA-N 1 1 394.559 4.198 20 0 GIADMO COC(=O)[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000573012158 823433379 /nfs/dbraw/zinc/43/33/79/823433379.db2.gz BNKKDARXWVEZEM-VGSWGCGISA-N 1 1 384.495 4.204 20 0 GIADMO CC(=O)N1CC[NH+](Cc2cccc(NCc3cccc(Cl)c3Cl)c2)CC1 ZINC000189510955 823434111 /nfs/dbraw/zinc/43/41/11/823434111.db2.gz DITXCQQOGSPQOQ-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO Oc1ccc(C2=CC[N@@H+](C[C@@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000024751735 819873330 /nfs/dbraw/zinc/87/33/30/819873330.db2.gz ILVZYVBBENXYBF-JOCHJYFZSA-N 1 1 375.468 4.074 20 0 GIADMO Oc1ccc(C2=CC[N@@H+](C[C@H](O)COc3cccc4ccccc43)CC2)cc1 ZINC000024751740 819873629 /nfs/dbraw/zinc/87/36/29/819873629.db2.gz ILVZYVBBENXYBF-QFIPXVFZSA-N 1 1 375.468 4.074 20 0 GIADMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCc1ccccn1)CC2 ZINC000024786797 819876646 /nfs/dbraw/zinc/87/66/46/819876646.db2.gz SQXPEKCTLCICFR-JOCHJYFZSA-N 1 1 380.513 4.351 20 0 GIADMO CCC[C@@H](NC(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000024800650 819878149 /nfs/dbraw/zinc/87/81/49/819878149.db2.gz ZCRMTUSVVYKKPM-HXUWFJFHSA-N 1 1 384.520 4.102 20 0 GIADMO CCC[C@@H](NC(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000024800650 819878157 /nfs/dbraw/zinc/87/81/57/819878157.db2.gz ZCRMTUSVVYKKPM-HXUWFJFHSA-N 1 1 384.520 4.102 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000024804466 819878753 /nfs/dbraw/zinc/87/87/53/819878753.db2.gz AOFOFGLWTGKYKS-MRXNPFEDSA-N 1 1 378.394 4.436 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CCC(=O)Nc2ccccc2Cl)cc1OC ZINC000024804429 819878884 /nfs/dbraw/zinc/87/88/84/819878884.db2.gz DLIZYGYIQQWGJC-UHFFFAOYSA-N 1 1 376.884 4.126 20 0 GIADMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000573024244 823435558 /nfs/dbraw/zinc/43/55/58/823435558.db2.gz XGMSUGZRKMBSHQ-CQSZACIVSA-N 1 1 387.553 4.212 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000573027252 823436150 /nfs/dbraw/zinc/43/61/50/823436150.db2.gz SJVAWHBAFPPYEP-ZCNNSNEGSA-N 1 1 398.497 4.487 20 0 GIADMO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573035935 823437671 /nfs/dbraw/zinc/43/76/71/823437671.db2.gz GKIVDEHUROTHOU-MZYLBHOOSA-N 1 1 398.591 4.248 20 0 GIADMO CN(C(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)[C@H]1CCCc2ccccc21 ZINC000025055179 819916421 /nfs/dbraw/zinc/91/64/21/819916421.db2.gz IFGYKTLOEVIBPP-QHCPKHFHSA-N 1 1 390.527 4.117 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1C ZINC000189527813 823437914 /nfs/dbraw/zinc/43/79/14/823437914.db2.gz SIGGNAYTKQKXSL-RBBKRZOGSA-N 1 1 394.519 4.301 20 0 GIADMO COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000025068086 819919395 /nfs/dbraw/zinc/91/93/95/819919395.db2.gz AQABSAHNEIMODV-GBESFXJTSA-N 1 1 396.531 4.104 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000025087573 819924252 /nfs/dbraw/zinc/92/42/52/819924252.db2.gz QHWGMEUMBDJLHK-REHUZNOOSA-N 1 1 392.543 4.143 20 0 GIADMO Cc1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c2cccnc12 ZINC000025094097 819927278 /nfs/dbraw/zinc/92/72/78/819927278.db2.gz YXIBRLHKFFGFTJ-QZTJIDSGSA-N 1 1 389.499 4.405 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NC[C@H]3CCCc4ccccc43)cc2)C[C@@H](C)O1 ZINC000025109035 819930443 /nfs/dbraw/zinc/93/04/43/819930443.db2.gz ZKCLFUXZTHXQME-DNVFCKCGSA-N 1 1 392.543 4.146 20 0 GIADMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cc(=O)n4c(C)csc4n3)oc21 ZINC000177337571 823439232 /nfs/dbraw/zinc/43/92/32/823439232.db2.gz UCUCWQKXKVHTFE-CYBMUJFWSA-N 1 1 383.473 4.060 20 0 GIADMO Cc1ccc(C)c(OCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000025183082 819939984 /nfs/dbraw/zinc/93/99/84/819939984.db2.gz RLOFKJBVGJXGCH-UHFFFAOYSA-N 1 1 378.516 4.239 20 0 GIADMO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000573048127 823439750 /nfs/dbraw/zinc/43/97/50/823439750.db2.gz PQPUNXDSSMUVQI-INIZCTEOSA-N 1 1 390.256 4.239 20 0 GIADMO CC(=O)Nc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000025214867 819944101 /nfs/dbraw/zinc/94/41/01/819944101.db2.gz BAQYQMDSUXIDPO-JOCHJYFZSA-N 1 1 391.446 4.254 20 0 GIADMO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)COCc2cccc(OC)c2)cc1 ZINC000025302191 819958041 /nfs/dbraw/zinc/95/80/41/819958041.db2.gz IAFAESLAPQRSNC-QPPBQGQZSA-N 1 1 399.531 4.199 20 0 GIADMO CCC(CC)n1nccc1C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000122967463 823441550 /nfs/dbraw/zinc/44/15/50/823441550.db2.gz AJHOKXCGHJEZKQ-FQEVSTJZSA-N 1 1 382.552 4.228 20 0 GIADMO Cc1csc2nc(C[N@@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)cc(=O)n12 ZINC000025401164 819975630 /nfs/dbraw/zinc/97/56/30/819975630.db2.gz VHWQYYSIXODYHF-OAQYLSRUSA-N 1 1 387.508 4.212 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000025420823 819977939 /nfs/dbraw/zinc/97/79/39/819977939.db2.gz CPZOLJRRYUGFPX-SFHVURJKSA-N 1 1 385.939 4.102 20 0 GIADMO C[N@H+](CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)Cc1ccccc1 ZINC000025417109 819978093 /nfs/dbraw/zinc/97/80/93/819978093.db2.gz ZVNKJSSNMDVNMG-UHFFFAOYSA-N 1 1 388.471 4.401 20 0 GIADMO C[N@@H+](CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)Cc1ccccc1 ZINC000025417109 819978097 /nfs/dbraw/zinc/97/80/97/819978097.db2.gz ZVNKJSSNMDVNMG-UHFFFAOYSA-N 1 1 388.471 4.401 20 0 GIADMO Cc1ccc2c(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000025421819 819978396 /nfs/dbraw/zinc/97/83/96/819978396.db2.gz LCRXARUUAOLNER-IBGZPJMESA-N 1 1 377.440 4.210 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)c1ccc(F)cc1 ZINC000025437346 819979460 /nfs/dbraw/zinc/97/94/60/819979460.db2.gz HCBIDYPLJFMFMI-INIZCTEOSA-N 1 1 385.266 4.127 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)c1ccc(F)cc1 ZINC000025437346 819979466 /nfs/dbraw/zinc/97/94/66/819979466.db2.gz HCBIDYPLJFMFMI-INIZCTEOSA-N 1 1 385.266 4.127 20 0 GIADMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1OCC ZINC000025440426 819980743 /nfs/dbraw/zinc/98/07/43/819980743.db2.gz NKQKTAVUEDHDJC-HXUWFJFHSA-N 1 1 382.504 4.130 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)cc(=O)oc2c1 ZINC000025443762 819981366 /nfs/dbraw/zinc/98/13/66/819981366.db2.gz PPJPMIQCLMUVJC-HXUWFJFHSA-N 1 1 380.419 4.228 20 0 GIADMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000573068964 823443273 /nfs/dbraw/zinc/44/32/73/823443273.db2.gz PKLZWCBPEXIESI-RISCZKNCSA-N 1 1 382.348 4.252 20 0 GIADMO CC(C)(CNC(=O)CCc1nc2ccccc2s1)[N@H+]1CCc2ccccc2C1 ZINC000025461205 819985255 /nfs/dbraw/zinc/98/52/55/819985255.db2.gz FIJFSFSDJMCXLC-UHFFFAOYSA-N 1 1 393.556 4.182 20 0 GIADMO COc1ccc(C[N@@H+](C)Cn2cnc3cc(C)c(C)cc32)cc1OC(F)F ZINC000025482436 819989711 /nfs/dbraw/zinc/98/97/11/819989711.db2.gz OQBAWWFUEPFNDJ-UHFFFAOYSA-N 1 1 375.419 4.353 20 0 GIADMO CC(C)c1ccccc1NC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000573070607 823443698 /nfs/dbraw/zinc/44/36/98/823443698.db2.gz QIJFJEGOVQMPHD-UHFFFAOYSA-N 1 1 395.551 4.412 20 0 GIADMO C[C@H](CNC(=O)CCCc1nc2ccccc2s1)[N@H+]1CCc2ccccc2C1 ZINC000025634535 820009203 /nfs/dbraw/zinc/00/92/03/820009203.db2.gz GBMKEELEVREBIN-QGZVFWFLSA-N 1 1 393.556 4.182 20 0 GIADMO CC(C)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccccc1 ZINC000025820566 820029028 /nfs/dbraw/zinc/02/90/28/820029028.db2.gz OPKXWKHZGQBDMJ-HXUWFJFHSA-N 1 1 391.471 4.461 20 0 GIADMO CC(C)[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccccc1 ZINC000025820566 820029039 /nfs/dbraw/zinc/02/90/39/820029039.db2.gz OPKXWKHZGQBDMJ-HXUWFJFHSA-N 1 1 391.471 4.461 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025830626 820029924 /nfs/dbraw/zinc/02/99/24/820029924.db2.gz HLGABEYSGCBOJH-SFHVURJKSA-N 1 1 393.531 4.031 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573103093 823448116 /nfs/dbraw/zinc/44/81/16/823448116.db2.gz WBZQAALXTPXNBV-UXHICEINSA-N 1 1 397.950 4.041 20 0 GIADMO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000025945276 820043059 /nfs/dbraw/zinc/04/30/59/820043059.db2.gz JYEBTLLXOMLRSB-FQEVSTJZSA-N 1 1 396.487 4.225 20 0 GIADMO CCOC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000025945276 820043064 /nfs/dbraw/zinc/04/30/64/820043064.db2.gz JYEBTLLXOMLRSB-FQEVSTJZSA-N 1 1 396.487 4.225 20 0 GIADMO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2)C1)Nc1cc(Cl)ccc1Cl ZINC000025948782 820043524 /nfs/dbraw/zinc/04/35/24/820043524.db2.gz YWJOETJFJICTCP-GOSISDBHSA-N 1 1 379.287 4.396 20 0 GIADMO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2)C1)Nc1cc(Cl)ccc1Cl ZINC000025948782 820043532 /nfs/dbraw/zinc/04/35/32/820043532.db2.gz YWJOETJFJICTCP-GOSISDBHSA-N 1 1 379.287 4.396 20 0 GIADMO FC(F)C(F)(F)COCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000189577014 823449070 /nfs/dbraw/zinc/44/90/70/823449070.db2.gz LALQFBGOFAJNKG-LBPRGKRZSA-N 1 1 380.451 4.118 20 0 GIADMO O=C(c1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1)N1CCCC1 ZINC000026165419 820065935 /nfs/dbraw/zinc/06/59/35/820065935.db2.gz FXZQBIWYBVPZDB-XMMPIXPASA-N 1 1 385.511 4.329 20 0 GIADMO O=C(c1ccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1)N1CCCC1 ZINC000026165419 820065940 /nfs/dbraw/zinc/06/59/40/820065940.db2.gz FXZQBIWYBVPZDB-XMMPIXPASA-N 1 1 385.511 4.329 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000026168094 820066604 /nfs/dbraw/zinc/06/66/04/820066604.db2.gz WISSKHKPKRKEBB-CQSZACIVSA-N 1 1 391.309 4.225 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000026168094 820066614 /nfs/dbraw/zinc/06/66/14/820066614.db2.gz WISSKHKPKRKEBB-CQSZACIVSA-N 1 1 391.309 4.225 20 0 GIADMO COc1ccc([C@H](NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000026173969 820066682 /nfs/dbraw/zinc/06/66/82/820066682.db2.gz DFOGQZXIBYCAQI-WZONZLPQSA-N 1 1 395.547 4.138 20 0 GIADMO c1c(C[NH2+][C@H]2CCc3ccc(-c4ccccc4)cc32)nnn1Cc1cccnc1 ZINC000189578738 823450090 /nfs/dbraw/zinc/45/00/90/823450090.db2.gz DERWDQXJEMSDHG-DEOSSOPVSA-N 1 1 381.483 4.166 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000026214581 820070327 /nfs/dbraw/zinc/07/03/27/820070327.db2.gz NCEJLVGHHWMNJR-CYBMUJFWSA-N 1 1 379.273 4.356 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000026214581 820070336 /nfs/dbraw/zinc/07/03/36/820070336.db2.gz NCEJLVGHHWMNJR-CYBMUJFWSA-N 1 1 379.273 4.356 20 0 GIADMO Cc1nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 ZINC000026235019 820072330 /nfs/dbraw/zinc/07/23/30/820072330.db2.gz ZUSILIMYQDPJHI-OAQYLSRUSA-N 1 1 378.545 4.435 20 0 GIADMO Cc1nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 ZINC000026235019 820072336 /nfs/dbraw/zinc/07/23/36/820072336.db2.gz ZUSILIMYQDPJHI-OAQYLSRUSA-N 1 1 378.545 4.435 20 0 GIADMO CC[C@@H](NC(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000026320590 820082434 /nfs/dbraw/zinc/08/24/34/820082434.db2.gz AWEUCLCBPOPDKW-GOSISDBHSA-N 1 1 390.911 4.057 20 0 GIADMO CC[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000026320590 820082439 /nfs/dbraw/zinc/08/24/39/820082439.db2.gz AWEUCLCBPOPDKW-GOSISDBHSA-N 1 1 390.911 4.057 20 0 GIADMO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000026348072 820087075 /nfs/dbraw/zinc/08/70/75/820087075.db2.gz IASCAYJUTSGRIH-RYUDHWBXSA-N 1 1 394.302 4.031 20 0 GIADMO C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026370180 820091007 /nfs/dbraw/zinc/09/10/07/820091007.db2.gz RWLQOCPPTWJYAU-OAHLLOKOSA-N 1 1 397.519 4.320 20 0 GIADMO C[C@H](NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1)c1cccs1 ZINC000026446513 820097963 /nfs/dbraw/zinc/09/79/63/820097963.db2.gz TXPUKPUPHZEQSR-ZDUSSCGKSA-N 1 1 393.350 4.352 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1)c1cccs1 ZINC000026446513 820097974 /nfs/dbraw/zinc/09/79/74/820097974.db2.gz TXPUKPUPHZEQSR-ZDUSSCGKSA-N 1 1 393.350 4.352 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000026452552 820098758 /nfs/dbraw/zinc/09/87/58/820098758.db2.gz CYQPIIIXSUBBSU-CQSZACIVSA-N 1 1 392.446 4.318 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000026452552 820098768 /nfs/dbraw/zinc/09/87/68/820098768.db2.gz CYQPIIIXSUBBSU-CQSZACIVSA-N 1 1 392.446 4.318 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC(F)F ZINC000026452565 820098972 /nfs/dbraw/zinc/09/89/72/820098972.db2.gz BTJVOHWTNKVDOG-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC(F)F ZINC000026452565 820098983 /nfs/dbraw/zinc/09/89/83/820098983.db2.gz BTJVOHWTNKVDOG-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO Cn1cccc1[C@H]1CCCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058791285 823452769 /nfs/dbraw/zinc/45/27/69/823452769.db2.gz FPAPMANCWVAQMM-FYYLOGMGSA-N 1 1 379.548 4.381 20 0 GIADMO Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000573140408 823454269 /nfs/dbraw/zinc/45/42/69/823454269.db2.gz NBOBRPRABDHPJT-OPYAIIAOSA-N 1 1 395.453 4.359 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000573158064 823456977 /nfs/dbraw/zinc/45/69/77/823456977.db2.gz JLTFIYGRQOWCMK-ZOCZFRKYSA-N 1 1 387.474 4.330 20 0 GIADMO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000123074628 823457560 /nfs/dbraw/zinc/45/75/60/823457560.db2.gz YQLFEYABTPKRMD-SUMWQHHRSA-N 1 1 386.908 4.288 20 0 GIADMO Cc1ccc2cc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)ccc2n1 ZINC000189612245 823457949 /nfs/dbraw/zinc/45/79/49/823457949.db2.gz KUFSGQHHPCINCR-FQEVSTJZSA-N 1 1 375.520 4.241 20 0 GIADMO CC(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460626410 823460039 /nfs/dbraw/zinc/46/00/39/823460039.db2.gz DPLRSBSWZQFMFF-GHTZIAJQSA-N 1 1 381.568 4.301 20 0 GIADMO CC(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460626412 823460054 /nfs/dbraw/zinc/46/00/54/823460054.db2.gz DPLRSBSWZQFMFF-RXVVDRJESA-N 1 1 381.568 4.301 20 0 GIADMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177449887 823464866 /nfs/dbraw/zinc/46/48/66/823464866.db2.gz QGYRJWFOYRPQKW-KDOFPFPSSA-N 1 1 391.899 4.111 20 0 GIADMO CC(C)Cn1c(C2CC2)nnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000460629017 823460695 /nfs/dbraw/zinc/46/06/95/823460695.db2.gz KTQHCNYCTIAIDR-XMMPIXPASA-N 1 1 393.579 4.304 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2csc(-c3ccccc3OC)n2)c1 ZINC000058832717 823460999 /nfs/dbraw/zinc/46/09/99/823460999.db2.gz RKRXLGNWQKLJOW-UHFFFAOYSA-N 1 1 395.528 4.200 20 0 GIADMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000058832795 823461048 /nfs/dbraw/zinc/46/10/48/823461048.db2.gz GHAPIWSPULELAB-DNQXCXABSA-N 1 1 392.543 4.106 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCCCOc1ccccc1 ZINC000189623454 823461117 /nfs/dbraw/zinc/46/11/17/823461117.db2.gz YKNNLLDWIIDSKH-SFHVURJKSA-N 1 1 375.534 4.332 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000027218412 820211492 /nfs/dbraw/zinc/21/14/92/820211492.db2.gz WODMFLYZDXULJE-MRXNPFEDSA-N 1 1 391.968 4.163 20 0 GIADMO Clc1ccc(OC[C@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)cc1 ZINC000027237621 820214331 /nfs/dbraw/zinc/21/43/31/820214331.db2.gz ZSRUQWDVFBELTR-OAHLLOKOSA-N 1 1 375.881 4.495 20 0 GIADMO Clc1ccc(OC[C@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)cc1 ZINC000027237621 820214335 /nfs/dbraw/zinc/21/43/35/820214335.db2.gz ZSRUQWDVFBELTR-OAHLLOKOSA-N 1 1 375.881 4.495 20 0 GIADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C(F)(F)F)nc1 ZINC000027345762 820228359 /nfs/dbraw/zinc/22/83/59/820228359.db2.gz BPSIOTFLWPUWDH-MRXNPFEDSA-N 1 1 397.828 4.321 20 0 GIADMO FC(F)Oc1ccc(Cl)cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177444996 823463535 /nfs/dbraw/zinc/46/35/35/823463535.db2.gz LKMSLPSTWYAJCG-MRXNPFEDSA-N 1 1 375.843 4.101 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000058861342 823463662 /nfs/dbraw/zinc/46/36/62/823463662.db2.gz VEUFHNCXOVMVIL-UHFFFAOYSA-N 1 1 392.341 4.123 20 0 GIADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cn2c(cccc2C)n1 ZINC000123112356 823464126 /nfs/dbraw/zinc/46/41/26/823464126.db2.gz OIVPMIKDGCWMCL-UHFFFAOYSA-N 1 1 393.922 4.448 20 0 GIADMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000027557239 820259090 /nfs/dbraw/zinc/25/90/90/820259090.db2.gz BQEHMONSDWBWKM-NSHDSACASA-N 1 1 383.236 4.359 20 0 GIADMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000027557239 820259092 /nfs/dbraw/zinc/25/90/92/820259092.db2.gz BQEHMONSDWBWKM-NSHDSACASA-N 1 1 383.236 4.359 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460646433 823465626 /nfs/dbraw/zinc/46/56/26/823465626.db2.gz CXMKHIBSCYVOAC-RYQLBKOJSA-N 1 1 385.474 4.269 20 0 GIADMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000027738839 820281296 /nfs/dbraw/zinc/28/12/96/820281296.db2.gz HPOWOKKUGQFSEL-INIZCTEOSA-N 1 1 384.701 4.277 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)c(C(F)(F)F)c1 ZINC000027892984 820294212 /nfs/dbraw/zinc/29/42/12/820294212.db2.gz GIQWLWITDJVFFB-NSHDSACASA-N 1 1 399.438 4.357 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccs2)c(C(F)(F)F)c1 ZINC000027892984 820294221 /nfs/dbraw/zinc/29/42/21/820294221.db2.gz GIQWLWITDJVFFB-NSHDSACASA-N 1 1 399.438 4.357 20 0 GIADMO Cc1ccccc1Nc1nc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cs1 ZINC000177475790 823471411 /nfs/dbraw/zinc/47/14/11/823471411.db2.gz IVIJVMIQJAUYFJ-IBGZPJMESA-N 1 1 387.549 4.355 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3C)s2)cc1 ZINC000123138299 823468618 /nfs/dbraw/zinc/46/86/18/823468618.db2.gz ZZXWAFURZVBTJZ-UHFFFAOYSA-N 1 1 398.532 4.160 20 0 GIADMO COC(=O)c1cccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000410346592 823469037 /nfs/dbraw/zinc/46/90/37/823469037.db2.gz WEUCFLFUESTCKP-QGZVFWFLSA-N 1 1 395.503 4.169 20 0 GIADMO Clc1cccc(-c2nc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)co2)c1 ZINC000177467619 823469051 /nfs/dbraw/zinc/46/90/51/823469051.db2.gz VUOPTUYYIDXJKX-IBGZPJMESA-N 1 1 376.884 4.155 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000123145125 823469691 /nfs/dbraw/zinc/46/96/91/823469691.db2.gz JPGHQRLILMCPES-QFBILLFUSA-N 1 1 386.565 4.326 20 0 GIADMO C[C@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460660819 823469727 /nfs/dbraw/zinc/46/97/27/823469727.db2.gz UWZUGSPASNKZGS-VVLHAWIVSA-N 1 1 389.506 4.402 20 0 GIADMO Clc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000177470048 823470026 /nfs/dbraw/zinc/47/00/26/823470026.db2.gz AWWCKHYMNIHUGD-INIZCTEOSA-N 1 1 388.733 4.263 20 0 GIADMO C[C@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCc2sccc2C1 ZINC000028382066 820330992 /nfs/dbraw/zinc/33/09/92/820330992.db2.gz NDJFOAASRVSCSF-CABCVRRESA-N 1 1 383.517 4.301 20 0 GIADMO C[C@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCc2sccc2C1 ZINC000028382066 820331000 /nfs/dbraw/zinc/33/10/00/820331000.db2.gz NDJFOAASRVSCSF-CABCVRRESA-N 1 1 383.517 4.301 20 0 GIADMO COCc1cccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410351277 823470782 /nfs/dbraw/zinc/47/07/82/823470782.db2.gz GOCLDCSAZUBBBS-IBGZPJMESA-N 1 1 395.547 4.064 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177480322 823472349 /nfs/dbraw/zinc/47/23/49/823472349.db2.gz MBRKIHRAGYVWSC-HNNXBMFYSA-N 1 1 396.478 4.286 20 0 GIADMO CCC(C)(C)NC(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000028728480 820354246 /nfs/dbraw/zinc/35/42/46/820354246.db2.gz NDLSZTVKARCMHV-UHFFFAOYSA-N 1 1 390.531 4.276 20 0 GIADMO CCC(C)(C)NC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000028728480 820354255 /nfs/dbraw/zinc/35/42/55/820354255.db2.gz NDLSZTVKARCMHV-UHFFFAOYSA-N 1 1 390.531 4.276 20 0 GIADMO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000177483110 823473025 /nfs/dbraw/zinc/47/30/25/823473025.db2.gz WFDDTGOPJKHVQU-MRXNPFEDSA-N 1 1 376.566 4.407 20 0 GIADMO CCCO[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000123169845 823473290 /nfs/dbraw/zinc/47/32/90/823473290.db2.gz OIMNEPPGXLEHLJ-DYESRHJHSA-N 1 1 384.524 4.232 20 0 GIADMO CCOc1c(Cl)cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000058972124 823477283 /nfs/dbraw/zinc/47/72/83/823477283.db2.gz KWQZCCXMFZRLAK-IYBDPMFKSA-N 1 1 396.959 4.235 20 0 GIADMO CO[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000410369304 823477265 /nfs/dbraw/zinc/47/72/65/823477265.db2.gz BCVIBFCXQOFZNS-AUSIDOKSSA-N 1 1 395.547 4.248 20 0 GIADMO CCCCN(CCCC)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410369075 823477279 /nfs/dbraw/zinc/47/72/79/823477279.db2.gz OCSHXZHMJKNLMX-BGYRXZFFSA-N 1 1 389.584 4.408 20 0 GIADMO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1nc2ccccc2s1 ZINC000028888699 820367668 /nfs/dbraw/zinc/36/76/68/820367668.db2.gz XYWLITHDCOPLRL-SFHVURJKSA-N 1 1 379.529 4.312 20 0 GIADMO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1nc2ccccc2s1 ZINC000028888699 820367678 /nfs/dbraw/zinc/36/76/78/820367678.db2.gz XYWLITHDCOPLRL-SFHVURJKSA-N 1 1 379.529 4.312 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000028896325 820368756 /nfs/dbraw/zinc/36/87/56/820368756.db2.gz NJHZRRJIFGQYHO-UHFFFAOYSA-N 1 1 399.560 4.233 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000028896325 820368769 /nfs/dbraw/zinc/36/87/69/820368769.db2.gz NJHZRRJIFGQYHO-UHFFFAOYSA-N 1 1 399.560 4.233 20 0 GIADMO COc1ccc(CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410361221 823474135 /nfs/dbraw/zinc/47/41/35/823474135.db2.gz URFJKXCSHMKYBI-IBGZPJMESA-N 1 1 395.547 4.112 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000177489014 823474374 /nfs/dbraw/zinc/47/43/74/823474374.db2.gz CVDRZYNDWOOHSV-RBUKOAKNSA-N 1 1 389.584 4.006 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCO2 ZINC000410361912 823474448 /nfs/dbraw/zinc/47/44/48/823474448.db2.gz BCEUSQFJQQDDLI-KRWDZBQOSA-N 1 1 379.504 4.318 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cccnc2)C1 ZINC000410362604 823474738 /nfs/dbraw/zinc/47/47/38/823474738.db2.gz HHIAVZYXHLHWLA-AUSIDOKSSA-N 1 1 392.547 4.360 20 0 GIADMO Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cnn1-c1ccccc1C ZINC000029052223 820387726 /nfs/dbraw/zinc/38/77/26/820387726.db2.gz ZIPASQAMANNPIU-NRFANRHFSA-N 1 1 396.922 4.175 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccccc1Cl ZINC000029050841 820388011 /nfs/dbraw/zinc/38/80/11/820388011.db2.gz HPDRAMNXWUZWDW-GOSISDBHSA-N 1 1 378.875 4.056 20 0 GIADMO CSc1cccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410364378 823475448 /nfs/dbraw/zinc/47/54/48/823475448.db2.gz AFSKMLOCLMXJFZ-CALCHBBNSA-N 1 1 399.560 4.339 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC000029114995 820394548 /nfs/dbraw/zinc/39/45/48/820394548.db2.gz GNEXIFDZVIERKF-URXFXBBRSA-N 1 1 396.531 4.354 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC000029114995 820394561 /nfs/dbraw/zinc/39/45/61/820394561.db2.gz GNEXIFDZVIERKF-URXFXBBRSA-N 1 1 396.531 4.354 20 0 GIADMO Cc1ccc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000410365067 823475871 /nfs/dbraw/zinc/47/58/71/823475871.db2.gz JHTVPJFCCNPFIG-CALCHBBNSA-N 1 1 385.483 4.065 20 0 GIADMO COc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)c(OC)cc1Cl ZINC000029152621 820400830 /nfs/dbraw/zinc/40/08/30/820400830.db2.gz GEPMLLAAZIPNBH-GFCCVEGCSA-N 1 1 380.847 4.128 20 0 GIADMO COc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c(OC)cc1Cl ZINC000029152621 820400832 /nfs/dbraw/zinc/40/08/32/820400832.db2.gz GEPMLLAAZIPNBH-GFCCVEGCSA-N 1 1 380.847 4.128 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N(C)CC3CCCCC3)cc2)C[C@H](C)O1 ZINC000410368477 823476913 /nfs/dbraw/zinc/47/69/13/823476913.db2.gz UHEAVJNOZBOQCA-KDURUIRLSA-N 1 1 387.568 4.018 20 0 GIADMO C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177502443 823477946 /nfs/dbraw/zinc/47/79/46/823477946.db2.gz BKHSTQFXPXXKIV-OTWHNJEPSA-N 1 1 398.551 4.009 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(F)c3)cc2)C1 ZINC000410374467 823479691 /nfs/dbraw/zinc/47/96/91/823479691.db2.gz ZHEICFQMUHUUNQ-GOSISDBHSA-N 1 1 383.511 4.399 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000029475483 820460118 /nfs/dbraw/zinc/46/01/18/820460118.db2.gz QODWUZTYFIBHGV-XMMPIXPASA-N 1 1 380.532 4.196 20 0 GIADMO CSCC[C@@H]([NH2+]Cc1ccc(Br)cc1)c1nnc2ccccn21 ZINC000123224635 823481401 /nfs/dbraw/zinc/48/14/01/823481401.db2.gz AIAVPDUTTCDNLE-OAHLLOKOSA-N 1 1 391.338 4.076 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)Cc2ccc(F)c(F)c2)cc1 ZINC000123227630 823481701 /nfs/dbraw/zinc/48/17/01/823481701.db2.gz DRXDWNMWMOVQLQ-AWEZNQCLSA-N 1 1 384.430 4.362 20 0 GIADMO O=C(Cc1ccc(OC(F)F)cc1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029637307 820489870 /nfs/dbraw/zinc/48/98/70/820489870.db2.gz IAWWKIHZTSYWOL-UHFFFAOYSA-N 1 1 395.475 4.302 20 0 GIADMO Cc1coc(-c2cccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2)n1 ZINC000189725267 823482840 /nfs/dbraw/zinc/48/28/40/823482840.db2.gz XANJDTMRMBHRLX-VQTJNVASSA-N 1 1 376.460 4.217 20 0 GIADMO CCC(=O)c1ccc(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC000573356779 823483583 /nfs/dbraw/zinc/48/35/83/823483583.db2.gz SQVCHXQJTNRFPC-OAQYLSRUSA-N 1 1 382.504 4.099 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccccc1Cl ZINC000029699658 820500003 /nfs/dbraw/zinc/50/00/03/820500003.db2.gz LZRDATXKFNVTQI-CZUORRHYSA-N 1 1 376.847 4.228 20 0 GIADMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000177532414 823484234 /nfs/dbraw/zinc/48/42/34/823484234.db2.gz ZMDQUVTXUGOJJX-AGHHOFFYSA-N 1 1 391.540 4.227 20 0 GIADMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccccc1 ZINC000059037359 823484272 /nfs/dbraw/zinc/48/42/72/823484272.db2.gz JDJPJLGIQUKHQD-KRWDZBQOSA-N 1 1 394.544 4.232 20 0 GIADMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000029713746 820504669 /nfs/dbraw/zinc/50/46/69/820504669.db2.gz RARWSZDEZPQPNJ-QUCCMNQESA-N 1 1 386.430 4.200 20 0 GIADMO Oc1ccc(CCC2CC[NH+](Cc3cncc(Br)c3)CC2)cc1 ZINC000029713595 820504729 /nfs/dbraw/zinc/50/47/29/820504729.db2.gz NHZVUEMHUYJCNJ-UHFFFAOYSA-N 1 1 375.310 4.395 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H](C)c3cccc(Cl)c3)CC2)cc1 ZINC000460697889 823484855 /nfs/dbraw/zinc/48/48/55/823484855.db2.gz MDOOXFLKQQLNJS-QGZVFWFLSA-N 1 1 386.923 4.187 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000029824769 820524770 /nfs/dbraw/zinc/52/47/70/820524770.db2.gz LIQNBHUCGIILPR-LAHWMRIESA-N 1 1 393.531 4.092 20 0 GIADMO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029824979 820525071 /nfs/dbraw/zinc/52/50/71/820525071.db2.gz XJIXTVVQAAMMDX-OAHLLOKOSA-N 1 1 381.501 4.368 20 0 GIADMO CSc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029824979 820525076 /nfs/dbraw/zinc/52/50/76/820525076.db2.gz XJIXTVVQAAMMDX-OAHLLOKOSA-N 1 1 381.501 4.368 20 0 GIADMO O=C(CCCc1nc2ccccc2s1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029839291 820529551 /nfs/dbraw/zinc/52/95/51/820529551.db2.gz OBPMQGFMEGDXHY-UHFFFAOYSA-N 1 1 393.556 4.184 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000177542324 823486592 /nfs/dbraw/zinc/48/65/92/823486592.db2.gz CEWHFHXKOYYOHJ-GOSISDBHSA-N 1 1 394.519 4.135 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000029992246 820563311 /nfs/dbraw/zinc/56/33/11/820563311.db2.gz DCPKMMRNSBNDFB-LJQANCHMSA-N 1 1 398.304 4.059 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000029992246 820563321 /nfs/dbraw/zinc/56/33/21/820563321.db2.gz DCPKMMRNSBNDFB-LJQANCHMSA-N 1 1 398.304 4.059 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCC3)cc2)c(OC)c1 ZINC000030007449 820567498 /nfs/dbraw/zinc/56/74/98/820567498.db2.gz DUUMMFHBAYQJNR-MRXNPFEDSA-N 1 1 383.492 4.133 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)CC1(O)CCOCC1 ZINC000189757378 823489164 /nfs/dbraw/zinc/48/91/64/823489164.db2.gz AIHZCFKADAOWQG-LBPRGKRZSA-N 1 1 385.291 4.183 20 0 GIADMO Cc1ccc(-c2noc(CN3CCC[N@@H+](Cc4ccccc4C)CC3)n2)cc1 ZINC000030153940 820580766 /nfs/dbraw/zinc/58/07/66/820580766.db2.gz LAJKASPKWCWCOL-UHFFFAOYSA-N 1 1 376.504 4.061 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(Br)o1 ZINC000030217459 820588305 /nfs/dbraw/zinc/58/83/05/820588305.db2.gz NQYYDTQTGRMBHR-UHFFFAOYSA-N 1 1 389.652 4.295 20 0 GIADMO COc1ccc(-c2csc(NC(=O)C[N@H+](C)Cc3ccccc3)n2)cc1F ZINC000059371054 823494448 /nfs/dbraw/zinc/49/44/48/823494448.db2.gz WVMVEPLVEUJOGJ-UHFFFAOYSA-N 1 1 385.464 4.028 20 0 GIADMO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)Cc3ccccc3)n2)cc1F ZINC000059371054 823494450 /nfs/dbraw/zinc/49/44/50/823494450.db2.gz WVMVEPLVEUJOGJ-UHFFFAOYSA-N 1 1 385.464 4.028 20 0 GIADMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cnc2ccccc2c1C(F)(F)F ZINC000030317553 820599913 /nfs/dbraw/zinc/59/99/13/820599913.db2.gz OGQDXFLNWFJVFQ-UHFFFAOYSA-N 1 1 399.416 4.042 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cnc2ccccc2c1C(F)(F)F ZINC000030317553 820599916 /nfs/dbraw/zinc/59/99/16/820599916.db2.gz OGQDXFLNWFJVFQ-UHFFFAOYSA-N 1 1 399.416 4.042 20 0 GIADMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1sc2cc(F)ccc2c1Cl ZINC000030318543 820600666 /nfs/dbraw/zinc/60/06/66/820600666.db2.gz NZSSJGKFQYOQLD-UHFFFAOYSA-N 1 1 388.895 4.482 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1sc2cc(F)ccc2c1Cl ZINC000030318543 820600676 /nfs/dbraw/zinc/60/06/76/820600676.db2.gz NZSSJGKFQYOQLD-UHFFFAOYSA-N 1 1 388.895 4.482 20 0 GIADMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2ccccc2Cl)o1 ZINC000030318567 820600917 /nfs/dbraw/zinc/60/09/17/820600917.db2.gz SDOCRASIVUEABY-UHFFFAOYSA-N 1 1 380.875 4.388 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2ccccc2Cl)o1 ZINC000030318567 820600922 /nfs/dbraw/zinc/60/09/22/820600922.db2.gz SDOCRASIVUEABY-UHFFFAOYSA-N 1 1 380.875 4.388 20 0 GIADMO O=c1[nH]c(CC[N@H+](Cc2cc(F)ccc2F)C2CCCC2)nc2ccccc21 ZINC000177561894 823491529 /nfs/dbraw/zinc/49/15/29/823491529.db2.gz OLVAZKHJBRFKDF-UHFFFAOYSA-N 1 1 383.442 4.189 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1 ZINC000189776343 823492205 /nfs/dbraw/zinc/49/22/05/823492205.db2.gz HPKOXTNSDRKBID-LSDHHAIUSA-N 1 1 378.480 4.231 20 0 GIADMO Cc1ccc(NC(=O)C[N@H+](C)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000030542320 820636450 /nfs/dbraw/zinc/63/64/50/820636450.db2.gz NURIZWQUESPAFE-UHFFFAOYSA-N 1 1 375.472 4.047 20 0 GIADMO Cc1ccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000030542320 820636456 /nfs/dbraw/zinc/63/64/56/820636456.db2.gz NURIZWQUESPAFE-UHFFFAOYSA-N 1 1 375.472 4.047 20 0 GIADMO C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)n1cnc2ccccc21 ZINC000030567360 820641997 /nfs/dbraw/zinc/64/19/97/820641997.db2.gz BVEQPMJNCWBTQU-HNNXBMFYSA-N 1 1 383.521 4.069 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189780784 823493490 /nfs/dbraw/zinc/49/34/90/823493490.db2.gz FORPFYLKQHXVDO-MRXNPFEDSA-N 1 1 379.913 4.279 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000189780784 823493494 /nfs/dbraw/zinc/49/34/94/823493494.db2.gz FORPFYLKQHXVDO-MRXNPFEDSA-N 1 1 379.913 4.279 20 0 GIADMO Clc1ccc(-c2nc(C[NH2+]Cc3ccc(Cn4cncn4)cc3)cs2)cc1 ZINC000030634398 820654851 /nfs/dbraw/zinc/65/48/51/820654851.db2.gz IVBOBHLSYVVMHY-UHFFFAOYSA-N 1 1 395.919 4.393 20 0 GIADMO COc1cccc([C@@H](C)CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000177580027 823495715 /nfs/dbraw/zinc/49/57/15/823495715.db2.gz OVQAPBDRTIVQHY-SFHVURJKSA-N 1 1 384.495 4.062 20 0 GIADMO COc1cccc([C@@H](C)CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000177580027 823495717 /nfs/dbraw/zinc/49/57/17/823495717.db2.gz OVQAPBDRTIVQHY-SFHVURJKSA-N 1 1 384.495 4.062 20 0 GIADMO CCC(CC)[C@@H](CNCc1cn(-c2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC000030667815 820662215 /nfs/dbraw/zinc/66/22/15/820662215.db2.gz ZBFFDYLUUITMQA-HSZRJFAPSA-N 1 1 391.563 4.390 20 0 GIADMO Cc1ccc(COc2ccc(C[NH2+]Cc3nncn3-c3ccccc3)cc2)cc1 ZINC000030908068 820707050 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ZINC000060535431 823539589 /nfs/dbraw/zinc/53/95/89/823539589.db2.gz LARJTKRHBDBTAG-MRXNPFEDSA-N 1 1 381.973 4.393 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000042122682 821269847 /nfs/dbraw/zinc/26/98/47/821269847.db2.gz RZSHFPKHCJPVKR-TZIWHRDSSA-N 1 1 398.466 4.069 20 0 GIADMO COc1ccc2c(c1)CCN2C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000060545143 823540406 /nfs/dbraw/zinc/54/04/06/823540406.db2.gz AFINQYMODXHHGV-GOSISDBHSA-N 1 1 393.531 4.199 20 0 GIADMO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000042132457 821271857 /nfs/dbraw/zinc/27/18/57/821271857.db2.gz FPKQTGPKKOPWTA-ROUUACIJSA-N 1 1 377.488 4.449 20 0 GIADMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000042286516 821295326 /nfs/dbraw/zinc/29/53/26/821295326.db2.gz RLGLRFCJSCWSHN-JSGCOSHPSA-N 1 1 397.397 4.092 20 0 GIADMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000042286516 821295338 /nfs/dbraw/zinc/29/53/38/821295338.db2.gz RLGLRFCJSCWSHN-JSGCOSHPSA-N 1 1 397.397 4.092 20 0 GIADMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(SC)cc2)cc1OC ZINC000042296411 821296428 /nfs/dbraw/zinc/29/64/28/821296428.db2.gz KXXSURYYJHESBM-OAHLLOKOSA-N 1 1 388.533 4.275 20 0 GIADMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(SC)cc2)cc1OC ZINC000042296411 821296434 /nfs/dbraw/zinc/29/64/34/821296434.db2.gz KXXSURYYJHESBM-OAHLLOKOSA-N 1 1 388.533 4.275 20 0 GIADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000042328624 821300577 /nfs/dbraw/zinc/30/05/77/821300577.db2.gz HQHNBLXVFBPCBX-MRVPVSSYSA-N 1 1 392.755 4.495 20 0 GIADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000042328624 821300589 /nfs/dbraw/zinc/30/05/89/821300589.db2.gz HQHNBLXVFBPCBX-MRVPVSSYSA-N 1 1 392.755 4.495 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000042329222 821300966 /nfs/dbraw/zinc/30/09/66/821300966.db2.gz RCWVZZLUIMNDQL-HZPDHXFCSA-N 1 1 396.487 4.148 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000042329222 821300976 /nfs/dbraw/zinc/30/09/76/821300976.db2.gz RCWVZZLUIMNDQL-HZPDHXFCSA-N 1 1 396.487 4.148 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042657447 821321021 /nfs/dbraw/zinc/32/10/21/821321021.db2.gz YRGFMGNRPWACDT-IERDGZPVSA-N 1 1 386.923 4.421 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042657432 821321047 /nfs/dbraw/zinc/32/10/47/821321047.db2.gz RTKOGRMIOSWPBK-KKSFZXQISA-N 1 1 386.923 4.421 20 0 GIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(SC(F)F)cc2)C[C@H](C)O1 ZINC000043118937 821364011 /nfs/dbraw/zinc/36/40/11/821364011.db2.gz XEYNHXDGKTYBFG-STQMWFEESA-N 1 1 387.496 4.011 20 0 GIADMO C[C@H](CNC(=O)Nc1ccccc1Br)[N@@H+]1CCc2sccc2C1 ZINC000043132594 821364643 /nfs/dbraw/zinc/36/46/43/821364643.db2.gz XUGCWKHBFHZTHQ-GFCCVEGCSA-N 1 1 394.338 4.079 20 0 GIADMO C[C@H](CNC(=O)Nc1ccccc1Br)[N@H+]1CCc2sccc2C1 ZINC000043132594 821364653 /nfs/dbraw/zinc/36/46/53/821364653.db2.gz XUGCWKHBFHZTHQ-GFCCVEGCSA-N 1 1 394.338 4.079 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000043159444 821370964 /nfs/dbraw/zinc/37/09/64/821370964.db2.gz QGBCRIVRRSCPDF-UHFFFAOYSA-N 1 1 377.410 4.364 20 0 GIADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000043171395 821373627 /nfs/dbraw/zinc/37/36/27/821373627.db2.gz XMTATLZYMSSYLF-SFHVURJKSA-N 1 1 375.557 4.412 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000180654561 821384206 /nfs/dbraw/zinc/38/42/06/821384206.db2.gz XBEBZUMXSPEKHI-BBRMVZONSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000180654561 821384216 /nfs/dbraw/zinc/38/42/16/821384216.db2.gz XBEBZUMXSPEKHI-BBRMVZONSA-N 1 1 387.833 4.038 20 0 GIADMO COc1cccc2[nH]cc(CC[NH2+][C@H](c3nccn3C)c3ccccc3Cl)c21 ZINC000180662482 821387002 /nfs/dbraw/zinc/38/70/02/821387002.db2.gz IZZAAZXBLDPCCD-NRFANRHFSA-N 1 1 394.906 4.485 20 0 GIADMO Cc1ccc(CN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C2CC2)o1 ZINC000043307283 821389945 /nfs/dbraw/zinc/38/99/45/821389945.db2.gz QOMTUMGMXHECIX-IBGZPJMESA-N 1 1 375.900 4.218 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1 ZINC000180673535 821390584 /nfs/dbraw/zinc/39/05/84/821390584.db2.gz AVTRCJFSQVOSFW-AVRDEDQJSA-N 1 1 376.504 4.133 20 0 GIADMO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000043332142 821393721 /nfs/dbraw/zinc/39/37/21/821393721.db2.gz MYMHSDBRKBEOIZ-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000043332142 821393723 /nfs/dbraw/zinc/39/37/23/821393723.db2.gz MYMHSDBRKBEOIZ-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCc1cn2ccccc2n1)C1CCCCC1 ZINC000043391357 821401047 /nfs/dbraw/zinc/40/10/47/821401047.db2.gz VZBWVSKRIRIRIG-UHFFFAOYSA-N 1 1 391.519 4.421 20 0 GIADMO CN(C)[C@@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000043391377 821401187 /nfs/dbraw/zinc/40/11/87/821401187.db2.gz YHJMYBDALXZRIZ-NRFANRHFSA-N 1 1 398.551 4.469 20 0 GIADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)Nc1cccc2ccccc21 ZINC000180709635 821409495 /nfs/dbraw/zinc/40/94/95/821409495.db2.gz YCDHFSBOZCUKBM-NRFANRHFSA-N 1 1 389.499 4.118 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccn2C2CCCC2)C[C@H](C)O1 ZINC000180713062 821411587 /nfs/dbraw/zinc/41/15/87/821411587.db2.gz VIPOBZYCTLZVQY-HDICACEKSA-N 1 1 381.520 4.465 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccn2C2CCCC2)C[C@H](C)O1 ZINC000180713062 821411590 /nfs/dbraw/zinc/41/15/90/821411590.db2.gz VIPOBZYCTLZVQY-HDICACEKSA-N 1 1 381.520 4.465 20 0 GIADMO CC[N@H+]1CC[C@@H](CNC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)C1 ZINC000180720060 821416227 /nfs/dbraw/zinc/41/62/27/821416227.db2.gz MWBKWSCIFPTQFJ-LBPRGKRZSA-N 1 1 382.291 4.028 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000043495272 821417659 /nfs/dbraw/zinc/41/76/59/821417659.db2.gz RCYYEIZAOJRKGM-QGZVFWFLSA-N 1 1 398.576 4.225 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000043495272 821417667 /nfs/dbraw/zinc/41/76/67/821417667.db2.gz RCYYEIZAOJRKGM-QGZVFWFLSA-N 1 1 398.576 4.225 20 0 GIADMO C[C@@H]1C[C@H](N[C@H](c2cnn(C)c2)c2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000180727017 821420184 /nfs/dbraw/zinc/42/01/84/821420184.db2.gz ITYUJMDXYMWNEB-QFWMQHCXSA-N 1 1 392.522 4.291 20 0 GIADMO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1noc(-c2ccccc2)n1 ZINC000180773753 821447625 /nfs/dbraw/zinc/44/76/25/821447625.db2.gz PTMGZSBHURMVFE-OOHWJJMZSA-N 1 1 386.496 4.223 20 0 GIADMO CCOc1ccc([C@H]([NH2+][C@H]2CCN(C(=O)CC)C2)c2ccccc2Cl)cc1 ZINC000180778339 821451917 /nfs/dbraw/zinc/45/19/17/821451917.db2.gz LVJOSMAZCCHDEU-JTSKRJEESA-N 1 1 386.923 4.429 20 0 GIADMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180798831 821464612 /nfs/dbraw/zinc/46/46/12/821464612.db2.gz GDPLRHSRTQYDOE-GOSISDBHSA-N 1 1 389.425 4.233 20 0 GIADMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(OCc4ccccc4F)c3)[C@@H]2C1 ZINC000180817480 821477937 /nfs/dbraw/zinc/47/79/37/821477937.db2.gz JJWPHNOUBFFEHK-PTUXOGIPSA-N 1 1 385.479 4.173 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)c(OCc3ccccc3C)c(C)c2)C1 ZINC000180828768 821483743 /nfs/dbraw/zinc/48/37/43/821483743.db2.gz RVOZGNMOHCFBRU-QFIPXVFZSA-N 1 1 394.559 4.491 20 0 GIADMO c1sc(Nc2ccccc2)nc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180853573 821496119 /nfs/dbraw/zinc/49/61/19/821496119.db2.gz VUQHVUPIJFVLTA-HNNXBMFYSA-N 1 1 380.521 4.193 20 0 GIADMO c1sc(Nc2ccccc2)nc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180853573 821496125 /nfs/dbraw/zinc/49/61/25/821496125.db2.gz VUQHVUPIJFVLTA-HNNXBMFYSA-N 1 1 380.521 4.193 20 0 GIADMO COc1cc(OC)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000180855284 821496716 /nfs/dbraw/zinc/49/67/16/821496716.db2.gz NGNCXNGAOIMNLI-KBPBESRZSA-N 1 1 395.931 4.132 20 0 GIADMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000180868417 821503753 /nfs/dbraw/zinc/50/37/53/821503753.db2.gz HHJRBTPRNACEKL-KNQAVFIVSA-N 1 1 375.516 4.110 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180973955 821566848 /nfs/dbraw/zinc/56/68/48/821566848.db2.gz GWFPNIAXTHYQFI-CQSZACIVSA-N 1 1 377.481 4.011 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000180990975 821579134 /nfs/dbraw/zinc/57/91/34/821579134.db2.gz BGZJMIYZMSWLJX-SJORKVTESA-N 1 1 392.494 4.046 20 0 GIADMO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)nn1C(C)(C)C ZINC000044397679 821583796 /nfs/dbraw/zinc/58/37/96/821583796.db2.gz TUEDZOSVXMVWMO-UHFFFAOYSA-N 1 1 382.552 4.110 20 0 GIADMO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000180999593 821585045 /nfs/dbraw/zinc/58/50/45/821585045.db2.gz CIKWBOWLZDBRDJ-AWEZNQCLSA-N 1 1 394.346 4.136 20 0 GIADMO Cc1ccc([C@@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc2)cc1 ZINC000181034635 821604041 /nfs/dbraw/zinc/60/40/41/821604041.db2.gz IUWJXQFKMYHMKV-DEOSSOPVSA-N 1 1 375.516 4.210 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)on1 ZINC000181073770 821619130 /nfs/dbraw/zinc/61/91/30/821619130.db2.gz KBDFEQKULGNGSR-QGZVFWFLSA-N 1 1 394.471 4.088 20 0 GIADMO C[C@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181114408 821641395 /nfs/dbraw/zinc/64/13/95/821641395.db2.gz QPSVBRXXUYGZSQ-KGLIPLIRSA-N 1 1 394.393 4.279 20 0 GIADMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044786481 821661051 /nfs/dbraw/zinc/66/10/51/821661051.db2.gz GRQFTZLKHDZZCO-UHFFFAOYSA-N 1 1 391.284 4.439 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCC3)cc2C)c(OC)c1 ZINC000044831089 821669472 /nfs/dbraw/zinc/66/94/72/821669472.db2.gz AYSBINIHVGFDFH-INIZCTEOSA-N 1 1 383.492 4.052 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](C[C@@H]4CN(c5ccccc5)C(=O)O4)C3)nc2c1 ZINC000181162912 821673133 /nfs/dbraw/zinc/67/31/33/821673133.db2.gz WGMQPYNXTYYKOM-PKOBYXMFSA-N 1 1 390.487 4.076 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@H+](C[C@@H]4CN(c5ccccc5)C(=O)O4)C3)[nH]c2c1 ZINC000181162912 821673135 /nfs/dbraw/zinc/67/31/35/821673135.db2.gz WGMQPYNXTYYKOM-PKOBYXMFSA-N 1 1 390.487 4.076 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@@H+](C[C@@H]4CN(c5ccccc5)C(=O)O4)C3)[nH]c2c1 ZINC000181162912 821673139 /nfs/dbraw/zinc/67/31/39/821673139.db2.gz WGMQPYNXTYYKOM-PKOBYXMFSA-N 1 1 390.487 4.076 20 0 GIADMO O=C(NCCSCc1ccccc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044908999 821679607 /nfs/dbraw/zinc/67/96/07/821679607.db2.gz AIJOYVYSOGPHKO-LJQANCHMSA-N 1 1 386.536 4.087 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181187499 821685021 /nfs/dbraw/zinc/68/50/21/821685021.db2.gz NBYNLVUGTVPEDG-UTKZUKDTSA-N 1 1 393.487 4.393 20 0 GIADMO Cc1cc2ncc([C@H](C)NCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000181203004 821694949 /nfs/dbraw/zinc/69/49/49/821694949.db2.gz XDJCDTZIAULCJI-HKUYNNGSSA-N 1 1 391.563 4.429 20 0 GIADMO Cc1cc2ncc([C@H](C)NCc3ccccc3C[N@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000181203004 821694953 /nfs/dbraw/zinc/69/49/53/821694953.db2.gz XDJCDTZIAULCJI-HKUYNNGSSA-N 1 1 391.563 4.429 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000181274632 821728137 /nfs/dbraw/zinc/72/81/37/821728137.db2.gz MARQQKBUIAMXNF-ZDUSSCGKSA-N 1 1 399.397 4.427 20 0 GIADMO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1cccc(N2CCOC2=O)c1 ZINC000181305090 821745255 /nfs/dbraw/zinc/74/52/55/821745255.db2.gz KMIKKPVDJJGXDE-GFCCVEGCSA-N 1 1 393.256 4.396 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc(N2CCOC2=O)c1 ZINC000181315438 821753437 /nfs/dbraw/zinc/75/34/37/821753437.db2.gz SNYABFWLAZMEOJ-AWEZNQCLSA-N 1 1 381.407 4.288 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc(N2CCOC2=O)c1 ZINC000181314802 821753444 /nfs/dbraw/zinc/75/34/44/821753444.db2.gz WKADNGWCWKKWEE-AWEZNQCLSA-N 1 1 380.473 4.013 20 0 GIADMO Cn1c(C[N@H+](C)CCCCCc2cc(-c3ccccc3)n[nH]2)nnc1C1CCC1 ZINC000181316740 821754789 /nfs/dbraw/zinc/75/47/89/821754789.db2.gz HCBZQBGYPYIDIN-UHFFFAOYSA-N 1 1 392.551 4.318 20 0 GIADMO Cn1c(C[N@@H+](C)CCCCCc2cc(-c3ccccc3)n[nH]2)nnc1C1CCC1 ZINC000181316740 821754797 /nfs/dbraw/zinc/75/47/97/821754797.db2.gz HCBZQBGYPYIDIN-UHFFFAOYSA-N 1 1 392.551 4.318 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc[nH]c2=S)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181369357 821791755 /nfs/dbraw/zinc/79/17/55/821791755.db2.gz COGCVJOXJZJCAY-SJORKVTESA-N 1 1 393.915 4.117 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]c2=S)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181369357 821791760 /nfs/dbraw/zinc/79/17/60/821791760.db2.gz COGCVJOXJZJCAY-SJORKVTESA-N 1 1 393.915 4.117 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370246 821792381 /nfs/dbraw/zinc/79/23/81/821792381.db2.gz QONUYCGCHSNEAX-FPOVZHCZSA-N 1 1 390.886 4.067 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2ccc(O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370246 821792384 /nfs/dbraw/zinc/79/23/84/821792384.db2.gz QONUYCGCHSNEAX-FPOVZHCZSA-N 1 1 390.886 4.067 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000181373099 821793559 /nfs/dbraw/zinc/79/35/59/821793559.db2.gz HQQSLADFHXHKGD-CQSZACIVSA-N 1 1 390.325 4.408 20 0 GIADMO C[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1cccc(N2CCCC2=O)c1 ZINC000181394420 821804334 /nfs/dbraw/zinc/80/43/34/821804334.db2.gz XECRKMXBTBIRKH-CQSZACIVSA-N 1 1 384.430 4.409 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181415856 821813908 /nfs/dbraw/zinc/81/39/08/821813908.db2.gz PEBNTWZXZAQQAL-MRXNPFEDSA-N 1 1 380.488 4.266 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1)c1cccs1 ZINC000181417079 821815204 /nfs/dbraw/zinc/81/52/04/821815204.db2.gz ODGBUDPELGJFQO-ZWKOTPCHSA-N 1 1 386.565 4.420 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1)c1cccs1 ZINC000181417079 821815210 /nfs/dbraw/zinc/81/52/10/821815210.db2.gz ODGBUDPELGJFQO-ZWKOTPCHSA-N 1 1 386.565 4.420 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)c1nnnn1-c1ccccc1 ZINC000181420311 821817385 /nfs/dbraw/zinc/81/73/85/821817385.db2.gz YYEBLOHVGJPMAC-ACJLOTCBSA-N 1 1 398.308 4.153 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)CCC3)cc1 ZINC000181424078 821819587 /nfs/dbraw/zinc/81/95/87/821819587.db2.gz MVZOILDHWPCKHF-UGSOOPFHSA-N 1 1 382.533 4.448 20 0 GIADMO Cc1ccc([C@H]([NH2+][C@H](C)c2cccnc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181428258 821821953 /nfs/dbraw/zinc/82/19/53/821821953.db2.gz BYBKHOAHVZLIQJ-VGSWGCGISA-N 1 1 380.513 4.234 20 0 GIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000181438841 821827592 /nfs/dbraw/zinc/82/75/92/821827592.db2.gz NOVDXOSPOWOFPI-NRFANRHFSA-N 1 1 394.519 4.051 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 ZINC000181441950 821828534 /nfs/dbraw/zinc/82/85/34/821828534.db2.gz WWTLBMLNQGSXHI-HNNXBMFYSA-N 1 1 389.229 4.187 20 0 GIADMO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181446684 821830023 /nfs/dbraw/zinc/83/00/23/821830023.db2.gz PGQQICNBEAOSRW-GDBMZVCRSA-N 1 1 387.549 4.023 20 0 GIADMO Cc1ccc([C@@H](OC[C@@H](O)C[N@@H+](C)CCc2ccncc2)c2ccccc2)cc1 ZINC000181459977 821836462 /nfs/dbraw/zinc/83/64/62/821836462.db2.gz VMJAAIZYZPROKO-DQEYMECFSA-N 1 1 390.527 4.031 20 0 GIADMO C[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181461235 821837095 /nfs/dbraw/zinc/83/70/95/821837095.db2.gz WWSJKFIMKKBHFA-DOTOQJQBSA-N 1 1 398.469 4.287 20 0 GIADMO C[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C[C@H]1CCCC[C@@H]1O ZINC000181461859 821837292 /nfs/dbraw/zinc/83/72/92/821837292.db2.gz CISSHSUHCURCQT-ZBFHGGJFSA-N 1 1 379.298 4.087 20 0 GIADMO c1[nH]c([C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1-c1ccccc1 ZINC000181464203 821838229 /nfs/dbraw/zinc/83/82/29/821838229.db2.gz WLIDXVIYVOQVBV-GOSISDBHSA-N 1 1 388.519 4.260 20 0 GIADMO c1[nH]c([C@@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1-c1ccccc1 ZINC000181464203 821838234 /nfs/dbraw/zinc/83/82/34/821838234.db2.gz WLIDXVIYVOQVBV-GOSISDBHSA-N 1 1 388.519 4.260 20 0 GIADMO CC[N@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181475450 821842729 /nfs/dbraw/zinc/84/27/29/821842729.db2.gz STKUBWYKWRRRRQ-LJQANCHMSA-N 1 1 391.437 4.114 20 0 GIADMO CC[N@@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181475450 821842738 /nfs/dbraw/zinc/84/27/38/821842738.db2.gz STKUBWYKWRRRRQ-LJQANCHMSA-N 1 1 391.437 4.114 20 0 GIADMO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+](C)CCc1ccncc1)c1ccccc1 ZINC000181494019 821852352 /nfs/dbraw/zinc/85/23/52/821852352.db2.gz MHIKOUMDCTXZRH-ILBGXUMGSA-N 1 1 390.527 4.031 20 0 GIADMO CSC[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181495567 821852727 /nfs/dbraw/zinc/85/27/27/821852727.db2.gz LNGXGCKZDFRUPG-GFCCVEGCSA-N 1 1 375.365 4.073 20 0 GIADMO C[C@@H](NC(=O)CCCc1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181498666 821854989 /nfs/dbraw/zinc/85/49/89/821854989.db2.gz IFFCIOJIHKRBMH-IAGOWNOFSA-N 1 1 385.577 4.388 20 0 GIADMO CC(C)([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccccc1Br ZINC000181516540 821863166 /nfs/dbraw/zinc/86/31/66/821863166.db2.gz HUKBBENTYKBUJG-UHFFFAOYSA-N 1 1 380.257 4.480 20 0 GIADMO CCCc1ccc(C(=O)CCC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000181518428 821864446 /nfs/dbraw/zinc/86/44/46/821864446.db2.gz BJRLUBXNTAGHHJ-NQIIRXRSSA-N 1 1 384.564 4.371 20 0 GIADMO Cc1c(Br)cccc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181530950 821869130 /nfs/dbraw/zinc/86/91/30/821869130.db2.gz MJHZVKVBAUVFTJ-CABCVRRESA-N 1 1 379.342 4.140 20 0 GIADMO CCCCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181533459 821870665 /nfs/dbraw/zinc/87/06/65/821870665.db2.gz HASVANKQLLYCNR-HKUYNNGSSA-N 1 1 388.552 4.257 20 0 GIADMO Cn1c(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)nnc1C1CCC1 ZINC000181536999 821871823 /nfs/dbraw/zinc/87/18/23/821871823.db2.gz ZJDLZNSBTUQIPZ-UHFFFAOYSA-N 1 1 378.442 4.481 20 0 GIADMO Cc1cc(Br)ccc1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181540111 821873425 /nfs/dbraw/zinc/87/34/25/821873425.db2.gz PSGDHNQRXMDFHU-WBVHZDCISA-N 1 1 393.369 4.069 20 0 GIADMO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000181549058 821877088 /nfs/dbraw/zinc/87/70/88/821877088.db2.gz POAICJKSLKQRQO-AZUAARDMSA-N 1 1 394.563 4.180 20 0 GIADMO Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000181585860 821890659 /nfs/dbraw/zinc/89/06/59/821890659.db2.gz BGVKYLLCZDRMCY-UHFFFAOYSA-N 1 1 387.911 4.397 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[NH2+][C@@H](c2nc(C)cs2)C2CC2)C(C)C)cc1 ZINC000181592894 821894452 /nfs/dbraw/zinc/89/44/52/821894452.db2.gz OOXSRLNYJMWZTM-VQTJNVASSA-N 1 1 387.549 4.014 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)c(OC)c1 ZINC000181613684 821904555 /nfs/dbraw/zinc/90/45/55/821904555.db2.gz GNSRDOPQUSHYRB-HXUWFJFHSA-N 1 1 392.446 4.298 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C2CC2)n1 ZINC000181627653 821911335 /nfs/dbraw/zinc/91/13/35/821911335.db2.gz MHBZOJJXFHCIIJ-BTYIYWSLSA-N 1 1 383.561 4.248 20 0 GIADMO COCCCN1CCC([NH2+][C@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181660362 821928452 /nfs/dbraw/zinc/92/84/52/821928452.db2.gz BBUMKYGTOMAHRV-CQSZACIVSA-N 1 1 395.341 4.347 20 0 GIADMO C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181682315 821941881 /nfs/dbraw/zinc/94/18/81/821941881.db2.gz RZUKSVXFZNGAJX-JKSUJKDBSA-N 1 1 378.944 4.267 20 0 GIADMO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698507 821948393 /nfs/dbraw/zinc/94/83/93/821948393.db2.gz DMHFFMGAJONNGC-OXQOHEQNSA-N 1 1 392.971 4.387 20 0 GIADMO C[C@@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698507 821948399 /nfs/dbraw/zinc/94/83/99/821948399.db2.gz DMHFFMGAJONNGC-OXQOHEQNSA-N 1 1 392.971 4.387 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000181713142 821956385 /nfs/dbraw/zinc/95/63/85/821956385.db2.gz CBKDORVCBTWWPU-IBGZPJMESA-N 1 1 388.527 4.005 20 0 GIADMO Cc1ccc(C)c([C@H]2C[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)[C@H](C)CO2)c1 ZINC000181719683 821960138 /nfs/dbraw/zinc/96/01/38/821960138.db2.gz GIUZCCWGJBGGAE-DENIHFKCSA-N 1 1 386.580 4.350 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000181722256 821961489 /nfs/dbraw/zinc/96/14/89/821961489.db2.gz CFYWQAFLURLHLH-JKSUJKDBSA-N 1 1 385.474 4.010 20 0 GIADMO CCC[C@H]([NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)c1ccccc1 ZINC000181766711 821983695 /nfs/dbraw/zinc/98/36/95/821983695.db2.gz QISREGZMDWBLEG-KRWDZBQOSA-N 1 1 397.475 4.393 20 0 GIADMO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000181803600 821999375 /nfs/dbraw/zinc/99/93/75/821999375.db2.gz XSLUYEWNOUMIMH-LBPRGKRZSA-N 1 1 386.908 4.456 20 0 GIADMO C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(Oc2ccccc2)cc1 ZINC000181814081 822003530 /nfs/dbraw/zinc/00/35/30/822003530.db2.gz VNEJIYDYRUUBGT-INIZCTEOSA-N 1 1 395.528 4.417 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)n2)ccc1F ZINC000181908905 822034109 /nfs/dbraw/zinc/03/41/09/822034109.db2.gz AROQCGDPFJVPBD-CABCVRRESA-N 1 1 392.438 4.177 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000181930621 822038936 /nfs/dbraw/zinc/03/89/36/822038936.db2.gz MYKRPGMOSHQRPG-QRVBRYPASA-N 1 1 395.547 4.105 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000181982559 822052667 /nfs/dbraw/zinc/05/26/67/822052667.db2.gz JSBUJUWQKFVSDU-YWZLYKJASA-N 1 1 388.458 4.378 20 0 GIADMO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(F)c2F)cc1OCC ZINC000181983612 822052873 /nfs/dbraw/zinc/05/28/73/822052873.db2.gz GIQUMTYDSCXZIM-CYBMUJFWSA-N 1 1 378.419 4.052 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1F ZINC000182010932 822061350 /nfs/dbraw/zinc/06/13/50/822061350.db2.gz TYHPSOOFHQZAJY-CQSZACIVSA-N 1 1 383.442 4.499 20 0 GIADMO CCCOc1c(Br)cc(C[N@H+](C)Cc2cccnc2)cc1OC ZINC000182031688 822068240 /nfs/dbraw/zinc/06/82/40/822068240.db2.gz AGKZSLKJFKXHPD-UHFFFAOYSA-N 1 1 379.298 4.274 20 0 GIADMO CCCOc1c(Br)cc(C[N@@H+](C)Cc2cccnc2)cc1OC ZINC000182031688 822068250 /nfs/dbraw/zinc/06/82/50/822068250.db2.gz AGKZSLKJFKXHPD-UHFFFAOYSA-N 1 1 379.298 4.274 20 0 GIADMO C[S@](=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)c1ccccc1 ZINC000182109138 822097432 /nfs/dbraw/zinc/09/74/32/822097432.db2.gz PKZSATSMGQNXRW-IERDGZPVSA-N 1 1 386.742 4.312 20 0 GIADMO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)cc1 ZINC000182112011 822098418 /nfs/dbraw/zinc/09/84/18/822098418.db2.gz TYSGSIBRUFTTBF-GOSISDBHSA-N 1 1 376.504 4.325 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182213708 822150479 /nfs/dbraw/zinc/15/04/79/822150479.db2.gz PDCVSKSGKMYRRE-HNNXBMFYSA-N 1 1 380.410 4.266 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000182227083 822156344 /nfs/dbraw/zinc/15/63/44/822156344.db2.gz UCVCZPZLEMMJNS-INIZCTEOSA-N 1 1 377.868 4.369 20 0 GIADMO CCc1c2ccccc2oc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182261662 822175139 /nfs/dbraw/zinc/17/51/39/822175139.db2.gz RFWPJVMEPXXPDO-PXNSSMCTSA-N 1 1 378.516 4.413 20 0 GIADMO CCc1c2ccccc2oc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182261662 822175147 /nfs/dbraw/zinc/17/51/47/822175147.db2.gz RFWPJVMEPXXPDO-PXNSSMCTSA-N 1 1 378.516 4.413 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1Cl ZINC000182269335 822180696 /nfs/dbraw/zinc/18/06/96/822180696.db2.gz LMTFXENDFZALSA-PBHICJAKSA-N 1 1 379.331 4.411 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1Cl ZINC000182269335 822180700 /nfs/dbraw/zinc/18/07/00/822180700.db2.gz LMTFXENDFZALSA-PBHICJAKSA-N 1 1 379.331 4.411 20 0 GIADMO C[C@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc2c(c1)OCO2 ZINC000182286653 822187539 /nfs/dbraw/zinc/18/75/39/822187539.db2.gz YZMDFKVOGZKJJA-AWEZNQCLSA-N 1 1 379.435 4.080 20 0 GIADMO CC(C)[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2[nH]1 ZINC000182354717 822212693 /nfs/dbraw/zinc/21/26/93/822212693.db2.gz IRVDVMOFFFEDFR-FVJLSDCUSA-N 1 1 397.567 4.212 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1c(C)noc1C ZINC000182440875 822244165 /nfs/dbraw/zinc/24/41/65/822244165.db2.gz NNNBXWHJXUCUEX-BDJLRTHQSA-N 1 1 399.413 4.108 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182451050 822246934 /nfs/dbraw/zinc/24/69/34/822246934.db2.gz IXXCEURFBRINCV-UHOSZYNNSA-N 1 1 398.576 4.305 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](CC)c2c(C)noc2C)cc1 ZINC000182466966 822253985 /nfs/dbraw/zinc/25/39/85/822253985.db2.gz AGRZKQVWPCKFLT-VQTJNVASSA-N 1 1 385.508 4.095 20 0 GIADMO COCc1ccsc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000182476820 822257614 /nfs/dbraw/zinc/25/76/14/822257614.db2.gz HAVWVQTWAQRPSH-ICSRJNTNSA-N 1 1 384.545 4.021 20 0 GIADMO CC[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1c(C)noc1C ZINC000182505659 822272705 /nfs/dbraw/zinc/27/27/05/822272705.db2.gz BDQVXSGNBCIZSK-AWEZNQCLSA-N 1 1 391.320 4.113 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[N@H+]1C ZINC000177992214 822273165 /nfs/dbraw/zinc/27/31/65/822273165.db2.gz CRGVCYYDHFNEEY-UWVGGRQHSA-N 1 1 392.700 4.188 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C)[C@H](C)C3CCCCC3)CC2)cs1 ZINC000177998259 822276030 /nfs/dbraw/zinc/27/60/30/822276030.db2.gz BWJREWGNFCPZKM-HOTGVXAUSA-N 1 1 377.598 4.385 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)C1 ZINC000178014782 822283357 /nfs/dbraw/zinc/28/33/57/822283357.db2.gz GYAKFFRQCAUXSW-SFHVURJKSA-N 1 1 394.519 4.053 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)C1 ZINC000178014800 822283397 /nfs/dbraw/zinc/28/33/97/822283397.db2.gz GYAKFFRQCAUXSW-GOSISDBHSA-N 1 1 394.519 4.053 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCc3ccccc32)C1 ZINC000178019161 822284302 /nfs/dbraw/zinc/28/43/02/822284302.db2.gz FZWSLPQQONNKRC-IBGZPJMESA-N 1 1 392.547 4.055 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)C1 ZINC000178025448 822288133 /nfs/dbraw/zinc/28/81/33/822288133.db2.gz UDHCTJIIUVCKCM-QGZVFWFLSA-N 1 1 385.483 4.210 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)C1 ZINC000178040843 822294916 /nfs/dbraw/zinc/29/49/16/822294916.db2.gz GTIXQEUVHSXPQL-SFHVURJKSA-N 1 1 382.508 4.296 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182559096 822301803 /nfs/dbraw/zinc/30/18/03/822301803.db2.gz GVZQDNFMSGRVGW-AUSJPIAWSA-N 1 1 375.944 4.280 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1SC ZINC000178053468 822301847 /nfs/dbraw/zinc/30/18/47/822301847.db2.gz FYQDMPJVTLVUQC-GOSISDBHSA-N 1 1 384.545 4.059 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1)c1ccccc1 ZINC000178061289 822305048 /nfs/dbraw/zinc/30/50/48/822305048.db2.gz ICWBRKHQXRWALD-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1)c1ccccc1 ZINC000178061289 822305058 /nfs/dbraw/zinc/30/50/58/822305058.db2.gz ICWBRKHQXRWALD-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000182591416 822314678 /nfs/dbraw/zinc/31/46/78/822314678.db2.gz RPTAPCXYRLCLGZ-CVEARBPZSA-N 1 1 381.701 4.370 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182601154 822318606 /nfs/dbraw/zinc/31/86/06/822318606.db2.gz SDDSRAHXNYPUSS-LJQANCHMSA-N 1 1 388.389 4.120 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182601154 822318617 /nfs/dbraw/zinc/31/86/17/822318617.db2.gz SDDSRAHXNYPUSS-LJQANCHMSA-N 1 1 388.389 4.120 20 0 GIADMO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182608710 822320903 /nfs/dbraw/zinc/32/09/03/822320903.db2.gz NWEPVGWSIMOUNT-HARLFGEKSA-N 1 1 392.547 4.123 20 0 GIADMO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1cccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182609517 822321282 /nfs/dbraw/zinc/32/12/82/822321282.db2.gz YZLUOZLHFZJROF-HARLFGEKSA-N 1 1 392.547 4.123 20 0 GIADMO C[C@@H](CN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000182612391 822322358 /nfs/dbraw/zinc/32/23/58/822322358.db2.gz KPQDPGDQPWVGQK-OHSMVPPVSA-N 1 1 398.576 4.084 20 0 GIADMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1 ZINC000182614958 822323425 /nfs/dbraw/zinc/32/34/25/822323425.db2.gz SZSXKRXCQHLUMP-GOSISDBHSA-N 1 1 378.394 4.108 20 0 GIADMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1 ZINC000182614958 822323438 /nfs/dbraw/zinc/32/34/38/822323438.db2.gz SZSXKRXCQHLUMP-GOSISDBHSA-N 1 1 378.394 4.108 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-c2ncco2)cc1)c1ccccc1Cl ZINC000182621486 822326308 /nfs/dbraw/zinc/32/63/08/822326308.db2.gz JEOAHLHSKHNCCP-SFHVURJKSA-N 1 1 384.867 4.419 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000178131655 822328706 /nfs/dbraw/zinc/32/87/06/822328706.db2.gz HCWKINYBEQBNPY-JPYJTQIMSA-N 1 1 393.531 4.074 20 0 GIADMO C[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182628091 822329330 /nfs/dbraw/zinc/32/93/30/822329330.db2.gz WFRDPXDUVFKVGT-HKUYNNGSSA-N 1 1 382.552 4.053 20 0 GIADMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](Cc1ccc(CO)cc1)CC2 ZINC000182634296 822332598 /nfs/dbraw/zinc/33/25/98/822332598.db2.gz WUVZNEJIZBFDDF-HSZRJFAPSA-N 1 1 395.524 4.405 20 0 GIADMO Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1NC(=O)c1ccco1 ZINC000178146332 822332920 /nfs/dbraw/zinc/33/29/20/822332920.db2.gz PIHKYTHOEOCWMG-KRWDZBQOSA-N 1 1 395.503 4.433 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000178151388 822334850 /nfs/dbraw/zinc/33/48/50/822334850.db2.gz IYIJIVQDGJZXOA-QUCCMNQESA-N 1 1 386.536 4.146 20 0 GIADMO CC[C@H](NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1F ZINC000182651867 822339780 /nfs/dbraw/zinc/33/97/80/822339780.db2.gz SOGPGIKOJLFZNK-SXGZJXTBSA-N 1 1 379.495 4.368 20 0 GIADMO CCC(CC)c1cc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)on1 ZINC000182671049 822346024 /nfs/dbraw/zinc/34/60/24/822346024.db2.gz PRYDPXQRWSPMLC-RDJZCZTQSA-N 1 1 376.545 4.030 20 0 GIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000178190344 822347823 /nfs/dbraw/zinc/34/78/23/822347823.db2.gz DHWCNAODXKKIJH-OAQYLSRUSA-N 1 1 393.462 4.148 20 0 GIADMO COC[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691938 822352719 /nfs/dbraw/zinc/35/27/19/822352719.db2.gz AMLPGDFNPVAXRX-QRWLVFNGSA-N 1 1 380.504 4.216 20 0 GIADMO COC[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691938 822352730 /nfs/dbraw/zinc/35/27/30/822352730.db2.gz AMLPGDFNPVAXRX-QRWLVFNGSA-N 1 1 380.504 4.216 20 0 GIADMO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)cc1C ZINC000453411456 822359041 /nfs/dbraw/zinc/35/90/41/822359041.db2.gz AMVQBJGZSQZEFB-REWPJTCUSA-N 1 1 382.454 4.259 20 0 GIADMO COCCC[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000182733536 822359460 /nfs/dbraw/zinc/35/94/60/822359460.db2.gz ZNQPHFISTSTKLV-CQSZACIVSA-N 1 1 387.351 4.137 20 0 GIADMO C[C@H](N1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000178261790 822360487 /nfs/dbraw/zinc/36/04/87/822360487.db2.gz 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Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C)c1 ZINC000182804207 822370311 /nfs/dbraw/zinc/37/03/11/822370311.db2.gz WSTYPLZMWNGHKB-HOTGVXAUSA-N 1 1 394.441 4.183 20 0 GIADMO C[C@@H](NC(=O)CN1CC[N@@H+](C)CC12CCCCC2)c1ccc(Cl)c(Cl)c1 ZINC000178403921 822375887 /nfs/dbraw/zinc/37/58/87/822375887.db2.gz AMIVGHPBUPELSA-OAHLLOKOSA-N 1 1 398.378 4.121 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182850080 822378404 /nfs/dbraw/zinc/37/84/04/822378404.db2.gz IMFXPWKMOADCHG-CABCVRRESA-N 1 1 381.923 4.274 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(C)c1 ZINC000182855575 822379759 /nfs/dbraw/zinc/37/97/59/822379759.db2.gz SSYIYRIXIDSKHJ-MRXNPFEDSA-N 1 1 394.441 4.103 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(C)c1 ZINC000182855575 822379763 /nfs/dbraw/zinc/37/97/63/822379763.db2.gz SSYIYRIXIDSKHJ-MRXNPFEDSA-N 1 1 394.441 4.103 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc21 ZINC000178449289 822380097 /nfs/dbraw/zinc/38/00/97/822380097.db2.gz QAEKPWOKTXAKPD-FXAWDEMLSA-N 1 1 381.524 4.098 20 0 GIADMO C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc2c(c1)CCC(=O)N2 ZINC000178477788 822383140 /nfs/dbraw/zinc/38/31/40/822383140.db2.gz OJXUMCIYUVWRIW-INIZCTEOSA-N 1 1 386.499 4.097 20 0 GIADMO C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182874124 822383742 /nfs/dbraw/zinc/38/37/42/822383742.db2.gz UIUVXCPIIXHVFH-ICSRJNTNSA-N 1 1 390.527 4.300 20 0 GIADMO Cc1cc(Br)c(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)s1 ZINC000453565516 822385178 /nfs/dbraw/zinc/38/51/78/822385178.db2.gz DBAZYBAYNMNJHH-UHFFFAOYSA-N 1 1 395.244 4.445 20 0 GIADMO O[C@H](COCc1cccs1)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000178508758 822386433 /nfs/dbraw/zinc/38/64/33/822386433.db2.gz HAKQTWJZTOELFP-KRWDZBQOSA-N 1 1 386.492 4.035 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000045430587 822387229 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394.382 4.168 20 0 GIADMO Cc1cc(Br)c(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)s1 ZINC000453590150 822389709 /nfs/dbraw/zinc/38/97/09/822389709.db2.gz GQJHWHWHNKQTEH-MRXNPFEDSA-N 1 1 394.382 4.168 20 0 GIADMO Cc1cc(Br)c(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)s1 ZINC000453590150 822389713 /nfs/dbraw/zinc/38/97/13/822389713.db2.gz GQJHWHWHNKQTEH-MRXNPFEDSA-N 1 1 394.382 4.168 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182910906 822391099 /nfs/dbraw/zinc/39/10/99/822391099.db2.gz UATHESBAWBUUCB-PMACEKPBSA-N 1 1 398.595 4.081 20 0 GIADMO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)ccc1-n1cncn1 ZINC000453604577 822391729 /nfs/dbraw/zinc/39/17/29/822391729.db2.gz AYIKRXTXMUWYBC-IBGZPJMESA-N 1 1 398.308 4.070 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)ccc1-n1cncn1 ZINC000453604577 822391732 /nfs/dbraw/zinc/39/17/32/822391732.db2.gz AYIKRXTXMUWYBC-IBGZPJMESA-N 1 1 398.308 4.070 20 0 GIADMO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000182916094 822392077 /nfs/dbraw/zinc/39/20/77/822392077.db2.gz RRUQNRLJCTYXKJ-MOPGFXCFSA-N 1 1 395.551 4.264 20 0 GIADMO CON1CCC([N@@H+](C)Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000453608771 822392370 /nfs/dbraw/zinc/39/23/70/822392370.db2.gz URIUBVOSPGLHNI-UHFFFAOYSA-N 1 1 396.354 4.030 20 0 GIADMO CC(C)[NH+]1CCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 ZINC000045522092 822393071 /nfs/dbraw/zinc/39/30/71/822393071.db2.gz PYBVZSHMRIFDOF-UHFFFAOYSA-N 1 1 395.528 4.286 20 0 GIADMO CC(=O)Nc1cccc(-n2c(SCC[C@H]3CCCC[N@@H+]3C)nnc2C2CC2)c1 ZINC000045537266 822394520 /nfs/dbraw/zinc/39/45/20/822394520.db2.gz GAZHPUZDFWMXEN-GOSISDBHSA-N 1 1 399.564 4.070 20 0 GIADMO Cc1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C(C)C)n1 ZINC000178600415 822395272 /nfs/dbraw/zinc/39/52/72/822395272.db2.gz IOOFHDOVFOYLAA-UNMCSNQZSA-N 1 1 392.547 4.035 20 0 GIADMO COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccnc(Cl)c2)c1 ZINC000178614511 822396221 /nfs/dbraw/zinc/39/62/21/822396221.db2.gz VQPNLVZZRAECSK-NRFANRHFSA-N 1 1 382.891 4.479 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1N[C@@H](C)[C@@H]1CCOC1)CC2 ZINC000182968927 822401620 /nfs/dbraw/zinc/40/16/20/822401620.db2.gz JDHXOZZCGKKLIJ-FXAWDEMLSA-N 1 1 396.531 4.099 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000178722427 822405614 /nfs/dbraw/zinc/40/56/14/822405614.db2.gz LYVXGAKZIORXNY-KEYYUXOJSA-N 1 1 387.446 4.018 20 0 GIADMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000045697090 822406088 /nfs/dbraw/zinc/40/60/88/822406088.db2.gz RTIJKXPQGLFTSN-UHFFFAOYSA-N 1 1 379.273 4.357 20 0 GIADMO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000182989775 822406659 /nfs/dbraw/zinc/40/66/59/822406659.db2.gz XXZVMEWOTTYUCH-JOCHJYFZSA-N 1 1 375.520 4.356 20 0 GIADMO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2Cc2cn(Cc3cccnc3)nn2)cc1 ZINC000182989775 822406662 /nfs/dbraw/zinc/40/66/62/822406662.db2.gz XXZVMEWOTTYUCH-JOCHJYFZSA-N 1 1 375.520 4.356 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000045716418 822407511 /nfs/dbraw/zinc/40/75/11/822407511.db2.gz KLAHGGIIGSWAPX-HNNXBMFYSA-N 1 1 391.284 4.439 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000045716418 822407513 /nfs/dbraw/zinc/40/75/13/822407513.db2.gz KLAHGGIIGSWAPX-HNNXBMFYSA-N 1 1 391.284 4.439 20 0 GIADMO CC(C)CN(Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S)C1CC1 ZINC000045722124 822408316 /nfs/dbraw/zinc/40/83/16/822408316.db2.gz WYHBIDJKBZDSIB-HNNXBMFYSA-N 1 1 391.560 4.243 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000183010894 822410848 /nfs/dbraw/zinc/41/08/48/822410848.db2.gz HWMFCNXYQDOSDA-PGRDOPGGSA-N 1 1 380.536 4.215 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000183010938 822410897 /nfs/dbraw/zinc/41/08/97/822410897.db2.gz HWMFCNXYQDOSDA-AVRDEDQJSA-N 1 1 380.536 4.215 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc([S@@](C)=O)cc1 ZINC000178805049 822412246 /nfs/dbraw/zinc/41/22/46/822412246.db2.gz ACTWIMJURGFIFA-RUZDIDTESA-N 1 1 399.343 4.191 20 0 GIADMO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000045780411 822412996 /nfs/dbraw/zinc/41/29/96/822412996.db2.gz PMHNPRNMHZTOFV-LJQANCHMSA-N 1 1 395.547 4.411 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nccs1 ZINC000183026738 822413686 /nfs/dbraw/zinc/41/36/86/822413686.db2.gz PHVUETCLAWZIGL-DOMZBBRYSA-N 1 1 383.439 4.004 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccncc3)cc2)C1 ZINC000045787785 822413769 /nfs/dbraw/zinc/41/37/69/822413769.db2.gz HMWGGOSBORHQLI-AUSIDOKSSA-N 1 1 392.547 4.360 20 0 GIADMO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC000183027774 822413980 /nfs/dbraw/zinc/41/39/80/822413980.db2.gz VMSAMWTYQCGFES-HNNXBMFYSA-N 1 1 390.528 4.439 20 0 GIADMO CC(C)c1cnc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC000183027774 822413983 /nfs/dbraw/zinc/41/39/83/822413983.db2.gz VMSAMWTYQCGFES-HNNXBMFYSA-N 1 1 390.528 4.439 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C2CCCCC2)n1 ZINC000183032066 822414594 /nfs/dbraw/zinc/41/45/94/822414594.db2.gz JSLUMUDRWIDSQX-IBGZPJMESA-N 1 1 394.563 4.110 20 0 GIADMO O=C1C[C@@H](c2ccccc2)N1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000045802025 822414985 /nfs/dbraw/zinc/41/49/85/822414985.db2.gz LHWONSUSIWPWHO-IBGZPJMESA-N 1 1 377.513 4.407 20 0 GIADMO CC(C)=CCC[C@@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000453842975 822415791 /nfs/dbraw/zinc/41/57/91/822415791.db2.gz AUPPXDVMTGOHOC-MSOLQXFVSA-N 1 1 385.552 4.236 20 0 GIADMO CC(C)=CCC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000453848113 822416191 /nfs/dbraw/zinc/41/61/91/822416191.db2.gz KJABTDZTQTXNEQ-GOSISDBHSA-N 1 1 396.535 4.244 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000183048338 822417213 /nfs/dbraw/zinc/41/72/13/822417213.db2.gz XQLPYOADVVSINX-SELNLUPBSA-N 1 1 391.559 4.349 20 0 GIADMO c1nn(-c2cc[nH+]cc2)c2ncnc(Nc3nc4c(s3)CCc3ccccc3-4)c12 ZINC000178861957 822417372 /nfs/dbraw/zinc/41/73/72/822417372.db2.gz AYGWNQSUBVGIOB-UHFFFAOYSA-N 1 1 397.467 4.176 20 0 GIADMO C[C@@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000183073899 822420942 /nfs/dbraw/zinc/42/09/42/822420942.db2.gz DQSHXOJEWOZXNR-QTPWYVRQSA-N 1 1 399.343 4.030 20 0 GIADMO C[C@H](NCc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101488 822424523 /nfs/dbraw/zinc/42/45/23/822424523.db2.gz DJMKOMBEJBSSBG-PZJWPPBQSA-N 1 1 379.548 4.403 20 0 GIADMO C[C@H](NCc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101488 822424524 /nfs/dbraw/zinc/42/45/24/822424524.db2.gz DJMKOMBEJBSSBG-PZJWPPBQSA-N 1 1 379.548 4.403 20 0 GIADMO C[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104201 822424894 /nfs/dbraw/zinc/42/48/94/822424894.db2.gz MPGQOOMIHNDULT-NVXWUHKLSA-N 1 1 399.560 4.281 20 0 GIADMO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C[S@@](C)=O)c3ccccc3)c2cc1C(C)C ZINC000183128234 822427923 /nfs/dbraw/zinc/42/79/23/822427923.db2.gz LLOONGGMKDTGLM-RBTNQOKQSA-N 1 1 397.540 4.434 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000045980069 822429176 /nfs/dbraw/zinc/42/91/76/822429176.db2.gz HELHMXLZPKUKDP-QGZVFWFLSA-N 1 1 394.519 4.341 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179008212 822429253 /nfs/dbraw/zinc/42/92/53/822429253.db2.gz WZGPGXSTOVOMLR-GFCCVEGCSA-N 1 1 387.332 4.095 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1-n1cccn1 ZINC000183139350 822429600 /nfs/dbraw/zinc/42/96/00/822429600.db2.gz KNUZVXYMVVCETQ-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000454152853 822433466 /nfs/dbraw/zinc/43/34/66/822433466.db2.gz DYAZRIKUDWXTTP-UHFFFAOYSA-N 1 1 396.535 4.017 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cccc3cnccc32)CC1 ZINC000183163948 822433964 /nfs/dbraw/zinc/43/39/64/822433964.db2.gz UXRVPZHUCGZKJO-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454170783 822435328 /nfs/dbraw/zinc/43/53/28/822435328.db2.gz YFFIRTNNSNPWNA-VNHYZAJKSA-N 1 1 377.941 4.427 20 0 GIADMO Cc1sc2nc([C@@H](C)[NH2+][C@@H](C)c3ccccc3-n3cccn3)nc(N)c2c1C ZINC000183176698 822436109 /nfs/dbraw/zinc/43/61/09/822436109.db2.gz LKPYCQDNZGQEBL-UONOGXRCSA-N 1 1 392.532 4.488 20 0 GIADMO O=C(O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnc(-c2ccncc2)s1 ZINC000183178516 822436339 /nfs/dbraw/zinc/43/63/39/822436339.db2.gz ROAIYLATOXTGQS-GOSISDBHSA-N 1 1 379.485 4.027 20 0 GIADMO O=C(O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnc(-c2ccncc2)s1 ZINC000183178516 822436342 /nfs/dbraw/zinc/43/63/42/822436342.db2.gz ROAIYLATOXTGQS-GOSISDBHSA-N 1 1 379.485 4.027 20 0 GIADMO COCc1ccccc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000046031366 822437089 /nfs/dbraw/zinc/43/70/89/822437089.db2.gz JCRLJLZIDKQFCS-SFHVURJKSA-N 1 1 381.520 4.387 20 0 GIADMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191111 822438666 /nfs/dbraw/zinc/43/86/66/822438666.db2.gz GDXWTIORQFIZDL-IRFCIJBXSA-N 1 1 396.579 4.303 20 0 GIADMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191111 822438669 /nfs/dbraw/zinc/43/86/69/822438669.db2.gz GDXWTIORQFIZDL-IRFCIJBXSA-N 1 1 396.579 4.303 20 0 GIADMO C[NH+](C)[C@H](C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000179117525 822440151 /nfs/dbraw/zinc/44/01/51/822440151.db2.gz XAZKDSCYBANSHC-ZBFHGGJFSA-N 1 1 397.466 4.171 20 0 GIADMO C[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1csc2ccccc12 ZINC000046089686 822440581 /nfs/dbraw/zinc/44/05/81/822440581.db2.gz RBTJSDBIXYJJIY-UHFFFAOYSA-N 1 1 396.541 4.278 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1csc2ccccc12 ZINC000046089686 822440584 /nfs/dbraw/zinc/44/05/84/822440584.db2.gz RBTJSDBIXYJJIY-UHFFFAOYSA-N 1 1 396.541 4.278 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)cc2)C[C@H](C)O1 ZINC000046098188 822440776 /nfs/dbraw/zinc/44/07/76/822440776.db2.gz KMLPXLLJJOKTDN-HOTGVXAUSA-N 1 1 396.487 4.055 20 0 GIADMO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000046129814 822442949 /nfs/dbraw/zinc/44/29/49/822442949.db2.gz JGXYJGVLDGRCLY-CALCHBBNSA-N 1 1 398.551 4.111 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](c3ccccc3C)C(C)C)nc2c1 ZINC000183215704 822442980 /nfs/dbraw/zinc/44/29/80/822442980.db2.gz XIEKXFVQIVOOQR-OAQYLSRUSA-N 1 1 386.517 4.417 20 0 GIADMO C[C@@H](CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)c1ccc(F)cc1F ZINC000179148821 822443925 /nfs/dbraw/zinc/44/39/25/822443925.db2.gz FMCVQCFHSQIZBO-INIZCTEOSA-N 1 1 387.474 4.239 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Br)cc3Cl)C2)C1 ZINC000454256079 822444479 /nfs/dbraw/zinc/44/44/79/822444479.db2.gz OVOMJETUFDDMJK-MRXNPFEDSA-N 1 1 386.721 4.052 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000183231751 822445108 /nfs/dbraw/zinc/44/51/08/822445108.db2.gz ASKPIIZVJMSEGQ-UXHICEINSA-N 1 1 388.870 4.196 20 0 GIADMO c1cc(COc2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)ccn1 ZINC000179173704 822447022 /nfs/dbraw/zinc/44/70/22/822447022.db2.gz ARHPNMLTNXALLF-QPPBQGQZSA-N 1 1 377.532 4.109 20 0 GIADMO c1cc(COc2ccc(C[N@@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)cc2)ccn1 ZINC000179173704 822447026 /nfs/dbraw/zinc/44/70/26/822447026.db2.gz ARHPNMLTNXALLF-QPPBQGQZSA-N 1 1 377.532 4.109 20 0 GIADMO c1cc(COc2ccc(C[N@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)cc2)ccn1 ZINC000179173704 822447029 /nfs/dbraw/zinc/44/70/29/822447029.db2.gz ARHPNMLTNXALLF-QPPBQGQZSA-N 1 1 377.532 4.109 20 0 GIADMO c1cc(COc2ccc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)ccn1 ZINC000179173704 822447031 /nfs/dbraw/zinc/44/70/31/822447031.db2.gz ARHPNMLTNXALLF-QPPBQGQZSA-N 1 1 377.532 4.109 20 0 GIADMO c1cc(COc2ccc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)ccn1 ZINC000179173704 822447034 /nfs/dbraw/zinc/44/70/34/822447034.db2.gz ARHPNMLTNXALLF-QPPBQGQZSA-N 1 1 377.532 4.109 20 0 GIADMO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000183252172 822448548 /nfs/dbraw/zinc/44/85/48/822448548.db2.gz SJYZSZKVNRGXIV-FQEVSTJZSA-N 1 1 378.451 4.052 20 0 GIADMO C[C@H](NC[C@H](c1cccs1)[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179189070 822448891 /nfs/dbraw/zinc/44/88/91/822448891.db2.gz JYMSGAZJARQENX-NWDGAFQWSA-N 1 1 386.384 4.455 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(Br)c2Cl)C1 ZINC000183274391 822452194 /nfs/dbraw/zinc/45/21/94/822452194.db2.gz PCESGRTVLHDVIW-ZDUSSCGKSA-N 1 1 387.749 4.344 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ncc(Br)s1 ZINC000179214067 822452460 /nfs/dbraw/zinc/45/24/60/822452460.db2.gz NTKMWINBHXCGLY-WDEREUQCSA-N 1 1 396.310 4.274 20 0 GIADMO CC[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C(F)F ZINC000454291682 822452559 /nfs/dbraw/zinc/45/25/59/822452559.db2.gz QTDQRVOPGOBDHT-HNNXBMFYSA-N 1 1 393.400 4.013 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnc2ccc(F)cc2c1 ZINC000179217570 822452849 /nfs/dbraw/zinc/45/28/49/822452849.db2.gz KQMVNLDVNXYECF-OAHLLOKOSA-N 1 1 383.492 4.077 20 0 GIADMO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ncc(Br)s2)c1 ZINC000179231799 822454658 /nfs/dbraw/zinc/45/46/58/822454658.db2.gz FQDQDOLBMNRJFO-FZMZJTMJSA-N 1 1 385.327 4.077 20 0 GIADMO C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000179245437 822456690 /nfs/dbraw/zinc/45/66/90/822456690.db2.gz MWBSGXLSEOGFRI-INIZCTEOSA-N 1 1 393.369 4.105 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000454315643 822457135 /nfs/dbraw/zinc/45/71/35/822457135.db2.gz GXMUSQPMEWAWNY-FCGDIQPGSA-N 1 1 393.597 4.026 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCc3c([nH]c4ccccc43)C2)cc1 ZINC000179264884 822458927 /nfs/dbraw/zinc/45/89/27/822458927.db2.gz QMVMWGQAOHHCLF-MRXNPFEDSA-N 1 1 399.498 4.491 20 0 GIADMO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cnn1C ZINC000183330042 822459851 /nfs/dbraw/zinc/45/98/51/822459851.db2.gz RPOMHPWDFINOBU-OAHLLOKOSA-N 1 1 397.548 4.067 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc([C@@H](C)C(F)(F)F)cc3)sc2C1 ZINC000454372460 822464382 /nfs/dbraw/zinc/46/43/82/822464382.db2.gz FCRVTBREUARNTG-LLVKDONJSA-N 1 1 383.439 4.439 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc([C@@H](C)C(F)(F)F)cc3)sc2C1 ZINC000454372460 822464384 /nfs/dbraw/zinc/46/43/84/822464384.db2.gz FCRVTBREUARNTG-LLVKDONJSA-N 1 1 383.439 4.439 20 0 GIADMO Cc1cnc2c(c1)N(C(=O)c1cccc(C[N@@H+](C)Cc3ccccc3)c1)CCO2 ZINC000179343178 822468445 /nfs/dbraw/zinc/46/84/45/822468445.db2.gz QAMDTWDLAJEMPD-UHFFFAOYSA-N 1 1 387.483 4.061 20 0 GIADMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ncc(C(C)C)s2)cc1 ZINC000183401398 822468517 /nfs/dbraw/zinc/46/85/17/822468517.db2.gz KGMANVGFSBSXHU-OAHLLOKOSA-N 1 1 395.594 4.148 20 0 GIADMO Fc1ccc([C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c2ccccc2)nc1 ZINC000183405295 822469120 /nfs/dbraw/zinc/46/91/20/822469120.db2.gz IPKAYWXXLODPKB-JOCHJYFZSA-N 1 1 376.410 4.425 20 0 GIADMO Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046404315 822470632 /nfs/dbraw/zinc/47/06/32/822470632.db2.gz OHFXHEJANZGDFQ-UHFFFAOYSA-N 1 1 381.451 4.275 20 0 GIADMO CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000046404364 822470719 /nfs/dbraw/zinc/47/07/19/822470719.db2.gz MORHBRNBQWWRMQ-UHFFFAOYSA-N 1 1 389.952 4.456 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)C[C@H](C)O1 ZINC000046419107 822471660 /nfs/dbraw/zinc/47/16/60/822471660.db2.gz CHZJRXVHHUUUKV-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)C[C@H](C)O1 ZINC000046419107 822471662 /nfs/dbraw/zinc/47/16/62/822471662.db2.gz CHZJRXVHHUUUKV-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000046436053 822472815 /nfs/dbraw/zinc/47/28/15/822472815.db2.gz LMGMMDQTKLGCDR-IYBDPMFKSA-N 1 1 395.528 4.182 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000046436053 822472818 /nfs/dbraw/zinc/47/28/18/822472818.db2.gz LMGMMDQTKLGCDR-IYBDPMFKSA-N 1 1 395.528 4.182 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccccc3N3CCc4ccccc43)C2)C1 ZINC000454424210 822473252 /nfs/dbraw/zinc/47/32/52/822473252.db2.gz HIJBDQIJZAJHNM-DEOSSOPVSA-N 1 1 390.531 4.330 20 0 GIADMO COc1ccccc1C[N@@H+](CCC(=O)Nc1cc(C)on1)Cc1cccs1 ZINC000046437754 822473310 /nfs/dbraw/zinc/47/33/10/822473310.db2.gz PCMYOLVNOFRTFU-UHFFFAOYSA-N 1 1 385.489 4.084 20 0 GIADMO Cc1occc1CN(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179383213 822474706 /nfs/dbraw/zinc/47/47/06/822474706.db2.gz OOOWCAQHVLLTMW-DNVCBOLYSA-N 1 1 393.890 4.215 20 0 GIADMO CSCCc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183459014 822478119 /nfs/dbraw/zinc/47/81/19/822478119.db2.gz CQHRGGQUUKPSTD-FUHWJXTLSA-N 1 1 375.582 4.367 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cs1)c1cccc(C)c1C ZINC000179424609 822480556 /nfs/dbraw/zinc/48/05/56/822480556.db2.gz LUPIDAKWGZVWAB-BEFAXECRSA-N 1 1 387.549 4.180 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cs1)c1cccc(C)c1C ZINC000179424609 822480557 /nfs/dbraw/zinc/48/05/57/822480557.db2.gz LUPIDAKWGZVWAB-BEFAXECRSA-N 1 1 387.549 4.180 20 0 GIADMO O[C@@H](C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1)c1ccco1 ZINC000179437872 822482790 /nfs/dbraw/zinc/48/27/90/822482790.db2.gz SMLWKGGZMXTDQH-QHCPKHFHSA-N 1 1 387.483 4.260 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183486702 822484014 /nfs/dbraw/zinc/48/40/14/822484014.db2.gz WYVABGMJPVOZNZ-HUUCEWRRSA-N 1 1 378.948 4.181 20 0 GIADMO Cc1cc2ncc([C@H](C)NC3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)c(C)n2n1 ZINC000179450753 822485006 /nfs/dbraw/zinc/48/50/06/822485006.db2.gz FXOKDTVNCSPILU-LNLFQRSKSA-N 1 1 391.563 4.153 20 0 GIADMO Cc1cc2ncc([C@H](C)[NH2+]C3[C@@H](C)CN(Cc4ccccc4)C[C@@H]3C)c(C)n2n1 ZINC000179450753 822485007 /nfs/dbraw/zinc/48/50/07/822485007.db2.gz FXOKDTVNCSPILU-LNLFQRSKSA-N 1 1 391.563 4.153 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)n1 ZINC000183493705 822485228 /nfs/dbraw/zinc/48/52/28/822485228.db2.gz RBXOTESEBFCZKL-HNAYVOBHSA-N 1 1 384.549 4.120 20 0 GIADMO Cc1ccc(CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)nc1 ZINC000454505487 822486535 /nfs/dbraw/zinc/48/65/35/822486535.db2.gz KBWMHJKEHNXHCR-UHFFFAOYSA-N 1 1 377.492 4.122 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)c2cc[nH]c(=O)c2)c1 ZINC000454513737 822488064 /nfs/dbraw/zinc/48/80/64/822488064.db2.gz RBSKDDVEMOUYMJ-OAHLLOKOSA-N 1 1 379.464 4.038 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)c2cc[nH]c(=O)c2)c1 ZINC000454513736 822488157 /nfs/dbraw/zinc/48/81/57/822488157.db2.gz RBSKDDVEMOUYMJ-HNNXBMFYSA-N 1 1 379.464 4.038 20 0 GIADMO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc(OC)cc3)n2)cc1 ZINC000046582320 822488321 /nfs/dbraw/zinc/48/83/21/822488321.db2.gz VDKDCTCZBJLFEY-FQEVSTJZSA-N 1 1 379.460 4.481 20 0 GIADMO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc(OC)cc3)n2)cc1 ZINC000046582320 822488322 /nfs/dbraw/zinc/48/83/22/822488322.db2.gz VDKDCTCZBJLFEY-FQEVSTJZSA-N 1 1 379.460 4.481 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000179490975 822490253 /nfs/dbraw/zinc/49/02/53/822490253.db2.gz YYRJFJQSXMHJIR-MRXNPFEDSA-N 1 1 395.532 4.194 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000179490975 822490255 /nfs/dbraw/zinc/49/02/55/822490255.db2.gz YYRJFJQSXMHJIR-MRXNPFEDSA-N 1 1 395.532 4.194 20 0 GIADMO Cc1c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1F ZINC000183534628 822491279 /nfs/dbraw/zinc/49/12/79/822491279.db2.gz SKZXMTUKWZAIQC-DOTOQJQBSA-N 1 1 399.514 4.094 20 0 GIADMO Cc1c(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1F ZINC000183534639 822491285 /nfs/dbraw/zinc/49/12/85/822491285.db2.gz SKZXMTUKWZAIQC-NVXWUHKLSA-N 1 1 399.514 4.094 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183538120 822491935 /nfs/dbraw/zinc/49/19/35/822491935.db2.gz HDXPLQUGIGYERO-FPOVZHCZSA-N 1 1 399.560 4.255 20 0 GIADMO C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(OC(F)F)c1 ZINC000046611338 822491904 /nfs/dbraw/zinc/49/19/04/822491904.db2.gz BAFYAVRHYDFTTG-DNVCBOLYSA-N 1 1 389.446 4.047 20 0 GIADMO C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(OC(F)F)c1 ZINC000046611338 822491906 /nfs/dbraw/zinc/49/19/06/822491906.db2.gz BAFYAVRHYDFTTG-DNVCBOLYSA-N 1 1 389.446 4.047 20 0 GIADMO Clc1cccc(-c2cnc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)o2)c1 ZINC000179499864 822492110 /nfs/dbraw/zinc/49/21/10/822492110.db2.gz XCJRFFHKSCACHY-HNNXBMFYSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1cccc(-c2cnc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)o2)c1 ZINC000179499864 822492111 /nfs/dbraw/zinc/49/21/11/822492111.db2.gz XCJRFFHKSCACHY-HNNXBMFYSA-N 1 1 383.883 4.370 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C2CC2)n1 ZINC000183541259 822492456 /nfs/dbraw/zinc/49/24/56/822492456.db2.gz BUYZMEOGQHGOPI-OGHNNQOOSA-N 1 1 377.941 4.412 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)s1 ZINC000183564732 822495306 /nfs/dbraw/zinc/49/53/06/822495306.db2.gz WXAASZXWAKBUEL-ZDUSSCGKSA-N 1 1 383.439 4.321 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)s1 ZINC000183564732 822495309 /nfs/dbraw/zinc/49/53/09/822495309.db2.gz WXAASZXWAKBUEL-ZDUSSCGKSA-N 1 1 383.439 4.321 20 0 GIADMO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(F)c(Br)c1 ZINC000179522364 822496617 /nfs/dbraw/zinc/49/66/17/822496617.db2.gz UNVFEIKBZVZOER-JTQLQIEISA-N 1 1 389.215 4.478 20 0 GIADMO CC(C)c1cc(Br)ccc1NC(=O)CCCC[NH+]1CCOCC1 ZINC000179526111 822497192 /nfs/dbraw/zinc/49/71/92/822497192.db2.gz DCYHPOVYZYXCLZ-UHFFFAOYSA-N 1 1 383.330 4.014 20 0 GIADMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000179528065 822497557 /nfs/dbraw/zinc/49/75/57/822497557.db2.gz YSJLLEXVUGCVMU-INIZCTEOSA-N 1 1 375.451 4.356 20 0 GIADMO Clc1ccc(-n2cc(C[NH2+]Cc3cccc4cccnc43)nn2)cc1Cl ZINC000183588322 822497952 /nfs/dbraw/zinc/49/79/52/822497952.db2.gz TWBMGWIIFVKMCL-UHFFFAOYSA-N 1 1 384.270 4.412 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000179531605 822498248 /nfs/dbraw/zinc/49/82/48/822498248.db2.gz PAFIWPVOATVHOL-UHFFFAOYSA-N 1 1 387.483 4.177 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000179531605 822498250 /nfs/dbraw/zinc/49/82/50/822498250.db2.gz PAFIWPVOATVHOL-UHFFFAOYSA-N 1 1 387.483 4.177 20 0 GIADMO Cc1cccc([C@@H]([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c2ccccn2)c1 ZINC000179535255 822499094 /nfs/dbraw/zinc/49/90/94/822499094.db2.gz GNPVVSXKJKPLRR-HTAPYJJXSA-N 1 1 395.528 4.202 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000183597259 822499123 /nfs/dbraw/zinc/49/91/23/822499123.db2.gz SFMRSQRCXKDDSD-UHFFFAOYSA-N 1 1 382.851 4.027 20 0 GIADMO O=C(OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ncccc1C(F)(F)F ZINC000183619128 822502199 /nfs/dbraw/zinc/50/21/99/822502199.db2.gz GUUARUBRYMETBA-INIZCTEOSA-N 1 1 378.394 4.169 20 0 GIADMO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000454601355 822504127 /nfs/dbraw/zinc/50/41/27/822504127.db2.gz SUUDVFBYAYXPDB-OAHLLOKOSA-N 1 1 387.455 4.008 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CSc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000454603219 822504368 /nfs/dbraw/zinc/50/43/68/822504368.db2.gz RLOZVSHLFIADDC-YZGWKJHDSA-N 1 1 395.572 4.228 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc2ccccc2s1 ZINC000179571327 822505392 /nfs/dbraw/zinc/50/53/92/822505392.db2.gz ZNLPZHXPZMZVGM-UHFFFAOYSA-N 1 1 381.501 4.320 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc2ccccc2s1 ZINC000179571327 822505395 /nfs/dbraw/zinc/50/53/95/822505395.db2.gz ZNLPZHXPZMZVGM-UHFFFAOYSA-N 1 1 381.501 4.320 20 0 GIADMO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1noc(Cc2ccccc2)n1 ZINC000179570460 822505447 /nfs/dbraw/zinc/50/54/47/822505447.db2.gz PIZPVOGJJMSEIJ-ZLPCBKJTSA-N 1 1 385.508 4.212 20 0 GIADMO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000454609596 822505602 /nfs/dbraw/zinc/50/56/02/822505602.db2.gz VNOGLFZROSVSPD-PSBWJHGTSA-N 1 1 397.485 4.412 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CCO)C(C)(C)C)cs1)c1ccc(Cl)cc1 ZINC000183663308 822507762 /nfs/dbraw/zinc/50/77/62/822507762.db2.gz OYJQVWGESNKCDX-KRWDZBQOSA-N 1 1 395.956 4.368 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1cccc2cccnc21 ZINC000046715563 822508982 /nfs/dbraw/zinc/50/89/82/822508982.db2.gz ZBVZVVOQYNJTSU-LJQANCHMSA-N 1 1 387.527 4.468 20 0 GIADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000454644033 822511471 /nfs/dbraw/zinc/51/14/71/822511471.db2.gz FUANYFYWDQNSLQ-IBGZPJMESA-N 1 1 394.519 4.195 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000183689558 822511911 /nfs/dbraw/zinc/51/19/11/822511911.db2.gz OQDSUUKLMDPENK-ZDUSSCGKSA-N 1 1 395.413 4.360 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000183694092 822512781 /nfs/dbraw/zinc/51/27/81/822512781.db2.gz WROQEHGRCDNQHM-LBPRGKRZSA-N 1 1 399.821 4.344 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)Cc1ccc(Br)cc1 ZINC000046751326 822512945 /nfs/dbraw/zinc/51/29/45/822512945.db2.gz RPLMCEPXQDRCOV-MRXNPFEDSA-N 1 1 396.373 4.245 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000046757258 822513872 /nfs/dbraw/zinc/51/38/72/822513872.db2.gz PNRAERRRLXJGJG-UHFFFAOYSA-N 1 1 380.410 4.355 20 0 GIADMO COc1cc(C)c([C@@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nn2)cc1OC ZINC000179620800 822514375 /nfs/dbraw/zinc/51/43/75/822514375.db2.gz XWLUVUOYFCYXMV-CQSZACIVSA-N 1 1 386.883 4.097 20 0 GIADMO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)cc1F ZINC000179622092 822514608 /nfs/dbraw/zinc/51/46/08/822514608.db2.gz ZHDKGUTZPLBHSO-INIZCTEOSA-N 1 1 375.387 4.202 20 0 GIADMO CC(C)[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@H]1C(C)C ZINC000454671895 822515321 /nfs/dbraw/zinc/51/53/21/822515321.db2.gz ZTSDLHGZDASAEH-ICSRJNTNSA-N 1 1 375.582 4.380 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(F)cc1F ZINC000179627411 822515471 /nfs/dbraw/zinc/51/54/71/822515471.db2.gz XVLVXCBZYUGWCT-HNNXBMFYSA-N 1 1 398.837 4.315 20 0 GIADMO CO[C@@H](C)c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454685546 822517083 /nfs/dbraw/zinc/51/70/83/822517083.db2.gz RADBGEGMHFTFFI-MOPGFXCFSA-N 1 1 381.520 4.380 20 0 GIADMO COc1ccc(C[NH2+]Cc2cncc(Br)c2)c(OC2CCCC2)c1 ZINC000183725743 822517308 /nfs/dbraw/zinc/51/73/08/822517308.db2.gz XQOGOMPHYISBEC-UHFFFAOYSA-N 1 1 391.309 4.464 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000183739817 822519948 /nfs/dbraw/zinc/51/99/48/822519948.db2.gz VYWOQKOGCRVUBG-LBPRGKRZSA-N 1 1 382.514 4.039 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccccc2)cc1OC ZINC000179660655 822522094 /nfs/dbraw/zinc/52/20/94/822522094.db2.gz FWTICDWAHPVZBH-HXUWFJFHSA-N 1 1 377.488 4.441 20 0 GIADMO C[N@@H+](CCc1ccncc1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000183752920 822522376 /nfs/dbraw/zinc/52/23/76/822522376.db2.gz CQONHHRHWPHFSQ-UHFFFAOYSA-N 1 1 383.499 4.063 20 0 GIADMO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000179663830 822522830 /nfs/dbraw/zinc/52/28/30/822522830.db2.gz LCSUEZHPJFXKGQ-FQEVSTJZSA-N 1 1 387.527 4.413 20 0 GIADMO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000179663830 822522831 /nfs/dbraw/zinc/52/28/31/822522831.db2.gz LCSUEZHPJFXKGQ-FQEVSTJZSA-N 1 1 387.527 4.413 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000454752898 822528328 /nfs/dbraw/zinc/52/83/28/822528328.db2.gz XTRQFLMJBIZHGI-AWEZNQCLSA-N 1 1 377.410 4.090 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C1 ZINC000046934305 822532374 /nfs/dbraw/zinc/53/23/74/822532374.db2.gz ZVGPURBYRUFIAD-INIZCTEOSA-N 1 1 376.456 4.277 20 0 GIADMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000179709671 822532356 /nfs/dbraw/zinc/53/23/56/822532356.db2.gz HQIINQDZDPDXLN-GOSISDBHSA-N 1 1 380.319 4.430 20 0 GIADMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000179709671 822532361 /nfs/dbraw/zinc/53/23/61/822532361.db2.gz HQIINQDZDPDXLN-GOSISDBHSA-N 1 1 380.319 4.430 20 0 GIADMO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1cccs1 ZINC000046934193 822532405 /nfs/dbraw/zinc/53/24/05/822532405.db2.gz ITFDCEVBKIEVMZ-JXFKEZNVSA-N 1 1 399.560 4.186 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)C1 ZINC000046934335 822532512 /nfs/dbraw/zinc/53/25/12/822532512.db2.gz YFYSORXRKBYKAP-SFHVURJKSA-N 1 1 391.515 4.298 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4(C)OCCO4)C3)cs2)cc1 ZINC000183825619 822532860 /nfs/dbraw/zinc/53/28/60/822532860.db2.gz SHLMESUCMVPXBJ-QGZVFWFLSA-N 1 1 388.533 4.184 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454781129 822533018 /nfs/dbraw/zinc/53/30/18/822533018.db2.gz XUDQQAGMTTVPKZ-NZQKXSOJSA-N 1 1 379.548 4.090 20 0 GIADMO Cc1noc(C)c1COc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000046990778 822536073 /nfs/dbraw/zinc/53/60/73/822536073.db2.gz GZCVHACLROYCCE-QGZVFWFLSA-N 1 1 399.535 4.112 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)o2)cc1 ZINC000046991762 822536272 /nfs/dbraw/zinc/53/62/72/822536272.db2.gz ZMAHGGPBUZKLEU-LJQANCHMSA-N 1 1 383.536 4.211 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000046991509 822536287 /nfs/dbraw/zinc/53/62/87/822536287.db2.gz SHKIVSHCEVPTNU-QGZVFWFLSA-N 1 1 389.540 4.276 20 0 GIADMO C[C@H](CNC(=O)N1CCC[C@@H]1c1ccsc1)[N@@H+]1CCc2sccc2C1 ZINC000047010499 822537406 /nfs/dbraw/zinc/53/74/06/822537406.db2.gz XMFGXZYXCLBMLZ-RHSMWYFYSA-N 1 1 375.563 4.103 20 0 GIADMO C[C@H](CNC(=O)N1CCC[C@@H]1c1ccsc1)[N@H+]1CCc2sccc2C1 ZINC000047010499 822537408 /nfs/dbraw/zinc/53/74/08/822537408.db2.gz XMFGXZYXCLBMLZ-RHSMWYFYSA-N 1 1 375.563 4.103 20 0 GIADMO Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]Cc1nnc3n1CCCC3)CCC2 ZINC000183861755 822537506 /nfs/dbraw/zinc/53/75/06/822537506.db2.gz CVZLTKARMMBMIM-OAHLLOKOSA-N 1 1 383.496 4.044 20 0 GIADMO C[C@H](CNC(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000047010926 822537694 /nfs/dbraw/zinc/53/76/94/822537694.db2.gz MEMUPJHESXHHKN-GDBMZVCRSA-N 1 1 375.563 4.103 20 0 GIADMO C[C@H](CNC(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCc2sccc2C1 ZINC000047010926 822537696 /nfs/dbraw/zinc/53/76/96/822537696.db2.gz MEMUPJHESXHHKN-GDBMZVCRSA-N 1 1 375.563 4.103 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2occc2COc2ccccc2)C1 ZINC000047039204 822539050 /nfs/dbraw/zinc/53/90/50/822539050.db2.gz YHVYCJSWBFKSPT-KDURUIRLSA-N 1 1 384.520 4.347 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000047038669 822539186 /nfs/dbraw/zinc/53/91/86/822539186.db2.gz LHZAPQYHGUQYKS-HDICACEKSA-N 1 1 387.593 4.493 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000183900408 822542966 /nfs/dbraw/zinc/54/29/66/822542966.db2.gz PGNOLFTXAFBQQS-UHFFFAOYSA-N 1 1 388.600 4.471 20 0 GIADMO Cc1ccc(SCC(F)(F)F)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000454838912 822543925 /nfs/dbraw/zinc/54/39/25/822543925.db2.gz SKBQBMBZXGKITI-AGUYFDCRSA-N 1 1 387.471 4.396 20 0 GIADMO CNC(=O)c1ccc(C[N@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000179757304 822544427 /nfs/dbraw/zinc/54/44/27/822544427.db2.gz MHNLFRZRIQHRTO-UHFFFAOYSA-N 1 1 396.922 4.134 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](C)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000179757304 822544429 /nfs/dbraw/zinc/54/44/29/822544429.db2.gz MHNLFRZRIQHRTO-UHFFFAOYSA-N 1 1 396.922 4.134 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000179759511 822544841 /nfs/dbraw/zinc/54/48/41/822544841.db2.gz SQKNHYSOQWFWQI-SFHVURJKSA-N 1 1 392.503 4.018 20 0 GIADMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[nH]c2c1C(=O)CCC2 ZINC000047121273 822545655 /nfs/dbraw/zinc/54/56/55/822545655.db2.gz CUKXADMCHHXXAQ-INIZCTEOSA-N 1 1 393.531 4.147 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1 ZINC000179762305 822546061 /nfs/dbraw/zinc/54/60/61/822546061.db2.gz LULJMMDZAYPYRR-PKTZIBPZSA-N 1 1 394.515 4.108 20 0 GIADMO CCCn1c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)nc2ccccc21 ZINC000179767174 822548038 /nfs/dbraw/zinc/54/80/38/822548038.db2.gz QGLFPKYWKBMHPS-UHFFFAOYSA-N 1 1 392.503 4.003 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179768289 822548491 /nfs/dbraw/zinc/54/84/91/822548491.db2.gz HERIZBZLBFEARP-OAHLLOKOSA-N 1 1 378.451 4.211 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1)c1nccs1 ZINC000183934773 822549882 /nfs/dbraw/zinc/54/98/82/822549882.db2.gz SGWUTVRVJGIUQO-LLVKDONJSA-N 1 1 378.548 4.002 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1)c1nccs1 ZINC000183934773 822549883 /nfs/dbraw/zinc/54/98/83/822549883.db2.gz SGWUTVRVJGIUQO-LLVKDONJSA-N 1 1 378.548 4.002 20 0 GIADMO CCCOc1c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cccc1OCC ZINC000179778784 822551018 /nfs/dbraw/zinc/55/10/18/822551018.db2.gz REXBMCKOUYFXHY-IBGZPJMESA-N 1 1 394.519 4.296 20 0 GIADMO C[C@H](CC(C)(C)C)NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000454889136 822551473 /nfs/dbraw/zinc/55/14/73/822551473.db2.gz LIGXVWCFWMYTMY-QGZVFWFLSA-N 1 1 398.551 4.430 20 0 GIADMO COC1CCN(c2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C(F)(F)F)CC1 ZINC000179782537 822551934 /nfs/dbraw/zinc/55/19/34/822551934.db2.gz BLIRMBJEUHBUJV-IAGOWNOFSA-N 1 1 397.485 4.359 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000047187676 822552308 /nfs/dbraw/zinc/55/23/08/822552308.db2.gz NZEWMXKQGYXMPV-IBGZPJMESA-N 1 1 383.536 4.435 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000047187858 822552440 /nfs/dbraw/zinc/55/24/40/822552440.db2.gz FMEGIVSITRUBLU-KRWDZBQOSA-N 1 1 388.483 4.240 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000047187825 822552586 /nfs/dbraw/zinc/55/25/86/822552586.db2.gz XZAILBPORCMFPQ-LJQANCHMSA-N 1 1 393.531 4.181 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2ccccc2Br)s1 ZINC000183970088 822555681 /nfs/dbraw/zinc/55/56/81/822555681.db2.gz QCPHCQYXCBIABI-LLVKDONJSA-N 1 1 382.327 4.066 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000047228234 822556114 /nfs/dbraw/zinc/55/61/14/822556114.db2.gz GADSDIZJXNMBPF-UHFFFAOYSA-N 1 1 393.447 4.175 20 0 GIADMO COc1cccc2c1CCN(C(=O)N[C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC000183973503 822556328 /nfs/dbraw/zinc/55/63/28/822556328.db2.gz RJPBPKMCQUFHMA-INIZCTEOSA-N 1 1 390.487 4.018 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000183978318 822556977 /nfs/dbraw/zinc/55/69/77/822556977.db2.gz CUSRZCHZVAKGJG-CTNGQTDRSA-N 1 1 389.503 4.116 20 0 GIADMO O=C(C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F)Nc1cccnc1Cl ZINC000179812805 822558104 /nfs/dbraw/zinc/55/81/04/822558104.db2.gz QSMZEWZKOBVZAY-IBGZPJMESA-N 1 1 383.854 4.386 20 0 GIADMO COC(=O)c1oc(C[N@@H+]2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)cc1C ZINC000047257143 822559088 /nfs/dbraw/zinc/55/90/88/822559088.db2.gz NMTHJJUKNXRKJL-UHFFFAOYSA-N 1 1 380.444 4.154 20 0 GIADMO CCCCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1OCC ZINC000047275757 822561025 /nfs/dbraw/zinc/56/10/25/822561025.db2.gz JJBZBKKGHBEORU-UHFFFAOYSA-N 1 1 394.475 4.406 20 0 GIADMO Cc1ccc([C@H](NC(=O)C[N@@H+](C)C[C@@H](C)c2nccs2)c2cccs2)cc1 ZINC000184020243 822565401 /nfs/dbraw/zinc/56/54/01/822565401.db2.gz RTAJKTFGVIBORG-UZLBHIALSA-N 1 1 399.585 4.454 20 0 GIADMO Cc1ccc([C@H](NC(=O)C[N@H+](C)C[C@@H](C)c2nccs2)c2cccs2)cc1 ZINC000184020243 822565403 /nfs/dbraw/zinc/56/54/03/822565403.db2.gz RTAJKTFGVIBORG-UZLBHIALSA-N 1 1 399.585 4.454 20 0 GIADMO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047324910 822566335 /nfs/dbraw/zinc/56/63/35/822566335.db2.gz JZKWFHRBSJLDER-UHFFFAOYSA-N 1 1 379.838 4.404 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047337201 822568238 /nfs/dbraw/zinc/56/82/38/822568238.db2.gz ASCZCCKKXFAKTG-UHFFFAOYSA-N 1 1 381.520 4.138 20 0 GIADMO Cc1nccn1CCCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000047351179 822569880 /nfs/dbraw/zinc/56/98/80/822569880.db2.gz FOHDNIGNTHNLJF-UHFFFAOYSA-N 1 1 383.540 4.168 20 0 GIADMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000179888403 822572098 /nfs/dbraw/zinc/57/20/98/822572098.db2.gz QUENRIHYTWNBRI-QGZVFWFLSA-N 1 1 386.879 4.120 20 0 GIADMO Clc1ccc(Cc2nc(C[N@@H+]3CCOCC4(CCOCC4)C3)cs2)cc1 ZINC000184090332 822576284 /nfs/dbraw/zinc/57/62/84/822576284.db2.gz DHMKLDOMXWCAGA-UHFFFAOYSA-N 1 1 392.952 4.016 20 0 GIADMO Clc1ccc(Cc2nc(C[N@H+]3CCOCC4(CCOCC4)C3)cs2)cc1 ZINC000184090332 822576288 /nfs/dbraw/zinc/57/62/88/822576288.db2.gz DHMKLDOMXWCAGA-UHFFFAOYSA-N 1 1 392.952 4.016 20 0 GIADMO C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C(=O)c1ccc(Cl)cc1 ZINC000179918491 822576857 /nfs/dbraw/zinc/57/68/57/822576857.db2.gz YQDZRMRZEQDVAW-IAGOWNOFSA-N 1 1 378.944 4.320 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000047415941 822577218 /nfs/dbraw/zinc/57/72/18/822577218.db2.gz JDAUZYVRABLSOY-IYBDPMFKSA-N 1 1 378.607 4.263 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC(F)F ZINC000179921026 822577571 /nfs/dbraw/zinc/57/75/71/822577571.db2.gz FSHUSUICLHTKOH-NSHDSACASA-N 1 1 384.423 4.438 20 0 GIADMO Cn1cnnc1-c1cccc(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000179941517 822581606 /nfs/dbraw/zinc/58/16/06/822581606.db2.gz FBZWGEQPYYGRCH-UHFFFAOYSA-N 1 1 399.901 4.351 20 0 GIADMO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Br)n1 ZINC000184142562 822584964 /nfs/dbraw/zinc/58/49/64/822584964.db2.gz WFPVXZFERRIEFG-NEPJUHHUSA-N 1 1 382.327 4.200 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 ZINC000047522628 822586833 /nfs/dbraw/zinc/58/68/33/822586833.db2.gz YDHSTOISYJSQFQ-KRWDZBQOSA-N 1 1 399.560 4.271 20 0 GIADMO C[C@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)NC(=O)c1ccccc1 ZINC000047522483 822586867 /nfs/dbraw/zinc/58/68/67/822586867.db2.gz MNYARUFYCFNGKT-RTBURBONSA-N 1 1 393.531 4.208 20 0 GIADMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047540142 822588477 /nfs/dbraw/zinc/58/84/77/822588477.db2.gz ZWHTVWQFUXSUFK-INIZCTEOSA-N 1 1 397.519 4.156 20 0 GIADMO Cc1csc([C@H](C)[NH2+]CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)n1 ZINC000184188253 822592924 /nfs/dbraw/zinc/59/29/24/822592924.db2.gz JJTSKUIQBSQDGW-YWZLYKJASA-N 1 1 397.569 4.338 20 0 GIADMO Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000455126181 822592958 /nfs/dbraw/zinc/59/29/58/822592958.db2.gz MYXAWWJVMNZVMK-HNNXBMFYSA-N 1 1 384.549 4.457 20 0 GIADMO CC(C)Oc1c(F)cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1F ZINC000455126760 822593172 /nfs/dbraw/zinc/59/31/72/822593172.db2.gz OKABYTCEWRZWEK-CQSZACIVSA-N 1 1 381.467 4.090 20 0 GIADMO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000180009841 822595661 /nfs/dbraw/zinc/59/56/61/822595661.db2.gz PBQRRKCZOIKERL-KDOFPFPSSA-N 1 1 386.883 4.055 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[N@H+](C2CCC2)C1 ZINC000455146011 822596766 /nfs/dbraw/zinc/59/67/66/822596766.db2.gz OXXGRLAVOLBKIQ-LBPRGKRZSA-N 1 1 387.858 4.280 20 0 GIADMO C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180017369 822597476 /nfs/dbraw/zinc/59/74/76/822597476.db2.gz WWGKRKYRIHKPDY-NSHDSACASA-N 1 1 398.816 4.414 20 0 GIADMO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(-c2ccccc2)o1 ZINC000184220540 822598162 /nfs/dbraw/zinc/59/81/62/822598162.db2.gz DTRUDIGQOJIGDH-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(-c2ccccc2)o1 ZINC000184220540 822598163 /nfs/dbraw/zinc/59/81/63/822598163.db2.gz DTRUDIGQOJIGDH-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180023023 822598677 /nfs/dbraw/zinc/59/86/77/822598677.db2.gz IFAAKNCXOYSXPS-AWEZNQCLSA-N 1 1 384.911 4.217 20 0 GIADMO COCCOc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000180027132 822599795 /nfs/dbraw/zinc/59/97/95/822599795.db2.gz LQSYEKAUMZJIMJ-UZLBHIALSA-N 1 1 389.927 4.083 20 0 GIADMO COc1cc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1F ZINC000455166279 822600655 /nfs/dbraw/zinc/60/06/55/822600655.db2.gz SUEDEFSIEKSVHI-INIZCTEOSA-N 1 1 385.483 4.129 20 0 GIADMO Clc1ccc(N2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)nc1 ZINC000180036257 822602013 /nfs/dbraw/zinc/60/20/13/822602013.db2.gz OSUJIQLYZKEHNT-UHFFFAOYSA-N 1 1 394.906 4.031 20 0 GIADMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000184264104 822605512 /nfs/dbraw/zinc/60/55/12/822605512.db2.gz TZKCOZIITYOTPJ-UHFFFAOYSA-N 1 1 392.613 4.115 20 0 GIADMO Cc1cnc(CC[N@H+](C)Cc2cnn(-c3ccc(Br)cc3)c2)s1 ZINC000180058593 822606079 /nfs/dbraw/zinc/60/60/79/822606079.db2.gz TYCDHXSXGHGYDJ-UHFFFAOYSA-N 1 1 391.338 4.074 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000047772165 822608232 /nfs/dbraw/zinc/60/82/32/822608232.db2.gz USQZSDQSHGTYRK-UHFFFAOYSA-N 1 1 384.911 4.365 20 0 GIADMO C[C@H](C[S@](C)=O)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000184314775 822612999 /nfs/dbraw/zinc/61/29/99/822612999.db2.gz QRJOULOVWMRPCR-WAQMSGSHSA-N 1 1 384.314 4.034 20 0 GIADMO COc1ccc2oc([C@@H](C)[NH2+]Cc3nnc(-c4ccccc4)n3C)c(C)c2c1 ZINC000184321931 822614682 /nfs/dbraw/zinc/61/46/82/822614682.db2.gz STNPNYKGHIPPDD-OAHLLOKOSA-N 1 1 376.460 4.396 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cncc(Cl)c3Cl)cc2)C[C@H](C)O1 ZINC000180111594 822617504 /nfs/dbraw/zinc/61/75/04/822617504.db2.gz OSWYTANBIOBDMN-STQMWFEESA-N 1 1 394.302 4.250 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180115056 822618310 /nfs/dbraw/zinc/61/83/10/822618310.db2.gz OSEURMXFOPPOIV-LBPRGKRZSA-N 1 1 375.847 4.137 20 0 GIADMO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000455253632 822618498 /nfs/dbraw/zinc/61/84/98/822618498.db2.gz WWBGXSQPBAHJLS-GFCCVEGCSA-N 1 1 398.320 4.235 20 0 GIADMO CSc1c(F)cc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1F ZINC000184345100 822619387 /nfs/dbraw/zinc/61/93/87/822619387.db2.gz DXYHXKZYOCMLNX-UHFFFAOYSA-N 1 1 397.516 4.302 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(-c3ccccc3Cl)ns2)[C@H](C)C1 ZINC000184360306 822622058 /nfs/dbraw/zinc/62/20/58/822622058.db2.gz RHDIDBLXYZYIHF-DOMZBBRYSA-N 1 1 393.944 4.053 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000180134122 822623009 /nfs/dbraw/zinc/62/30/09/822623009.db2.gz MEHOZVQFPXNANP-VBKZILBWSA-N 1 1 383.879 4.135 20 0 GIADMO Cc1ccccc1C(NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1C ZINC000184372542 822623942 /nfs/dbraw/zinc/62/39/42/822623942.db2.gz ITDFOXTZUJRGSS-UGKGYDQZSA-N 1 1 379.548 4.374 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1nc(C)cs1 ZINC000184383615 822625761 /nfs/dbraw/zinc/62/57/61/822625761.db2.gz VBOFDBFTBXYBOX-NSHDSACASA-N 1 1 397.426 4.026 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000048042493 822626231 /nfs/dbraw/zinc/62/62/31/822626231.db2.gz DRPVEJFGJHWZNS-UHFFFAOYSA-N 1 1 375.900 4.123 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046716 822626341 /nfs/dbraw/zinc/62/63/41/822626341.db2.gz NZFZLEYEXNHZTP-RTBURBONSA-N 1 1 399.579 4.108 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000048046717 822626399 /nfs/dbraw/zinc/62/63/99/822626399.db2.gz NZFZLEYEXNHZTP-RBUKOAKNSA-N 1 1 399.579 4.108 20 0 GIADMO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000184401511 822628878 /nfs/dbraw/zinc/62/88/78/822628878.db2.gz WCYFRAVKWFWWAJ-UHFFFAOYSA-N 1 1 387.858 4.424 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2ccc(C3SCCS3)cc2)[C@@H]1c1ccccc1 ZINC000180159525 822629436 /nfs/dbraw/zinc/62/94/36/822629436.db2.gz NZEREBYAUIXUDR-OALUTQOASA-N 1 1 384.570 4.340 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000184412125 822630220 /nfs/dbraw/zinc/63/02/20/822630220.db2.gz BHVZPGILXCETJM-RBBKRZOGSA-N 1 1 394.563 4.073 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)c1nc(C)cs1 ZINC000184412551 822630438 /nfs/dbraw/zinc/63/04/38/822630438.db2.gz HODWASKJEOSLFV-HKUYNNGSSA-N 1 1 375.538 4.014 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000184412761 822630451 /nfs/dbraw/zinc/63/04/51/822630451.db2.gz MYEKULUDMGUDSX-HJNYFJLDSA-N 1 1 387.568 4.030 20 0 GIADMO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171252 822631915 /nfs/dbraw/zinc/63/19/15/822631915.db2.gz XEVCRSBYVQQWHL-SOUXKNCUSA-N 1 1 388.914 4.298 20 0 GIADMO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171252 822631918 /nfs/dbraw/zinc/63/19/18/822631918.db2.gz XEVCRSBYVQQWHL-SOUXKNCUSA-N 1 1 388.914 4.298 20 0 GIADMO O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171252 822631923 /nfs/dbraw/zinc/63/19/23/822631923.db2.gz XEVCRSBYVQQWHL-SOUXKNCUSA-N 1 1 388.914 4.298 20 0 GIADMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cccc1N(C)C ZINC000180178008 822633190 /nfs/dbraw/zinc/63/31/90/822633190.db2.gz KCGVLVGNIPTTGW-XLIONFOSSA-N 1 1 380.536 4.236 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000184429771 822633505 /nfs/dbraw/zinc/63/35/05/822633505.db2.gz ZXBJUCKCASZWSS-INIZCTEOSA-N 1 1 392.894 4.299 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000184429771 822633507 /nfs/dbraw/zinc/63/35/07/822633507.db2.gz ZXBJUCKCASZWSS-INIZCTEOSA-N 1 1 392.894 4.299 20 0 GIADMO Cc1c(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1N(C)C ZINC000180180563 822633702 /nfs/dbraw/zinc/63/37/02/822633702.db2.gz LUYBFNSRFXDVFT-GOSISDBHSA-N 1 1 380.536 4.189 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)c1nc(C)cs1 ZINC000184436575 822634844 /nfs/dbraw/zinc/63/48/44/822634844.db2.gz LZLWGXLQVUMDRT-CYBMUJFWSA-N 1 1 382.327 4.202 20 0 GIADMO Cc1cc(OC(C)C)ccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000048122130 822635549 /nfs/dbraw/zinc/63/55/49/822635549.db2.gz ASUKJYCQMQIHIM-INIZCTEOSA-N 1 1 387.549 4.412 20 0 GIADMO Cc1cc(OC(C)C)ccc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000048122130 822635550 /nfs/dbraw/zinc/63/55/50/822635550.db2.gz ASUKJYCQMQIHIM-INIZCTEOSA-N 1 1 387.549 4.412 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)[C@@H]1c1ccccc1 ZINC000180193662 822636514 /nfs/dbraw/zinc/63/65/14/822636514.db2.gz SGYMLORTFSRJOS-BJLQDIEVSA-N 1 1 376.422 4.284 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000180197311 822637478 /nfs/dbraw/zinc/63/74/78/822637478.db2.gz DQJCBXNPJNEUJB-SFHVURJKSA-N 1 1 384.568 4.187 20 0 GIADMO CN(Cc1cn(C)nc1-c1cccs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180197437 822637511 /nfs/dbraw/zinc/63/75/11/822637511.db2.gz YSMRLOAPZCHQFE-LJQANCHMSA-N 1 1 380.561 4.103 20 0 GIADMO Cn1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197437 822637521 /nfs/dbraw/zinc/63/75/21/822637521.db2.gz YSMRLOAPZCHQFE-LJQANCHMSA-N 1 1 380.561 4.103 20 0 GIADMO Cn1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197437 822637524 /nfs/dbraw/zinc/63/75/24/822637524.db2.gz YSMRLOAPZCHQFE-LJQANCHMSA-N 1 1 380.561 4.103 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000048139358 822637814 /nfs/dbraw/zinc/63/78/14/822637814.db2.gz HRGNHLMWCBCTDR-KRWDZBQOSA-N 1 1 376.520 4.060 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000184452917 822637864 /nfs/dbraw/zinc/63/78/64/822637864.db2.gz SHCXQHTYGGKBEY-KRWDZBQOSA-N 1 1 378.538 4.014 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000184453321 822637919 /nfs/dbraw/zinc/63/79/19/822637919.db2.gz DSNDXXBIRGVNIU-CYBMUJFWSA-N 1 1 384.398 4.400 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000184453321 822637922 /nfs/dbraw/zinc/63/79/22/822637922.db2.gz DSNDXXBIRGVNIU-CYBMUJFWSA-N 1 1 384.398 4.400 20 0 GIADMO C[C@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180199248 822637910 /nfs/dbraw/zinc/63/79/10/822637910.db2.gz MCIWYQXOYZUNQJ-HOTGVXAUSA-N 1 1 397.954 4.498 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)[C@H]1c1ccccc1 ZINC000180201856 822638550 /nfs/dbraw/zinc/63/85/50/822638550.db2.gz PGTCQDSRKSSIRU-WOJBJXKFSA-N 1 1 395.503 4.209 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184458536 822638952 /nfs/dbraw/zinc/63/89/52/822638952.db2.gz AHXGIXKAEHXSPV-HZPDHXFCSA-N 1 1 380.916 4.029 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184458536 822638956 /nfs/dbraw/zinc/63/89/56/822638956.db2.gz AHXGIXKAEHXSPV-HZPDHXFCSA-N 1 1 380.916 4.029 20 0 GIADMO Cn1cncc1C[NH2+][C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000180207488 822639581 /nfs/dbraw/zinc/63/95/81/822639581.db2.gz MLOQTULETVKXOU-IBGZPJMESA-N 1 1 393.384 4.488 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1-n1cccn1 ZINC000048149122 822639958 /nfs/dbraw/zinc/63/99/58/822639958.db2.gz ZUGKCJGFIUIGOC-UHFFFAOYSA-N 1 1 377.492 4.034 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3c4c(ccc3Cl)CC(C)(C)O4)C2)C1 ZINC000455360308 822640304 /nfs/dbraw/zinc/64/03/04/822640304.db2.gz UNDKRRHWUSDHNM-FQEVSTJZSA-N 1 1 377.916 4.003 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)[C@H](C)C2CC2)cc1 ZINC000184468788 822641479 /nfs/dbraw/zinc/64/14/79/822641479.db2.gz YAPVPLMDCHRFIN-OAHLLOKOSA-N 1 1 380.492 4.193 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000048182949 822642901 /nfs/dbraw/zinc/64/29/01/822642901.db2.gz VXMIVUTWAGGRSB-APWZRJJASA-N 1 1 388.533 4.112 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000180248399 822647873 /nfs/dbraw/zinc/64/78/73/822647873.db2.gz MEEDCAQAPUVYGD-UHFFFAOYSA-N 1 1 396.560 4.127 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000048254844 822648614 /nfs/dbraw/zinc/64/86/14/822648614.db2.gz ZDIKPSKCMMNBRR-GOSISDBHSA-N 1 1 388.556 4.366 20 0 GIADMO Cc1csc2nc(C[NH2+][C@H](c3ccc(Cl)cc3F)C(C)C)cc(=O)n12 ZINC000180260018 822650060 /nfs/dbraw/zinc/65/00/60/822650060.db2.gz ZNIDEUQZNZIXFF-KRWDZBQOSA-N 1 1 379.888 4.344 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184522960 822650362 /nfs/dbraw/zinc/65/03/62/822650362.db2.gz IWUIYTRRYBAHJI-CQSZACIVSA-N 1 1 394.500 4.058 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000455424081 822651283 /nfs/dbraw/zinc/65/12/83/822651283.db2.gz CCXHEWKIVCFXRC-MRXNPFEDSA-N 1 1 394.510 4.043 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(COc4ccc(F)cc4)c3)C2)C1 ZINC000455432138 822652643 /nfs/dbraw/zinc/65/26/43/822652643.db2.gz DVTQIVZSPBRWQJ-QHCPKHFHSA-N 1 1 397.494 4.354 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1OC ZINC000184537950 822653597 /nfs/dbraw/zinc/65/35/97/822653597.db2.gz DOJHMISEHGWPJI-AWEZNQCLSA-N 1 1 397.500 4.117 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2ccccn2)cc1 ZINC000048323258 822653686 /nfs/dbraw/zinc/65/36/86/822653686.db2.gz UHMPSMCWQBFISA-SFHVURJKSA-N 1 1 383.561 4.006 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCSCc2ccccn2)C1 ZINC000048323685 822653861 /nfs/dbraw/zinc/65/38/61/822653861.db2.gz CSDQAFFEWYLGJM-IBGZPJMESA-N 1 1 397.588 4.253 20 0 GIADMO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000184569644 822658965 /nfs/dbraw/zinc/65/89/65/822658965.db2.gz YWWFRPPVVCJSTN-ICSRJNTNSA-N 1 1 395.551 4.299 20 0 GIADMO C[C@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455468622 822660520 /nfs/dbraw/zinc/66/05/20/822660520.db2.gz FPBSXTAFTNQCRZ-TZUVLKIQSA-N 1 1 383.458 4.123 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000180308849 822661105 /nfs/dbraw/zinc/66/11/05/822661105.db2.gz MYEGLFGNQOGLJW-QGZVFWFLSA-N 1 1 393.491 4.228 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000180308866 822661188 /nfs/dbraw/zinc/66/11/88/822661188.db2.gz MYEGLFGNQOGLJW-KRWDZBQOSA-N 1 1 393.491 4.228 20 0 GIADMO CC[NH+]1CCN(c2ccc(C(=O)Nc3c(C)cccc3SC)cc2F)CC1 ZINC000184598290 822663810 /nfs/dbraw/zinc/66/38/10/822663810.db2.gz XENVFIOHBOIEDH-UHFFFAOYSA-N 1 1 387.524 4.250 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3ccc(C(F)F)cc3)cc2)C[C@H](C)O1 ZINC000184610418 822665582 /nfs/dbraw/zinc/66/55/82/822665582.db2.gz WYOYTRAEZHQPNN-IYBDPMFKSA-N 1 1 388.458 4.163 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3ccc(C(F)F)cc3)cc2)C[C@H](C)O1 ZINC000184610418 822665584 /nfs/dbraw/zinc/66/55/84/822665584.db2.gz WYOYTRAEZHQPNN-IYBDPMFKSA-N 1 1 388.458 4.163 20 0 GIADMO Cc1c(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455495914 822665732 /nfs/dbraw/zinc/66/57/32/822665732.db2.gz WMPCDGQGSZBPJN-MRXNPFEDSA-N 1 1 378.476 4.292 20 0 GIADMO C[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCCC[C@@H]1C ZINC000048480200 822666477 /nfs/dbraw/zinc/66/64/77/822666477.db2.gz PEAAZDZFWAZJGT-ROUUACIJSA-N 1 1 394.519 4.323 20 0 GIADMO COc1ccc(OC)c(C[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)C(C)(C)C)c1 ZINC000184620097 822666782 /nfs/dbraw/zinc/66/67/82/822666782.db2.gz QTJLMBCIAHGCPD-UHFFFAOYSA-N 1 1 398.507 4.201 20 0 GIADMO CC[N@H+](Cc1cn(C)nc1-c1cccs1)CC1CCN(c2ccccn2)CC1 ZINC000180367911 822671039 /nfs/dbraw/zinc/67/10/39/822671039.db2.gz UDXKMIWYHLKTDS-UHFFFAOYSA-N 1 1 395.576 4.282 20 0 GIADMO COc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000048549224 822671456 /nfs/dbraw/zinc/67/14/56/822671456.db2.gz CDDAYLDKVLBLPJ-CQSZACIVSA-N 1 1 387.446 4.348 20 0 GIADMO COc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000180396008 822675194 /nfs/dbraw/zinc/67/51/94/822675194.db2.gz XQZLKEMHESSPCT-IBGZPJMESA-N 1 1 393.384 4.466 20 0 GIADMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000180402067 822675999 /nfs/dbraw/zinc/67/59/99/822675999.db2.gz CDIVQVCGNQKUAS-PXNSSMCTSA-N 1 1 378.532 4.297 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1nc2c(s1)CCCC2 ZINC000180408064 822676549 /nfs/dbraw/zinc/67/65/49/822676549.db2.gz IIXWYYWOXBISKW-MRXNPFEDSA-N 1 1 383.561 4.499 20 0 GIADMO Cc1csc(C[NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)n1 ZINC000048710284 822679149 /nfs/dbraw/zinc/67/91/49/822679149.db2.gz QWDRHTJLHHFJQR-UHFFFAOYSA-N 1 1 391.338 4.306 20 0 GIADMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)NC ZINC000048750078 822681151 /nfs/dbraw/zinc/68/11/51/822681151.db2.gz MAUZXIOLNKCGOY-KRWDZBQOSA-N 1 1 381.303 4.359 20 0 GIADMO CC[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2C)no1)c1ccccc1OC(F)F ZINC000184718443 822681355 /nfs/dbraw/zinc/68/13/55/822681355.db2.gz CPDFOFOYGIYRAO-MRXNPFEDSA-N 1 1 376.407 4.226 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)C3(C4CCC4)CCC3)CC2)cs1 ZINC000455600589 822681931 /nfs/dbraw/zinc/68/19/31/822681931.db2.gz QOMZXRKJNVUOLA-UHFFFAOYSA-N 1 1 375.582 4.004 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000048776587 822682202 /nfs/dbraw/zinc/68/22/02/822682202.db2.gz NEQJAZNPABPYEC-UHFFFAOYSA-N 1 1 387.462 4.180 20 0 GIADMO CC(C)c1csc([C@H]2CCCN(C(=O)NCCCC[N@@H+](C)C3CC3)C2)n1 ZINC000455605407 822683182 /nfs/dbraw/zinc/68/31/82/822683182.db2.gz HFWHUJVKXYGTLW-INIZCTEOSA-N 1 1 378.586 4.030 20 0 GIADMO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cc2c(cc1Br)OCCO2 ZINC000048786344 822683250 /nfs/dbraw/zinc/68/32/50/822683250.db2.gz WBKIUJORTRIDAN-LBPRGKRZSA-N 1 1 394.313 4.023 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N[C@H](c2ccccc2)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000455610253 822684088 /nfs/dbraw/zinc/68/40/88/822684088.db2.gz BFSIJFGBMQPLBC-NSISKUIASA-N 1 1 387.474 4.345 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)C1CC1 ZINC000455618349 822685038 /nfs/dbraw/zinc/68/50/38/822685038.db2.gz QCWPKLUYUOSJNI-UHFFFAOYSA-N 1 1 396.000 4.481 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000455624302 822685960 /nfs/dbraw/zinc/68/59/60/822685960.db2.gz WQXRHOPQXZBHID-UHFFFAOYSA-N 1 1 395.950 4.271 20 0 GIADMO CN(C(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455633303 822687402 /nfs/dbraw/zinc/68/74/02/822687402.db2.gz CMMGIHQJAXPDNV-FUNVUKJBSA-N 1 1 391.821 4.328 20 0 GIADMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3cn4cccnc4n3)s2)cc1 ZINC000184793197 822691823 /nfs/dbraw/zinc/69/18/23/822691823.db2.gz NZDWNOJUEGSKJG-CYBMUJFWSA-N 1 1 379.489 4.021 20 0 GIADMO Oc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180507157 822693066 /nfs/dbraw/zinc/69/30/66/822693066.db2.gz QXYUCJWDRUAJMA-BBRMVZONSA-N 1 1 382.323 4.304 20 0 GIADMO O=C(c1cccc(Br)c1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180507495 822693313 /nfs/dbraw/zinc/69/33/13/822693313.db2.gz XSJSKIYQQLIHRQ-MLGOLLRUSA-N 1 1 397.744 4.191 20 0 GIADMO Cn1cc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c(-c2ccncc2)n1 ZINC000180509595 822693802 /nfs/dbraw/zinc/69/38/02/822693802.db2.gz ZRSQWXDKBHJFIO-PMACEKPBSA-N 1 1 396.560 4.412 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2nc3ccccc3n2C2CC2)CC1 ZINC000184808915 822693844 /nfs/dbraw/zinc/69/38/44/822693844.db2.gz MBECHSNGGBFESE-UHFFFAOYSA-N 1 1 397.567 4.025 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc(-c2ccccc2)cs1)C(=O)N1CCc2ccccc2C1 ZINC000180525126 822696250 /nfs/dbraw/zinc/69/62/50/822696250.db2.gz ANCQKKZDWKPNAQ-IAGOWNOFSA-N 1 1 391.540 4.434 20 0 GIADMO C[C@H]1CCN(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000455672368 822696824 /nfs/dbraw/zinc/69/68/24/822696824.db2.gz MJOZVNJDBROFHY-UGKGYDQZSA-N 1 1 393.531 4.319 20 0 GIADMO C[C@H](CCNC(=O)Nc1ccc([C@H]2CCOC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000455674803 822697668 /nfs/dbraw/zinc/69/76/68/822697668.db2.gz PYKNSYVOHPDENS-NQIIRXRSSA-N 1 1 381.520 4.223 20 0 GIADMO COc1ccc2cc(C[N@@H+]3CCOC[C@H]3C[C@H](O)c3cccs3)ccc2c1 ZINC000180542885 822699084 /nfs/dbraw/zinc/69/90/84/822699084.db2.gz FFJUHOBLUYGOIA-CTNGQTDRSA-N 1 1 383.513 4.234 20 0 GIADMO COc1ccc2cc(C[N@H+]3CCOC[C@H]3C[C@H](O)c3cccs3)ccc2c1 ZINC000180542885 822699086 /nfs/dbraw/zinc/69/90/86/822699086.db2.gz FFJUHOBLUYGOIA-CTNGQTDRSA-N 1 1 383.513 4.234 20 0 GIADMO COc1ccc2c(c1)[C@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)CC2 ZINC000180543322 822699286 /nfs/dbraw/zinc/69/92/86/822699286.db2.gz ASBUVYKJNZWFAF-QGZVFWFLSA-N 1 1 392.293 4.252 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2Br)c(F)c1 ZINC000180544032 822699464 /nfs/dbraw/zinc/69/94/64/822699464.db2.gz RJDZDHPQUAGXIS-LLVKDONJSA-N 1 1 398.272 4.465 20 0 GIADMO CC(C)c1nnc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000180550146 822700399 /nfs/dbraw/zinc/70/03/99/822700399.db2.gz JTFHFKNBDKEPLA-LBPRGKRZSA-N 1 1 390.406 4.022 20 0 GIADMO COc1cc(F)cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000180557311 822702009 /nfs/dbraw/zinc/70/20/09/822702009.db2.gz ZYZYBRSLVIJEDP-LAUBAEHRSA-N 1 1 399.510 4.029 20 0 GIADMO COc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)cc1OCc1cccnc1 ZINC000180572322 822704406 /nfs/dbraw/zinc/70/44/06/822704406.db2.gz HWGHMHCDPKNDPM-UHFFFAOYSA-N 1 1 385.895 4.293 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)cc1OCc1cccnc1 ZINC000180572322 822704412 /nfs/dbraw/zinc/70/44/12/822704412.db2.gz HWGHMHCDPKNDPM-UHFFFAOYSA-N 1 1 385.895 4.293 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180578779 822705685 /nfs/dbraw/zinc/70/56/85/822705685.db2.gz MXHNQLHXTZNGKJ-INIZCTEOSA-N 1 1 384.373 4.365 20 0 GIADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180591001 822707158 /nfs/dbraw/zinc/70/71/58/822707158.db2.gz WYFSWPRTEALPTI-HNNXBMFYSA-N 1 1 395.469 4.079 20 0 GIADMO CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180601598 822709323 /nfs/dbraw/zinc/70/93/23/822709323.db2.gz GSESAOSGHFHCIC-RDJZCZTQSA-N 1 1 379.884 4.428 20 0 GIADMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000180602298 822709442 /nfs/dbraw/zinc/70/94/42/822709442.db2.gz HCOTUXYFGZPJIZ-OALUTQOASA-N 1 1 392.540 4.205 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000049789751 822709537 /nfs/dbraw/zinc/70/95/37/822709537.db2.gz XKPDMRMJTZMUPL-DNVCBOLYSA-N 1 1 389.927 4.354 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc1OC(F)F ZINC000180604474 822710166 /nfs/dbraw/zinc/71/01/66/822710166.db2.gz CMZPVOVQLVMWFM-CVEARBPZSA-N 1 1 381.419 4.368 20 0 GIADMO O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050032971 822715288 /nfs/dbraw/zinc/71/52/88/822715288.db2.gz GFEVOCHYRDSBKD-IBGZPJMESA-N 1 1 388.471 4.120 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccccc1N1CCCC1 ZINC000050051056 822716139 /nfs/dbraw/zinc/71/61/39/822716139.db2.gz SEACKROPUHYSOV-SFHVURJKSA-N 1 1 398.576 4.382 20 0 GIADMO CN(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCc2ccccc21 ZINC000050137059 822720058 /nfs/dbraw/zinc/72/00/58/822720058.db2.gz MVDJSBOMCIXYFJ-UTKZUKDTSA-N 1 1 383.561 4.289 20 0 GIADMO COc1ccc(CCCN(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000050139135 822720206 /nfs/dbraw/zinc/72/02/06/822720206.db2.gz WCVBSXMCYBLZCV-UHFFFAOYSA-N 1 1 397.563 4.310 20 0 GIADMO Cc1cccc(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000050143219 822720373 /nfs/dbraw/zinc/72/03/73/822720373.db2.gz WCUUERMMYZOZEP-UHFFFAOYSA-N 1 1 380.536 4.154 20 0 GIADMO CCCCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000184976017 822720606 /nfs/dbraw/zinc/72/06/06/822720606.db2.gz BFSYZWYVYGCFHE-JTHBVZDNSA-N 1 1 394.563 4.118 20 0 GIADMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455764181 822722094 /nfs/dbraw/zinc/72/20/94/822722094.db2.gz CKEGJPLASPZNNI-KRWDZBQOSA-N 1 1 388.462 4.179 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000184995191 822723029 /nfs/dbraw/zinc/72/30/29/822723029.db2.gz XFQHGYBCDAWZGT-IBGZPJMESA-N 1 1 389.528 4.414 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[NH+](Cc2cccs2)CC1 ZINC000050274223 822723322 /nfs/dbraw/zinc/72/33/22/822723322.db2.gz KSJJHFXEIZUBST-SFHVURJKSA-N 1 1 385.577 4.325 20 0 GIADMO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1c(C)noc1C ZINC000185001211 822723727 /nfs/dbraw/zinc/72/37/27/822723727.db2.gz TZZJZZZPMGKZOT-HUUCEWRRSA-N 1 1 381.398 4.156 20 0 GIADMO CC(C)Oc1cccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000455773205 822723894 /nfs/dbraw/zinc/72/38/94/822723894.db2.gz UFEJFBITIGQTFC-HXUWFJFHSA-N 1 1 381.520 4.460 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C(C)(F)F)[C@H](C)C1 ZINC000455809442 822730333 /nfs/dbraw/zinc/73/03/33/822730333.db2.gz OHAQVDJKAGFNRQ-WBVHZDCISA-N 1 1 383.483 4.057 20 0 GIADMO C[C@H](CNC(=O)Nc1ccccc1C(C)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000455812792 822730964 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/nfs/dbraw/zinc/80/27/73/822802773.db2.gz RIFXRROBEJCCHC-CQSZACIVSA-N 1 1 377.941 4.186 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000052712176 822808077 /nfs/dbraw/zinc/80/80/77/822808077.db2.gz ZLNWXRWYFGZFGZ-OLZOCXBDSA-N 1 1 396.409 4.400 20 0 GIADMO C[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683121 822809821 /nfs/dbraw/zinc/80/98/21/822809821.db2.gz ABOOBTFWYLWHLB-SJLPKXTDSA-N 1 1 375.582 4.203 20 0 GIADMO C[C@@H](NCc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683121 822809825 /nfs/dbraw/zinc/80/98/25/822809825.db2.gz ABOOBTFWYLWHLB-SJLPKXTDSA-N 1 1 375.582 4.203 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)CCCc1ccccc1 ZINC000052802673 822810996 /nfs/dbraw/zinc/81/09/96/822810996.db2.gz AAMCUASYXYNANU-UHFFFAOYSA-N 1 1 390.531 4.301 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000052803426 822811257 /nfs/dbraw/zinc/81/12/57/822811257.db2.gz SCKZHDHZSBLTKC-LJQANCHMSA-N 1 1 385.533 4.006 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000052803426 822811260 /nfs/dbraw/zinc/81/12/60/822811260.db2.gz SCKZHDHZSBLTKC-LJQANCHMSA-N 1 1 385.533 4.006 20 0 GIADMO C[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697279 822811249 /nfs/dbraw/zinc/81/12/49/822811249.db2.gz ILCKMSXDXOZIEL-KBPBESRZSA-N 1 1 384.351 4.175 20 0 GIADMO C[C@@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699599 822811342 /nfs/dbraw/zinc/81/13/42/822811342.db2.gz NIWIGURLXJYGET-MOPGFXCFSA-N 1 1 378.564 4.104 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2csc3ccccc23)cc1OC ZINC000052805940 822811397 /nfs/dbraw/zinc/81/13/97/822811397.db2.gz IORJEMDMMFBQDW-AWEZNQCLSA-N 1 1 384.501 4.378 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2csc3ccccc23)cc1OC ZINC000052805940 822811401 /nfs/dbraw/zinc/81/14/01/822811401.db2.gz IORJEMDMMFBQDW-AWEZNQCLSA-N 1 1 384.501 4.378 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)on1 ZINC000052822252 822812127 /nfs/dbraw/zinc/81/21/27/822812127.db2.gz VWSRZLJBNDNCGB-NRFANRHFSA-N 1 1 381.520 4.435 20 0 GIADMO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)on1 ZINC000052822252 822812130 /nfs/dbraw/zinc/81/21/30/822812130.db2.gz VWSRZLJBNDNCGB-NRFANRHFSA-N 1 1 381.520 4.435 20 0 GIADMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cc(Cl)ccc1F ZINC000185706969 822812407 /nfs/dbraw/zinc/81/24/07/822812407.db2.gz JKHXHFWGBKRZJN-SOUVJXGZSA-N 1 1 381.923 4.049 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)n1 ZINC000052863039 822813120 /nfs/dbraw/zinc/81/31/20/822813120.db2.gz LILRJVJXUBDXIU-QGZVFWFLSA-N 1 1 398.894 4.385 20 0 GIADMO CN(C)C(=O)c1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)ccc1Cl ZINC000174619694 822813456 /nfs/dbraw/zinc/81/34/56/822813456.db2.gz CZSZUBHXXOHNTL-HXUWFJFHSA-N 1 1 399.922 4.035 20 0 GIADMO CN(C)C(=O)c1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000174619694 822813458 /nfs/dbraw/zinc/81/34/58/822813458.db2.gz CZSZUBHXXOHNTL-HXUWFJFHSA-N 1 1 399.922 4.035 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2)cc1 ZINC000052907410 822814830 /nfs/dbraw/zinc/81/48/30/822814830.db2.gz GUUSAAPIIAUSLB-GOSISDBHSA-N 1 1 381.520 4.109 20 0 GIADMO COc1ccc(CNc2nnc(SCC[C@@H]3CCCC[N@H+]3C)s2)cc1 ZINC000053007045 822818378 /nfs/dbraw/zinc/81/83/78/822818378.db2.gz XBCHLSBCCRBQPF-HNNXBMFYSA-N 1 1 378.567 4.125 20 0 GIADMO C[N@@H+](CCCCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053084043 822820760 /nfs/dbraw/zinc/82/07/60/822820760.db2.gz HSTZQCIMNVPMQZ-HXUWFJFHSA-N 1 1 384.483 4.178 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](CC)[C@H](C)c2ccc(F)cc2)cc1 ZINC000053088071 822821065 /nfs/dbraw/zinc/82/10/65/822821065.db2.gz YDOCKBUIXWUPFV-QGZVFWFLSA-N 1 1 399.510 4.329 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(F)cc2)cc1 ZINC000053088071 822821068 /nfs/dbraw/zinc/82/10/68/822821068.db2.gz YDOCKBUIXWUPFV-QGZVFWFLSA-N 1 1 399.510 4.329 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000053179841 822824966 /nfs/dbraw/zinc/82/49/66/822824966.db2.gz GBOSDVQLEUKGAG-UHFFFAOYSA-N 1 1 392.459 4.373 20 0 GIADMO Cc1cc(C)nc(SCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000053190162 822825621 /nfs/dbraw/zinc/82/56/21/822825621.db2.gz PAZWHBDGJJXEAB-OAHLLOKOSA-N 1 1 384.549 4.056 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccco1 ZINC000053269875 822828488 /nfs/dbraw/zinc/82/84/88/822828488.db2.gz JELVDCCRZFUZJS-MRXNPFEDSA-N 1 1 389.908 4.018 20 0 GIADMO CCOc1cc(C[N@@H+](C)CCC(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000174725277 822828810 /nfs/dbraw/zinc/82/88/10/822828810.db2.gz LQMZGVWWFDOCOE-UHFFFAOYSA-N 1 1 392.446 4.456 20 0 GIADMO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C)c(OC)cc1Cl ZINC000053279480 822828815 /nfs/dbraw/zinc/82/88/15/822828815.db2.gz OPYWXXJUQOHNCQ-SFHVURJKSA-N 1 1 388.895 4.441 20 0 GIADMO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2C)c(OC)cc1Cl ZINC000053279480 822828817 /nfs/dbraw/zinc/82/88/17/822828817.db2.gz OPYWXXJUQOHNCQ-SFHVURJKSA-N 1 1 388.895 4.441 20 0 GIADMO CN(C)C(=O)Sc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000174731414 822829696 /nfs/dbraw/zinc/82/96/96/822829696.db2.gz QXGBGHWSZLNSFV-FQEVSTJZSA-N 1 1 397.544 4.454 20 0 GIADMO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000185893389 822830672 /nfs/dbraw/zinc/83/06/72/822830672.db2.gz PUMYRESNTZTWOK-SNVBAGLBSA-N 1 1 399.130 4.382 20 0 GIADMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000185893389 822830676 /nfs/dbraw/zinc/83/06/76/822830676.db2.gz PUMYRESNTZTWOK-SNVBAGLBSA-N 1 1 399.130 4.382 20 0 GIADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC(C)C)cc1 ZINC000053363904 822831795 /nfs/dbraw/zinc/83/17/95/822831795.db2.gz WLCMTPWXBXDYAX-QGZVFWFLSA-N 1 1 397.519 4.252 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC[N@H+]1C ZINC000174768663 822834730 /nfs/dbraw/zinc/83/47/30/822834730.db2.gz QETTVLHSHIYMPS-QAPCUYQASA-N 1 1 378.476 4.441 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)[C@H](C)C1 ZINC000174773506 822835210 /nfs/dbraw/zinc/83/52/10/822835210.db2.gz XNSAHZOQAGIGNA-RDTXWAMCSA-N 1 1 392.341 4.266 20 0 GIADMO CCCCOc1ccc(OC)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174773139 822835237 /nfs/dbraw/zinc/83/52/37/822835237.db2.gz NKLPDYMNGNCNSW-MSOLQXFVSA-N 1 1 389.540 4.353 20 0 GIADMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000185937508 822835301 /nfs/dbraw/zinc/83/53/01/822835301.db2.gz QHGXDRDVRILNGW-UXPWSPDFSA-N 1 1 382.504 4.003 20 0 GIADMO CC[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000185940517 822835501 /nfs/dbraw/zinc/83/55/01/822835501.db2.gz YTEUJUOZCPUGDW-ZDUSSCGKSA-N 1 1 392.468 4.067 20 0 GIADMO COc1ccc2oc([C@H](C)NC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)c(C)c2c1 ZINC000174779974 822836004 /nfs/dbraw/zinc/83/60/04/822836004.db2.gz DTUUBAPFXKQPMB-IRXDYDNUSA-N 1 1 387.524 4.327 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Cl)s2)[C@@H]1c1cccs1 ZINC000174800136 822838880 /nfs/dbraw/zinc/83/88/80/822838880.db2.gz IPMOIHUWUNHMKI-BLLLJJGKSA-N 1 1 383.970 4.345 20 0 GIADMO CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000053536118 822839619 /nfs/dbraw/zinc/83/96/19/822839619.db2.gz MEZDMDNUUULKTP-MRXNPFEDSA-N 1 1 395.956 4.245 20 0 GIADMO CCSCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000185987828 822841453 /nfs/dbraw/zinc/84/14/53/822841453.db2.gz OPMPBBAJWHFQBB-AEFFLSMTSA-N 1 1 387.549 4.053 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCC2(Sc3ccccc3)CCCC2)CC[N@H+]1C ZINC000174822501 822842055 /nfs/dbraw/zinc/84/20/55/822842055.db2.gz BBNUWFSYFBLBHX-ZWKOTPCHSA-N 1 1 375.582 4.216 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)cc1)C(C)C ZINC000174826437 822842461 /nfs/dbraw/zinc/84/24/61/822842461.db2.gz KTRQVRUGJYYJIX-UHFFFAOYSA-N 1 1 399.482 4.365 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)CCOc1ccccc1OC ZINC000053710720 822845462 /nfs/dbraw/zinc/84/54/62/822845462.db2.gz OTPJOAWOKQRMKI-KRWDZBQOSA-N 1 1 384.520 4.158 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)CCOc1ccccc1OC ZINC000053710720 822845466 /nfs/dbraw/zinc/84/54/66/822845466.db2.gz OTPJOAWOKQRMKI-KRWDZBQOSA-N 1 1 384.520 4.158 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000174847691 822845764 /nfs/dbraw/zinc/84/57/64/822845764.db2.gz WNAHXOMHZZBBGX-LJQANCHMSA-N 1 1 391.519 4.193 20 0 GIADMO COc1ccc(COCC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000053722200 822846218 /nfs/dbraw/zinc/84/62/18/822846218.db2.gz IMSVQZDYOFLGCT-GOSISDBHSA-N 1 1 382.504 4.225 20 0 GIADMO CC(C)(c1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1)C(F)(F)F ZINC000457024056 822846774 /nfs/dbraw/zinc/84/67/74/822846774.db2.gz NUJVQIAHBMJHJD-GOSISDBHSA-N 1 1 376.422 4.313 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000053748219 822847019 /nfs/dbraw/zinc/84/70/19/822847019.db2.gz WFGNQMKULGOOBE-UHFFFAOYSA-N 1 1 376.247 4.204 20 0 GIADMO Cc1cc2c(cc1C)[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CO2 ZINC000186050095 822847199 /nfs/dbraw/zinc/84/71/99/822847199.db2.gz NOJSSOPCYQIYLY-BLIXFSHQSA-N 1 1 384.545 4.040 20 0 GIADMO CC(C)(C(=O)NCC[N@H+]1CCCC1(C)C)c1csc(-c2cccs2)n1 ZINC000457057901 822848751 /nfs/dbraw/zinc/84/87/51/822848751.db2.gz OUPOELGACWOWGP-UHFFFAOYSA-N 1 1 377.579 4.140 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457070479 822849988 /nfs/dbraw/zinc/84/99/88/822849988.db2.gz OOCDLUIDMNSZHH-UHFFFAOYSA-N 1 1 398.469 4.223 20 0 GIADMO CSCc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000186081331 822850024 /nfs/dbraw/zinc/85/00/24/822850024.db2.gz BSBJKKGRLWIFEV-IAGOWNOFSA-N 1 1 384.545 4.411 20 0 GIADMO Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cc12 ZINC000457107096 822853506 /nfs/dbraw/zinc/85/35/06/822853506.db2.gz DUZOHMVUMHOXQW-SFHVURJKSA-N 1 1 396.560 4.009 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000457123594 822855537 /nfs/dbraw/zinc/85/55/37/822855537.db2.gz PHUXJPJBEOMHMA-OAHLLOKOSA-N 1 1 397.466 4.384 20 0 GIADMO Cc1ccc(-c2ocnc2C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174923104 822856542 /nfs/dbraw/zinc/85/65/42/822856542.db2.gz RHGQQOMORCJJCJ-HXUWFJFHSA-N 1 1 389.499 4.244 20 0 GIADMO COc1cccc(C([NH2+]Cc2cccc3c2OCO3)c2cccc(OC)c2)c1 ZINC000174927654 822857146 /nfs/dbraw/zinc/85/71/46/822857146.db2.gz MNLGWVMCLQHGKD-UHFFFAOYSA-N 1 1 377.440 4.312 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000174928636 822857352 /nfs/dbraw/zinc/85/73/52/822857352.db2.gz YNYDVMGFEZBYEH-HXUWFJFHSA-N 1 1 395.522 4.020 20 0 GIADMO C[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000457162448 822858262 /nfs/dbraw/zinc/85/82/62/822858262.db2.gz FSUQMXDSNJUMRB-GOSISDBHSA-N 1 1 378.516 4.012 20 0 GIADMO Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457172330 822858877 /nfs/dbraw/zinc/85/88/77/822858877.db2.gz UNXIHAIIRMPRQF-UHFFFAOYSA-N 1 1 385.577 4.382 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)CCCCC(=O)c3ccccc3)cc2)CC1 ZINC000054012646 822858959 /nfs/dbraw/zinc/85/89/59/822858959.db2.gz GAFJAGRUQLGPFG-UHFFFAOYSA-N 1 1 393.531 4.210 20 0 GIADMO CSCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000186185105 822859102 /nfs/dbraw/zinc/85/91/02/822859102.db2.gz KNLJVMXHPHSHNN-NHCUHLMSSA-N 1 1 389.609 4.216 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000186201725 822860383 /nfs/dbraw/zinc/86/03/83/822860383.db2.gz XSVDVOSTSNHKGG-UHFFFAOYSA-N 1 1 385.817 4.187 20 0 GIADMO CC(C)n1ncc2cc(CN(C)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cnc21 ZINC000174955575 822860700 /nfs/dbraw/zinc/86/07/00/822860700.db2.gz PGQYXAMYCSWTFV-JOCHJYFZSA-N 1 1 377.536 4.109 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+](C)[C@@H]3CCCN(Cc4ccccc4)C3)cnc21 ZINC000174955575 822860704 /nfs/dbraw/zinc/86/07/04/822860704.db2.gz PGQYXAMYCSWTFV-JOCHJYFZSA-N 1 1 377.536 4.109 20 0 GIADMO CC(C)n1ncc2cc(C[N@@H+](C)[C@@H]3CCCN(Cc4ccccc4)C3)cnc21 ZINC000174955575 822860707 /nfs/dbraw/zinc/86/07/07/822860707.db2.gz PGQYXAMYCSWTFV-JOCHJYFZSA-N 1 1 377.536 4.109 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000174957281 822860998 /nfs/dbraw/zinc/86/09/98/822860998.db2.gz XZGUMUDAQIGAIQ-KRWDZBQOSA-N 1 1 376.422 4.300 20 0 GIADMO Cc1cc(C(=O)CCC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000174957945 822861165 /nfs/dbraw/zinc/86/11/65/822861165.db2.gz PGWAVPILXLOKLC-HXUWFJFHSA-N 1 1 398.572 4.308 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000174969494 822862617 /nfs/dbraw/zinc/86/26/17/822862617.db2.gz DCKBAJHTPYKGKO-IBGZPJMESA-N 1 1 391.540 4.404 20 0 GIADMO O=C(Nc1cccc(Oc2cnccn2)c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000174976370 822863333 /nfs/dbraw/zinc/86/33/33/822863333.db2.gz FKURSJYTCSKMPN-FQEVSTJZSA-N 1 1 392.434 4.011 20 0 GIADMO O=C(Nc1cccc(Oc2cnccn2)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000174976370 822863337 /nfs/dbraw/zinc/86/33/37/822863337.db2.gz FKURSJYTCSKMPN-FQEVSTJZSA-N 1 1 392.434 4.011 20 0 GIADMO Cc1ccc(C[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c2ccccn2)cc1 ZINC000174999565 822865557 /nfs/dbraw/zinc/86/55/57/822865557.db2.gz GPIMGVHQPMVBQS-GGAORHGYSA-N 1 1 394.563 4.190 20 0 GIADMO CC(C)c1nc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cs1 ZINC000186254779 822865546 /nfs/dbraw/zinc/86/55/46/822865546.db2.gz RQGHSQDFNFOATA-HUUCEWRRSA-N 1 1 387.549 4.336 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000054174380 822866006 /nfs/dbraw/zinc/86/60/06/822866006.db2.gz MYVJDKGBSBIDEA-RUZDIDTESA-N 1 1 398.510 4.406 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000054174380 822866010 /nfs/dbraw/zinc/86/60/10/822866010.db2.gz MYVJDKGBSBIDEA-RUZDIDTESA-N 1 1 398.510 4.406 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000054182533 822866322 /nfs/dbraw/zinc/86/63/22/822866322.db2.gz MUPCBKVZLBURCL-MRXNPFEDSA-N 1 1 380.879 4.134 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000054176481 822866483 /nfs/dbraw/zinc/86/64/83/822866483.db2.gz RYSVWLCPAQRVDH-UHFFFAOYSA-N 1 1 383.442 4.442 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000054176481 822866486 /nfs/dbraw/zinc/86/64/86/822866486.db2.gz RYSVWLCPAQRVDH-UHFFFAOYSA-N 1 1 383.442 4.442 20 0 GIADMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000186270467 822867922 /nfs/dbraw/zinc/86/79/22/822867922.db2.gz XMELVXDAGVRQND-UHFFFAOYSA-N 1 1 376.497 4.110 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)n1 ZINC000054204631 822868276 /nfs/dbraw/zinc/86/82/76/822868276.db2.gz RQZVSVYKSCGTEC-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)n1 ZINC000054204631 822868277 /nfs/dbraw/zinc/86/82/77/822868277.db2.gz RQZVSVYKSCGTEC-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO CC(C)c1nc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cs1 ZINC000186273861 822868378 /nfs/dbraw/zinc/86/83/78/822868378.db2.gz INCILDKDLWJNOH-OCCSQVGLSA-N 1 1 388.455 4.376 20 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ZINC000569037119 822871848 /nfs/dbraw/zinc/87/18/48/822871848.db2.gz IBFXUNFFOQWUHI-FQEVSTJZSA-N 1 1 392.528 4.199 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCc3ccc(C(C)C)cc32)cn1 ZINC000186293377 822872231 /nfs/dbraw/zinc/87/22/31/822872231.db2.gz XIDWMIGUFTYNIN-NRFANRHFSA-N 1 1 389.503 4.186 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000054295814 822873639 /nfs/dbraw/zinc/87/36/39/822873639.db2.gz VRHCPQZUYZBDKN-ZWKOTPCHSA-N 1 1 396.506 4.295 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000054296576 822873825 /nfs/dbraw/zinc/87/38/25/822873825.db2.gz BWACBHJSXBJGOJ-IBGZPJMESA-N 1 1 378.516 4.109 20 0 GIADMO C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569054333 822874426 /nfs/dbraw/zinc/87/44/26/822874426.db2.gz HPBHXVRFGGVWRV-BVYCBKJFSA-N 1 1 388.515 4.252 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C3CCCCC3)c2C1 ZINC000175059551 822875552 /nfs/dbraw/zinc/87/55/52/822875552.db2.gz RNNHGHMXGWGAFZ-DLBZAZTESA-N 1 1 385.552 4.070 20 0 GIADMO CCc1cccc(CC)c1NC(=O)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000054318629 822876024 /nfs/dbraw/zinc/87/60/24/822876024.db2.gz YXGQHCURUHNXIB-UHFFFAOYSA-N 1 1 385.596 4.338 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000054324377 822876463 /nfs/dbraw/zinc/87/64/63/822876463.db2.gz ZVRHEXNUMDVLNV-QFIPXVFZSA-N 1 1 386.561 4.091 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000186327083 822876567 /nfs/dbraw/zinc/87/65/67/822876567.db2.gz RDPJIPGRNKOYGG-YSZBQJHXSA-N 1 1 392.547 4.085 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000186331031 822877152 /nfs/dbraw/zinc/87/71/52/822877152.db2.gz NSHVWAWCSJKWBE-MRXNPFEDSA-N 1 1 379.460 4.240 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@]2(C)CC=CCC2)c1 ZINC000569079650 822877738 /nfs/dbraw/zinc/87/77/38/822877738.db2.gz UWECOZYWLZCMIS-OPAMFIHVSA-N 1 1 387.499 4.324 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@]2(C)CC=CCC2)c1 ZINC000569079650 822877741 /nfs/dbraw/zinc/87/77/41/822877741.db2.gz UWECOZYWLZCMIS-OPAMFIHVSA-N 1 1 387.499 4.324 20 0 GIADMO C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000054358628 822878142 /nfs/dbraw/zinc/87/81/42/822878142.db2.gz DJWPZUJNDQFKNC-UHFFFAOYSA-N 1 1 393.350 4.379 20 0 GIADMO C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCN(Cc2ccccc2)CC1 ZINC000186340735 822878325 /nfs/dbraw/zinc/87/83/25/822878325.db2.gz LAECKSOSXPBIAL-UHFFFAOYSA-N 1 1 380.532 4.428 20 0 GIADMO CN(Cc1ccc2c(c1)COC(C)(C)O2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000186340735 822878327 /nfs/dbraw/zinc/87/83/27/822878327.db2.gz LAECKSOSXPBIAL-UHFFFAOYSA-N 1 1 380.532 4.428 20 0 GIADMO C[C@@](Cc1ccccc1)(NC(=O)NCc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000569088352 822879026 /nfs/dbraw/zinc/87/90/26/822879026.db2.gz XPZGOOAAUSZMGE-DEOSSOPVSA-N 1 1 388.515 4.177 20 0 GIADMO C[C@H]1CC[C@H](CCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000175087346 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395.484 4.191 20 0 GIADMO CCC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C[C@H]1CCCCO1 ZINC000569150431 822884105 /nfs/dbraw/zinc/88/41/05/822884105.db2.gz SLLGZFSVDJBVMO-CMJOXMDJSA-N 1 1 378.365 4.382 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3cccnc3)cc2)[C@H]1c1ccccc1 ZINC000569149523 822884125 /nfs/dbraw/zinc/88/41/25/822884125.db2.gz MJYQXZBHXHWWHT-FGZHOGPDSA-N 1 1 388.471 4.441 20 0 GIADMO CCOC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000054427950 822884244 /nfs/dbraw/zinc/88/42/44/822884244.db2.gz ATDAVUGBDZOLMI-OAQYLSRUSA-N 1 1 380.488 4.100 20 0 GIADMO CCOC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000054427950 822884249 /nfs/dbraw/zinc/88/42/49/822884249.db2.gz ATDAVUGBDZOLMI-OAQYLSRUSA-N 1 1 380.488 4.100 20 0 GIADMO O=C(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000054429214 822884522 /nfs/dbraw/zinc/88/45/22/822884522.db2.gz AIAGKEQBZZYSMH-QHCPKHFHSA-N 1 1 376.500 4.065 20 0 GIADMO CCCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1OC ZINC000569155353 822885389 /nfs/dbraw/zinc/88/53/89/822885389.db2.gz CLLICJWXCMPWAM-BHIFYINESA-N 1 1 381.516 4.489 20 0 GIADMO CC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000175121000 822886331 /nfs/dbraw/zinc/88/63/31/822886331.db2.gz IBZQLKDRDYPJBA-AVRDEDQJSA-N 1 1 380.536 4.407 20 0 GIADMO CC(C)Oc1ccccc1-c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000569169209 822887591 /nfs/dbraw/zinc/88/75/91/822887591.db2.gz JHYBOMNKEOLWFT-UHFFFAOYSA-N 1 1 379.460 4.023 20 0 GIADMO COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1OC(F)F ZINC000569172316 822888321 /nfs/dbraw/zinc/88/83/21/822888321.db2.gz SZSHOEZAGNRYKF-CEXWTWQISA-N 1 1 389.442 4.301 20 0 GIADMO Cc1nsc(C)c1-c1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000569185313 822890075 /nfs/dbraw/zinc/89/00/75/822890075.db2.gz YAKLAGLPHRQCEY-DYESRHJHSA-N 1 1 380.517 4.364 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000054510931 822891509 /nfs/dbraw/zinc/89/15/09/822891509.db2.gz 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Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000054610515 822899077 /nfs/dbraw/zinc/89/90/77/822899077.db2.gz JJLMQRKCMFBDEP-HNNXBMFYSA-N 1 1 389.459 4.225 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1-n1cccn1 ZINC000186463919 822899532 /nfs/dbraw/zinc/89/95/32/822899532.db2.gz AUEXMBFHERABJP-OAHLLOKOSA-N 1 1 392.894 4.172 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)cn1 ZINC000054625947 822900027 /nfs/dbraw/zinc/90/00/27/822900027.db2.gz LEQWOAVCNYNXPL-UHFFFAOYSA-N 1 1 398.894 4.013 20 0 GIADMO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000457641140 822900139 /nfs/dbraw/zinc/90/01/39/822900139.db2.gz CQOFTUWHOQOHRS-IBGZPJMESA-N 1 1 380.536 4.106 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000186478162 822901779 /nfs/dbraw/zinc/90/17/79/822901779.db2.gz ILPIEOLTDSBHBC-VIZSFHNOSA-N 1 1 380.536 4.259 20 0 GIADMO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000457654130 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822913906 /nfs/dbraw/zinc/91/39/06/822913906.db2.gz BSMXTTGLZDIBOR-MRXNPFEDSA-N 1 1 380.385 4.085 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000457750148 822914205 /nfs/dbraw/zinc/91/42/05/822914205.db2.gz VJIHOVRJCBYFLU-WIYYLYMNSA-N 1 1 397.567 4.454 20 0 GIADMO Cc1ccc(C(=O)C2CCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000054804836 822914252 /nfs/dbraw/zinc/91/42/52/822914252.db2.gz XQWYCKMCVUYDSW-IBGZPJMESA-N 1 1 399.579 4.110 20 0 GIADMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)cc1OC ZINC000054807786 822914637 /nfs/dbraw/zinc/91/46/37/822914637.db2.gz RNRRIYGIVRCBAA-UHFFFAOYSA-N 1 1 396.531 4.352 20 0 GIADMO O=C(c1cccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1)N1CCCCC1 ZINC000054808438 822914714 /nfs/dbraw/zinc/91/47/14/822914714.db2.gz YPKFJPSPXMDRBO-UHFFFAOYSA-N 1 1 376.500 4.308 20 0 GIADMO O=C(Cc1ccccc1OC1CCCC1)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000457757446 822915671 /nfs/dbraw/zinc/91/56/71/822915671.db2.gz ZWCIDCBYRJAJLC-IBGZPJMESA-N 1 1 393.531 4.099 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(-c2cccs2)on1 ZINC000054828193 822916158 /nfs/dbraw/zinc/91/61/58/822916158.db2.gz MVNIRPYNRFRELE-UHFFFAOYSA-N 1 1 388.518 4.488 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2nc(-c3ccco3)no2)cc1 ZINC000569395603 822916178 /nfs/dbraw/zinc/91/61/78/822916178.db2.gz CFKMPHAETABEGV-IBGZPJMESA-N 1 1 375.428 4.412 20 0 GIADMO Oc1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc(C(F)(F)F)c1 ZINC000569413749 822919335 /nfs/dbraw/zinc/91/93/35/822919335.db2.gz VHIXKTLCKIKLMN-UHFFFAOYSA-N 1 1 394.437 4.175 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457785945 822919349 /nfs/dbraw/zinc/91/93/49/822919349.db2.gz MBFFKXFBJKGSRG-MTFMMBMASA-N 1 1 375.944 4.292 20 0 GIADMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000569415907 822919644 /nfs/dbraw/zinc/91/96/44/822919644.db2.gz AXGRIZAHASUKPA-KRWDZBQOSA-N 1 1 386.293 4.443 20 0 GIADMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000569415907 822919647 /nfs/dbraw/zinc/91/96/47/822919647.db2.gz AXGRIZAHASUKPA-KRWDZBQOSA-N 1 1 386.293 4.443 20 0 GIADMO Cc1cc(Br)c(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)s1 ZINC000457793626 822919948 /nfs/dbraw/zinc/91/99/48/822919948.db2.gz AWSNUBRARFNAFM-UHFFFAOYSA-N 1 1 394.338 4.053 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000175274624 822921683 /nfs/dbraw/zinc/92/16/83/822921683.db2.gz CCFYJTPARLBDDK-INIZCTEOSA-N 1 1 394.346 4.316 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000175279226 822922750 /nfs/dbraw/zinc/92/27/50/822922750.db2.gz OJZXPBZIOQIEJX-FQEVSTJZSA-N 1 1 396.506 4.159 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000175280926 822923411 /nfs/dbraw/zinc/92/34/11/822923411.db2.gz HFEFUSKRLJKLFF-IBGZPJMESA-N 1 1 399.604 4.354 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2ccccc2)no1 ZINC000175281182 822923432 /nfs/dbraw/zinc/92/34/32/822923432.db2.gz FFJKFJPSRDIRNZ-FQEVSTJZSA-N 1 1 389.499 4.326 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1coc(Br)c1 ZINC000175282277 822923559 /nfs/dbraw/zinc/92/35/59/822923559.db2.gz MQCZMSVWXCWQMS-MRXNPFEDSA-N 1 1 391.309 4.026 20 0 GIADMO S=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccc2ccccc2c1 ZINC000054943053 822923653 /nfs/dbraw/zinc/92/36/53/822923653.db2.gz SRUJDRUQIJKMKI-UHFFFAOYSA-N 1 1 391.540 4.159 20 0 GIADMO O=C(CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1cc(Cl)ccc1Cl ZINC000186617340 822924427 /nfs/dbraw/zinc/92/44/27/822924427.db2.gz HEAYVRCXMHYMMA-FQEVSTJZSA-N 1 1 391.298 4.453 20 0 GIADMO CCOc1ccc(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000175286113 822924572 /nfs/dbraw/zinc/92/45/72/822924572.db2.gz HWEKYIBGWJJDOK-FQEVSTJZSA-N 1 1 396.531 4.078 20 0 GIADMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC000186628220 822925907 /nfs/dbraw/zinc/92/59/07/822925907.db2.gz HNMDQKRSVNXJOJ-HJPURHCSSA-N 1 1 392.478 4.126 20 0 GIADMO C[C@H](NC(=S)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000054969829 822926140 /nfs/dbraw/zinc/92/61/40/822926140.db2.gz RQQJNGLRKIAWRS-HNNXBMFYSA-N 1 1 389.515 4.155 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NC1(c3c(Cl)cccc3Cl)CCC1)C2 ZINC000569466800 822926725 /nfs/dbraw/zinc/92/67/25/822926725.db2.gz JSMQKSBKXUVYHV-ZDUSSCGKSA-N 1 1 378.303 4.256 20 0 GIADMO CC(C)Oc1ccccc1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175295465 822927447 /nfs/dbraw/zinc/92/74/47/822927447.db2.gz NXWNLTQSVGIUNV-NRFANRHFSA-N 1 1 395.547 4.137 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cs1 ZINC000186646618 822929191 /nfs/dbraw/zinc/92/91/91/822929191.db2.gz RWFUSMMKZJCMET-JOCHJYFZSA-N 1 1 378.497 4.450 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cs1 ZINC000186646618 822929194 /nfs/dbraw/zinc/92/91/94/822929194.db2.gz RWFUSMMKZJCMET-JOCHJYFZSA-N 1 1 378.497 4.450 20 0 GIADMO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569496152 822929841 /nfs/dbraw/zinc/92/98/41/822929841.db2.gz NZTUKGWUGHOCHD-QVKFZJNVSA-N 1 1 382.891 4.154 20 0 GIADMO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569496152 822929844 /nfs/dbraw/zinc/92/98/44/822929844.db2.gz NZTUKGWUGHOCHD-QVKFZJNVSA-N 1 1 382.891 4.154 20 0 GIADMO S=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)Nc1cccc(Cl)c1 ZINC000055005179 822930090 /nfs/dbraw/zinc/93/00/90/822930090.db2.gz SXMWUHWSUDQTCQ-UHFFFAOYSA-N 1 1 375.925 4.024 20 0 GIADMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000569499460 822930183 /nfs/dbraw/zinc/93/01/83/822930183.db2.gz UKADYKXQDVKLOX-LBPRGKRZSA-N 1 1 399.409 4.346 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000569508174 822931560 /nfs/dbraw/zinc/93/15/60/822931560.db2.gz ORMBOKVMQSFRJS-CQSZACIVSA-N 1 1 395.400 4.388 20 0 GIADMO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F)c1ccccc1 ZINC000569511526 822932390 /nfs/dbraw/zinc/93/23/90/822932390.db2.gz ZYHCDXDDMXEMKO-OLZOCXBDSA-N 1 1 379.273 4.116 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(COc2ccccc2)CC1 ZINC000055081622 822936701 /nfs/dbraw/zinc/93/67/01/822936701.db2.gz IGZAIYYEKTXLCU-GOSISDBHSA-N 1 1 382.504 4.203 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102736 822938215 /nfs/dbraw/zinc/93/82/15/822938215.db2.gz RQCZNEUMNJOXRF-CQSZACIVSA-N 1 1 388.895 4.261 20 0 GIADMO COc1cccc(OCC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000055101396 822938226 /nfs/dbraw/zinc/93/82/26/822938226.db2.gz AKYPLHUXAMTDBM-UHFFFAOYSA-N 1 1 382.504 4.477 20 0 GIADMO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000055105102 822938527 /nfs/dbraw/zinc/93/85/27/822938527.db2.gz BRRYJZOTXIMFFQ-HNNXBMFYSA-N 1 1 390.478 4.217 20 0 GIADMO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc([C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)n1)OC2 ZINC000569559463 822939686 /nfs/dbraw/zinc/93/96/86/822939686.db2.gz KXWZSFISSLMXHV-RCJHGTSTSA-N 1 1 393.409 4.285 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc([C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)n1)OC2 ZINC000569559463 822939688 /nfs/dbraw/zinc/93/96/88/822939688.db2.gz 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GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000055177806 822943497 /nfs/dbraw/zinc/94/34/97/822943497.db2.gz DZNSTPYEZVDCTQ-HNNXBMFYSA-N 1 1 379.570 4.035 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000055193832 822944808 /nfs/dbraw/zinc/94/48/08/822944808.db2.gz QWVUAZAXWMQAMG-INIZCTEOSA-N 1 1 389.927 4.308 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000055193624 822944837 /nfs/dbraw/zinc/94/48/37/822944837.db2.gz IZPCLJJRYPEVRU-MRXNPFEDSA-N 1 1 389.927 4.308 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C)cc1OCc1cccnc1 ZINC000569616631 822945257 /nfs/dbraw/zinc/94/52/57/822945257.db2.gz AUCWHKHDCOVXGH-UHFFFAOYSA-N 1 1 391.515 4.367 20 0 GIADMO Cc1nc(-c2c[nH]c(C(=O)N3CCC[N@@H+](Cc4ccc(C)cc4)CC3)c2)cs1 ZINC000055208171 822945769 /nfs/dbraw/zinc/94/57/69/822945769.db2.gz CEZORVIKWQYVGN-UHFFFAOYSA-N 1 1 394.544 4.103 20 0 GIADMO COc1cc(C)c(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1F ZINC000186738654 822947746 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GIADMO CCCCOc1cccc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000175496842 822983676 /nfs/dbraw/zinc/98/36/76/822983676.db2.gz LKJIRCZDLJVPBN-UHFFFAOYSA-N 1 1 382.508 4.359 20 0 GIADMO CC[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1OC(F)F ZINC000175509032 822986606 /nfs/dbraw/zinc/98/66/06/822986606.db2.gz HAFDJPJXIAPGOL-UCMJJCQDSA-N 1 1 381.467 4.054 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)NC(C)(C)C(C)(C)C)CC2)cs1 ZINC000458361343 822986837 /nfs/dbraw/zinc/98/68/37/822986837.db2.gz GYEALCMAZMJROA-UHFFFAOYSA-N 1 1 380.602 4.041 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000175512531 822987821 /nfs/dbraw/zinc/98/78/21/822987821.db2.gz DNULOQKPKLNZTR-GHTZIAJQSA-N 1 1 383.561 4.289 20 0 GIADMO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175517022 822989003 /nfs/dbraw/zinc/98/90/03/822989003.db2.gz WUNZNVLELZYENV-NSHGMRRFSA-N 1 1 386.565 4.319 20 0 GIADMO CCOc1cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)ccc1OCC(F)(F)F ZINC000569950994 822989015 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395.551 4.180 20 0 GIADMO Cc1cc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc(-c2ccncc2)n1 ZINC000060860555 823563011 /nfs/dbraw/zinc/56/30/11/823563011.db2.gz LIORPRMEEQNUFG-UHFFFAOYSA-N 1 1 395.457 4.202 20 0 GIADMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)C1 ZINC000411298219 823563037 /nfs/dbraw/zinc/56/30/37/823563037.db2.gz NHDZUEDYGPVYBX-UONOGXRCSA-N 1 1 385.371 4.384 20 0 GIADMO C[C@@H]([NH2+]Cc1cnn(-c2ccc(F)cc2)c1)c1nc(-c2ccncc2)cs1 ZINC000124054411 823563689 /nfs/dbraw/zinc/56/36/89/823563689.db2.gz UTZVBIVPAFDPEE-CQSZACIVSA-N 1 1 379.464 4.381 20 0 GIADMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1CC ZINC000461039605 823563699 /nfs/dbraw/zinc/56/36/99/823563699.db2.gz XHUXKXIIWXNZMY-CEXWTWQISA-N 1 1 399.362 4.056 20 0 GIADMO NC(CCCc1ccccc1)=[NH+]OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000060875435 823564006 /nfs/dbraw/zinc/56/40/06/823564006.db2.gz HKIQQCUKHKHLEG-UHFFFAOYSA-N 1 1 393.459 4.252 20 0 GIADMO O=C(NC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1)C1CCCCC1 ZINC000411357308 823566089 /nfs/dbraw/zinc/56/60/89/823566089.db2.gz SLBCFCQIZGXUFF-UHFFFAOYSA-N 1 1 397.607 4.333 20 0 GIADMO CC[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2)CC[N@@H+]1CCOC ZINC000461062788 823568220 /nfs/dbraw/zinc/56/82/20/823568220.db2.gz WAFJATHUDLQITR-SFHVURJKSA-N 1 1 384.545 4.021 20 0 GIADMO CC[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2)CC[N@H+]1CCOC ZINC000461062788 823568226 /nfs/dbraw/zinc/56/82/26/823568226.db2.gz WAFJATHUDLQITR-SFHVURJKSA-N 1 1 384.545 4.021 20 0 GIADMO CC(C)[N@H+](Cc1c(F)c(F)c(Br)c(F)c1F)C1CCOCC1 ZINC000411387600 823568702 /nfs/dbraw/zinc/56/87/02/823568702.db2.gz KNOLPNAKJIVOKH-UHFFFAOYSA-N 1 1 384.211 4.395 20 0 GIADMO CC(C)[N@@H+](Cc1c(F)c(F)c(Br)c(F)c1F)C1CCOCC1 ZINC000411387600 823568703 /nfs/dbraw/zinc/56/87/03/823568703.db2.gz KNOLPNAKJIVOKH-UHFFFAOYSA-N 1 1 384.211 4.395 20 0 GIADMO CC(C)c1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190418687 823571102 /nfs/dbraw/zinc/57/11/02/823571102.db2.gz URCCKDREPHHLCV-HXUWFJFHSA-N 1 1 381.520 4.223 20 0 GIADMO C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1csc2ccccc12 ZINC000060997309 823571945 /nfs/dbraw/zinc/57/19/45/823571945.db2.gz NUADPKXBFMTAAH-UHFFFAOYSA-N 1 1 390.455 4.251 20 0 GIADMO C[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1csc2ccccc12 ZINC000060997309 823571948 /nfs/dbraw/zinc/57/19/48/823571948.db2.gz NUADPKXBFMTAAH-UHFFFAOYSA-N 1 1 390.455 4.251 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124158376 823572820 /nfs/dbraw/zinc/57/28/20/823572820.db2.gz ZTNZDPHAYCWMRD-HNNXBMFYSA-N 1 1 381.451 4.048 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000411432669 823573599 /nfs/dbraw/zinc/57/35/99/823573599.db2.gz ZAIIKWZSMKJKFH-INIZCTEOSA-N 1 1 380.414 4.211 20 0 GIADMO c1ccc(OCC2CC2)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124180565 823575035 /nfs/dbraw/zinc/57/50/35/823575035.db2.gz XENLSHPSINUTJZ-HXUWFJFHSA-N 1 1 380.536 4.173 20 0 GIADMO COc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)c1OC ZINC000190449498 823575963 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398.572 4.235 20 0 GIADMO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)c1nc(C2CC2)no1 ZINC000411494367 823581306 /nfs/dbraw/zinc/58/13/06/823581306.db2.gz UCAQATFZPCHZNC-MRXNPFEDSA-N 1 1 396.413 4.281 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000411513139 823583060 /nfs/dbraw/zinc/58/30/60/823583060.db2.gz OEOYLBSNWDLVRF-FTJNGKRUSA-N 1 1 390.496 4.336 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC000411515691 823583189 /nfs/dbraw/zinc/58/31/89/823583189.db2.gz IGHVCFBGGXJWQP-VIFPVBQESA-N 1 1 391.235 4.071 20 0 GIADMO C[C@@H](c1nnc(SCC[C@@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)N(C)C ZINC000124294007 823584794 /nfs/dbraw/zinc/58/47/94/823584794.db2.gz ICQKYULUWMVAOJ-HOCLYGCPSA-N 1 1 393.988 4.120 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000061226100 823585368 /nfs/dbraw/zinc/58/53/68/823585368.db2.gz YQNUDUZFWRTOKC-UHFFFAOYSA-N 1 1 376.501 4.031 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000190555255 823585853 /nfs/dbraw/zinc/58/58/53/823585853.db2.gz VUBUGGHAKWXFDS-CABCVRRESA-N 1 1 381.455 4.138 20 0 GIADMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)N(C)c3ccccc3)n2)cc1 ZINC000411534227 823585848 /nfs/dbraw/zinc/58/58/48/823585848.db2.gz NVRLPVPJUFKNOC-MRXNPFEDSA-N 1 1 378.476 4.003 20 0 GIADMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000190562661 823586822 /nfs/dbraw/zinc/58/68/22/823586822.db2.gz UTQBAKQUAFGPAH-QKLQHJQFSA-N 1 1 392.503 4.099 20 0 GIADMO CC[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cccc(Cl)c1 ZINC000061254060 823587416 /nfs/dbraw/zinc/58/74/16/823587416.db2.gz LETAGRQXGCVUJT-UHFFFAOYSA-N 1 1 388.817 4.346 20 0 GIADMO CC[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cccc(Cl)c1 ZINC000061254060 823587419 /nfs/dbraw/zinc/58/74/19/823587419.db2.gz LETAGRQXGCVUJT-UHFFFAOYSA-N 1 1 388.817 4.346 20 0 GIADMO Brc1ccc([C@@H]([NH2+]Cc2nnc3n2CCCCC3)C2CC2)s1 ZINC000190572486 823587557 /nfs/dbraw/zinc/58/75/57/823587557.db2.gz FEYHCVNXCMTKOQ-INIZCTEOSA-N 1 1 381.343 4.069 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCc2csc3ccccc23)cn1 ZINC000124346337 823588939 /nfs/dbraw/zinc/58/89/39/823588939.db2.gz DCVWIJPDIVVFMA-UHFFFAOYSA-N 1 1 390.512 4.430 20 0 GIADMO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411620290 823591429 /nfs/dbraw/zinc/59/14/29/823591429.db2.gz MCFNNQZJMWBZBY-HXUWFJFHSA-N 1 1 387.505 4.030 20 0 GIADMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411620290 823591430 /nfs/dbraw/zinc/59/14/30/823591430.db2.gz MCFNNQZJMWBZBY-HXUWFJFHSA-N 1 1 387.505 4.030 20 0 GIADMO COCC[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCC[C@@H]1C ZINC000411625271 823592173 /nfs/dbraw/zinc/59/21/73/823592173.db2.gz LCXCYKMKSXXJOV-DZGCQCFKSA-N 1 1 387.505 4.294 20 0 GIADMO Cc1noc(C[C@@H](NCc2cccc(C[NH+]3CCCCC3)c2)c2ccccc2)n1 ZINC000411631404 823592666 /nfs/dbraw/zinc/59/26/66/823592666.db2.gz AVSPGHVNVMCJJH-HSZRJFAPSA-N 1 1 390.531 4.438 20 0 GIADMO CCCCOc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000190641844 823594402 /nfs/dbraw/zinc/59/44/02/823594402.db2.gz JHNXSMFPNFDOFB-WBVHZDCISA-N 1 1 381.948 4.143 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1cc[nH]n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000411651397 823594386 /nfs/dbraw/zinc/59/43/86/823594386.db2.gz CMJUCROFLPBDCR-OAQYLSRUSA-N 1 1 376.460 4.368 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1C1CC1 ZINC000124418684 823595111 /nfs/dbraw/zinc/59/51/11/823595111.db2.gz CNVZEHDWMDDISG-SJORKVTESA-N 1 1 396.535 4.377 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1cc[nH]n1)Nc1ccccc1Oc1ccccc1 ZINC000411657498 823595144 /nfs/dbraw/zinc/59/51/44/823595144.db2.gz UGEKDTANIFZVTF-HXUWFJFHSA-N 1 1 376.460 4.368 20 0 GIADMO Cc1ccc2ncc(C[NH2+][C@H](CO)c3ccccc3OC(F)(F)F)cc2c1 ZINC000411670068 823596235 /nfs/dbraw/zinc/59/62/35/823596235.db2.gz RINHFLFYURNSPI-GOSISDBHSA-N 1 1 376.378 4.265 20 0 GIADMO CC[N@H+](Cc1ccc(S(C)(=O)=O)o1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000411672271 823596396 /nfs/dbraw/zinc/59/63/96/823596396.db2.gz GTDHAXRECUHJGW-ZDUSSCGKSA-N 1 1 389.439 4.155 20 0 GIADMO CC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000411672271 823596398 /nfs/dbraw/zinc/59/63/98/823596398.db2.gz GTDHAXRECUHJGW-ZDUSSCGKSA-N 1 1 389.439 4.155 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CC[C@H](C(F)(F)F)C(C)(C)C3)CC2)[nH+]c1 ZINC000190673404 823597312 /nfs/dbraw/zinc/59/73/12/823597312.db2.gz INJATQRTVJOKQG-INIZCTEOSA-N 1 1 383.458 4.043 20 0 GIADMO C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000411694434 823597594 /nfs/dbraw/zinc/59/75/94/823597594.db2.gz QZFKYYBJRGYBEY-MRVPVSSYSA-N 1 1 379.354 4.120 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000124458130 823598354 /nfs/dbraw/zinc/59/83/54/823598354.db2.gz CFKYNLKDIJQVCO-LJQANCHMSA-N 1 1 393.531 4.037 20 0 GIADMO Clc1c(Br)cccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000411714198 823599125 /nfs/dbraw/zinc/59/91/25/823599125.db2.gz CZEZOHNFLQQAIV-GFCCVEGCSA-N 1 1 382.689 4.352 20 0 GIADMO Nc1nc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)nc2ccccc12 ZINC000411715687 823599344 /nfs/dbraw/zinc/59/93/44/823599344.db2.gz CZIIWAIPZAJEDP-SFHVURJKSA-N 1 1 388.393 4.182 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411737073 823601029 /nfs/dbraw/zinc/60/10/29/823601029.db2.gz OOZYCTOIOAQPRJ-QFIPXVFZSA-N 1 1 384.426 4.047 20 0 GIADMO c1ncc(CCN(Cc2ccncc2)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000411754730 823602626 /nfs/dbraw/zinc/60/26/26/823602626.db2.gz HUWNRQRTXRHWJI-JOCHJYFZSA-N 1 1 392.572 4.247 20 0 GIADMO c1ncc(CC[N@H+](Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000411754730 823602628 /nfs/dbraw/zinc/60/26/28/823602628.db2.gz HUWNRQRTXRHWJI-JOCHJYFZSA-N 1 1 392.572 4.247 20 0 GIADMO c1ncc(CC[N@@H+](Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000411754730 823602629 /nfs/dbraw/zinc/60/26/29/823602629.db2.gz HUWNRQRTXRHWJI-JOCHJYFZSA-N 1 1 392.572 4.247 20 0 GIADMO CC(C)[C@@H](C(=O)Oc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)[NH+]1CCCCC1 ZINC000124522493 823603214 /nfs/dbraw/zinc/60/32/14/823603214.db2.gz IDXIJHVKISOJFU-MOPGFXCFSA-N 1 1 399.491 4.004 20 0 GIADMO O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000411762254 823603377 /nfs/dbraw/zinc/60/33/77/823603377.db2.gz WXZPGWMOTJOYCL-VGOFRKELSA-N 1 1 398.572 4.366 20 0 GIADMO CC[N@H+](Cc1cc(=O)c(O)co1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000124536641 823604592 /nfs/dbraw/zinc/60/45/92/823604592.db2.gz XNIAWNHDEXYJCP-CQSZACIVSA-N 1 1 396.306 4.167 20 0 GIADMO CC[N@@H+](Cc1cc(=O)c(O)co1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000124536641 823604596 /nfs/dbraw/zinc/60/45/96/823604596.db2.gz XNIAWNHDEXYJCP-CQSZACIVSA-N 1 1 396.306 4.167 20 0 GIADMO O=c1cc(C[N@H+](Cc2ccccc2OC(F)(F)F)C2CCCC2)occ1O ZINC000124544948 823605086 /nfs/dbraw/zinc/60/50/86/823605086.db2.gz MOAIYZVLBOLXAV-UHFFFAOYSA-N 1 1 383.366 4.189 20 0 GIADMO O=c1cc(C[N@@H+](Cc2ccccc2OC(F)(F)F)C2CCCC2)occ1O ZINC000124544948 823605089 /nfs/dbraw/zinc/60/50/89/823605089.db2.gz MOAIYZVLBOLXAV-UHFFFAOYSA-N 1 1 383.366 4.189 20 0 GIADMO Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124547910 823605547 /nfs/dbraw/zinc/60/55/47/823605547.db2.gz LRAQYEMCNQWQRQ-LEWJYISDSA-N 1 1 397.563 4.150 20 0 GIADMO COc1c(C)cnc(C[N@@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)c1C ZINC000411797290 823605620 /nfs/dbraw/zinc/60/56/20/823605620.db2.gz UIUCMESXPJOEFK-UHFFFAOYSA-N 1 1 395.425 4.186 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000461255413 823605940 /nfs/dbraw/zinc/60/59/40/823605940.db2.gz CTSDMGIFDUDRGL-MRXNPFEDSA-N 1 1 377.941 4.410 20 0 GIADMO COc1ccc2oc(C)c(C(=O)NCc3ccccc3-n3cc[nH+]c3C)c2c1 ZINC000061624075 823606857 /nfs/dbraw/zinc/60/68/57/823606857.db2.gz GUTIMSWDNRZRIU-UHFFFAOYSA-N 1 1 375.428 4.174 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1(c2ccccc2)CCC1 ZINC000061634165 823607048 /nfs/dbraw/zinc/60/70/48/823607048.db2.gz VTIPOHFZNFUWOY-UHFFFAOYSA-N 1 1 379.548 4.448 20 0 GIADMO CCc1sc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1C ZINC000124570034 823607261 /nfs/dbraw/zinc/60/72/61/823607261.db2.gz UHWANMZNXIIOQO-MOPGFXCFSA-N 1 1 391.625 4.028 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000461261310 823607431 /nfs/dbraw/zinc/60/74/31/823607431.db2.gz HYTMKNWJKVRFMY-CQSZACIVSA-N 1 1 383.414 4.013 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC[N@H+]1C ZINC000124579122 823607955 /nfs/dbraw/zinc/60/79/55/823607955.db2.gz XUAVKACOVDNVPH-QLVMHMETSA-N 1 1 388.458 4.026 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000461263896 823608337 /nfs/dbraw/zinc/60/83/37/823608337.db2.gz KKASTRGBPYBFJT-NRFANRHFSA-N 1 1 384.495 4.351 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000124594300 823609385 /nfs/dbraw/zinc/60/93/85/823609385.db2.gz JKNVLIHHOVHFDW-UHFFFAOYSA-N 1 1 388.943 4.015 20 0 GIADMO Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2C[C@@H]2CCCCO2)n1 ZINC000190791807 823609583 /nfs/dbraw/zinc/60/95/83/823609583.db2.gz ZUBNKZXWHFIMBY-BBRMVZONSA-N 1 1 392.297 4.205 20 0 GIADMO CCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)sc1C ZINC000124620432 823611811 /nfs/dbraw/zinc/61/18/11/823611811.db2.gz FDRSJGDAOKUISJ-UXHICEINSA-N 1 1 391.625 4.028 20 0 GIADMO CCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)sc1C ZINC000124619980 823611825 /nfs/dbraw/zinc/61/18/25/823611825.db2.gz FDRSJGDAOKUISJ-PMACEKPBSA-N 1 1 391.625 4.028 20 0 GIADMO Cc1[nH+]ccn1CCCCSc1cc(C(=O)NC2CC2)c2ccccc2n1 ZINC000124649164 823614091 /nfs/dbraw/zinc/61/40/91/823614091.db2.gz BQBDXLHELFRCHY-UHFFFAOYSA-N 1 1 380.517 4.204 20 0 GIADMO Cc1[nH+]ccn1CCCCSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000124652207 823614444 /nfs/dbraw/zinc/61/44/44/823614444.db2.gz RWNUXQRKCYXAHC-UHFFFAOYSA-N 1 1 382.468 4.032 20 0 GIADMO C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789679 823614540 /nfs/dbraw/zinc/61/45/40/823614540.db2.gz ANDJWURTMCMZBC-SFHVURJKSA-N 1 1 383.561 4.378 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000411939636 823615244 /nfs/dbraw/zinc/61/52/44/823615244.db2.gz KOBBDSOCEQLVFB-IRXDYDNUSA-N 1 1 389.377 4.063 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000411939636 823615246 /nfs/dbraw/zinc/61/52/46/823615246.db2.gz KOBBDSOCEQLVFB-IRXDYDNUSA-N 1 1 389.377 4.063 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cs2)c(OC)c1 ZINC000411940864 823615390 /nfs/dbraw/zinc/61/53/90/823615390.db2.gz LJEADRIYWANRSA-PXNSSMCTSA-N 1 1 396.512 4.135 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cs2)c(OC)c1 ZINC000411940864 823615391 /nfs/dbraw/zinc/61/53/91/823615391.db2.gz LJEADRIYWANRSA-PXNSSMCTSA-N 1 1 396.512 4.135 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000411945931 823615655 /nfs/dbraw/zinc/61/56/55/823615655.db2.gz OECQWYYJELHJHX-QZTJIDSGSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000411945931 823615657 /nfs/dbraw/zinc/61/56/57/823615657.db2.gz OECQWYYJELHJHX-QZTJIDSGSA-N 1 1 399.288 4.412 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)CC[N@H+]1C ZINC000124671077 823615941 /nfs/dbraw/zinc/61/59/41/823615941.db2.gz PUGBFEGIGWQWRH-MAUKXSAKSA-N 1 1 387.524 4.068 20 0 GIADMO Cc1cc(C)c(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000190849395 823616309 /nfs/dbraw/zinc/61/63/09/823616309.db2.gz QDGYJJROTLRMLH-OAQYLSRUSA-N 1 1 381.520 4.024 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1 ZINC000061864039 823616464 /nfs/dbraw/zinc/61/64/64/823616464.db2.gz IJEPBZULDVEKLA-OAHLLOKOSA-N 1 1 391.462 4.300 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000411956114 823616551 /nfs/dbraw/zinc/61/65/51/823616551.db2.gz VZSRKBYIZWDXEI-MAUKXSAKSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000411956114 823616553 /nfs/dbraw/zinc/61/65/53/823616553.db2.gz VZSRKBYIZWDXEI-MAUKXSAKSA-N 1 1 399.288 4.412 20 0 GIADMO COCc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000061868622 823617018 /nfs/dbraw/zinc/61/70/18/823617018.db2.gz HJKDBWCEKOJPJY-LJQANCHMSA-N 1 1 395.547 4.064 20 0 GIADMO Cc1sc2nc([C@@H](C)N3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)[nH]c(=O)c2c1C ZINC000411980457 823617623 /nfs/dbraw/zinc/61/76/23/823617623.db2.gz GSDGVXBAVVAPOP-GDBMZVCRSA-N 1 1 396.560 4.281 20 0 GIADMO CC(C)[C@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000411982183 823617957 /nfs/dbraw/zinc/61/79/57/823617957.db2.gz CGMATIXAFBPYGV-ZEQRLZLVSA-N 1 1 392.543 4.354 20 0 GIADMO CC(C)[C@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000411982183 823617958 /nfs/dbraw/zinc/61/79/58/823617958.db2.gz CGMATIXAFBPYGV-ZEQRLZLVSA-N 1 1 392.543 4.354 20 0 GIADMO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411989018 823618386 /nfs/dbraw/zinc/61/83/86/823618386.db2.gz OSRNTFZYBYLFOC-CYFREDJKSA-N 1 1 390.527 4.208 20 0 GIADMO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411989018 823618389 /nfs/dbraw/zinc/61/83/89/823618389.db2.gz OSRNTFZYBYLFOC-CYFREDJKSA-N 1 1 390.527 4.208 20 0 GIADMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411989022 823618412 /nfs/dbraw/zinc/61/84/12/823618412.db2.gz OSRNTFZYBYLFOC-NTKDMRAZSA-N 1 1 390.527 4.208 20 0 GIADMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411989022 823618414 /nfs/dbraw/zinc/61/84/14/823618414.db2.gz OSRNTFZYBYLFOC-NTKDMRAZSA-N 1 1 390.527 4.208 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cn2c(cccc2C)n1)C(C)C ZINC000411991514 823618626 /nfs/dbraw/zinc/61/86/26/823618626.db2.gz XVHYYXOSNOFEIG-LJQANCHMSA-N 1 1 399.560 4.015 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411990680 823618735 /nfs/dbraw/zinc/61/87/35/823618735.db2.gz RQBKECJQCOCQNU-XMMPIXPASA-N 1 1 392.543 4.277 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411990680 823618736 /nfs/dbraw/zinc/61/87/36/823618736.db2.gz RQBKECJQCOCQNU-XMMPIXPASA-N 1 1 392.543 4.277 20 0 GIADMO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)n1 ZINC000190878291 823618888 /nfs/dbraw/zinc/61/88/88/823618888.db2.gz XTDCBNYKXMCFIV-UHFFFAOYSA-N 1 1 397.404 4.367 20 0 GIADMO O=C1[C@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCN1c1cccc(F)c1 ZINC000411998048 823619829 /nfs/dbraw/zinc/61/98/29/823619829.db2.gz KBSMYNZPXALLQM-YADHBBJMSA-N 1 1 394.490 4.175 20 0 GIADMO O=C1[C@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCN1c1cccc(F)c1 ZINC000411998048 823619831 /nfs/dbraw/zinc/61/98/31/823619831.db2.gz KBSMYNZPXALLQM-YADHBBJMSA-N 1 1 394.490 4.175 20 0 GIADMO O=C1[C@H]([N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCCN1c1cccc(F)c1 ZINC000411998044 823619945 /nfs/dbraw/zinc/61/99/45/823619945.db2.gz KBSMYNZPXALLQM-FGZHOGPDSA-N 1 1 394.490 4.175 20 0 GIADMO O=C1[C@H]([N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCCN1c1cccc(F)c1 ZINC000411998044 823619948 /nfs/dbraw/zinc/61/99/48/823619948.db2.gz KBSMYNZPXALLQM-FGZHOGPDSA-N 1 1 394.490 4.175 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCSc3c(F)cccc32)C1 ZINC000061960044 823620028 /nfs/dbraw/zinc/62/00/28/823620028.db2.gz CQPYQOARNKNQLB-DAYGRLMNSA-N 1 1 379.545 4.030 20 0 GIADMO CC[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1ccc(F)cc1 ZINC000461336737 823620060 /nfs/dbraw/zinc/62/00/60/823620060.db2.gz FDHRIHAWHWSYLO-HSZRJFAPSA-N 1 1 380.507 4.369 20 0 GIADMO CSc1ccc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412000471 823620202 /nfs/dbraw/zinc/62/02/02/823620202.db2.gz OIYSNJVJKDXCIW-NRFANRHFSA-N 1 1 382.529 4.201 20 0 GIADMO CSc1ccc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412000471 823620205 /nfs/dbraw/zinc/62/02/05/823620205.db2.gz OIYSNJVJKDXCIW-NRFANRHFSA-N 1 1 382.529 4.201 20 0 GIADMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002376 823620609 /nfs/dbraw/zinc/62/06/09/823620609.db2.gz UCMCVNFDSICIDG-JTAQYXEDSA-N 1 1 392.543 4.414 20 0 GIADMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002376 823620611 /nfs/dbraw/zinc/62/06/11/823620611.db2.gz UCMCVNFDSICIDG-JTAQYXEDSA-N 1 1 392.543 4.414 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2nccn2-c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000190898309 823621573 /nfs/dbraw/zinc/62/15/73/823621573.db2.gz OWQUFNLMTVNCKL-MRXNPFEDSA-N 1 1 375.451 4.356 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)c2ccccc2)CCOCC1 ZINC000412006154 823621619 /nfs/dbraw/zinc/62/16/19/823621619.db2.gz CARCWSWNULFWND-QFIPXVFZSA-N 1 1 394.540 4.430 20 0 GIADMO COc1cc(F)cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000124733005 823621671 /nfs/dbraw/zinc/62/16/71/823621671.db2.gz HPMISMBVLDQCQI-OXQOHEQNSA-N 1 1 385.483 4.351 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000412007069 823621783 /nfs/dbraw/zinc/62/17/83/823621783.db2.gz WNKYNQPEJHUDBW-BVYCBKJFSA-N 1 1 382.935 4.124 20 0 GIADMO C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)Oc1ccccc1Cl ZINC000461349880 823621722 /nfs/dbraw/zinc/62/17/22/823621722.db2.gz DTJHYIDKUMCOAO-FZKQIMNGSA-N 1 1 381.303 4.180 20 0 GIADMO OCC1([C@H]([NH2+]Cc2ncc(-c3ccccc3)s2)c2ccccc2)CCOCC1 ZINC000412013391 823622606 /nfs/dbraw/zinc/62/26/06/823622606.db2.gz ULTXEOHFEYCKGI-JOCHJYFZSA-N 1 1 394.540 4.430 20 0 GIADMO COC1([C@H](C)[NH2+]Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)CCC1 ZINC000412020454 823622995 /nfs/dbraw/zinc/62/29/95/823622995.db2.gz KODSPHKDRPFUEH-INIZCTEOSA-N 1 1 387.549 4.492 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@@H](C)C2(OC)CCC2)cs1 ZINC000412021964 823623331 /nfs/dbraw/zinc/62/33/31/823623331.db2.gz PRKQQODIJHHPLH-HNNXBMFYSA-N 1 1 387.549 4.437 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C(C)(C)COC(C)C)cs1)c1ccc(F)cc1 ZINC000412044699 823624006 /nfs/dbraw/zinc/62/40/06/823624006.db2.gz YBBLWXIYCVHNML-UHFFFAOYSA-N 1 1 379.501 4.260 20 0 GIADMO CC[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCSc2ccc(Br)cc21 ZINC000461382145 823626810 /nfs/dbraw/zinc/62/68/10/823626810.db2.gz AHGCBQOAWUTAQF-YPMHNXCESA-N 1 1 384.261 4.231 20 0 GIADMO CC(C)Sc1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190970769 823632445 /nfs/dbraw/zinc/63/24/45/823632445.db2.gz OMTCPLYMWCIWML-HXUWFJFHSA-N 1 1 398.572 4.208 20 0 GIADMO COc1c(C[NH2+]Cc2cccc(OCCCc3ccccc3)c2)c(C)nn1C ZINC000461419379 823632559 /nfs/dbraw/zinc/63/25/59/823632559.db2.gz DQZCLRCDYNFLOJ-UHFFFAOYSA-N 1 1 379.504 4.039 20 0 GIADMO COc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C1CC1 ZINC000461423561 823633444 /nfs/dbraw/zinc/63/34/44/823633444.db2.gz GELMAVZUOISYBC-FCHUYYIVSA-N 1 1 390.527 4.167 20 0 GIADMO COc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C1CC1 ZINC000461423564 823633496 /nfs/dbraw/zinc/63/34/96/823633496.db2.gz GELMAVZUOISYBC-VXKWHMMOSA-N 1 1 390.527 4.167 20 0 GIADMO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461425410 823634032 /nfs/dbraw/zinc/63/40/32/823634032.db2.gz IXLRSIDAWBQZBA-QIJUGHKUSA-N 1 1 396.962 4.499 20 0 GIADMO COCCN(C)c1ccc(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cn1 ZINC000190983478 823634389 /nfs/dbraw/zinc/63/43/89/823634389.db2.gz JKINOUNWAADSJI-MRXNPFEDSA-N 1 1 382.533 4.139 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427801 823634678 /nfs/dbraw/zinc/63/46/78/823634678.db2.gz QRYQSGPIZIOWMT-NHCUHLMSSA-N 1 1 394.563 4.147 20 0 GIADMO CCOc1cc(Cl)ccc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461427565 823634706 /nfs/dbraw/zinc/63/47/06/823634706.db2.gz KYXWXETXTMFFCI-OALUTQOASA-N 1 1 398.934 4.333 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(CNC[C@H](C)[NH+]3CCC(C)CC3)c2)cc1 ZINC000062423504 823634873 /nfs/dbraw/zinc/63/48/73/823634873.db2.gz DVVYRXZLIFVMRU-IBGZPJMESA-N 1 1 395.547 4.158 20 0 GIADMO COc1cc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc(OC)c1OCc1ccccc1 ZINC000062426972 823635155 /nfs/dbraw/zinc/63/51/55/823635155.db2.gz ISCHQWIXTZQWQJ-FQEVSTJZSA-N 1 1 398.547 4.103 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000412202819 823635375 /nfs/dbraw/zinc/63/53/75/823635375.db2.gz FFCQLBXLQXSICK-VOFXCDAESA-N 1 1 392.543 4.216 20 0 GIADMO O=C(c1ccc(OC2CCC2)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461438341 823637551 /nfs/dbraw/zinc/63/75/51/823637551.db2.gz LEYICNZPFUTKKZ-YADHBBJMSA-N 1 1 390.527 4.212 20 0 GIADMO CSCc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000461439329 823637724 /nfs/dbraw/zinc/63/77/24/823637724.db2.gz QTZRXPQQKXSVSP-YADHBBJMSA-N 1 1 380.557 4.144 20 0 GIADMO O=C(c1coc2cc(F)ccc12)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439374 823637751 /nfs/dbraw/zinc/63/77/51/823637751.db2.gz QZRLYNCJGKRPMP-ZWKOTPCHSA-N 1 1 378.447 4.166 20 0 GIADMO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)c1 ZINC000124928623 823637781 /nfs/dbraw/zinc/63/77/81/823637781.db2.gz YBUAYPDTJYJKFF-LBPRGKRZSA-N 1 1 399.293 4.498 20 0 GIADMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccc(Cl)c1 ZINC000461439776 823637809 /nfs/dbraw/zinc/63/78/09/823637809.db2.gz UWRSVSBPEVWPFW-WMQCIHAUSA-N 1 1 382.935 4.424 20 0 GIADMO CC[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461440173 823637944 /nfs/dbraw/zinc/63/79/44/823637944.db2.gz AOJNSPJTLTZFBM-XJUOHMSHSA-N 1 1 380.507 4.300 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)C1 ZINC000062485890 823638169 /nfs/dbraw/zinc/63/81/69/823638169.db2.gz VTWZWMDGPRHEDN-KDURUIRLSA-N 1 1 396.579 4.425 20 0 GIADMO COc1ccc2occ(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC000461442794 823638632 /nfs/dbraw/zinc/63/86/32/823638632.db2.gz FUCKKHOLGCOEQA-OALUTQOASA-N 1 1 390.483 4.036 20 0 GIADMO Cc1cc(F)cc2[nH]c(C(=O)N3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000461447408 823639584 /nfs/dbraw/zinc/63/95/84/823639584.db2.gz IIGOUFZDLYQTDE-RTBURBONSA-N 1 1 391.490 4.210 20 0 GIADMO O=C(CCc1ccc(Cl)s1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448868 823639860 /nfs/dbraw/zinc/63/98/60/823639860.db2.gz VRLGLDHTGDXENX-QZTJIDSGSA-N 1 1 388.964 4.315 20 0 GIADMO C[C@H](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412263807 823641234 /nfs/dbraw/zinc/64/12/34/823641234.db2.gz ZXOMXIVLDHUQCY-RCZSKKKRSA-N 1 1 392.543 4.358 20 0 GIADMO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461456964 823641492 /nfs/dbraw/zinc/64/14/92/823641492.db2.gz OLIHOQPAPUJPDU-COPCDDAFSA-N 1 1 396.962 4.499 20 0 GIADMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457676 823641665 /nfs/dbraw/zinc/64/16/65/823641665.db2.gz QRCALZCOVKVHPB-RBUKOAKNSA-N 1 1 388.433 4.300 20 0 GIADMO COc1ccc2c(c1)C1(CC1)CN(C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C2 ZINC000461458986 823641915 /nfs/dbraw/zinc/64/19/15/823641915.db2.gz XQROPKJHZHMSOJ-FQEVSTJZSA-N 1 1 384.907 4.025 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2cc[nH]n2)s1 ZINC000461466336 823642914 /nfs/dbraw/zinc/64/29/14/823642914.db2.gz IAVZKIFQAUJVGV-GOSISDBHSA-N 1 1 394.544 4.170 20 0 GIADMO Cc1nc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c(Br)s1 ZINC000412310666 823645203 /nfs/dbraw/zinc/64/52/03/823645203.db2.gz DTKARISOECDFAG-UHFFFAOYSA-N 1 1 388.718 4.181 20 0 GIADMO COc1ccc([C@@H](C)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1NC(C)=O ZINC000125015831 823645260 /nfs/dbraw/zinc/64/52/60/823645260.db2.gz RHYPBRDOOYBORI-JPYJTQIMSA-N 1 1 395.547 4.450 20 0 GIADMO CC(C)n1ncc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1-c1ccccc1 ZINC000412315884 823645785 /nfs/dbraw/zinc/64/57/85/823645785.db2.gz LXMOIXZTXBGCQU-UHFFFAOYSA-N 1 1 380.536 4.079 20 0 GIADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1cccs1 ZINC000461488516 823647002 /nfs/dbraw/zinc/64/70/02/823647002.db2.gz HSOIIDNJYSMRQH-YESZJQIVSA-N 1 1 375.586 4.210 20 0 GIADMO COCC[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000412376517 823650762 /nfs/dbraw/zinc/65/07/62/823650762.db2.gz IHLJAIOAUIRUQE-ROUUACIJSA-N 1 1 386.458 4.164 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cc(Br)ccc2F)cc1NC(C)=O ZINC000125094925 823651367 /nfs/dbraw/zinc/65/13/67/823651367.db2.gz GBUXAZLHQJXNHX-NSHDSACASA-N 1 1 395.272 4.406 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)C ZINC000191146673 823653709 /nfs/dbraw/zinc/65/37/09/823653709.db2.gz YQGMAKHIVURQPN-OTWHNJEPSA-N 1 1 384.568 4.232 20 0 GIADMO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)[C@@H]4CC[N@@H+](C)[C@H](C)C4)ccc32)c1 ZINC000191160384 823654949 /nfs/dbraw/zinc/65/49/49/823654949.db2.gz LWUKXACFXSNWPK-UYAOXDASSA-N 1 1 390.531 4.197 20 0 GIADMO C[N@H+]1CC[C@H](CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)C1 ZINC000191194127 823658260 /nfs/dbraw/zinc/65/82/60/823658260.db2.gz SIAURWFVRMQOMC-AWEZNQCLSA-N 1 1 388.924 4.284 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125212067 823659497 /nfs/dbraw/zinc/65/94/97/823659497.db2.gz VIHNPORMBWNOHF-QGZVFWFLSA-N 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20 0 GIADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2nc(C(F)F)nc3ccc(Cl)cc32)C1 ZINC000413183981 823723478 /nfs/dbraw/zinc/72/34/78/823723478.db2.gz MTHKOXRBYTZXFF-ZDUSSCGKSA-N 1 1 380.870 4.389 20 0 GIADMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000574424953 823726210 /nfs/dbraw/zinc/72/62/10/823726210.db2.gz NWRYUNHULVLAKU-CQSZACIVSA-N 1 1 391.309 4.187 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1OC ZINC000191661848 823726444 /nfs/dbraw/zinc/72/64/44/823726444.db2.gz YRWWMYAVTBQULR-MRXNPFEDSA-N 1 1 392.293 4.339 20 0 GIADMO Cc1cc(=O)n2nc(C[N@@H+]3CCCC[C@@H]3c3ccc(C(C)C)cc3)sc2n1 ZINC000125847996 823727757 /nfs/dbraw/zinc/72/77/57/823727757.db2.gz CKCWMRPTURGNSS-GOSISDBHSA-N 1 1 382.533 4.310 20 0 GIADMO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)CC(F)(F)F ZINC000413212746 823729370 /nfs/dbraw/zinc/72/93/70/823729370.db2.gz ZELMXSGHANFGKW-GJZGRUSLSA-N 1 1 391.503 4.238 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)cs2)cc1 ZINC000574439260 823729957 /nfs/dbraw/zinc/72/99/57/823729957.db2.gz MRDFMRYMNADGFB-FQEVSTJZSA-N 1 1 391.540 4.456 20 0 GIADMO CC(C)(C)OCc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000125859613 823731265 /nfs/dbraw/zinc/73/12/65/823731265.db2.gz YQHGSOAWTZVUBR-IRLDBZIGSA-N 1 1 399.579 4.160 20 0 GIADMO OC[C@@H]1CN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CCC1(F)F ZINC000461872175 823731818 /nfs/dbraw/zinc/73/18/18/823731818.db2.gz QQDQYYYJYGDWBA-LBPRGKRZSA-N 1 1 397.263 4.329 20 0 GIADMO C[N@@H+](CCNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)Cc1ccccc1 ZINC000064040121 823739928 /nfs/dbraw/zinc/73/99/28/823739928.db2.gz LSUUBUKZUPHIHF-UHFFFAOYSA-N 1 1 399.538 4.111 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000125906363 823740994 /nfs/dbraw/zinc/74/09/94/823740994.db2.gz RTIQITIXLJOPTB-KRWDZBQOSA-N 1 1 380.513 4.345 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000125906363 823741000 /nfs/dbraw/zinc/74/10/00/823741000.db2.gz RTIQITIXLJOPTB-KRWDZBQOSA-N 1 1 380.513 4.345 20 0 GIADMO CC[C@H](CNC(=O)c1sc(C(F)(F)F)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000461905704 823748095 /nfs/dbraw/zinc/74/80/95/823748095.db2.gz CATWPSHGDAUQPI-OAHLLOKOSA-N 1 1 397.466 4.037 20 0 GIADMO CC[C@H](CNC(=O)c1sc(C(F)(F)F)nc1C)[N@H+]1CCc2ccccc2C1 ZINC000461905704 823748103 /nfs/dbraw/zinc/74/81/03/823748103.db2.gz CATWPSHGDAUQPI-OAHLLOKOSA-N 1 1 397.466 4.037 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Cl)c1Br)c1ccco1 ZINC000191728602 823749381 /nfs/dbraw/zinc/74/93/81/823749381.db2.gz HNEXSHAQBMNNHP-LBPRGKRZSA-N 1 1 386.677 4.120 20 0 GIADMO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC000461910398 823750322 /nfs/dbraw/zinc/75/03/22/823750322.db2.gz ZKGQFVDCXVAJRI-CVEARBPZSA-N 1 1 381.358 4.181 20 0 GIADMO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(Br)c1 ZINC000461910401 823750366 /nfs/dbraw/zinc/75/03/66/823750366.db2.gz ZKGQFVDCXVAJRI-JKSUJKDBSA-N 1 1 381.358 4.181 20 0 GIADMO Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125957799 823752749 /nfs/dbraw/zinc/75/27/49/823752749.db2.gz IAAAEWRVNIINAC-DHIUTWEWSA-N 1 1 389.474 4.433 20 0 GIADMO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC(F)(F)F ZINC000413325004 823752840 /nfs/dbraw/zinc/75/28/40/823752840.db2.gz JVOFIXHZOUOXNA-DZKIICNBSA-N 1 1 391.503 4.409 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1 ZINC000125972450 823756631 /nfs/dbraw/zinc/75/66/31/823756631.db2.gz DYXLNYHKJJTYQX-YADHBBJMSA-N 1 1 375.447 4.125 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NCc2cnccc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000413351060 823757338 /nfs/dbraw/zinc/75/73/38/823757338.db2.gz AGBKLPPMPSPVSU-NQIIRXRSSA-N 1 1 394.563 4.231 20 0 GIADMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000574534901 823757630 /nfs/dbraw/zinc/75/76/30/823757630.db2.gz DBLIUCADRJBOSK-JOCHJYFZSA-N 1 1 376.504 4.402 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000163911810 823759913 /nfs/dbraw/zinc/75/99/13/823759913.db2.gz NFOJQYLXAIKHPH-OAHLLOKOSA-N 1 1 376.342 4.161 20 0 GIADMO COc1cc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000125987550 823760478 /nfs/dbraw/zinc/76/04/78/823760478.db2.gz QITSEHRQBMPSTH-LJQANCHMSA-N 1 1 398.503 4.268 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000461928498 823761069 /nfs/dbraw/zinc/76/10/69/823761069.db2.gz MYJWJJKLTRDGME-STQMWFEESA-N 1 1 396.304 4.039 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC000413365094 823761036 /nfs/dbraw/zinc/76/10/36/823761036.db2.gz UMMSEJWBCGVLAS-HNNXBMFYSA-N 1 1 388.471 4.170 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)Nc3cc(F)ccc3OCC3CC3)CC2)[nH+]1 ZINC000191768684 823761204 /nfs/dbraw/zinc/76/12/04/823761204.db2.gz KZCPFZRPRKTUEJ-UHFFFAOYSA-N 1 1 398.482 4.108 20 0 GIADMO Cc1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574559210 823766471 /nfs/dbraw/zinc/76/64/71/823766471.db2.gz FZHNLEWQQIQJDF-GOSISDBHSA-N 1 1 388.302 4.402 20 0 GIADMO Cc1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574559210 823766476 /nfs/dbraw/zinc/76/64/76/823766476.db2.gz FZHNLEWQQIQJDF-GOSISDBHSA-N 1 1 388.302 4.402 20 0 GIADMO CC[C@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000574562332 823766721 /nfs/dbraw/zinc/76/67/21/823766721.db2.gz CIHPWJCCVHZCDM-FDDCHVKYSA-N 1 1 390.531 4.269 20 0 GIADMO FC(F)(F)[C@@H]1CCN(c2cc[nH+]cc2Br)CC12CCOCC2 ZINC000413407024 823770887 /nfs/dbraw/zinc/77/08/87/823770887.db2.gz QQGDYOCBGOVQBA-CYBMUJFWSA-N 1 1 379.220 4.030 20 0 GIADMO Cc1ccnc([C@@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)c1 ZINC000574581398 823771186 /nfs/dbraw/zinc/77/11/86/823771186.db2.gz JRDUPRQZTFVLRN-BEFAXECRSA-N 1 1 389.421 4.004 20 0 GIADMO Cc1ccnc([C@@H]2CC[N@H+]([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)c1 ZINC000574581398 823771202 /nfs/dbraw/zinc/77/12/02/823771202.db2.gz JRDUPRQZTFVLRN-BEFAXECRSA-N 1 1 389.421 4.004 20 0 GIADMO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H]1C ZINC000191803440 823773784 /nfs/dbraw/zinc/77/37/84/823773784.db2.gz PFKSOASYSHZSLW-WBMJQRKESA-N 1 1 398.450 4.460 20 0 GIADMO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H]1C ZINC000191803440 823773788 /nfs/dbraw/zinc/77/37/88/823773788.db2.gz PFKSOASYSHZSLW-WBMJQRKESA-N 1 1 398.450 4.460 20 0 GIADMO NC(=O)[C@H]([NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccccc1 ZINC000126052795 823775649 /nfs/dbraw/zinc/77/56/49/823775649.db2.gz RFFZTNIXPUPYGO-SJLPKXTDSA-N 1 1 381.476 4.143 20 0 GIADMO C[C@H]1CCSCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000191812485 823778530 /nfs/dbraw/zinc/77/85/30/823778530.db2.gz OIWSOGDUHZNPLC-SFHVURJKSA-N 1 1 378.545 4.321 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000413457382 823781625 /nfs/dbraw/zinc/78/16/25/823781625.db2.gz OGDYARVLHYKELW-QHCPKHFHSA-N 1 1 393.531 4.071 20 0 GIADMO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc(N2CCCC2=O)cc1 ZINC000191820823 823782136 /nfs/dbraw/zinc/78/21/36/823782136.db2.gz VKGSLXIBKORGGF-AWEZNQCLSA-N 1 1 398.304 4.298 20 0 GIADMO CCc1nc(C)c([C@@H](C)[NH2+][C@H](CCSC)c2nnc3ccccn32)s1 ZINC000164195320 823785365 /nfs/dbraw/zinc/78/53/65/823785365.db2.gz BVKHSHGDWMHHFM-TZMCWYRMSA-N 1 1 375.567 4.202 20 0 GIADMO Clc1cccc(C2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)c1Cl ZINC000461992566 823786435 /nfs/dbraw/zinc/78/64/35/823786435.db2.gz WTWOKKPUUZUKBU-UHFFFAOYSA-N 1 1 393.318 4.004 20 0 GIADMO CSCC[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1nnc2ccccn21 ZINC000164246331 823789317 /nfs/dbraw/zinc/78/93/17/823789317.db2.gz DZTDTBDZGZBPIR-XJKSGUPXSA-N 1 1 392.475 4.476 20 0 GIADMO Cc1nc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000064316830 823790114 /nfs/dbraw/zinc/79/01/14/823790114.db2.gz SDIVHWFHECTMCT-KRWDZBQOSA-N 1 1 383.439 4.153 20 0 GIADMO O=C(Nc1ccc(F)c(F)c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000064316653 823790152 /nfs/dbraw/zinc/79/01/52/823790152.db2.gz BNGZHFRAWJTZSI-SFHVURJKSA-N 1 1 384.348 4.358 20 0 GIADMO C[C@@H]1SCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000574654239 823791743 /nfs/dbraw/zinc/79/17/43/823791743.db2.gz NVKYSLLVSHWVEA-CNNODRBYSA-N 1 1 380.557 4.327 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000164285445 823792482 /nfs/dbraw/zinc/79/24/82/823792482.db2.gz DQTRZQSVIRPAKL-QUCCMNQESA-N 1 1 394.515 4.434 20 0 GIADMO CC(C)c1c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccccc1Cl ZINC000191839377 823792886 /nfs/dbraw/zinc/79/28/86/823792886.db2.gz POLWRSKYDXGSLN-INIZCTEOSA-N 1 1 388.943 4.063 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000462009970 823793255 /nfs/dbraw/zinc/79/32/55/823793255.db2.gz MPVZQLXLKCRVQD-GOSISDBHSA-N 1 1 399.583 4.059 20 0 GIADMO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413556659 823796489 /nfs/dbraw/zinc/79/64/89/823796489.db2.gz SYSRYZMUMVLBNZ-AEFFLSMTSA-N 1 1 385.474 4.176 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000191862878 823798451 /nfs/dbraw/zinc/79/84/51/823798451.db2.gz LATQKAWOBXEELF-HZPDHXFCSA-N 1 1 389.540 4.146 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)c(OC)c1 ZINC000164421829 823802249 /nfs/dbraw/zinc/80/22/49/823802249.db2.gz BKRRRKLWQFCBRA-CYBMUJFWSA-N 1 1 399.516 4.390 20 0 GIADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cccc(C(F)F)c1 ZINC000191882178 823803117 /nfs/dbraw/zinc/80/31/17/823803117.db2.gz XVRPMDGFDGANAL-LJQANCHMSA-N 1 1 389.446 4.037 20 0 GIADMO CCCCN1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000164489662 823804752 /nfs/dbraw/zinc/80/47/52/823804752.db2.gz BRSYKZSAKXGUST-OAHLLOKOSA-N 1 1 396.373 4.020 20 0 GIADMO CC(C)[N@H+]1CCCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462036295 823805504 /nfs/dbraw/zinc/80/55/04/823805504.db2.gz MJVQLNFQWFGDTD-CQSZACIVSA-N 1 1 385.321 4.025 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)c1ccc([S@@](C)=O)cc1 ZINC000164511338 823805920 /nfs/dbraw/zinc/80/59/20/823805920.db2.gz LCLSWEDADCKMAR-JMQGSBJISA-N 1 1 396.556 4.500 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000164511638 823806099 /nfs/dbraw/zinc/80/60/99/823806099.db2.gz KIWJNRWBTXKUFA-WBVHZDCISA-N 1 1 389.952 4.328 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OCC ZINC000164535510 823807610 /nfs/dbraw/zinc/80/76/10/823807610.db2.gz VMAXCCJPIBGDAF-MAUKXSAKSA-N 1 1 394.943 4.084 20 0 GIADMO O=C(c1cnn(-c2ccccc2Cl)c1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000064393713 823809434 /nfs/dbraw/zinc/80/94/34/823809434.db2.gz PEPNWBHNZLLSAU-GOSISDBHSA-N 1 1 392.890 4.151 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1cc2ccccc2o1 ZINC000574723529 823809609 /nfs/dbraw/zinc/80/96/09/823809609.db2.gz RMKRAQXDWIKDMT-HNULKUCHSA-N 1 1 384.520 4.014 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccccc1Oc1ccc(C)cc1)C2 ZINC000574727598 823811372 /nfs/dbraw/zinc/81/13/72/823811372.db2.gz CEIRBHCQQUNAMA-GOSISDBHSA-N 1 1 375.472 4.171 20 0 GIADMO C[C@@H](N[C@H](C)c1cccc(Cl)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000126208728 823812737 /nfs/dbraw/zinc/81/27/37/823812737.db2.gz PYSKAEDSLOHSJR-QZTJIDSGSA-N 1 1 399.966 4.160 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000462055231 823814710 /nfs/dbraw/zinc/81/47/10/823814710.db2.gz PVQJOBHWRTZOOT-FZKQIMNGSA-N 1 1 384.351 4.428 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1nc(C(C)(C)C)cs1 ZINC000126242697 823819236 /nfs/dbraw/zinc/81/92/36/823819236.db2.gz JJPANGNFJHSCAG-UXLLHSPISA-N 1 1 390.597 4.160 20 0 GIADMO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164863979 823823646 /nfs/dbraw/zinc/82/36/46/823823646.db2.gz DEVNMMXCRSLKKW-JKSUJKDBSA-N 1 1 385.474 4.277 20 0 GIADMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164863979 823823655 /nfs/dbraw/zinc/82/36/55/823823655.db2.gz DEVNMMXCRSLKKW-JKSUJKDBSA-N 1 1 385.474 4.277 20 0 GIADMO CC[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000413723985 823826070 /nfs/dbraw/zinc/82/60/70/823826070.db2.gz CBOONTUDMGTZFY-WDSOQIARSA-N 1 1 397.485 4.129 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000574788527 823826411 /nfs/dbraw/zinc/82/64/11/823826411.db2.gz GPPAQNJXDWOOBY-UHFFFAOYSA-N 1 1 384.520 4.075 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c(F)c1 ZINC000164984243 823828792 /nfs/dbraw/zinc/82/87/92/823828792.db2.gz PEUXEABSKQBRMI-OAHLLOKOSA-N 1 1 382.435 4.208 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc2c(c1)COC2)C1CCCCC1 ZINC000064489968 823830064 /nfs/dbraw/zinc/83/00/64/823830064.db2.gz KABLRGOHXKABCY-UHFFFAOYSA-N 1 1 378.516 4.411 20 0 GIADMO C[C@H](c1cccc2ccccc21)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000064518001 823833735 /nfs/dbraw/zinc/83/37/35/823833735.db2.gz ZIXTVTFKNUWEBW-QGZVFWFLSA-N 1 1 380.454 4.487 20 0 GIADMO Cc1ccc(OCCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C ZINC000064522343 823835887 /nfs/dbraw/zinc/83/58/87/823835887.db2.gz VJDHVNSKBYJRBT-IBGZPJMESA-N 1 1 386.561 4.162 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000462125386 823837458 /nfs/dbraw/zinc/83/74/58/823837458.db2.gz ZTQFVYVGHYCHMG-UHFFFAOYSA-N 1 1 387.911 4.019 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc(Br)cs1)Cc1ccncc1 ZINC000574847177 823841648 /nfs/dbraw/zinc/84/16/48/823841648.db2.gz WPBQRLJOJCKMOJ-QGZVFWFLSA-N 1 1 394.382 4.392 20 0 GIADMO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300040 823842346 /nfs/dbraw/zinc/84/23/46/823842346.db2.gz MDVZKDLRZFORBL-ICSRJNTNSA-N 1 1 391.559 4.132 20 0 GIADMO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300040 823842353 /nfs/dbraw/zinc/84/23/53/823842353.db2.gz MDVZKDLRZFORBL-ICSRJNTNSA-N 1 1 391.559 4.132 20 0 GIADMO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300408 823842591 /nfs/dbraw/zinc/84/25/91/823842591.db2.gz MDVZKDLRZFORBL-UYAOXDASSA-N 1 1 391.559 4.132 20 0 GIADMO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300408 823842599 /nfs/dbraw/zinc/84/25/99/823842599.db2.gz MDVZKDLRZFORBL-UYAOXDASSA-N 1 1 391.559 4.132 20 0 GIADMO COCc1cc([C@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324610 823843091 /nfs/dbraw/zinc/84/30/91/823843091.db2.gz ZNQFBVCIPIZPSW-FPOVZHCZSA-N 1 1 382.548 4.057 20 0 GIADMO COCc1cc([C@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324610 823843101 /nfs/dbraw/zinc/84/31/01/823843101.db2.gz ZNQFBVCIPIZPSW-FPOVZHCZSA-N 1 1 382.548 4.057 20 0 GIADMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)c1ccc(Cl)cc1 ZINC000413807945 823843522 /nfs/dbraw/zinc/84/35/22/823843522.db2.gz QORIZABEUQAHTJ-IBGZPJMESA-N 1 1 388.943 4.154 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462148293 823845252 /nfs/dbraw/zinc/84/52/52/823845252.db2.gz BJMNBYRCLMMIEB-CYBMUJFWSA-N 1 1 397.466 4.207 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000462161596 823849234 /nfs/dbraw/zinc/84/92/34/823849234.db2.gz YMTVURCILCSSGP-FDDCHVKYSA-N 1 1 387.483 4.124 20 0 GIADMO CN(C(=O)NCc1ccc2sccc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462165542 823850696 /nfs/dbraw/zinc/85/06/96/823850696.db2.gz JSQKZYNPEVHODE-HXUWFJFHSA-N 1 1 379.529 4.317 20 0 GIADMO Fc1cc([C@H]2OCC[C@@H]2[NH2+]Cc2nc(-c3ccsc3)no2)ccc1Cl ZINC000192082141 823853945 /nfs/dbraw/zinc/85/39/45/823853945.db2.gz IHLZJKNRGNHXTD-GOEBONIOSA-N 1 1 379.844 4.210 20 0 GIADMO C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cccs1 ZINC000165582516 823854193 /nfs/dbraw/zinc/85/41/93/823854193.db2.gz QNXXUPUVMHMKDS-AWEZNQCLSA-N 1 1 383.483 4.370 20 0 GIADMO Cc1ccc2[nH]cc(CCC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c2c1 ZINC000462175544 823854607 /nfs/dbraw/zinc/85/46/07/823854607.db2.gz KTACDIHCZLIPAI-JPYJTQIMSA-N 1 1 375.516 4.046 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000064628011 823854779 /nfs/dbraw/zinc/85/47/79/823854779.db2.gz VZWRABCIIBOYQB-CQSZACIVSA-N 1 1 395.837 4.187 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000462184606 823859180 /nfs/dbraw/zinc/85/91/80/823859180.db2.gz BCZPCPLZFXCCDS-OXQOHEQNSA-N 1 1 390.449 4.432 20 0 GIADMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000126411071 823860349 /nfs/dbraw/zinc/86/03/49/823860349.db2.gz IWMZYYYCMJGVBY-XMMPIXPASA-N 1 1 393.531 4.031 20 0 GIADMO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)sc2nccc(C)c12 ZINC000462188471 823861147 /nfs/dbraw/zinc/86/11/47/823861147.db2.gz IEESYSDIKMZYDY-MAUKXSAKSA-N 1 1 379.529 4.163 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000462190975 823862370 /nfs/dbraw/zinc/86/23/70/823862370.db2.gz RUIRGSAGCNPEJU-LSTHTHJFSA-N 1 1 390.449 4.359 20 0 GIADMO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000574929216 823862473 /nfs/dbraw/zinc/86/24/73/823862473.db2.gz USZFPGSFVQDDCS-ABQRKTDGSA-N 1 1 376.544 4.379 20 0 GIADMO C[C@@H]([NH2+][C@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000165838657 823864202 /nfs/dbraw/zinc/86/42/02/823864202.db2.gz GDMPHXVRPLGDCU-QRQCRPRQSA-N 1 1 391.425 4.381 20 0 GIADMO CC(=O)NCC[C@@H]1CCC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000574944182 823867418 /nfs/dbraw/zinc/86/74/18/823867418.db2.gz FWONOIZJZHGCIO-SFHVURJKSA-N 1 1 386.486 4.335 20 0 GIADMO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000574945796 823867696 /nfs/dbraw/zinc/86/76/96/823867696.db2.gz ARKUODXFUXSQMR-RBUKOAKNSA-N 1 1 397.494 4.210 20 0 GIADMO c1[nH+]c(C2CCN(c3nn4cc(C5CCCC5)nc4s3)CC2)n2c1CCCC2 ZINC000574954018 823870191 /nfs/dbraw/zinc/87/01/91/823870191.db2.gz LNZAZORCLLDWIH-UHFFFAOYSA-N 1 1 396.564 4.365 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c2ccccc2O1 ZINC000574959707 823872355 /nfs/dbraw/zinc/87/23/55/823872355.db2.gz PQUNNGDVXUQOGF-VWFIUDSGSA-N 1 1 399.560 4.343 20 0 GIADMO CCCOc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OCC ZINC000064725680 823872459 /nfs/dbraw/zinc/87/24/59/823872459.db2.gz XACMNDPLGUIGJA-WSTZPKSXSA-N 1 1 388.552 4.352 20 0 GIADMO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574960837 823872924 /nfs/dbraw/zinc/87/29/24/823872924.db2.gz CVNKMVMRBSQSST-KSSFIOAISA-N 1 1 396.350 4.053 20 0 GIADMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574960837 823872929 /nfs/dbraw/zinc/87/29/29/823872929.db2.gz CVNKMVMRBSQSST-KSSFIOAISA-N 1 1 396.350 4.053 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)n2)ccc1F ZINC000192138117 823874924 /nfs/dbraw/zinc/87/49/24/823874924.db2.gz BIEHFWAMNDTLQG-PKOBYXMFSA-N 1 1 389.377 4.082 20 0 GIADMO Cc1cc(C)n(-c2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c(C(F)(F)F)c2)n1 ZINC000166313753 823875373 /nfs/dbraw/zinc/87/53/73/823875373.db2.gz RATHIKBATHHYGY-ZWKOTPCHSA-N 1 1 392.469 4.224 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000126469190 823876335 /nfs/dbraw/zinc/87/63/35/823876335.db2.gz LHHWKXMOUBFWNW-KRWDZBQOSA-N 1 1 393.314 4.349 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000064737090 823876508 /nfs/dbraw/zinc/87/65/08/823876508.db2.gz KZOCMFHKAWRMBT-JTQLQIEISA-N 1 1 396.438 4.195 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000064737450 823876567 /nfs/dbraw/zinc/87/65/67/823876567.db2.gz LSEADCVZOFOXGB-GOSISDBHSA-N 1 1 399.498 4.110 20 0 GIADMO CC(C)c1cccc2c1OCC[C@@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000166783278 823882862 /nfs/dbraw/zinc/88/28/62/823882862.db2.gz NDJUMCUTDRUXPF-DEOSSOPVSA-N 1 1 394.559 4.380 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc(Br)c2)C1 ZINC000462228972 823883117 /nfs/dbraw/zinc/88/31/17/823883117.db2.gz CEEWLLLYMBIENT-HOTGVXAUSA-N 1 1 381.358 4.037 20 0 GIADMO C[C@@](Cc1cccc(Br)c1)([NH2+]Cc1ncccn1)c1ccccc1 ZINC000192159304 823885438 /nfs/dbraw/zinc/88/54/38/823885438.db2.gz GXTAGNGFRLGGOI-FQEVSTJZSA-N 1 1 382.305 4.487 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1Br ZINC000462232258 823885694 /nfs/dbraw/zinc/88/56/94/823885694.db2.gz HPGDPVBNTNVHCZ-KBXCAEBGSA-N 1 1 388.309 4.091 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cnc4c(F)cccc4c3)c2)C[C@@H](C)O1 ZINC000575007845 823885935 /nfs/dbraw/zinc/88/59/35/823885935.db2.gz RBNYPOAKYYXYRD-HZPDHXFCSA-N 1 1 393.462 4.235 20 0 GIADMO CC(C)[N@@H+](CCC(=O)N1CCOCC1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000064801765 823887965 /nfs/dbraw/zinc/88/79/65/823887965.db2.gz GGIGZRPWQFCDPF-UHFFFAOYSA-N 1 1 390.524 4.014 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000462237931 823889318 /nfs/dbraw/zinc/88/93/18/823889318.db2.gz AANBSNHBCNPBLC-FQEVSTJZSA-N 1 1 381.520 4.288 20 0 GIADMO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126537856 823893368 /nfs/dbraw/zinc/89/33/68/823893368.db2.gz UFOIYIQTXASWKG-AOMKIAJQSA-N 1 1 377.532 4.136 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC[C@@H]21 ZINC000167737775 823894697 /nfs/dbraw/zinc/89/46/97/823894697.db2.gz NGVPEBKOWUHGTM-LPHOPBHVSA-N 1 1 390.959 4.278 20 0 GIADMO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000462246945 823895593 /nfs/dbraw/zinc/89/55/93/823895593.db2.gz NARGQCYTXXBRKW-GMBSWORKSA-N 1 1 391.353 4.028 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]1C(F)F ZINC000575036248 823896004 /nfs/dbraw/zinc/89/60/04/823896004.db2.gz ITGOWCVZUAMSLV-RTBURBONSA-N 1 1 379.495 4.118 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000167920796 823898224 /nfs/dbraw/zinc/89/82/24/823898224.db2.gz DUJGNJIKZYFLOE-HZPDHXFCSA-N 1 1 375.314 4.276 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000575043336 823898508 /nfs/dbraw/zinc/89/85/08/823898508.db2.gz VMCNXLCSCOWKBF-APWZRJJASA-N 1 1 378.944 4.294 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2C)[NH2+][C@@H](C)c2ccn(C)n2)cc1OC ZINC000414066120 823899779 /nfs/dbraw/zinc/89/97/79/823899779.db2.gz GRSGLVNHGGQYKN-LAUBAEHRSA-N 1 1 379.504 4.380 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000575052061 823900170 /nfs/dbraw/zinc/90/01/70/823900170.db2.gz QAEFXXCDHVZMTK-UHFFFAOYSA-N 1 1 392.503 4.021 20 0 GIADMO CC(C)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000462254863 823900547 /nfs/dbraw/zinc/90/05/47/823900547.db2.gz KHGUGASOQNLGNY-KRWDZBQOSA-N 1 1 392.590 4.062 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)ccc1OCc1ccccc1 ZINC000414069622 823900701 /nfs/dbraw/zinc/90/07/01/823900701.db2.gz RWMZMLNXVQJICK-QGZVFWFLSA-N 1 1 377.488 4.268 20 0 GIADMO O=c1[nH]c(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000575065823 823902462 /nfs/dbraw/zinc/90/24/62/823902462.db2.gz FNSDNIBYSPIHLI-YJBOKZPZSA-N 1 1 390.270 4.262 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)COc2ccccc2C(F)(F)F)s1 ZINC000414077595 823902989 /nfs/dbraw/zinc/90/29/89/823902989.db2.gz RFNMHPAEKMQNMM-WDEREUQCSA-N 1 1 388.411 4.067 20 0 GIADMO CC(C)OCc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462264353 823905496 /nfs/dbraw/zinc/90/54/96/823905496.db2.gz XESVIVGIEOWIRE-XMSQKQJNSA-N 1 1 381.520 4.254 20 0 GIADMO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@@H+](CCO[C@@H]1CCCCO1)C2 ZINC000575078869 823906234 /nfs/dbraw/zinc/90/62/34/823906234.db2.gz LORKNFHDPMKBCO-JOCHJYFZSA-N 1 1 395.503 4.232 20 0 GIADMO CCN(C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[C@@H](C)Cc1ccsc1 ZINC000462268215 823906398 /nfs/dbraw/zinc/90/63/98/823906398.db2.gz BKCOTYKOMVWWRE-KRWDZBQOSA-N 1 1 386.565 4.214 20 0 GIADMO Cc1cc(CNC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000462271360 823908320 /nfs/dbraw/zinc/90/83/20/823908320.db2.gz SRWUYHKWKIDCOO-NYHFZMIOSA-N 1 1 398.938 4.378 20 0 GIADMO Cc1cccc(C)c1Oc1ccccc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000064903752 823909202 /nfs/dbraw/zinc/90/92/02/823909202.db2.gz PGXYMHUKFYAVKD-UHFFFAOYSA-N 1 1 399.560 4.104 20 0 GIADMO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462301251 823916806 /nfs/dbraw/zinc/91/68/06/823916806.db2.gz VQTRZAHHVOXOQS-KDOFPFPSSA-N 1 1 398.981 4.071 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)N(Cc1cccc(-c3cccnc3)c1)C1CC1)CC2 ZINC000575129166 823918780 /nfs/dbraw/zinc/91/87/80/823918780.db2.gz CSJIOBVHHANTBX-OAQYLSRUSA-N 1 1 386.499 4.007 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)c1nc2c(s1)CCC2 ZINC000414158765 823920102 /nfs/dbraw/zinc/92/01/02/823920102.db2.gz UWWAACIAKZUJRY-HUUCEWRRSA-N 1 1 382.533 4.356 20 0 GIADMO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575134565 823920222 /nfs/dbraw/zinc/92/02/22/823920222.db2.gz BTZHSKSLGRXYSK-MBDNFAEBSA-N 1 1 393.955 4.060 20 0 GIADMO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462316621 823922416 /nfs/dbraw/zinc/92/24/16/823922416.db2.gz PFYIWBZVBNEBHO-KRWDZBQOSA-N 1 1 381.398 4.002 20 0 GIADMO C[N@H+]1CC[C@]2(C[C@H]1c1ccccc1)Nc1ccccc1C(=O)N2Cc1cccnc1 ZINC000414173456 823922540 /nfs/dbraw/zinc/92/25/40/823922540.db2.gz GGXNCHNPSAEBBZ-ZCYQVOJMSA-N 1 1 398.510 4.313 20 0 GIADMO COc1ccc(CCC(=O)N2CCC[N@H+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000170646368 823924845 /nfs/dbraw/zinc/92/48/45/823924845.db2.gz VQRYXMJPXJBWSY-SFHVURJKSA-N 1 1 384.495 4.062 20 0 GIADMO CC(C)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2)c2nc3ccccc3s2)C1=O ZINC000414188972 823924945 /nfs/dbraw/zinc/92/49/45/823924945.db2.gz QUADPEFBVBRECS-RTBURBONSA-N 1 1 379.529 4.179 20 0 GIADMO C[C@@H]1C[C@@H](N[C@H](c2nccn2C)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000575152195 823925105 /nfs/dbraw/zinc/92/51/05/823925105.db2.gz NXVYUJFNYNPUOF-RFWXGWTQSA-N 1 1 392.522 4.291 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000170647180 823925351 /nfs/dbraw/zinc/92/53/51/823925351.db2.gz PYQLZHPTWADFKH-CYBMUJFWSA-N 1 1 379.551 4.218 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000170647180 823925362 /nfs/dbraw/zinc/92/53/62/823925362.db2.gz PYQLZHPTWADFKH-CYBMUJFWSA-N 1 1 379.551 4.218 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000170647462 823925793 /nfs/dbraw/zinc/92/57/93/823925793.db2.gz SBFPPCFSYKGCLZ-CQSZACIVSA-N 1 1 375.900 4.235 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000170647179 823925958 /nfs/dbraw/zinc/92/59/58/823925958.db2.gz PYQLZHPTWADFKH-ZDUSSCGKSA-N 1 1 379.551 4.218 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000170647179 823925963 /nfs/dbraw/zinc/92/59/63/823925963.db2.gz PYQLZHPTWADFKH-ZDUSSCGKSA-N 1 1 379.551 4.218 20 0 GIADMO CCOc1ccc(-c2noc(C[NH+]3CCC(Nc4ccc(F)cc4)CC3)n2)cc1 ZINC000170650901 823927448 /nfs/dbraw/zinc/92/74/48/823927448.db2.gz BRKFJLKHJAOAIW-UHFFFAOYSA-N 1 1 396.466 4.351 20 0 GIADMO O=C(CC1CCCC1)N1CCC[N@@H+](CCOc2cccc3ccccc32)CC1 ZINC000065040928 823929411 /nfs/dbraw/zinc/92/94/11/823929411.db2.gz UTAKUZZTEXSSEF-UHFFFAOYSA-N 1 1 380.532 4.333 20 0 GIADMO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cccc(Br)c1C ZINC000462339205 823930579 /nfs/dbraw/zinc/93/05/79/823930579.db2.gz YBSWZWRPFKIGAN-UHFFFAOYSA-N 1 1 391.309 4.108 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1c(F)cc(F)cc1Br ZINC000192281664 823931930 /nfs/dbraw/zinc/93/19/30/823931930.db2.gz SOAHFSQTKLPXGM-GFCCVEGCSA-N 1 1 390.272 4.065 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC000414227731 823934258 /nfs/dbraw/zinc/93/42/58/823934258.db2.gz XAGNURJNAQQJAM-ZBEGNZNMSA-N 1 1 387.332 4.443 20 0 GIADMO CCCOc1ccc(Br)cc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000462347090 823934385 /nfs/dbraw/zinc/93/43/85/823934385.db2.gz PNTQSAHDHJUTOC-KRWDZBQOSA-N 1 1 382.273 4.200 20 0 GIADMO CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000065072341 823935974 /nfs/dbraw/zinc/93/59/74/823935974.db2.gz FIINHOBIMKIKSR-OAHLLOKOSA-N 1 1 383.467 4.411 20 0 GIADMO CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc2cc(OC)ccc2c1 ZINC000414241048 823937393 /nfs/dbraw/zinc/93/73/93/823937393.db2.gz NZPFGPMKGLSTHY-NRFANRHFSA-N 1 1 383.513 4.493 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(C)c4ncccc34)CC2)cs1 ZINC000170683568 823937749 /nfs/dbraw/zinc/93/77/49/823937749.db2.gz FXBOPFVAFBVTQQ-UHFFFAOYSA-N 1 1 380.517 4.159 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000170684520 823937963 /nfs/dbraw/zinc/93/79/63/823937963.db2.gz NBDFFGKPTFSJQC-QFIPXVFZSA-N 1 1 386.923 4.048 20 0 GIADMO Cc1onc(C2CC2)c1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000575207798 823939160 /nfs/dbraw/zinc/93/91/60/823939160.db2.gz QVQQRBAVADAZCO-IYBDPMFKSA-N 1 1 381.520 4.268 20 0 GIADMO O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126750638 823941893 /nfs/dbraw/zinc/94/18/93/823941893.db2.gz UYEWESQOEYLNMU-DNVCBOLYSA-N 1 1 385.895 4.084 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000414254366 823942438 /nfs/dbraw/zinc/94/24/38/823942438.db2.gz ZXYUQPGOALXFRP-GOSISDBHSA-N 1 1 394.334 4.094 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000414254369 823942571 /nfs/dbraw/zinc/94/25/71/823942571.db2.gz ZXYUQPGOALXFRP-SFHVURJKSA-N 1 1 394.334 4.094 20 0 GIADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000065116173 823946132 /nfs/dbraw/zinc/94/61/32/823946132.db2.gz FOMFGNUREFEPAK-KBPBESRZSA-N 1 1 377.941 4.314 20 0 GIADMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccco1)c1ccccn1 ZINC000170703680 823947290 /nfs/dbraw/zinc/94/72/90/823947290.db2.gz OITHGSXMAXFGOM-HXUWFJFHSA-N 1 1 375.472 4.120 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000065140818 823950530 /nfs/dbraw/zinc/95/05/30/823950530.db2.gz LUVLLQCADNDNAP-KXBFYZLASA-N 1 1 376.422 4.200 20 0 GIADMO Cc1c2cc(Br)ccc2sc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000575328018 823956881 /nfs/dbraw/zinc/95/68/81/823956881.db2.gz IPHDRJZUNGVNTP-UONOGXRCSA-N 1 1 393.350 4.281 20 0 GIADMO O=C1CC[C@H](c2cccc(N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)c2)N1 ZINC000414317243 823957235 /nfs/dbraw/zinc/95/72/35/823957235.db2.gz OZABJVKTDNLDJY-YCAMKHIRSA-N 1 1 389.543 4.493 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1)CC1CC1 ZINC000575364164 823962031 /nfs/dbraw/zinc/96/20/31/823962031.db2.gz UPGGYEVMWNSKPF-YADHBBJMSA-N 1 1 387.543 4.225 20 0 GIADMO CCc1ncc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355560 823963620 /nfs/dbraw/zinc/96/36/20/823963620.db2.gz AHVVQBZATAWQON-XLIONFOSSA-N 1 1 392.469 4.231 20 0 GIADMO CCc1ncc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355560 823963626 /nfs/dbraw/zinc/96/36/26/823963626.db2.gz AHVVQBZATAWQON-XLIONFOSSA-N 1 1 392.469 4.231 20 0 GIADMO COC[C@H]([NH2+]Cc1cn(-c2cccc(F)c2)nc1C)c1ccc(F)c(F)c1 ZINC000414362334 823965198 /nfs/dbraw/zinc/96/51/98/823965198.db2.gz DZPLLNZWQVKTTE-FQEVSTJZSA-N 1 1 375.394 4.075 20 0 GIADMO CC(C)C[C@H](C)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000462416211 823966498 /nfs/dbraw/zinc/96/64/98/823966498.db2.gz JJVLAVBFQKTUJB-HOTGVXAUSA-N 1 1 377.504 4.259 20 0 GIADMO CC(C)C[C@H](C)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000462416211 823966503 /nfs/dbraw/zinc/96/65/03/823966503.db2.gz JJVLAVBFQKTUJB-HOTGVXAUSA-N 1 1 377.504 4.259 20 0 GIADMO CC(C)C[C@@H](C)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000462416210 823966521 /nfs/dbraw/zinc/96/65/21/823966521.db2.gz JJVLAVBFQKTUJB-CVEARBPZSA-N 1 1 377.504 4.259 20 0 GIADMO CC(C)C[C@@H](C)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000462416210 823966526 /nfs/dbraw/zinc/96/65/26/823966526.db2.gz JJVLAVBFQKTUJB-CVEARBPZSA-N 1 1 377.504 4.259 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3ncsc3c2)CC1 ZINC000170774907 823967540 /nfs/dbraw/zinc/96/75/40/823967540.db2.gz PBDJMLRITQABNZ-UHFFFAOYSA-N 1 1 379.529 4.281 20 0 GIADMO CCCCCOc1cc(C)ccc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414374312 823968091 /nfs/dbraw/zinc/96/80/91/823968091.db2.gz CJNQIBAVTVRRII-UHFFFAOYSA-N 1 1 381.563 4.319 20 0 GIADMO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nn1-c1ccccc1 ZINC000126860320 823968587 /nfs/dbraw/zinc/96/85/87/823968587.db2.gz MMBQILHNFNKXCB-XMSQKQJNSA-N 1 1 392.547 4.085 20 0 GIADMO CC(C)c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nn1-c1ccccc1 ZINC000126860902 823968714 /nfs/dbraw/zinc/96/87/14/823968714.db2.gz MMBQILHNFNKXCB-AVRDEDQJSA-N 1 1 392.547 4.085 20 0 GIADMO COc1ccc(CC[N@@H+](Cc2ccsc2)Cc2ccc(C)nn2)cc1OC ZINC000414391853 823971281 /nfs/dbraw/zinc/97/12/81/823971281.db2.gz ALYSLWJUPZWQMB-UHFFFAOYSA-N 1 1 383.517 4.109 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1OC ZINC000414396156 823971610 /nfs/dbraw/zinc/97/16/10/823971610.db2.gz RSSAFPNEOUCKSN-CQSZACIVSA-N 1 1 387.430 4.327 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccnn3C(C)C)c2C1 ZINC000170790059 823972006 /nfs/dbraw/zinc/97/20/06/823972006.db2.gz SNMONXWWAYQOCB-DLBZAZTESA-N 1 1 383.540 4.263 20 0 GIADMO O=C(NC1CC1)[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126891932 823975405 /nfs/dbraw/zinc/97/54/05/823975405.db2.gz CRAMTEHHUSIDJX-KKSFZXQISA-N 1 1 393.462 4.166 20 0 GIADMO C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1cccc(Br)c1 ZINC000462440955 823976138 /nfs/dbraw/zinc/97/61/38/823976138.db2.gz NNQLCWVNFCHHLA-HNNXBMFYSA-N 1 1 393.325 4.126 20 0 GIADMO COc1cc(OC)c(OC)cc1C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000575598821 823978307 /nfs/dbraw/zinc/97/83/07/823978307.db2.gz HXCMUOXOJKZVCR-UHFFFAOYSA-N 1 1 392.499 4.352 20 0 GIADMO COc1cc(OC)c(OC)cc1C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000575598821 823978314 /nfs/dbraw/zinc/97/83/14/823978314.db2.gz HXCMUOXOJKZVCR-UHFFFAOYSA-N 1 1 392.499 4.352 20 0 GIADMO Cc1cc(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)cc(N2CCCC2)[nH+]1 ZINC000575634058 823980792 /nfs/dbraw/zinc/98/07/92/823980792.db2.gz WPKIOGKHRGFYMB-HXUWFJFHSA-N 1 1 382.483 4.006 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000414432014 823984518 /nfs/dbraw/zinc/98/45/18/823984518.db2.gz MBSURGNNYUBXNO-UHFFFAOYSA-N 1 1 375.451 4.294 20 0 GIADMO CCC(CC)n1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000126937826 823985275 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ZINC001164691747 719814363 /nfs/dbraw/zinc/81/43/63/719814363.db2.gz KLWQFRLITONCRW-UHFFFAOYSA-N 1 1 383.565 4.062 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164808607 720081314 /nfs/dbraw/zinc/08/13/14/720081314.db2.gz IIFFKEJIWFEENH-GCJKJVERSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3c(Cl)cccc31)C2 ZINC001164812494 720110651 /nfs/dbraw/zinc/11/06/51/720110651.db2.gz OTKBGQJMTQXJKZ-JTSKRJEESA-N 1 1 385.939 4.073 20 0 GIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723626 720338120 /nfs/dbraw/zinc/33/81/20/720338120.db2.gz IFSCLUDQBQAJOM-CABCVRRESA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723626 720338122 /nfs/dbraw/zinc/33/81/22/720338122.db2.gz IFSCLUDQBQAJOM-CABCVRRESA-N 1 1 399.272 4.182 20 0 GIADMO Fc1ccc2cc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164724185 720358472 /nfs/dbraw/zinc/35/84/72/720358472.db2.gz JSVRGIALJZRIQN-OALUTQOASA-N 1 1 382.870 4.276 20 0 GIADMO Cc1ccc2cc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164731604 720410176 /nfs/dbraw/zinc/41/01/76/720410176.db2.gz MCPGITKMMGONDH-VQTJNVASSA-N 1 1 378.907 4.445 20 0 GIADMO Fc1ccc(Cl)c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164724784 720474493 /nfs/dbraw/zinc/47/44/93/720474493.db2.gz HHTYKOTZEKIRRH-RBUKOAKNSA-N 1 1 382.870 4.276 20 0 GIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731650 720489570 /nfs/dbraw/zinc/48/95/70/720489570.db2.gz XEZHYXQYUNQWKS-RTBURBONSA-N 1 1 394.906 4.145 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccccc31)CC2 ZINC001164844263 720665586 /nfs/dbraw/zinc/66/55/86/720665586.db2.gz ZQXLCILUAYIJOX-QFIPXVFZSA-N 1 1 387.527 4.495 20 0 GIADMO CC(C)c1ccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164840464 720694561 /nfs/dbraw/zinc/69/45/61/720694561.db2.gz FAWUYOKTHHJVAJ-JOCHJYFZSA-N 1 1 379.548 4.465 20 0 GIADMO CSc1cccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836455 720709676 /nfs/dbraw/zinc/70/96/76/720709676.db2.gz AWJPSHGXCJXRED-IBGZPJMESA-N 1 1 383.561 4.063 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(C3CC3)n1)CC2 ZINC001164839570 720726911 /nfs/dbraw/zinc/72/69/11/720726911.db2.gz MAKRYSGRRVANMH-OAQYLSRUSA-N 1 1 377.532 4.219 20 0 GIADMO Cc1cccc2c(Cl)nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164857908 720957285 /nfs/dbraw/zinc/95/72/85/720957285.db2.gz IFJVTTZZOOXRKC-HNNXBMFYSA-N 1 1 398.942 4.210 20 0 GIADMO CC[C@H](C)c1nc2[nH]ccc2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861034 721023509 /nfs/dbraw/zinc/02/35/09/721023509.db2.gz NBJYLEPYSVSQHL-JKSUJKDBSA-N 1 1 395.555 4.089 20 0 GIADMO C[N@@H+](Cc1ccc(N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)nc1)C1CC1 ZINC001164772030 721060880 /nfs/dbraw/zinc/06/08/80/721060880.db2.gz OFLVRPCBHKNRHC-URXFXBBRSA-N 1 1 377.532 4.219 20 0 GIADMO c1cc(-c2nc3ccccc3c(N3CC4(C3)CC[N@H+](CC3CC3)C4)n2)cs1 ZINC001164769756 721298558 /nfs/dbraw/zinc/29/85/58/721298558.db2.gz MITCGNMOSUTNMY-UHFFFAOYSA-N 1 1 376.529 4.280 20 0 GIADMO Cc1nc(-c2ccccc2Cl)nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1C ZINC001164775546 721301097 /nfs/dbraw/zinc/30/10/97/721301097.db2.gz ZMXUOHBUJJLTDA-UHFFFAOYSA-N 1 1 382.939 4.336 20 0 GIADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164775203 721302713 /nfs/dbraw/zinc/30/27/13/721302713.db2.gz SEZZNRGORWPSRQ-UHFFFAOYSA-N 1 1 377.866 4.397 20 0 GIADMO Clc1cc(-c2ccccc2)cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164785721 721409521 /nfs/dbraw/zinc/40/95/21/721409521.db2.gz NUKDJRYCHDXKTB-ROUUACIJSA-N 1 1 396.947 4.427 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001164792260 721495555 /nfs/dbraw/zinc/49/55/55/721495555.db2.gz LXFXTZKMACUHOU-FQEVSTJZSA-N 1 1 388.918 4.475 20 0 GIADMO Cc1ccc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1 ZINC001164903461 721531741 /nfs/dbraw/zinc/53/17/41/721531741.db2.gz CTWNXVDHVVCQGA-FPOVZHCZSA-N 1 1 377.463 4.024 20 0 GIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CCCN3C(=O)C(C)C)C2)nc1 ZINC001165007401 721727341 /nfs/dbraw/zinc/72/73/41/721727341.db2.gz CKGUMWJLOZOVFC-XUZZJYLKSA-N 1 1 398.595 4.246 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc(C4CC4)n3)C[C@H]21 ZINC001165018730 721803485 /nfs/dbraw/zinc/80/34/85/721803485.db2.gz CGEQEEKAAQTZSF-QXAKKESOSA-N 1 1 397.954 4.139 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@H](F)c3ccnc(Cl)c3)C[C@H]21 ZINC001165021664 721811583 /nfs/dbraw/zinc/81/15/83/721811583.db2.gz FVIYRXCKYYCAPT-VELGLUOQSA-N 1 1 388.918 4.331 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(C4CC4)n3)C[C@H]21 ZINC001165027465 721813683 /nfs/dbraw/zinc/81/36/83/721813683.db2.gz UURNLJUDQOUZNH-YVWKXTFCSA-N 1 1 397.954 4.139 20 0 GIADMO Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165024163 721814003 /nfs/dbraw/zinc/81/40/03/721814003.db2.gz JKIXMDBOTYVIIS-HARLFGEKSA-N 1 1 387.531 4.070 20 0 GIADMO Cc1csc2cnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165020753 721821346 /nfs/dbraw/zinc/82/13/46/721821346.db2.gz DPFFFOUQJVRTTC-UHOSZYNNSA-N 1 1 393.560 4.132 20 0 GIADMO Cc1cc2c(ccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)o1 ZINC001165024036 721826273 /nfs/dbraw/zinc/82/62/73/721826273.db2.gz JJWSVXGUXSSPKJ-IOMROCGXSA-N 1 1 376.504 4.268 20 0 GIADMO Cc1cc2cccnc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023061 721827968 /nfs/dbraw/zinc/82/79/68/721827968.db2.gz HJVBTSUXAXDYNZ-BVSLBCMMSA-N 1 1 387.531 4.070 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)c5cc[nH]c5n4)CC3)C2)cc1 ZINC001164940583 721929226 /nfs/dbraw/zinc/92/92/26/721929226.db2.gz UOAWQNJNSAIPJH-UHFFFAOYSA-N 1 1 390.531 4.051 20 0 GIADMO CSCc1ccc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940674 721932130 /nfs/dbraw/zinc/93/21/30/721932130.db2.gz WJOUFZGNNOPGGD-UHFFFAOYSA-N 1 1 397.588 4.124 20 0 GIADMO CSCc1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939477 721932662 /nfs/dbraw/zinc/93/26/62/721932662.db2.gz LRQWQHGXGTWXTA-UHFFFAOYSA-N 1 1 397.588 4.124 20 0 GIADMO COc1ccc2c(ccnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164952203 722014626 /nfs/dbraw/zinc/01/46/26/722014626.db2.gz JJZIPUFUHMBOPT-UHFFFAOYSA-N 1 1 388.515 4.131 20 0 GIADMO Cc1csc2nc(C)nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164961326 722023004 /nfs/dbraw/zinc/02/30/04/722023004.db2.gz NAEMLHRIXTWOGE-UHFFFAOYSA-N 1 1 393.560 4.196 20 0 GIADMO Cc1nc2cc(F)ccc2c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994596 722196181 /nfs/dbraw/zinc/19/61/81/722196181.db2.gz OGXMAWSZFRNYGN-QHCPKHFHSA-N 1 1 394.469 4.461 20 0 GIADMO COc1cc(Cl)ncc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995471 722197051 /nfs/dbraw/zinc/19/70/51/722197051.db2.gz VALOBHWSFQZIAT-HXUWFJFHSA-N 1 1 375.875 4.128 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cnc4ccc(F)cc4n2)C3)c1 ZINC001164992688 722197908 /nfs/dbraw/zinc/19/79/08/722197908.db2.gz APGOWQAKAUIGSB-QFIPXVFZSA-N 1 1 380.442 4.153 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cnnc(Cl)c2)C3)c1 ZINC001164996360 722200288 /nfs/dbraw/zinc/20/02/88/722200288.db2.gz UJKZCOXUOOYLJU-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cnnc(Cl)c2)C3)c1 ZINC001164996360 722200289 /nfs/dbraw/zinc/20/02/89/722200289.db2.gz UJKZCOXUOOYLJU-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO COC(OC)c1cc(C)cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994415 722206245 /nfs/dbraw/zinc/20/62/45/722206245.db2.gz GJHFJAQXGCPELS-HSZRJFAPSA-N 1 1 399.510 4.065 20 0 GIADMO COc1ccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c2ccccc12 ZINC000570492852 823045815 /nfs/dbraw/zinc/04/58/15/823045815.db2.gz CZIBPVODSLYPCP-UHFFFAOYSA-N 1 1 375.472 4.082 20 0 GIADMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000570511921 823048269 /nfs/dbraw/zinc/04/82/69/823048269.db2.gz KRMHGYQRLSZLLK-UTKZUKDTSA-N 1 1 382.504 4.111 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175827658 823049452 /nfs/dbraw/zinc/04/94/52/823049452.db2.gz RWTFAJFMWBFEFH-MOPGFXCFSA-N 1 1 386.561 4.400 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175827658 823049459 /nfs/dbraw/zinc/04/94/59/823049459.db2.gz RWTFAJFMWBFEFH-MOPGFXCFSA-N 1 1 386.561 4.400 20 0 GIADMO CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[C@@H]1CCC[N@@H+](C)C1 ZINC000187362628 823049867 /nfs/dbraw/zinc/04/98/67/823049867.db2.gz IOMCHWPGYBMRMA-CYBMUJFWSA-N 1 1 382.382 4.011 20 0 GIADMO Fc1cc(Br)cc([C@H]2CCC[N@@H+]2Cc2c[nH]c3nccnc23)c1 ZINC000570526203 823049961 /nfs/dbraw/zinc/04/99/61/823049961.db2.gz POPFUFDXURVYPC-OAHLLOKOSA-N 1 1 375.245 4.148 20 0 GIADMO Fc1cc(Br)cc([C@H]2CCC[N@H+]2Cc2c[nH]c3nccnc23)c1 ZINC000570526203 823049964 /nfs/dbraw/zinc/04/99/64/823049964.db2.gz POPFUFDXURVYPC-OAHLLOKOSA-N 1 1 375.245 4.148 20 0 GIADMO Cc1c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)sc2c1CCCC2 ZINC000175831600 823050124 /nfs/dbraw/zinc/05/01/24/823050124.db2.gz PQOKUHCIJMZTMA-HXUWFJFHSA-N 1 1 384.545 4.072 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1cccc2ccccc21 ZINC000175837909 823051994 /nfs/dbraw/zinc/05/19/94/823051994.db2.gz VBEAUTNHSJPNHV-XLIONFOSSA-N 1 1 380.513 4.428 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000055855486 823054399 /nfs/dbraw/zinc/05/43/99/823054399.db2.gz BHUOCGCGGGCUQI-HSZRJFAPSA-N 1 1 376.431 4.346 20 0 GIADMO COc1ccccc1CN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000175840128 823052372 /nfs/dbraw/zinc/05/23/72/823052372.db2.gz MNAVBOQRMVVNKP-INIZCTEOSA-N 1 1 378.476 4.092 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000055855473 823054349 /nfs/dbraw/zinc/05/43/49/823054349.db2.gz JKYSZZILWDMBAP-QHCPKHFHSA-N 1 1 378.447 4.460 20 0 GIADMO Clc1cccc(-c2nnc(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)o2)c1 ZINC000570555305 823053886 /nfs/dbraw/zinc/05/38/86/823053886.db2.gz VUNCONOJLUSJNO-GOSISDBHSA-N 1 1 380.879 4.027 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(Cl)nc1Cl)C1CC1 ZINC000187389434 823054554 /nfs/dbraw/zinc/05/45/54/823054554.db2.gz LHMRHFYMDHFZEK-INIZCTEOSA-N 1 1 378.303 4.029 20 0 GIADMO CN(Cc1cccs1)C(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175863203 823058402 /nfs/dbraw/zinc/05/84/02/823058402.db2.gz GEOJKTBXIKBXEP-WMZOPIPTSA-N 1 1 392.590 4.136 20 0 GIADMO Cc1ccc2c([nH+]cc(C(=O)[O-])c2N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000570573018 823056224 /nfs/dbraw/zinc/05/62/24/823056224.db2.gz JPAUSCJSZRAFLB-KRWDZBQOSA-N 1 1 389.499 4.261 20 0 GIADMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000570589505 823058624 /nfs/dbraw/zinc/05/86/24/823058624.db2.gz JXTBZZQGDIETCT-QHCPKHFHSA-N 1 1 375.516 4.254 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCSc1ccc(Br)cc1 ZINC000120750595 823056887 /nfs/dbraw/zinc/05/68/87/823056887.db2.gz VDTWSAVTPDSQRW-YOEHRIQHSA-N 1 1 399.398 4.120 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2nc(-c3cccs3)no2)C[C@H](C)O1 ZINC000055869906 823057219 /nfs/dbraw/zinc/05/72/19/823057219.db2.gz 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COc1ccccc1CSc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000120778452 823062231 /nfs/dbraw/zinc/06/22/31/823062231.db2.gz GIDFVTINSLDHDD-QGZVFWFLSA-N 1 1 399.560 4.451 20 0 GIADMO COC(=O)c1sccc1C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000120792082 823064931 /nfs/dbraw/zinc/06/49/31/823064931.db2.gz RQCJRTNTCSEMQM-QGZVFWFLSA-N 1 1 379.909 4.134 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458621829 823065067 /nfs/dbraw/zinc/06/50/67/823065067.db2.gz AYBUMKIGMLGMNI-RDJZCZTQSA-N 1 1 379.495 4.251 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187446139 823065283 /nfs/dbraw/zinc/06/52/83/823065283.db2.gz WEAIRFCXYYUILI-INIZCTEOSA-N 1 1 397.485 4.110 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1Cl ZINC000055910284 823066005 /nfs/dbraw/zinc/06/60/05/823066005.db2.gz AYJCSZMOOAHYEK-SFHVURJKSA-N 1 1 388.895 4.441 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)c2)cc1Cl ZINC000055910284 823066009 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CCCOc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cs2)cc1 ZINC000121175230 823132359 /nfs/dbraw/zinc/13/23/59/823132359.db2.gz VGCGAMFHIUVDBG-HNAYVOBHSA-N 1 1 387.549 4.011 20 0 GIADMO C[N@@H+](CCCCNC(=O)N(Cc1cccc(-c2cccnc2)c1)C1CC1)C1CC1 ZINC000459131947 823132447 /nfs/dbraw/zinc/13/24/47/823132447.db2.gz BJMYEHBYXNMXEL-UHFFFAOYSA-N 1 1 392.547 4.297 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Cc2coc(-c3cccs3)n2)CC[N@H+]1Cc1ccccc1 ZINC000176135169 823132495 /nfs/dbraw/zinc/13/24/95/823132495.db2.gz WLVIPOCRVGLAMF-SJLPKXTDSA-N 1 1 395.528 4.115 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000187804900 823137260 /nfs/dbraw/zinc/13/72/60/823137260.db2.gz KOCQJFTZVPSZRV-INIZCTEOSA-N 1 1 394.412 4.439 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cc4cccnc4o3)C2)cc1 ZINC000571135142 823139049 /nfs/dbraw/zinc/13/90/49/823139049.db2.gz OAOULEGODJYOPK-KRWDZBQOSA-N 1 1 378.476 4.170 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)c2c(F)cccc2Cl)C1 ZINC000176157692 823139040 /nfs/dbraw/zinc/13/90/40/823139040.db2.gz LWAKVCFQZBZMCT-ZIAGYGMSSA-N 1 1 378.879 4.346 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000121229516 823143189 /nfs/dbraw/zinc/14/31/89/823143189.db2.gz KPYOPFMIFRPQJQ-PGRDOPGGSA-N 1 1 383.511 4.063 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCc2ccc(Br)s2)c2ncc[nH]2)cc1 ZINC000187837705 823143595 /nfs/dbraw/zinc/14/35/95/823143595.db2.gz IICWCNYYWFVUCQ-HNNXBMFYSA-N 1 1 380.286 4.295 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000056407321 823145019 /nfs/dbraw/zinc/14/50/19/823145019.db2.gz VMPFDRVXPYSVMU-OALUTQOASA-N 1 1 398.469 4.098 20 0 GIADMO C[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cc2ccccc2o1 ZINC000176174991 823145249 /nfs/dbraw/zinc/14/52/49/823145249.db2.gz GFGRIMFGOCVWJB-ROUUACIJSA-N 1 1 392.499 4.073 20 0 GIADMO C[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cc2ccccc2o1 ZINC000176174991 823145252 /nfs/dbraw/zinc/14/52/52/823145252.db2.gz 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ZINC000176188637 823148451 /nfs/dbraw/zinc/14/84/51/823148451.db2.gz JKXUUJUNGBDFTM-HNNXBMFYSA-N 1 1 376.460 4.020 20 0 GIADMO FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)cn2)cc1 ZINC000571218432 823150414 /nfs/dbraw/zinc/15/04/14/823150414.db2.gz MVRQPYWJQRPMEO-RTBURBONSA-N 1 1 391.437 4.425 20 0 GIADMO FC(F)(F)c1ccc(-n2cc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)cn2)cc1 ZINC000571218432 823150416 /nfs/dbraw/zinc/15/04/16/823150416.db2.gz MVRQPYWJQRPMEO-RTBURBONSA-N 1 1 391.437 4.425 20 0 GIADMO FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cn2)cc1 ZINC000571218425 823150427 /nfs/dbraw/zinc/15/04/27/823150427.db2.gz MVRQPYWJQRPMEO-MOPGFXCFSA-N 1 1 391.437 4.425 20 0 GIADMO FC(F)(F)c1ccc(-n2cc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cn2)cc1 ZINC000571218425 823150428 /nfs/dbraw/zinc/15/04/28/823150428.db2.gz MVRQPYWJQRPMEO-MOPGFXCFSA-N 1 1 391.437 4.425 20 0 GIADMO C[N@@H+](CCCO[C@@H]1CCCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000571228203 823151837 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CCO[C@@H](C)c1nc(CN2CC[NH+](CCc3cccc(Cl)c3)CC2)cs1 ZINC000459336819 823163935 /nfs/dbraw/zinc/16/39/35/823163935.db2.gz AYIAWFDIDGFKIH-INIZCTEOSA-N 1 1 393.984 4.254 20 0 GIADMO CO[C@H](C)c1nc(CN2CCC[N@@H+](CC3CCC(F)(F)CC3)CC2)cs1 ZINC000459341592 823165435 /nfs/dbraw/zinc/16/54/35/823165435.db2.gz KBHXSEQGKOXSFV-OAHLLOKOSA-N 1 1 387.540 4.184 20 0 GIADMO C[C@H](c1cccc(NCc2cccc(O)c2Br)c1)[NH+]1CCOCC1 ZINC000459349162 823167756 /nfs/dbraw/zinc/16/77/56/823167756.db2.gz IAKFYOOHLWEFAM-CQSZACIVSA-N 1 1 391.309 4.160 20 0 GIADMO Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000571348534 823168886 /nfs/dbraw/zinc/16/88/86/823168886.db2.gz ZKHITCUWYKLOOL-NSHGMRRFSA-N 1 1 399.579 4.316 20 0 GIADMO Oc1cccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1Br ZINC000459361428 823171850 /nfs/dbraw/zinc/17/18/50/823171850.db2.gz GKTVILXXDQWVBG-MRXNPFEDSA-N 1 1 376.294 4.193 20 0 GIADMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000121373396 823172699 /nfs/dbraw/zinc/17/26/99/823172699.db2.gz MELZQQPRXLXWOH-UHFFFAOYSA-N 1 1 393.512 4.366 20 0 GIADMO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCCN(C(=O)C4CC4)CC3)s2)cc1 ZINC000121375834 823173198 /nfs/dbraw/zinc/17/31/98/823173198.db2.gz ACCJNNLDUIITMK-UHFFFAOYSA-N 1 1 383.561 4.378 20 0 GIADMO CC(C)c1ccc(-c2ncc(C[N@H+]3CCCN(C(=O)C4CC4)CC3)s2)cc1 ZINC000121375834 823173201 /nfs/dbraw/zinc/17/32/01/823173201.db2.gz ACCJNNLDUIITMK-UHFFFAOYSA-N 1 1 383.561 4.378 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000121377965 823173453 /nfs/dbraw/zinc/17/34/53/823173453.db2.gz CAQLPHRWPXJDMY-UHFFFAOYSA-N 1 1 384.524 4.135 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccncc2F)CC1 ZINC000459366305 823173828 /nfs/dbraw/zinc/17/38/28/823173828.db2.gz BWSWNXZHVRWBPM-UHFFFAOYSA-N 1 1 381.417 4.336 20 0 GIADMO C(=C\c1ccc(OCc2ccccc2)cc1)\C[N@H+]1CCOC2(CCOCC2)C1 ZINC000459366885 823174071 /nfs/dbraw/zinc/17/40/71/823174071.db2.gz YCFMDWYMDWDGAC-DAXSKMNVSA-N 1 1 379.500 4.160 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000459370848 823174797 /nfs/dbraw/zinc/17/47/97/823174797.db2.gz XPJXPDSQWPENPU-JCTONOIOSA-N 1 1 381.516 4.439 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)CCc2ccc(O)cc2)cc1 ZINC000121387380 823175609 /nfs/dbraw/zinc/17/56/09/823175609.db2.gz PJNUQSPEHRYFFA-IAGOWNOFSA-N 1 1 392.503 4.268 20 0 GIADMO CCN(C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)c1cc2ccccc2o1 ZINC000056596785 823177515 /nfs/dbraw/zinc/17/75/15/823177515.db2.gz PNLJPLOEYLIJBR-KSZLIROESA-N 1 1 387.524 4.025 20 0 GIADMO C[C@@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000459377604 823176819 /nfs/dbraw/zinc/17/68/19/823176819.db2.gz PFBXUKMJYNIZHI-MOPGFXCFSA-N 1 1 381.568 4.270 20 0 GIADMO C[C@@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@H+]1CCC[C@@H](C)C1 ZINC000459377604 823176821 /nfs/dbraw/zinc/17/68/21/823176821.db2.gz PFBXUKMJYNIZHI-MOPGFXCFSA-N 1 1 381.568 4.270 20 0 GIADMO CC(C)([NH2+]CCC(=O)Nc1ccccc1Cl)c1cc(C(F)(F)F)on1 ZINC000411756830 823602736 /nfs/dbraw/zinc/60/27/36/823602736.db2.gz JOXZHOWSCQVGIS-UHFFFAOYSA-N 1 1 375.778 4.200 20 0 GIADMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC000176310319 823179068 /nfs/dbraw/zinc/17/90/68/823179068.db2.gz KFHHSLMCCDINRM-KRWDZBQOSA-N 1 1 387.549 4.032 20 0 GIADMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC000176310319 823179072 /nfs/dbraw/zinc/17/90/72/823179072.db2.gz KFHHSLMCCDINRM-KRWDZBQOSA-N 1 1 387.549 4.032 20 0 GIADMO C[C@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@@H+]1CCCC[C@@H]1C ZINC000459384223 823179286 /nfs/dbraw/zinc/17/92/86/823179286.db2.gz YVJBENAPPVHVSA-RBUKOAKNSA-N 1 1 381.568 4.413 20 0 GIADMO C[C@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@H+]1CCCC[C@@H]1C ZINC000459384223 823179288 /nfs/dbraw/zinc/17/92/88/823179288.db2.gz YVJBENAPPVHVSA-RBUKOAKNSA-N 1 1 381.568 4.413 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)C[C@@H](C)O1 ZINC000121408676 823179396 /nfs/dbraw/zinc/17/93/96/823179396.db2.gz GWLJUGRVBAIZTK-CHWSQXEVSA-N 1 1 394.302 4.250 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000571442562 823183325 /nfs/dbraw/zinc/18/33/25/823183325.db2.gz UVDZHEUJDRWTKR-QFIPXVFZSA-N 1 1 384.882 4.454 20 0 GIADMO Cc1nc(C[NH2+]CCC(=O)Nc2ccc(C)cn2)oc1-c1ccc(Cl)cc1 ZINC000571432359 823181965 /nfs/dbraw/zinc/18/19/65/823181965.db2.gz BWYBNLFCMIZFRW-UHFFFAOYSA-N 1 1 384.867 4.125 20 0 GIADMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)C1 ZINC000176325947 823182435 /nfs/dbraw/zinc/18/24/35/823182435.db2.gz WGCWRNNTMMBXMX-INIZCTEOSA-N 1 1 387.549 4.230 20 0 GIADMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)C1 ZINC000176325947 823182436 /nfs/dbraw/zinc/18/24/36/823182436.db2.gz WGCWRNNTMMBXMX-INIZCTEOSA-N 1 1 387.549 4.230 20 0 GIADMO Cc1csc([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)n1 ZINC000176331405 823184019 /nfs/dbraw/zinc/18/40/19/823184019.db2.gz OWWMROQUEYGTJL-INIZCTEOSA-N 1 1 398.532 4.237 20 0 GIADMO Cc1csc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC000176331405 823184022 /nfs/dbraw/zinc/18/40/22/823184022.db2.gz OWWMROQUEYGTJL-INIZCTEOSA-N 1 1 398.532 4.237 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@@H+]1CC1CCC(F)(F)CC1 ZINC000459400908 823184207 /nfs/dbraw/zinc/18/42/07/823184207.db2.gz CRCVDXKEONDURK-OAHLLOKOSA-N 1 1 395.416 4.261 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1CC1CCC(F)(F)CC1 ZINC000459400908 823184210 /nfs/dbraw/zinc/18/42/10/823184210.db2.gz CRCVDXKEONDURK-OAHLLOKOSA-N 1 1 395.416 4.261 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(COCc3ccccc3)cc2)C1 ZINC000459405170 823185628 /nfs/dbraw/zinc/18/56/28/823185628.db2.gz DSIDPXSJTKDFRV-IBGZPJMESA-N 1 1 381.520 4.257 20 0 GIADMO CCCOc1ccc(Cl)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000056632644 823186278 /nfs/dbraw/zinc/18/62/78/823186278.db2.gz QWHHZQVBEHSHCS-UHFFFAOYSA-N 1 1 399.882 4.340 20 0 GIADMO CCOC[C@H]1CC[N@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000176345229 823188183 /nfs/dbraw/zinc/18/81/83/823188183.db2.gz MDYZIHOSOXOYMF-AVRDEDQJSA-N 1 1 382.504 4.042 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3sccc3OC(F)F)c2)C[C@H](C)O1 ZINC000121465999 823189748 /nfs/dbraw/zinc/18/97/48/823189748.db2.gz SQTZBMFELJACCI-STQMWFEESA-N 1 1 396.459 4.211 20 0 GIADMO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000571486144 823190211 /nfs/dbraw/zinc/19/02/11/823190211.db2.gz QZIWIDHXXVBUKR-LEWJYISDSA-N 1 1 393.531 4.380 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000056662023 823192296 /nfs/dbraw/zinc/19/22/96/823192296.db2.gz FRQZAWOEUJVAQG-RTBURBONSA-N 1 1 397.567 4.297 20 0 GIADMO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571504803 823193763 /nfs/dbraw/zinc/19/37/63/823193763.db2.gz VMNCYOODMIRYDF-XXBNENTESA-N 1 1 392.543 4.410 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1)CC(F)(F)F ZINC000176392962 823197540 /nfs/dbraw/zinc/19/75/40/823197540.db2.gz AXHRMRDTROYLTD-HNNXBMFYSA-N 1 1 397.441 4.056 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1)CC(F)(F)F ZINC000176405631 823201475 /nfs/dbraw/zinc/20/14/75/823201475.db2.gz CZXJOMLGBMJGEQ-AWEZNQCLSA-N 1 1 385.405 4.187 20 0 GIADMO COCc1noc([C@@H](C)[NH+]2CCC(c3ccc(Br)c(C)c3)CC2)n1 ZINC000188194232 823201252 /nfs/dbraw/zinc/20/12/52/823201252.db2.gz FNGFFHSCZZPZMW-CYBMUJFWSA-N 1 1 394.313 4.228 20 0 GIADMO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(F)cc2Br)CCO1 ZINC000459475845 823200375 /nfs/dbraw/zinc/20/03/75/823200375.db2.gz QOZUCPJXXFAXBG-AWEZNQCLSA-N 1 1 393.300 4.103 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CCO1 ZINC000459482243 823201759 /nfs/dbraw/zinc/20/17/59/823201759.db2.gz LNULBVHDTJUIGZ-OUOWLKGYSA-N 1 1 398.522 4.403 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCCOc2cccc3cccnc32)c2ncc[nH]2)cc1 ZINC000188194598 823201741 /nfs/dbraw/zinc/20/17/41/823201741.db2.gz XETCHYXMYJPIOS-NRFANRHFSA-N 1 1 376.435 4.245 20 0 GIADMO CCN(C[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1)CC(F)(F)F ZINC000176409212 823202328 /nfs/dbraw/zinc/20/23/28/823202328.db2.gz UKVJYOOWTLPSBX-ZDUSSCGKSA-N 1 1 390.400 4.138 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1)CC(F)(F)F ZINC000176409212 823202334 /nfs/dbraw/zinc/20/23/34/823202334.db2.gz UKVJYOOWTLPSBX-ZDUSSCGKSA-N 1 1 390.400 4.138 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)NCC[N@H+](C)Cc3ccccc3)c2)oc1C ZINC000056739604 823204126 /nfs/dbraw/zinc/20/41/26/823204126.db2.gz HYSLGENBYCILTI-UHFFFAOYSA-N 1 1 378.476 4.212 20 0 GIADMO C[C@@H](Oc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cn1)c1ccccc1 ZINC000571590432 823204675 /nfs/dbraw/zinc/20/46/75/823204675.db2.gz WZDSXFPHMSNZSB-RBUKOAKNSA-N 1 1 393.531 4.168 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)C2(c3cccnc3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000571598405 823205391 /nfs/dbraw/zinc/20/53/91/823205391.db2.gz VEKDMZWCJAZWBB-UGKGYDQZSA-N 1 1 377.532 4.063 20 0 GIADMO CCOc1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc(Br)c1O ZINC000459505980 823206327 /nfs/dbraw/zinc/20/63/27/823206327.db2.gz JXQWWBWEEKLXMF-SNVBAGLBSA-N 1 1 382.220 4.328 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cc(Br)c1O ZINC000459505980 823206329 /nfs/dbraw/zinc/20/63/29/823206329.db2.gz JXQWWBWEEKLXMF-SNVBAGLBSA-N 1 1 382.220 4.328 20 0 GIADMO COc1ccc(F)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1OC ZINC000188237738 823207732 /nfs/dbraw/zinc/20/77/32/823207732.db2.gz PPZKKSJFHSTTLM-OAHLLOKOSA-N 1 1 386.467 4.327 20 0 GIADMO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000188238314 823207998 /nfs/dbraw/zinc/20/79/98/823207998.db2.gz CRMXESNRQMEHBE-FGZHOGPDSA-N 1 1 376.504 4.145 20 0 GIADMO CCc1c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000571609518 823208163 /nfs/dbraw/zinc/20/81/63/823208163.db2.gz SJYSFOFPZXOPMD-FQEVSTJZSA-N 1 1 396.579 4.233 20 0 GIADMO CCOc1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc(Cl)c1O ZINC000459513518 823208635 /nfs/dbraw/zinc/20/86/35/823208635.db2.gz BUMPXLTZJNNCNV-IBGZPJMESA-N 1 1 389.858 4.196 20 0 GIADMO COc1sc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)cc1Br ZINC000574407647 823721791 /nfs/dbraw/zinc/72/17/91/823721791.db2.gz VGZXCKFUADKSGD-HNNXBMFYSA-N 1 1 387.318 4.051 20 0 GIADMO CCOc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc(Br)c1O ZINC000459527663 823211954 /nfs/dbraw/zinc/21/19/54/823211954.db2.gz NKPXLLROUYJRKB-MWLCHTKSSA-N 1 1 382.220 4.326 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc(Br)c1O ZINC000459527663 823211957 /nfs/dbraw/zinc/21/19/57/823211957.db2.gz NKPXLLROUYJRKB-MWLCHTKSSA-N 1 1 382.220 4.326 20 0 GIADMO C[C@H](CNC(=O)Nc1cccc(-c2nccs2)c1)[N@@H+]1CCc2sccc2C1 ZINC000056777419 823211989 /nfs/dbraw/zinc/21/19/89/823211989.db2.gz YYWHWTXZHVVNMW-CQSZACIVSA-N 1 1 398.557 4.440 20 0 GIADMO C[C@H](CNC(=O)Nc1cccc(-c2nccs2)c1)[N@H+]1CCc2sccc2C1 ZINC000056777419 823211994 /nfs/dbraw/zinc/21/19/94/823211994.db2.gz YYWHWTXZHVVNMW-CQSZACIVSA-N 1 1 398.557 4.440 20 0 GIADMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(NC(=O)Nc3ccccc3)s1)C2 ZINC000176464948 823213332 /nfs/dbraw/zinc/21/33/32/823213332.db2.gz WZUQLAUHAGXLJS-ALOPSCKCSA-N 1 1 398.532 4.137 20 0 GIADMO C[C@H](c1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1)[NH+]1CCOCC1 ZINC000188285599 823214486 /nfs/dbraw/zinc/21/44/86/823214486.db2.gz GJEIACYBCYQXPS-QGZVFWFLSA-N 1 1 382.479 4.180 20 0 GIADMO CS(=O)(=O)[C@H]1CCC[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459535838 823214501 /nfs/dbraw/zinc/21/45/01/823214501.db2.gz SFFVNJOVFUJDKF-IRIZWXGVSA-N 1 1 399.556 4.178 20 0 GIADMO CS(=O)(=O)[C@H]1CCC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459535838 823214505 /nfs/dbraw/zinc/21/45/05/823214505.db2.gz SFFVNJOVFUJDKF-IRIZWXGVSA-N 1 1 399.556 4.178 20 0 GIADMO CSc1ccc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571663268 823215785 /nfs/dbraw/zinc/21/57/85/823215785.db2.gz LUJAKDQBAHSWKP-QHCPKHFHSA-N 1 1 395.572 4.216 20 0 GIADMO CCCn1nccc1C1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000459541547 823215922 /nfs/dbraw/zinc/21/59/22/823215922.db2.gz ZQEAARHIXPZSIO-UHFFFAOYSA-N 1 1 378.314 4.141 20 0 GIADMO COCc1cc(C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]2C)no1 ZINC000459549601 823217733 /nfs/dbraw/zinc/21/77/33/823217733.db2.gz FCEWLNUWFSTSJH-OXJNMPFZSA-N 1 1 388.508 4.419 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459548959 823217751 /nfs/dbraw/zinc/21/77/51/823217751.db2.gz ZOCINOQXCVWGIH-BEFAXECRSA-N 1 1 393.516 4.162 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559548 823220035 /nfs/dbraw/zinc/22/00/35/823220035.db2.gz KSBOIFDXIGPYCX-RNODOKPDSA-N 1 1 391.512 4.459 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559548 823220038 /nfs/dbraw/zinc/22/00/38/823220038.db2.gz KSBOIFDXIGPYCX-RNODOKPDSA-N 1 1 391.512 4.459 20 0 GIADMO CCO[C@@H]1C[C@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)[C@H]1Sc1ccccc1 ZINC000459561248 823220585 /nfs/dbraw/zinc/22/05/85/823220585.db2.gz RHPDMYHWCKFLRD-KZKAQZJJSA-N 1 1 398.572 4.003 20 0 GIADMO CSc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1Cl ZINC000176496623 823221076 /nfs/dbraw/zinc/22/10/76/823221076.db2.gz LVSUJGDGVPPBGH-IBGZPJMESA-N 1 1 390.936 4.198 20 0 GIADMO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nn1C(C)(C)C ZINC000409450982 823221327 /nfs/dbraw/zinc/22/13/27/823221327.db2.gz CQUUEACVCQNJJU-IEBWSBKVSA-N 1 1 382.552 4.327 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000459566098 823221520 /nfs/dbraw/zinc/22/15/20/823221520.db2.gz HBPUGRLCLPZGMH-HSZRJFAPSA-N 1 1 399.556 4.071 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000459566098 823221525 /nfs/dbraw/zinc/22/15/25/823221525.db2.gz HBPUGRLCLPZGMH-HSZRJFAPSA-N 1 1 399.556 4.071 20 0 GIADMO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459573519 823223264 /nfs/dbraw/zinc/22/32/64/823223264.db2.gz RBEAPWITXLVCQA-XXBNENTESA-N 1 1 397.515 4.061 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2Br)c(C)c1OC ZINC000459570217 823222526 /nfs/dbraw/zinc/22/25/26/823222526.db2.gz NUJDSQYUUIQEMN-GFCCVEGCSA-N 1 1 380.282 4.331 20 0 GIADMO CCCN(C(=O)c1ccnc2ccncc21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188348509 823223474 /nfs/dbraw/zinc/22/34/74/823223474.db2.gz MXXBRHOSCKVJEC-FQEVSTJZSA-N 1 1 388.515 4.147 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000409460547 823224290 /nfs/dbraw/zinc/22/42/90/823224290.db2.gz UATWGIDGTGOSMK-OXJNMPFZSA-N 1 1 394.906 4.091 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000409460549 823224446 /nfs/dbraw/zinc/22/44/46/823224446.db2.gz UATWGIDGTGOSMK-UZLBHIALSA-N 1 1 394.906 4.091 20 0 GIADMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc(Br)c1O ZINC000459585661 823225291 /nfs/dbraw/zinc/22/52/91/823225291.db2.gz VDMXHMVHVIRPHL-UAGQMJEPSA-N 1 1 398.341 4.069 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cs1)c1ccc(C)cc1 ZINC000571731923 823227080 /nfs/dbraw/zinc/22/70/80/823227080.db2.gz AOMLAUUXHFIUHF-NJDAHSKKSA-N 1 1 399.560 4.262 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cs1)c1ccc(C)cc1 ZINC000571731923 823227083 /nfs/dbraw/zinc/22/70/83/823227083.db2.gz AOMLAUUXHFIUHF-NJDAHSKKSA-N 1 1 399.560 4.262 20 0 GIADMO CC[C@@H](C)Sc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(C)c1 ZINC000190159102 823544330 /nfs/dbraw/zinc/54/43/30/823544330.db2.gz IFPPIFSDANATKS-DLBZAZTESA-N 1 1 393.597 4.195 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](CCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000459630516 823233113 /nfs/dbraw/zinc/23/31/13/823233113.db2.gz ANZFFMGAQROBCF-MRXNPFEDSA-N 1 1 377.834 4.400 20 0 GIADMO CCN(C(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2)[C@H](C)c1ccc(F)cc1 ZINC000459628582 823232381 /nfs/dbraw/zinc/23/23/81/823232381.db2.gz DBGXFYADIABHED-UONOGXRCSA-N 1 1 375.513 4.031 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000176540868 823232499 /nfs/dbraw/zinc/23/24/99/823232499.db2.gz XMGWKBNKTLAEMM-OAHLLOKOSA-N 1 1 383.521 4.156 20 0 GIADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000056946755 823233934 /nfs/dbraw/zinc/23/39/34/823233934.db2.gz BGHAUFIKPARQON-HCXYKTFWSA-N 1 1 398.551 4.083 20 0 GIADMO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1nc2c(s1)CCC2 ZINC000459633961 823233868 /nfs/dbraw/zinc/23/38/68/823233868.db2.gz GYKLARNTIBRYDN-HOTGVXAUSA-N 1 1 383.561 4.110 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC12CCOCC2 ZINC000459646244 823237439 /nfs/dbraw/zinc/23/74/39/823237439.db2.gz RVEBCBRGWPOKQR-GOSISDBHSA-N 1 1 379.426 4.053 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000459637245 823235205 /nfs/dbraw/zinc/23/52/05/823235205.db2.gz LKIWNRKBRQHIBL-QWRGUYRKSA-N 1 1 399.438 4.208 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459643851 823236761 /nfs/dbraw/zinc/23/67/61/823236761.db2.gz ONZZJUOQDCDKPM-CRAIPNDOSA-N 1 1 398.469 4.257 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459643851 823236762 /nfs/dbraw/zinc/23/67/62/823236762.db2.gz ONZZJUOQDCDKPM-CRAIPNDOSA-N 1 1 398.469 4.257 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)co2)cc1 ZINC000459648232 823238437 /nfs/dbraw/zinc/23/84/37/823238437.db2.gz BZXPQAHRJLOEHG-IRXDYDNUSA-N 1 1 378.394 4.361 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)co2)cc1 ZINC000459648232 823238442 /nfs/dbraw/zinc/23/84/42/823238442.db2.gz BZXPQAHRJLOEHG-IRXDYDNUSA-N 1 1 378.394 4.361 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)co2)cc1 ZINC000459648230 823238593 /nfs/dbraw/zinc/23/85/93/823238593.db2.gz BZXPQAHRJLOEHG-IAGOWNOFSA-N 1 1 378.394 4.361 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)co2)cc1 ZINC000459648230 823238598 /nfs/dbraw/zinc/23/85/98/823238598.db2.gz BZXPQAHRJLOEHG-IAGOWNOFSA-N 1 1 378.394 4.361 20 0 GIADMO Cc1ccc(C(=O)CCC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000571815660 823238723 /nfs/dbraw/zinc/23/87/23/823238723.db2.gz OPULIUCIWIJEPK-HXUWFJFHSA-N 1 1 398.572 4.438 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)CC12CCOCC2 ZINC000459651165 823239128 /nfs/dbraw/zinc/23/91/28/823239128.db2.gz YXFHDOOVDPDPRO-SFHVURJKSA-N 1 1 379.426 4.053 20 0 GIADMO Cc1ccccc1C1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000409529427 823242600 /nfs/dbraw/zinc/24/26/00/823242600.db2.gz OSFLFQAUUAWDNF-JOCHJYFZSA-N 1 1 376.544 4.098 20 0 GIADMO Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccccc2OCc2ccncc2)c(C)c1 ZINC000409523777 823240868 /nfs/dbraw/zinc/24/08/68/823240868.db2.gz ZIDKMOPLJYUDES-UHFFFAOYSA-N 1 1 389.499 4.314 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)CSc2nc3ccccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000176581443 823241516 /nfs/dbraw/zinc/24/15/16/823241516.db2.gz HHOCPSQYHAGTJO-WMZOPIPTSA-N 1 1 395.528 4.089 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000459657150 823241874 /nfs/dbraw/zinc/24/18/74/823241874.db2.gz FGJPNGOVWXNHIV-CRAIPNDOSA-N 1 1 385.533 4.059 20 0 GIADMO COc1cc2nc(C[N@@H+](C)[C@H]3CCC[C@@H]3c3ccccc3)[nH]c(=O)c2cc1OC ZINC000459671485 823247401 /nfs/dbraw/zinc/24/74/01/823247401.db2.gz GTBQDSPTXNPRAB-APWZRJJASA-N 1 1 393.487 4.121 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)n2)cc1 ZINC000121758919 823244805 /nfs/dbraw/zinc/24/48/05/823244805.db2.gz HLKIXLXFLLWYHJ-MJGOQNOKSA-N 1 1 397.475 4.207 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1SC ZINC000459664269 823244870 /nfs/dbraw/zinc/24/48/70/823244870.db2.gz FSKBQJATNVCFIT-MAUKXSAKSA-N 1 1 385.533 4.202 20 0 GIADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2c(F)cccc2Br)c1 ZINC000176599080 823244914 /nfs/dbraw/zinc/24/49/14/823244914.db2.gz ONQNYWLFQJULOU-UHFFFAOYSA-N 1 1 393.300 4.358 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@H+](Cc2ccn(-c3ccccc3)n2)CC12CCOCC2 ZINC000459665558 823245235 /nfs/dbraw/zinc/24/52/35/823245235.db2.gz QLZHCCWPDGZYSC-GOSISDBHSA-N 1 1 379.426 4.053 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)CC12CCOCC2 ZINC000459665558 823245241 /nfs/dbraw/zinc/24/52/41/823245241.db2.gz QLZHCCWPDGZYSC-GOSISDBHSA-N 1 1 379.426 4.053 20 0 GIADMO CCN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1cccnc1 ZINC000571848960 823245281 /nfs/dbraw/zinc/24/52/81/823245281.db2.gz XRGFZLGXPPCQKW-RBBKRZOGSA-N 1 1 394.563 4.476 20 0 GIADMO Cc1cccc2nc(CCC(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)[nH]c21 ZINC000176602163 823245894 /nfs/dbraw/zinc/24/58/94/823245894.db2.gz IVUBKIICCAHBJJ-GOSISDBHSA-N 1 1 390.531 4.146 20 0 GIADMO FC(F)Oc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459670784 823247001 /nfs/dbraw/zinc/24/70/01/823247001.db2.gz VXQLJRFOVJZQPL-HNNXBMFYSA-N 1 1 379.369 4.469 20 0 GIADMO CCc1ccc([C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C(C)C)cc1 ZINC000057128339 823252325 /nfs/dbraw/zinc/25/23/25/823252325.db2.gz BNHFPWBVCFQBAH-QFIPXVFZSA-N 1 1 391.519 4.335 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000409573796 823252347 /nfs/dbraw/zinc/25/23/47/823252347.db2.gz LOQPZFKHDYOTRX-UHFFFAOYSA-N 1 1 395.547 4.246 20 0 GIADMO CCCCOc1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121776341 823248292 /nfs/dbraw/zinc/24/82/92/823248292.db2.gz DSWFKIJOYPBVNT-IBGZPJMESA-N 1 1 394.519 4.296 20 0 GIADMO COc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc(OC)c1Cl ZINC000459682944 823249945 /nfs/dbraw/zinc/24/99/45/823249945.db2.gz TYGOPMYLGJMLBF-CQSZACIVSA-N 1 1 383.920 4.133 20 0 GIADMO FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000121786843 823251190 /nfs/dbraw/zinc/25/11/90/823251190.db2.gz QUYYJRNLEIIXAH-OAHLLOKOSA-N 1 1 376.382 4.008 20 0 GIADMO CC(C)[C@@H]1C[C@H](CC(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)CCO1 ZINC000571910541 823252947 /nfs/dbraw/zinc/25/29/47/823252947.db2.gz GKCCMVFKJZGHDY-ZBFHGGJFSA-N 1 1 379.570 4.080 20 0 GIADMO CC(C)c1nnc(CCC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)o1 ZINC000176629745 823253247 /nfs/dbraw/zinc/25/32/47/823253247.db2.gz UMZWSNQMGYSQMP-UHFFFAOYSA-N 1 1 398.551 4.207 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(F)cc2Br)[C@@H]1O ZINC000459711485 823255242 /nfs/dbraw/zinc/25/52/42/823255242.db2.gz SOVSJZCDXBFSAL-HIFRSBDPSA-N 1 1 386.286 4.013 20 0 GIADMO CCc1ccc(C(C)(C)NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000176653510 823258035 /nfs/dbraw/zinc/25/80/35/823258035.db2.gz WJTYLZAAJUUEIN-UHFFFAOYSA-N 1 1 385.577 4.277 20 0 GIADMO Fc1cccc(C[N@H+]2CCC[C@H](c3nc([C@H]4COc5ccccc5O4)no3)C2)c1 ZINC000571935355 823256694 /nfs/dbraw/zinc/25/66/94/823256694.db2.gz KRXSRVZVRYVMQH-OXJNMPFZSA-N 1 1 395.434 4.101 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000571933926 823256899 /nfs/dbraw/zinc/25/68/99/823256899.db2.gz DQFWIGUEIUGTMZ-SIKLNZKXSA-N 1 1 392.547 4.468 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000409592834 823256904 /nfs/dbraw/zinc/25/69/04/823256904.db2.gz GAIPXOQMROWFBJ-UHFFFAOYSA-N 1 1 388.830 4.304 20 0 GIADMO Cc1oc2ccccc2c1CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000571936161 823257260 /nfs/dbraw/zinc/25/72/60/823257260.db2.gz ZNNCROBHXLSTRQ-UHFFFAOYSA-N 1 1 378.476 4.044 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000571943484 823258303 /nfs/dbraw/zinc/25/83/03/823258303.db2.gz XLVOUAHUKIQUOX-OAQYLSRUSA-N 1 1 389.503 4.010 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000571943484 823258307 /nfs/dbraw/zinc/25/83/07/823258307.db2.gz XLVOUAHUKIQUOX-OAQYLSRUSA-N 1 1 389.503 4.010 20 0 GIADMO CCCc1occc1C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000409600087 823258462 /nfs/dbraw/zinc/25/84/62/823258462.db2.gz UQPKVYWMHRRMOM-UHFFFAOYSA-N 1 1 383.492 4.217 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000571947345 823258632 /nfs/dbraw/zinc/25/86/32/823258632.db2.gz LELZIOQVGMXCGJ-JOCHJYFZSA-N 1 1 390.531 4.088 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N([C@H](C)c2ccco2)C2CC2)cc1F ZINC000121828874 823258952 /nfs/dbraw/zinc/25/89/52/823258952.db2.gz OAODGAVDXSCDTD-CQSZACIVSA-N 1 1 382.439 4.348 20 0 GIADMO COc1ccc([C@@H](CO)CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000459741009 823259200 /nfs/dbraw/zinc/25/92/00/823259200.db2.gz JVZFZYFNEYADIO-LJQANCHMSA-N 1 1 376.585 4.040 20 0 GIADMO COc1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459746494 823259562 /nfs/dbraw/zinc/25/95/62/823259562.db2.gz CAVFCFYMRABUPM-QAPCUYQASA-N 1 1 385.533 4.202 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cnc(-c2ccccc2)nc1 ZINC000571959612 823260695 /nfs/dbraw/zinc/26/06/95/823260695.db2.gz ANPJDTOWTYQVLN-HSZRJFAPSA-N 1 1 387.531 4.025 20 0 GIADMO C[N@@H+](CCCNC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)C1CCCCC1 ZINC000571959726 823260737 /nfs/dbraw/zinc/26/07/37/823260737.db2.gz JAICCWKWKIGLRS-LJQANCHMSA-N 1 1 375.532 4.054 20 0 GIADMO Cc1cnc([C@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459765598 823262282 /nfs/dbraw/zinc/26/22/82/823262282.db2.gz NXZXGTCRNVBQGA-BULFRSBZSA-N 1 1 379.479 4.441 20 0 GIADMO Cc1cnc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459765598 823262285 /nfs/dbraw/zinc/26/22/85/823262285.db2.gz NXZXGTCRNVBQGA-BULFRSBZSA-N 1 1 379.479 4.441 20 0 GIADMO COc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1-c1ccccn1 ZINC000121856587 823263989 /nfs/dbraw/zinc/26/39/89/823263989.db2.gz TZKBGKSWBCJJIS-GOSISDBHSA-N 1 1 381.520 4.142 20 0 GIADMO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)Cc1ccc(Cl)cc1 ZINC000409623211 823264300 /nfs/dbraw/zinc/26/43/00/823264300.db2.gz HGCCWPJSBPUCQU-HNNXBMFYSA-N 1 1 390.911 4.057 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)Cc1ccc(Cl)cc1 ZINC000409623211 823264301 /nfs/dbraw/zinc/26/43/01/823264301.db2.gz HGCCWPJSBPUCQU-HNNXBMFYSA-N 1 1 390.911 4.057 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000409625106 823264931 /nfs/dbraw/zinc/26/49/31/823264931.db2.gz OGRHNGBIZHXBHG-NZSAHSFTSA-N 1 1 379.495 4.164 20 0 GIADMO CCCc1ccc(C(=O)CCC(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000057221735 823266672 /nfs/dbraw/zinc/26/66/72/823266672.db2.gz OASIZTTWQPEUNL-UHFFFAOYSA-N 1 1 376.460 4.130 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409629650 823266860 /nfs/dbraw/zinc/26/68/60/823266860.db2.gz HJTQHGGDHHIITP-MJGOQNOKSA-N 1 1 379.495 4.118 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[N@H+]1C ZINC000572018697 823269557 /nfs/dbraw/zinc/26/95/57/823269557.db2.gz MRLIJNFTGCNPAV-OCCSQVGLSA-N 1 1 378.929 4.410 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000188610458 823272345 /nfs/dbraw/zinc/27/23/45/823272345.db2.gz AEVQNDBVTUWPBU-SFHVURJKSA-N 1 1 385.552 4.070 20 0 GIADMO C[C@]1(c2ccccc2)CCN(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C1=O ZINC000188639186 823278412 /nfs/dbraw/zinc/27/84/12/823278412.db2.gz ZPGHDLHOOKGHBI-MHECFPHRSA-N 1 1 389.499 4.155 20 0 GIADMO C[C@]1(c2ccccc2)CCN(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C1=O ZINC000188639186 823278415 /nfs/dbraw/zinc/27/84/15/823278415.db2.gz ZPGHDLHOOKGHBI-MHECFPHRSA-N 1 1 389.499 4.155 20 0 GIADMO COc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000005702803 817610405 /nfs/dbraw/zinc/61/04/05/817610405.db2.gz QTVIOTFNBNGNTB-UHFFFAOYSA-N 1 1 381.501 4.123 20 0 GIADMO CCCOc1ccccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000409670415 823279221 /nfs/dbraw/zinc/27/92/21/823279221.db2.gz WUPWLYMWVRBPFZ-SFHVURJKSA-N 1 1 397.519 4.018 20 0 GIADMO CCCOc1ccccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000409670415 823279227 /nfs/dbraw/zinc/27/92/27/823279227.db2.gz WUPWLYMWVRBPFZ-SFHVURJKSA-N 1 1 397.519 4.018 20 0 GIADMO CN(CCC1CCOCC1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000176728863 823279310 /nfs/dbraw/zinc/27/93/10/823279310.db2.gz VBVPXJXUZZNOAL-UHFFFAOYSA-N 1 1 380.532 4.207 20 0 GIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)C(C)(F)F)c1 ZINC000460016441 823279274 /nfs/dbraw/zinc/27/92/74/823279274.db2.gz KLFPAIJWTCGLFP-ZDUSSCGKSA-N 1 1 399.457 4.259 20 0 GIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)C(C)(F)F)c1 ZINC000460016441 823279280 /nfs/dbraw/zinc/27/92/80/823279280.db2.gz KLFPAIJWTCGLFP-ZDUSSCGKSA-N 1 1 399.457 4.259 20 0 GIADMO O=C(c1ccsc1Br)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000460025358 823280535 /nfs/dbraw/zinc/28/05/35/823280535.db2.gz NXRPHJGCNMLZEU-ZDUSSCGKSA-N 1 1 377.307 4.135 20 0 GIADMO FC(F)OC[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000572081533 823279668 /nfs/dbraw/zinc/27/96/68/823279668.db2.gz UVPGHDQUIQZSEY-SECBINFHSA-N 1 1 399.073 4.273 20 0 GIADMO FC(F)OC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000572081533 823279670 /nfs/dbraw/zinc/27/96/70/823279670.db2.gz UVPGHDQUIQZSEY-SECBINFHSA-N 1 1 399.073 4.273 20 0 GIADMO Fc1ccc2c(c1)onc2C1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000572057539 823275704 /nfs/dbraw/zinc/27/57/04/823275704.db2.gz GWUBMZZWZLSWKB-UHFFFAOYSA-N 1 1 381.455 4.131 20 0 GIADMO C[C@@H](c1ccco1)N(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000121913374 823276029 /nfs/dbraw/zinc/27/60/29/823276029.db2.gz USXWJTUVGYRATP-DLBZAZTESA-N 1 1 387.549 4.488 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CC[C@H](c2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000572100230 823283236 /nfs/dbraw/zinc/28/32/36/823283236.db2.gz MJNKDUWGEGPMSY-ZFWWWQNUSA-N 1 1 378.303 4.055 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409704496 823286799 /nfs/dbraw/zinc/28/67/99/823286799.db2.gz YNPQNZIUNVBXCK-OALUTQOASA-N 1 1 396.579 4.245 20 0 GIADMO CCc1cccc(C)c1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176767863 823288151 /nfs/dbraw/zinc/28/81/51/823288151.db2.gz KRTPMZMYQDIJRV-KDURUIRLSA-N 1 1 387.568 4.301 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000460133424 823291481 /nfs/dbraw/zinc/29/14/81/823291481.db2.gz JJMDGLOOHSYQEN-WIYYLYMNSA-N 1 1 397.567 4.249 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C2CC2)cc1 ZINC000007244226 817802760 /nfs/dbraw/zinc/80/27/60/817802760.db2.gz HASGBEOALJMVDF-UHFFFAOYSA-N 1 1 393.531 4.289 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C2CC2)cc1 ZINC000007244226 817802767 /nfs/dbraw/zinc/80/27/67/817802767.db2.gz HASGBEOALJMVDF-UHFFFAOYSA-N 1 1 393.531 4.289 20 0 GIADMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267386 817807671 /nfs/dbraw/zinc/80/76/71/817807671.db2.gz DRVFARISSYRMPO-LLVKDONJSA-N 1 1 381.259 4.181 20 0 GIADMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267386 817807679 /nfs/dbraw/zinc/80/76/79/817807679.db2.gz DRVFARISSYRMPO-LLVKDONJSA-N 1 1 381.259 4.181 20 0 GIADMO CC(C)c1ccc(Cn2nccc2NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000460124721 823289651 /nfs/dbraw/zinc/28/96/51/823289651.db2.gz SFEDXSSBNWRRAI-IBGZPJMESA-N 1 1 395.507 4.072 20 0 GIADMO CCOc1cc(NC(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000460127633 823290378 /nfs/dbraw/zinc/29/03/78/823290378.db2.gz NFDKQBAMGOTUFG-HXUWFJFHSA-N 1 1 397.519 4.222 20 0 GIADMO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000460130078 823290920 /nfs/dbraw/zinc/29/09/20/823290920.db2.gz KTVBAKMWQUNCMM-HBUWYVDXSA-N 1 1 382.335 4.371 20 0 GIADMO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000007452147 817844613 /nfs/dbraw/zinc/84/46/13/817844613.db2.gz MIMQXDOSBATHFQ-UHFFFAOYSA-N 1 1 378.472 4.236 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccc3ccccc3c2)cc1OC ZINC000007452147 817844619 /nfs/dbraw/zinc/84/46/19/817844619.db2.gz MIMQXDOSBATHFQ-UHFFFAOYSA-N 1 1 378.472 4.236 20 0 GIADMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1 ZINC000572165323 823293035 /nfs/dbraw/zinc/29/30/35/823293035.db2.gz AZAOXNFFAJCSEF-HOCLYGCPSA-N 1 1 381.442 4.431 20 0 GIADMO COCC[N@@H+](C)CC[C@@H](NC(=O)[C@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000460150464 823298022 /nfs/dbraw/zinc/29/80/22/823298022.db2.gz MYDJYDMYGNFRNZ-DYESRHJHSA-N 1 1 388.939 4.269 20 0 GIADMO COc1ccc([C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 ZINC000122020993 823294465 /nfs/dbraw/zinc/29/44/65/823294465.db2.gz LDALAIMGFNGGSJ-CVEARBPZSA-N 1 1 393.327 4.316 20 0 GIADMO COCC[N@@H+](C)CC[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000460149709 823297820 /nfs/dbraw/zinc/29/78/20/823297820.db2.gz JQKZSLBVIFJOJO-SFTDATJTSA-N 1 1 398.572 4.092 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000007652925 817888213 /nfs/dbraw/zinc/88/82/13/817888213.db2.gz JKBVHXOMLFQDHU-CYBMUJFWSA-N 1 1 381.303 4.311 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000007652925 817888222 /nfs/dbraw/zinc/88/82/22/817888222.db2.gz JKBVHXOMLFQDHU-CYBMUJFWSA-N 1 1 381.303 4.311 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(OC[C@@H]4CCCO4)CC3)o2)cc1C ZINC000122062436 823300563 /nfs/dbraw/zinc/30/05/63/823300563.db2.gz ZUJAIWUOWUZLRB-PXNSSMCTSA-N 1 1 385.508 4.074 20 0 GIADMO CC(C)n1cnc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000409768781 823303210 /nfs/dbraw/zinc/30/32/10/823303210.db2.gz SPUCTWXXKHOLEC-UHFFFAOYSA-N 1 1 380.536 4.125 20 0 GIADMO O=C(Cc1c[nH]c2cc(F)ccc12)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572210938 823301304 /nfs/dbraw/zinc/30/13/04/823301304.db2.gz BHRCMFKYOKUONZ-LJQANCHMSA-N 1 1 393.506 4.268 20 0 GIADMO CCCOc1cc(OC)ccc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000188773247 823302072 /nfs/dbraw/zinc/30/20/72/823302072.db2.gz DRJMQYBOEFSGNJ-QGZVFWFLSA-N 1 1 398.503 4.130 20 0 GIADMO CC[C@H](C)Oc1cccc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000057479219 823302054 /nfs/dbraw/zinc/30/20/54/823302054.db2.gz NISHRTZWAIDSBT-SFHVURJKSA-N 1 1 397.519 4.018 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(Br)cc1 ZINC000007915737 817957292 /nfs/dbraw/zinc/95/72/92/817957292.db2.gz PURUDIWGLMYPCR-UHFFFAOYSA-N 1 1 399.235 4.121 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(Br)cc1 ZINC000007915737 817957299 /nfs/dbraw/zinc/95/72/99/817957299.db2.gz PURUDIWGLMYPCR-UHFFFAOYSA-N 1 1 399.235 4.121 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000572203427 823299486 /nfs/dbraw/zinc/29/94/86/823299486.db2.gz YZWROTOUYLXRPY-HNNXBMFYSA-N 1 1 377.916 4.164 20 0 GIADMO Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s1 ZINC000008072295 817994166 /nfs/dbraw/zinc/99/41/66/817994166.db2.gz FQKPNZNCLVIDOO-KRWDZBQOSA-N 1 1 381.501 4.278 20 0 GIADMO C[C@H](C1CC1)n1cc(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)cn1 ZINC000188781672 823304271 /nfs/dbraw/zinc/30/42/71/823304271.db2.gz VXTUTXZQJBGGRK-OAHLLOKOSA-N 1 1 385.537 4.047 20 0 GIADMO CCCc1ccccc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176838418 823305865 /nfs/dbraw/zinc/30/58/65/823305865.db2.gz FGMPKKSGKSKTDL-KDURUIRLSA-N 1 1 387.568 4.382 20 0 GIADMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000008261800 818025548 /nfs/dbraw/zinc/02/55/48/818025548.db2.gz ZKNYKLLGVDXJHG-HNNXBMFYSA-N 1 1 381.501 4.123 20 0 GIADMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000008261800 818025554 /nfs/dbraw/zinc/02/55/54/818025554.db2.gz ZKNYKLLGVDXJHG-HNNXBMFYSA-N 1 1 381.501 4.123 20 0 GIADMO C[N@H+]1CCCC[C@@H]1CCSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000057530300 823307072 /nfs/dbraw/zinc/30/70/72/823307072.db2.gz GIAFGQNZDBFPLC-LJQANCHMSA-N 1 1 399.608 4.220 20 0 GIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=S)Nc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000011084171 818050824 /nfs/dbraw/zinc/05/08/24/818050824.db2.gz ZXXBBAUQFWZZEM-VXGBXAGGSA-N 1 1 390.380 4.168 20 0 GIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=S)Nc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000011084148 818051072 /nfs/dbraw/zinc/05/10/72/818051072.db2.gz LPQLRCBRGCIOKQ-TXEJJXNPSA-N 1 1 390.380 4.168 20 0 GIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=S)Nc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000011084148 818051081 /nfs/dbraw/zinc/05/10/81/818051081.db2.gz LPQLRCBRGCIOKQ-TXEJJXNPSA-N 1 1 390.380 4.168 20 0 GIADMO CCN1C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)Oc2ccccc21 ZINC000011193458 818060438 /nfs/dbraw/zinc/06/04/38/818060438.db2.gz WJRQABASYDVNLW-VQTJNVASSA-N 1 1 395.547 4.158 20 0 GIADMO CCN1C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)Oc2ccccc21 ZINC000011193458 818060448 /nfs/dbraw/zinc/06/04/48/818060448.db2.gz WJRQABASYDVNLW-VQTJNVASSA-N 1 1 395.547 4.158 20 0 GIADMO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000011209142 818062093 /nfs/dbraw/zinc/06/20/93/818062093.db2.gz OAKXUSLGBUEZLA-FQEVSTJZSA-N 1 1 394.437 4.372 20 0 GIADMO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000011209142 818062097 /nfs/dbraw/zinc/06/20/97/818062097.db2.gz OAKXUSLGBUEZLA-FQEVSTJZSA-N 1 1 394.437 4.372 20 0 GIADMO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460185115 823309227 /nfs/dbraw/zinc/30/92/27/823309227.db2.gz RWPFARIWSRFAAO-ROUUACIJSA-N 1 1 387.597 4.208 20 0 GIADMO COc1cc(CN(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1SC ZINC000057551510 823309502 /nfs/dbraw/zinc/30/95/02/823309502.db2.gz LTXCTSPBMBLGKP-LJQANCHMSA-N 1 1 384.545 4.040 20 0 GIADMO COCC[N@H+](C)CCCC1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000122124674 823309654 /nfs/dbraw/zinc/30/96/54/823309654.db2.gz OJBOZFAUFBQCHC-UHFFFAOYSA-N 1 1 389.515 4.051 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000122124674 823309662 /nfs/dbraw/zinc/30/96/62/823309662.db2.gz OJBOZFAUFBQCHC-UHFFFAOYSA-N 1 1 389.515 4.051 20 0 GIADMO CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc2c(c1)OCO2 ZINC000011351733 818074502 /nfs/dbraw/zinc/07/45/02/818074502.db2.gz PIKFGPDAUKYKIX-UHFFFAOYSA-N 1 1 381.259 4.183 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc2c(c1)OCO2 ZINC000011351733 818074509 /nfs/dbraw/zinc/07/45/09/818074509.db2.gz PIKFGPDAUKYKIX-UHFFFAOYSA-N 1 1 381.259 4.183 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1ccc(OC)c(OC)c1 ZINC000011365410 818074922 /nfs/dbraw/zinc/07/49/22/818074922.db2.gz OMQGJRIPTWJIQH-UHFFFAOYSA-N 1 1 390.911 4.435 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1ccc(OC)c(OC)c1 ZINC000011365410 818074931 /nfs/dbraw/zinc/07/49/31/818074931.db2.gz OMQGJRIPTWJIQH-UHFFFAOYSA-N 1 1 390.911 4.435 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)cc1OC ZINC000176853856 823310336 /nfs/dbraw/zinc/31/03/36/823310336.db2.gz URLNOBKJYBXHRE-UHFFFAOYSA-N 1 1 388.533 4.418 20 0 GIADMO C[C@H](C1CC1)[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccccc1 ZINC000057566861 823310609 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CC(=O)N1CC[NH+](Cc2cccc(NCc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000189509351 823433823 /nfs/dbraw/zinc/43/38/23/823433823.db2.gz PZYHZMFLVTZROO-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(OCc3ccccc3)c(OC)c2)o1 ZINC000024731794 819869410 /nfs/dbraw/zinc/86/94/10/819869410.db2.gz NUIJJDDFVKMPPC-UHFFFAOYSA-N 1 1 395.455 4.286 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(OCc3ccccc3)c(OC)c2)o1 ZINC000024731794 819869419 /nfs/dbraw/zinc/86/94/19/819869419.db2.gz NUIJJDDFVKMPPC-UHFFFAOYSA-N 1 1 395.455 4.286 20 0 GIADMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCc1ccccn1)CC2 ZINC000024786806 819876798 /nfs/dbraw/zinc/87/67/98/819876798.db2.gz SQXPEKCTLCICFR-QFIPXVFZSA-N 1 1 380.513 4.351 20 0 GIADMO COCCc1ccccc1NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000189513734 823435240 /nfs/dbraw/zinc/43/52/40/823435240.db2.gz DSQOZWJKLBYSMB-UHFFFAOYSA-N 1 1 395.547 4.251 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000177332411 823436510 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O=C(NC1CC1)c1ccc(C[N@@H+](Cc2nc3ccccc3s2)C2CC2)cc1 ZINC000025182375 819939265 /nfs/dbraw/zinc/93/92/65/819939265.db2.gz BFOBJDDQBWYEJV-UHFFFAOYSA-N 1 1 377.513 4.353 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000025233145 819946918 /nfs/dbraw/zinc/94/69/18/819946918.db2.gz IMPOTAOGFPDEHN-KRWDZBQOSA-N 1 1 384.545 4.466 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000025233145 819946922 /nfs/dbraw/zinc/94/69/22/819946922.db2.gz IMPOTAOGFPDEHN-KRWDZBQOSA-N 1 1 384.545 4.466 20 0 GIADMO C[NH+](C)Cc1ccc(CNCc2cc(Br)ccc2OC(F)F)cc1 ZINC000122960177 823439997 /nfs/dbraw/zinc/43/99/97/823439997.db2.gz PFSSNVQCMOJVSI-UHFFFAOYSA-N 1 1 399.279 4.402 20 0 GIADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(SC(F)(F)F)cc1 ZINC000025252328 819950560 /nfs/dbraw/zinc/95/05/60/819950560.db2.gz QTSZQMQGKXLZSI-MRXNPFEDSA-N 1 1 380.435 4.303 20 0 GIADMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000573057772 823441881 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1 393.531 4.190 20 0 GIADMO CCCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000025510051 819992619 /nfs/dbraw/zinc/99/26/19/819992619.db2.gz GWUNDDQFHXSIIE-SFHVURJKSA-N 1 1 381.520 4.190 20 0 GIADMO CC(C)n1c(-c2cccnc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000573074528 823443920 /nfs/dbraw/zinc/44/39/20/823443920.db2.gz OUFAUBLVNXGZPX-MOPGFXCFSA-N 1 1 382.556 4.012 20 0 GIADMO Cc1ccc(C(=O)CCC(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)s1 ZINC000025537018 819999612 /nfs/dbraw/zinc/99/96/12/819999612.db2.gz LRZXRLAAULOGLP-HXUWFJFHSA-N 1 1 398.572 4.219 20 0 GIADMO CC(C)[C@@H](CNC(=O)c1ccccc1OC(F)F)[N@H+]1CCc2ccccc2C1 ZINC000025540131 820000054 /nfs/dbraw/zinc/00/00/54/820000054.db2.gz RASREIBZXMZLCV-LJQANCHMSA-N 1 1 388.458 4.101 20 0 GIADMO CSCc1c2ccccc2oc1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025630367 820008500 /nfs/dbraw/zinc/00/85/00/820008500.db2.gz HILKRSWQNDPLEK-MRXNPFEDSA-N 1 1 394.540 4.472 20 0 GIADMO CSCc1c2ccccc2oc1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025630367 820008511 /nfs/dbraw/zinc/00/85/11/820008511.db2.gz HILKRSWQNDPLEK-MRXNPFEDSA-N 1 1 394.540 4.472 20 0 GIADMO CCC[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000058755555 823445027 /nfs/dbraw/zinc/44/50/27/823445027.db2.gz CYBTWXBBJNVTQR-UHFFFAOYSA-N 1 1 396.350 4.135 20 0 GIADMO CCC[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000058755555 823445029 /nfs/dbraw/zinc/44/50/29/823445029.db2.gz CYBTWXBBJNVTQR-UHFFFAOYSA-N 1 1 396.350 4.135 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000573080794 823445273 /nfs/dbraw/zinc/44/52/73/823445273.db2.gz HVCJXBRDLZUNFQ-CQSZACIVSA-N 1 1 395.425 4.131 20 0 GIADMO CCOc1ccc(-c2nc(C)c(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1 ZINC000123048530 823453175 /nfs/dbraw/zinc/45/31/75/823453175.db2.gz RZUADQCGBRGCTB-PBHICJAKSA-N 1 1 387.549 4.072 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C2CC2)cc1 ZINC000025947786 820043633 /nfs/dbraw/zinc/04/36/33/820043633.db2.gz WOFULCFMKVHJPW-UHFFFAOYSA-N 1 1 388.515 4.013 20 0 GIADMO CC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccc(OC)cc1 ZINC000026164699 820065735 /nfs/dbraw/zinc/06/57/35/820065735.db2.gz PAIGYIDAQVYZCP-JOCHJYFZSA-N 1 1 395.547 4.282 20 0 GIADMO c1c(C[NH2+][C@@H]2CCc3ccc(-c4ccccc4)cc32)nnn1Cc1cccnc1 ZINC000189578719 823450067 /nfs/dbraw/zinc/45/00/67/823450067.db2.gz DERWDQXJEMSDHG-XMMPIXPASA-N 1 1 381.483 4.166 20 0 GIADMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000026208144 820069200 /nfs/dbraw/zinc/06/92/00/820069200.db2.gz VRXKREDCSMXJEY-GFCCVEGCSA-N 1 1 395.286 4.239 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000026208144 820069213 /nfs/dbraw/zinc/06/92/13/820069213.db2.gz VRXKREDCSMXJEY-GFCCVEGCSA-N 1 1 395.286 4.239 20 0 GIADMO COc1ccccc1-n1cnn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1=S ZINC000026237556 820073413 /nfs/dbraw/zinc/07/34/13/820073413.db2.gz OWSDDSMEKAFHLL-GOSISDBHSA-N 1 1 380.517 4.076 20 0 GIADMO COc1ccccc1-n1cnn(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1=S ZINC000026237556 820073419 /nfs/dbraw/zinc/07/34/19/820073419.db2.gz OWSDDSMEKAFHLL-GOSISDBHSA-N 1 1 380.517 4.076 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000026321207 820082393 /nfs/dbraw/zinc/08/23/93/820082393.db2.gz QHMLKXIIMRMTOY-UHFFFAOYSA-N 1 1 395.286 4.241 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177398889 823453553 /nfs/dbraw/zinc/45/35/53/823453553.db2.gz PSNMNIITALNMEA-CHWSQXEVSA-N 1 1 384.904 4.141 20 0 GIADMO C[C@@H](c1ccco1)N(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000123037327 823451489 /nfs/dbraw/zinc/45/14/89/823451489.db2.gz IMCVEWZITNMWFR-LQWHRVPQSA-N 1 1 381.520 4.425 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000026344276 820086525 /nfs/dbraw/zinc/08/65/25/820086525.db2.gz YMJKSWAWNWQAPT-AWEZNQCLSA-N 1 1 387.936 4.429 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000026344276 820086533 /nfs/dbraw/zinc/08/65/33/820086533.db2.gz 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COc1ccccc1C[N@@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000028852265 820363890 /nfs/dbraw/zinc/36/38/90/820363890.db2.gz PPGNZOHLBDMOBR-UHFFFAOYSA-N 1 1 388.511 4.423 20 0 GIADMO COc1ccccc1C[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000028852268 820364042 /nfs/dbraw/zinc/36/40/42/820364042.db2.gz DDGMYRPAPFHSBM-HSZRJFAPSA-N 1 1 394.540 4.484 20 0 GIADMO Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)n2)cc1 ZINC000028856242 820364751 /nfs/dbraw/zinc/36/47/51/820364751.db2.gz BSVFOSXYNLRQPY-UHFFFAOYSA-N 1 1 375.476 4.018 20 0 GIADMO Cc1cc(/C=C(/C#N)C(=O)NCCCn2cc[nH+]c2C)c(C)n1C1CCCCC1 ZINC000058970820 823477337 /nfs/dbraw/zinc/47/73/37/823477337.db2.gz DPLZULZYGXCTNG-QNGOZBTKSA-N 1 1 393.535 4.229 20 0 GIADMO COc1ccc(CCC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1F ZINC000058948739 823474247 /nfs/dbraw/zinc/47/42/47/823474247.db2.gz SBBHZLWZYDUAGN-GOSISDBHSA-N 1 1 398.522 4.315 20 0 GIADMO C[C@H](Cc1cccs1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410362237 823474509 /nfs/dbraw/zinc/47/45/09/823474509.db2.gz UOHGGBVKGGHXFG-QZTJIDSGSA-N 1 1 385.577 4.410 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]1c1cccn1C ZINC000410362276 823474836 /nfs/dbraw/zinc/47/48/36/823474836.db2.gz UWRDCYQHPJTJTD-CVDCTZTESA-N 1 1 394.563 4.446 20 0 GIADMO COc1ccc2nc(C)c(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc2c1 ZINC000029050280 820387375 /nfs/dbraw/zinc/38/73/75/820387375.db2.gz RHQWYDMMGBXWEX-NRFANRHFSA-N 1 1 397.906 4.238 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000029143381 820398601 /nfs/dbraw/zinc/39/86/01/820398601.db2.gz GGFPBCGZLNXDCW-HNNXBMFYSA-N 1 1 376.884 4.077 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000029143381 820398612 /nfs/dbraw/zinc/39/86/12/820398612.db2.gz GGFPBCGZLNXDCW-HNNXBMFYSA-N 1 1 376.884 4.077 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@@]2(CC)CO)cs1 ZINC000189688602 823476212 /nfs/dbraw/zinc/47/62/12/823476212.db2.gz ZHUAOHNXJKRTAX-NRFANRHFSA-N 1 1 387.549 4.127 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@@]2(CC)CO)cs1 ZINC000189688602 823476218 /nfs/dbraw/zinc/47/62/18/823476218.db2.gz ZHUAOHNXJKRTAX-NRFANRHFSA-N 1 1 387.549 4.127 20 0 GIADMO CC(C)[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000029173997 820405388 /nfs/dbraw/zinc/40/53/88/820405388.db2.gz QLEISDPFUUIMTO-XMMPIXPASA-N 1 1 389.543 4.300 20 0 GIADMO CC[C@@H](CNC(=O)c1nc(-c2cccs2)oc1C)[N@H+]1CCc2ccccc2C1 ZINC000059010596 823483018 /nfs/dbraw/zinc/48/30/18/823483018.db2.gz GNXOZZQFNOSXPV-SFHVURJKSA-N 1 1 395.528 4.278 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1OC(F)F ZINC000410389198 823483599 /nfs/dbraw/zinc/48/35/99/823483599.db2.gz BDGZDCABXGGMGH-UHFFFAOYSA-N 1 1 377.435 4.450 20 0 GIADMO CC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000410375634 823480352 /nfs/dbraw/zinc/48/03/52/823480352.db2.gz PODRJFGZIVHCSO-QGZVFWFLSA-N 1 1 379.504 4.443 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000573331497 823480817 /nfs/dbraw/zinc/48/08/17/823480817.db2.gz KIDIYCKHWRUSHB-MBSDFSHPSA-N 1 1 388.515 4.185 20 0 GIADMO Cc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000029504328 820464869 /nfs/dbraw/zinc/46/48/69/820464869.db2.gz NWIYDYFJAOQRHG-OAQYLSRUSA-N 1 1 396.922 4.175 20 0 GIADMO CSCC[C@H]([NH2+]Cc1ccc(Br)cc1)c1nnc2ccccn21 ZINC000123224433 823481228 /nfs/dbraw/zinc/48/12/28/823481228.db2.gz AIAVPDUTTCDNLE-HNNXBMFYSA-N 1 1 391.338 4.076 20 0 GIADMO CSCC[C@@H]([NH2+]Cc1cccc(Br)c1)c1nnc2ccccn21 ZINC000123225553 823481291 /nfs/dbraw/zinc/48/12/91/823481291.db2.gz MIHUXYZDXOJJGC-OAHLLOKOSA-N 1 1 391.338 4.076 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)CC2CCCCC2)c(C(F)(F)F)c1 ZINC000029523793 820468620 /nfs/dbraw/zinc/46/86/20/820468620.db2.gz XWPONXXWJLJQDK-UHFFFAOYSA-N 1 1 385.430 4.114 20 0 GIADMO CCCCn1c2nn(C[N@H+](CC3CC3)C(C)C)c(=S)n2c2ccccc2c1=O ZINC000029542096 820473560 /nfs/dbraw/zinc/47/35/60/820473560.db2.gz JZDQBQQZVCEHMF-UHFFFAOYSA-N 1 1 399.564 4.058 20 0 GIADMO CCCCn1c2nn(C[N@@H+](CC3CC3)C(C)C)c(=S)n2c2ccccc2c1=O ZINC000029542096 820473565 /nfs/dbraw/zinc/47/35/65/820473565.db2.gz JZDQBQQZVCEHMF-UHFFFAOYSA-N 1 1 399.564 4.058 20 0 GIADMO CC(C)n1ncc2cc(C(=O)Nc3nc(C[NH+]4CCCCCC4)cs3)cnc21 ZINC000029638751 820489610 /nfs/dbraw/zinc/48/96/10/820489610.db2.gz LJJQYJQXCGMCHA-UHFFFAOYSA-N 1 1 398.536 4.097 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)C1 ZINC000177527040 823482636 /nfs/dbraw/zinc/48/26/36/823482636.db2.gz RIDOBLSJXXQAKE-SFHVURJKSA-N 1 1 382.508 4.296 20 0 GIADMO CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123246339 823484719 /nfs/dbraw/zinc/48/47/19/823484719.db2.gz YKLZHYQSOZORMD-IIBYNOLFSA-N 1 1 377.492 4.429 20 0 GIADMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Br)c(Cl)c3)CC[C@@H]2N1C1CC1 ZINC000189737408 823484842 /nfs/dbraw/zinc/48/48/42/823484842.db2.gz CICHKHIMBVZNPI-DYVFJYSZSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Br)c(Cl)c3)CC[C@@H]2N1C1CC1 ZINC000189737408 823484848 /nfs/dbraw/zinc/48/48/48/823484848.db2.gz CICHKHIMBVZNPI-DYVFJYSZSA-N 1 1 397.744 4.078 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(N2CCCCCC2)nc1 ZINC000029758467 820511202 /nfs/dbraw/zinc/51/12/02/820511202.db2.gz XUJXWKPPGWKYOZ-FQEVSTJZSA-N 1 1 396.535 4.012 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1 ZINC000177537837 823485530 /nfs/dbraw/zinc/48/55/30/823485530.db2.gz UMPKGWIPLZKUJJ-OAHLLOKOSA-N 1 1 390.578 4.408 20 0 GIADMO COc1ccc2c(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)cc(=O)oc2c1 ZINC000029825313 820524751 /nfs/dbraw/zinc/52/47/51/820524751.db2.gz RRNMCDRPLQOLCG-OAHLLOKOSA-N 1 1 390.439 4.322 20 0 GIADMO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825403 820524868 /nfs/dbraw/zinc/52/48/68/820524868.db2.gz RAVVSTGTZCLEBG-JKSUJKDBSA-N 1 1 379.460 4.043 20 0 GIADMO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825403 820524875 /nfs/dbraw/zinc/52/48/75/820524875.db2.gz RAVVSTGTZCLEBG-JKSUJKDBSA-N 1 1 379.460 4.043 20 0 GIADMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000189745385 823486255 /nfs/dbraw/zinc/48/62/55/823486255.db2.gz LYHWMRMTEFVBJM-DEOSSOPVSA-N 1 1 380.532 4.086 20 0 GIADMO CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029827466 820526766 /nfs/dbraw/zinc/52/67/66/820526766.db2.gz PWUHONDYRDCIAM-DLBZAZTESA-N 1 1 393.487 4.433 20 0 GIADMO O=c1[nH]c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc2ccc(Cl)cc12 ZINC000029827562 820526932 /nfs/dbraw/zinc/52/69/32/820526932.db2.gz AVKLPKUUUJVZGD-CYBMUJFWSA-N 1 1 394.862 4.097 20 0 GIADMO O=c1[nH]c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc2ccc(Cl)cc12 ZINC000029827562 820526941 /nfs/dbraw/zinc/52/69/41/820526941.db2.gz AVKLPKUUUJVZGD-CYBMUJFWSA-N 1 1 394.862 4.097 20 0 GIADMO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029840744 820530045 /nfs/dbraw/zinc/53/00/45/820530045.db2.gz XXFYMNXVEXUSFN-INIZCTEOSA-N 1 1 388.964 4.385 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)ccc1OC(C)C ZINC000573381442 823486681 /nfs/dbraw/zinc/48/66/81/823486681.db2.gz GCFYINWJUJVZAP-IBGZPJMESA-N 1 1 379.504 4.497 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCCOc1ccccc1 ZINC000029855259 820533418 /nfs/dbraw/zinc/53/34/18/820533418.db2.gz PIXRONNIEKUUIG-OAHLLOKOSA-N 1 1 391.309 4.177 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000177544506 823487192 /nfs/dbraw/zinc/48/71/92/823487192.db2.gz LNVAGCJVWKHDRL-GOSISDBHSA-N 1 1 384.549 4.179 20 0 GIADMO Cc1c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)sc2cccc(F)c12 ZINC000029882274 820539165 /nfs/dbraw/zinc/53/91/65/820539165.db2.gz MIZLJVBKJQXQKE-UHFFFAOYSA-N 1 1 398.503 4.111 20 0 GIADMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000177554768 823489774 /nfs/dbraw/zinc/48/97/74/823489774.db2.gz YGUMAVBRRQMICC-UTKZUKDTSA-N 1 1 391.540 4.451 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@@H]1c1ccccc1 ZINC000189750181 823487540 /nfs/dbraw/zinc/48/75/40/823487540.db2.gz YFGLAOJFGZBDRJ-WBVHZDCISA-N 1 1 385.418 4.067 20 0 GIADMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@H]1c1ccccc1 ZINC000189750181 823487543 /nfs/dbraw/zinc/48/75/43/823487543.db2.gz YFGLAOJFGZBDRJ-WBVHZDCISA-N 1 1 385.418 4.067 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@H]1c1ccccc1 ZINC000189750181 823487545 /nfs/dbraw/zinc/48/75/45/823487545.db2.gz YFGLAOJFGZBDRJ-WBVHZDCISA-N 1 1 385.418 4.067 20 0 GIADMO CCc1ccc(C(=O)CCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000029938930 820551381 /nfs/dbraw/zinc/55/13/81/820551381.db2.gz HGOOAFSGJASIGO-HXUWFJFHSA-N 1 1 382.504 4.148 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)cs1 ZINC000177549105 823488541 /nfs/dbraw/zinc/48/85/41/823488541.db2.gz FPDXHEIYUMLUAC-NRFANRHFSA-N 1 1 393.556 4.285 20 0 GIADMO CC(C)CC(=O)Nc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1F ZINC000460706975 823489009 /nfs/dbraw/zinc/48/90/09/823489009.db2.gz CHSWWKRFUWVMHV-QGZVFWFLSA-N 1 1 391.531 4.052 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H]3c3ccc(C)cc3)cc(=O)oc2c1 ZINC000030003387 820566150 /nfs/dbraw/zinc/56/61/50/820566150.db2.gz HELXYIIRWXBFRQ-NRFANRHFSA-N 1 1 376.456 4.397 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)c(OC)c1 ZINC000030007450 820567475 /nfs/dbraw/zinc/56/74/75/820567475.db2.gz DUUMMFHBAYQJNR-INIZCTEOSA-N 1 1 383.492 4.133 20 0 GIADMO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(Br)cc2Cl)cc1 ZINC000060876523 823563994 /nfs/dbraw/zinc/56/39/94/823563994.db2.gz YSKYMKNDADDWGF-UHFFFAOYSA-N 1 1 381.701 4.094 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Br)cc2Cl)cc1 ZINC000060876523 823563996 /nfs/dbraw/zinc/56/39/96/823563996.db2.gz YSKYMKNDADDWGF-UHFFFAOYSA-N 1 1 381.701 4.094 20 0 GIADMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030269786 820593156 /nfs/dbraw/zinc/59/31/56/820593156.db2.gz IETUSHRTWUYEDX-MSOLQXFVSA-N 1 1 381.520 4.237 20 0 GIADMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000030269617 820593190 /nfs/dbraw/zinc/59/31/90/820593190.db2.gz YWVUQSCWPBGAFV-KRWDZBQOSA-N 1 1 397.519 4.397 20 0 GIADMO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189768178 823490958 /nfs/dbraw/zinc/49/09/58/823490958.db2.gz YGWWVVDALHMELC-LXGCGDOSSA-N 1 1 398.894 4.198 20 0 GIADMO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189768178 823490962 /nfs/dbraw/zinc/49/09/62/823490962.db2.gz YGWWVVDALHMELC-LXGCGDOSSA-N 1 1 398.894 4.198 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCSc4ccccc43)cc2)CC1 ZINC000460710929 823491048 /nfs/dbraw/zinc/49/10/48/823491048.db2.gz VINJJRTYYPARQR-OAQYLSRUSA-N 1 1 395.572 4.042 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCSc4ccccc43)cc2)CC1 ZINC000460710928 823491053 /nfs/dbraw/zinc/49/10/53/823491053.db2.gz VINJJRTYYPARQR-NRFANRHFSA-N 1 1 395.572 4.042 20 0 GIADMO CC[NH+](CC)[C@H](CNS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccsc1 ZINC000030435629 820616697 /nfs/dbraw/zinc/61/66/97/820616697.db2.gz UPAAVCCVDDIUCT-NCUBBLFSSA-N 1 1 398.981 4.375 20 0 GIADMO Clc1ccccc1-c1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)no1 ZINC000573429801 823492269 /nfs/dbraw/zinc/49/22/69/823492269.db2.gz BFWKJOQPGREFKQ-OAHLLOKOSA-N 1 1 376.884 4.013 20 0 GIADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000460714740 823492741 /nfs/dbraw/zinc/49/27/41/823492741.db2.gz DNXDGXOMUAQJHH-FQEVSTJZSA-N 1 1 377.463 4.215 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123297787 823492768 /nfs/dbraw/zinc/49/27/68/823492768.db2.gz GKQHARIOMWJKOZ-CYBMUJFWSA-N 1 1 382.430 4.077 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)nn(C)c1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123297787 823492771 /nfs/dbraw/zinc/49/27/71/823492771.db2.gz GKQHARIOMWJKOZ-CYBMUJFWSA-N 1 1 382.430 4.077 20 0 GIADMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000123303307 823493491 /nfs/dbraw/zinc/49/34/91/823493491.db2.gz VUOLZXWWCIUZOZ-ZSZQSSIHSA-N 1 1 393.478 4.007 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(CNC[C@@H](CC(C)C)[NH+](C)C)c2)cc1 ZINC000030663780 820661662 /nfs/dbraw/zinc/66/16/62/820661662.db2.gz XEVAVKNEQPHLJH-OAQYLSRUSA-N 1 1 383.536 4.013 20 0 GIADMO CCn1c2ccccc2c2cc(C[NH2+]C[C@H](C(C)C)N3CCN(C)CC3)ccc21 ZINC000030665076 820661724 /nfs/dbraw/zinc/66/17/24/820661724.db2.gz SRMVMNPOMONBOT-RUZDIDTESA-N 1 1 392.591 4.176 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c[nH]c(=O)c3ccccc23)cc1 ZINC000189796475 823496273 /nfs/dbraw/zinc/49/62/73/823496273.db2.gz FGIXUYIHSLLLTL-INIZCTEOSA-N 1 1 375.472 4.155 20 0 GIADMO Fc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(Br)c1 ZINC000177587358 823496937 /nfs/dbraw/zinc/49/69/37/823496937.db2.gz FVGNIPWGYKCKHE-KRWDZBQOSA-N 1 1 386.305 4.138 20 0 GIADMO Brc1ccccc1-c1nnc(C[N@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000030824642 820688309 /nfs/dbraw/zinc/68/83/09/820688309.db2.gz YEHBDYITIQXYEA-HNNXBMFYSA-N 1 1 384.277 4.489 20 0 GIADMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177593461 823497857 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CCOc1c(Br)cc(CNCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029087 823574196 /nfs/dbraw/zinc/57/41/96/823574196.db2.gz VDPWUWUSBMIWDH-HNNXBMFYSA-N 1 1 399.373 4.211 20 0 GIADMO CC[NH+]1CCN(C[C@@H](C)CNc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000060380179 823521750 /nfs/dbraw/zinc/52/17/50/823521750.db2.gz NCJXMQBWCJQRCH-KRWDZBQOSA-N 1 1 395.576 4.044 20 0 GIADMO CCCCOc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000060394770 823523392 /nfs/dbraw/zinc/52/33/92/823523392.db2.gz TUPPKWWRMBNDBS-UHFFFAOYSA-N 1 1 376.541 4.067 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N3CCC(C[N@H+](C)C(C)C)CC3)o2)cc1 ZINC000060394855 823523432 /nfs/dbraw/zinc/52/34/32/823523432.db2.gz QNZDSPHJAFIJIW-UHFFFAOYSA-N 1 1 383.536 4.161 20 0 GIADMO O=C(C[NH+]1CCC(c2noc3cc(F)ccc32)CC1)N1CCCc2ccccc21 ZINC000034516643 821061775 /nfs/dbraw/zinc/06/17/75/821061775.db2.gz BWWFIIWHYBWUSK-UHFFFAOYSA-N 1 1 393.462 4.126 20 0 GIADMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1OC ZINC000036031021 821067741 /nfs/dbraw/zinc/06/77/41/821067741.db2.gz PRCODCVHHPTYAF-QFIPXVFZSA-N 1 1 377.484 4.440 20 0 GIADMO CCOC1CC(CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000190004108 823524601 /nfs/dbraw/zinc/52/46/01/823524601.db2.gz RVEONSLGGIZWSI-FLPIEVNYSA-N 1 1 387.568 4.065 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000036811850 821085671 /nfs/dbraw/zinc/08/56/71/821085671.db2.gz VLVQDHPVHFBEMC-SFHVURJKSA-N 1 1 379.460 4.200 20 0 GIADMO CCN(C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000460834321 823525076 /nfs/dbraw/zinc/52/50/76/823525076.db2.gz AHAAMMXVQCNZHO-REWPJTCUSA-N 1 1 387.568 4.030 20 0 GIADMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037127831 821090157 /nfs/dbraw/zinc/09/01/57/821090157.db2.gz YWEWEQKQQWHTNN-GJZGRUSLSA-N 1 1 382.489 4.210 20 0 GIADMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037127831 821090166 /nfs/dbraw/zinc/09/01/66/821090166.db2.gz YWEWEQKQQWHTNN-GJZGRUSLSA-N 1 1 382.489 4.210 20 0 GIADMO CC(C)[C@H](CC(F)(F)F)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460835614 823525463 /nfs/dbraw/zinc/52/54/63/823525463.db2.gz LPBBGKRPOOZYIG-FHWLQOOXSA-N 1 1 397.485 4.127 20 0 GIADMO CC[NH+]1CCN(C(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000038374828 821096014 /nfs/dbraw/zinc/09/60/14/821096014.db2.gz PIOOIESRLPWHLV-UHFFFAOYSA-N 1 1 397.469 4.210 20 0 GIADMO CC(C)[C@H](CC(F)(F)F)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460835617 823525656 /nfs/dbraw/zinc/52/56/56/823525656.db2.gz LPBBGKRPOOZYIG-QYZOEREBSA-N 1 1 397.485 4.127 20 0 GIADMO CCc1ccccc1C(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000123618636 823526388 /nfs/dbraw/zinc/52/63/88/823526388.db2.gz WGVHOPZXNJLXQC-UHFFFAOYSA-N 1 1 395.547 4.006 20 0 GIADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccco2)on1 ZINC000039549501 821112805 /nfs/dbraw/zinc/11/28/05/821112805.db2.gz KTICHFVMHVVYDD-QGZVFWFLSA-N 1 1 385.851 4.155 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000039563878 821116052 /nfs/dbraw/zinc/11/60/52/821116052.db2.gz IXITZFATGSHAQQ-UHFFFAOYSA-N 1 1 383.561 4.425 20 0 GIADMO O=C(NCc1ccc(C(F)F)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460880740 823535319 /nfs/dbraw/zinc/53/53/19/823535319.db2.gz INSISWHAUSJKJZ-SFTDATJTSA-N 1 1 399.485 4.288 20 0 GIADMO c1csc(C[NH+]2CCN(Cc3csc(COc4ccccc4)n3)CC2)c1 ZINC000060465238 823531191 /nfs/dbraw/zinc/53/11/91/823531191.db2.gz KJMBDHUTWWDDNS-UHFFFAOYSA-N 1 1 385.558 4.101 20 0 GIADMO O[C@@H](CN1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1C(F)(F)F ZINC000060468632 823531492 /nfs/dbraw/zinc/53/14/92/823531492.db2.gz GFDKKEDMWZMBRY-FQEVSTJZSA-N 1 1 384.486 4.327 20 0 GIADMO Cc1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(-c2ccccc2)s1 ZINC000040326374 821158273 /nfs/dbraw/zinc/15/82/73/821158273.db2.gz NOWCFHQJWDFOOU-UHFFFAOYSA-N 1 1 377.513 4.077 20 0 GIADMO CC1CCC(N(C)C(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000060483259 823533104 /nfs/dbraw/zinc/53/31/04/823533104.db2.gz RFMMDSZADITVJE-UHFFFAOYSA-N 1 1 390.955 4.272 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000177842797 823534861 /nfs/dbraw/zinc/53/48/61/823534861.db2.gz HMGDJWWDIJDHTM-NWDGAFQWSA-N 1 1 376.303 4.177 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000041791852 821230788 /nfs/dbraw/zinc/23/07/88/821230788.db2.gz NVJQMNXMTMLWSV-SFHVURJKSA-N 1 1 375.472 4.223 20 0 GIADMO CC[NH+](CC)Cc1ccc(C(=O)N=c2ccccn2Cc2ccc(C)cc2)o1 ZINC000041835348 821235565 /nfs/dbraw/zinc/23/55/65/821235565.db2.gz BXVZDGMFWIGUPU-UHFFFAOYSA-N 1 1 377.488 4.021 20 0 GIADMO O=C(c1ccc(SC(F)F)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000041901945 821244514 /nfs/dbraw/zinc/24/45/14/821244514.db2.gz APSPYFGHMQFUAM-UHFFFAOYSA-N 1 1 376.472 4.349 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1 ZINC000123765527 823538796 /nfs/dbraw/zinc/53/87/96/823538796.db2.gz UYLNRSJAEQTQLF-UHFFFAOYSA-N 1 1 393.447 4.399 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000177885904 823541245 /nfs/dbraw/zinc/54/12/45/823541245.db2.gz ROHVHBLOJSDMHL-HZPDHXFCSA-N 1 1 385.474 4.182 20 0 GIADMO Cc1ccc(C2=CC[N@@H+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)cc1 ZINC000042122492 821269703 /nfs/dbraw/zinc/26/97/03/821269703.db2.gz XMYBBEMTJOMHLE-NRFANRHFSA-N 1 1 394.478 4.321 20 0 GIADMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000042122749 821270001 /nfs/dbraw/zinc/27/00/01/821270001.db2.gz RARWSZDEZPQPNJ-AZUAARDMSA-N 1 1 386.430 4.200 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000060545155 823540603 /nfs/dbraw/zinc/54/06/03/823540603.db2.gz RIRZEQBJTBULLK-UHFFFAOYSA-N 1 1 395.547 4.281 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)C3(c4cccc(Cl)c4)CCC3)cc2)CC1 ZINC000060547322 823540775 /nfs/dbraw/zinc/54/07/75/823540775.db2.gz QOSWPYRXXPWEKX-UHFFFAOYSA-N 1 1 397.950 4.148 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000042207718 821284538 /nfs/dbraw/zinc/28/45/38/821284538.db2.gz BNZCLUVFXRWJJI-UHFFFAOYSA-N 1 1 395.938 4.178 20 0 GIADMO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229132 821288264 /nfs/dbraw/zinc/28/82/64/821288264.db2.gz HUNLJWIYABIBGY-INIZCTEOSA-N 1 1 393.362 4.121 20 0 GIADMO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229141 821288956 /nfs/dbraw/zinc/28/89/56/821288956.db2.gz SVFKRPAXDZDYHY-CQSZACIVSA-N 1 1 379.335 4.061 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000042298914 821296956 /nfs/dbraw/zinc/29/69/56/821296956.db2.gz FIDIFDVHSGWDGS-QGZVFWFLSA-N 1 1 380.467 4.087 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000042298914 821296962 /nfs/dbraw/zinc/29/69/62/821296962.db2.gz FIDIFDVHSGWDGS-QGZVFWFLSA-N 1 1 380.467 4.087 20 0 GIADMO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)Cc1cccc(Cl)c1 ZINC000042332420 821301833 /nfs/dbraw/zinc/30/18/33/821301833.db2.gz XMIGBSIMMHODNW-QMMMGPOBSA-N 1 1 392.755 4.495 20 0 GIADMO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042332420 821301842 /nfs/dbraw/zinc/30/18/42/821301842.db2.gz XMIGBSIMMHODNW-QMMMGPOBSA-N 1 1 392.755 4.495 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)CCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123795934 823541530 /nfs/dbraw/zinc/54/15/30/823541530.db2.gz LGXSIVWTACHMMO-IERDGZPVSA-N 1 1 392.877 4.360 20 0 GIADMO CC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)Cc1ccc(OC)c(OC)c1 ZINC000042760211 821331795 /nfs/dbraw/zinc/33/17/95/821331795.db2.gz RXVULWSFAXFKRP-UHFFFAOYSA-N 1 1 382.460 4.390 20 0 GIADMO CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)Cc1ccc(OC)c(OC)c1 ZINC000042760211 821331802 /nfs/dbraw/zinc/33/18/02/821331802.db2.gz RXVULWSFAXFKRP-UHFFFAOYSA-N 1 1 382.460 4.390 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccccc1Br)[N@@H+]1CCc2sccc2C1 ZINC000043132592 821364768 /nfs/dbraw/zinc/36/47/68/821364768.db2.gz XUGCWKHBFHZTHQ-LBPRGKRZSA-N 1 1 394.338 4.079 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccccc1Br)[N@H+]1CCc2sccc2C1 ZINC000043132592 821364774 /nfs/dbraw/zinc/36/47/74/821364774.db2.gz XUGCWKHBFHZTHQ-LBPRGKRZSA-N 1 1 394.338 4.079 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nncn4C(C)C)C3)cs2)c1 ZINC000180628073 821374306 /nfs/dbraw/zinc/37/43/06/821374306.db2.gz XCPLKBODPWVJAC-QGZVFWFLSA-N 1 1 397.548 4.371 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4nncn4C(C)C)C3)cs2)c1 ZINC000180628073 821374316 /nfs/dbraw/zinc/37/43/16/821374316.db2.gz XCPLKBODPWVJAC-QGZVFWFLSA-N 1 1 397.548 4.371 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000180629945 821375152 /nfs/dbraw/zinc/37/51/52/821375152.db2.gz MBRVTXYDOYCLEN-AWEZNQCLSA-N 1 1 383.323 4.424 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1nc2sc(C)c(C)c2c(N)n1)c1ccc2c(c1)OCCO2 ZINC000180649479 821382517 /nfs/dbraw/zinc/38/25/17/821382517.db2.gz JTFHFHXCHWOLMY-IUODEOHRSA-N 1 1 398.532 4.463 20 0 GIADMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000180652421 821383362 /nfs/dbraw/zinc/38/33/62/821383362.db2.gz XLGGTNSVHCYFEO-REWPJTCUSA-N 1 1 391.515 4.041 20 0 GIADMO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H](C)c2ccc(F)cc2Cl)C1 ZINC000180654579 821384080 /nfs/dbraw/zinc/38/40/80/821384080.db2.gz OUGYCOYEMXSNAP-CYBMUJFWSA-N 1 1 399.890 4.182 20 0 GIADMO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000180657634 821385086 /nfs/dbraw/zinc/38/50/86/821385086.db2.gz NQWPPCMFRZPJJZ-UHFFFAOYSA-N 1 1 379.455 4.086 20 0 GIADMO CCc1ccc([C@H]([NH2+][C@@H](C)c2c[nH]nc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180662726 821387024 /nfs/dbraw/zinc/38/70/24/821387024.db2.gz HZSPZMXUKOEPTI-NYHFZMIOSA-N 1 1 397.544 4.124 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000043296085 821388097 /nfs/dbraw/zinc/38/80/97/821388097.db2.gz WTEUQVOSXSIDAX-MZKRTTBSSA-N 1 1 394.563 4.228 20 0 GIADMO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H](O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000180692891 821398480 /nfs/dbraw/zinc/39/84/80/821398480.db2.gz YGVWLACSDDSABY-YSGRDPCXSA-N 1 1 384.486 4.372 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Br)cc1Cl)c1ccco1 ZINC000043420519 821406537 /nfs/dbraw/zinc/40/65/37/821406537.db2.gz AJVWJFQSOGOTQG-CYBMUJFWSA-N 1 1 386.677 4.120 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180707477 821408162 /nfs/dbraw/zinc/40/81/62/821408162.db2.gz CUHXCKVHRHRRRP-GOSISDBHSA-N 1 1 394.441 4.393 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1nc2c(s1)CCCC2 ZINC000180724841 821418930 /nfs/dbraw/zinc/41/89/30/821418930.db2.gz AEXXSHFLIOHZPX-DOMZBBRYSA-N 1 1 375.925 4.131 20 0 GIADMO COc1cc(OC)c([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)cc1Cl ZINC000180737574 821425728 /nfs/dbraw/zinc/42/57/28/821425728.db2.gz NFDNPVUWNPAIIG-INIZCTEOSA-N 1 1 396.959 4.043 20 0 GIADMO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000180737206 821425743 /nfs/dbraw/zinc/42/57/43/821425743.db2.gz OVIMWGATHHCCGQ-KRWDZBQOSA-N 1 1 382.495 4.282 20 0 GIADMO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000180746816 821430990 /nfs/dbraw/zinc/43/09/90/821430990.db2.gz YWOJFXXBLPRAKQ-GOSISDBHSA-N 1 1 398.528 4.180 20 0 GIADMO Cc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000180746816 821430995 /nfs/dbraw/zinc/43/09/95/821430995.db2.gz YWOJFXXBLPRAKQ-GOSISDBHSA-N 1 1 398.528 4.180 20 0 GIADMO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000043802787 821460967 /nfs/dbraw/zinc/46/09/67/821460967.db2.gz MNTRKVWRPCRWGM-DYESRHJHSA-N 1 1 378.472 4.133 20 0 GIADMO CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000180796326 821463448 /nfs/dbraw/zinc/46/34/48/821463448.db2.gz CBUQVRDDSCGJDU-CYBMUJFWSA-N 1 1 387.475 4.042 20 0 GIADMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180798939 821464715 /nfs/dbraw/zinc/46/47/15/821464715.db2.gz BSBPJXTXEOEJHK-AWEZNQCLSA-N 1 1 379.386 4.031 20 0 GIADMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(C)c(OCc4ccccn4)c(C)c3)[C@H]2C1 ZINC000180812760 821473779 /nfs/dbraw/zinc/47/37/79/821473779.db2.gz JVHGLGHHSCIXHS-XPWALMASSA-N 1 1 396.531 4.046 20 0 GIADMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000180822830 821481571 /nfs/dbraw/zinc/48/15/71/821481571.db2.gz RIOWFOCRSPEAEF-OAHLLOKOSA-N 1 1 391.309 4.009 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180864729 821501769 /nfs/dbraw/zinc/50/17/69/821501769.db2.gz TZZBSNYXJLRMML-KGLIPLIRSA-N 1 1 385.430 4.360 20 0 GIADMO FC(F)(F)c1ccc2oc(C[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)nc2c1 ZINC000180882968 821511190 /nfs/dbraw/zinc/51/11/90/821511190.db2.gz BPHJJPTVQPCJGA-LBPRGKRZSA-N 1 1 391.397 4.153 20 0 GIADMO CCOc1ccc(NC(=S)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000044229696 821551568 /nfs/dbraw/zinc/55/15/68/821551568.db2.gz UNRSTPAKGLVHFL-UHFFFAOYSA-N 1 1 384.549 4.036 20 0 GIADMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180992962 821580515 /nfs/dbraw/zinc/58/05/15/821580515.db2.gz VJIYBNJXHDLDRU-KBPBESRZSA-N 1 1 389.496 4.011 20 0 GIADMO CC(C)(CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000044487258 821592506 /nfs/dbraw/zinc/59/25/06/821592506.db2.gz OPMFFPGXSBSNLO-SJLPKXTDSA-N 1 1 382.470 4.308 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccc(NCc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000181015936 821594656 /nfs/dbraw/zinc/59/46/56/821594656.db2.gz GYFLPKCSKUDPSA-UHFFFAOYSA-N 1 1 389.499 4.223 20 0 GIADMO CC(C)(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1cccc(F)c1 ZINC000181070197 821617709 /nfs/dbraw/zinc/61/77/09/821617709.db2.gz SZPUXDYUSSWHCS-LJQANCHMSA-N 1 1 394.512 4.080 20 0 GIADMO C[C@@H](N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686286 821644416 /nfs/dbraw/zinc/64/44/16/821644416.db2.gz VRQWCKPDNBRCNY-PWSUYJOCSA-N 1 1 388.147 4.099 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686286 821644421 /nfs/dbraw/zinc/64/44/21/821644421.db2.gz VRQWCKPDNBRCNY-PWSUYJOCSA-N 1 1 388.147 4.099 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181119332 821644717 /nfs/dbraw/zinc/64/47/17/821644717.db2.gz CCGLQXDZGFTJGW-OAHLLOKOSA-N 1 1 389.406 4.052 20 0 GIADMO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181125008 821648304 /nfs/dbraw/zinc/64/83/04/821648304.db2.gz PCXWYAUYXYVMOS-UHFFFAOYSA-N 1 1 379.455 4.278 20 0 GIADMO CC(=O)Nc1ccc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044755991 821654288 /nfs/dbraw/zinc/65/42/88/821654288.db2.gz DTPZEHATOGYGQF-HDICACEKSA-N 1 1 393.531 4.053 20 0 GIADMO COC(=O)c1occc1C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181138661 821657316 /nfs/dbraw/zinc/65/73/16/821657316.db2.gz GCWRCNHGVFTASD-HXUWFJFHSA-N 1 1 383.419 4.288 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)on1 ZINC000181139379 821658205 /nfs/dbraw/zinc/65/82/05/821658205.db2.gz PMADYTVVJZHRKM-IBGZPJMESA-N 1 1 392.377 4.003 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)on1 ZINC000181139379 821658211 /nfs/dbraw/zinc/65/82/11/821658211.db2.gz PMADYTVVJZHRKM-IBGZPJMESA-N 1 1 392.377 4.003 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2C)[NH2+]Cc2ncc(Cl)n2C)cc1OC ZINC000181140287 821658866 /nfs/dbraw/zinc/65/88/66/821658866.db2.gz OQSQAXHXNLNBLB-SFHVURJKSA-N 1 1 399.922 4.473 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)on1 ZINC000181150096 821665014 /nfs/dbraw/zinc/66/50/14/821665014.db2.gz AYQATQWXMOSFGU-GCJKJVERSA-N 1 1 391.515 4.420 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000044831116 821669369 /nfs/dbraw/zinc/66/93/69/821669369.db2.gz QUDPHKCBUXXBDX-UTKZUKDTSA-N 1 1 379.504 4.036 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cnn(C)c4C(F)(F)F)C3)nc2c1 ZINC000181163112 821672959 /nfs/dbraw/zinc/67/29/59/821672959.db2.gz XGDGOEKDFMELPY-CYBMUJFWSA-N 1 1 377.414 4.003 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4C(F)(F)F)C3)[nH]c2c1 ZINC000181163112 821672964 /nfs/dbraw/zinc/67/29/64/821672964.db2.gz XGDGOEKDFMELPY-CYBMUJFWSA-N 1 1 377.414 4.003 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4cnn(C)c4C(F)(F)F)C3)[nH]c2c1 ZINC000181163112 821672966 /nfs/dbraw/zinc/67/29/66/821672966.db2.gz XGDGOEKDFMELPY-CYBMUJFWSA-N 1 1 377.414 4.003 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)C1 ZINC000044877146 821675661 /nfs/dbraw/zinc/67/56/61/821675661.db2.gz GPHNJVIXPOGVAT-QGZVFWFLSA-N 1 1 386.923 4.267 20 0 GIADMO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044878886 821676156 /nfs/dbraw/zinc/67/61/56/821676156.db2.gz KJEYECJFUBEGRD-ZWKOTPCHSA-N 1 1 384.495 4.141 20 0 GIADMO COc1ccc(SCC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044879438 821676289 /nfs/dbraw/zinc/67/62/89/821676289.db2.gz DHMFIDWQCCOWNK-SFHVURJKSA-N 1 1 398.572 4.336 20 0 GIADMO O=C(NCCSCc1ccccc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044908995 821679746 /nfs/dbraw/zinc/67/97/46/821679746.db2.gz AIJOYVYSOGPHKO-IBGZPJMESA-N 1 1 386.536 4.087 20 0 GIADMO Cn1c2ccccc2c(Cl)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000044979150 821684970 /nfs/dbraw/zinc/68/49/70/821684970.db2.gz UFGNJPZVQFKVEI-KRWDZBQOSA-N 1 1 385.895 4.382 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181187460 821684936 /nfs/dbraw/zinc/68/49/36/821684936.db2.gz NBYNLVUGTVPEDG-UWJYYQICSA-N 1 1 393.487 4.393 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(Cl)c1F ZINC000181193360 821688445 /nfs/dbraw/zinc/68/84/45/821688445.db2.gz JQJCICGZEKRTQR-GFCCVEGCSA-N 1 1 384.879 4.322 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000181211161 821699116 /nfs/dbraw/zinc/69/91/16/821699116.db2.gz YGSQZAKWZXPVPC-KBPBESRZSA-N 1 1 396.915 4.431 20 0 GIADMO COc1ccc(-c2noc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181226124 821705810 /nfs/dbraw/zinc/70/58/10/821705810.db2.gz YEAIKDRDAWLQHS-UZLBHIALSA-N 1 1 379.460 4.003 20 0 GIADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccc(Cl)n2)cc1 ZINC000181232772 821709662 /nfs/dbraw/zinc/70/96/62/821709662.db2.gz GEGZSBFEVWEXBD-UHFFFAOYSA-N 1 1 384.911 4.423 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H](C)c2cnn(C)c2C)on1 ZINC000181298396 821742843 /nfs/dbraw/zinc/74/28/43/821742843.db2.gz RHNULXAIDPXWII-CQSZACIVSA-N 1 1 376.460 4.396 20 0 GIADMO CCCc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1 ZINC000181318675 821756011 /nfs/dbraw/zinc/75/60/11/821756011.db2.gz YDHRMNUZRDPWJM-RBUKOAKNSA-N 1 1 394.563 4.208 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1cccc(N2CCOC2=O)c1 ZINC000181319524 821756636 /nfs/dbraw/zinc/75/66/36/821756636.db2.gz ZLXLDMUGONTPJJ-ZDUSSCGKSA-N 1 1 399.397 4.427 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000181323547 821758830 /nfs/dbraw/zinc/75/88/30/821758830.db2.gz WGWMGOOQOSRODN-MSOLQXFVSA-N 1 1 392.503 4.222 20 0 GIADMO C[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181346379 821776286 /nfs/dbraw/zinc/77/62/86/821776286.db2.gz PYURAJVYNXVRAW-HNNXBMFYSA-N 1 1 379.435 4.458 20 0 GIADMO COc1ccccc1[C@@H]([NH2+][C@H](C)CC(=O)N(C)c1ccccc1)c1ccco1 ZINC000181429939 821822665 /nfs/dbraw/zinc/82/26/65/821822665.db2.gz JMFSKZFUPVKKRX-UZUQRXQVSA-N 1 1 378.472 4.409 20 0 GIADMO COc1ccccc1[C@H]([NH2+][C@H](C)CC(=O)N(C)c1ccccc1)c1ccco1 ZINC000181429911 821823042 /nfs/dbraw/zinc/82/30/42/821823042.db2.gz JMFSKZFUPVKKRX-HXOBKFHXSA-N 1 1 378.472 4.409 20 0 GIADMO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1OC ZINC000181433271 821824875 /nfs/dbraw/zinc/82/48/75/821824875.db2.gz DYXOGXZPBMHRSF-HJPURHCSSA-N 1 1 394.471 4.393 20 0 GIADMO C(c1nnc(C2CC2)n1C1CC1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000181435695 821825856 /nfs/dbraw/zinc/82/58/56/821825856.db2.gz YSLDHOMWTLSUDQ-HNNXBMFYSA-N 1 1 383.565 4.205 20 0 GIADMO C(c1nnc(C2CC2)n1C1CC1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000181435695 821825866 /nfs/dbraw/zinc/82/58/66/821825866.db2.gz YSLDHOMWTLSUDQ-HNNXBMFYSA-N 1 1 383.565 4.205 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000181437140 821827120 /nfs/dbraw/zinc/82/71/20/821827120.db2.gz AKCINUHYJNQDGG-VQIMIIECSA-N 1 1 396.503 4.207 20 0 GIADMO C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)CCc1ccncc1 ZINC000181446376 821829967 /nfs/dbraw/zinc/82/99/67/821829967.db2.gz LKKVERVGNLAVSP-KRWDZBQOSA-N 1 1 395.503 4.015 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c(Br)c1 ZINC000181458805 821835318 /nfs/dbraw/zinc/83/53/18/821835318.db2.gz NZHSGCIHUWNIDF-AWEZNQCLSA-N 1 1 390.325 4.304 20 0 GIADMO COc1cc(OC)c([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)cc1Cl ZINC000181460005 821836655 /nfs/dbraw/zinc/83/66/55/821836655.db2.gz UZOXBPPAJUPEFU-ZDUSSCGKSA-N 1 1 377.868 4.369 20 0 GIADMO CCOc1c(Cl)cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181465310 821838624 /nfs/dbraw/zinc/83/86/24/821838624.db2.gz YSILJYOVRCGPFT-GJZGRUSLSA-N 1 1 394.943 4.130 20 0 GIADMO COc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OCC(C)C ZINC000181473959 821842198 /nfs/dbraw/zinc/84/21/98/821842198.db2.gz DGKCNVYLNFINCV-IEBWSBKVSA-N 1 1 388.552 4.113 20 0 GIADMO Cc1cc(Br)ccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181493351 821851501 /nfs/dbraw/zinc/85/15/01/821851501.db2.gz BGJIWRLUVCPQOT-LSDHHAIUSA-N 1 1 379.342 4.140 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+](C)CCc3ccncc3)n2)cc1 ZINC000181493197 821851675 /nfs/dbraw/zinc/85/16/75/821851675.db2.gz BJUAXHFXBPELDW-INIZCTEOSA-N 1 1 380.517 4.015 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+](C)CCc3ccncc3)n2)cc1 ZINC000181493197 821851684 /nfs/dbraw/zinc/85/16/84/821851684.db2.gz BJUAXHFXBPELDW-INIZCTEOSA-N 1 1 380.517 4.015 20 0 GIADMO COc1cc2c(cc1NC(=O)C[N@H+](C)CCc1ccncc1)oc1ccccc12 ZINC000181493319 821851709 /nfs/dbraw/zinc/85/17/09/821851709.db2.gz OBJLYJQADVIAGJ-UHFFFAOYSA-N 1 1 389.455 4.103 20 0 GIADMO COc1cc2c(cc1NC(=O)C[N@@H+](C)CCc1ccncc1)oc1ccccc12 ZINC000181493319 821851722 /nfs/dbraw/zinc/85/17/22/821851722.db2.gz OBJLYJQADVIAGJ-UHFFFAOYSA-N 1 1 389.455 4.103 20 0 GIADMO Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC000181517812 821863629 /nfs/dbraw/zinc/86/36/29/821863629.db2.gz BIEWLFDADBNECH-ZBFHGGJFSA-N 1 1 384.524 4.037 20 0 GIADMO O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000181521957 821865201 /nfs/dbraw/zinc/86/52/01/821865201.db2.gz HHLCGFWOFLOMQE-OAQYLSRUSA-N 1 1 377.488 4.075 20 0 GIADMO C[C@H](NC(=O)CCc1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181521685 821865317 /nfs/dbraw/zinc/86/53/17/821865317.db2.gz SGXGIRHGDMJHQW-DOTOQJQBSA-N 1 1 393.369 4.151 20 0 GIADMO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H](C)[C@H](C)c3ccccc3)s2)cc1 ZINC000181522727 821866053 /nfs/dbraw/zinc/86/60/53/821866053.db2.gz JVUNYKZZYWFVRW-LSDHHAIUSA-N 1 1 396.516 4.081 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)s2)o1 ZINC000181528658 821867212 /nfs/dbraw/zinc/86/72/12/821867212.db2.gz HSMIOPLQHKWEDM-GOEBONIOSA-N 1 1 387.549 4.403 20 0 GIADMO CCCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181533422 821870748 /nfs/dbraw/zinc/87/07/48/821870748.db2.gz HASVANKQLLYCNR-PKOBYXMFSA-N 1 1 388.552 4.257 20 0 GIADMO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000181549077 821877073 /nfs/dbraw/zinc/87/70/73/821877073.db2.gz POAICJKSLKQRQO-UYAOXDASSA-N 1 1 394.563 4.180 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2ccc(Oc3cccc(F)c3)c3ccncc23)CC1 ZINC000181587023 821891654 /nfs/dbraw/zinc/89/16/54/821891654.db2.gz PUIYUHWLQIDFBJ-UHFFFAOYSA-N 1 1 394.450 4.336 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)n1 ZINC000181591772 821894192 /nfs/dbraw/zinc/89/41/92/821894192.db2.gz YCYBTMSCCWMWCF-OAHLLOKOSA-N 1 1 385.411 4.030 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000181619526 821906067 /nfs/dbraw/zinc/90/60/67/821906067.db2.gz FGXXZJLGIKCJSC-HXUWFJFHSA-N 1 1 392.446 4.298 20 0 GIADMO C[C@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181633474 821914494 /nfs/dbraw/zinc/91/44/94/821914494.db2.gz CAFMFYLJBYEIOH-HKUYNNGSSA-N 1 1 392.547 4.133 20 0 GIADMO COc1cc(C[N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)ccc1SC ZINC000181664523 821931288 /nfs/dbraw/zinc/93/12/88/821931288.db2.gz RAYZAMOVYNDYIC-UHFFFAOYSA-N 1 1 378.582 4.134 20 0 GIADMO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1-c1ccccn1 ZINC000181663996 821931408 /nfs/dbraw/zinc/93/14/08/821931408.db2.gz UDQPHAGUARVMKM-RBUKOAKNSA-N 1 1 377.532 4.440 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000181686078 821943722 /nfs/dbraw/zinc/94/37/22/821943722.db2.gz YAFNQVSUURPVTC-UHFFFAOYSA-N 1 1 393.503 4.217 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1OC ZINC000181686186 821943840 /nfs/dbraw/zinc/94/38/40/821943840.db2.gz HQHAVBVWKLJOIR-CQSZACIVSA-N 1 1 382.485 4.456 20 0 GIADMO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698473 821948499 /nfs/dbraw/zinc/94/84/99/821948499.db2.gz DMHFFMGAJONNGC-UZLBHIALSA-N 1 1 392.971 4.387 20 0 GIADMO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698473 821948503 /nfs/dbraw/zinc/94/85/03/821948503.db2.gz DMHFFMGAJONNGC-UZLBHIALSA-N 1 1 392.971 4.387 20 0 GIADMO CC[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(C)cc1 ZINC000181708104 821953114 /nfs/dbraw/zinc/95/31/14/821953114.db2.gz SQCBXAMTZBXBPP-KRWDZBQOSA-N 1 1 375.398 4.230 20 0 GIADMO Cn1c(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)nnc1C1CCC1 ZINC000181716051 821958336 /nfs/dbraw/zinc/95/83/36/821958336.db2.gz YERTWGNTBFSSMW-FQEVSTJZSA-N 1 1 382.458 4.434 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181723397 821961280 /nfs/dbraw/zinc/96/12/80/821961280.db2.gz KETCDIOOGCJTAL-APPDUMDISA-N 1 1 387.332 4.443 20 0 GIADMO Fc1cccc(F)c1-c1csc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)n1 ZINC000181738797 821970200 /nfs/dbraw/zinc/97/02/00/821970200.db2.gz UGMHEUVJQGJGAV-HNNXBMFYSA-N 1 1 394.487 4.248 20 0 GIADMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000181764668 821982487 /nfs/dbraw/zinc/98/24/87/821982487.db2.gz IJKXJSWUMFOYHS-OAHLLOKOSA-N 1 1 393.441 4.495 20 0 GIADMO COc1cc(C)c([C@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1OC ZINC000181765767 821983748 /nfs/dbraw/zinc/98/37/48/821983748.db2.gz JWDWEVOUPLGKKC-AWEZNQCLSA-N 1 1 387.430 4.327 20 0 GIADMO C[C@@H]([NH2+]CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccn1 ZINC000181785678 821991169 /nfs/dbraw/zinc/99/11/69/821991169.db2.gz MLYSYPRDGVSEGO-WIYYLYMNSA-N 1 1 398.510 4.162 20 0 GIADMO CC(C)OC(=O)C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1 ZINC000181819055 822005192 /nfs/dbraw/zinc/00/51/92/822005192.db2.gz KEEIYFUWHXSVHQ-QGZVFWFLSA-N 1 1 385.895 4.399 20 0 GIADMO Cc1sc(NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c(C)c1C ZINC000181822797 822006799 /nfs/dbraw/zinc/00/67/99/822006799.db2.gz KJVNYYQDOCCBBG-GOSISDBHSA-N 1 1 388.533 4.284 20 0 GIADMO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1cccc(N2CCCC2)c1 ZINC000181861724 822019488 /nfs/dbraw/zinc/01/94/88/822019488.db2.gz CKWAIZZHLABSKE-INIZCTEOSA-N 1 1 381.911 4.372 20 0 GIADMO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccc(-n2cncn2)cc1 ZINC000181918467 822036632 /nfs/dbraw/zinc/03/66/32/822036632.db2.gz GRNAOPGTOQCBHL-LBPRGKRZSA-N 1 1 387.365 4.278 20 0 GIADMO CS(=O)(=O)Cc1nc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)cs1 ZINC000181941028 822041122 /nfs/dbraw/zinc/04/11/22/822041122.db2.gz DAUUOABRXGXTIO-GOSISDBHSA-N 1 1 378.563 4.099 20 0 GIADMO C[C@H](c1ccc(NC(=O)c2cc(Cl)cc(Cl)n2)cc1)[NH+]1CCOCC1 ZINC000181956477 822045365 /nfs/dbraw/zinc/04/53/65/822045365.db2.gz RDSTVTGFAPLEMT-GFCCVEGCSA-N 1 1 380.275 4.034 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000181982594 822052848 /nfs/dbraw/zinc/05/28/48/822052848.db2.gz JSBUJUWQKFVSDU-QRWLVFNGSA-N 1 1 388.458 4.378 20 0 GIADMO COc1cc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1N1CCCC1=O ZINC000181987658 822054038 /nfs/dbraw/zinc/05/40/38/822054038.db2.gz GPBDOQIABFNBSY-MRXNPFEDSA-N 1 1 390.487 4.489 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)[C@@H](C)c3cccs3)CC[N@H+]2C2CC2)c1 ZINC000181988172 822054609 /nfs/dbraw/zinc/05/46/09/822054609.db2.gz INYILYXGIZTJIF-PAXLWEDBSA-N 1 1 399.560 4.437 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2Br)cc1F ZINC000182003534 822059246 /nfs/dbraw/zinc/05/92/46/822059246.db2.gz SVHJBPPULCAIPQ-NSHDSACASA-N 1 1 398.272 4.465 20 0 GIADMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000182011679 822061847 /nfs/dbraw/zinc/06/18/47/822061847.db2.gz AAWXTTOZZZCNGM-NHCUHLMSSA-N 1 1 398.551 4.296 20 0 GIADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000182038602 822070108 /nfs/dbraw/zinc/07/01/08/822070108.db2.gz CZQPICXAUOCNPX-OAHLLOKOSA-N 1 1 397.450 4.048 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c(Br)c1 ZINC000182053182 822075613 /nfs/dbraw/zinc/07/56/13/822075613.db2.gz HPVVLUOWQRKKJM-VIFPVBQESA-N 1 1 392.219 4.061 20 0 GIADMO CCC[C@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000182058281 822077225 /nfs/dbraw/zinc/07/72/25/822077225.db2.gz TZHLOGGUOQDNFS-OALUTQOASA-N 1 1 399.560 4.121 20 0 GIADMO CCC[C@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC[N@H+]1Cc1ccccc1 ZINC000182058281 822077229 /nfs/dbraw/zinc/07/72/29/822077229.db2.gz TZHLOGGUOQDNFS-OALUTQOASA-N 1 1 399.560 4.121 20 0 GIADMO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000182073460 822082453 /nfs/dbraw/zinc/08/24/53/822082453.db2.gz IGEFGWMGSMJYRS-LBPRGKRZSA-N 1 1 380.330 4.167 20 0 GIADMO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000182073477 822082568 /nfs/dbraw/zinc/08/25/68/822082568.db2.gz IGEFGWMGSMJYRS-GFCCVEGCSA-N 1 1 380.330 4.167 20 0 GIADMO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000182074579 822082981 /nfs/dbraw/zinc/08/29/81/822082981.db2.gz PWQJKIGZWHAZGI-JTQLQIEISA-N 1 1 384.295 4.157 20 0 GIADMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182201446 822144677 /nfs/dbraw/zinc/14/46/77/822144677.db2.gz FGEQXQHGMRKOBO-OAHLLOKOSA-N 1 1 383.410 4.450 20 0 GIADMO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccccn3)n2)c(C)c1 ZINC000182203171 822145474 /nfs/dbraw/zinc/14/54/74/822145474.db2.gz OINXQNKRAVHOLX-INIZCTEOSA-N 1 1 380.517 4.420 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000182225313 822155644 /nfs/dbraw/zinc/15/56/44/822155644.db2.gz XCLPUOKQNHFZFQ-VQIMIIECSA-N 1 1 390.474 4.096 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000182225313 822155648 /nfs/dbraw/zinc/15/56/48/822155648.db2.gz XCLPUOKQNHFZFQ-VQIMIIECSA-N 1 1 390.474 4.096 20 0 GIADMO CCOc1cccc2cc([C@H](C)NC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)oc21 ZINC000182248386 822166632 /nfs/dbraw/zinc/16/66/32/822166632.db2.gz WZPUJMTUMWFTMF-JQHSSLGASA-N 1 1 385.508 4.018 20 0 GIADMO CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182266151 822178369 /nfs/dbraw/zinc/17/83/69/822178369.db2.gz JZZUFIPHWJMFEA-UZLBHIALSA-N 1 1 388.939 4.156 20 0 GIADMO CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182266151 822178372 /nfs/dbraw/zinc/17/83/72/822178372.db2.gz JZZUFIPHWJMFEA-UZLBHIALSA-N 1 1 388.939 4.156 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cs2)cc1OC ZINC000182278645 822183777 /nfs/dbraw/zinc/18/37/77/822183777.db2.gz MTIPYVZUMSTBHP-ZDUSSCGKSA-N 1 1 398.484 4.407 20 0 GIADMO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000182348325 822210082 /nfs/dbraw/zinc/21/00/82/822210082.db2.gz KZWWFKWAPKFRAC-GFCCVEGCSA-N 1 1 395.816 4.494 20 0 GIADMO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000182348344 822210351 /nfs/dbraw/zinc/21/03/51/822210351.db2.gz KZWWFKWAPKFRAC-LBPRGKRZSA-N 1 1 395.816 4.494 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](CCc3nccs3)C(C)C)co2)cc1 ZINC000182362913 822215826 /nfs/dbraw/zinc/21/58/26/822215826.db2.gz CAXNHSWHFVPIMV-UHFFFAOYSA-N 1 1 385.489 4.038 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182379114 822221637 /nfs/dbraw/zinc/22/16/37/822221637.db2.gz JGDXZVYZCSWPRV-QMTMVMCOSA-N 1 1 391.556 4.315 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCSc2ccc(F)cc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182379150 822221713 /nfs/dbraw/zinc/22/17/13/822221713.db2.gz JGDXZVYZCSWPRV-YZVOILCLSA-N 1 1 391.556 4.315 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182380121 822222103 /nfs/dbraw/zinc/22/21/03/822222103.db2.gz ZFFCVEYOPAWQDT-GOEBONIOSA-N 1 1 399.457 4.037 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182391541 822226633 /nfs/dbraw/zinc/22/66/33/822226633.db2.gz VEBKUUKNZKIDKI-HKUYNNGSSA-N 1 1 395.547 4.301 20 0 GIADMO COc1ccc([C@@H](CCO)[NH2+]Cc2csc(-c3cccc(OC)c3)n2)cc1 ZINC000182392058 822227040 /nfs/dbraw/zinc/22/70/40/822227040.db2.gz KMHRWZQLQVABPG-HXUWFJFHSA-N 1 1 384.501 4.041 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000182408327 822232962 /nfs/dbraw/zinc/23/29/62/822232962.db2.gz IQYQAOOGEKHYFL-FXAWDEMLSA-N 1 1 389.588 4.308 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000182409004 822233064 /nfs/dbraw/zinc/23/30/64/822233064.db2.gz JSPODVWOGYPBTA-FXAWDEMLSA-N 1 1 389.588 4.165 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)c1c(C)noc1C ZINC000182412219 822233362 /nfs/dbraw/zinc/23/33/62/822233362.db2.gz ZRYXBORVVXLERB-LEWJYISDSA-N 1 1 399.535 4.485 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1c(C)noc1C ZINC000182410551 822233634 /nfs/dbraw/zinc/23/36/34/822233634.db2.gz RGPVIXRVTQYQQB-HXUWFJFHSA-N 1 1 392.503 4.129 20 0 GIADMO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(C(F)(F)F)cc1 ZINC000182440918 822244020 /nfs/dbraw/zinc/24/40/20/822244020.db2.gz BCRWBWQOUJHDCY-JTQLQIEISA-N 1 1 393.434 4.343 20 0 GIADMO Cc1cnc([C@H](C)NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000177952325 822255329 /nfs/dbraw/zinc/25/53/29/822255329.db2.gz URAVMYAWQBTBGM-KSSFIOAISA-N 1 1 397.466 4.083 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000177952312 822255436 /nfs/dbraw/zinc/25/54/36/822255436.db2.gz URAVMYAWQBTBGM-KDOFPFPSSA-N 1 1 397.466 4.083 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1c(C)noc1C ZINC000182478726 822258736 /nfs/dbraw/zinc/25/87/36/822258736.db2.gz PBWTZHOINNROSZ-SFHVURJKSA-N 1 1 375.488 4.299 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4c(c3)C(=O)CCC4)cc2)C[C@H](C)O1 ZINC000177982916 822268559 /nfs/dbraw/zinc/26/85/59/822268559.db2.gz JLKYRHUIDHWZKG-IRXDYDNUSA-N 1 1 392.499 4.067 20 0 GIADMO CC(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000182499298 822269748 /nfs/dbraw/zinc/26/97/48/822269748.db2.gz UVVPHGBOUHYCLI-HIFRSBDPSA-N 1 1 377.916 4.317 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O)c1c(C)noc1C ZINC000182500483 822270074 /nfs/dbraw/zinc/27/00/74/822270074.db2.gz JINUZGBROQJDST-MLGOLLRUSA-N 1 1 383.448 4.308 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177990524 822272841 /nfs/dbraw/zinc/27/28/41/822272841.db2.gz XHCAWXPCZJQFNX-JTQLQIEISA-N 1 1 392.700 4.047 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000177995626 822275739 /nfs/dbraw/zinc/27/57/39/822275739.db2.gz CSVCJZQXQIUIGZ-MSOLQXFVSA-N 1 1 381.442 4.314 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000177995626 822275747 /nfs/dbraw/zinc/27/57/47/822275747.db2.gz CSVCJZQXQIUIGZ-MSOLQXFVSA-N 1 1 381.442 4.314 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C)[C@@H](C)C3CCCCC3)CC2)cs1 ZINC000177998222 822276193 /nfs/dbraw/zinc/27/61/93/822276193.db2.gz BWJREWGNFCPZKM-CVEARBPZSA-N 1 1 377.598 4.385 20 0 GIADMO Fc1ccccc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000177998816 822276754 /nfs/dbraw/zinc/27/67/54/822276754.db2.gz FYLNDDQATGQZRB-AWEZNQCLSA-N 1 1 378.373 4.267 20 0 GIADMO COc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cc1ccccc1 ZINC000178017430 822283832 /nfs/dbraw/zinc/28/38/32/822283832.db2.gz VGIHOBKHCZFALD-UGKGYDQZSA-N 1 1 393.531 4.234 20 0 GIADMO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1OCC ZINC000178043313 822296725 /nfs/dbraw/zinc/29/67/25/822296725.db2.gz DTKSREMUNXGROQ-IRXDYDNUSA-N 1 1 380.492 4.477 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)ccc1OC(F)F ZINC000178046567 822298662 /nfs/dbraw/zinc/29/86/62/822298662.db2.gz HXAIKXXYIQORIN-KGLIPLIRSA-N 1 1 388.418 4.289 20 0 GIADMO C[C@H](NC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182613376 822322665 /nfs/dbraw/zinc/32/26/65/822322665.db2.gz LYNNMNYNOAWCGL-QRFRQXIXSA-N 1 1 398.576 4.185 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(N3CCOCC3)cc2C)cc1 ZINC000182616309 822324224 /nfs/dbraw/zinc/32/42/24/822324224.db2.gz PPDMFGYTWRVFJS-SFHVURJKSA-N 1 1 376.504 4.499 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000178131618 822328138 /nfs/dbraw/zinc/32/81/38/822328138.db2.gz HCWKINYBEQBNPY-FDDCHVKYSA-N 1 1 393.531 4.074 20 0 GIADMO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1CN1CCCCC1 ZINC000182629119 822329863 /nfs/dbraw/zinc/32/98/63/822329863.db2.gz NYFLQFVXMMBCEI-HTAPYJJXSA-N 1 1 386.511 4.204 20 0 GIADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000182647394 822338125 /nfs/dbraw/zinc/33/81/25/822338125.db2.gz YKVWNQMEVGRUMU-UHFFFAOYSA-N 1 1 399.878 4.001 20 0 GIADMO Cc1cc(N2CCC(NC(=O)C[C@H](C)c3ccc(C(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000178176645 822343207 /nfs/dbraw/zinc/34/32/07/822343207.db2.gz PHZKJZTXKYCUEV-KRWDZBQOSA-N 1 1 394.563 4.496 20 0 GIADMO Cc1c(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)sc2cccc(F)c12 ZINC000178178634 822344016 /nfs/dbraw/zinc/34/40/16/822344016.db2.gz RCMYOORNEQUTNC-UHFFFAOYSA-N 1 1 398.507 4.154 20 0 GIADMO O=S1(=O)CCC[C@H]([NH2+]C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000182673481 822347432 /nfs/dbraw/zinc/34/74/32/822347432.db2.gz BCAYFJKAIWZHGS-KRWDZBQOSA-N 1 1 384.328 4.250 20 0 GIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NCc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000178190361 822347686 /nfs/dbraw/zinc/34/76/86/822347686.db2.gz DHWCNAODXKKIJH-NRFANRHFSA-N 1 1 393.462 4.148 20 0 GIADMO Cc1ccc(OC(F)F)c(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182722791 822357877 /nfs/dbraw/zinc/35/78/77/822357877.db2.gz OTSARKKGJPUPDX-HZPDHXFCSA-N 1 1 395.494 4.049 20 0 GIADMO C[C@@H](N1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000178243375 822357894 /nfs/dbraw/zinc/35/78/94/822357894.db2.gz VRSYXDWXPGCUNX-CYBMUJFWSA-N 1 1 384.364 4.043 20 0 GIADMO Clc1ccc2c(c1)nccc2SCC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000182742670 822360750 /nfs/dbraw/zinc/36/07/50/822360750.db2.gz SBMYZQYZEFJAPP-AWEZNQCLSA-N 1 1 378.925 4.065 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)nnn1-c1ccc(F)cc1 ZINC000178282024 822362902 /nfs/dbraw/zinc/36/29/02/822362902.db2.gz GURYJULGYKETAK-LBPRGKRZSA-N 1 1 376.382 4.167 20 0 GIADMO CCn1c([C@H]2CCCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000453451754 822365858 /nfs/dbraw/zinc/36/58/58/822365858.db2.gz PBCLSPRSGDRURV-UYAOXDASSA-N 1 1 389.588 4.021 20 0 GIADMO COc1ccc(Br)cc1-c1nc(C[N@@H+](C)C[C@H]2CCOC2)cs1 ZINC000178345101 822369523 /nfs/dbraw/zinc/36/95/23/822369523.db2.gz YHZKKVUGNZYLCO-GFCCVEGCSA-N 1 1 397.338 4.050 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000045233775 822371856 /nfs/dbraw/zinc/37/18/56/822371856.db2.gz CAHIYKCDSVIRHA-CRAIPNDOSA-N 1 1 379.545 4.174 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1c(F)cc(Cl)cc1F ZINC000182826269 822373814 /nfs/dbraw/zinc/37/38/14/822373814.db2.gz NRUSZJGENVQVKC-HNNXBMFYSA-N 1 1 393.865 4.304 20 0 GIADMO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000178388752 822374159 /nfs/dbraw/zinc/37/41/59/822374159.db2.gz AGZBZNNNJGQWJO-IRXDYDNUSA-N 1 1 393.522 4.268 20 0 GIADMO CC(C)CO[C@@H](C)c1noc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000178397809 822375097 /nfs/dbraw/zinc/37/50/97/822375097.db2.gz BXOTTWGDDLVBFJ-FXAWDEMLSA-N 1 1 387.524 4.065 20 0 GIADMO CC(C)CO[C@@H](C)c1noc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000178397809 822375100 /nfs/dbraw/zinc/37/51/00/822375100.db2.gz BXOTTWGDDLVBFJ-FXAWDEMLSA-N 1 1 387.524 4.065 20 0 GIADMO OCCC[N@@H+](Cc1cncc(Br)c1)[C@@H]1CCCc2ccccc21 ZINC000178396589 822375184 /nfs/dbraw/zinc/37/51/84/822375184.db2.gz GRGUMDUOWSXNQW-LJQANCHMSA-N 1 1 375.310 4.106 20 0 GIADMO C[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840437 822376454 /nfs/dbraw/zinc/37/64/54/822376454.db2.gz ZWCJQNMQOVFVSV-KGLIPLIRSA-N 1 1 385.430 4.360 20 0 GIADMO C[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840381 822376497 /nfs/dbraw/zinc/37/64/97/822376497.db2.gz ZWCJQNMQOVFVSV-UONOGXRCSA-N 1 1 385.430 4.360 20 0 GIADMO C[C@@H](NC(=O)N1CCC(OCC2CCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182843281 822376923 /nfs/dbraw/zinc/37/69/23/822376923.db2.gz VQRNCXVEBVUROJ-QUCCMNQESA-N 1 1 391.600 4.020 20 0 GIADMO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178432340 822378402 /nfs/dbraw/zinc/37/84/02/822378402.db2.gz JGDISQFFOQGFOS-VQIMIIECSA-N 1 1 397.519 4.209 20 0 GIADMO C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000178466637 822381894 /nfs/dbraw/zinc/38/18/94/822381894.db2.gz LYURKBWCNLTLPZ-HOCLYGCPSA-N 1 1 385.309 4.432 20 0 GIADMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000045378012 822382269 /nfs/dbraw/zinc/38/22/69/822382269.db2.gz LBZYYKAADBYNDF-ZACQAIPSSA-N 1 1 387.524 4.023 20 0 GIADMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045378008 822382294 /nfs/dbraw/zinc/38/22/94/822382294.db2.gz LBZYYKAADBYNDF-BBWFWOEESA-N 1 1 387.524 4.023 20 0 GIADMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045378008 822382296 /nfs/dbraw/zinc/38/22/96/822382296.db2.gz LBZYYKAADBYNDF-BBWFWOEESA-N 1 1 387.524 4.023 20 0 GIADMO C[C@H](NC(=O)N(C)CCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867872 822382424 /nfs/dbraw/zinc/38/24/24/822382424.db2.gz YOYHYXOZCARNJN-WMZOPIPTSA-N 1 1 377.960 4.177 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccc2c(c1)OCCO2 ZINC000178479834 822383442 /nfs/dbraw/zinc/38/34/42/822383442.db2.gz RVSPPHYJSUFUQK-KUHUBIRLSA-N 1 1 396.466 4.288 20 0 GIADMO C[C@@H](NC(=O)N1CCSC2(CCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182874195 822383783 /nfs/dbraw/zinc/38/37/83/822383783.db2.gz YQSSZLDMBKCWPN-QZTJIDSGSA-N 1 1 379.614 4.101 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2cc3ccccc3o2)ccc1S(=O)(=O)C(F)F ZINC000178486802 822384339 /nfs/dbraw/zinc/38/43/39/822384339.db2.gz BCXRVBVQZRVHMT-LBPRGKRZSA-N 1 1 395.427 4.289 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182879298 822384899 /nfs/dbraw/zinc/38/48/99/822384899.db2.gz VHHCSJVBEPHSGZ-HXUWFJFHSA-N 1 1 395.547 4.263 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2nc3ccccc3nc2C)cnn1-c1ccc(F)cc1 ZINC000182879918 822385056 /nfs/dbraw/zinc/38/50/56/822385056.db2.gz HYZOYEJYPWDKGZ-CQSZACIVSA-N 1 1 375.451 4.422 20 0 GIADMO Cc1cc(Br)c(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)s1 ZINC000453567272 822385429 /nfs/dbraw/zinc/38/54/29/822385429.db2.gz UYIQCNXIPROOID-UHFFFAOYSA-N 1 1 397.338 4.115 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182885180 822385624 /nfs/dbraw/zinc/38/56/24/822385624.db2.gz ZKZYHESAGPJOAU-CRAIPNDOSA-N 1 1 398.526 4.011 20 0 GIADMO CC(=O)N(c1nc(CNCCCC[N@@H+](C)C2CC2)cs1)c1ccc(C)cc1 ZINC000453590764 822389950 /nfs/dbraw/zinc/38/99/50/822389950.db2.gz BFSYSAVCOFRENY-UHFFFAOYSA-N 1 1 386.565 4.100 20 0 GIADMO CC(=O)N(c1nc(CNCCCC[N@H+](C)C2CC2)cs1)c1ccc(C)cc1 ZINC000453590764 822389956 /nfs/dbraw/zinc/38/99/56/822389956.db2.gz BFSYSAVCOFRENY-UHFFFAOYSA-N 1 1 386.565 4.100 20 0 GIADMO Cc1nc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)sc1C ZINC000178546763 822390584 /nfs/dbraw/zinc/39/05/84/822390584.db2.gz IEKIJAJTQXEHQE-RTBURBONSA-N 1 1 384.549 4.278 20 0 GIADMO CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182911093 822391349 /nfs/dbraw/zinc/39/13/49/822391349.db2.gz NRMNXXXZBRQNOU-GKERGOQESA-N 1 1 399.535 4.037 20 0 GIADMO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000453611743 822392785 /nfs/dbraw/zinc/39/27/85/822392785.db2.gz LBJMLWMWEARULG-UHFFFAOYSA-N 1 1 393.531 4.361 20 0 GIADMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000453611743 822392788 /nfs/dbraw/zinc/39/27/88/822392788.db2.gz LBJMLWMWEARULG-UHFFFAOYSA-N 1 1 393.531 4.361 20 0 GIADMO COCC[N@@H+](C/C(C)=C/c1ccccc1OC(F)F)Cc1c(C)nn(C)c1C ZINC000453614513 822393367 /nfs/dbraw/zinc/39/33/67/822393367.db2.gz ODLGGMKVUWVFIZ-NTCAYCPXSA-N 1 1 393.478 4.190 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000182925238 822393891 /nfs/dbraw/zinc/39/38/91/822393891.db2.gz HEQGRWBXTRZXNA-HYVNUMGLSA-N 1 1 392.613 4.369 20 0 GIADMO COc1ccccc1[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccco1 ZINC000178584059 822394045 /nfs/dbraw/zinc/39/40/45/822394045.db2.gz CBICKFONDYMEHC-QFIPXVFZSA-N 1 1 397.519 4.038 20 0 GIADMO COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182933588 822395377 /nfs/dbraw/zinc/39/53/77/822395377.db2.gz WHNSNYFYWIWGHO-ZIAGYGMSSA-N 1 1 397.466 4.071 20 0 GIADMO COc1ccc(OC(F)F)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182933608 822395595 /nfs/dbraw/zinc/39/55/95/822395595.db2.gz WHNSNYFYWIWGHO-KBPBESRZSA-N 1 1 397.466 4.071 20 0 GIADMO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000182937502 822396138 /nfs/dbraw/zinc/39/61/38/822396138.db2.gz DFJPVTFNJOOQKU-JLJPHGGASA-N 1 1 378.586 4.115 20 0 GIADMO Cc1ccccc1OCCCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182941356 822397007 /nfs/dbraw/zinc/39/70/07/822397007.db2.gz MDYFFBLMLWHFOC-PMACEKPBSA-N 1 1 387.568 4.058 20 0 GIADMO C[C@H](Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000182972634 822402355 /nfs/dbraw/zinc/40/23/55/822402355.db2.gz GERXYMPZUVMFST-ROUUACIJSA-N 1 1 376.508 4.210 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000045696882 822405997 /nfs/dbraw/zinc/40/59/97/822405997.db2.gz MFIGNQWUHFQBBL-QGZVFWFLSA-N 1 1 397.544 4.088 20 0 GIADMO FC(F)(F)c1csc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000178749391 822407126 /nfs/dbraw/zinc/40/71/26/822407126.db2.gz WITFPPARVLBDHR-UHFFFAOYSA-N 1 1 384.423 4.492 20 0 GIADMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000183009120 822410595 /nfs/dbraw/zinc/41/05/95/822410595.db2.gz QXOUCUUZZAKPLI-IFXJQAMLSA-N 1 1 391.437 4.328 20 0 GIADMO COc1ccc2cc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000178804231 822411994 /nfs/dbraw/zinc/41/19/94/822411994.db2.gz PRIVEXGWMREHRC-NFBKMPQASA-N 1 1 393.531 4.007 20 0 GIADMO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000045779068 822412609 /nfs/dbraw/zinc/41/26/09/822412609.db2.gz FLKRTBWUAAESRJ-MRXNPFEDSA-N 1 1 384.524 4.007 20 0 GIADMO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)on1 ZINC000045780714 822413103 /nfs/dbraw/zinc/41/31/03/822413103.db2.gz DJKAHTNNZNBPDW-RXVVDRJESA-N 1 1 396.535 4.404 20 0 GIADMO COc1cccc(CN(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000045786641 822413493 /nfs/dbraw/zinc/41/34/93/822413493.db2.gz ZYQUPDREMCICDN-LJQANCHMSA-N 1 1 395.547 4.269 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000178846626 822416193 /nfs/dbraw/zinc/41/61/93/822416193.db2.gz YRVPLHFWUFACFH-AWEZNQCLSA-N 1 1 392.434 4.205 20 0 GIADMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000183050071 822417734 /nfs/dbraw/zinc/41/77/34/822417734.db2.gz JONMNRURCYMROK-QRWLVFNGSA-N 1 1 395.952 4.159 20 0 GIADMO C[C@@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000183073941 822420881 /nfs/dbraw/zinc/42/08/81/822420881.db2.gz DQSHXOJEWOZXNR-HDJNLFOXSA-N 1 1 399.343 4.030 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000178916706 822421509 /nfs/dbraw/zinc/42/15/09/822421509.db2.gz RGCBTCKJIKZPOC-JSGCOSHPSA-N 1 1 385.291 4.183 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CCC[C@H](OCCO)C1 ZINC000178916706 822421510 /nfs/dbraw/zinc/42/15/10/822421510.db2.gz RGCBTCKJIKZPOC-JSGCOSHPSA-N 1 1 385.291 4.183 20 0 GIADMO COc1ccc(-c2nc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)co2)cc1 ZINC000045913765 822423402 /nfs/dbraw/zinc/42/34/02/822423402.db2.gz GOKSUZVKBHQUIH-JOCHJYFZSA-N 1 1 378.472 4.296 20 0 GIADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000183095300 822423707 /nfs/dbraw/zinc/42/37/07/822423707.db2.gz HXHZCBXCCQBAQZ-LJQANCHMSA-N 1 1 395.503 4.040 20 0 GIADMO C[C@@H](NCc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101552 822424493 /nfs/dbraw/zinc/42/44/93/822424493.db2.gz DJMKOMBEJBSSBG-CTNGQTDRSA-N 1 1 379.548 4.403 20 0 GIADMO C[C@@H](NCc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101552 822424495 /nfs/dbraw/zinc/42/44/95/822424495.db2.gz DJMKOMBEJBSSBG-CTNGQTDRSA-N 1 1 379.548 4.403 20 0 GIADMO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000183102531 822424728 /nfs/dbraw/zinc/42/47/28/822424728.db2.gz SGHYGRRDVILPTB-INIZCTEOSA-N 1 1 395.482 4.176 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(Br)cc2F)C1 ZINC000045957577 822426825 /nfs/dbraw/zinc/42/68/25/822426825.db2.gz BUQFVAHPDMWACU-CYBMUJFWSA-N 1 1 386.309 4.222 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000183119832 822427157 /nfs/dbraw/zinc/42/71/57/822427157.db2.gz RJGOFQYVUIMKON-JXFKEZNVSA-N 1 1 381.911 4.243 20 0 GIADMO COc1cc(OC)c(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000045974999 822428181 /nfs/dbraw/zinc/42/81/81/822428181.db2.gz OCCITAJTZUUSKJ-CQSZACIVSA-N 1 1 383.920 4.133 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@H+]1CCCC[C@@H]1C ZINC000046009456 822434236 /nfs/dbraw/zinc/43/42/36/822434236.db2.gz KVKRQNDYLSCNLJ-KBPBESRZSA-N 1 1 386.462 4.156 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1ccccc1 ZINC000183169875 822435052 /nfs/dbraw/zinc/43/50/52/822435052.db2.gz BZCYRAQSWITMFV-SIKLNZKXSA-N 1 1 388.515 4.381 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000179101355 822438180 /nfs/dbraw/zinc/43/81/80/822438180.db2.gz BLTWWHWLWQTMRC-QGZVFWFLSA-N 1 1 393.535 4.041 20 0 GIADMO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000179109752 822439151 /nfs/dbraw/zinc/43/91/51/822439151.db2.gz UCNOAGAIRWOXPR-UHFFFAOYSA-N 1 1 383.923 4.493 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1csc2ccccc12 ZINC000046089512 822440533 /nfs/dbraw/zinc/44/05/33/822440533.db2.gz OZVQNQAYGWIRBW-UHFFFAOYSA-N 1 1 393.512 4.099 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1csc2ccccc12 ZINC000046089512 822440536 /nfs/dbraw/zinc/44/05/36/822440536.db2.gz OZVQNQAYGWIRBW-UHFFFAOYSA-N 1 1 393.512 4.099 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000046089364 822440712 /nfs/dbraw/zinc/44/07/12/822440712.db2.gz UGYDHCSJHLBAOU-RTBURBONSA-N 1 1 398.528 4.020 20 0 GIADMO COc1cccnc1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000454233245 822441712 /nfs/dbraw/zinc/44/17/12/822441712.db2.gz WWTBPBMYGZWCDH-UHFFFAOYSA-N 1 1 382.508 4.176 20 0 GIADMO C[C@H](O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000183211632 822442399 /nfs/dbraw/zinc/44/23/99/822442399.db2.gz PASFKTZVKTVNLM-GJZGRUSLSA-N 1 1 390.936 4.132 20 0 GIADMO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000183211632 822442400 /nfs/dbraw/zinc/44/24/00/822442400.db2.gz PASFKTZVKTVNLM-GJZGRUSLSA-N 1 1 390.936 4.132 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000179163505 822446096 /nfs/dbraw/zinc/44/60/96/822446096.db2.gz YMHRDIPWZFJWCQ-UHFFFAOYSA-N 1 1 388.537 4.202 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(COC)c1 ZINC000179192544 822449084 /nfs/dbraw/zinc/44/90/84/822449084.db2.gz SPIHSKDITDGKAF-UHFFFAOYSA-N 1 1 380.410 4.101 20 0 GIADMO CCOCc1cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000179197228 822449605 /nfs/dbraw/zinc/44/96/05/822449605.db2.gz YSXNHEUPXBDJQU-QGZVFWFLSA-N 1 1 380.492 4.005 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc4ccccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000183265475 822450609 /nfs/dbraw/zinc/45/06/09/822450609.db2.gz FOAUONIURJDLQR-DENIHFKCSA-N 1 1 376.456 4.149 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc4ccccc4o3)CC[N@H+]2C2CC2)c1 ZINC000183265475 822450611 /nfs/dbraw/zinc/45/06/11/822450611.db2.gz FOAUONIURJDLQR-DENIHFKCSA-N 1 1 376.456 4.149 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3cc4ccccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000183265492 822450652 /nfs/dbraw/zinc/45/06/52/822450652.db2.gz FOAUONIURJDLQR-KNQAVFIVSA-N 1 1 376.456 4.149 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3cc4ccccc4o3)CC[N@H+]2C2CC2)c1 ZINC000183265492 822450654 /nfs/dbraw/zinc/45/06/54/822450654.db2.gz FOAUONIURJDLQR-KNQAVFIVSA-N 1 1 376.456 4.149 20 0 GIADMO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)C(C)C ZINC000183269204 822451210 /nfs/dbraw/zinc/45/12/10/822451210.db2.gz PLLXDOPSWWWVEB-FQEVSTJZSA-N 1 1 385.533 4.315 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ncc(Br)s1 ZINC000179209072 822451436 /nfs/dbraw/zinc/45/14/36/822451436.db2.gz HVSDMCQBRXPEPG-GFCCVEGCSA-N 1 1 377.311 4.001 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(Br)c2Cl)C1 ZINC000183274373 822452188 /nfs/dbraw/zinc/45/21/88/822452188.db2.gz PCESGRTVLHDVIW-CYBMUJFWSA-N 1 1 387.749 4.344 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc4ncsc4c3)CC[N@H+]2C2CC2)c1 ZINC000183276702 822452396 /nfs/dbraw/zinc/45/23/96/822452396.db2.gz KGNAWSSFIBUZKV-TZIWHRDSSA-N 1 1 393.512 4.013 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc4ncsc4c3)CC[N@H+]2C2CC2)c1 ZINC000183276755 822452655 /nfs/dbraw/zinc/45/26/55/822452655.db2.gz KGNAWSSFIBUZKV-FPOVZHCZSA-N 1 1 393.512 4.013 20 0 GIADMO COc1cccc([C@@H](CN[C@H](c2ccccc2)c2ccc(F)cn2)[NH+](C)C)c1 ZINC000183281154 822453047 /nfs/dbraw/zinc/45/30/47/822453047.db2.gz LHPKFZLVFFQADU-DHIUTWEWSA-N 1 1 379.479 4.211 20 0 GIADMO Cc1ccc([C@H](C[NH2+][C@H](C)c2ncc(Br)s2)N2CCCC2)o1 ZINC000179221753 822453312 /nfs/dbraw/zinc/45/33/12/822453312.db2.gz KCHGTQWTIHVJBC-OLZOCXBDSA-N 1 1 384.343 4.295 20 0 GIADMO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000183291469 822454038 /nfs/dbraw/zinc/45/40/38/822454038.db2.gz HPEZMKIBDOKHAS-MNOVXSKESA-N 1 1 379.448 4.212 20 0 GIADMO COCc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000179235810 822455412 /nfs/dbraw/zinc/45/54/12/822455412.db2.gz PCHLIEJJGAKWAS-IBGZPJMESA-N 1 1 385.483 4.006 20 0 GIADMO CCc1noc(C)c1CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000454307567 822455618 /nfs/dbraw/zinc/45/56/18/822455618.db2.gz APZAIGLFVHNHHU-CALCHBBNSA-N 1 1 398.551 4.023 20 0 GIADMO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239081 822456029 /nfs/dbraw/zinc/45/60/29/822456029.db2.gz JCRSXXXZGQJDRN-VNHYZAJKSA-N 1 1 380.355 4.219 20 0 GIADMO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239081 822456031 /nfs/dbraw/zinc/45/60/31/822456031.db2.gz JCRSXXXZGQJDRN-VNHYZAJKSA-N 1 1 380.355 4.219 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179289584 822461460 /nfs/dbraw/zinc/46/14/60/822461460.db2.gz URVLKGANHHVNOD-BEFAXECRSA-N 1 1 393.865 4.110 20 0 GIADMO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@H](C)[C@H](C)c3ccccc3)s2)cc1 ZINC000183351774 822462602 /nfs/dbraw/zinc/46/26/02/822462602.db2.gz IRJYYURJZPCTAX-JKSUJKDBSA-N 1 1 380.517 4.381 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCc2c[nH]c3ccccc23)C[C@@H](C)O1 ZINC000046341946 822463168 /nfs/dbraw/zinc/46/31/68/822463168.db2.gz KQEZTCQEFAWAKN-QZTJIDSGSA-N 1 1 391.515 4.348 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1F ZINC000454372521 822464360 /nfs/dbraw/zinc/46/43/60/822464360.db2.gz FNLHVEBWYZWXGD-WFASDCNBSA-N 1 1 398.404 4.192 20 0 GIADMO O=C(CCCC[C@H]1CCSS1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046362556 822466214 /nfs/dbraw/zinc/46/62/14/822466214.db2.gz PJIPBWLLDGKSRD-IBGZPJMESA-N 1 1 378.607 4.265 20 0 GIADMO O=C1CCCN1Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183381533 822466427 /nfs/dbraw/zinc/46/64/27/822466427.db2.gz MVOPZLLECRHSAD-DEOSSOPVSA-N 1 1 389.474 4.222 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccco1 ZINC000183392359 822467678 /nfs/dbraw/zinc/46/76/78/822467678.db2.gz HQSBIBFFEPPUDS-ZBFHGGJFSA-N 1 1 387.373 4.448 20 0 GIADMO Fc1ccc([C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c2ccccc2)nc1 ZINC000183405275 822469080 /nfs/dbraw/zinc/46/90/80/822469080.db2.gz IPKAYWXXLODPKB-QFIPXVFZSA-N 1 1 376.410 4.425 20 0 GIADMO C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046404539 822470693 /nfs/dbraw/zinc/47/06/93/822470693.db2.gz CHEHIHWOCQXCMS-SFHVURJKSA-N 1 1 383.561 4.089 20 0 GIADMO C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046404540 822470726 /nfs/dbraw/zinc/47/07/26/822470726.db2.gz CHEHIHWOCQXCMS-GOSISDBHSA-N 1 1 383.561 4.089 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2)C[C@@H](C)O1 ZINC000046431920 822472426 /nfs/dbraw/zinc/47/24/26/822472426.db2.gz ATLPYXOOVQZDGA-ZIAGYGMSSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@H](NC(=O)Nc1cccc(COCC2CC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183441495 822475338 /nfs/dbraw/zinc/47/53/38/822475338.db2.gz FWCBPJFWOOQKBU-FXAWDEMLSA-N 1 1 385.552 4.388 20 0 GIADMO CC[C@@H](C)N(CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401784 822477515 /nfs/dbraw/zinc/47/75/15/822477515.db2.gz BZGFDTMGOZAKST-CVEARBPZSA-N 1 1 385.474 4.229 20 0 GIADMO Cc1ccc(Cc2nc(C(=O)N3CCC[N@H+](C4CCCC4)CC3)cs2)cc1 ZINC000179402523 822477777 /nfs/dbraw/zinc/47/77/77/822477777.db2.gz XDACYVRRNFFADP-UHFFFAOYSA-N 1 1 383.561 4.133 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183464521 822478950 /nfs/dbraw/zinc/47/89/50/822478950.db2.gz UQDFHZRQROFSBL-HUUCEWRRSA-N 1 1 381.467 4.371 20 0 GIADMO COC(=O)c1coc(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000183473882 822480884 /nfs/dbraw/zinc/48/08/84/822480884.db2.gz KZRGFSURKSOMIU-FQEVSTJZSA-N 1 1 393.418 4.086 20 0 GIADMO Cc1cc2ncc([C@H](C)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c(C)n2n1 ZINC000179428138 822481268 /nfs/dbraw/zinc/48/12/68/822481268.db2.gz NQKGKXJWFYBHQX-IRFPFTSISA-N 1 1 389.547 4.192 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(N(C)C)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183475406 822481342 /nfs/dbraw/zinc/48/13/42/822481342.db2.gz ZDDJHTVALQQIRT-GJZGRUSLSA-N 1 1 378.948 4.181 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)N[C@H](C)CC(C)(C)C)CC2)cs1 ZINC000454491184 822483889 /nfs/dbraw/zinc/48/38/89/822483889.db2.gz SXNIPZJTXVAAKW-OAHLLOKOSA-N 1 1 380.602 4.041 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C2CC2)n1 ZINC000183496170 822485831 /nfs/dbraw/zinc/48/58/31/822485831.db2.gz DCZQLHDFRFVGJN-CVEARBPZSA-N 1 1 379.888 4.090 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)N2CCCCC[C@@H]2c2ccncc2)[C@@H]1c1ccccc1 ZINC000179472786 822487710 /nfs/dbraw/zinc/48/77/10/822487710.db2.gz UMEFLUIGVRHSNH-BDTNDASRSA-N 1 1 378.520 4.154 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183512077 822488163 /nfs/dbraw/zinc/48/81/63/822488163.db2.gz PABDBXSPIVRFGG-BDJLRTHQSA-N 1 1 379.913 4.181 20 0 GIADMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583949 822488480 /nfs/dbraw/zinc/48/84/80/822488480.db2.gz ZZWKJYDIVGFGNM-NSHDSACASA-N 1 1 387.789 4.093 20 0 GIADMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583949 822488484 /nfs/dbraw/zinc/48/84/84/822488484.db2.gz ZZWKJYDIVGFGNM-NSHDSACASA-N 1 1 387.789 4.093 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(F)ccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183516972 822488849 /nfs/dbraw/zinc/48/88/49/822488849.db2.gz SZTJWVFBIPJUCB-OLZOCXBDSA-N 1 1 398.320 4.363 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000454515968 822488995 /nfs/dbraw/zinc/48/89/95/822488995.db2.gz TYILYDKUGQXDQA-PWRODBHTSA-N 1 1 396.535 4.212 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@@H](n4ccnc4)C3)cs2)cc1OC ZINC000179481106 822489107 /nfs/dbraw/zinc/48/91/07/822489107.db2.gz UAAQIGQXFWUITB-QAPCUYQASA-N 1 1 398.532 4.107 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H](n4ccnc4)C3)cs2)cc1OC ZINC000179481106 822489110 /nfs/dbraw/zinc/48/91/10/822489110.db2.gz UAAQIGQXFWUITB-QAPCUYQASA-N 1 1 398.532 4.107 20 0 GIADMO COc1ccccc1[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccn1 ZINC000179483209 822489347 /nfs/dbraw/zinc/48/93/47/822489347.db2.gz FVBUXWXMPGBYJD-QXWFJRNPSA-N 1 1 387.527 4.290 20 0 GIADMO S=c1ccn(C[NH+]2CCC(CCCN3CCOCC3)CC2)c2ccccc12 ZINC000183520874 822489329 /nfs/dbraw/zinc/48/93/29/822489329.db2.gz PCHKJIPTQTULJX-UHFFFAOYSA-N 1 1 385.577 4.153 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179497802 822491436 /nfs/dbraw/zinc/49/14/36/822491436.db2.gz RAPFEVKNLLSNRG-UHFFFAOYSA-N 1 1 378.476 4.325 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)C2CC2)n1 ZINC000183539172 822492013 /nfs/dbraw/zinc/49/20/13/822492013.db2.gz SYEKTOPNVKWUIA-IFXJQAMLSA-N 1 1 387.574 4.410 20 0 GIADMO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)s1 ZINC000179503162 822492534 /nfs/dbraw/zinc/49/25/34/822492534.db2.gz BBPNLEWSOZDSPS-HQJQHLMTSA-N 1 1 379.682 4.082 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2noc3ccccc23)cc1 ZINC000046615622 822493204 /nfs/dbraw/zinc/49/32/04/822493204.db2.gz OKWXMQZUYPEOAZ-KRWDZBQOSA-N 1 1 377.488 4.061 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C2CC2)n1 ZINC000183549176 822493310 /nfs/dbraw/zinc/49/33/10/822493310.db2.gz FDWIKQHRSAPKCO-RTBURBONSA-N 1 1 375.513 4.145 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183556988 822494404 /nfs/dbraw/zinc/49/44/04/822494404.db2.gz WFNFUSFIPFPDPR-CRAIPNDOSA-N 1 1 375.563 4.090 20 0 GIADMO c1ccc(COc2ccc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cc2)nc1 ZINC000179515669 822494901 /nfs/dbraw/zinc/49/49/01/822494901.db2.gz XPBZMMHTLUEOND-LJQANCHMSA-N 1 1 389.503 4.036 20 0 GIADMO c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)cc2)nc1 ZINC000179515669 822494905 /nfs/dbraw/zinc/49/49/05/822494905.db2.gz XPBZMMHTLUEOND-LJQANCHMSA-N 1 1 389.503 4.036 20 0 GIADMO c1ccc(COc2ccc(C[N@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)cc2)nc1 ZINC000179515669 822494908 /nfs/dbraw/zinc/49/49/08/822494908.db2.gz XPBZMMHTLUEOND-LJQANCHMSA-N 1 1 389.503 4.036 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(-n2cccn2)c1 ZINC000183599738 822499546 /nfs/dbraw/zinc/49/95/46/822499546.db2.gz NFSTUOYURZJECA-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000179550355 822501822 /nfs/dbraw/zinc/50/18/22/822501822.db2.gz FXJMZHWVQVDYNB-OAQYLSRUSA-N 1 1 393.531 4.010 20 0 GIADMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000179557601 822503334 /nfs/dbraw/zinc/50/33/34/822503334.db2.gz RWYFOIZWKSMTDD-HUUCEWRRSA-N 1 1 396.503 4.407 20 0 GIADMO O=C1CCCN1C[C@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000179568268 822504877 /nfs/dbraw/zinc/50/48/77/822504877.db2.gz YYOOUBBEVMENOR-NRFANRHFSA-N 1 1 395.890 4.448 20 0 GIADMO COCCn1ccc2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc21 ZINC000183652014 822506342 /nfs/dbraw/zinc/50/63/42/822506342.db2.gz YOOOQRGWMRNZBO-MJGOQNOKSA-N 1 1 398.551 4.062 20 0 GIADMO COc1ccccc1C[N@@H+](C)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000179589255 822507884 /nfs/dbraw/zinc/50/78/84/822507884.db2.gz AWAGHPIHYUNHQW-UHFFFAOYSA-N 1 1 378.472 4.310 20 0 GIADMO COc1ccc(-c2nc(CN[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)no2)cc1 ZINC000183672438 822508988 /nfs/dbraw/zinc/50/89/88/822508988.db2.gz JLHHLEGHMHFHIO-OAHLLOKOSA-N 1 1 389.459 4.090 20 0 GIADMO CC[NH+]1CCN(CCCCNC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000046754630 822513459 /nfs/dbraw/zinc/51/34/59/822513459.db2.gz GTPLLCCMPSOKLT-UHFFFAOYSA-N 1 1 396.535 4.018 20 0 GIADMO Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179623616 822514556 /nfs/dbraw/zinc/51/45/56/822514556.db2.gz SURODHKWSLIXMK-KRWDZBQOSA-N 1 1 395.938 4.363 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@@H](C)c3cccc(C)c3C)n2)cc(OC)c1OC ZINC000183711518 822515360 /nfs/dbraw/zinc/51/53/60/822515360.db2.gz MOYBXSNUIXSJLA-HNNXBMFYSA-N 1 1 397.475 4.230 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)CC[C@@H]21 ZINC000179631805 822516408 /nfs/dbraw/zinc/51/64/08/822516408.db2.gz RBNSUHNMLKMJTM-IRLDBZIGSA-N 1 1 391.515 4.237 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000183725497 822517296 /nfs/dbraw/zinc/51/72/96/822517296.db2.gz SPCYBJWUJBFKRY-IAQYHMDHSA-N 1 1 393.409 4.024 20 0 GIADMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183727015 822517508 /nfs/dbraw/zinc/51/75/08/822517508.db2.gz YQSXNBUPWICPBQ-CYBMUJFWSA-N 1 1 377.282 4.198 20 0 GIADMO CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2csc(-c3ccco3)n2)cc1 ZINC000183728823 822517741 /nfs/dbraw/zinc/51/77/41/822517741.db2.gz DVUZRDRTRWHPOB-FQEVSTJZSA-N 1 1 397.544 4.129 20 0 GIADMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2csc(-c3ccccn3)n2)CC1 ZINC000179641473 822518124 /nfs/dbraw/zinc/51/81/24/822518124.db2.gz BZVVDQQDOBOZNW-MRXNPFEDSA-N 1 1 382.508 4.223 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc(Br)c1)c1ccccc1Cl ZINC000046810156 822520020 /nfs/dbraw/zinc/52/00/20/822520020.db2.gz PPIFNXYLNIYXJC-MRXNPFEDSA-N 1 1 399.691 4.274 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1Br ZINC000183741013 822520355 /nfs/dbraw/zinc/52/03/55/822520355.db2.gz NRKSDOWUJGOTJX-GFCCVEGCSA-N 1 1 393.256 4.396 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)CC1 ZINC000183751472 822522175 /nfs/dbraw/zinc/52/21/75/822522175.db2.gz QXUSEXQXLPTHBE-RTWAWAEBSA-N 1 1 381.605 4.124 20 0 GIADMO CCN(Cc1nnc(-c2ccccc2Cl)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183752138 822522463 /nfs/dbraw/zinc/52/24/63/822522463.db2.gz MDBLTJAZZQHYFR-GOSISDBHSA-N 1 1 396.922 4.486 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cccc(C(F)(F)F)c1 ZINC000179669893 822523650 /nfs/dbraw/zinc/52/36/50/822523650.db2.gz VDINEIYXMYWUJZ-IBGZPJMESA-N 1 1 389.421 4.439 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccccc1F ZINC000046846461 822523765 /nfs/dbraw/zinc/52/37/65/822523765.db2.gz OYZILRWDFHEJDV-HXUWFJFHSA-N 1 1 380.488 4.417 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccccc1F ZINC000046846461 822523767 /nfs/dbraw/zinc/52/37/67/822523767.db2.gz OYZILRWDFHEJDV-HXUWFJFHSA-N 1 1 380.488 4.417 20 0 GIADMO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000183761870 822523987 /nfs/dbraw/zinc/52/39/87/822523987.db2.gz AXEIZTIZCAWTKO-ZDUSSCGKSA-N 1 1 381.303 4.107 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccc(C(F)(F)F)cc1 ZINC000179676357 822524897 /nfs/dbraw/zinc/52/48/97/822524897.db2.gz WBYBGACJXVAXAA-IBGZPJMESA-N 1 1 389.421 4.439 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@@H](C)CC(C)(C)C3)CC2)oc1C ZINC000183769386 822525866 /nfs/dbraw/zinc/52/58/66/822525866.db2.gz YUDQHDFWNATKKV-DNVCBOLYSA-N 1 1 375.557 4.082 20 0 GIADMO COc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)c(Br)c1OC ZINC000179687193 822527343 /nfs/dbraw/zinc/52/73/43/822527343.db2.gz MCDKTNXTCWPANW-UHFFFAOYSA-N 1 1 380.257 4.384 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2Cl)c1 ZINC000183787909 822528213 /nfs/dbraw/zinc/52/82/13/822528213.db2.gz MTCDELUMLGHQSS-CHWSQXEVSA-N 1 1 394.874 4.024 20 0 GIADMO CC(C)c1cnc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)s1 ZINC000183790135 822528492 /nfs/dbraw/zinc/52/84/92/822528492.db2.gz HWCVISOZVJABRZ-UHFFFAOYSA-N 1 1 380.517 4.228 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@@H](c3ccccc3)C3CC3)n2)cc(OC)c1OC ZINC000179698747 822530016 /nfs/dbraw/zinc/53/00/16/822530016.db2.gz RNWQKILEHRHQJL-FQEVSTJZSA-N 1 1 395.459 4.003 20 0 GIADMO CC[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1OC(F)F ZINC000179715590 822533712 /nfs/dbraw/zinc/53/37/12/822533712.db2.gz LSQWVEZRGFCZRU-HNNXBMFYSA-N 1 1 393.821 4.190 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)C1CC1 ZINC000454786273 822533830 /nfs/dbraw/zinc/53/38/30/822533830.db2.gz MANZFIPFHFENRM-UHFFFAOYSA-N 1 1 393.837 4.277 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)o2)cc1 ZINC000046989773 822536111 /nfs/dbraw/zinc/53/61/11/822536111.db2.gz FFQBUVBJTQRCBO-LJQANCHMSA-N 1 1 383.536 4.353 20 0 GIADMO COc1cccc([C@H]2CCCN2C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000047009839 822537342 /nfs/dbraw/zinc/53/73/42/822537342.db2.gz KPIQVDAASPVAHK-OXJNMPFZSA-N 1 1 399.560 4.050 20 0 GIADMO COc1cccc([C@H]2CCCN2C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000047009839 822537345 /nfs/dbraw/zinc/53/73/45/822537345.db2.gz KPIQVDAASPVAHK-OXJNMPFZSA-N 1 1 399.560 4.050 20 0 GIADMO CC1([C@H]2CCC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)OCCO1 ZINC000183865575 822538068 /nfs/dbraw/zinc/53/80/68/822538068.db2.gz JMPATPQGSSAWSK-INIZCTEOSA-N 1 1 396.409 4.335 20 0 GIADMO Fc1cccc(-c2nc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)co2)c1 ZINC000179745226 822541553 /nfs/dbraw/zinc/54/15/53/822541553.db2.gz VMNCMHCOJRXJMH-NRFANRHFSA-N 1 1 380.419 4.493 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(F)ccc3SCC(F)F)C2)C1 ZINC000454830884 822542330 /nfs/dbraw/zinc/54/23/30/822542330.db2.gz KZKLFYSCECZLBD-GOSISDBHSA-N 1 1 387.471 4.133 20 0 GIADMO Fc1cccc(F)c1-n1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179758468 822544648 /nfs/dbraw/zinc/54/46/48/822544648.db2.gz CQJPZCHQSSCQIX-NRFANRHFSA-N 1 1 397.425 4.163 20 0 GIADMO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047127565 822546291 /nfs/dbraw/zinc/54/62/91/822546291.db2.gz SOWUWULVNPKITG-ZCNNSNEGSA-N 1 1 395.547 4.198 20 0 GIADMO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047127565 822546295 /nfs/dbraw/zinc/54/62/95/822546295.db2.gz SOWUWULVNPKITG-ZCNNSNEGSA-N 1 1 395.547 4.198 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454879749 822550180 /nfs/dbraw/zinc/55/01/80/822550180.db2.gz ZHNFKACVKGIGBZ-CTNGQTDRSA-N 1 1 379.504 4.038 20 0 GIADMO c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)nc1 ZINC000179778165 822551055 /nfs/dbraw/zinc/55/10/55/822551055.db2.gz IIXLHWCAICVAOV-HXUWFJFHSA-N 1 1 399.498 4.083 20 0 GIADMO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179779973 822551437 /nfs/dbraw/zinc/55/14/37/822551437.db2.gz RWVYKUFOJGKLQV-ZDUSSCGKSA-N 1 1 378.373 4.267 20 0 GIADMO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179779973 822551438 /nfs/dbraw/zinc/55/14/38/822551438.db2.gz RWVYKUFOJGKLQV-ZDUSSCGKSA-N 1 1 378.373 4.267 20 0 GIADMO FC(F)Oc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1Br ZINC000179780444 822551538 /nfs/dbraw/zinc/55/15/38/822551538.db2.gz ZOMYQDAMKSSRCO-LBPRGKRZSA-N 1 1 386.240 4.153 20 0 GIADMO COC1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2C(F)(F)F)CC1 ZINC000179782819 822551921 /nfs/dbraw/zinc/55/19/21/822551921.db2.gz UDHYIZQBHYRXOO-GDBMZVCRSA-N 1 1 385.474 4.215 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000047187675 822552234 /nfs/dbraw/zinc/55/22/34/822552234.db2.gz NZEWMXKQGYXMPV-LJQANCHMSA-N 1 1 383.536 4.435 20 0 GIADMO CC(=O)Nc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccc1C ZINC000047186611 822552332 /nfs/dbraw/zinc/55/23/32/822552332.db2.gz LCDJYPXFKFGUAE-KRWDZBQOSA-N 1 1 393.531 4.115 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1cc(F)ccc1F ZINC000179787602 822553155 /nfs/dbraw/zinc/55/31/55/822553155.db2.gz DVCICBZLEGIEEO-FQEVSTJZSA-N 1 1 398.457 4.447 20 0 GIADMO Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047214294 822554914 /nfs/dbraw/zinc/55/49/14/822554914.db2.gz KFJZIKFJQMSAKW-KDURUIRLSA-N 1 1 396.579 4.036 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000047214925 822554919 /nfs/dbraw/zinc/55/49/19/822554919.db2.gz YEDOISUEHGXIEB-LJQANCHMSA-N 1 1 393.531 4.323 20 0 GIADMO CC(C)[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000179803465 822556015 /nfs/dbraw/zinc/55/60/15/822556015.db2.gz XENUVTIFGJOPOG-VHSSKADRSA-N 1 1 393.915 4.026 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2ccc(Br)cc2)s1 ZINC000183973594 822556322 /nfs/dbraw/zinc/55/63/22/822556322.db2.gz PGWBTCMDPDMBIZ-NSHDSACASA-N 1 1 382.327 4.066 20 0 GIADMO C[C@@H](F)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000454919229 822556770 /nfs/dbraw/zinc/55/67/70/822556770.db2.gz GFMMZADGNOYESE-QNBCLJFBSA-N 1 1 381.923 4.301 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCC1(F)F ZINC000454920540 822557053 /nfs/dbraw/zinc/55/70/53/822557053.db2.gz KUPLTTWDODHRRY-MSOLQXFVSA-N 1 1 379.495 4.022 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1 ZINC000183987273 822558459 /nfs/dbraw/zinc/55/84/59/822558459.db2.gz MZDYKZBJIPHUBB-KRWDZBQOSA-N 1 1 395.528 4.396 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1 ZINC000183987273 822558462 /nfs/dbraw/zinc/55/84/62/822558462.db2.gz MZDYKZBJIPHUBB-KRWDZBQOSA-N 1 1 395.528 4.396 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000047260623 822559504 /nfs/dbraw/zinc/55/95/04/822559504.db2.gz TXSXXFKTCSEIDV-CQSZACIVSA-N 1 1 384.530 4.117 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000047260623 822559506 /nfs/dbraw/zinc/55/95/06/822559506.db2.gz TXSXXFKTCSEIDV-CQSZACIVSA-N 1 1 384.530 4.117 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1C ZINC000047260422 822559577 /nfs/dbraw/zinc/55/95/77/822559577.db2.gz LVUIHBIZZONUEG-IBGZPJMESA-N 1 1 379.504 4.060 20 0 GIADMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc(C)n4)C3)cs2)o1 ZINC000047261136 822559678 /nfs/dbraw/zinc/55/96/78/822559678.db2.gz RGSTXWZGKJFVLW-INIZCTEOSA-N 1 1 396.516 4.266 20 0 GIADMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4cccc(C)n4)C3)cs2)o1 ZINC000047261136 822559680 /nfs/dbraw/zinc/55/96/80/822559680.db2.gz RGSTXWZGKJFVLW-INIZCTEOSA-N 1 1 396.516 4.266 20 0 GIADMO Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc12 ZINC000047283524 822561946 /nfs/dbraw/zinc/56/19/46/822561946.db2.gz FBWHNZVWLFUISY-OAHLLOKOSA-N 1 1 391.519 4.069 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)C1 ZINC000047283413 822561972 /nfs/dbraw/zinc/56/19/72/822561972.db2.gz ZZFVEPBZYQSTMJ-OAHLLOKOSA-N 1 1 395.528 4.215 20 0 GIADMO COc1ccccc1CSc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000454994952 822567390 /nfs/dbraw/zinc/56/73/90/822567390.db2.gz HSFXBCQFGBFUPH-MRXNPFEDSA-N 1 1 385.533 4.061 20 0 GIADMO O=C(Nc1cc(F)ccc1F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047334591 822567717 /nfs/dbraw/zinc/56/77/17/822567717.db2.gz XQVFQUAJMNUWIC-UHFFFAOYSA-N 1 1 381.373 4.029 20 0 GIADMO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000179866165 822568393 /nfs/dbraw/zinc/56/83/93/822568393.db2.gz FSBHJQZQWHEKCQ-OAHLLOKOSA-N 1 1 399.466 4.162 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000179874824 822569570 /nfs/dbraw/zinc/56/95/70/822569570.db2.gz AVQSUFPCSSTUOX-JOCHJYFZSA-N 1 1 388.515 4.167 20 0 GIADMO COCc1ccsc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000179884681 822571423 /nfs/dbraw/zinc/57/14/23/822571423.db2.gz HFDXFWQUSUZKFO-UHFFFAOYSA-N 1 1 380.513 4.006 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(Br)ccc2Cl)cn1 ZINC000047385441 822573393 /nfs/dbraw/zinc/57/33/93/822573393.db2.gz YHDWYJNCQBGRDU-UHFFFAOYSA-N 1 1 391.656 4.244 20 0 GIADMO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000179899923 822573496 /nfs/dbraw/zinc/57/34/96/822573496.db2.gz NOZGQVBPMQBTBK-MRXNPFEDSA-N 1 1 385.483 4.114 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000179924990 822578199 /nfs/dbraw/zinc/57/81/99/822578199.db2.gz HYKQRINSKWXAPW-JOCHJYFZSA-N 1 1 398.547 4.024 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)n1 ZINC000179941015 822581479 /nfs/dbraw/zinc/58/14/79/822581479.db2.gz SHUGSSWFEGPMAJ-CQSZACIVSA-N 1 1 387.281 4.068 20 0 GIADMO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184125166 822582341 /nfs/dbraw/zinc/58/23/41/822582341.db2.gz IAZVZMXQARKSCC-SJLPKXTDSA-N 1 1 393.890 4.428 20 0 GIADMO Cc1noc(C)c1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184125166 822582345 /nfs/dbraw/zinc/58/23/45/822582345.db2.gz IAZVZMXQARKSCC-SJLPKXTDSA-N 1 1 393.890 4.428 20 0 GIADMO CCOc1cc(C[N@@H+](C)Cc2ccc(O)c(OC)c2)ccc1OCC(F)(F)F ZINC000179944260 822582510 /nfs/dbraw/zinc/58/25/10/822582510.db2.gz YGSVIDADLOTHTG-UHFFFAOYSA-N 1 1 399.409 4.373 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)cc1 ZINC000179943923 822582541 /nfs/dbraw/zinc/58/25/41/822582541.db2.gz DZMHLDKTCCVTFE-CYBMUJFWSA-N 1 1 397.924 4.002 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 ZINC000047507870 822585488 /nfs/dbraw/zinc/58/54/88/822585488.db2.gz MXSBIYMFSIWAIO-UHFFFAOYSA-N 1 1 398.486 4.026 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2c(F)cc(F)cc2F)[C@@H]1c1cccs1 ZINC000455075423 822585586 /nfs/dbraw/zinc/58/55/86/822585586.db2.gz FEQIIHYGOIXNHC-KPZWWZAWSA-N 1 1 397.466 4.048 20 0 GIADMO C[NH+](C)CCC1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000179970169 822587908 /nfs/dbraw/zinc/58/79/08/822587908.db2.gz PKQXVPFXBTZDJL-UHFFFAOYSA-N 1 1 376.342 4.161 20 0 GIADMO O=C(Nc1ccncc1F)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000184160210 822588079 /nfs/dbraw/zinc/58/80/79/822588079.db2.gz XZBYMQJCVPZCMS-UHFFFAOYSA-N 1 1 388.446 4.140 20 0 GIADMO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000455105011 822589478 /nfs/dbraw/zinc/58/94/78/822589478.db2.gz CKURFOXGVFXDGQ-XZOQPEGZSA-N 1 1 394.946 4.493 20 0 GIADMO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000455105982 822589590 /nfs/dbraw/zinc/58/95/90/822589590.db2.gz DDFZIYQFUAXYQL-LAUBAEHRSA-N 1 1 392.503 4.355 20 0 GIADMO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000455105984 822589695 /nfs/dbraw/zinc/58/96/95/822589695.db2.gz DDFZIYQFUAXYQL-UWJYYQICSA-N 1 1 392.503 4.355 20 0 GIADMO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000184170708 822590103 /nfs/dbraw/zinc/59/01/03/822590103.db2.gz NUFOQHPHEDPEQM-VQIMIIECSA-N 1 1 387.549 4.255 20 0 GIADMO CC(F)(F)CCNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000455115889 822591118 /nfs/dbraw/zinc/59/11/18/822591118.db2.gz IWEKSLSSBMGBTJ-UHFFFAOYSA-N 1 1 387.474 4.149 20 0 GIADMO Cc1csc([C@@H](C)[NH2+]CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)n1 ZINC000184188271 822592987 /nfs/dbraw/zinc/59/29/87/822592987.db2.gz JJTSKUIQBSQDGW-FOIQADDNSA-N 1 1 397.569 4.338 20 0 GIADMO CC(C)Oc1c(F)cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1F ZINC000455126759 822593145 /nfs/dbraw/zinc/59/31/45/822593145.db2.gz OKABYTCEWRZWEK-AWEZNQCLSA-N 1 1 381.467 4.090 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)Nc1ccncc1F ZINC000184190727 822593515 /nfs/dbraw/zinc/59/35/15/822593515.db2.gz WCMVBXLPFVFBCD-LJQANCHMSA-N 1 1 396.491 4.203 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)Nc1ccncc1F ZINC000184190727 822593517 /nfs/dbraw/zinc/59/35/17/822593517.db2.gz WCMVBXLPFVFBCD-LJQANCHMSA-N 1 1 396.491 4.203 20 0 GIADMO CC(=O)N(c1nc(Cn2cc[nH+]c2C)cs1)c1cccc(C(F)(F)F)c1 ZINC000180005337 822594191 /nfs/dbraw/zinc/59/41/91/822594191.db2.gz NNMSLLCSIVHDRU-UHFFFAOYSA-N 1 1 380.395 4.400 20 0 GIADMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(-c4ccc(F)cc4)n3)ccc2NC1=O ZINC000180010363 822595761 /nfs/dbraw/zinc/59/57/61/822595761.db2.gz WYRBAMOMQOBHDZ-YJYMSZOUSA-N 1 1 395.434 4.441 20 0 GIADMO Clc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccc5nccn54)C3)n2)cc1 ZINC000180014231 822596661 /nfs/dbraw/zinc/59/66/61/822596661.db2.gz AEICLWKWTUJZOK-INIZCTEOSA-N 1 1 393.878 4.417 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000180015238 822597077 /nfs/dbraw/zinc/59/70/77/822597077.db2.gz CHLNMFGWRLIPFX-QKYXUNIQSA-N 1 1 381.911 4.419 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1nc2ccc(Cl)cc2n1C ZINC000180017598 822597455 /nfs/dbraw/zinc/59/74/55/822597455.db2.gz PCCAVHLXMSTPBQ-CQSZACIVSA-N 1 1 382.895 4.204 20 0 GIADMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 ZINC000184220258 822598186 /nfs/dbraw/zinc/59/81/86/822598186.db2.gz BJJAPHUIGRCRTH-UHFFFAOYSA-N 1 1 399.966 4.153 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000184223747 822598824 /nfs/dbraw/zinc/59/88/24/822598824.db2.gz DQVISQRDJXYKNL-QFBILLFUSA-N 1 1 391.508 4.081 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000184223747 822598826 /nfs/dbraw/zinc/59/88/26/822598826.db2.gz DQVISQRDJXYKNL-QFBILLFUSA-N 1 1 391.508 4.081 20 0 GIADMO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180024774 822599308 /nfs/dbraw/zinc/59/93/08/822599308.db2.gz CVUVREOYKWTFGD-OAHLLOKOSA-N 1 1 386.927 4.018 20 0 GIADMO COc1ccc([C@H]([NH2+]CCNC(=O)c2ccco2)c2ccccc2Cl)cc1 ZINC000180031931 822601265 /nfs/dbraw/zinc/60/12/65/822601265.db2.gz SOWPWHSBQWKJCZ-FQEVSTJZSA-N 1 1 384.863 4.051 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCC2(F)F)[C@H]1c1cccs1 ZINC000455170679 822601412 /nfs/dbraw/zinc/60/14/12/822601412.db2.gz OPFXFVHPSYRPOT-VYDXJSESSA-N 1 1 385.524 4.256 20 0 GIADMO O=C(CCCc1cccs1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047714848 822602877 /nfs/dbraw/zinc/60/28/77/822602877.db2.gz LIFAUBGRJHLCNQ-UHFFFAOYSA-N 1 1 378.488 4.130 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000047715402 822603074 /nfs/dbraw/zinc/60/30/74/822603074.db2.gz DCNZSMQIOLPYTR-UHFFFAOYSA-N 1 1 398.375 4.378 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000047715699 822603261 /nfs/dbraw/zinc/60/32/61/822603261.db2.gz YPOZOAPRFQHBCN-UHFFFAOYSA-N 1 1 394.519 4.165 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccco1 ZINC000047792182 822609288 /nfs/dbraw/zinc/60/92/88/822609288.db2.gz FTEJEFYFOUQTEG-QFBILLFUSA-N 1 1 387.480 4.172 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1 ZINC000184315137 822613237 /nfs/dbraw/zinc/61/32/37/822613237.db2.gz DIXIVOJXJMQOEF-IBGZPJMESA-N 1 1 376.541 4.286 20 0 GIADMO C[C@H](c1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1)[NH+]1CCOCC1 ZINC000184327694 822615870 /nfs/dbraw/zinc/61/58/70/822615870.db2.gz RWBKZHSBRXVRPI-CYBMUJFWSA-N 1 1 392.862 4.021 20 0 GIADMO CCN(CC)[C@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccsc1 ZINC000180107289 822616564 /nfs/dbraw/zinc/61/65/64/822616564.db2.gz WEJKUZBTJQMTAJ-RTWAWAEBSA-N 1 1 386.540 4.383 20 0 GIADMO O=C(C[N@@H+](C1CC1)C1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000047904073 822618032 /nfs/dbraw/zinc/61/80/32/822618032.db2.gz HVPXNXBBINPBRE-NRFANRHFSA-N 1 1 398.547 4.309 20 0 GIADMO CC(C)[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124173 822620301 /nfs/dbraw/zinc/62/03/01/822620301.db2.gz GAKHOFDLNDYANC-OXQOHEQNSA-N 1 1 384.486 4.493 20 0 GIADMO CC(C)[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124173 822620302 /nfs/dbraw/zinc/62/03/02/822620302.db2.gz GAKHOFDLNDYANC-OXQOHEQNSA-N 1 1 384.486 4.493 20 0 GIADMO CC[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCO1 ZINC000180124176 822620331 /nfs/dbraw/zinc/62/03/31/822620331.db2.gz XCOYIUBDZJHZAT-RDJZCZTQSA-N 1 1 399.362 4.279 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)[C@@H]1c1ccccc1 ZINC000180126152 822620747 /nfs/dbraw/zinc/62/07/47/822620747.db2.gz WYVHACBGMNCWBB-UNMCSNQZSA-N 1 1 394.446 4.173 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1nc(C)cs1 ZINC000184357269 822621402 /nfs/dbraw/zinc/62/14/02/822621402.db2.gz FVWLOHGJRMDCTL-IBGZPJMESA-N 1 1 394.544 4.289 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000047945374 822621455 /nfs/dbraw/zinc/62/14/55/822621455.db2.gz HCDODNMXVHFGHQ-UHFFFAOYSA-N 1 1 398.507 4.417 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc(C)c1Br ZINC000455269368 822622389 /nfs/dbraw/zinc/62/23/89/822622389.db2.gz MUQGVPXNUVNZQM-SFHVURJKSA-N 1 1 380.330 4.016 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1nc2ccccc2n1C ZINC000180132889 822622632 /nfs/dbraw/zinc/62/26/32/822622632.db2.gz LSIFWDDUHLCKJW-RHSMWYFYSA-N 1 1 382.895 4.073 20 0 GIADMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1NC(=O)CC(C)C ZINC000180136455 822623816 /nfs/dbraw/zinc/62/38/16/822623816.db2.gz FQULYSJYYKFZDU-FYYLOGMGSA-N 1 1 393.531 4.155 20 0 GIADMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C1 ZINC000048046519 822626484 /nfs/dbraw/zinc/62/64/84/822626484.db2.gz DNQOXFAOUXUFHI-HNNXBMFYSA-N 1 1 389.590 4.342 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1cccc(C(C)=O)c1)[NH+]1CCCCC1 ZINC000048051891 822627183 /nfs/dbraw/zinc/62/71/83/822627183.db2.gz YKDVMPJTEOCBAI-NRFANRHFSA-N 1 1 395.503 4.247 20 0 GIADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000184407107 822629512 /nfs/dbraw/zinc/62/95/12/822629512.db2.gz MNZBTTOCDFEKMS-SJORKVTESA-N 1 1 375.538 4.158 20 0 GIADMO Cc1nc(CCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)oc1-c1ccccc1 ZINC000180165372 822630617 /nfs/dbraw/zinc/63/06/17/822630617.db2.gz FTCFDKYGHWAWJF-NZQKXSOJSA-N 1 1 389.499 4.144 20 0 GIADMO CC[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1nc(C)cs1 ZINC000184425740 822632771 /nfs/dbraw/zinc/63/27/71/822632771.db2.gz AYBYCQASGGQQBC-ZDUSSCGKSA-N 1 1 393.361 4.273 20 0 GIADMO C[C@H](c1cnccn1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000184427082 822633003 /nfs/dbraw/zinc/63/30/03/822633003.db2.gz SNNLPJZHOJRUCG-MRXNPFEDSA-N 1 1 382.508 4.223 20 0 GIADMO C[C@@H](NC1CC[NH+]([C@H](C)c2ccncc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180199311 822638090 /nfs/dbraw/zinc/63/80/90/822638090.db2.gz MCIWYQXOYZUNQJ-HZPDHXFCSA-N 1 1 397.954 4.498 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1)C1CC1 ZINC000455359063 822640088 /nfs/dbraw/zinc/64/00/88/822640088.db2.gz SNNMJGOEBNNWAA-UHFFFAOYSA-N 1 1 395.372 4.303 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2sccc2Br)CC1 ZINC000048153208 822640547 /nfs/dbraw/zinc/64/05/47/822640547.db2.gz PCEISYRIHMINGX-UHFFFAOYSA-N 1 1 393.350 4.167 20 0 GIADMO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cc(F)ccc3C)CC2)cs1 ZINC000180214300 822640884 /nfs/dbraw/zinc/64/08/84/822640884.db2.gz NVKYQYUUJGHBCB-MRXNPFEDSA-N 1 1 377.529 4.006 20 0 GIADMO CCC(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000048168606 822641807 /nfs/dbraw/zinc/64/18/07/822641807.db2.gz PCUBQMCFPRWZPU-HXUWFJFHSA-N 1 1 399.922 4.255 20 0 GIADMO COc1ccc(S[C@@H](C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000048182951 822642854 /nfs/dbraw/zinc/64/28/54/822642854.db2.gz VXMIVUTWAGGRSB-QFBILLFUSA-N 1 1 388.533 4.112 20 0 GIADMO CC[C@@H](CNC(=O)c1sccc1Br)[N@H+]1CCc2ccccc2C1 ZINC000048188642 822643671 /nfs/dbraw/zinc/64/36/71/822643671.db2.gz XFSJDMQQZNIMAT-HNNXBMFYSA-N 1 1 393.350 4.077 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(Br)c3Cl)C2)C1 ZINC000455389909 822645233 /nfs/dbraw/zinc/64/52/33/822645233.db2.gz AEOWTNUNXIHNII-MRXNPFEDSA-N 1 1 386.721 4.052 20 0 GIADMO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184495661 822645502 /nfs/dbraw/zinc/64/55/02/822645502.db2.gz VSCRSNAGCAUNSY-HNNXBMFYSA-N 1 1 380.579 4.264 20 0 GIADMO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2nc3c(s2)CCCC3)c2ccc(F)cc2C1 ZINC000184510237 822647802 /nfs/dbraw/zinc/64/78/02/822647802.db2.gz DJTCIXCFSMZCBP-FZKQIMNGSA-N 1 1 387.524 4.305 20 0 GIADMO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000184515778 822648829 /nfs/dbraw/zinc/64/88/29/822648829.db2.gz ZWYOCANUODEXJH-INIZCTEOSA-N 1 1 395.528 4.128 20 0 GIADMO CCC(=O)Nc1ccc(C)c(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000048256717 822649155 /nfs/dbraw/zinc/64/91/55/822649155.db2.gz FCBKZMNAQFTXML-CALCHBBNSA-N 1 1 388.556 4.223 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000048267777 822649878 /nfs/dbraw/zinc/64/98/78/822649878.db2.gz VRXFRZSGBBVONC-KDURUIRLSA-N 1 1 383.536 4.067 20 0 GIADMO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1F ZINC000184520525 822650000 /nfs/dbraw/zinc/65/00/00/822650000.db2.gz UYICNSUIQNZPBV-HNNXBMFYSA-N 1 1 383.492 4.225 20 0 GIADMO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184533832 822652541 /nfs/dbraw/zinc/65/25/41/822652541.db2.gz KQWXMPFHTTZXMH-QGZVFWFLSA-N 1 1 379.529 4.428 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCSCc2ccccn2)cc1 ZINC000048323260 822653645 /nfs/dbraw/zinc/65/36/45/822653645.db2.gz VXBNWELHIRKQRG-IBGZPJMESA-N 1 1 397.588 4.396 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCSCc2ccccn2)C1 ZINC000048323684 822653867 /nfs/dbraw/zinc/65/38/67/822653867.db2.gz CSDQAFFEWYLGJM-LJQANCHMSA-N 1 1 397.588 4.253 20 0 GIADMO CCOc1ccc2cc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)[nH]c2c1 ZINC000048361525 822656232 /nfs/dbraw/zinc/65/62/32/822656232.db2.gz YAWSYRKKDLKPLL-UHFFFAOYSA-N 1 1 395.478 4.054 20 0 GIADMO CCOc1ccc2cc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)[nH]c2c1 ZINC000048361525 822656234 /nfs/dbraw/zinc/65/62/34/822656234.db2.gz YAWSYRKKDLKPLL-UHFFFAOYSA-N 1 1 395.478 4.054 20 0 GIADMO CC(=O)Nc1cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)ccc1C ZINC000048362756 822656479 /nfs/dbraw/zinc/65/64/79/822656479.db2.gz RQQSDEZREKWOPB-IBGZPJMESA-N 1 1 388.899 4.031 20 0 GIADMO Cc1c2cc(Cl)ccc2sc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455452978 822657268 /nfs/dbraw/zinc/65/72/68/822657268.db2.gz JQALIYDMMWDJDF-GOOCMWNKSA-N 1 1 377.941 4.288 20 0 GIADMO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180298808 822659042 /nfs/dbraw/zinc/65/90/42/822659042.db2.gz OOEUGPKCNOSBLH-HSZRJFAPSA-N 1 1 380.511 4.279 20 0 GIADMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(Cc2ccccc2)n1 ZINC000180299993 822659402 /nfs/dbraw/zinc/65/94/02/822659402.db2.gz WOPCCZVLNIKILJ-AZUAARDMSA-N 1 1 395.551 4.014 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180302747 822660201 /nfs/dbraw/zinc/66/02/01/822660201.db2.gz OEJCVUJTMRHLBC-OAQYLSRUSA-N 1 1 379.483 4.439 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2-n2nccc2C)CC1 ZINC000184584311 822661372 /nfs/dbraw/zinc/66/13/72/822661372.db2.gz PETXDWHOSDCCDM-UHFFFAOYSA-N 1 1 383.540 4.157 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc(-c3ncco3)c2C)c1 ZINC000455489832 822664792 /nfs/dbraw/zinc/66/47/92/822664792.db2.gz MPNZJAWHLACJMO-UHFFFAOYSA-N 1 1 378.476 4.423 20 0 GIADMO C[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000048479697 822666445 /nfs/dbraw/zinc/66/64/45/822666445.db2.gz AJEBUPVFJYHLHI-MSOLQXFVSA-N 1 1 394.519 4.181 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000180353485 822668774 /nfs/dbraw/zinc/66/87/74/822668774.db2.gz CMPRTUVLKFQKGL-RDTXWAMCSA-N 1 1 389.931 4.028 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000048509193 822668804 /nfs/dbraw/zinc/66/88/04/822668804.db2.gz BVBFSNBFUBXAGE-SFHVURJKSA-N 1 1 392.503 4.285 20 0 GIADMO Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000455530994 822671265 /nfs/dbraw/zinc/67/12/65/822671265.db2.gz RZFWZGAKHFASFF-HXUWFJFHSA-N 1 1 380.536 4.429 20 0 GIADMO Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000180379187 822672592 /nfs/dbraw/zinc/67/25/92/822672592.db2.gz VQTRLOCRKZNHCR-QHCPKHFHSA-N 1 1 393.531 4.189 20 0 GIADMO Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000180379208 822672719 /nfs/dbraw/zinc/67/27/19/822672719.db2.gz VQTRLOCRKZNHCR-HSZRJFAPSA-N 1 1 393.531 4.189 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000184672052 822673585 /nfs/dbraw/zinc/67/35/85/822673585.db2.gz XBQMATSWGULTAL-DYESRHJHSA-N 1 1 396.560 4.245 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(C)n(-c3ccc(C)cc3)n2)CC1 ZINC000180393091 822674863 /nfs/dbraw/zinc/67/48/63/822674863.db2.gz JOBATNLCFKYNFF-UHFFFAOYSA-N 1 1 382.552 4.073 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(F)cc(F)c2F)[C@@H]1c1cccs1 ZINC000455567795 822675932 /nfs/dbraw/zinc/67/59/32/822675932.db2.gz PIFXCPDEZOWSNU-PIGZYNQJSA-N 1 1 383.439 4.370 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(F)cc(F)c1F ZINC000455568113 822675956 /nfs/dbraw/zinc/67/59/56/822675956.db2.gz QBKBHTSUWQTSBG-GUYCJALGSA-N 1 1 377.410 4.136 20 0 GIADMO CC(C)N1CCC([NH2+][C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000180402122 822675992 /nfs/dbraw/zinc/67/59/92/822675992.db2.gz CDIVQVCGNQKUAS-YLJYHZDGSA-N 1 1 378.532 4.297 20 0 GIADMO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2SC(C)C)C1 ZINC000180410982 822677320 /nfs/dbraw/zinc/67/73/20/822677320.db2.gz VDAUTTDLDSAYDB-OAHLLOKOSA-N 1 1 399.398 4.298 20 0 GIADMO COc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)c(OC)c1OC ZINC000048741567 822680555 /nfs/dbraw/zinc/68/05/55/822680555.db2.gz RVBITBWGCFIDRW-UHFFFAOYSA-N 1 1 398.434 4.329 20 0 GIADMO CCc1nc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)cs1 ZINC000184715104 822680846 /nfs/dbraw/zinc/68/08/46/822680846.db2.gz ZFVVXVAFCSWDTN-ZYHUDNBSSA-N 1 1 375.321 4.103 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1OCC(=O)NC ZINC000048750080 822681163 /nfs/dbraw/zinc/68/11/63/822681163.db2.gz MAUZXIOLNKCGOY-QGZVFWFLSA-N 1 1 381.303 4.359 20 0 GIADMO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)cc1OC ZINC000184719854 822681546 /nfs/dbraw/zinc/68/15/46/822681546.db2.gz GSIZFHCMHDFWEE-OAHLLOKOSA-N 1 1 398.507 4.422 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)ccc1OCC(C)C ZINC000184719732 822681598 /nfs/dbraw/zinc/68/15/98/822681598.db2.gz SJEIRCNGSFACLS-OAHLLOKOSA-N 1 1 398.507 4.278 20 0 GIADMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Br)CC2)C1 ZINC000180437258 822681758 /nfs/dbraw/zinc/68/17/58/822681758.db2.gz BVXHGBMCKNJVIE-AWEZNQCLSA-N 1 1 397.332 4.059 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H]1C ZINC000455600725 822681903 /nfs/dbraw/zinc/68/19/03/822681903.db2.gz RINAXJLIOSJESC-TZMCWYRMSA-N 1 1 395.345 4.058 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)cc1 ZINC000048786252 822683110 /nfs/dbraw/zinc/68/31/10/822683110.db2.gz OOXJIPYTFJFOIO-LBPRGKRZSA-N 1 1 378.266 4.080 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000455609105 822683818 /nfs/dbraw/zinc/68/38/18/822683818.db2.gz KIXMIKGJNBNODI-MRXNPFEDSA-N 1 1 383.458 4.079 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000048810659 822683907 /nfs/dbraw/zinc/68/39/07/822683907.db2.gz UYPWCBMHCPMKJA-UHFFFAOYSA-N 1 1 394.302 4.412 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000048810659 822683909 /nfs/dbraw/zinc/68/39/09/822683909.db2.gz UYPWCBMHCPMKJA-UHFFFAOYSA-N 1 1 394.302 4.412 20 0 GIADMO Cc1ccc2c(n1)OCCN2C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000180448757 822684080 /nfs/dbraw/zinc/68/40/80/822684080.db2.gz LDRQQUNOGGIZTO-UHFFFAOYSA-N 1 1 387.483 4.061 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)Nc2cc(C)c3nccn3c2)CC1)CC1CC1 ZINC000455614444 822684632 /nfs/dbraw/zinc/68/46/32/822684632.db2.gz CTBWNLBSJWGFIS-UHFFFAOYSA-N 1 1 383.540 4.009 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455615205 822684745 /nfs/dbraw/zinc/68/47/45/822684745.db2.gz FXGFIFFFYYWHHS-NFBKMPQASA-N 1 1 399.485 4.300 20 0 GIADMO O=C(Nc1cccc(C2CC2)n1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455623798 822685925 /nfs/dbraw/zinc/68/59/25/822685925.db2.gz WYURTGCLOCXWKD-IFMALSPDSA-N 1 1 390.531 4.477 20 0 GIADMO CCCN(Cc1ccccc1Br)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455624927 822686107 /nfs/dbraw/zinc/68/61/07/822686107.db2.gz WXVFWHZWVJELFK-UHFFFAOYSA-N 1 1 396.373 4.245 20 0 GIADMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000180461163 822686206 /nfs/dbraw/zinc/68/62/06/822686206.db2.gz KYNASWNYCXTMLD-QGZVFWFLSA-N 1 1 397.360 4.411 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)C2)C1 ZINC000455631880 822686997 /nfs/dbraw/zinc/68/69/97/822686997.db2.gz AICBDPZZVAPFMH-MRXNPFEDSA-N 1 1 391.821 4.188 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000184776117 822689312 /nfs/dbraw/zinc/68/93/12/822689312.db2.gz XIQKUEPLTSRKFK-NQSCKRDGSA-N 1 1 381.495 4.042 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(Cl)cn1 ZINC000180490994 822690578 /nfs/dbraw/zinc/69/05/78/822690578.db2.gz DYTDBPCTSRAHAJ-INIZCTEOSA-N 1 1 386.927 4.109 20 0 GIADMO C[C@@H](CNC(=O)NCc1cccc(COCc2ccco2)c1)[N@H+]1CCCC[C@@H]1C ZINC000049038782 822691571 /nfs/dbraw/zinc/69/15/71/822691571.db2.gz AGBSSOQFCNCWDY-OALUTQOASA-N 1 1 399.535 4.059 20 0 GIADMO Fc1cccc(Br)c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000180503164 822692038 /nfs/dbraw/zinc/69/20/38/822692038.db2.gz CAUFKVNJBMFHJF-ZDUSSCGKSA-N 1 1 389.272 4.011 20 0 GIADMO Fc1cccc(Br)c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000180503164 822692040 /nfs/dbraw/zinc/69/20/40/822692040.db2.gz CAUFKVNJBMFHJF-ZDUSSCGKSA-N 1 1 389.272 4.011 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455656900 822692736 /nfs/dbraw/zinc/69/27/36/822692736.db2.gz CDSVNVSCVMYMPT-DENIHFKCSA-N 1 1 393.531 4.319 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1c[nH]nc1-c1cccnc1)c1cccs1 ZINC000180509410 822693760 /nfs/dbraw/zinc/69/37/60/822693760.db2.gz ZZIQQHZNIAHYJD-OALUTQOASA-N 1 1 382.533 4.402 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000180511043 822694194 /nfs/dbraw/zinc/69/41/94/822694194.db2.gz AVNNARVTPVPBRC-IBGZPJMESA-N 1 1 386.515 4.130 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000180513501 822694416 /nfs/dbraw/zinc/69/44/16/822694416.db2.gz KQYXZUSGBPDLAQ-YADHBBJMSA-N 1 1 393.531 4.006 20 0 GIADMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000180513501 822694417 /nfs/dbraw/zinc/69/44/17/822694417.db2.gz KQYXZUSGBPDLAQ-YADHBBJMSA-N 1 1 393.531 4.006 20 0 GIADMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000180513501 822694419 /nfs/dbraw/zinc/69/44/19/822694419.db2.gz KQYXZUSGBPDLAQ-YADHBBJMSA-N 1 1 393.531 4.006 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)c(Br)cc2C)[C@H](C)C1 ZINC000184838688 822698160 /nfs/dbraw/zinc/69/81/60/822698160.db2.gz CHODDXFJRBXLDA-MLGOLLRUSA-N 1 1 386.309 4.091 20 0 GIADMO CN(C)C1(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCOCC1 ZINC000180543765 822699496 /nfs/dbraw/zinc/69/94/96/822699496.db2.gz PSNUARPZKLFUSY-HXUWFJFHSA-N 1 1 390.474 4.078 20 0 GIADMO Cc1oc(-c2ccco2)nc1CC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184850235 822699985 /nfs/dbraw/zinc/69/99/85/822699985.db2.gz QHSWNBZFYFZCCC-HXUWFJFHSA-N 1 1 395.503 4.058 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000180549432 822700380 /nfs/dbraw/zinc/70/03/80/822700380.db2.gz MSAIVBBYUQWVKI-MRXNPFEDSA-N 1 1 388.792 4.379 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1cc(F)ccc1F ZINC000180555699 822701650 /nfs/dbraw/zinc/70/16/50/822701650.db2.gz WZVWQGDTDAKLFN-OAHLLOKOSA-N 1 1 376.300 4.326 20 0 GIADMO Cc1nc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(-c2ccccc2)o1 ZINC000184863208 822702554 /nfs/dbraw/zinc/70/25/54/822702554.db2.gz JLHLEDUSEWLVJH-HKUYNNGSSA-N 1 1 381.520 4.377 20 0 GIADMO CCC[C@H]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180566526 822703562 /nfs/dbraw/zinc/70/35/62/822703562.db2.gz DOWOOILKFLNWHO-NHAYFPRASA-N 1 1 396.934 4.183 20 0 GIADMO CN(Cc1ccccc1F)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180568392 822703976 /nfs/dbraw/zinc/70/39/76/822703976.db2.gz DAAUNHQCUFKSRL-QGZVFWFLSA-N 1 1 386.364 4.207 20 0 GIADMO CCOc1ccccc1NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180569589 822704197 /nfs/dbraw/zinc/70/41/97/822704197.db2.gz RSJZOIWLQVVAII-MRXNPFEDSA-N 1 1 384.373 4.446 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)NCc1cc(F)cc(F)c1 ZINC000180570760 822704275 /nfs/dbraw/zinc/70/42/75/822704275.db2.gz TUORGRWPQDXHIM-INIZCTEOSA-N 1 1 390.327 4.003 20 0 GIADMO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180572720 822704643 /nfs/dbraw/zinc/70/46/43/822704643.db2.gz VXGVAGUDDNPBOC-GUYCJALGSA-N 1 1 398.400 4.295 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455696161 822704781 /nfs/dbraw/zinc/70/47/81/822704781.db2.gz OCGPCRRQNXUQGM-MSOLQXFVSA-N 1 1 384.911 4.029 20 0 GIADMO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180573618 822704863 /nfs/dbraw/zinc/70/48/63/822704863.db2.gz SVMOLQFZIRUZEO-KRWDZBQOSA-N 1 1 398.400 4.076 20 0 GIADMO Cn1cc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c(C2CCCCC2)n1 ZINC000455707253 822708721 /nfs/dbraw/zinc/70/87/21/822708721.db2.gz FAOHDUXUKRVRGV-UHFFFAOYSA-N 1 1 395.551 4.038 20 0 GIADMO C[N@H+]1CCCC[C@H]1CCSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000049775735 822708844 /nfs/dbraw/zinc/70/88/44/822708844.db2.gz BUUGILRYVHJHJH-FQEVSTJZSA-N 1 1 393.560 4.355 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N(C)[C@H]1CCCc2ccccc21)[NH+](C)C ZINC000049789619 822709419 /nfs/dbraw/zinc/70/94/19/822709419.db2.gz YRNTYMHRCGXQSM-LEWJYISDSA-N 1 1 381.520 4.017 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2OCCF)C1 ZINC000455709533 822709453 /nfs/dbraw/zinc/70/94/53/822709453.db2.gz CJPFVERYFDOMHQ-ZWKOTPCHSA-N 1 1 377.504 4.153 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000049789539 822709523 /nfs/dbraw/zinc/70/95/23/822709523.db2.gz NKPVNFMJACOCIG-VQIMIIECSA-N 1 1 395.503 4.447 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455711179 822709790 /nfs/dbraw/zinc/70/97/90/822709790.db2.gz BBDHWAALRNAWLZ-KRWDZBQOSA-N 1 1 383.540 4.110 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180603992 822710052 /nfs/dbraw/zinc/71/00/52/822710052.db2.gz YXOOCBLSRXCLQR-CTNGQTDRSA-N 1 1 383.467 4.309 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccn2)c1)c1ccco1 ZINC000180604842 822710381 /nfs/dbraw/zinc/71/03/81/822710381.db2.gz DYMAHLGDDVHPBH-IRLDBZIGSA-N 1 1 378.472 4.342 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2ccccn2)c1)c1ccco1 ZINC000180604862 822710396 /nfs/dbraw/zinc/71/03/96/822710396.db2.gz DYMAHLGDDVHPBH-UNMCSNQZSA-N 1 1 378.472 4.342 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1OCC ZINC000049944266 822712051 /nfs/dbraw/zinc/71/20/51/822712051.db2.gz GCCRYBPFMIRDRQ-INIZCTEOSA-N 1 1 394.899 4.153 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2cc(Cl)nc(Cl)c2)C2CC2)cc1 ZINC000049983295 822713155 /nfs/dbraw/zinc/71/31/55/822713155.db2.gz TVTYVJOJLOMFNX-UHFFFAOYSA-N 1 1 390.314 4.445 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2cc(Cl)nc(Cl)c2)C2CC2)cc1 ZINC000049983295 822713157 /nfs/dbraw/zinc/71/31/57/822713157.db2.gz TVTYVJOJLOMFNX-UHFFFAOYSA-N 1 1 390.314 4.445 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccccc1N1CCCC1 ZINC000050051059 822716100 /nfs/dbraw/zinc/71/61/00/822716100.db2.gz SEACKROPUHYSOV-GOSISDBHSA-N 1 1 398.576 4.382 20 0 GIADMO Cc1cc(N(C)C)ccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050055587 822716301 /nfs/dbraw/zinc/71/63/01/822716301.db2.gz MCRNJKSUAMHIHD-KRWDZBQOSA-N 1 1 386.565 4.156 20 0 GIADMO Cc1cc2ccccc2c(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000455734152 822716783 /nfs/dbraw/zinc/71/67/83/822716783.db2.gz GORSINNVIUWMIB-UHFFFAOYSA-N 1 1 389.503 4.346 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](CC(C)C)c2cccs2)cn1 ZINC000050140529 822720189 /nfs/dbraw/zinc/72/01/89/822720189.db2.gz SNHQEXBIQVYYLU-KRWDZBQOSA-N 1 1 383.521 4.224 20 0 GIADMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)c1nnnn1-c1ccccc1 ZINC000184980687 822721316 /nfs/dbraw/zinc/72/13/16/822721316.db2.gz VMYMULPPPQLCGP-APWZRJJASA-N 1 1 375.501 4.358 20 0 GIADMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)NCCc1ccc(F)cc1 ZINC000050273359 822723266 /nfs/dbraw/zinc/72/32/66/822723266.db2.gz LEYLTKDVTDKKBH-NRFANRHFSA-N 1 1 386.467 4.064 20 0 GIADMO CC(C)Oc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000455779003 822725112 /nfs/dbraw/zinc/72/51/12/822725112.db2.gz IDZNUAQKFQYSGL-SFTDATJTSA-N 1 1 393.531 4.460 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1C(C)(F)F)[NH+](C)C ZINC000455784545 822726225 /nfs/dbraw/zinc/72/62/25/822726225.db2.gz CWXJYQIZICSXMN-QGZVFWFLSA-N 1 1 377.435 4.231 20 0 GIADMO O=C(NC1CC1)[C@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000185038849 822728063 /nfs/dbraw/zinc/72/80/63/822728063.db2.gz YQPMHCXESMBHQI-LJQANCHMSA-N 1 1 398.304 4.040 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)ccc1OCCC(C)C ZINC000185051663 822729610 /nfs/dbraw/zinc/72/96/10/822729610.db2.gz PQKDEWTYNPHZDR-INIZCTEOSA-N 1 1 398.507 4.359 20 0 GIADMO CC(F)(F)c1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000455808476 822730199 /nfs/dbraw/zinc/73/01/99/822730199.db2.gz NMZKLRDPDLLMSR-SFHVURJKSA-N 1 1 387.474 4.484 20 0 GIADMO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185061447 822731065 /nfs/dbraw/zinc/73/10/65/822731065.db2.gz LYJMREOUYGMPCS-CRAIPNDOSA-N 1 1 399.466 4.090 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)C(C)C)cc3)CC2)[nH+]c1 ZINC000455814743 822731258 /nfs/dbraw/zinc/73/12/58/822731258.db2.gz IUCUABHWGJTVHX-UHFFFAOYSA-N 1 1 380.492 4.019 20 0 GIADMO C[C@H](c1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1)C(F)(F)F ZINC000455827771 822732940 /nfs/dbraw/zinc/73/29/40/822732940.db2.gz SIQXVSOPMVDNEU-CYBMUJFWSA-N 1 1 393.409 4.105 20 0 GIADMO CCCn1ncc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C1CC1 ZINC000455836606 822734306 /nfs/dbraw/zinc/73/43/06/822734306.db2.gz USFPBBBDQNVPDK-APWZRJJASA-N 1 1 381.524 4.128 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1scnc1C(C)C ZINC000455852225 822737090 /nfs/dbraw/zinc/73/70/90/822737090.db2.gz VLXPGHXZKKHPSE-KRWDZBQOSA-N 1 1 387.553 4.180 20 0 GIADMO CC(C)c1ncsc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455869070 822739867 /nfs/dbraw/zinc/73/98/67/822739867.db2.gz QOFRAPFUXCTWLK-QZTJIDSGSA-N 1 1 384.549 4.252 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)c2cn(C)c3ccccc23)cc1F ZINC000185124574 822740105 /nfs/dbraw/zinc/74/01/05/822740105.db2.gz MAHCWYPCCKNPMQ-HNNXBMFYSA-N 1 1 390.462 4.231 20 0 GIADMO CCCN(CCc1cccs1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185129530 822740676 /nfs/dbraw/zinc/74/06/76/822740676.db2.gz PGKOHWDHLQXCDF-MSOLQXFVSA-N 1 1 377.598 4.365 20 0 GIADMO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000051002908 822743947 /nfs/dbraw/zinc/74/39/47/822743947.db2.gz UAXWMCMTTIPQOR-SFHVURJKSA-N 1 1 387.568 4.110 20 0 GIADMO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000051002908 822743950 /nfs/dbraw/zinc/74/39/50/822743950.db2.gz UAXWMCMTTIPQOR-SFHVURJKSA-N 1 1 387.568 4.110 20 0 GIADMO Brc1ccc(Br)c(C[NH2+]Cc2cnn3ccccc23)c1 ZINC000185157414 822744017 /nfs/dbraw/zinc/74/40/17/822744017.db2.gz ZEJGKIXKNOPMBV-UHFFFAOYSA-N 1 1 395.098 4.149 20 0 GIADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000051054410 822745027 /nfs/dbraw/zinc/74/50/27/822745027.db2.gz CQNRFEHCCUHGTI-JENIJYKNSA-N 1 1 384.524 4.123 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000051050978 822745140 /nfs/dbraw/zinc/74/51/40/822745140.db2.gz STIIQYQTKWLJKD-MJGOQNOKSA-N 1 1 385.577 4.251 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000051050978 822745142 /nfs/dbraw/zinc/74/51/42/822745142.db2.gz STIIQYQTKWLJKD-MJGOQNOKSA-N 1 1 385.577 4.251 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000185169988 822745144 /nfs/dbraw/zinc/74/51/44/822745144.db2.gz QDEVSJKEBKFOQJ-FQEVSTJZSA-N 1 1 388.552 4.125 20 0 GIADMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000051062035 822745764 /nfs/dbraw/zinc/74/57/64/822745764.db2.gz XHRZOMLFAYPJIE-INIZCTEOSA-N 1 1 375.513 4.078 20 0 GIADMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000051117800 822746698 /nfs/dbraw/zinc/74/66/98/822746698.db2.gz ZXJNNWJDIQUIIE-MSOLQXFVSA-N 1 1 384.501 4.184 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H](CNCc1csc(-c2ccccn2)n1)C1CC1 ZINC000185222826 822751065 /nfs/dbraw/zinc/75/10/65/822751065.db2.gz VWSPPEOGFDFZQI-NRFANRHFSA-N 1 1 378.545 4.205 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000051283808 822754182 /nfs/dbraw/zinc/75/41/82/822754182.db2.gz SNTSVEALRXJPTD-SFHVURJKSA-N 1 1 388.895 4.441 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000051283808 822754183 /nfs/dbraw/zinc/75/41/83/822754183.db2.gz SNTSVEALRXJPTD-SFHVURJKSA-N 1 1 388.895 4.441 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(COC(C)(C)C)on3)cc2)C1 ZINC000185245919 822754240 /nfs/dbraw/zinc/75/42/40/822754240.db2.gz OHCRITGMSINFMH-MRXNPFEDSA-N 1 1 385.508 4.474 20 0 GIADMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000185245938 822754244 /nfs/dbraw/zinc/75/42/44/822754244.db2.gz YPJNMIFNDYZAJP-KRWDZBQOSA-N 1 1 386.511 4.237 20 0 GIADMO COc1ccc(C[C@@H](C)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1F ZINC000185254876 822755197 /nfs/dbraw/zinc/75/51/97/822755197.db2.gz ZQXATVHJXXFXHK-MRXNPFEDSA-N 1 1 398.478 4.028 20 0 GIADMO CCOc1cc(C[N@@H+](C)C[C@@H](O)c2c(F)cccc2F)ccc1OC(F)F ZINC000051323856 822756070 /nfs/dbraw/zinc/75/60/70/822756070.db2.gz ODEMBHDBZXMRKC-OAHLLOKOSA-N 1 1 387.373 4.130 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1cnc(-c2ccccc2Cl)s1)c1ccco1 ZINC000051340306 822757127 /nfs/dbraw/zinc/75/71/27/822757127.db2.gz OMVXKLZZSJWSDB-AWEZNQCLSA-N 1 1 375.881 4.089 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CC[C@H]21 ZINC000455967914 822758769 /nfs/dbraw/zinc/75/87/69/822758769.db2.gz IQZOADGNUWGKHI-XHDPSFHLSA-N 1 1 386.721 4.051 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CC[C@@H]21 ZINC000455967903 822758776 /nfs/dbraw/zinc/75/87/76/822758776.db2.gz IQZOADGNUWGKHI-ABAIWWIYSA-N 1 1 386.721 4.051 20 0 GIADMO Cc1ncc(C[N@@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000051408092 822758801 /nfs/dbraw/zinc/75/88/01/822758801.db2.gz CIMDZJSEYZLYGP-JTHBVZDNSA-N 1 1 396.556 4.359 20 0 GIADMO Cc1ncc(C[N@@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)s1 ZINC000051408102 822758963 /nfs/dbraw/zinc/75/89/63/822758963.db2.gz JMPFIQKHDWOCOV-REWPJTCUSA-N 1 1 396.556 4.359 20 0 GIADMO O=C(Nc1ccc2cnccc2c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455969048 822759021 /nfs/dbraw/zinc/75/90/21/822759021.db2.gz KPBZDPHZZZXQEY-XMMPIXPASA-N 1 1 386.499 4.365 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N(Cc2ccco2)c2ccccc2)C2CC2)s1 ZINC000185285752 822759691 /nfs/dbraw/zinc/75/96/91/822759691.db2.gz DNLSXVDIIMYCPR-FQEVSTJZSA-N 1 1 381.501 4.319 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455976231 822760400 /nfs/dbraw/zinc/76/04/00/822760400.db2.gz WKMDTTHHAFDVQH-OAHLLOKOSA-N 1 1 397.704 4.304 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000051454322 822760583 /nfs/dbraw/zinc/76/05/83/822760583.db2.gz JPBXNHCHACDCKP-MRXNPFEDSA-N 1 1 396.487 4.101 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000051454322 822760585 /nfs/dbraw/zinc/76/05/85/822760585.db2.gz JPBXNHCHACDCKP-MRXNPFEDSA-N 1 1 396.487 4.101 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051452265 822760600 /nfs/dbraw/zinc/76/06/00/822760600.db2.gz UKKCHLQTUNRMRL-LJQANCHMSA-N 1 1 394.437 4.398 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051452265 822760603 /nfs/dbraw/zinc/76/06/03/822760603.db2.gz UKKCHLQTUNRMRL-LJQANCHMSA-N 1 1 394.437 4.398 20 0 GIADMO COc1cc(CCC2CC[NH+](Cc3nnc(C(C)(C)C)o3)CC2)cc(OC)c1 ZINC000051508520 822763314 /nfs/dbraw/zinc/76/33/14/822763314.db2.gz CHDSKGCQUQIFQG-UHFFFAOYSA-N 1 1 387.524 4.229 20 0 GIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)/C(C)=C/C(C)(C)C)CC2)c1C ZINC000185313122 822764074 /nfs/dbraw/zinc/76/40/74/822764074.db2.gz QKWNPQYNDKPSCU-DTQAZKPQSA-N 1 1 387.568 4.122 20 0 GIADMO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455998670 822764153 /nfs/dbraw/zinc/76/41/53/822764153.db2.gz QZYIDWCDBKCBCR-ZKMOHVOUSA-N 1 1 382.935 4.470 20 0 GIADMO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000051531152 822764258 /nfs/dbraw/zinc/76/42/58/822764258.db2.gz YXOAKJSGFUKEMM-KKSFZXQISA-N 1 1 384.545 4.181 20 0 GIADMO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000051531385 822764566 /nfs/dbraw/zinc/76/45/66/822764566.db2.gz SPROYLKYEOXCQL-IERDGZPVSA-N 1 1 384.545 4.181 20 0 GIADMO C[C@H](c1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1)C(F)(F)F ZINC000456003442 822765201 /nfs/dbraw/zinc/76/52/01/822765201.db2.gz VTEOIXSWVSBTLZ-CQSZACIVSA-N 1 1 379.426 4.181 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCCC3)cc2)C2CC2)s1 ZINC000185335413 822767625 /nfs/dbraw/zinc/76/76/25/822767625.db2.gz VJFQKIMJXQHUKE-FQEVSTJZSA-N 1 1 384.549 4.121 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)C2CC2)s1 ZINC000185338943 822768151 /nfs/dbraw/zinc/76/81/51/822768151.db2.gz NFFSQJUGYIBIFU-ORAYPTAESA-N 1 1 387.574 4.410 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)s1 ZINC000185344777 822768812 /nfs/dbraw/zinc/76/88/12/822768812.db2.gz RHYZKMNUBDWRLN-QFBILLFUSA-N 1 1 382.533 4.136 20 0 GIADMO CCOc1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000456036508 822769340 /nfs/dbraw/zinc/76/93/40/822769340.db2.gz BMADULXFHSDHIX-UHFFFAOYSA-N 1 1 393.940 4.354 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C2CC2)s1 ZINC000185355018 822770422 /nfs/dbraw/zinc/77/04/22/822770422.db2.gz WJYORLHNAKQSAN-RBUKOAKNSA-N 1 1 375.513 4.145 20 0 GIADMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000174340149 822774666 /nfs/dbraw/zinc/77/46/66/822774666.db2.gz RHVAPBSUFYKAOD-GHMZBOCLSA-N 1 1 386.315 4.198 20 0 GIADMO C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000174380048 822781067 /nfs/dbraw/zinc/78/10/67/822781067.db2.gz OPLZOWSVULZDIV-CVDCTZTESA-N 1 1 388.515 4.277 20 0 GIADMO COc1ccc(-c2nc(CN(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)co2)cc1 ZINC000174396469 822784002 /nfs/dbraw/zinc/78/40/02/822784002.db2.gz KOIXGGCRGQVVGR-FQEVSTJZSA-N 1 1 391.515 4.304 20 0 GIADMO COc1ccc2oc([C@@H](C)[NH2+]Cc3cc(-c4cnn(C)c4C)no3)c(C)c2c1 ZINC000185441726 822784348 /nfs/dbraw/zinc/78/43/48/822784348.db2.gz URBRHYXKILHGNR-CYBMUJFWSA-N 1 1 380.448 4.298 20 0 GIADMO COc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(C)c(C)c4)CC3)o2)cc1 ZINC000051992313 822786199 /nfs/dbraw/zinc/78/61/99/822786199.db2.gz OSWKOEZHKJVYRL-UHFFFAOYSA-N 1 1 393.487 4.405 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(OC)ccc1OC ZINC000174412226 822786632 /nfs/dbraw/zinc/78/66/32/822786632.db2.gz PPSFEMUEEBXTLZ-LJQANCHMSA-N 1 1 397.519 4.080 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cc(Br)ccc1O ZINC000185459146 822786922 /nfs/dbraw/zinc/78/69/22/822786922.db2.gz PGQFRORREXSXIG-LBPRGKRZSA-N 1 1 381.289 4.206 20 0 GIADMO C[C@H](CCNC(=O)c1cc(F)cc2[nH]c(=S)[nH]c21)[N@@H+](C)Cc1ccccc1 ZINC000174417398 822787290 /nfs/dbraw/zinc/78/72/90/822787290.db2.gz JGAHFIUBGGGCNZ-CYBMUJFWSA-N 1 1 386.496 4.005 20 0 GIADMO COc1ccc(-c2nc(C[NH+]3CCC(O)(c4ccccc4)CC3)cs2)cc1 ZINC000185464269 822787373 /nfs/dbraw/zinc/78/73/73/822787373.db2.gz QSJWGLUEPLOYDL-UHFFFAOYSA-N 1 1 380.513 4.302 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CC[C@@H](C)[C@@H]3c3cccc(F)c3)CC2)[nH+]c1 ZINC000174419425 822787615 /nfs/dbraw/zinc/78/76/15/822787615.db2.gz CGVADUDMJWOZHC-VGOFRKELSA-N 1 1 381.495 4.355 20 0 GIADMO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cc(O)cc(F)c3)c2)cc1 ZINC000185469013 822787764 /nfs/dbraw/zinc/78/77/64/822787764.db2.gz GCMXEGSBBTYCFG-UHFFFAOYSA-N 1 1 378.447 4.060 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2Oc2cccnc2)CC1 ZINC000052026080 822788188 /nfs/dbraw/zinc/78/81/88/822788188.db2.gz VZHDCDQELHCDMY-UHFFFAOYSA-N 1 1 387.483 4.140 20 0 GIADMO COc1ccc(-c2noc([C@H](C)N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2)cc1 ZINC000185483583 822789390 /nfs/dbraw/zinc/78/93/90/822789390.db2.gz XHXMEFFPBVLSOZ-CVEARBPZSA-N 1 1 398.532 4.247 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(F)c(OC)c(F)c2OC)cc1 ZINC000456250919 822790073 /nfs/dbraw/zinc/79/00/73/822790073.db2.gz LXXBPHCGJRMOKN-UHFFFAOYSA-N 1 1 392.446 4.466 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185492288 822790311 /nfs/dbraw/zinc/79/03/11/822790311.db2.gz HUUHUFWPDDNKJF-GJZGRUSLSA-N 1 1 377.941 4.107 20 0 GIADMO O=C(c1ccccc1F)N1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185493816 822790443 /nfs/dbraw/zinc/79/04/43/822790443.db2.gz BLUSLMJZPQUUNO-UHFFFAOYSA-N 1 1 386.433 4.342 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)cc1OC ZINC000174448743 822791047 /nfs/dbraw/zinc/79/10/47/822791047.db2.gz XVVQDKONDMATPE-IBGZPJMESA-N 1 1 397.519 4.080 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)c1OC ZINC000052162263 822791734 /nfs/dbraw/zinc/79/17/34/822791734.db2.gz ZTCGYQQGDHERKX-HNNXBMFYSA-N 1 1 390.911 4.009 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)c1OC ZINC000052162263 822791737 /nfs/dbraw/zinc/79/17/37/822791737.db2.gz ZTCGYQQGDHERKX-HNNXBMFYSA-N 1 1 390.911 4.009 20 0 GIADMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1ccccc1Cl ZINC000052275824 822795415 /nfs/dbraw/zinc/79/54/15/822795415.db2.gz IVYMIEDBZNGOBM-GOSISDBHSA-N 1 1 379.287 4.396 20 0 GIADMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1ccccc1Cl ZINC000052275824 822795418 /nfs/dbraw/zinc/79/54/18/822795418.db2.gz IVYMIEDBZNGOBM-GOSISDBHSA-N 1 1 379.287 4.396 20 0 GIADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(Cc2ccco2)CC1 ZINC000052282175 822795667 /nfs/dbraw/zinc/79/56/67/822795667.db2.gz CPLGPRFKLJXDAP-IBGZPJMESA-N 1 1 389.499 4.411 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000052302001 822795838 /nfs/dbraw/zinc/79/58/38/822795838.db2.gz AKEXJQMKIQXOGC-CVEARBPZSA-N 1 1 388.483 4.103 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000052302001 822795839 /nfs/dbraw/zinc/79/58/39/822795839.db2.gz AKEXJQMKIQXOGC-CVEARBPZSA-N 1 1 388.483 4.103 20 0 GIADMO CCN(Cc1cncc(Br)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486387 822795868 /nfs/dbraw/zinc/79/58/68/822795868.db2.gz NKQUDFCLRCPQNK-GOSISDBHSA-N 1 1 388.353 4.188 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000174495413 822796730 /nfs/dbraw/zinc/79/67/30/822796730.db2.gz AUOCLNOXQBPQBA-OAHLLOKOSA-N 1 1 390.478 4.260 20 0 GIADMO CC[C@](C)([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1nc(C)cs1 ZINC000174501555 822797537 /nfs/dbraw/zinc/79/75/37/822797537.db2.gz JXWGCBAWZXNWFA-INIZCTEOSA-N 1 1 383.311 4.358 20 0 GIADMO Cc1ccc(Sc2ncccc2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000456317113 822797804 /nfs/dbraw/zinc/79/78/04/822797804.db2.gz FZPFKUGMBHMEQB-AYHJJNSGSA-N 1 1 381.545 4.205 20 0 GIADMO CCCOc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC2CCCC2)c1 ZINC000456326595 822798666 /nfs/dbraw/zinc/79/86/66/822798666.db2.gz GAYPDACZSGAVJT-AYHJJNSGSA-N 1 1 386.536 4.152 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000174513802 822799458 /nfs/dbraw/zinc/79/94/58/822799458.db2.gz IKLGFUYSXMUJKE-UHFFFAOYSA-N 1 1 393.369 4.104 20 0 GIADMO C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCN1C ZINC000174516931 822799927 /nfs/dbraw/zinc/79/99/27/822799927.db2.gz BJGZHSHSGRNPJF-DYESRHJHSA-N 1 1 378.495 4.251 20 0 GIADMO C[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000174516931 822799930 /nfs/dbraw/zinc/79/99/30/822799930.db2.gz BJGZHSHSGRNPJF-DYESRHJHSA-N 1 1 378.495 4.251 20 0 GIADMO C[C@@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000174516931 822799931 /nfs/dbraw/zinc/79/99/31/822799931.db2.gz BJGZHSHSGRNPJF-DYESRHJHSA-N 1 1 378.495 4.251 20 0 GIADMO C[C@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)Cn1cccn1 ZINC000052461003 822800483 /nfs/dbraw/zinc/80/04/83/822800483.db2.gz NBIJKLNDGILWPJ-GOSISDBHSA-N 1 1 383.540 4.105 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccnc2SCC2CCCCC2)C1 ZINC000174523319 822800567 /nfs/dbraw/zinc/80/05/67/822800567.db2.gz NDDOJRRKUJEAPY-GOSISDBHSA-N 1 1 375.582 4.168 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCCCC(C)(C)CO)C1CCCCC1 ZINC000174525060 822800705 /nfs/dbraw/zinc/80/07/05/822800705.db2.gz ZGQHJDBRVWGPBX-UHFFFAOYSA-N 1 1 375.557 4.371 20 0 GIADMO C[C@H]1CN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456351901 822801271 /nfs/dbraw/zinc/80/12/71/822801271.db2.gz XIWAXOKFDHTJHK-NZSAHSFTSA-N 1 1 382.470 4.336 20 0 GIADMO C[C@H]1CN(C(=O)c2cnc(-c3ccsc3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456351861 822801317 /nfs/dbraw/zinc/80/13/17/822801317.db2.gz XEWSAJLWSYHNBD-MRXNPFEDSA-N 1 1 397.569 4.466 20 0 GIADMO C[C@H]1CN(C(=O)c2cccc([C@H]3CCCOC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456352566 822801433 /nfs/dbraw/zinc/80/14/33/822801433.db2.gz YERXNPCNJONZRQ-YKSBVNFPSA-N 1 1 392.543 4.175 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNc2nc(-c3ccncc3)nc3ccccc32)cn1 ZINC000052510465 822802094 /nfs/dbraw/zinc/80/20/94/822802094.db2.gz NLYMEMOYTFIAFT-UHFFFAOYSA-N 1 1 393.454 4.193 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)cs2)cc1 ZINC000174548875 822803845 /nfs/dbraw/zinc/80/38/45/822803845.db2.gz HGRBZVGQNNBYOY-KRWDZBQOSA-N 1 1 397.548 4.371 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nncn4C(C)C)C3)cs2)cc1 ZINC000174548875 822803848 /nfs/dbraw/zinc/80/38/48/822803848.db2.gz HGRBZVGQNNBYOY-KRWDZBQOSA-N 1 1 397.548 4.371 20 0 GIADMO COCCN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000456388621 822803825 /nfs/dbraw/zinc/80/38/25/822803825.db2.gz MEFYAEUAWAWMCI-LJQANCHMSA-N 1 1 381.520 4.173 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)N(Cc1ccccc1)C1CC1 ZINC000052612494 822805112 /nfs/dbraw/zinc/80/51/12/822805112.db2.gz AGJFNESCALALPL-LJQANCHMSA-N 1 1 389.499 4.198 20 0 GIADMO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000052612183 822805171 /nfs/dbraw/zinc/80/51/71/822805171.db2.gz MHSRMBIDSSREHW-ICSRJNTNSA-N 1 1 391.515 4.063 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000185643139 822806026 /nfs/dbraw/zinc/80/60/26/822806026.db2.gz YTKBZEOSVILBCL-UHFFFAOYSA-N 1 1 376.273 4.500 20 0 GIADMO CCn1c(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)nc2cc(F)ccc21 ZINC000185648395 822806473 /nfs/dbraw/zinc/80/64/73/822806473.db2.gz KHUAPJNYZVAEPI-NSHDSACASA-N 1 1 397.420 4.422 20 0 GIADMO COC(=O)c1oc([C@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1C ZINC000185652140 822806833 /nfs/dbraw/zinc/80/68/33/822806833.db2.gz MEODQHUTMGKZLD-WDEREUQCSA-N 1 1 387.402 4.162 20 0 GIADMO CCCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000052721774 822808503 /nfs/dbraw/zinc/80/85/03/822808503.db2.gz WPSJNKGBVRPMSK-SFHVURJKSA-N 1 1 395.547 4.185 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000174594069 822809553 /nfs/dbraw/zinc/80/95/53/822809553.db2.gz MLMUPVAWHTYODR-KRWDZBQOSA-N 1 1 391.519 4.370 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000174594069 822809557 /nfs/dbraw/zinc/80/95/57/822809557.db2.gz MLMUPVAWHTYODR-KRWDZBQOSA-N 1 1 391.519 4.370 20 0 GIADMO O=C(c1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1)N1CCCC1 ZINC000052866157 822813272 /nfs/dbraw/zinc/81/32/72/822813272.db2.gz VFRIDNSMOPPVPS-HSZRJFAPSA-N 1 1 378.516 4.104 20 0 GIADMO O=C(c1cccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1)N1CCCCC1 ZINC000052866879 822813321 /nfs/dbraw/zinc/81/33/21/822813321.db2.gz SUUNPHZRDFHGCC-DEOSSOPVSA-N 1 1 392.543 4.494 20 0 GIADMO CCc1cnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)s1 ZINC000174625075 822814062 /nfs/dbraw/zinc/81/40/62/822814062.db2.gz SFQARBQUVAWFDZ-UHFFFAOYSA-N 1 1 375.501 4.243 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC000174633426 822815140 /nfs/dbraw/zinc/81/51/40/822815140.db2.gz LFHJZHQFDSLMAZ-SFHVURJKSA-N 1 1 397.519 4.222 20 0 GIADMO C[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750216 822817409 /nfs/dbraw/zinc/81/74/09/822817409.db2.gz PPMYLQFPSJIPRQ-GDBMZVCRSA-N 1 1 375.463 4.362 20 0 GIADMO C[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751959 822817613 /nfs/dbraw/zinc/81/76/13/822817613.db2.gz UGFOIUUYCMUXQO-KGLIPLIRSA-N 1 1 384.351 4.175 20 0 GIADMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)Nc1ccc(F)cc1 ZINC000052993516 822817785 /nfs/dbraw/zinc/81/77/85/822817785.db2.gz CNDYJQLYIREHCP-UHFFFAOYSA-N 1 1 387.842 4.438 20 0 GIADMO CN(C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)c1ccccc1 ZINC000052993530 822817797 /nfs/dbraw/zinc/81/77/97/822817797.db2.gz BARHSPZOLNQWPT-UHFFFAOYSA-N 1 1 383.879 4.324 20 0 GIADMO CN1CC[NH+](CCOc2ccc(NCc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000174652910 822818146 /nfs/dbraw/zinc/81/81/46/822818146.db2.gz UMGLKTUHFXOWLO-UHFFFAOYSA-N 1 1 391.515 4.185 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H](C)CSc2ccc(C)cc2)cs1)C1CC1 ZINC000185798764 822822172 /nfs/dbraw/zinc/82/21/72/822822172.db2.gz AVDCMYRLEPRWGN-CQSZACIVSA-N 1 1 375.563 4.237 20 0 GIADMO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000185807512 822823144 /nfs/dbraw/zinc/82/31/44/822823144.db2.gz XRWWCRDTNLSLPX-HKUYNNGSSA-N 1 1 392.590 4.450 20 0 GIADMO Cc1ncc(C[N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)s1 ZINC000053145643 822823575 /nfs/dbraw/zinc/82/35/75/822823575.db2.gz OSGXFJZVULOGGJ-FQEVSTJZSA-N 1 1 385.558 4.241 20 0 GIADMO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(Cl)c(Br)c1)n2C ZINC000185838795 822826169 /nfs/dbraw/zinc/82/61/69/822826169.db2.gz RWJOBHNGXOKNOD-UHFFFAOYSA-N 1 1 394.700 4.288 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000053269856 822828496 /nfs/dbraw/zinc/82/84/96/822828496.db2.gz YNKRKLISDHSMGR-HNNXBMFYSA-N 1 1 389.908 4.398 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000053269938 822828553 /nfs/dbraw/zinc/82/85/53/822828553.db2.gz FRWUUUYNGBWZOA-OAHLLOKOSA-N 1 1 389.908 4.398 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccccc1COc1ccccc1 ZINC000053267459 822828600 /nfs/dbraw/zinc/82/86/00/822828600.db2.gz JGFBQONYSOEULG-UHFFFAOYSA-N 1 1 392.524 4.115 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccccc1COc1ccccc1 ZINC000053267459 822828603 /nfs/dbraw/zinc/82/86/03/822828603.db2.gz JGFBQONYSOEULG-UHFFFAOYSA-N 1 1 392.524 4.115 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)c1cn(C)c2ccccc12 ZINC000185893993 822830633 /nfs/dbraw/zinc/83/06/33/822830633.db2.gz NMJKRSDFRPBTFL-GOSISDBHSA-N 1 1 390.531 4.062 20 0 GIADMO COCC1=CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000185895406 822830889 /nfs/dbraw/zinc/83/08/89/822830889.db2.gz WQYVJBXEDFKDRN-UHFFFAOYSA-N 1 1 389.499 4.326 20 0 GIADMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000185898074 822831158 /nfs/dbraw/zinc/83/11/58/822831158.db2.gz PEADCLIMBZYPNM-JTQLQIEISA-N 1 1 399.130 4.382 20 0 GIADMO CCC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000053358969 822831674 /nfs/dbraw/zinc/83/16/74/822831674.db2.gz FVJUKXSTNKRXLJ-SFHVURJKSA-N 1 1 393.531 4.197 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1Br ZINC000174752087 822832400 /nfs/dbraw/zinc/83/24/00/822832400.db2.gz ZFMXMWDBKAXAFL-CVEARBPZSA-N 1 1 380.330 4.237 20 0 GIADMO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000185920315 822833574 /nfs/dbraw/zinc/83/35/74/822833574.db2.gz KSMUCLROXRBEOF-JQWIXIFHSA-N 1 1 394.846 4.296 20 0 GIADMO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1C)c1nc(C(F)(F)F)cs1 ZINC000185919672 822833587 /nfs/dbraw/zinc/83/35/87/822833587.db2.gz ZQNYWGCBYZSPNV-KGLIPLIRSA-N 1 1 388.455 4.259 20 0 GIADMO CC[C@@H]([NH2+]C[C@@H](O)COc1cc(C)ccc1C)c1nc(C(F)(F)F)cs1 ZINC000185928778 822834581 /nfs/dbraw/zinc/83/45/81/822834581.db2.gz HDYJIEQBXXTHAB-ZIAGYGMSSA-N 1 1 388.455 4.259 20 0 GIADMO CCc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cn2)c1 ZINC000174780600 822836081 /nfs/dbraw/zinc/83/60/81/822836081.db2.gz ROJZERUPOUODHQ-MOPGFXCFSA-N 1 1 380.492 4.137 20 0 GIADMO C[C@H](OCc1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000185957584 822837362 /nfs/dbraw/zinc/83/73/62/822837362.db2.gz CQBOEDVRPSNDAS-JTAQYXEDSA-N 1 1 380.532 4.103 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cl)s1 ZINC000174799693 822838840 /nfs/dbraw/zinc/83/88/40/822838840.db2.gz XLMQIZREEJJKSC-MRXNPFEDSA-N 1 1 377.941 4.065 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000174804751 822839583 /nfs/dbraw/zinc/83/95/83/822839583.db2.gz SMJFVWCERARXBL-FQEVSTJZSA-N 1 1 386.540 4.057 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000053539587 822839692 /nfs/dbraw/zinc/83/96/92/822839692.db2.gz IMRUFVLPDVRNJS-RDJZCZTQSA-N 1 1 388.606 4.128 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC[N@H+]1C ZINC000174809142 822840453 /nfs/dbraw/zinc/84/04/53/822840453.db2.gz OIMPVKWFBIMCMJ-IEBWSBKVSA-N 1 1 397.567 4.175 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000185983629 822840875 /nfs/dbraw/zinc/84/08/75/822840875.db2.gz QGGFTVAWJKDOFV-GOSISDBHSA-N 1 1 389.503 4.205 20 0 GIADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(-c3cncnc3)cc2F)c1 ZINC000185993644 822841977 /nfs/dbraw/zinc/84/19/77/822841977.db2.gz ZVPDPCLNYQJGFE-UHFFFAOYSA-N 1 1 392.478 4.053 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3Cc3ccccc3)cs2)cc1 ZINC000053606449 822842577 /nfs/dbraw/zinc/84/25/77/822842577.db2.gz ZEDWXQLROLQONU-FQEVSTJZSA-N 1 1 377.513 4.116 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3Cc3cccc(F)c3)cs2)cc1 ZINC000053610484 822842753 /nfs/dbraw/zinc/84/27/53/822842753.db2.gz CTIBUKHARDLDSC-FQEVSTJZSA-N 1 1 395.503 4.255 20 0 GIADMO CC(C)(C)[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000053616657 822842862 /nfs/dbraw/zinc/84/28/62/822842862.db2.gz HJIWSMJJHQBAFL-GOSISDBHSA-N 1 1 387.434 4.141 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)cc1)C(C)C ZINC000456939098 822843049 /nfs/dbraw/zinc/84/30/49/822843049.db2.gz QPGBYHXPPKJYTQ-UHFFFAOYSA-N 1 1 399.501 4.016 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000186033374 822845729 /nfs/dbraw/zinc/84/57/29/822845729.db2.gz FXZJBJDVCKPCLR-UHFFFAOYSA-N 1 1 390.405 4.282 20 0 GIADMO COc1ccc(C(=O)CCCCCC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000457021526 822846644 /nfs/dbraw/zinc/84/66/44/822846644.db2.gz MLPMWXHRMZHWEK-JOCHJYFZSA-N 1 1 394.515 4.002 20 0 GIADMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000053741769 822846839 /nfs/dbraw/zinc/84/68/39/822846839.db2.gz UHEFZHAVUDOSMW-ZDUSSCGKSA-N 1 1 382.291 4.116 20 0 GIADMO Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000174856073 822847112 /nfs/dbraw/zinc/84/71/12/822847112.db2.gz ILUDNDVDSMXTHQ-HKUYNNGSSA-N 1 1 381.520 4.377 20 0 GIADMO COc1ccc(N2CCC[N@@H+](Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1 ZINC000053772568 822847449 /nfs/dbraw/zinc/84/74/49/822847449.db2.gz DWILMSZGBXHOLM-UHFFFAOYSA-N 1 1 392.499 4.131 20 0 GIADMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000053782357 822847972 /nfs/dbraw/zinc/84/79/72/822847972.db2.gz YBYGDDGAWYODSR-CQSZACIVSA-N 1 1 382.489 4.028 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000457078027 822850523 /nfs/dbraw/zinc/85/05/23/822850523.db2.gz AIDHOVUAJZPYJL-AWEZNQCLSA-N 1 1 396.409 4.400 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)C1 ZINC000457110668 822854022 /nfs/dbraw/zinc/85/40/22/822854022.db2.gz ICYIWGIVLUXCMN-KSZLIROESA-N 1 1 383.561 4.287 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)C1 ZINC000457110670 822854137 /nfs/dbraw/zinc/85/41/37/822854137.db2.gz ICYIWGIVLUXCMN-RCCFBDPRSA-N 1 1 383.561 4.287 20 0 GIADMO O=C(N[C@H]1CCSc2ccccc21)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000053962672 822854452 /nfs/dbraw/zinc/85/44/52/822854452.db2.gz BCRZRYIVZKQYKA-FQEVSTJZSA-N 1 1 381.545 4.141 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000457116729 822854885 /nfs/dbraw/zinc/85/48/85/822854885.db2.gz LOCHZYGJPBPTHL-AWEZNQCLSA-N 1 1 399.482 4.189 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000174918102 822855928 /nfs/dbraw/zinc/85/59/28/822855928.db2.gz SYUKVWJOXALWRF-NRFANRHFSA-N 1 1 394.563 4.437 20 0 GIADMO COc1cccc(F)c1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186153442 822856184 /nfs/dbraw/zinc/85/61/84/822856184.db2.gz HMEYQYTUATVMBN-SJLPKXTDSA-N 1 1 385.483 4.351 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)cs1)c1ccc(C)cc1 ZINC000174938162 822858464 /nfs/dbraw/zinc/85/84/64/822858464.db2.gz KSSMCYVULNJDDU-CTNGQTDRSA-N 1 1 387.549 4.167 20 0 GIADMO C[N@@H+](CCCCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000457171687 822858895 /nfs/dbraw/zinc/85/88/95/822858895.db2.gz SLWPQGHKSLACPW-MJGOQNOKSA-N 1 1 399.362 4.452 20 0 GIADMO Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000054012268 822858891 /nfs/dbraw/zinc/85/88/91/822858891.db2.gz DUBGVYSSDWHZBI-UHFFFAOYSA-N 1 1 393.531 4.047 20 0 GIADMO CC[C@@H](C)C[N@H+](CC)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000174945142 822859273 /nfs/dbraw/zinc/85/92/73/822859273.db2.gz ZZRXFYDAWVRJTD-MRXNPFEDSA-N 1 1 385.537 4.443 20 0 GIADMO CC[C@@H](C)C[N@@H+](CC)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000174945142 822859274 /nfs/dbraw/zinc/85/92/74/822859274.db2.gz ZZRXFYDAWVRJTD-MRXNPFEDSA-N 1 1 385.537 4.443 20 0 GIADMO CCCc1noc2nc(-c3ccco3)cc(C(=O)NCCCC[N@@H+](C)C3CC3)c12 ZINC000457197032 822860164 /nfs/dbraw/zinc/86/01/64/822860164.db2.gz IFHWILFVPBEMRU-UHFFFAOYSA-N 1 1 396.491 4.040 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000174952215 822860373 /nfs/dbraw/zinc/86/03/73/822860373.db2.gz DFLHIGZYDSGCTK-CVDCTZTESA-N 1 1 395.547 4.039 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1nc2ccccc2s1 ZINC000174952521 822860428 /nfs/dbraw/zinc/86/04/28/822860428.db2.gz GAMOFIBHFRWDRS-LJQANCHMSA-N 1 1 393.556 4.209 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000174961983 822861869 /nfs/dbraw/zinc/86/18/69/822861869.db2.gz QLWYCPCQODVEEG-HNNXBMFYSA-N 1 1 392.341 4.268 20 0 GIADMO CC(C)c1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C(C)(C)C ZINC000174969755 822862523 /nfs/dbraw/zinc/86/25/23/822862523.db2.gz YFRXYRXQRGCHMW-HXUWFJFHSA-N 1 1 396.579 4.356 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000174974972 822863252 /nfs/dbraw/zinc/86/32/52/822863252.db2.gz AJSHAWQQBDAWBZ-KRWDZBQOSA-N 1 1 389.446 4.274 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000054174168 822865899 /nfs/dbraw/zinc/86/58/99/822865899.db2.gz HTXAOXOQGUPFBB-LBPRGKRZSA-N 1 1 376.287 4.465 20 0 GIADMO O=C(Nc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1)c1ccc(F)cc1 ZINC000054176137 822866152 /nfs/dbraw/zinc/86/61/52/822866152.db2.gz UNCFGJVOQKROJK-UHFFFAOYSA-N 1 1 392.430 4.139 20 0 GIADMO Cc1c(COc2ccccc2)cccc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000175004920 822866202 /nfs/dbraw/zinc/86/62/02/822866202.db2.gz BYRCBFITJUNHLX-IBGZPJMESA-N 1 1 381.520 4.380 20 0 GIADMO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2cccc3c2OCCO3)cn1 ZINC000054175825 822866216 /nfs/dbraw/zinc/86/62/16/822866216.db2.gz ULNOPQMYPKMAHK-UHFFFAOYSA-N 1 1 392.455 4.334 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000186261833 822866446 /nfs/dbraw/zinc/86/64/46/822866446.db2.gz YDHRSIVJCVHVRZ-IBGZPJMESA-N 1 1 382.895 4.481 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000186261833 822866449 /nfs/dbraw/zinc/86/64/49/822866449.db2.gz YDHRSIVJCVHVRZ-IBGZPJMESA-N 1 1 382.895 4.481 20 0 GIADMO Cc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000186275094 822868560 /nfs/dbraw/zinc/86/85/60/822868560.db2.gz SUBUAMTVFHSPLE-PZJWPPBQSA-N 1 1 394.906 4.009 20 0 GIADMO Cc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000186275094 822868566 /nfs/dbraw/zinc/86/85/66/822868566.db2.gz SUBUAMTVFHSPLE-PZJWPPBQSA-N 1 1 394.906 4.009 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000054222979 822869120 /nfs/dbraw/zinc/86/91/20/822869120.db2.gz QKFFCBAUAMNBQF-LPHOPBHVSA-N 1 1 392.528 4.100 20 0 GIADMO COc1ccc2[nH+]cc(C(=O)[O-])c(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)c2c1 ZINC000569007927 822869214 /nfs/dbraw/zinc/86/92/14/822869214.db2.gz PFUTUBHSBBOKOO-SJORKVTESA-N 1 1 397.519 4.032 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054227772 822869725 /nfs/dbraw/zinc/86/97/25/822869725.db2.gz AXTNHOQRULYKRX-SCTDSRPQSA-N 1 1 384.545 4.128 20 0 GIADMO COc1ccccc1O[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000569014732 822870031 /nfs/dbraw/zinc/87/00/31/822870031.db2.gz NYCXJFVRBCGESI-SFHVURJKSA-N 1 1 379.460 4.097 20 0 GIADMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000569014732 822870034 /nfs/dbraw/zinc/87/00/34/822870034.db2.gz NYCXJFVRBCGESI-SFHVURJKSA-N 1 1 379.460 4.097 20 0 GIADMO Cc1c(F)cccc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000175027237 822870399 /nfs/dbraw/zinc/87/03/99/822870399.db2.gz JQAUICUIHNOYHM-UHFFFAOYSA-N 1 1 377.410 4.198 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1ccc(OC(C)C)cc1Cl)[NH+](C)C ZINC000457380402 822871728 /nfs/dbraw/zinc/87/17/28/822871728.db2.gz FLCTWVWJCYIDLG-IBGZPJMESA-N 1 1 390.911 4.169 20 0 GIADMO Cc1nc(CCC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)oc1-c1ccccc1 ZINC000175036491 822871821 /nfs/dbraw/zinc/87/18/21/822871821.db2.gz JWXUGZVQBAQXCA-VQTJNVASSA-N 1 1 381.520 4.056 20 0 GIADMO Cc1cccc(-c2nc(CC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)cs2)c1 ZINC000175043896 822872813 /nfs/dbraw/zinc/87/28/13/822872813.db2.gz GPQQOVIGJVUVTF-UXHICEINSA-N 1 1 383.561 4.135 20 0 GIADMO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000175044615 822873045 /nfs/dbraw/zinc/87/30/45/822873045.db2.gz VOBLEJTWOWRCOD-HNNXBMFYSA-N 1 1 379.957 4.212 20 0 GIADMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000175044615 822873048 /nfs/dbraw/zinc/87/30/48/822873048.db2.gz VOBLEJTWOWRCOD-HNNXBMFYSA-N 1 1 379.957 4.212 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](Cc3cc(=O)oc4c(C)c(O)ccc34)CC2)cc1 ZINC000054296514 822873560 /nfs/dbraw/zinc/87/35/60/822873560.db2.gz MCXWRCIVMCLLMH-UHFFFAOYSA-N 1 1 391.467 4.210 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@H](CO)c2ccccc2)cs1)c1ccc(C)cc1 ZINC000175049124 822873612 /nfs/dbraw/zinc/87/36/12/822873612.db2.gz UKEVPMPGYCVZSG-LJQANCHMSA-N 1 1 395.528 4.002 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000054296580 822873809 /nfs/dbraw/zinc/87/38/09/822873809.db2.gz BWACBHJSXBJGOJ-LJQANCHMSA-N 1 1 378.516 4.109 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1Oc1ccncc1 ZINC000175050687 822873932 /nfs/dbraw/zinc/87/39/32/822873932.db2.gz KHDVCJVVXVMNCI-UXHICEINSA-N 1 1 379.504 4.270 20 0 GIADMO O=C(C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1)N1CCCCCC1 ZINC000175052421 822874250 /nfs/dbraw/zinc/87/42/50/822874250.db2.gz FASDHDXLEQINRD-UHFFFAOYSA-N 1 1 385.483 4.095 20 0 GIADMO CCN(C(=O)c1ccc(C(F)(F)F)nc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186326613 822876533 /nfs/dbraw/zinc/87/65/33/822876533.db2.gz UZCKEYJCUUINPM-QGZVFWFLSA-N 1 1 391.437 4.145 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000457459047 822877040 /nfs/dbraw/zinc/87/70/40/822877040.db2.gz MUMOMMHSHFQZJW-KBPBESRZSA-N 1 1 399.457 4.259 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000457459047 822877045 /nfs/dbraw/zinc/87/70/45/822877045.db2.gz MUMOMMHSHFQZJW-KBPBESRZSA-N 1 1 399.457 4.259 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1F)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339102 822877128 /nfs/dbraw/zinc/87/71/28/822877128.db2.gz QQNHWVRKVHBUOU-HKUYNNGSSA-N 1 1 397.277 4.051 20 0 GIADMO CCN(C(=O)c1nc(Cl)ccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186337834 822877957 /nfs/dbraw/zinc/87/79/57/822877957.db2.gz FEPLSRAISSQBAA-OAHLLOKOSA-N 1 1 378.303 4.125 20 0 GIADMO O=C(c1ccsc1)N1CCC[N@@H+](CCOc2ccc3ccccc3c2)CC1 ZINC000054364022 822878594 /nfs/dbraw/zinc/87/85/94/822878594.db2.gz PXPCVIINCAYSKK-UHFFFAOYSA-N 1 1 380.513 4.128 20 0 GIADMO CN(Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186345653 822879164 /nfs/dbraw/zinc/87/91/64/822879164.db2.gz LFFKOLZDRQAMGF-NRFANRHFSA-N 1 1 380.532 4.286 20 0 GIADMO CC[C@H](CC(F)F)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000457488932 822880701 /nfs/dbraw/zinc/88/07/01/822880701.db2.gz WNEBMGTXOHRJIG-CQSZACIVSA-N 1 1 392.412 4.467 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000054392100 822881536 /nfs/dbraw/zinc/88/15/36/822881536.db2.gz XORYNNQZQMDHEW-UHFFFAOYSA-N 1 1 387.483 4.185 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186358187 822881698 /nfs/dbraw/zinc/88/16/98/822881698.db2.gz ITVOPNDFMOIJQU-CQSZACIVSA-N 1 1 398.532 4.188 20 0 GIADMO Cc1c(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)sc2cccc(F)c12 ZINC000175102206 822882715 /nfs/dbraw/zinc/88/27/15/822882715.db2.gz NFVQPUUGTMZGTM-UHFFFAOYSA-N 1 1 385.464 4.101 20 0 GIADMO CCc1ccc([C@H](CN[C@@H](c2cccs2)c2nnc[nH]2)[NH+](CC)CC)cc1 ZINC000569146175 822883850 /nfs/dbraw/zinc/88/38/50/822883850.db2.gz NTVFDPZZAHDOKJ-ICSRJNTNSA-N 1 1 383.565 4.191 20 0 GIADMO Cc1ccc(SCCNC(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000569149971 822884333 /nfs/dbraw/zinc/88/43/33/822884333.db2.gz SBBQQUKUFILLGQ-IYBDPMFKSA-N 1 1 388.499 4.256 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000054428476 822884363 /nfs/dbraw/zinc/88/43/63/822884363.db2.gz VGWWFYBTZKYOOL-UHFFFAOYSA-N 1 1 380.517 4.055 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 ZINC000175114416 822884881 /nfs/dbraw/zinc/88/48/81/822884881.db2.gz AGHHXNRYJSSIFG-UHFFFAOYSA-N 1 1 397.475 4.307 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C\c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000569153961 822885188 /nfs/dbraw/zinc/88/51/88/822885188.db2.gz AUSLMKIUUOIRSW-ZNUVNQELSA-N 1 1 379.382 4.185 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C\c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000569153961 822885192 /nfs/dbraw/zinc/88/51/92/822885192.db2.gz AUSLMKIUUOIRSW-ZNUVNQELSA-N 1 1 379.382 4.185 20 0 GIADMO O=C(NCC[NH2+]Cc1sc(Sc2ccccc2)nc1Cl)c1ccco1 ZINC000054454298 822887326 /nfs/dbraw/zinc/88/73/26/822887326.db2.gz ITYWVGASFSSSSU-UHFFFAOYSA-N 1 1 393.921 4.060 20 0 GIADMO CCN(C(=O)Cn1cc[nH+]c1C)[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000457550701 822889543 /nfs/dbraw/zinc/88/95/43/822889543.db2.gz CRFYDPFQPLNQMZ-HSZRJFAPSA-N 1 1 376.504 4.348 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000186417045 822891077 /nfs/dbraw/zinc/89/10/77/822891077.db2.gz BBEHMCGPTWVMFN-PNLZDCPESA-N 1 1 389.503 4.429 20 0 GIADMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1F ZINC000175147721 822891880 /nfs/dbraw/zinc/89/18/80/822891880.db2.gz JJMIRFSDPGHMIV-SCLBCKFNSA-N 1 1 377.485 4.100 20 0 GIADMO C[N@@H+](Cc1csc2ccccc12)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054513804 822892043 /nfs/dbraw/zinc/89/20/43/822892043.db2.gz AVODZVFOGYDCCK-UHFFFAOYSA-N 1 1 379.445 4.158 20 0 GIADMO C[N@H+](Cc1csc2ccccc12)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054513804 822892048 /nfs/dbraw/zinc/89/20/48/822892048.db2.gz AVODZVFOGYDCCK-UHFFFAOYSA-N 1 1 379.445 4.158 20 0 GIADMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000569207545 822893034 /nfs/dbraw/zinc/89/30/34/822893034.db2.gz XPVUYKJIWBVOCR-KRWDZBQOSA-N 1 1 377.941 4.343 20 0 GIADMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cn2c3ccccc3oc2=S)CC1 ZINC000054545905 822894550 /nfs/dbraw/zinc/89/45/50/822894550.db2.gz MWWMUNPZGVGCOR-UHFFFAOYSA-N 1 1 399.491 4.089 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc([C@H]4CCOC4)c3)C2)s1 ZINC000569249536 822896425 /nfs/dbraw/zinc/89/64/25/822896425.db2.gz HZPRXPFDOVXBIX-RXVVDRJESA-N 1 1 398.572 4.155 20 0 GIADMO CSc1ccc2ncnc(N3CC[C@@H](C[N@@H+](C)Cc4scnc4C)C3)c2c1 ZINC000569263590 822898136 /nfs/dbraw/zinc/89/81/36/822898136.db2.gz MJQKTKNEBAZLNP-HNNXBMFYSA-N 1 1 399.589 4.075 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000054606687 822898434 /nfs/dbraw/zinc/89/84/34/822898434.db2.gz ZYYNICQIOYJFGI-IBGZPJMESA-N 1 1 397.910 4.426 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2sc(C)cc2OCc2ccccc2)C1 ZINC000457632018 822898926 /nfs/dbraw/zinc/89/89/26/822898926.db2.gz WTGPMPLMDBOADO-LJQANCHMSA-N 1 1 386.561 4.439 20 0 GIADMO COC[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000457649351 822901247 /nfs/dbraw/zinc/90/12/47/822901247.db2.gz LGYLKZURLOEEJW-KNQAVFIVSA-N 1 1 387.568 4.019 20 0 GIADMO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000457654128 822902005 /nfs/dbraw/zinc/90/20/05/822902005.db2.gz BQCUDBOPWOWPCF-GCJKJVERSA-N 1 1 391.515 4.271 20 0 GIADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)CC(F)F ZINC000457657746 822902211 /nfs/dbraw/zinc/90/22/11/822902211.db2.gz KJKWTXZNZINYRA-ATZDWAIDSA-N 1 1 381.511 4.130 20 0 GIADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)CC(F)F ZINC000457657746 822902213 /nfs/dbraw/zinc/90/22/13/822902213.db2.gz KJKWTXZNZINYRA-ATZDWAIDSA-N 1 1 381.511 4.130 20 0 GIADMO Cc1ccc(-c2nc(-c3nc([C@H]4C[N@H+]5CCC[C@@]5(C)CO4)no3)cs2)c(C)c1 ZINC000569290567 822902421 /nfs/dbraw/zinc/90/24/21/822902421.db2.gz ZKPRBSPAZSRRLY-UTKZUKDTSA-N 1 1 396.516 4.403 20 0 GIADMO Cc1ccc(S(=O)(=O)C[C@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000186492288 822904246 /nfs/dbraw/zinc/90/42/46/822904246.db2.gz CFJVBADUMOLFTB-HNNXBMFYSA-N 1 1 383.517 4.033 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(COCc3ccccc3)c2)C1 ZINC000457671849 822904494 /nfs/dbraw/zinc/90/44/94/822904494.db2.gz NYXXUUFUYIDNDK-QHCPKHFHSA-N 1 1 395.547 4.028 20 0 GIADMO Cc1noc(C2CC[NH+]([C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)CC2)n1 ZINC000054679120 822905367 /nfs/dbraw/zinc/90/53/67/822905367.db2.gz JNWYMIJJUJOVHE-OAQYLSRUSA-N 1 1 390.487 4.246 20 0 GIADMO C[N@H+]1CCCC12CCN(C(=O)c1ccc(Oc3cccc(Cl)c3)cn1)CC2 ZINC000457691351 822907138 /nfs/dbraw/zinc/90/71/38/822907138.db2.gz KMLGALFRQQTNBP-UHFFFAOYSA-N 1 1 385.895 4.228 20 0 GIADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCCCC[C@@H]1c1ccco1 ZINC000175217872 822907289 /nfs/dbraw/zinc/90/72/89/822907289.db2.gz RRBWMMQBXMOFLS-NHCUHLMSSA-N 1 1 382.504 4.014 20 0 GIADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCCCC[C@@H]1c1ccco1 ZINC000175217872 822907294 /nfs/dbraw/zinc/90/72/94/822907294.db2.gz RRBWMMQBXMOFLS-NHCUHLMSSA-N 1 1 382.504 4.014 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186518778 822907459 /nfs/dbraw/zinc/90/74/59/822907459.db2.gz MVYPNJOVBSKXHG-QLFBSQMISA-N 1 1 381.358 4.458 20 0 GIADMO CC[C@H](CC(F)F)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457694810 822907704 /nfs/dbraw/zinc/90/77/04/822907704.db2.gz RSGCCLZKEQMGQB-ZUCKAHLUSA-N 1 1 376.850 4.270 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186564288 822914094 /nfs/dbraw/zinc/91/40/94/822914094.db2.gz OILDWWJIHNWYGN-TZMCWYRMSA-N 1 1 376.397 4.048 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@H]1c1cccn1C ZINC000175252419 822914813 /nfs/dbraw/zinc/91/48/13/822914813.db2.gz MFFIOESCXGBOEC-QFIPXVFZSA-N 1 1 382.552 4.302 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2nc(-c3ccco3)no2)cc1 ZINC000569395604 822916075 /nfs/dbraw/zinc/91/60/75/822916075.db2.gz CFKMPHAETABEGV-LJQANCHMSA-N 1 1 375.428 4.412 20 0 GIADMO C/C(=C/c1ccccc1OC(F)F)CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000569395735 822916265 /nfs/dbraw/zinc/91/62/65/822916265.db2.gz HVZASLNIYLRPSE-SDXDJHTJSA-N 1 1 394.506 4.316 20 0 GIADMO Cc1ccccc1CS(=O)(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000186580999 822917106 /nfs/dbraw/zinc/91/71/06/822917106.db2.gz FUANHKAOFCMLEH-UHFFFAOYSA-N 1 1 383.517 4.305 20 0 GIADMO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H](C)CCN3CCN(C)CC3)cc2)c1 ZINC000186585765 822917807 /nfs/dbraw/zinc/91/78/07/822917807.db2.gz YUCHEEFZKMLAGZ-VXKWHMMOSA-N 1 1 395.591 4.251 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000186587892 822918121 /nfs/dbraw/zinc/91/81/21/822918121.db2.gz DRSMYMOENUDDBT-SJORKVTESA-N 1 1 375.557 4.231 20 0 GIADMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000186590001 822918614 /nfs/dbraw/zinc/91/86/14/822918614.db2.gz HWDRULQTFGKYLC-STQMWFEESA-N 1 1 378.775 4.323 20 0 GIADMO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3cncc(Br)c3)cc2)C1 ZINC000186589778 822918619 /nfs/dbraw/zinc/91/86/19/822918619.db2.gz CRMKRURLRCCOKA-INIZCTEOSA-N 1 1 388.353 4.366 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3cncc(Br)c3)cc2)C1 ZINC000186589778 822918621 /nfs/dbraw/zinc/91/86/21/822918621.db2.gz CRMKRURLRCCOKA-INIZCTEOSA-N 1 1 388.353 4.366 20 0 GIADMO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)cc1 ZINC000186590673 822919003 /nfs/dbraw/zinc/91/90/03/822919003.db2.gz NIQQCZORLGQMKM-WOJBJXKFSA-N 1 1 381.564 4.039 20 0 GIADMO CCCOc1cc(C)ccc1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000569413736 822919166 /nfs/dbraw/zinc/91/91/66/822919166.db2.gz UNWFULAMQGYDEH-UHFFFAOYSA-N 1 1 382.508 4.409 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000175270991 822920868 /nfs/dbraw/zinc/92/08/68/822920868.db2.gz CSPGZOAJVRPBAL-MRXNPFEDSA-N 1 1 376.422 4.088 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)[C@@H](C)C3CC3)CC2)[nH+]c1 ZINC000175282160 822923404 /nfs/dbraw/zinc/92/34/04/822923404.db2.gz XVPFADCAKANTKF-IBGZPJMESA-N 1 1 392.547 4.369 20 0 GIADMO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000569478515 822927907 /nfs/dbraw/zinc/92/79/07/822927907.db2.gz MRBVYNQZNYNXOG-AVRDEDQJSA-N 1 1 385.471 4.021 20 0 GIADMO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000569478515 822927910 /nfs/dbraw/zinc/92/79/10/822927910.db2.gz MRBVYNQZNYNXOG-AVRDEDQJSA-N 1 1 385.471 4.021 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc(OC)c1OC ZINC000186653205 822929897 /nfs/dbraw/zinc/92/98/97/822929897.db2.gz CFIZYCPBUFIVOE-LHSJRXKWSA-N 1 1 399.466 4.025 20 0 GIADMO O=C(N[C@H](C1CC1)C(F)(F)F)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569500980 822930500 /nfs/dbraw/zinc/93/05/00/822930500.db2.gz GCCIMNSBWHTEQS-GOSISDBHSA-N 1 1 395.469 4.025 20 0 GIADMO COc1cc(C)c([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC ZINC000186657164 822930903 /nfs/dbraw/zinc/93/09/03/822930903.db2.gz RJIJYRXBJREGEB-IVZQSRNASA-N 1 1 383.467 4.325 20 0 GIADMO C[C@@H](Cc1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)Cc1ccc(Cl)cc1 ZINC000569505892 822931308 /nfs/dbraw/zinc/93/13/08/822931308.db2.gz MEQOLRWAPRWMER-LIVBEALHSA-N 1 1 375.900 4.070 20 0 GIADMO C[C@@H](Cc1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)Cc1ccc(Cl)cc1 ZINC000569505892 822931313 /nfs/dbraw/zinc/93/13/13/822931313.db2.gz MEQOLRWAPRWMER-LIVBEALHSA-N 1 1 375.900 4.070 20 0 GIADMO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CCc1ccc(F)cc1 ZINC000055024669 822932086 /nfs/dbraw/zinc/93/20/86/822932086.db2.gz DREYVSKKWGCYOC-VIFPVBQESA-N 1 1 390.327 4.023 20 0 GIADMO O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000055027814 822932270 /nfs/dbraw/zinc/93/22/70/822932270.db2.gz RHNABIDIDMGCNY-UHFFFAOYSA-N 1 1 394.357 4.045 20 0 GIADMO C[C@H](CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000569511502 822932365 /nfs/dbraw/zinc/93/23/65/822932365.db2.gz HYMRUIWWIJIOGE-LSDHHAIUSA-N 1 1 383.458 4.114 20 0 GIADMO S=c1n(C[N@@H+]2CCC[C@@H]2C2CCCC2)nc(N2CCCCC2)n1C1CC1 ZINC000055034844 822932791 /nfs/dbraw/zinc/93/27/91/822932791.db2.gz KDASHVIYDUFUJA-GOSISDBHSA-N 1 1 375.586 4.351 20 0 GIADMO S=c1n(C[N@H+]2CCC[C@@H]2C2CCCC2)nc(N2CCCCC2)n1C1CC1 ZINC000055034844 822932794 /nfs/dbraw/zinc/93/27/94/822932794.db2.gz KDASHVIYDUFUJA-GOSISDBHSA-N 1 1 375.586 4.351 20 0 GIADMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000055055530 822935659 /nfs/dbraw/zinc/93/56/59/822935659.db2.gz NKBGOEWUYIFGSW-UHFFFAOYSA-N 1 1 390.531 4.131 20 0 GIADMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000055055530 822935662 /nfs/dbraw/zinc/93/56/62/822935662.db2.gz NKBGOEWUYIFGSW-UHFFFAOYSA-N 1 1 390.531 4.131 20 0 GIADMO COc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000175327107 822936123 /nfs/dbraw/zinc/93/61/23/822936123.db2.gz XHNRKVMXEVNARR-ABSDTBQOSA-N 1 1 399.510 4.248 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000186681708 822936196 /nfs/dbraw/zinc/93/61/96/822936196.db2.gz DXKNWKYFUHAMQM-KRWDZBQOSA-N 1 1 391.437 4.360 20 0 GIADMO O=C(C[NH+]1CCC(COc2ccccc2)CC1)Nc1ccccc1OC(F)F ZINC000055082254 822936693 /nfs/dbraw/zinc/93/66/93/822936693.db2.gz ZWZAJMJIWUITIN-UHFFFAOYSA-N 1 1 390.430 4.018 20 0 GIADMO CCOc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000186700428 822940314 /nfs/dbraw/zinc/94/03/14/822940314.db2.gz JYUBONXPOYZIJI-VGOFRKELSA-N 1 1 384.520 4.200 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000055152637 822941438 /nfs/dbraw/zinc/94/14/38/822941438.db2.gz UYWFAXJTLIOXKM-NEPJUHHUSA-N 1 1 380.847 4.174 20 0 GIADMO O=C(CC[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1c(Cl)cccc1Cl ZINC000186708220 822941690 /nfs/dbraw/zinc/94/16/90/822941690.db2.gz GZTBTOSQXUAKDQ-HXUWFJFHSA-N 1 1 391.298 4.453 20 0 GIADMO CC[N@H+](C)[C@H](C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccccc1 ZINC000186724320 822945267 /nfs/dbraw/zinc/94/52/67/822945267.db2.gz WEHIXNAWHNHWBI-IBGZPJMESA-N 1 1 391.437 4.196 20 0 GIADMO CC[N@@H+](C)[C@H](C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccccc1 ZINC000186724320 822945270 /nfs/dbraw/zinc/94/52/70/822945270.db2.gz WEHIXNAWHNHWBI-IBGZPJMESA-N 1 1 391.437 4.196 20 0 GIADMO COC(=O)[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(F)cc1 ZINC000569618916 822945680 /nfs/dbraw/zinc/94/56/80/822945680.db2.gz KVTMCBCNLFLMOR-JTSKRJEESA-N 1 1 384.495 4.062 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000569626424 822946755 /nfs/dbraw/zinc/94/67/55/822946755.db2.gz JLCCKSZUXZMSRM-ACJLOTCBSA-N 1 1 384.351 4.474 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)cc1)C(C)C ZINC000175373601 822950396 /nfs/dbraw/zinc/95/03/96/822950396.db2.gz SVGKDODJHAWZRD-UHFFFAOYSA-N 1 1 381.520 4.179 20 0 GIADMO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175373967 822950624 /nfs/dbraw/zinc/95/06/24/822950624.db2.gz BLHDJLPNTYEKKT-NPMABZOXSA-N 1 1 396.350 4.388 20 0 GIADMO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175373967 822950627 /nfs/dbraw/zinc/95/06/27/822950627.db2.gz BLHDJLPNTYEKKT-NPMABZOXSA-N 1 1 396.350 4.388 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175382678 822953133 /nfs/dbraw/zinc/95/31/33/822953133.db2.gz DAKXTZDTOMWZHJ-QRVBRYPASA-N 1 1 393.597 4.000 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CC3CCN(C(=O)C(C)(C)C)CC3)nc2c1 ZINC000569675954 822954019 /nfs/dbraw/zinc/95/40/19/822954019.db2.gz LMUYODPOHVESEE-HXUWFJFHSA-N 1 1 382.552 4.293 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@@H+]3CC3CCN(C(=O)C(C)(C)C)CC3)[nH]c2c1 ZINC000569675954 822954020 /nfs/dbraw/zinc/95/40/20/822954020.db2.gz LMUYODPOHVESEE-HXUWFJFHSA-N 1 1 382.552 4.293 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@H+]3CC3CCN(C(=O)C(C)(C)C)CC3)[nH]c2c1 ZINC000569675954 822954022 /nfs/dbraw/zinc/95/40/22/822954022.db2.gz LMUYODPOHVESEE-HXUWFJFHSA-N 1 1 382.552 4.293 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000569679801 822954585 /nfs/dbraw/zinc/95/45/85/822954585.db2.gz RZPSEPFBQYMEQC-GOSISDBHSA-N 1 1 388.519 4.279 20 0 GIADMO Clc1cccc(-n2cc(C[NH2+]Cc3cccc4c3CCCN4)nn2)c1Cl ZINC000569691089 822955727 /nfs/dbraw/zinc/95/57/27/822955727.db2.gz HHTDFIGKOVNOIZ-UHFFFAOYSA-N 1 1 388.302 4.222 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2CN2CCc3ccccc32)CC[N@H+]1C ZINC000175389233 822955806 /nfs/dbraw/zinc/95/58/06/822955806.db2.gz BTFHBYHVUCATGF-NQIIRXRSSA-N 1 1 392.547 4.196 20 0 GIADMO COc1ccc2c(c1)CCC[C@H]2CC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000569717741 822958637 /nfs/dbraw/zinc/95/86/37/822958637.db2.gz HEOHFOYMTPRNIF-IBGZPJMESA-N 1 1 384.520 4.079 20 0 GIADMO CC[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccncc1 ZINC000175398628 822958998 /nfs/dbraw/zinc/95/89/98/822958998.db2.gz LLLRGLUSOYJWIL-AVRDEDQJSA-N 1 1 380.536 4.264 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000186809577 822959094 /nfs/dbraw/zinc/95/90/94/822959094.db2.gz OKZOSHPEENQEKX-UHFFFAOYSA-N 1 1 375.472 4.175 20 0 GIADMO C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(Oc2cccnc2)cc1 ZINC000569730627 822960145 /nfs/dbraw/zinc/96/01/45/822960145.db2.gz GYRIYHOVNDYUTI-JTSKRJEESA-N 1 1 375.472 4.354 20 0 GIADMO CC(C)CNC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175405858 822961105 /nfs/dbraw/zinc/96/11/05/822961105.db2.gz VEOQNPMTHPODCS-SOKVYYICSA-N 1 1 386.561 4.003 20 0 GIADMO CC(C)CNC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175405858 822961108 /nfs/dbraw/zinc/96/11/08/822961108.db2.gz VEOQNPMTHPODCS-SOKVYYICSA-N 1 1 386.561 4.003 20 0 GIADMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569738802 822961437 /nfs/dbraw/zinc/96/14/37/822961437.db2.gz GMKAWURBISOZEZ-FUHWJXTLSA-N 1 1 379.529 4.338 20 0 GIADMO O=C(CCc1ccccc1Cl)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055427704 822961550 /nfs/dbraw/zinc/96/15/50/822961550.db2.gz JVPHVCAIUKYXPC-UHFFFAOYSA-N 1 1 393.918 4.165 20 0 GIADMO COc1cc(C)c(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1F 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FLYLKJRDVNKOQJ-PMACEKPBSA-N 1 1 377.937 4.329 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)ccc2Br)C1 ZINC000124443018 823597290 /nfs/dbraw/zinc/59/72/90/823597290.db2.gz MATJLPJQGISYFZ-ZDUSSCGKSA-N 1 1 387.749 4.200 20 0 GIADMO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)Cc3cc(Cl)ccc3F)cc2)c1C ZINC000461206581 823598508 /nfs/dbraw/zinc/59/85/08/823598508.db2.gz IGZVZUKMGYZGAH-UHFFFAOYSA-N 1 1 393.871 4.224 20 0 GIADMO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411755359 823602615 /nfs/dbraw/zinc/60/26/15/823602615.db2.gz IHOUNUJLDMKULS-UHFFFAOYSA-N 1 1 394.544 4.013 20 0 GIADMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411755359 823602617 /nfs/dbraw/zinc/60/26/17/823602617.db2.gz IHOUNUJLDMKULS-UHFFFAOYSA-N 1 1 394.544 4.013 20 0 GIADMO COc1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)ccc1OCC(F)(F)F ZINC000190747676 823604726 /nfs/dbraw/zinc/60/47/26/823604726.db2.gz DQZPUCQLQCXPRG-UHFFFAOYSA-N 1 1 393.764 4.424 20 0 GIADMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1C(=O)Nc1ccccc1 ZINC000411791999 823605224 /nfs/dbraw/zinc/60/52/24/823605224.db2.gz OAJBQBDJCNSJAI-SOLBZPMBSA-N 1 1 379.504 4.447 20 0 GIADMO COc1cccc(Nc2ccccc2C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000461257101 823606261 /nfs/dbraw/zinc/60/62/61/823606261.db2.gz LETXTLXLPJOCPJ-IBGZPJMESA-N 1 1 381.520 4.385 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1csc(-c2ccccn2)n1 ZINC000061620316 823606365 /nfs/dbraw/zinc/60/63/65/823606365.db2.gz JAAUBVKIUQFVOM-UHFFFAOYSA-N 1 1 399.545 4.290 20 0 GIADMO CCN(CC)c1nc2sc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2s1 ZINC000461259807 823606887 /nfs/dbraw/zinc/60/68/87/823606887.db2.gz UJLKNOGQVNKWOX-AWEZNQCLSA-N 1 1 394.610 4.150 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000461261658 823607491 /nfs/dbraw/zinc/60/74/91/823607491.db2.gz XHHINJUFQRKDAP-QGZVFWFLSA-N 1 1 387.911 4.474 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000461261883 823607643 /nfs/dbraw/zinc/60/76/43/823607643.db2.gz FKOYWELCYGDTFA-MRXNPFEDSA-N 1 1 377.941 4.410 20 0 GIADMO CCSCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190781485 823608046 /nfs/dbraw/zinc/60/80/46/823608046.db2.gz VGNISCXDCMYIAA-AWEZNQCLSA-N 1 1 382.327 4.389 20 0 GIADMO Brc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2CCOCC2CC2)n1 ZINC000190781557 823608105 /nfs/dbraw/zinc/60/81/05/823608105.db2.gz KPJCSNIKSHHERZ-INIZCTEOSA-N 1 1 392.297 4.063 20 0 GIADMO Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2CCOCC2CC2)n1 ZINC000190781557 823608108 /nfs/dbraw/zinc/60/81/08/823608108.db2.gz KPJCSNIKSHHERZ-INIZCTEOSA-N 1 1 392.297 4.063 20 0 GIADMO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000461263452 823608140 /nfs/dbraw/zinc/60/81/40/823608140.db2.gz IWWRVROSDGRGDG-NRFANRHFSA-N 1 1 392.543 4.481 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000411820778 823608348 /nfs/dbraw/zinc/60/83/48/823608348.db2.gz SAXNUZZFOQHTHG-MRXNPFEDSA-N 1 1 395.528 4.104 20 0 GIADMO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461264126 823608363 /nfs/dbraw/zinc/60/83/63/823608363.db2.gz NKWRNHVCBXIMCX-GHTZIAJQSA-N 1 1 395.547 4.177 20 0 GIADMO C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461265979 823608856 /nfs/dbraw/zinc/60/88/56/823608856.db2.gz PPVRNIYGOXVELK-GOEBONIOSA-N 1 1 399.398 4.263 20 0 GIADMO O=C(Nc1cccc(C[NH2+]Cc2ccc(Br)o2)c1)C1CCCC1 ZINC000190801406 823610711 /nfs/dbraw/zinc/61/07/11/823610711.db2.gz BZWHEWANPRHJBS-UHFFFAOYSA-N 1 1 377.282 4.461 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCSc1ccc(Br)cc1 ZINC000461274707 823610606 /nfs/dbraw/zinc/61/06/06/823610606.db2.gz ZCUKQNDVKGLLGA-INIZCTEOSA-N 1 1 399.398 4.264 20 0 GIADMO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124614949 823611319 /nfs/dbraw/zinc/61/13/19/823611319.db2.gz BZCFOZBEYUYDJB-QKLQHJQFSA-N 1 1 399.604 4.482 20 0 GIADMO CC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000190808872 823611739 /nfs/dbraw/zinc/61/17/39/823611739.db2.gz DHRPFEWUKCMDCZ-FQEVSTJZSA-N 1 1 380.488 4.022 20 0 GIADMO C[C@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(-n2cnnn2)cc1 ZINC000124625017 823612111 /nfs/dbraw/zinc/61/21/11/823612111.db2.gz GZHQWAIUKJHDOJ-BTYIYWSLSA-N 1 1 390.878 4.151 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(-n2cnnn2)cc1 ZINC000124625186 823612182 /nfs/dbraw/zinc/61/21/82/823612182.db2.gz GZHQWAIUKJHDOJ-VFNWGFHPSA-N 1 1 390.878 4.151 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000124637853 823613094 /nfs/dbraw/zinc/61/30/94/823613094.db2.gz SLOCBHIVOMSPIM-MRXNPFEDSA-N 1 1 394.471 4.078 20 0 GIADMO CCC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000061780665 823613925 /nfs/dbraw/zinc/61/39/25/823613925.db2.gz AWUYJWWCZFYEPZ-OAQYLSRUSA-N 1 1 394.515 4.034 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461309370 823615131 /nfs/dbraw/zinc/61/51/31/823615131.db2.gz QOSMBBLUMYQGDP-FXAWDEMLSA-N 1 1 395.576 4.221 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411945247 823615708 /nfs/dbraw/zinc/61/57/08/823615708.db2.gz PIVJQLJPGXUJPL-RYUDHWBXSA-N 1 1 382.291 4.120 20 0 GIADMO Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000190845256 823615738 /nfs/dbraw/zinc/61/57/38/823615738.db2.gz NSRFATYKHNSWLQ-HQRMLTQVSA-N 1 1 399.560 4.262 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)c1OC ZINC000411952950 823616026 /nfs/dbraw/zinc/61/60/26/823616026.db2.gz UANLXMUAQJXSBF-PKOBYXMFSA-N 1 1 396.512 4.135 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)c1OC ZINC000411952950 823616028 /nfs/dbraw/zinc/61/60/28/823616028.db2.gz UANLXMUAQJXSBF-PKOBYXMFSA-N 1 1 396.512 4.135 20 0 GIADMO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)CC1CCCC1 ZINC000190851297 823616303 /nfs/dbraw/zinc/61/63/03/823616303.db2.gz FQZVRJDGIFTIRW-MRXNPFEDSA-N 1 1 386.458 4.296 20 0 GIADMO CO[C@](C)([C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C1CC1 ZINC000411968219 823617060 /nfs/dbraw/zinc/61/70/60/823617060.db2.gz IZMNWRGJYNZZRV-QVKFZJNVSA-N 1 1 387.549 4.429 20 0 GIADMO COCCN(C)c1ccc(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 ZINC000190867663 823618154 /nfs/dbraw/zinc/61/81/54/823618154.db2.gz YQFXURYPXHZKEF-UHFFFAOYSA-N 1 1 397.469 4.322 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1csc(C2CC2)n1)C(C)C ZINC000411992840 823618889 /nfs/dbraw/zinc/61/88/89/823618889.db2.gz ZZYZTUTWGNTEQZ-KRWDZBQOSA-N 1 1 392.590 4.393 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1csc(C2CC2)n1)C(C)C ZINC000411992840 823618891 /nfs/dbraw/zinc/61/88/91/823618891.db2.gz ZZYZTUTWGNTEQZ-KRWDZBQOSA-N 1 1 392.590 4.393 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000411998030 823620015 /nfs/dbraw/zinc/62/00/15/823620015.db2.gz KBPGAESAZFLPCY-DENIHFKCSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000411998030 823620016 /nfs/dbraw/zinc/62/00/16/823620016.db2.gz KBPGAESAZFLPCY-DENIHFKCSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001142 823620451 /nfs/dbraw/zinc/62/04/51/823620451.db2.gz PIOUMTYMEYFIKR-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001142 823620452 /nfs/dbraw/zinc/62/04/52/823620452.db2.gz PIOUMTYMEYFIKR-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412002379 823620644 /nfs/dbraw/zinc/62/06/44/823620644.db2.gz UCMCVNFDSICIDG-SXWKCWPCSA-N 1 1 392.543 4.414 20 0 GIADMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412002379 823620646 /nfs/dbraw/zinc/62/06/46/823620646.db2.gz UCMCVNFDSICIDG-SXWKCWPCSA-N 1 1 392.543 4.414 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000412001799 823620657 /nfs/dbraw/zinc/62/06/57/823620657.db2.gz REGZUCCVILZVLV-ISKFKSNPSA-N 1 1 390.527 4.034 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000412001799 823620658 /nfs/dbraw/zinc/62/06/58/823620658.db2.gz REGZUCCVILZVLV-ISKFKSNPSA-N 1 1 390.527 4.034 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2ncc(-c3cccs3)o2)c2ccccc2)CCOCC1 ZINC000412006244 823621580 /nfs/dbraw/zinc/62/15/80/823621580.db2.gz CRIQSQMGTSYOSS-FQEVSTJZSA-N 1 1 384.501 4.023 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2ccn(CC(F)(F)F)n2)c2ccccc2)CCCCC1 ZINC000412005986 823621606 /nfs/dbraw/zinc/62/16/06/823621606.db2.gz GRBUNMDCPUODMA-SFHVURJKSA-N 1 1 381.442 4.219 20 0 GIADMO C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000124730399 823621685 /nfs/dbraw/zinc/62/16/85/823621685.db2.gz QRUYBKQCARHWLL-AQNXPRMDSA-N 1 1 389.547 4.075 20 0 GIADMO CSc1ccc(OC[C@H](O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412007732 823621756 /nfs/dbraw/zinc/62/17/56/823621756.db2.gz DQJFOJUVCJNALJ-KNQAVFIVSA-N 1 1 399.556 4.002 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2nnc(C3CC3)n2C2CC2)c2ccccc2)CCCCC1 ZINC000412007100 823621879 /nfs/dbraw/zinc/62/18/79/823621879.db2.gz IZZFOTXEHXAEAG-NRFANRHFSA-N 1 1 380.536 4.264 20 0 GIADMO O=C(CC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000412015026 823622955 /nfs/dbraw/zinc/62/29/55/823622955.db2.gz RWLIIPCHKZUBOB-OAQYLSRUSA-N 1 1 386.442 4.147 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH2+][C@H](C)c1csnn1 ZINC000412032721 823623690 /nfs/dbraw/zinc/62/36/90/823623690.db2.gz DROKDRHYGZYCBO-GFCCVEGCSA-N 1 1 380.945 4.386 20 0 GIADMO COCCN(C(C)=O)c1nc(C[N@H+]2CC[C@H](CC(C)(C)C)C2(C)C)cs1 ZINC000412041799 823623831 /nfs/dbraw/zinc/62/38/31/823623831.db2.gz UJNJPJAUEVMCEC-MRXNPFEDSA-N 1 1 381.586 4.179 20 0 GIADMO Cc1ccc(Sc2ncccc2C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000124764916 823624272 /nfs/dbraw/zinc/62/42/72/823624272.db2.gz LCRWQBFRBWOYNE-QZTJIDSGSA-N 1 1 383.561 4.404 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)CC1 ZINC000412058862 823624759 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GIADMO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c1 ZINC000125322683 823667766 /nfs/dbraw/zinc/66/77/66/823667766.db2.gz NCUCOSHQEOZOSU-OAHLLOKOSA-N 1 1 391.943 4.023 20 0 GIADMO CCOc1cccc([C@@H](C)NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000063405091 823668870 /nfs/dbraw/zinc/66/88/70/823668870.db2.gz HCPKRTBWUQLZSF-GOSISDBHSA-N 1 1 395.547 4.282 20 0 GIADMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)O1 ZINC000191312761 823670394 /nfs/dbraw/zinc/67/03/94/823670394.db2.gz VQSIZPFTHSXJAI-XJKCOSOUSA-N 1 1 392.297 4.204 20 0 GIADMO COCCN(C)c1ccc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)cn1 ZINC000191323133 823671640 /nfs/dbraw/zinc/67/16/40/823671640.db2.gz XASAYIXMISBJEU-UHFFFAOYSA-N 1 1 390.531 4.070 20 0 GIADMO COCCN(C)c1ccc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)cn1 ZINC000191323133 823671644 /nfs/dbraw/zinc/67/16/44/823671644.db2.gz XASAYIXMISBJEU-UHFFFAOYSA-N 1 1 390.531 4.070 20 0 GIADMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000125392464 823672795 /nfs/dbraw/zinc/67/27/95/823672795.db2.gz PRFTXCYWZSOPBV-INIZCTEOSA-N 1 1 397.544 4.089 20 0 GIADMO Cc1ccccc1CNC(=O)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063471187 823674237 /nfs/dbraw/zinc/67/42/37/823674237.db2.gz MOSAHMBGISCBLM-UHFFFAOYSA-N 1 1 380.438 4.269 20 0 GIADMO CCOc1cc(C[N@H+](C)[C@H](C)c2ccc(C(=O)OC)o2)ccc1OC(F)F ZINC000125420394 823674795 /nfs/dbraw/zinc/67/47/95/823674795.db2.gz HDYFCJVVCKBBHR-GFCCVEGCSA-N 1 1 383.391 4.259 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@H](C)c2ccc(C(=O)OC)o2)ccc1OC(F)F ZINC000125420394 823674799 /nfs/dbraw/zinc/67/47/99/823674799.db2.gz HDYFCJVVCKBBHR-GFCCVEGCSA-N 1 1 383.391 4.259 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(-c3cccs3)nc3ccccc32)C1 ZINC000063490265 823675724 /nfs/dbraw/zinc/67/57/24/823675724.db2.gz DOTYXOMENUFHRG-INIZCTEOSA-N 1 1 379.529 4.423 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)cc1)C(C)C ZINC000412724441 823677964 /nfs/dbraw/zinc/67/79/64/823677964.db2.gz FKAIQDUIFVXURV-OAQYLSRUSA-N 1 1 379.504 4.120 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NCc2ccc(Br)o2)C[C@@H](C)O1 ZINC000191392372 823679987 /nfs/dbraw/zinc/67/99/87/823679987.db2.gz AJFCRGOOZAUYKA-ZIAGYGMSSA-N 1 1 379.298 4.263 20 0 GIADMO Cc1[nH+]ccn1CCCCN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000125508253 823681554 /nfs/dbraw/zinc/68/15/54/823681554.db2.gz CMJVLIINBGPWMJ-GOSISDBHSA-N 1 1 386.298 4.491 20 0 GIADMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1 ZINC000125531558 823682996 /nfs/dbraw/zinc/68/29/96/823682996.db2.gz POEJLNLMGTZJBE-SFHVURJKSA-N 1 1 381.520 4.140 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125567318 823685930 /nfs/dbraw/zinc/68/59/30/823685930.db2.gz MIVLBDNRDOIIDI-HNNXBMFYSA-N 1 1 396.478 4.429 20 0 GIADMO CC(C)Cc1nc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cs1 ZINC000063648324 823686583 /nfs/dbraw/zinc/68/65/83/823686583.db2.gz YTWZORXJNDYCIB-UHFFFAOYSA-N 1 1 393.503 4.014 20 0 GIADMO Cc1ccc(OCc2nc(CNC[C@H](c3cccs3)[NH+](C)C)cs2)cc1 ZINC000125577581 823686810 /nfs/dbraw/zinc/68/68/10/823686810.db2.gz CSDZWYPFUBDWGJ-GOSISDBHSA-N 1 1 387.574 4.485 20 0 GIADMO CCCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1Cl ZINC000063656800 823687371 /nfs/dbraw/zinc/68/73/71/823687371.db2.gz SJVGFBGQSDUCGU-HXUWFJFHSA-N 1 1 399.922 4.083 20 0 GIADMO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)c1ccccc1 ZINC000191464738 823688124 /nfs/dbraw/zinc/68/81/24/823688124.db2.gz DETYLLRFWHJVBF-ZUOKHONESA-N 1 1 392.771 4.373 20 0 GIADMO CC1([C@@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)OCCO1 ZINC000191476797 823689150 /nfs/dbraw/zinc/68/91/50/823689150.db2.gz AVNKKVCARSVRRC-SNVBAGLBSA-N 1 1 380.735 4.139 20 0 GIADMO CC1([C@@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)OCCO1 ZINC000191476797 823689151 /nfs/dbraw/zinc/68/91/51/823689151.db2.gz AVNKKVCARSVRRC-SNVBAGLBSA-N 1 1 380.735 4.139 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000412897388 823689872 /nfs/dbraw/zinc/68/98/72/823689872.db2.gz JRWOVHFXQACFHE-OALUTQOASA-N 1 1 392.584 4.002 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000191485813 823690105 /nfs/dbraw/zinc/69/01/05/823690105.db2.gz HVLMEJCHZKTQBA-UHFFFAOYSA-N 1 1 398.532 4.210 20 0 GIADMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)CCS2 ZINC000191493511 823690931 /nfs/dbraw/zinc/69/09/31/823690931.db2.gz BULDSIQGEHEWJA-HNNXBMFYSA-N 1 1 384.423 4.358 20 0 GIADMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000191499088 823691915 /nfs/dbraw/zinc/69/19/15/823691915.db2.gz QUJCDHFSMBTCJW-LJQANCHMSA-N 1 1 398.528 4.214 20 0 GIADMO COc1cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)ccc1OCc1ccccc1 ZINC000063726501 823692166 /nfs/dbraw/zinc/69/21/66/823692166.db2.gz JDHIUDUFOCJGAG-UHFFFAOYSA-N 1 1 396.531 4.221 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000063728006 823692347 /nfs/dbraw/zinc/69/23/47/823692347.db2.gz SZOIPDORTOGIEP-UHFFFAOYSA-N 1 1 387.351 4.485 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1F)Cc1cc(Br)ccc1F ZINC000063742048 823693108 /nfs/dbraw/zinc/69/31/08/823693108.db2.gz BEISCIXNNZIXIE-UHFFFAOYSA-N 1 1 383.236 4.188 20 0 GIADMO COc1ccc(-n2ccc(C[NH2+][C@H]3CCSc4ccc(OC)cc43)n2)cc1 ZINC000191510241 823693628 /nfs/dbraw/zinc/69/36/28/823693628.db2.gz XTEHHYGTMVRXGR-FQEVSTJZSA-N 1 1 381.501 4.216 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063762824 823693987 /nfs/dbraw/zinc/69/39/87/823693987.db2.gz WNNHLZUPNPVCCN-QGZVFWFLSA-N 1 1 399.494 4.055 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063762824 823693988 /nfs/dbraw/zinc/69/39/88/823693988.db2.gz WNNHLZUPNPVCCN-QGZVFWFLSA-N 1 1 399.494 4.055 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)[C@@H](C(N)=O)c1ccccc1 ZINC000063763634 823694171 /nfs/dbraw/zinc/69/41/71/823694171.db2.gz HAXTZRROFRGJTD-JOCHJYFZSA-N 1 1 395.478 4.352 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCc1ccccc1Br ZINC000063771183 823694500 /nfs/dbraw/zinc/69/45/00/823694500.db2.gz SOILCBFYLJWFRT-UHFFFAOYSA-N 1 1 381.358 4.105 20 0 GIADMO CCc1ccc(C(=O)Nc2sccc2C(=O)NCCC[N@@H+](C)C(C)C)cc1 ZINC000063782485 823695481 /nfs/dbraw/zinc/69/54/81/823695481.db2.gz HDCIXKRPDDXVCD-UHFFFAOYSA-N 1 1 387.549 4.023 20 0 GIADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=S)Nc1cccc(Br)c1 ZINC000063791768 823696622 /nfs/dbraw/zinc/69/66/22/823696622.db2.gz JJLCHHHLFWUNJO-HZSPNIEDSA-N 1 1 384.387 4.102 20 0 GIADMO Cc1cc(NC(=O)C[N@H+](Cc2cccnc2)C(C)C)ccc1Br ZINC000125704497 823698377 /nfs/dbraw/zinc/69/83/77/823698377.db2.gz SVJBGJYLIJIZQA-UHFFFAOYSA-N 1 1 376.298 4.002 20 0 GIADMO Cc1cc(NC(=O)C[N@@H+](Cc2cccnc2)C(C)C)ccc1Br ZINC000125704497 823698380 /nfs/dbraw/zinc/69/83/80/823698380.db2.gz SVJBGJYLIJIZQA-UHFFFAOYSA-N 1 1 376.298 4.002 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000063822543 823699725 /nfs/dbraw/zinc/69/97/25/823699725.db2.gz SVSRDXPSDMYUOG-OAHLLOKOSA-N 1 1 387.351 4.391 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000063836238 823700694 /nfs/dbraw/zinc/70/06/94/823700694.db2.gz ICYHEUFQRUPEKV-LLVKDONJSA-N 1 1 382.348 4.184 20 0 GIADMO Cc1c([C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000125731618 823701462 /nfs/dbraw/zinc/70/14/62/823701462.db2.gz GMXUKBBNJONQOF-WBVHZDCISA-N 1 1 375.948 4.000 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCCSC[C@H]1C[N@H+](C)CCO1 ZINC000574320977 823702186 /nfs/dbraw/zinc/70/21/86/823702186.db2.gz BBDSYFKQUFDQAT-MRXNPFEDSA-N 1 1 399.000 4.247 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCCSC[C@H]1C[N@@H+](C)CCO1 ZINC000574320977 823702189 /nfs/dbraw/zinc/70/21/89/823702189.db2.gz BBDSYFKQUFDQAT-MRXNPFEDSA-N 1 1 399.000 4.247 20 0 GIADMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000574323504 823702936 /nfs/dbraw/zinc/70/29/36/823702936.db2.gz WRBKJLVFFCJNKW-ZOCIIQOWSA-N 1 1 382.895 4.486 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000574323504 823702937 /nfs/dbraw/zinc/70/29/37/823702937.db2.gz WRBKJLVFFCJNKW-ZOCIIQOWSA-N 1 1 382.895 4.486 20 0 GIADMO Cc1cnc(-c2cccc(NC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c2)o1 ZINC000163393076 823706171 /nfs/dbraw/zinc/70/61/71/823706171.db2.gz REGHEMKUJPGYMF-HRAATJIYSA-N 1 1 390.487 4.292 20 0 GIADMO Cc1cc2cc(CNC(=O)Nc3ccccc3C[NH+]3CCSCC3)ccc2[nH]1 ZINC000574349181 823706529 /nfs/dbraw/zinc/70/65/29/823706529.db2.gz MMCDCCUZYFLIJV-UHFFFAOYSA-N 1 1 394.544 4.347 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000413098844 823706706 /nfs/dbraw/zinc/70/67/06/823706706.db2.gz ATSQRKPYENXBBT-IRLDBZIGSA-N 1 1 399.579 4.062 20 0 GIADMO CC[C@@H](C[N@@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000191617480 823714461 /nfs/dbraw/zinc/71/44/61/823714461.db2.gz MWVSVEHJFSEZNL-AWEZNQCLSA-N 1 1 398.334 4.313 20 0 GIADMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000191646137 823722937 /nfs/dbraw/zinc/72/29/37/823722937.db2.gz PRJYBTROIYXACD-FQEVSTJZSA-N 1 1 375.538 4.050 20 0 GIADMO COc1ccc(C(C)(C)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574423417 823725720 /nfs/dbraw/zinc/72/57/20/823725720.db2.gz SRDCNNQYMMKDIJ-RUZDIDTESA-N 1 1 392.543 4.097 20 0 GIADMO CC(C)[NH+]1CCC(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)CC1 ZINC000461863772 823726674 /nfs/dbraw/zinc/72/66/74/823726674.db2.gz BRVYRULJCWQONA-UHFFFAOYSA-N 1 1 380.467 4.428 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)cs1)c1ccccc1 ZINC000191668290 823728045 /nfs/dbraw/zinc/72/80/45/823728045.db2.gz YFVVFVZRXMCUBQ-NRFANRHFSA-N 1 1 387.549 4.201 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cs1)c1ccccc1 ZINC000191668290 823728055 /nfs/dbraw/zinc/72/80/55/823728055.db2.gz YFVVFVZRXMCUBQ-NRFANRHFSA-N 1 1 387.549 4.201 20 0 GIADMO CC(C)(C)[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000461867883 823729108 /nfs/dbraw/zinc/72/91/08/823729108.db2.gz SFELTKGJDRKYLI-GGAORHGYSA-N 1 1 398.522 4.320 20 0 GIADMO CC(C)(C)[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000461867883 823729113 /nfs/dbraw/zinc/72/91/13/823729113.db2.gz SFELTKGJDRKYLI-GGAORHGYSA-N 1 1 398.522 4.320 20 0 GIADMO CC(C)(C)[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000461867885 823729146 /nfs/dbraw/zinc/72/91/46/823729146.db2.gz SFELTKGJDRKYLI-JTHBVZDNSA-N 1 1 398.522 4.320 20 0 GIADMO CC(C)(C)[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000461867885 823729154 /nfs/dbraw/zinc/72/91/54/823729154.db2.gz SFELTKGJDRKYLI-JTHBVZDNSA-N 1 1 398.522 4.320 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000163640481 823730715 /nfs/dbraw/zinc/73/07/15/823730715.db2.gz BENJVXCLMZNICG-KBAYOESNSA-N 1 1 398.469 4.173 20 0 GIADMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000574439702 823730812 /nfs/dbraw/zinc/73/08/12/823730812.db2.gz LLAISXRLKMBMCH-SFHVURJKSA-N 1 1 397.346 4.424 20 0 GIADMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000574439702 823730814 /nfs/dbraw/zinc/73/08/14/823730814.db2.gz LLAISXRLKMBMCH-SFHVURJKSA-N 1 1 397.346 4.424 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000163642432 823731296 /nfs/dbraw/zinc/73/12/96/823731296.db2.gz CNPXJLPJVBGBIN-HXUWFJFHSA-N 1 1 383.540 4.112 20 0 GIADMO C[NH+]1CCN(CCC(C)(C)Nc2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC000413222461 823732192 /nfs/dbraw/zinc/73/21/92/823732192.db2.gz BWFAHXIYOHTCNM-UHFFFAOYSA-N 1 1 397.901 4.049 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000163662502 823733917 /nfs/dbraw/zinc/73/39/17/823733917.db2.gz GUULMJZUWUVBOD-UONOGXRCSA-N 1 1 387.387 4.098 20 0 GIADMO O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461889040 823739817 /nfs/dbraw/zinc/73/98/17/823739817.db2.gz KWNJQIPJHUNANR-FQEVSTJZSA-N 1 1 378.501 4.198 20 0 GIADMO COc1ccc(C(C)(C)CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000064057520 823741615 /nfs/dbraw/zinc/74/16/15/823741615.db2.gz RRDNPDPGBTUAOJ-FQEVSTJZSA-N 1 1 380.532 4.001 20 0 GIADMO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461897707 823744080 /nfs/dbraw/zinc/74/40/80/823744080.db2.gz DQLXYHNYZASZRM-GFCCVEGCSA-N 1 1 382.291 4.410 20 0 GIADMO CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461906008 823748083 /nfs/dbraw/zinc/74/80/83/823748083.db2.gz DTYOIVQQCDJLBG-UHFFFAOYSA-N 1 1 379.863 4.115 20 0 GIADMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000574497088 823748975 /nfs/dbraw/zinc/74/89/75/823748975.db2.gz PZEVISHOFNQEGA-UKPHBRMFSA-N 1 1 376.451 4.396 20 0 GIADMO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC(F)(F)F ZINC000413319464 823751530 /nfs/dbraw/zinc/75/15/30/823751530.db2.gz DDKLKHDJXQLOMN-YDHLFZDLSA-N 1 1 377.476 4.019 20 0 GIADMO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)CC(F)(F)F ZINC000413319458 823751612 /nfs/dbraw/zinc/75/16/12/823751612.db2.gz DDKLKHDJXQLOMN-GZBFAFLISA-N 1 1 377.476 4.019 20 0 GIADMO CC[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC(F)(F)F ZINC000413325005 823752921 /nfs/dbraw/zinc/75/29/21/823752921.db2.gz JVOFIXHZOUOXNA-LZWOXQAQSA-N 1 1 391.503 4.409 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2OCC2CC2)C1 ZINC000191751658 823756743 /nfs/dbraw/zinc/75/67/43/823756743.db2.gz KDIAKJJSIUAYIL-QGZVFWFLSA-N 1 1 386.471 4.242 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1 ZINC000125972187 823756796 /nfs/dbraw/zinc/75/67/96/823756796.db2.gz DYXLNYHKJJTYQX-FGZHOGPDSA-N 1 1 375.447 4.125 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000125974045 823757360 /nfs/dbraw/zinc/75/73/60/823757360.db2.gz CWZNJHJQOCWEDO-FGZHOGPDSA-N 1 1 393.437 4.264 20 0 GIADMO C[C@H]1CCCN(c2cc(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)ccn2)C1 ZINC000461924435 823758049 /nfs/dbraw/zinc/75/80/49/823758049.db2.gz VFBBOZHPQNYSLL-FQEVSTJZSA-N 1 1 398.595 4.046 20 0 GIADMO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC(F)(F)F ZINC000413354029 823758263 /nfs/dbraw/zinc/75/82/63/823758263.db2.gz QAHDFPXGZNIGKB-SOLBZPMBSA-N 1 1 385.474 4.175 20 0 GIADMO C[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1cccc(Br)c1 ZINC000461925092 823758553 /nfs/dbraw/zinc/75/85/53/823758553.db2.gz ZWDAABDVCBVGSH-CYJAXWMASA-N 1 1 393.369 4.416 20 0 GIADMO O=C(Nc1cc(F)ccc1OCC1CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000191766053 823760412 /nfs/dbraw/zinc/76/04/12/823760412.db2.gz AMTSJEQPGJLNFS-JXFKEZNVSA-N 1 1 387.499 4.095 20 0 GIADMO O=C(NCCSCc1cccc2ccccc21)c1cc(C[NH+]2CCCC2)on1 ZINC000461931893 823763007 /nfs/dbraw/zinc/76/30/07/823763007.db2.gz QOSGAVHJWOIJIR-UHFFFAOYSA-N 1 1 395.528 4.087 20 0 GIADMO C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000574554106 823764325 /nfs/dbraw/zinc/76/43/25/823764325.db2.gz YFZMGQPIPOWNGD-QIJUGHKUSA-N 1 1 378.004 4.229 20 0 GIADMO COCCOCc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000574556854 823764967 /nfs/dbraw/zinc/76/49/67/823764967.db2.gz HOUAHBAVIGRLDX-QFIPXVFZSA-N 1 1 385.504 4.204 20 0 GIADMO O=C(Nc1cc2c(cc1Cl)CCC2=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000191785715 823768062 /nfs/dbraw/zinc/76/80/62/823768062.db2.gz BKKIHAGAOICPAS-KRWDZBQOSA-N 1 1 382.891 4.320 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCOc2cccc3ccccc32)c1 ZINC000064225150 823773554 /nfs/dbraw/zinc/77/35/54/823773554.db2.gz WBFSJCGKMMVJQI-UHFFFAOYSA-N 1 1 391.515 4.170 20 0 GIADMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000191806092 823775795 /nfs/dbraw/zinc/77/57/95/823775795.db2.gz NWLQJHYJIACZLN-WBVHZDCISA-N 1 1 391.334 4.470 20 0 GIADMO O=C(NCCOc1ccccc1-c1ccccc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461969550 823776675 /nfs/dbraw/zinc/77/66/75/823776675.db2.gz BQDULSPMZZONCS-QHCPKHFHSA-N 1 1 386.495 4.123 20 0 GIADMO O=C(NCCOc1ccccc1-c1ccccc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000461969550 823776676 /nfs/dbraw/zinc/77/66/76/823776676.db2.gz BQDULSPMZZONCS-QHCPKHFHSA-N 1 1 386.495 4.123 20 0 GIADMO CC[NH+]1CCN(c2ccc(-c3noc(-c4ccoc4C4CC4)n3)cc2F)CC1 ZINC000574603472 823777555 /nfs/dbraw/zinc/77/75/55/823777555.db2.gz KCAZLVMKBCHZJG-UHFFFAOYSA-N 1 1 382.439 4.155 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)c(OC)c1OC ZINC000126064524 823778321 /nfs/dbraw/zinc/77/83/21/823778321.db2.gz WEEAOSOFKYPMRJ-LLVKDONJSA-N 1 1 398.272 4.465 20 0 GIADMO COc1cccc(C2(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)CC2)c1 ZINC000461978418 823780119 /nfs/dbraw/zinc/78/01/19/823780119.db2.gz RQABKKMMQIOZMO-UXHICEINSA-N 1 1 399.579 4.023 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccoc3C(F)(F)F)c2)C[C@@H](C)O1 ZINC000574610014 823780395 /nfs/dbraw/zinc/78/03/95/823780395.db2.gz BNRGZOFUVNMBKQ-CHWSQXEVSA-N 1 1 382.382 4.160 20 0 GIADMO O=C(c1cnc(Cc2ccccc2)s1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000126080179 823782263 /nfs/dbraw/zinc/78/22/63/823782263.db2.gz UQTARJVMSDTNKT-IBGZPJMESA-N 1 1 389.524 4.359 20 0 GIADMO C[C@@H](Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)c1ccn(C)n1 ZINC000413465947 823783153 /nfs/dbraw/zinc/78/31/53/823783153.db2.gz WNGKJPHBSVYBAM-CQSZACIVSA-N 1 1 392.532 4.327 20 0 GIADMO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC(c2ccncn2)CC1 ZINC000413469821 823784339 /nfs/dbraw/zinc/78/43/39/823784339.db2.gz LQPNNNSZWOPCGE-UHFFFAOYSA-N 1 1 390.487 4.202 20 0 GIADMO CC[C@H](Cc1ccccc1Br)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000413506650 823789193 /nfs/dbraw/zinc/78/91/93/823789193.db2.gz VXPZEVBKSFNIOX-LZLYRXPVSA-N 1 1 395.385 4.349 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000126105652 823789191 /nfs/dbraw/zinc/78/91/91/823789191.db2.gz QWNIMTBZPVVXPX-LJQANCHMSA-N 1 1 387.321 4.488 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000126105652 823789198 /nfs/dbraw/zinc/78/91/98/823789198.db2.gz QWNIMTBZPVVXPX-LJQANCHMSA-N 1 1 387.321 4.488 20 0 GIADMO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831517 823789350 /nfs/dbraw/zinc/78/93/50/823789350.db2.gz AIPSZPHHYKPHHR-YLJYHZDGSA-N 1 1 381.545 4.238 20 0 GIADMO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831517 823789357 /nfs/dbraw/zinc/78/93/57/823789357.db2.gz AIPSZPHHYKPHHR-YLJYHZDGSA-N 1 1 381.545 4.238 20 0 GIADMO CC(=O)c1ccccc1NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000064316694 823790421 /nfs/dbraw/zinc/79/04/21/823790421.db2.gz QEEGJQRMAUVDEM-FQEVSTJZSA-N 1 1 390.405 4.282 20 0 GIADMO c1ccc(C[N@H+]2CCCO[C@@H](CN[C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000191838158 823792411 /nfs/dbraw/zinc/79/24/11/823792411.db2.gz ZRAODYANSUVECW-ZCYQVOJMSA-N 1 1 387.527 4.052 20 0 GIADMO CC(C)CCOc1ccc([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000462015904 823795789 /nfs/dbraw/zinc/79/57/89/823795789.db2.gz LXJBBQXAXBIUEQ-KRWDZBQOSA-N 1 1 385.508 4.186 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)c(OC)c1 ZINC000164421947 823802165 /nfs/dbraw/zinc/80/21/65/823802165.db2.gz BKRRRKLWQFCBRA-ZDUSSCGKSA-N 1 1 399.516 4.390 20 0 GIADMO CCCN1CCC([NH2+]Cc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)CC1 ZINC000462030482 823802766 /nfs/dbraw/zinc/80/27/66/823802766.db2.gz BLRFDZXSAWABCU-UHFFFAOYSA-N 1 1 394.485 4.472 20 0 GIADMO C[N@@H+](CCCNC(=O)N1CCC(OC2CCCCC2)CC1)Cc1ccccc1 ZINC000126167883 823804174 /nfs/dbraw/zinc/80/41/74/823804174.db2.gz PNHJRQNTGOPSLJ-UHFFFAOYSA-N 1 1 387.568 4.032 20 0 GIADMO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000191891363 823805188 /nfs/dbraw/zinc/80/51/88/823805188.db2.gz KLRHDKUYOLPSBE-QKNQBKEWSA-N 1 1 385.552 4.115 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(Oc4ccccc4)ccc3O)n1)OC2 ZINC000574724227 823810028 /nfs/dbraw/zinc/81/00/28/823810028.db2.gz BPXCPJXQEWSWET-SIKLNZKXSA-N 1 1 393.443 4.160 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sc(CC2CC2)nc1C ZINC000191928931 823813966 /nfs/dbraw/zinc/81/39/66/823813966.db2.gz FNMKEVGWNXIWLH-FQEVSTJZSA-N 1 1 397.588 4.388 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(Oc2cnccn2)CC1 ZINC000574739998 823815278 /nfs/dbraw/zinc/81/52/78/823815278.db2.gz RHAIPODWHBDTCA-CQSZACIVSA-N 1 1 384.867 4.389 20 0 GIADMO CN(C(=O)N[C@H]1CCc2sc(Cl)cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462061303 823816782 /nfs/dbraw/zinc/81/67/82/823816782.db2.gz QLUHNDCOEXGOQE-RDJZCZTQSA-N 1 1 389.952 4.305 20 0 GIADMO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3nccs3)C2=O)ccc1Br ZINC000164777755 823819041 /nfs/dbraw/zinc/81/90/41/823819041.db2.gz JVYYZMABBHHFLJ-WFASDCNBSA-N 1 1 394.338 4.060 20 0 GIADMO Cc1csc(SCc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)n1 ZINC000126246047 823820231 /nfs/dbraw/zinc/82/02/31/823820231.db2.gz BYVMIRFXXSOGLL-KSSFIOAISA-N 1 1 389.590 4.156 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)COC2CCCC2)CC1 ZINC000064448329 823820501 /nfs/dbraw/zinc/82/05/01/823820501.db2.gz UEGPTIBNOHAPNW-UHFFFAOYSA-N 1 1 398.469 4.087 20 0 GIADMO Cc1ccccc1-c1cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)n(C)n1 ZINC000462079529 823821469 /nfs/dbraw/zinc/82/14/69/823821469.db2.gz FKPIGQLQTYDTAP-QGZVFWFLSA-N 1 1 383.540 4.029 20 0 GIADMO CCC[C@@]1(CO)CC[N@@H+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)C1 ZINC000574788418 823826469 /nfs/dbraw/zinc/82/64/69/823826469.db2.gz BAMSERCRNGDSDP-OAQYLSRUSA-N 1 1 375.944 4.186 20 0 GIADMO CC[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000413735880 823828110 /nfs/dbraw/zinc/82/81/10/823828110.db2.gz IZUVIEQJKBJLMZ-FXAWDEMLSA-N 1 1 397.485 4.273 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000574798560 823829972 /nfs/dbraw/zinc/82/99/72/823829972.db2.gz RCJSOAPEZUIYDI-GOSISDBHSA-N 1 1 387.549 4.337 20 0 GIADMO C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000413748140 823832387 /nfs/dbraw/zinc/83/23/87/823832387.db2.gz MTBOCBAQZNPEQH-PXNSSMCTSA-N 1 1 397.485 4.273 20 0 GIADMO CCOc1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000064521275 823835410 /nfs/dbraw/zinc/83/54/10/823835410.db2.gz JUPHREPRYVPUTP-INIZCTEOSA-N 1 1 397.544 4.270 20 0 GIADMO CC(C)COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064522208 823835836 /nfs/dbraw/zinc/83/58/36/823835836.db2.gz UEKXLMPVDHDFCM-SFHVURJKSA-N 1 1 386.561 4.425 20 0 GIADMO Cc1cccc(-c2ccc(CNC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)c1 ZINC000462126431 823838130 /nfs/dbraw/zinc/83/81/30/823838130.db2.gz BBWHJQKCCDJOKV-UHFFFAOYSA-N 1 1 375.472 4.176 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+](Cc3c(Cl)cccc3OC)CC2)n1 ZINC000192036713 823839590 /nfs/dbraw/zinc/83/95/90/823839590.db2.gz QILYCANQLSYQSB-UHFFFAOYSA-N 1 1 394.924 4.361 20 0 GIADMO CC(C)OCc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000064543862 823840407 /nfs/dbraw/zinc/84/04/07/823840407.db2.gz QLWCVKAYCVBQFG-QFIPXVFZSA-N 1 1 381.520 4.398 20 0 GIADMO Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2ccncc2)n1 ZINC000064550812 823842325 /nfs/dbraw/zinc/84/23/25/823842325.db2.gz MZPGEFGJQVSGPJ-KRWDZBQOSA-N 1 1 379.533 4.233 20 0 GIADMO Cc1csc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1Br ZINC000192045707 823842841 /nfs/dbraw/zinc/84/28/41/823842841.db2.gz FPMNHHXNSPLVBI-CYBMUJFWSA-N 1 1 381.339 4.069 20 0 GIADMO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318412 823843417 /nfs/dbraw/zinc/84/34/17/823843417.db2.gz WRAOJIXADMBYJS-IRLDBZIGSA-N 1 1 391.559 4.029 20 0 GIADMO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318412 823843425 /nfs/dbraw/zinc/84/34/25/823843425.db2.gz WRAOJIXADMBYJS-IRLDBZIGSA-N 1 1 391.559 4.029 20 0 GIADMO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318536 823843467 /nfs/dbraw/zinc/84/34/67/823843467.db2.gz WRAOJIXADMBYJS-RBBKRZOGSA-N 1 1 391.559 4.029 20 0 GIADMO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318536 823843475 /nfs/dbraw/zinc/84/34/75/823843475.db2.gz WRAOJIXADMBYJS-RBBKRZOGSA-N 1 1 391.559 4.029 20 0 GIADMO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165334917 823844587 /nfs/dbraw/zinc/84/45/87/823844587.db2.gz XWLPFEQIRJURHB-UNMCSNQZSA-N 1 1 391.559 4.029 20 0 GIADMO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165334917 823844592 /nfs/dbraw/zinc/84/45/92/823844592.db2.gz XWLPFEQIRJURHB-UNMCSNQZSA-N 1 1 391.559 4.029 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000126346190 823845172 /nfs/dbraw/zinc/84/51/72/823845172.db2.gz MXJMPEDLOKAMTJ-CRAIPNDOSA-N 1 1 382.508 4.425 20 0 GIADMO COC(=O)[C@@H](C)C[N@@H+](Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CC1 ZINC000165361231 823845654 /nfs/dbraw/zinc/84/56/54/823845654.db2.gz BQAHHUXNLKLQRH-LBPRGKRZSA-N 1 1 382.382 4.134 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)n2)ccc1C ZINC000192062080 823847836 /nfs/dbraw/zinc/84/78/36/823847836.db2.gz YNECXISOSPIMSX-YLJYHZDGSA-N 1 1 399.878 4.327 20 0 GIADMO COc1nc2ccccc2cc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000574877242 823849623 /nfs/dbraw/zinc/84/96/23/823849623.db2.gz LDERYHVDKINZPO-SFHVURJKSA-N 1 1 390.405 4.476 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@@H]3c4ccccc4CCC[C@H]3C)CC2)[nH+]1 ZINC000462170749 823852575 /nfs/dbraw/zinc/85/25/75/823852575.db2.gz MJMSEHTUEDCVRI-HXOBKFHXSA-N 1 1 392.547 4.372 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000126385096 823853682 /nfs/dbraw/zinc/85/36/82/823853682.db2.gz JPGRUOZXJPDGIR-CVEARBPZSA-N 1 1 397.276 4.080 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1nc(-c2cccnc2)no1 ZINC000192082675 823854410 /nfs/dbraw/zinc/85/44/10/823854410.db2.gz GJPJGWJJERXNPX-ZTFRIQLXSA-N 1 1 388.830 4.105 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000192086461 823855711 /nfs/dbraw/zinc/85/57/11/823855711.db2.gz GXUPBCHWTYJGHX-FUHWJXTLSA-N 1 1 391.805 4.288 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000064643900 823856095 /nfs/dbraw/zinc/85/60/95/823856095.db2.gz XSHWIZJXYNWKIG-HOTGVXAUSA-N 1 1 377.579 4.390 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C2CC2)cc1 ZINC000064641548 823856132 /nfs/dbraw/zinc/85/61/32/823856132.db2.gz HQJYQYFJJNRCRN-YJBOKZPZSA-N 1 1 398.469 4.097 20 0 GIADMO C[C@@H](CCc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644495 823856792 /nfs/dbraw/zinc/85/67/92/823856792.db2.gz LEERQTXXBGUZTK-AZUAARDMSA-N 1 1 385.577 4.281 20 0 GIADMO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000126401879 823857993 /nfs/dbraw/zinc/85/79/93/823857993.db2.gz ZOVPBMMAJAQJMG-ZHRRBRCNSA-N 1 1 381.495 4.096 20 0 GIADMO O=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)[C@@H]1CC[NH2+]CC1(F)F ZINC000574911461 823859719 /nfs/dbraw/zinc/85/97/19/823859719.db2.gz ZPHOVJXJXUGJJC-ZDUSSCGKSA-N 1 1 391.418 4.286 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462188614 823860977 /nfs/dbraw/zinc/86/09/77/823860977.db2.gz ODWVYDRNBMLVIF-GJZGRUSLSA-N 1 1 399.348 4.272 20 0 GIADMO CSc1cc(C)ccc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000413891631 823861052 /nfs/dbraw/zinc/86/10/52/823861052.db2.gz GXENQKZUXWVKOX-UHFFFAOYSA-N 1 1 375.563 4.333 20 0 GIADMO Cc1ccc2c(CCC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c[nH]c2c1 ZINC000462189087 823861486 /nfs/dbraw/zinc/86/14/86/823861486.db2.gz PAZSWJMUERRTGY-JPYJTQIMSA-N 1 1 375.516 4.046 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000462193711 823863644 /nfs/dbraw/zinc/86/36/44/823863644.db2.gz FSOSIRQKNMMSPT-JTQLQIEISA-N 1 1 394.422 4.455 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1COC(C)(C)C ZINC000462196766 823865156 /nfs/dbraw/zinc/86/51/56/823865156.db2.gz QXSLLSSRKCFEIU-XMSQKQJNSA-N 1 1 380.532 4.252 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462198687 823866277 /nfs/dbraw/zinc/86/62/77/823866277.db2.gz KMRQQYHUVLYMIJ-GJZGRUSLSA-N 1 1 375.900 4.188 20 0 GIADMO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000192120488 823866389 /nfs/dbraw/zinc/86/63/89/823866389.db2.gz ZBEXEZZNMPFPQQ-ZFWWWQNUSA-N 1 1 395.450 4.295 20 0 GIADMO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000192120488 823866398 /nfs/dbraw/zinc/86/63/98/823866398.db2.gz ZBEXEZZNMPFPQQ-ZFWWWQNUSA-N 1 1 395.450 4.295 20 0 GIADMO Clc1cccc(-c2noc(CC[N@@H+]3CCO[C@@H](c4ccsc4)C3)n2)c1 ZINC000126437722 823866853 /nfs/dbraw/zinc/86/68/53/823866853.db2.gz ALDWKBZDKJESSW-MRXNPFEDSA-N 1 1 375.881 4.068 20 0 GIADMO Clc1cccc(-c2noc(CC[N@H+]3CCO[C@@H](c4ccsc4)C3)n2)c1 ZINC000126437722 823866861 /nfs/dbraw/zinc/86/68/61/823866861.db2.gz ALDWKBZDKJESSW-MRXNPFEDSA-N 1 1 375.881 4.068 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000064735318 823875216 /nfs/dbraw/zinc/87/52/16/823875216.db2.gz UDLGUIPYHIUFNW-RVKKMQEKSA-N 1 1 386.927 4.208 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2csc(-c3ccccc3F)n2)C1 ZINC000064736127 823875810 /nfs/dbraw/zinc/87/58/10/823875810.db2.gz BZGDGJZBWLFDIG-XHSDSOJGSA-N 1 1 387.524 4.427 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C1 ZINC000064736008 823875961 /nfs/dbraw/zinc/87/59/61/823875961.db2.gz DLKDXBOAXPUVHD-XQBPLPMBSA-N 1 1 379.548 4.478 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)on2)C1 ZINC000064735672 823875977 /nfs/dbraw/zinc/87/59/77/823875977.db2.gz GGDUKPOPPKKPSJ-XHSDSOJGSA-N 1 1 387.911 4.472 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1SCc1cscn1 ZINC000064737058 823876470 /nfs/dbraw/zinc/87/64/70/823876470.db2.gz AKGKYNDEVUSSAI-CQSZACIVSA-N 1 1 386.546 4.006 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000064738969 823877050 /nfs/dbraw/zinc/87/70/50/823877050.db2.gz UGKMCDPEWXVCFS-AWEZNQCLSA-N 1 1 387.351 4.340 20 0 GIADMO CC(C)[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192141230 823877472 /nfs/dbraw/zinc/87/74/72/823877472.db2.gz SQQKOPIUEQPYCJ-CQSZACIVSA-N 1 1 389.883 4.086 20 0 GIADMO CC(C)[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192141230 823877476 /nfs/dbraw/zinc/87/74/76/823877476.db2.gz SQQKOPIUEQPYCJ-CQSZACIVSA-N 1 1 389.883 4.086 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000064754723 823881067 /nfs/dbraw/zinc/88/10/67/823881067.db2.gz LFHBFQRTWAIHAX-RMJOCGACSA-N 1 1 387.593 4.228 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Oc1ccncc1 ZINC000126488317 823881913 /nfs/dbraw/zinc/88/19/13/823881913.db2.gz CAEZEXCDTJPFDK-UGKGYDQZSA-N 1 1 391.515 4.271 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000462228682 823883158 /nfs/dbraw/zinc/88/31/58/823883158.db2.gz DCFTYRFQXAWCIL-ZDUSSCGKSA-N 1 1 396.304 4.135 20 0 GIADMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000575000830 823883903 /nfs/dbraw/zinc/88/39/03/823883903.db2.gz OKEFQTCJTSJKSL-BDTNDASRSA-N 1 1 382.548 4.039 20 0 GIADMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000166942918 823884473 /nfs/dbraw/zinc/88/44/73/823884473.db2.gz MRXHTCUVFQDKBJ-AWEZNQCLSA-N 1 1 377.916 4.140 20 0 GIADMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000167003850 823884991 /nfs/dbraw/zinc/88/49/91/823884991.db2.gz VUBPVZSDFLECDS-HNNXBMFYSA-N 1 1 390.549 4.367 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)c1 ZINC000167168748 823887758 /nfs/dbraw/zinc/88/77/58/823887758.db2.gz VGJKRIAYYJOSCM-MSOLQXFVSA-N 1 1 385.504 4.278 20 0 GIADMO C[N@@H+](CCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000064804667 823888825 /nfs/dbraw/zinc/88/88/25/823888825.db2.gz SVDFQYPCKFUWBX-ROUUACIJSA-N 1 1 376.422 4.057 20 0 GIADMO CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2noc(C3CC3)n2)CC1)c1ccccc1 ZINC000462237747 823889286 /nfs/dbraw/zinc/88/92/86/823889286.db2.gz OOILPMORAQQBDF-OXQOHEQNSA-N 1 1 396.535 4.173 20 0 GIADMO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000462246952 823895712 /nfs/dbraw/zinc/89/57/12/823895712.db2.gz NARGQCYTXXBRKW-ZSZQSSIHSA-N 1 1 391.353 4.028 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167814040 823896500 /nfs/dbraw/zinc/89/65/00/823896500.db2.gz QXVZNQFPSPUAQV-KGLIPLIRSA-N 1 1 378.438 4.477 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)cc21 ZINC000462247971 823896670 /nfs/dbraw/zinc/89/66/70/823896670.db2.gz PXBKVXXRLGJDCQ-UTKZUKDTSA-N 1 1 391.519 4.259 20 0 GIADMO CCN(C(=O)c1cc(NC(C)=O)ccc1F)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000126551782 823896870 /nfs/dbraw/zinc/89/68/70/823896870.db2.gz RQVHMGRNCXOLOO-OXJNMPFZSA-N 1 1 397.494 4.082 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000167921001 823898008 /nfs/dbraw/zinc/89/80/08/823898008.db2.gz DUJGNJIKZYFLOE-JKSUJKDBSA-N 1 1 375.314 4.276 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000167920164 823898147 /nfs/dbraw/zinc/89/81/47/823898147.db2.gz DVCORCKJBCEICR-IAQYHMDHSA-N 1 1 381.293 4.489 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2C)[NH2+][C@@H](C)c2ccn(C)n2)cc1OC ZINC000414066125 823899574 /nfs/dbraw/zinc/89/95/74/823899574.db2.gz GRSGLVNHGGQYKN-UWJYYQICSA-N 1 1 379.504 4.380 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2C)[NH2+][C@H](C)c2ccn(C)n2)cc1OC ZINC000414066116 823899897 /nfs/dbraw/zinc/89/98/97/823899897.db2.gz GRSGLVNHGGQYKN-DYESRHJHSA-N 1 1 379.504 4.380 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3ccn(C)n3)c(C(F)(F)F)c2)n1 ZINC000414071872 823902129 /nfs/dbraw/zinc/90/21/29/823902129.db2.gz MBKOYNVOHDGLKS-CQSZACIVSA-N 1 1 377.414 4.092 20 0 GIADMO COc1cc(F)c([C@@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000168537954 823903632 /nfs/dbraw/zinc/90/36/32/823903632.db2.gz HOIVPYWACISJQX-JKSUJKDBSA-N 1 1 390.499 4.195 20 0 GIADMO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)s1 ZINC000414078342 823903831 /nfs/dbraw/zinc/90/38/31/823903831.db2.gz RWKFXCRHGHOBTR-HOTGVXAUSA-N 1 1 387.549 4.012 20 0 GIADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000168548941 823903996 /nfs/dbraw/zinc/90/39/96/823903996.db2.gz UMLQJHVROZPEBY-KSFYIVLOSA-N 1 1 398.503 4.174 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)cc1OC ZINC000168597207 823904411 /nfs/dbraw/zinc/90/44/11/823904411.db2.gz RRAHEWQYSRDTDC-HOTGVXAUSA-N 1 1 383.467 4.500 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)s1 ZINC000414084571 823905488 /nfs/dbraw/zinc/90/54/88/823905488.db2.gz XWKHVHHODBEYCH-JKSUJKDBSA-N 1 1 387.549 4.155 20 0 GIADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1Cl ZINC000192216447 823906382 /nfs/dbraw/zinc/90/63/82/823906382.db2.gz LTHAKQMRMBTAIO-KRWDZBQOSA-N 1 1 393.314 4.014 20 0 GIADMO C[C@@H](c1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1)[NH+]1CCOCC1 ZINC000192218368 823906950 /nfs/dbraw/zinc/90/69/50/823906950.db2.gz IBBOQFKAGVSABM-KRWDZBQOSA-N 1 1 379.504 4.279 20 0 GIADMO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414091590 823907053 /nfs/dbraw/zinc/90/70/53/823907053.db2.gz LUHFZTDKCGCKGA-KVJIRVJXSA-N 1 1 376.972 4.334 20 0 GIADMO CCN(C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[C@H](C)c1cccc(OC)c1 ZINC000462272353 823908703 /nfs/dbraw/zinc/90/87/03/823908703.db2.gz YFRZHEMNXRDNOL-GOSISDBHSA-N 1 1 396.535 4.292 20 0 GIADMO C[C@H](c1ccc(NC(=O)C[C@H](C)c2ccc(F)cc2F)cc1)[NH+]1CCOCC1 ZINC000126609376 823910331 /nfs/dbraw/zinc/91/03/31/823910331.db2.gz WZBYWILHQOZMRO-JKSUJKDBSA-N 1 1 388.458 4.490 20 0 GIADMO O=C1C[C@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)C(=O)N1c1cccc2ccccc21 ZINC000462285612 823912785 /nfs/dbraw/zinc/91/27/85/823912785.db2.gz BXQMDEWHPIHMSO-XXBNENTESA-N 1 1 384.479 4.036 20 0 GIADMO COc1ccc2oc(C[NH2+]Cc3cc4c(cc3OC(F)F)OCO4)cc2c1 ZINC000126621104 823913252 /nfs/dbraw/zinc/91/32/52/823913252.db2.gz GYUZZGINONDWFP-UHFFFAOYSA-N 1 1 377.343 4.061 20 0 GIADMO CCOc1ccc(F)c(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1F ZINC000462290051 823913849 /nfs/dbraw/zinc/91/38/49/823913849.db2.gz KRKXXGVJMWCFJE-YOEHRIQHSA-N 1 1 389.446 4.006 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1csc(-c2ccccc2)n1 ZINC000414129437 823916047 /nfs/dbraw/zinc/91/60/47/823916047.db2.gz IFJVOEAZUHDFBL-KXBFYZLASA-N 1 1 395.503 4.401 20 0 GIADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3coc4ccccc34)cc2)C1 ZINC000575145327 823922746 /nfs/dbraw/zinc/92/27/46/823922746.db2.gz JWEBPQWCGKBWFW-QGZVFWFLSA-N 1 1 378.472 4.335 20 0 GIADMO COc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1Cl ZINC000414177501 823923439 /nfs/dbraw/zinc/92/34/39/823923439.db2.gz JQVOKTVHCXGMEG-PBHICJAKSA-N 1 1 375.900 4.075 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2Br)cc1OC ZINC000575152313 823925190 /nfs/dbraw/zinc/92/51/90/823925190.db2.gz RXKYHKMSVMKVQP-SUMWQHHRSA-N 1 1 394.309 4.241 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CCN3)C1 ZINC000575154311 823925970 /nfs/dbraw/zinc/92/59/70/823925970.db2.gz GFQNBVAQNYUHNR-QGZVFWFLSA-N 1 1 378.520 4.208 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000414212691 823930083 /nfs/dbraw/zinc/93/00/83/823930083.db2.gz RPADWUIEJCKJAG-GOSISDBHSA-N 1 1 397.899 4.276 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000462339801 823930858 /nfs/dbraw/zinc/93/08/58/823930858.db2.gz KTPHVZBQLVZORG-UHFFFAOYSA-N 1 1 377.819 4.438 20 0 GIADMO CNc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000575175782 823931784 /nfs/dbraw/zinc/93/17/84/823931784.db2.gz RCAQDJXLOZSCPX-NHCUHLMSSA-N 1 1 399.922 4.098 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(I)c1)c1nccs1 ZINC000414217795 823931979 /nfs/dbraw/zinc/93/19/79/823931979.db2.gz CPOZNQJSAIKFCA-IUCAKERBSA-N 1 1 376.238 4.299 20 0 GIADMO CCCOc1ccc(Br)cc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000462345209 823933179 /nfs/dbraw/zinc/93/31/79/823933179.db2.gz JZHURYICTYANBH-QGZVFWFLSA-N 1 1 382.273 4.200 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)cs1 ZINC000170682336 823937113 /nfs/dbraw/zinc/93/71/13/823937113.db2.gz WLSUHEFAXQEJIW-MRXNPFEDSA-N 1 1 397.588 4.420 20 0 GIADMO CSc1ccc(CN(C)C(=O)C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1 ZINC000126730389 823937595 /nfs/dbraw/zinc/93/75/95/823937595.db2.gz JVGYJXXSLDJDKG-UHFFFAOYSA-N 1 1 389.590 4.191 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(c2ccncc2)CC1 ZINC000192297113 823938620 /nfs/dbraw/zinc/93/86/20/823938620.db2.gz NMPURGZFQYDBLU-UHFFFAOYSA-N 1 1 380.536 4.011 20 0 GIADMO c1ccc(-c2noc(C3CC[NH+](Cc4nc5ccccc5s4)CC3)n2)nc1 ZINC000170686488 823939021 /nfs/dbraw/zinc/93/90/21/823939021.db2.gz DXOJHDRAYFKYDJ-UHFFFAOYSA-N 1 1 377.473 4.121 20 0 GIADMO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1F ZINC000126740188 823939615 /nfs/dbraw/zinc/93/96/15/823939615.db2.gz JUUSJRKAIITFQJ-HUUCEWRRSA-N 1 1 393.503 4.299 20 0 GIADMO Nc1c(Cl)cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000192302434 823940399 /nfs/dbraw/zinc/94/03/99/823940399.db2.gz JFYHAYFFUREUOP-BZNIZROVSA-N 1 1 383.323 4.056 20 0 GIADMO COc1cncc(C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 ZINC000575213087 823940815 /nfs/dbraw/zinc/94/08/15/823940815.db2.gz UDSMJQUWINZNSW-FQEVSTJZSA-N 1 1 375.463 4.074 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cccc(Br)c1 ZINC000414254407 823942447 /nfs/dbraw/zinc/94/24/47/823942447.db2.gz ZZIDAZPSUCEAHW-MRXNPFEDSA-N 1 1 382.323 4.094 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H]3c3ccccc3C)CC2)cs1 ZINC000170694739 823942645 /nfs/dbraw/zinc/94/26/45/823942645.db2.gz DHQAMHZETDTFFG-OAQYLSRUSA-N 1 1 383.561 4.336 20 0 GIADMO Cc1cc([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)sc1Br ZINC000414254561 823942933 /nfs/dbraw/zinc/94/29/33/823942933.db2.gz MKUJMEDMUCJAJO-NSHDSACASA-N 1 1 388.352 4.073 20 0 GIADMO O=C(c1ccc(Sc2ccccn2)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126775144 823947857 /nfs/dbraw/zinc/94/78/57/823947857.db2.gz BHVLBFGSGIOHQL-RXVVDRJESA-N 1 1 393.556 4.322 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1 ZINC000192341343 823953268 /nfs/dbraw/zinc/95/32/68/823953268.db2.gz BCHIMYNLGOEKCJ-GOSISDBHSA-N 1 1 383.540 4.191 20 0 GIADMO Cc1ccc(C[N@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)C(C)C)s1 ZINC000065161963 823955220 /nfs/dbraw/zinc/95/52/20/823955220.db2.gz CZLXOLJQXSAHJE-UHFFFAOYSA-N 1 1 388.455 4.451 20 0 GIADMO O=C1CC[C@H](c2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)N1 ZINC000414310434 823955618 /nfs/dbraw/zinc/95/56/18/823955618.db2.gz HNEIIPUSLKDSTL-BXXSPATCSA-N 1 1 375.516 4.245 20 0 GIADMO CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2cnc(CC)nc2)cc1 ZINC000414312619 823956212 /nfs/dbraw/zinc/95/62/12/823956212.db2.gz NVWVBVQHLBFYDT-UHFFFAOYSA-N 1 1 378.476 4.305 20 0 GIADMO COCCCC[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccccc1 ZINC000065165519 823956427 /nfs/dbraw/zinc/95/64/27/823956427.db2.gz JFAMDGFYMMASRY-XMMPIXPASA-N 1 1 394.559 4.451 20 0 GIADMO COc1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c(Br)c1OC ZINC000192356232 823958209 /nfs/dbraw/zinc/95/82/09/823958209.db2.gz ZLLSIAOZFDSTRP-HNNXBMFYSA-N 1 1 392.293 4.339 20 0 GIADMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(Oc2cccc(C)c2)cn1 ZINC000575334723 823958255 /nfs/dbraw/zinc/95/82/55/823958255.db2.gz GQEPKDSZLBVWLD-SFHVURJKSA-N 1 1 390.487 4.246 20 0 GIADMO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCc4nnc(C5CC5)s4)[C@H]3C2)cc1 ZINC000414327549 823958969 /nfs/dbraw/zinc/95/89/69/823958969.db2.gz OSSDLRWMXRQLCF-UFYCRDLUSA-N 1 1 382.577 4.196 20 0 GIADMO O=C(NCCCCCOC1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126823144 823959530 /nfs/dbraw/zinc/95/95/30/823959530.db2.gz VTTXBVVWIBHZCB-DENIHFKCSA-N 1 1 391.600 4.164 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc([C@@H](C)O)cc2)c1 ZINC000170751957 823961079 /nfs/dbraw/zinc/96/10/79/823961079.db2.gz ZPZDOSUXYHFGGZ-QGZVFWFLSA-N 1 1 392.503 4.430 20 0 GIADMO Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)nnn1-c1cccc(Br)c1 ZINC000414346558 823962430 /nfs/dbraw/zinc/96/24/30/823962430.db2.gz UTLKRYXAFUJWRQ-HFBAOOFYSA-N 1 1 387.281 4.138 20 0 GIADMO Cc1nc2ccccn2c(=O)c1CC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000575369247 823963765 /nfs/dbraw/zinc/96/37/65/823963765.db2.gz HUACMVSWCZLWAT-UHFFFAOYSA-N 1 1 375.516 4.033 20 0 GIADMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NCc1ccc(S(C)(=O)=O)s1 ZINC000414360357 823964793 /nfs/dbraw/zinc/96/47/93/823964793.db2.gz NLTWTMPUAKKWFI-HNNXBMFYSA-N 1 1 378.563 4.451 20 0 GIADMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCc1ccc(S(C)(=O)=O)s1 ZINC000414360357 823964801 /nfs/dbraw/zinc/96/48/01/823964801.db2.gz NLTWTMPUAKKWFI-HNNXBMFYSA-N 1 1 378.563 4.451 20 0 GIADMO C[NH+](C)[C@H](C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc(Cl)c1 ZINC000575376347 823965208 /nfs/dbraw/zinc/96/52/08/823965208.db2.gz LJHSKBDHUONRHH-AEFFLSMTSA-N 1 1 398.856 4.480 20 0 GIADMO CS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCCC2)s1 ZINC000414368382 823966779 /nfs/dbraw/zinc/96/67/79/823966779.db2.gz SETNVTKFBKETGE-UHFFFAOYSA-N 1 1 385.501 4.379 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC000170774682 823967800 /nfs/dbraw/zinc/96/78/00/823967800.db2.gz CIQUZYJPFJODIK-UHFFFAOYSA-N 1 1 394.544 4.122 20 0 GIADMO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000170774682 823967805 /nfs/dbraw/zinc/96/78/05/823967805.db2.gz CIQUZYJPFJODIK-UHFFFAOYSA-N 1 1 394.544 4.122 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000170774682 823967810 /nfs/dbraw/zinc/96/78/10/823967810.db2.gz CIQUZYJPFJODIK-UHFFFAOYSA-N 1 1 394.544 4.122 20 0 GIADMO Cc1[nH+]ccn1CCSc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000575418895 823968895 /nfs/dbraw/zinc/96/88/95/823968895.db2.gz KFTCWQKFKXQOTD-UHFFFAOYSA-N 1 1 388.543 4.021 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000575427670 823969671 /nfs/dbraw/zinc/96/96/71/823969671.db2.gz XSOPYPXUEAOFRB-HZPDHXFCSA-N 1 1 389.927 4.241 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000575427670 823969683 /nfs/dbraw/zinc/96/96/83/823969683.db2.gz XSOPYPXUEAOFRB-HZPDHXFCSA-N 1 1 389.927 4.241 20 0 GIADMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126865530 823970104 /nfs/dbraw/zinc/97/01/04/823970104.db2.gz YRAWUMQGEKKRAJ-MJGOQNOKSA-N 1 1 377.488 4.054 20 0 GIADMO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(Oc2cccnc2)cc1 ZINC000575495501 823974599 /nfs/dbraw/zinc/97/45/99/823974599.db2.gz OMIAHJYBJDIHIU-AWEZNQCLSA-N 1 1 376.382 4.484 20 0 GIADMO CC(C)C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCc2cccnc21 ZINC000126887989 823974567 /nfs/dbraw/zinc/97/45/67/823974567.db2.gz REPXINOCCJMNLE-QZTJIDSGSA-N 1 1 397.485 4.218 20 0 GIADMO O=C(Nc1cccc(COc2ccc(F)cc2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000462436713 823975141 /nfs/dbraw/zinc/97/51/41/823975141.db2.gz OQXMFFGJHNTSOB-UHFFFAOYSA-N 1 1 395.434 4.241 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000414416724 823977673 /nfs/dbraw/zinc/97/76/73/823977673.db2.gz WLNUCTNEZPUVFH-CHAGWJKLSA-N 1 1 385.508 4.250 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000414416724 823977676 /nfs/dbraw/zinc/97/76/76/823977676.db2.gz WLNUCTNEZPUVFH-CHAGWJKLSA-N 1 1 385.508 4.250 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000575586988 823978074 /nfs/dbraw/zinc/97/80/74/823978074.db2.gz HZGJOTQRGSWKPT-OAHLLOKOSA-N 1 1 375.875 4.331 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CO)C2CCCC2)cs1)c1cccc(Cl)c1 ZINC000575623096 823979311 /nfs/dbraw/zinc/97/93/11/823979311.db2.gz YAWLGGNJOHTBET-SFHVURJKSA-N 1 1 393.940 4.122 20 0 GIADMO O=C(CCCc1ccccc1Cl)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000575628540 823979742 /nfs/dbraw/zinc/97/97/42/823979742.db2.gz LEGJMSJPSQTCMF-HXUWFJFHSA-N 1 1 384.951 4.344 20 0 GIADMO CC(C)C[N@@H+](CC(=O)N1CCc2sccc2C1)[C@@H]1CCCc2cccnc21 ZINC000126916468 823979954 /nfs/dbraw/zinc/97/99/54/823979954.db2.gz XUYJYRVZRYTALY-LJQANCHMSA-N 1 1 383.561 4.063 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)Nc1cccc2c1C[N@@H+](CCCOC)C2 ZINC000170822948 823980108 /nfs/dbraw/zinc/98/01/08/823980108.db2.gz HLEGPVZRXIZZCB-QGZVFWFLSA-N 1 1 381.520 4.040 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC(F)(F)[C@H](C)C3)cc2)C1 ZINC000575633437 823980753 /nfs/dbraw/zinc/98/07/53/823980753.db2.gz LXCSTGHHCVRQPE-FGTMMUONSA-N 1 1 393.522 4.351 20 0 GIADMO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000170834462 823985293 /nfs/dbraw/zinc/98/52/93/823985293.db2.gz VUIHCLVQUBDQMT-NRFANRHFSA-N 1 1 394.490 4.059 20 0 GIADMO CCc1ncc(CN[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000414436282 823985335 /nfs/dbraw/zinc/98/53/35/823985335.db2.gz BZNBEHPFJWGRPR-UXGKSEPASA-N 1 1 384.955 4.396 20 0 GIADMO CCc1ncc(CN[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000414436282 823985350 /nfs/dbraw/zinc/98/53/50/823985350.db2.gz BZNBEHPFJWGRPR-UXGKSEPASA-N 1 1 384.955 4.396 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccn2)cc1F ZINC000192423577 823985866 /nfs/dbraw/zinc/98/58/66/823985866.db2.gz VCRKAXXUWIEBDG-UHFFFAOYSA-N 1 1 393.344 4.055 20 0 GIADMO CS[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)c1ccccc1 ZINC000575754039 823986455 /nfs/dbraw/zinc/98/64/55/823986455.db2.gz GRSUJPOEEAAKBO-XLIONFOSSA-N 1 1 388.602 4.441 20 0 GIADMO Cc1ccc(-n2cc(C[N@H+]3CC[C@@H](O)[C@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000575756465 823986856 /nfs/dbraw/zinc/98/68/56/823986856.db2.gz JCTJBPMVQWPPSH-VGOFRKELSA-N 1 1 379.479 4.190 20 0 GIADMO CCn1ccc(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)n1 ZINC000414477617 823991765 /nfs/dbraw/zinc/99/17/65/823991765.db2.gz DBDOMWQFRIFSNU-UHFFFAOYSA-N 1 1 377.311 4.079 20 0 GIADMO C[NH+](C)Cc1cnc(CN2CC(Cc3ccccc3)(c3ccccc3)C2)s1 ZINC000414476036 823992098 /nfs/dbraw/zinc/99/20/98/823992098.db2.gz INNQEEFQMFRPQE-UHFFFAOYSA-N 1 1 377.557 4.201 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000575783665 823993972 /nfs/dbraw/zinc/99/39/72/823993972.db2.gz BDVFUHSJESIPOA-AWEZNQCLSA-N 1 1 387.446 4.246 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc3cc(OC)ccc3o2)c1 ZINC000414494351 823994623 /nfs/dbraw/zinc/99/46/23/823994623.db2.gz KEEGXJDCKXAZPJ-UHFFFAOYSA-N 1 1 393.892 4.178 20 0 GIADMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000414493039 823994805 /nfs/dbraw/zinc/99/48/05/823994805.db2.gz BHOPNEDTPCUOEN-LLVKDONJSA-N 1 1 384.332 4.027 20 0 GIADMO C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785893 823995343 /nfs/dbraw/zinc/99/53/43/823995343.db2.gz ABHWMKFORJDQEU-MHOPESGUSA-N 1 1 380.576 4.116 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C)c(N3CCNC3=O)c2)cc1 ZINC000575787660 823995743 /nfs/dbraw/zinc/99/57/43/823995743.db2.gz XSCDGMROKAMTTK-MRXNPFEDSA-N 1 1 375.476 4.192 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000170872160 823996378 /nfs/dbraw/zinc/99/63/78/823996378.db2.gz YNRIOUOAMSZNLV-AWEZNQCLSA-N 1 1 391.512 4.296 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000170872160 823996384 /nfs/dbraw/zinc/99/63/84/823996384.db2.gz YNRIOUOAMSZNLV-AWEZNQCLSA-N 1 1 391.512 4.296 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]CC(C)(C)OCC2CC2)cs1)c1ccc(C)cc1 ZINC000414515188 823999421 /nfs/dbraw/zinc/99/94/21/823999421.db2.gz LAJOTEOGSKUVQL-UHFFFAOYSA-N 1 1 387.549 4.431 20 0 GIADMO COc1ccc2c(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000192462862 824000250 /nfs/dbraw/zinc/00/02/50/824000250.db2.gz LMFPJNUWWMSFCK-UHFFFAOYSA-N 1 1 395.430 4.036 20 0 GIADMO COc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)ccc1OCc1ccncc1 ZINC000414520282 824000394 /nfs/dbraw/zinc/00/03/94/824000394.db2.gz CVJJWPPCMOUVMF-QHCPKHFHSA-N 1 1 396.531 4.306 20 0 GIADMO Fc1ccc(OCc2noc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)cc1 ZINC000575815907 824002608 /nfs/dbraw/zinc/00/26/08/824002608.db2.gz JFORGRYOWUTQOV-SFHVURJKSA-N 1 1 381.451 4.210 20 0 GIADMO OC1(CNCc2csc(Cl)c2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000414530148 824002861 /nfs/dbraw/zinc/00/28/61/824002861.db2.gz XAUJODLJJRXJNJ-UHFFFAOYSA-N 1 1 385.360 4.172 20 0 GIADMO O=C1CCCN1Cc1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000192471360 824003845 /nfs/dbraw/zinc/00/38/45/824003845.db2.gz KOVFJSSPTPIRJG-UHFFFAOYSA-N 1 1 391.284 4.000 20 0 GIADMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(OCc2cccnc2)c1 ZINC000414534521 824003953 /nfs/dbraw/zinc/00/39/53/824003953.db2.gz GQDFYXRZLJPBMR-HSZRJFAPSA-N 1 1 396.531 4.306 20 0 GIADMO CN(C[C@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1)C(=O)OC(C)(C)C ZINC000170918134 824005200 /nfs/dbraw/zinc/00/52/00/824005200.db2.gz PIYGDHJRRVWRAV-CQSZACIVSA-N 1 1 377.510 4.092 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1)C(=O)OC(C)(C)C ZINC000170918134 824005209 /nfs/dbraw/zinc/00/52/09/824005209.db2.gz PIYGDHJRRVWRAV-CQSZACIVSA-N 1 1 377.510 4.092 20 0 GIADMO C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000575830217 824006193 /nfs/dbraw/zinc/00/61/93/824006193.db2.gz LAPZDDWOBPXTDR-KGLIPLIRSA-N 1 1 388.393 4.208 20 0 GIADMO Cc1cc(Br)cn2c(C[N@@H+]3CC4(CCOCC4)[C@@H]3C(C)C)cnc12 ZINC000414541122 824006447 /nfs/dbraw/zinc/00/64/47/824006447.db2.gz PTEMELJHEISQJG-KRWDZBQOSA-N 1 1 392.341 4.042 20 0 GIADMO Cc1cc(Br)cn2c(C[N@H+]3CC4(CCOCC4)[C@@H]3C(C)C)cnc12 ZINC000414541122 824006454 /nfs/dbraw/zinc/00/64/54/824006454.db2.gz PTEMELJHEISQJG-KRWDZBQOSA-N 1 1 392.341 4.042 20 0 GIADMO CC[N@@H+](Cc1cccc(Br)c1)Cc1cc(OC)c(O)c(OC)c1 ZINC000575837009 824008292 /nfs/dbraw/zinc/00/82/92/824008292.db2.gz HEZYSJCTLXUZFE-UHFFFAOYSA-N 1 1 380.282 4.194 20 0 GIADMO COCCOCc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000414550012 824009137 /nfs/dbraw/zinc/00/91/37/824009137.db2.gz IRXKPMQABICBKR-QHCPKHFHSA-N 1 1 381.516 4.203 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)ccc1OCC(C)C ZINC000414550464 824009528 /nfs/dbraw/zinc/00/95/28/824009528.db2.gz NCARGNVISNDHEM-HXUWFJFHSA-N 1 1 388.552 4.097 20 0 GIADMO CCc1ncc(C[N@@H+](C[C@@H](O)COc2ccccc2SC)C(C)C)s1 ZINC000414555818 824011412 /nfs/dbraw/zinc/01/14/12/824011412.db2.gz MRWSDGFYIHRZMC-OAHLLOKOSA-N 1 1 380.579 4.078 20 0 GIADMO CC(C)C[N@@H+](CCC(=O)Nc1cc(N)ccc1F)[C@H]1CCCc2cccnc21 ZINC000127075677 824012035 /nfs/dbraw/zinc/01/20/35/824012035.db2.gz ZVKQYZLCMCNKTR-FQEVSTJZSA-N 1 1 384.499 4.167 20 0 GIADMO COc1ccccc1-n1nccc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414559775 824012636 /nfs/dbraw/zinc/01/26/36/824012636.db2.gz QHNBMYGJDCETJJ-HSZRJFAPSA-N 1 1 389.499 4.235 20 0 GIADMO COc1ccccc1-n1nccc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414559775 824012642 /nfs/dbraw/zinc/01/26/42/824012642.db2.gz QHNBMYGJDCETJJ-HSZRJFAPSA-N 1 1 389.499 4.235 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CCO1 ZINC000414560306 824013192 /nfs/dbraw/zinc/01/31/92/824013192.db2.gz QVBMVWKNLZSSCT-HYBUGGRVSA-N 1 1 392.543 4.265 20 0 GIADMO COc1ccc(C[C@H]([NH2+]Cc2nccn2C(F)F)c2ccc(OC)cc2)cc1 ZINC000192504799 824013633 /nfs/dbraw/zinc/01/36/33/824013633.db2.gz HLBZCYMFMHSHMN-IBGZPJMESA-N 1 1 387.430 4.369 20 0 GIADMO CC(C)C[N@@H+](CCC(=O)N1CCc2sccc2C1)[C@@H]1CCCc2cccnc21 ZINC000127092136 824015413 /nfs/dbraw/zinc/01/54/13/824015413.db2.gz UJCCVBNEDUYIEK-HXUWFJFHSA-N 1 1 397.588 4.454 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCC(c4ccccc4C)CC3)CC2)[nH+]c1 ZINC000170955281 824017189 /nfs/dbraw/zinc/01/71/89/824017189.db2.gz UVUPQRXFQKQPFV-UHFFFAOYSA-N 1 1 377.532 4.321 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000127124510 824022374 /nfs/dbraw/zinc/02/23/74/824022374.db2.gz DCIWBXDUTVWDKH-UHFFFAOYSA-N 1 1 391.906 4.369 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)Cc3cccc(OCC=C(C)C)c3)sc2C1 ZINC000414672993 824022663 /nfs/dbraw/zinc/02/26/63/824022663.db2.gz BHJUDRHEOXXCBS-UHFFFAOYSA-N 1 1 385.533 4.047 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)Cc3cccc(OCC=C(C)C)c3)sc2C1 ZINC000414672993 824022672 /nfs/dbraw/zinc/02/26/72/824022672.db2.gz BHJUDRHEOXXCBS-UHFFFAOYSA-N 1 1 385.533 4.047 20 0 GIADMO COCCNc1ccc(C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000127138774 824024493 /nfs/dbraw/zinc/02/44/93/824024493.db2.gz JLVSRVIYUVZHCZ-OAHLLOKOSA-N 1 1 399.926 4.138 20 0 GIADMO COc1ccc(C[NH+]2CCC(F)(c3cccnc3)CC2)c(Br)c1 ZINC000575907412 824025953 /nfs/dbraw/zinc/02/59/53/824025953.db2.gz FCFWCDRBUIZCJD-UHFFFAOYSA-N 1 1 379.273 4.314 20 0 GIADMO CCC([NH3+])(CC)CN[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414811190 824038282 /nfs/dbraw/zinc/03/82/82/824038282.db2.gz PBGNCQWMBMNBLH-NSHDSACASA-N 1 1 379.854 4.183 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H](N)c1ccccc1 ZINC000414839867 824040917 /nfs/dbraw/zinc/04/09/17/824040917.db2.gz WRFOBQJLPZOFMQ-HXUWFJFHSA-N 1 1 399.336 4.041 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@H]3CCC[C@H]3C(C)(C)C)CC2)oc1C ZINC000575969425 824041343 /nfs/dbraw/zinc/04/13/43/824041343.db2.gz FWVZSGAEPLHLQD-MOPGFXCFSA-N 1 1 390.572 4.017 20 0 GIADMO COc1cc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccccc2C)cc(OC)c1OC ZINC000171033328 824043421 /nfs/dbraw/zinc/04/34/21/824043421.db2.gz GGRUYOGSSXMWFH-IBGZPJMESA-N 1 1 398.503 4.187 20 0 GIADMO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](Cc3cc(C(C)=O)no3)C2)n1 ZINC000575999318 824047139 /nfs/dbraw/zinc/04/71/39/824047139.db2.gz FWGHZROZVITHDM-OAHLLOKOSA-N 1 1 397.500 4.389 20 0 GIADMO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](Cc3cc(C(C)=O)no3)C2)n1 ZINC000575999318 824047152 /nfs/dbraw/zinc/04/71/52/824047152.db2.gz FWGHZROZVITHDM-OAHLLOKOSA-N 1 1 397.500 4.389 20 0 GIADMO COc1cc(CN[C@@H](C)CC[NH3+])ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414903496 824047993 /nfs/dbraw/zinc/04/79/93/824047993.db2.gz ZVRRYPBCGXQHSB-AWEZNQCLSA-N 1 1 382.426 4.120 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)c1 ZINC000192625358 824048761 /nfs/dbraw/zinc/04/87/61/824048761.db2.gz MIJMSTDQKVKDSM-NWDGAFQWSA-N 1 1 380.847 4.174 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1)C1CCCCC1 ZINC000192630325 824050285 /nfs/dbraw/zinc/05/02/85/824050285.db2.gz AVBMLIUXQOTRFO-JOCHJYFZSA-N 1 1 381.520 4.306 20 0 GIADMO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1cnn(-c3ccccc3)c1)CCC2 ZINC000192643595 824054727 /nfs/dbraw/zinc/05/47/27/824054727.db2.gz GMWBIKAYQHIPNB-SFHVURJKSA-N 1 1 379.460 4.118 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1Br ZINC000109485786 205659687 /nfs/dbraw/zinc/65/96/87/205659687.db2.gz USBCOWCHJIQMBQ-UHFFFAOYSA-N 1 1 391.334 4.250 20 0 GIADMO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000097037709 206223843 /nfs/dbraw/zinc/22/38/43/206223843.db2.gz ZOYNJFVWJXVVLA-NVXWUHKLSA-N 1 1 380.851 4.121 20 0 GIADMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000097037709 206223848 /nfs/dbraw/zinc/22/38/48/206223848.db2.gz ZOYNJFVWJXVVLA-NVXWUHKLSA-N 1 1 380.851 4.121 20 0 GIADMO Clc1ccc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164620495 719064481 /nfs/dbraw/zinc/06/44/81/719064481.db2.gz FNMYZPCGEFPAII-DYESRHJHSA-N 1 1 378.907 4.384 20 0 GIADMO c1csc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164621672 719085455 /nfs/dbraw/zinc/08/54/55/719085455.db2.gz HKAFZQQORJYWIU-QUCCMNQESA-N 1 1 376.529 4.306 20 0 GIADMO Cc1nc(-c2ccncc2)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164625128 719104239 /nfs/dbraw/zinc/10/42/39/719104239.db2.gz GQMCEWWMTKSHQV-GOTSBHOMSA-N 1 1 399.542 4.256 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164636685 719171351 /nfs/dbraw/zinc/17/13/51/719171351.db2.gz MZINISVKFQXZOQ-VHSXEESVSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164636685 719171353 /nfs/dbraw/zinc/17/13/53/719171353.db2.gz MZINISVKFQXZOQ-VHSXEESVSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164632264 719184358 /nfs/dbraw/zinc/18/43/58/719184358.db2.gz DRXCSRCWGUKLDC-UWVGGRQHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164632264 719184366 /nfs/dbraw/zinc/18/43/66/719184366.db2.gz DRXCSRCWGUKLDC-UWVGGRQHSA-N 1 1 375.250 4.010 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc4cc(F)ccc4n2)CC3)cs1 ZINC001164691268 719811991 /nfs/dbraw/zinc/81/19/91/719811991.db2.gz CJSZNJPVHSJVDO-UHFFFAOYSA-N 1 1 397.523 4.169 20 0 GIADMO Cc1cc2ncnc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2s1 ZINC001164691524 719812764 /nfs/dbraw/zinc/81/27/64/719812764.db2.gz GBTALAYLQZWCNS-UHFFFAOYSA-N 1 1 399.589 4.400 20 0 GIADMO CSCc1ccnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164691264 719815850 /nfs/dbraw/zinc/81/58/50/719815850.db2.gz CEFZHLCOLWINNQ-UHFFFAOYSA-N 1 1 388.606 4.345 20 0 GIADMO CSc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(C)c1 ZINC001164699243 719896882 /nfs/dbraw/zinc/89/68/82/719896882.db2.gz YFBWIHGYOSIVSL-UHFFFAOYSA-N 1 1 389.590 4.045 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3ccc(C)cc31)C2 ZINC001164814384 720144717 /nfs/dbraw/zinc/14/47/17/720144717.db2.gz SDLUXIDKCOFLJA-WMZHIEFXSA-N 1 1 399.966 4.381 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C3CCCCC3)nc(C)n1)C2 ZINC001164818102 720157255 /nfs/dbraw/zinc/15/72/55/720157255.db2.gz RTYLRMUSIIIWRT-ZJSXRUAMSA-N 1 1 398.595 4.017 20 0 GIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727372 720337723 /nfs/dbraw/zinc/33/77/23/720337723.db2.gz UBLHUPDRHQXNTB-CVEARBPZSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727372 720337729 /nfs/dbraw/zinc/33/77/29/720337729.db2.gz UBLHUPDRHQXNTB-CVEARBPZSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721427 720340829 /nfs/dbraw/zinc/34/08/29/720340829.db2.gz BZTZHEVVAKRRFP-HZPDHXFCSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721427 720340833 /nfs/dbraw/zinc/34/08/33/720340833.db2.gz BZTZHEVVAKRRFP-HZPDHXFCSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721423 720341452 /nfs/dbraw/zinc/34/14/52/720341452.db2.gz BZTZHEVVAKRRFP-CVEARBPZSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721423 720341460 /nfs/dbraw/zinc/34/14/60/720341460.db2.gz BZTZHEVVAKRRFP-CVEARBPZSA-N 1 1 399.272 4.182 20 0 GIADMO Cc1ccc(F)c2cc(C)c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164726514 720405155 /nfs/dbraw/zinc/40/51/55/720405155.db2.gz PAONMNVFOHQTCT-SFTDATJTSA-N 1 1 376.479 4.239 20 0 GIADMO Cc1cc(Cl)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164843323 720661429 /nfs/dbraw/zinc/66/14/29/720661429.db2.gz WFNCXIOJEQUCAG-HXUWFJFHSA-N 1 1 385.939 4.303 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C(C)(C)C)ncn1)CC2 ZINC001164838993 720711562 /nfs/dbraw/zinc/71/15/62/720711562.db2.gz JYBVSXOGECZIAQ-HXUWFJFHSA-N 1 1 394.563 4.034 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164840903 720723015 /nfs/dbraw/zinc/72/30/15/720723015.db2.gz SDSAOZLXUXUKES-OAQYLSRUSA-N 1 1 392.547 4.004 20 0 GIADMO FC(F)(c1cc2ccccc2nc1Cl)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164769614 721293038 /nfs/dbraw/zinc/29/30/38/721293038.db2.gz KADOXGPRQVAQJH-UHFFFAOYSA-N 1 1 377.866 4.355 20 0 GIADMO Cc1ccc2c(C)cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2c1C ZINC001164788124 721428736 /nfs/dbraw/zinc/42/87/36/721428736.db2.gz RXTRLEDCVDULNY-ROUUACIJSA-N 1 1 378.545 4.185 20 0 GIADMO Fc1cccc2c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)cc(Cl)nc12 ZINC001164782696 721437023 /nfs/dbraw/zinc/43/70/23/721437023.db2.gz HJBCLJRILRFBRE-BETUJISGSA-N 1 1 388.899 4.052 20 0 GIADMO Fc1cccc2cc(Cl)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164782588 721439697 /nfs/dbraw/zinc/43/96/97/721439697.db2.gz KGNDAOBWEKMKEE-ZIAGYGMSSA-N 1 1 388.899 4.052 20 0 GIADMO Cc1cc2c(ncnc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)s1 ZINC001164793419 721489115 /nfs/dbraw/zinc/48/91/15/721489115.db2.gz SAMRUUXRSUAANL-UHFFFAOYSA-N 1 1 393.560 4.276 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164791622 721491372 /nfs/dbraw/zinc/49/13/72/721491372.db2.gz CQSWCKVWKIMLKR-UHFFFAOYSA-N 1 1 397.954 4.283 20 0 GIADMO Cc1nnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c2ccccc12 ZINC001164795441 721499897 /nfs/dbraw/zinc/49/98/97/721499897.db2.gz HBXHJPSGOKFPOK-UHFFFAOYSA-N 1 1 387.531 4.214 20 0 GIADMO Cc1cccc2ncc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc12 ZINC001164909407 721751978 /nfs/dbraw/zinc/75/19/78/721751978.db2.gz RJIXQASECKHQDI-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1cccc2ncc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc12 ZINC001164909407 721751988 /nfs/dbraw/zinc/75/19/88/721751988.db2.gz RJIXQASECKHQDI-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO CC(C)c1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164908966 721755015 /nfs/dbraw/zinc/75/50/15/721755015.db2.gz ANAZRAWVCUIKMP-UHFFFAOYSA-N 1 1 376.504 4.388 20 0 GIADMO CC(C)c1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164908966 721755021 /nfs/dbraw/zinc/75/50/21/721755021.db2.gz ANAZRAWVCUIKMP-UHFFFAOYSA-N 1 1 376.504 4.388 20 0 GIADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc2[nH]ccc21 ZINC001164909580 721758306 /nfs/dbraw/zinc/75/83/06/721758306.db2.gz IOOIDEZOWLDQPW-UHFFFAOYSA-N 1 1 387.487 4.054 20 0 GIADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc2[nH]ccc21 ZINC001164909580 721758312 /nfs/dbraw/zinc/75/83/12/721758312.db2.gz IOOIDEZOWLDQPW-UHFFFAOYSA-N 1 1 387.487 4.054 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccnc(-c4ccccc4)n3)C[C@H]21 ZINC001165028131 721803915 /nfs/dbraw/zinc/80/39/15/721803915.db2.gz YPNWGCPALSTQCZ-MDNUFGMLSA-N 1 1 399.542 4.276 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]21 ZINC001165026151 721804312 /nfs/dbraw/zinc/80/43/12/721804312.db2.gz QAIIJDAXDSVWMB-JCTONOIOSA-N 1 1 399.542 4.276 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c3CCC4)C[C@H]21 ZINC001165025004 721806839 /nfs/dbraw/zinc/80/68/39/721806839.db2.gz NAUJJOWJWALGFY-LDQXTDLNSA-N 1 1 396.966 4.356 20 0 GIADMO Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165024168 721813929 /nfs/dbraw/zinc/81/39/29/721813929.db2.gz JKIXMDBOTYVIIS-ZEYPLWLESA-N 1 1 387.531 4.070 20 0 GIADMO CSCc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165022197 721827560 /nfs/dbraw/zinc/82/75/60/721827560.db2.gz GQCVOZOOTAKBLQ-SESVDKBCSA-N 1 1 382.577 4.077 20 0 GIADMO CSCc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1 ZINC001165022192 721827648 /nfs/dbraw/zinc/82/76/48/721827648.db2.gz GQCVOZOOTAKBLQ-JBACZVJFSA-N 1 1 382.577 4.077 20 0 GIADMO Cc1ccc(CN2CCOC3(CCN(c4cc(OC(C)C)cc[nH+]4)CC3)C2)cc1 ZINC001164940933 721927314 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SAFDSPUILZJYEN-PXNSSMCTSA-N 1 1 394.563 4.298 20 0 GIADMO COc1ccc2c(CC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)coc2c1 ZINC000176102720 823121166 /nfs/dbraw/zinc/12/11/66/823121166.db2.gz HPGCOFLUENBEGH-YLJYHZDGSA-N 1 1 392.499 4.153 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176112939 823124459 /nfs/dbraw/zinc/12/44/59/823124459.db2.gz AVJSONFVCSRHMJ-HIFRSBDPSA-N 1 1 378.850 4.401 20 0 GIADMO C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000571070029 823127745 /nfs/dbraw/zinc/12/77/45/823127745.db2.gz BSKYYVJQRCJSNX-KSSFIOAISA-N 1 1 390.936 4.026 20 0 GIADMO Cc1sc2[nH]c(C[N@@H+](C)[C@@H]3CCSC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000121161849 823130186 /nfs/dbraw/zinc/13/01/86/823130186.db2.gz DNJMDTHKPLYZJR-OAHLLOKOSA-N 1 1 385.558 4.206 20 0 GIADMO Cc1sc2[nH]c(C[N@H+](C)[C@@H]3CCSC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000121161849 823130190 /nfs/dbraw/zinc/13/01/90/823130190.db2.gz DNJMDTHKPLYZJR-OAHLLOKOSA-N 1 1 385.558 4.206 20 0 GIADMO CCCCc1oc2ccccc2c1CN(C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000121157867 823129540 /nfs/dbraw/zinc/12/95/40/823129540.db2.gz OZWFGJPUKMLYNC-KRWDZBQOSA-N 1 1 383.536 4.401 20 0 GIADMO C[C@]1(C[NH2+]Cc2csc(COc3ccccc3)n2)OCCc2sccc21 ZINC000571092709 823131157 /nfs/dbraw/zinc/13/11/57/823131157.db2.gz STLURPDZVBVWTA-HXUWFJFHSA-N 1 1 386.542 4.361 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Cc2coc(-c3cccs3)n2)CC[N@H+]1Cc1ccccc1 ZINC000176135185 823132634 /nfs/dbraw/zinc/13/26/34/823132634.db2.gz WLVIPOCRVGLAMF-FUHWJXTLSA-N 1 1 395.528 4.115 20 0 GIADMO C[C@H](NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000459133209 823132952 /nfs/dbraw/zinc/13/29/52/823132952.db2.gz CCOGXCJLJUJFIH-XAPVIXHLSA-N 1 1 386.584 4.292 20 0 GIADMO CC(C)n1cccc1C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000121193818 823135983 /nfs/dbraw/zinc/13/59/83/823135983.db2.gz PXAPFUJVPRALHM-UHFFFAOYSA-N 1 1 392.503 4.118 20 0 GIADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121193753 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20 0 GIADMO Cc1csc([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)n1 ZINC000176331391 823184040 /nfs/dbraw/zinc/18/40/40/823184040.db2.gz OWWMROQUEYGTJL-MRXNPFEDSA-N 1 1 398.532 4.237 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000121435940 823184137 /nfs/dbraw/zinc/18/41/37/823184137.db2.gz AUFCMYUYQACCCQ-GFCCVEGCSA-N 1 1 391.364 4.208 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3(c4cccc(F)c4)CC3)c2)C[C@H](C)O1 ZINC000121438316 823184757 /nfs/dbraw/zinc/18/47/57/823184757.db2.gz PWCCZHSNGPOBHF-CALCHBBNSA-N 1 1 382.479 4.105 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3(c4cccc(F)c4)CC3)c2)C[C@H](C)O1 ZINC000121438316 823184758 /nfs/dbraw/zinc/18/47/58/823184758.db2.gz PWCCZHSNGPOBHF-CALCHBBNSA-N 1 1 382.479 4.105 20 0 GIADMO CCO[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000121446147 823186105 /nfs/dbraw/zinc/18/61/05/823186105.db2.gz UJNVJYJZSXGADH-KGVIQGDOSA-N 1 1 382.504 4.012 20 0 GIADMO CCO[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000121446147 823186108 /nfs/dbraw/zinc/18/61/08/823186108.db2.gz UJNVJYJZSXGADH-KGVIQGDOSA-N 1 1 382.504 4.012 20 0 GIADMO Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459412742 823187244 /nfs/dbraw/zinc/18/72/44/823187244.db2.gz RQNLPRAZVAOVNI-NRFANRHFSA-N 1 1 387.462 4.374 20 0 GIADMO CCN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccc(OC)cc1 ZINC000459399104 823183548 /nfs/dbraw/zinc/18/35/48/823183548.db2.gz ZGZYGENKCQCQAY-UHFFFAOYSA-N 1 1 385.533 4.302 20 0 GIADMO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)cc2O1 ZINC000188117270 823189158 /nfs/dbraw/zinc/18/91/58/823189158.db2.gz IBEWAJYYYWBKRJ-MSOLQXFVSA-N 1 1 387.524 4.453 20 0 GIADMO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459439902 823192147 /nfs/dbraw/zinc/19/21/47/823192147.db2.gz NAQYGTZMQJAZHH-UHFFFAOYSA-N 1 1 391.446 4.083 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCn3nc(C(C)C)nc32)[C@H]1Sc1ccccc1 ZINC000459439060 823192193 /nfs/dbraw/zinc/19/21/93/823192193.db2.gz VLKKNSKTSWLMKU-INDMIFKZSA-N 1 1 386.565 4.164 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000176369615 823192890 /nfs/dbraw/zinc/19/28/90/823192890.db2.gz CMFMTOBSWXITIN-HLLBOEOZSA-N 1 1 379.957 4.145 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1F ZINC000056702806 823195765 /nfs/dbraw/zinc/19/57/65/823195765.db2.gz ZYXVAXVRKRCSAT-UHFFFAOYSA-N 1 1 385.483 4.273 20 0 GIADMO CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)n1 ZINC000176376708 823193943 /nfs/dbraw/zinc/19/39/43/823193943.db2.gz YCQHMUNCIDIMPF-FQEVSTJZSA-N 1 1 390.487 4.211 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000176378857 823194221 /nfs/dbraw/zinc/19/42/21/823194221.db2.gz RSAWTSUZXGFRFM-UHFFFAOYSA-N 1 1 395.385 4.352 20 0 GIADMO O[C@H](CNC1CC[NH+](C2CCCC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000571516382 823194895 /nfs/dbraw/zinc/19/48/95/823194895.db2.gz MZMRUEJNDDOFGZ-OAQYLSRUSA-N 1 1 391.559 4.152 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000459465413 823197983 /nfs/dbraw/zinc/19/79/83/823197983.db2.gz OFCYQRSEQMJLEG-FHWLQOOXSA-N 1 1 393.453 4.239 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000459465413 823197985 /nfs/dbraw/zinc/19/79/85/823197985.db2.gz OFCYQRSEQMJLEG-FHWLQOOXSA-N 1 1 393.453 4.239 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cccc4ncccc43)c2)C[C@H](C)O1 ZINC000121515755 823198069 /nfs/dbraw/zinc/19/80/69/823198069.db2.gz GWSCKUIQJZGGAT-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cccc4ncccc43)c2)C[C@H](C)O1 ZINC000121515755 823198076 /nfs/dbraw/zinc/19/80/76/823198076.db2.gz GWSCKUIQJZGGAT-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO CCc1ccc2c(C[N@@H+]3CC[C@@H](CN(CC)CC(F)(F)F)C3)cc(=O)oc2c1 ZINC000176398135 823199394 /nfs/dbraw/zinc/19/93/94/823199394.db2.gz INZZMIIVFACYDP-INIZCTEOSA-N 1 1 396.453 4.062 20 0 GIADMO CC(C)S(=O)(=O)c1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000571560802 823200477 /nfs/dbraw/zinc/20/04/77/823200477.db2.gz HMJGHSHSCNSDSL-IYBDPMFKSA-N 1 1 377.472 4.422 20 0 GIADMO COc1c(C)cnc(CN2CCC([N@@H+](C)C/C=C/c3ccc(F)cc3)CC2)c1C ZINC000571569343 823201782 /nfs/dbraw/zinc/20/17/82/823201782.db2.gz ZLVRUFGIKCYIPU-AATRIKPKSA-N 1 1 397.538 4.456 20 0 GIADMO COc1ccccc1[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000121564391 823206626 /nfs/dbraw/zinc/20/66/26/823206626.db2.gz HIKIMIUGVGRKHQ-ZJCBTPCYSA-N 1 1 387.527 4.432 20 0 GIADMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459497579 823204530 /nfs/dbraw/zinc/20/45/30/823204530.db2.gz JYFOFEQMDTVCMQ-KRWDZBQOSA-N 1 1 384.545 4.297 20 0 GIADMO Cc1oc(-c2ccccc2)c(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000188216720 823204899 /nfs/dbraw/zinc/20/48/99/823204899.db2.gz MMTMLTGAGXUHDU-CALCHBBNSA-N 1 1 384.520 4.183 20 0 GIADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459509723 823207685 /nfs/dbraw/zinc/20/76/85/823207685.db2.gz LFYRSUXXHGMVCD-CLNPQZTCSA-N 1 1 394.559 4.056 20 0 GIADMO C[C@H]1CN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC[N@H+]1CC(C)(C)O ZINC000459509755 823207766 /nfs/dbraw/zinc/20/77/66/823207766.db2.gz LKZSWRPIVSCBKU-CLNPQZTCSA-N 1 1 394.559 4.056 20 0 GIADMO CN(C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000056761702 823208504 /nfs/dbraw/zinc/20/85/04/823208504.db2.gz SSMHXTHPCFTBPQ-QHCPKHFHSA-N 1 1 393.531 4.103 20 0 GIADMO COc1ccc2c(c1)C[N@H+]([C@H]1CCCN(C(C)C)C1=O)[C@@H](c1ccccc1)C2 ZINC000571632489 823212213 /nfs/dbraw/zinc/21/22/13/823212213.db2.gz ZNFWCCAZSISOHM-XZOQPEGZSA-N 1 1 378.516 4.194 20 0 GIADMO COc1ccc2c(c1)C[N@@H+]([C@H]1CCCN(C(C)C)C1=O)[C@@H](c1ccccc1)C2 ZINC000571632489 823212217 /nfs/dbraw/zinc/21/22/17/823212217.db2.gz ZNFWCCAZSISOHM-XZOQPEGZSA-N 1 1 378.516 4.194 20 0 GIADMO c1c2c(sc1-c1nnc(C[N@@H+]3CC[C@H](Nc4ccccc4)C3)o1)CCCC2 ZINC000121579636 823210102 /nfs/dbraw/zinc/21/01/02/823210102.db2.gz GOZJGQHYMFZOSK-KRWDZBQOSA-N 1 1 380.517 4.363 20 0 GIADMO c1c2c(sc1-c1nnc(C[N@H+]3CC[C@H](Nc4ccccc4)C3)o1)CCCC2 ZINC000121579636 823210106 /nfs/dbraw/zinc/21/01/06/823210106.db2.gz GOZJGQHYMFZOSK-KRWDZBQOSA-N 1 1 380.517 4.363 20 0 GIADMO Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)c2)o1 ZINC000176452847 823210544 /nfs/dbraw/zinc/21/05/44/823210544.db2.gz COGFCFPXYDOHLF-HXUWFJFHSA-N 1 1 394.450 4.177 20 0 GIADMO Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)c2)o1 ZINC000176452847 823210546 /nfs/dbraw/zinc/21/05/46/823210546.db2.gz COGFCFPXYDOHLF-HXUWFJFHSA-N 1 1 394.450 4.177 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459522553 823210621 /nfs/dbraw/zinc/21/06/21/823210621.db2.gz IMOLLTBQDJDVKR-SFHVURJKSA-N 1 1 380.561 4.193 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459522553 823210624 /nfs/dbraw/zinc/21/06/24/823210624.db2.gz IMOLLTBQDJDVKR-SFHVURJKSA-N 1 1 380.561 4.193 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc(Cl)cc3F)sc2C1 ZINC000188266051 823211108 /nfs/dbraw/zinc/21/11/08/823211108.db2.gz GPUBWEAQLWEFKK-UHFFFAOYSA-N 1 1 381.904 4.230 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc(Cl)cc3F)sc2C1 ZINC000188266051 823211111 /nfs/dbraw/zinc/21/11/11/823211111.db2.gz GPUBWEAQLWEFKK-UHFFFAOYSA-N 1 1 381.904 4.230 20 0 GIADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(-c2nncs2)cc1 ZINC000459525277 823211337 /nfs/dbraw/zinc/21/13/37/823211337.db2.gz CAJVAYAVRFHSKT-UHFFFAOYSA-N 1 1 395.532 4.237 20 0 GIADMO COCc1cc(C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]2C)no1 ZINC000459549600 823217929 /nfs/dbraw/zinc/21/79/29/823217929.db2.gz FCEWLNUWFSTSJH-JXFKEZNVSA-N 1 1 388.508 4.419 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000121600992 823214127 /nfs/dbraw/zinc/21/41/27/823214127.db2.gz OXHWKQRTSJYVLJ-GOSISDBHSA-N 1 1 394.519 4.038 20 0 GIADMO COc1csc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000176468335 823214271 /nfs/dbraw/zinc/21/42/71/823214271.db2.gz QITLVDQOZLGKJE-UHFFFAOYSA-N 1 1 398.450 4.124 20 0 GIADMO COc1csc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000176468335 823214276 /nfs/dbraw/zinc/21/42/76/823214276.db2.gz QITLVDQOZLGKJE-UHFFFAOYSA-N 1 1 398.450 4.124 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000459535980 823214487 /nfs/dbraw/zinc/21/44/87/823214487.db2.gz QUMBWDTZYYKPBX-UHFFFAOYSA-N 1 1 385.924 4.412 20 0 GIADMO CCO[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)[C@H]1Sc1ccccc1 ZINC000459537657 823215163 /nfs/dbraw/zinc/21/51/63/823215163.db2.gz SBOKJJBYOAORLL-ZSYZGHEHSA-N 1 1 384.545 4.182 20 0 GIADMO CCOc1cc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc(Cl)c1O ZINC000459549655 823217785 /nfs/dbraw/zinc/21/77/85/823217785.db2.gz FWXJURQCULJSCZ-GOEBONIOSA-N 1 1 393.936 4.445 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccco1 ZINC000056838008 823220703 /nfs/dbraw/zinc/22/07/03/823220703.db2.gz ADKRFTYKEMWLEU-IBGZPJMESA-N 1 1 399.441 4.249 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cn2ccc(=S)c3ccccc32)C1)c1ccccc1 ZINC000176496075 823221044 /nfs/dbraw/zinc/22/10/44/823221044.db2.gz QOOJLDAUUATGBU-SFHVURJKSA-N 1 1 391.540 4.470 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000409454671 823222664 /nfs/dbraw/zinc/22/26/64/823222664.db2.gz SYDCFOGOAXNCLW-BEFAXECRSA-N 1 1 379.891 4.454 20 0 GIADMO Cc1[nH+]cn(-c2ccc(NCc3ccccc3N3CCO[C@@H](C)C3)cc2)c1C ZINC000459554361 823219103 /nfs/dbraw/zinc/21/91/03/823219103.db2.gz DWPCJCNDHQOFID-KRWDZBQOSA-N 1 1 376.504 4.326 20 0 GIADMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000459574220 823223559 /nfs/dbraw/zinc/22/35/59/823223559.db2.gz RYTIZLDBOZADOJ-GGAORHGYSA-N 1 1 394.515 4.002 20 0 GIADMO C[C@H]1CC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C[C@@H]1n1ccnc1 ZINC000121671170 823227055 /nfs/dbraw/zinc/22/70/55/823227055.db2.gz XSYAPCMPISOJKZ-BBRMVZONSA-N 1 1 377.464 4.304 20 0 GIADMO C[C@H]1CC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C[C@@H]1n1ccnc1 ZINC000121671170 823227060 /nfs/dbraw/zinc/22/70/60/823227060.db2.gz XSYAPCMPISOJKZ-BBRMVZONSA-N 1 1 377.464 4.304 20 0 GIADMO COc1cccc2c(N3CCC(C(=O)N4CCC(C)CC4)CC3)cc(C)[nH+]c12 ZINC000121689269 823230885 /nfs/dbraw/zinc/23/08/85/823230885.db2.gz XRHJPSQZNGLURY-UHFFFAOYSA-N 1 1 381.520 4.027 20 0 GIADMO CC[S@@](=O)c1ccccc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000121697908 823232949 /nfs/dbraw/zinc/23/29/49/823232949.db2.gz SXPKNTDIDHNSQB-JMQGSBJISA-N 1 1 398.572 4.119 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H]2CCCc3ccccc32)cc1F ZINC000409482088 823231190 /nfs/dbraw/zinc/23/11/90/823231190.db2.gz CPXLZJGQLASDKE-LJQANCHMSA-N 1 1 377.463 4.446 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](CCOc2ccccc2Cl)CC12CCOCC2 ZINC000459631769 823233040 /nfs/dbraw/zinc/23/30/40/823233040.db2.gz BYELGXNHZYZSPW-INIZCTEOSA-N 1 1 377.834 4.400 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000571779067 823233320 /nfs/dbraw/zinc/23/33/20/823233320.db2.gz GEFUIYMAGJNSHB-IAGOWNOFSA-N 1 1 389.506 4.119 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459633772 823233755 /nfs/dbraw/zinc/23/37/55/823233755.db2.gz FCGLNDUEYTYBKK-RDJZCZTQSA-N 1 1 384.442 4.003 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459633772 823233759 /nfs/dbraw/zinc/23/37/59/823233759.db2.gz FCGLNDUEYTYBKK-RDJZCZTQSA-N 1 1 384.442 4.003 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)c1nc2c(s1)CCC2 ZINC000459634419 823234064 /nfs/dbraw/zinc/23/40/64/823234064.db2.gz MYJSNNYYFKJQKL-VNHYZAJKSA-N 1 1 375.563 4.096 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nc2c(s1)CCC2 ZINC000459634382 823234096 /nfs/dbraw/zinc/23/40/96/823234096.db2.gz MQYDSTBSDVLZMW-CQSZACIVSA-N 1 1 389.540 4.249 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)c1cnc2cnccc2c1)C1CCCCC1 ZINC000409493313 823234135 /nfs/dbraw/zinc/23/41/35/823234135.db2.gz UNCBKZBLNTWHRX-UHFFFAOYSA-N 1 1 388.515 4.324 20 0 GIADMO CS(=O)(=O)C[C@@H]([NH2+]Cc1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000121705027 823234177 /nfs/dbraw/zinc/23/41/77/823234177.db2.gz JHUQKOQAHDQJIW-JOCHJYFZSA-N 1 1 381.497 4.354 20 0 GIADMO CC[C@@H](NC(=O)C[NH2+][C@H](C)c1nc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000459642708 823236021 /nfs/dbraw/zinc/23/60/21/823236021.db2.gz ZMONUWDFYWCCSA-IUODEOHRSA-N 1 1 377.941 4.203 20 0 GIADMO Cc1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1-c1ccccc1 ZINC000459643414 823236405 /nfs/dbraw/zinc/23/64/05/823236405.db2.gz CQVVXAMANCZKMF-LJQANCHMSA-N 1 1 393.453 4.362 20 0 GIADMO CCn1nc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c2ccccc21 ZINC000459647938 823238022 /nfs/dbraw/zinc/23/80/22/823238022.db2.gz KSCQPXAHUGDIFY-SFHVURJKSA-N 1 1 381.442 4.237 20 0 GIADMO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459658100 823242462 /nfs/dbraw/zinc/24/24/62/823242462.db2.gz IVSNDSYWFNDOLS-GOSISDBHSA-N 1 1 399.453 4.433 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459650235 823238873 /nfs/dbraw/zinc/23/88/73/823238873.db2.gz XCUXSOIHBMKNJJ-SFHVURJKSA-N 1 1 398.469 4.430 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459650235 823238875 /nfs/dbraw/zinc/23/88/75/823238875.db2.gz XCUXSOIHBMKNJJ-SFHVURJKSA-N 1 1 398.469 4.430 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2cnc3ccc(Cl)cn23)CC12CCOCC2 ZINC000459659340 823242900 /nfs/dbraw/zinc/24/29/00/823242900.db2.gz ZIOOXTRLDCSKOE-HNNXBMFYSA-N 1 1 387.833 4.169 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnc3ccc(Cl)cn23)CC12CCOCC2 ZINC000459659340 823242905 /nfs/dbraw/zinc/24/29/05/823242905.db2.gz ZIOOXTRLDCSKOE-HNNXBMFYSA-N 1 1 387.833 4.169 20 0 GIADMO COc1cc2nc(C[N@@H+](C)[C@@H]3CCC[C@H]3c3ccccc3)[nH]c(=O)c2cc1OC ZINC000459671489 823247439 /nfs/dbraw/zinc/24/74/39/823247439.db2.gz GTBQDSPTXNPRAB-QFBILLFUSA-N 1 1 393.487 4.121 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459673002 823247681 /nfs/dbraw/zinc/24/76/81/823247681.db2.gz LNMMQMMVTVLLBP-JZWVFAODSA-N 1 1 390.527 4.105 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459673002 823247683 /nfs/dbraw/zinc/24/76/83/823247683.db2.gz LNMMQMMVTVLLBP-JZWVFAODSA-N 1 1 390.527 4.105 20 0 GIADMO CC(C)[N@H+]1CCc2nc(CN[C@@H]3C[C@H]3c3c(F)cccc3Cl)sc2C1 ZINC000459668348 823246379 /nfs/dbraw/zinc/24/63/79/823246379.db2.gz PMWLXARQEWUIIU-MLGOLLRUSA-N 1 1 379.932 4.348 20 0 GIADMO COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)oc1C ZINC000459669931 823246867 /nfs/dbraw/zinc/24/68/67/823246867.db2.gz VDPDTLQQDCNHKH-LRDDRELGSA-N 1 1 389.414 4.117 20 0 GIADMO CCC(CC)n1nccc1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000121779093 823248829 /nfs/dbraw/zinc/24/88/29/823248829.db2.gz SXDGNYLALKKWFS-IAGOWNOFSA-N 1 1 384.524 4.106 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)[nH+]c1 ZINC000176627834 823252524 /nfs/dbraw/zinc/25/25/24/823252524.db2.gz RNVZCVYEHWRLEX-UHFFFAOYSA-N 1 1 376.460 4.264 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cn1 ZINC000057118414 823250641 /nfs/dbraw/zinc/25/06/41/823250641.db2.gz ZXXOIFHLBAWXCJ-FQEVSTJZSA-N 1 1 395.482 4.301 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459692957 823251913 /nfs/dbraw/zinc/25/19/13/823251913.db2.gz ILVAQVNRVITLNG-PXNSSMCTSA-N 1 1 399.922 4.036 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NC(c2ccccc2)c2ccccc2)cn1 ZINC000057127198 823252004 /nfs/dbraw/zinc/25/20/04/823252004.db2.gz FUSBKBMGAFYHAA-UHFFFAOYSA-N 1 1 397.482 4.165 20 0 GIADMO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000057131316 823253108 /nfs/dbraw/zinc/25/31/08/823253108.db2.gz HICDNALXTQLWFI-MOPGFXCFSA-N 1 1 391.437 4.254 20 0 GIADMO CCC(CC)n1nccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121804401 823254669 /nfs/dbraw/zinc/25/46/69/823254669.db2.gz KDMZXJNVOGMPQR-WIYYLYMNSA-N 1 1 382.552 4.369 20 0 GIADMO Cn1nccc1[C@@H](CO)[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000459722018 823256628 /nfs/dbraw/zinc/25/66/28/823256628.db2.gz UUEVNPMUMRLUST-GOSISDBHSA-N 1 1 391.393 4.054 20 0 GIADMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057155701 823256681 /nfs/dbraw/zinc/25/66/81/823256681.db2.gz QQISQDCSQVLBQJ-SFHVURJKSA-N 1 1 391.490 4.104 20 0 GIADMO Oc1cccc(C[N@@H+](Cc2coc(-c3ccccc3)n2)[C@H]2CC[C@H](O)CC2)c1 ZINC000571937102 823257204 /nfs/dbraw/zinc/25/72/04/823257204.db2.gz MCDDIHIZDDCBLR-MEMLXQNLSA-N 1 1 378.472 4.353 20 0 GIADMO Oc1cccc(C[N@H+](Cc2coc(-c3ccccc3)n2)[C@H]2CC[C@H](O)CC2)c1 ZINC000571937102 823257209 /nfs/dbraw/zinc/25/72/09/823257209.db2.gz MCDDIHIZDDCBLR-MEMLXQNLSA-N 1 1 378.472 4.353 20 0 GIADMO CC(C)c1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000409601311 823258543 /nfs/dbraw/zinc/25/85/43/823258543.db2.gz PTDJZXQLUOFRNA-GOSISDBHSA-N 1 1 381.520 4.352 20 0 GIADMO CC(C)c1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000409601311 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Cc1nc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)oc1-c1ccc(Cl)cc1 ZINC000176909374 823321994 /nfs/dbraw/zinc/32/19/94/823321994.db2.gz LLWHNYIWONDYMI-HNNXBMFYSA-N 1 1 376.884 4.467 20 0 GIADMO Cc1nc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)oc1-c1ccc(Cl)cc1 ZINC000176909374 823322000 /nfs/dbraw/zinc/32/20/00/823322000.db2.gz LLWHNYIWONDYMI-HNNXBMFYSA-N 1 1 376.884 4.467 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000572328498 823322114 /nfs/dbraw/zinc/32/21/14/823322114.db2.gz LXDYHFYFAUUZNT-CQSZACIVSA-N 1 1 389.446 4.025 20 0 GIADMO COc1ccc2c(CC(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)coc2c1 ZINC000014628791 818255244 /nfs/dbraw/zinc/25/52/44/818255244.db2.gz RFXPJWGLQJAMGH-LJQANCHMSA-N 1 1 386.879 4.056 20 0 GIADMO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc2)n1 ZINC000014628821 818255472 /nfs/dbraw/zinc/25/54/72/818255472.db2.gz FLYIWCABWMVPLY-NRFANRHFSA-N 1 1 396.922 4.175 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cccn1-c1c(Cl)cccc1Cl ZINC000409852355 823326336 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GIADMO CC[C@@H](C)c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000015038204 818286134 /nfs/dbraw/zinc/28/61/34/818286134.db2.gz BZRBMXCPAZOVJZ-LJQANCHMSA-N 1 1 395.547 4.107 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)[C@@H](C)C1 ZINC000572357480 823326833 /nfs/dbraw/zinc/32/68/33/823326833.db2.gz XTXLQENVINNBMR-KSFYIVLOSA-N 1 1 376.504 4.032 20 0 GIADMO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)[C@@H](C)C1 ZINC000572357480 823326840 /nfs/dbraw/zinc/32/68/40/823326840.db2.gz XTXLQENVINNBMR-KSFYIVLOSA-N 1 1 376.504 4.032 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)[C@@H](C)C1 ZINC000572357480 823326843 /nfs/dbraw/zinc/32/68/43/823326843.db2.gz XTXLQENVINNBMR-KSFYIVLOSA-N 1 1 376.504 4.032 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(Br)cc1 ZINC000015295952 818307828 /nfs/dbraw/zinc/30/78/28/818307828.db2.gz MOMXVQAJXCGJFV-UHFFFAOYSA-N 1 1 383.236 4.188 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(Br)cc1 ZINC000015295952 818307835 /nfs/dbraw/zinc/30/78/35/818307835.db2.gz MOMXVQAJXCGJFV-UHFFFAOYSA-N 1 1 383.236 4.188 20 0 GIADMO O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000572365981 823328129 /nfs/dbraw/zinc/32/81/29/823328129.db2.gz FJPQFEHPUCJGCS-QWHCGFSZSA-N 1 1 388.340 4.056 20 0 GIADMO COCC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccccc1 ZINC000015452435 818326799 /nfs/dbraw/zinc/32/67/99/818326799.db2.gz YEXSWFGQJBYIDV-QHCPKHFHSA-N 1 1 394.540 4.102 20 0 GIADMO COCC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccccc1 ZINC000015452435 818326807 /nfs/dbraw/zinc/32/68/07/818326807.db2.gz YEXSWFGQJBYIDV-QHCPKHFHSA-N 1 1 394.540 4.102 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015507825 818331912 /nfs/dbraw/zinc/33/19/12/818331912.db2.gz DCZFSPVGUGJFRO-OAHLLOKOSA-N 1 1 385.895 4.018 20 0 GIADMO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nnc2ccccn21 ZINC000015593855 818343653 /nfs/dbraw/zinc/34/36/53/818343653.db2.gz 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C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000057800482 823334691 /nfs/dbraw/zinc/33/46/91/823334691.db2.gz CGXNMEQAYVYNNN-AWEZNQCLSA-N 1 1 394.866 4.164 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000057800482 823334700 /nfs/dbraw/zinc/33/47/00/823334700.db2.gz CGXNMEQAYVYNNN-AWEZNQCLSA-N 1 1 394.866 4.164 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000057808780 823335243 /nfs/dbraw/zinc/33/52/43/823335243.db2.gz PIQPIPDRJWTUAZ-CYBMUJFWSA-N 1 1 375.778 4.376 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000016343034 818426733 /nfs/dbraw/zinc/42/67/33/818426733.db2.gz WBCOAPHORPTEKY-QGZVFWFLSA-N 1 1 392.499 4.166 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000016343034 818426739 /nfs/dbraw/zinc/42/67/39/818426739.db2.gz WBCOAPHORPTEKY-QGZVFWFLSA-N 1 1 392.499 4.166 20 0 GIADMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000016355609 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GIADMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000572417919 823336073 /nfs/dbraw/zinc/33/60/73/823336073.db2.gz QGRUAQOSRKWYCZ-LBPRGKRZSA-N 1 1 376.220 4.260 20 0 GIADMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000572417919 823336079 /nfs/dbraw/zinc/33/60/79/823336079.db2.gz QGRUAQOSRKWYCZ-LBPRGKRZSA-N 1 1 376.220 4.260 20 0 GIADMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000016384668 818433261 /nfs/dbraw/zinc/43/32/61/818433261.db2.gz VOGFDNQODQAMGC-YHLJFGAHSA-N 1 1 395.591 4.192 20 0 GIADMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000016384668 818433268 /nfs/dbraw/zinc/43/32/68/818433268.db2.gz VOGFDNQODQAMGC-YHLJFGAHSA-N 1 1 395.591 4.192 20 0 GIADMO Cc1c([C@H](C)NCc2ccccc2OCC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000122313694 823336306 /nfs/dbraw/zinc/33/63/06/823336306.db2.gz LKCYTGIEKIYVKK-KRWDZBQOSA-N 1 1 396.510 4.111 20 0 GIADMO Cc1cc(CNC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000572419420 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Cc1ccc(OCC[N@H+](C)CC(=O)Nc2ccccc2SC(F)F)cc1 ZINC000016422031 818441093 /nfs/dbraw/zinc/44/10/93/818441093.db2.gz RHQKWRSZISOUJG-UHFFFAOYSA-N 1 1 380.460 4.259 20 0 GIADMO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1ccccc1 ZINC000016444801 818442846 /nfs/dbraw/zinc/44/28/46/818442846.db2.gz VGKWPEJOKHSEAM-GOSISDBHSA-N 1 1 379.485 4.151 20 0 GIADMO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)Cc1ccccc1 ZINC000016444801 818442860 /nfs/dbraw/zinc/44/28/60/818442860.db2.gz VGKWPEJOKHSEAM-GOSISDBHSA-N 1 1 379.485 4.151 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCc3cc(N)ccc32)cc1 ZINC000572424882 823336799 /nfs/dbraw/zinc/33/67/99/823336799.db2.gz WJZDCFQTMMIMDG-UZUQRXQVSA-N 1 1 392.547 4.130 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Sc3ncccn3)cc2C)C1 ZINC000176950125 823332429 /nfs/dbraw/zinc/33/24/29/823332429.db2.gz UDRFGYPYCGZSQA-KRWDZBQOSA-N 1 1 399.564 4.132 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000016554494 818454411 /nfs/dbraw/zinc/45/44/11/818454411.db2.gz RMCXMXVQZYYTPE-LJQANCHMSA-N 1 1 388.511 4.421 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000016554494 818454415 /nfs/dbraw/zinc/45/44/15/818454415.db2.gz RMCXMXVQZYYTPE-LJQANCHMSA-N 1 1 388.511 4.421 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000016556657 818454793 /nfs/dbraw/zinc/45/47/93/818454793.db2.gz FDOSPSNNHKMQOY-UHFFFAOYSA-N 1 1 381.520 4.403 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(F)c(Cl)nc1Cl ZINC000057825603 823338140 /nfs/dbraw/zinc/33/81/40/823338140.db2.gz SFWPUWWLSDETFJ-CYBMUJFWSA-N 1 1 386.254 4.078 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC(F)F)cc1 ZINC000016587417 818456230 /nfs/dbraw/zinc/45/62/30/818456230.db2.gz IUFICNUBVHERDY-UHFFFAOYSA-N 1 1 388.336 4.377 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC(F)F)cc1 ZINC000016587417 818456236 /nfs/dbraw/zinc/45/62/36/818456236.db2.gz IUFICNUBVHERDY-UHFFFAOYSA-N 1 1 388.336 4.377 20 0 GIADMO c1ccc(-c2nc(N3CC[NH+](Cc4ccccn4)CC3)nc3ccccc32)cc1 ZINC000016738551 818472592 /nfs/dbraw/zinc/47/25/92/818472592.db2.gz XTDLHHWEGAJUBS-UHFFFAOYSA-N 1 1 381.483 4.014 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176978369 823340820 /nfs/dbraw/zinc/34/08/20/823340820.db2.gz MOWJYVZZTHTANV-OAQYLSRUSA-N 1 1 391.519 4.390 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(F)cc2OC(F)F)[C@H](C)C1 ZINC000122340304 823340975 /nfs/dbraw/zinc/34/09/75/823340975.db2.gz ULNHVYNCMLUYQS-VKJFTORMSA-N 1 1 388.474 4.215 20 0 GIADMO COc1ccc(-c2nc(C[N@H+](C)CCOc3ccccc3)cs2)cc1OC ZINC000057849264 823341235 /nfs/dbraw/zinc/34/12/35/823341235.db2.gz DFAVQUUTCWNISR-UHFFFAOYSA-N 1 1 384.501 4.338 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+](C)CCOc3ccccc3)cs2)cc1OC ZINC000057849264 823341240 /nfs/dbraw/zinc/34/12/40/823341240.db2.gz DFAVQUUTCWNISR-UHFFFAOYSA-N 1 1 384.501 4.338 20 0 GIADMO COc1cc2c(cc1C[NH2+]Cc1c(C)nn(-c3ccccc3)c1C)O[C@H](C)C2 ZINC000017318901 818509382 /nfs/dbraw/zinc/50/93/82/818509382.db2.gz DMJLZRJRFZZQFF-OAHLLOKOSA-N 1 1 377.488 4.111 20 0 GIADMO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000177012769 823349213 /nfs/dbraw/zinc/34/92/13/823349213.db2.gz SMRQQZHRCFFZLG-FQEVSTJZSA-N 1 1 387.911 4.218 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000176998982 823346426 /nfs/dbraw/zinc/34/64/26/823346426.db2.gz NLBAERYHUHQATR-NRFANRHFSA-N 1 1 389.474 4.384 20 0 GIADMO CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057903232 823346595 /nfs/dbraw/zinc/34/65/95/823346595.db2.gz RFETUBICJBXULC-MRXNPFEDSA-N 1 1 393.350 4.306 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000018708326 818575856 /nfs/dbraw/zinc/57/58/56/818575856.db2.gz IUNNIWZYGZFPLH-LBPRGKRZSA-N 1 1 380.822 4.327 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000018708326 818575863 /nfs/dbraw/zinc/57/58/63/818575863.db2.gz IUNNIWZYGZFPLH-LBPRGKRZSA-N 1 1 380.822 4.327 20 0 GIADMO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000572479833 823347325 /nfs/dbraw/zinc/34/73/25/823347325.db2.gz MHYCOTMVIAOGFQ-FXAWDEMLSA-N 1 1 399.560 4.200 20 0 GIADMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000572479833 823347331 /nfs/dbraw/zinc/34/73/31/823347331.db2.gz MHYCOTMVIAOGFQ-FXAWDEMLSA-N 1 1 399.560 4.200 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000189046793 823347929 /nfs/dbraw/zinc/34/79/29/823347929.db2.gz QPICRBQQWLDXLJ-LJQANCHMSA-N 1 1 399.501 4.486 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1cccc(F)c1 ZINC000019540929 818594587 /nfs/dbraw/zinc/59/45/87/818594587.db2.gz NOSRBYLDCUWLFJ-UHFFFAOYSA-N 1 1 379.273 4.357 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1cccc(F)c1 ZINC000019540929 818594595 /nfs/dbraw/zinc/59/45/95/818594595.db2.gz NOSRBYLDCUWLFJ-UHFFFAOYSA-N 1 1 379.273 4.357 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000572509637 823351772 /nfs/dbraw/zinc/35/17/72/823351772.db2.gz SELHGKDEPRNWPN-HSZRJFAPSA-N 1 1 380.488 4.045 20 0 GIADMO COc1ccc(CN(C(=O)C[N@H+](C)Cc2ccc3ccccc3c2)C2CC2)cc1 ZINC000020950071 818642338 /nfs/dbraw/zinc/64/23/38/818642338.db2.gz UEVPAXMVSZRUCW-UHFFFAOYSA-N 1 1 388.511 4.471 20 0 GIADMO COc1ccc(CN(C(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)C2CC2)cc1 ZINC000020950071 818642345 /nfs/dbraw/zinc/64/23/45/818642345.db2.gz UEVPAXMVSZRUCW-UHFFFAOYSA-N 1 1 388.511 4.471 20 0 GIADMO CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000460332402 823356347 /nfs/dbraw/zinc/35/63/47/823356347.db2.gz ZBFFHLSULAJRAJ-ROKPMTFOSA-N 1 1 394.559 4.389 20 0 GIADMO CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000460332402 823356357 /nfs/dbraw/zinc/35/63/57/823356357.db2.gz ZBFFHLSULAJRAJ-ROKPMTFOSA-N 1 1 394.559 4.389 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)[NH+](C)C ZINC000021557027 818704079 /nfs/dbraw/zinc/70/40/79/818704079.db2.gz YPCIVRXZOJFCTE-QFIPXVFZSA-N 1 1 389.499 4.154 20 0 GIADMO Fc1ccc(Cn2cc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)cn2)cc1 ZINC000189102828 823357885 /nfs/dbraw/zinc/35/78/85/823357885.db2.gz WLBJBYMXTWELBK-LJQANCHMSA-N 1 1 398.551 4.134 20 0 GIADMO Fc1ccc(Cn2cc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cn2)cc1 ZINC000189102828 823357893 /nfs/dbraw/zinc/35/78/93/823357893.db2.gz WLBJBYMXTWELBK-LJQANCHMSA-N 1 1 398.551 4.134 20 0 GIADMO CC(C)(CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccs1 ZINC000460340086 823358352 /nfs/dbraw/zinc/35/83/52/823358352.db2.gz GQSANJZRMMWYRJ-UXHICEINSA-N 1 1 397.588 4.189 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)c2nnnn2C2CC2)CCC3)cc1 ZINC000189113499 823359322 /nfs/dbraw/zinc/35/93/22/823359322.db2.gz WYMQKKRHVPKAEY-BBRMVZONSA-N 1 1 380.521 4.168 20 0 GIADMO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)cc1 ZINC000122475817 823359806 /nfs/dbraw/zinc/35/98/06/823359806.db2.gz BRVXFHFPDBZGEZ-UONOGXRCSA-N 1 1 380.485 4.008 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000058073781 823360119 /nfs/dbraw/zinc/36/01/19/823360119.db2.gz DTYSCHDUEAGHJR-UHFFFAOYSA-N 1 1 390.487 4.275 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000572557430 823360538 /nfs/dbraw/zinc/36/05/38/823360538.db2.gz XALGBWFBGCECLQ-HZPDHXFCSA-N 1 1 375.463 4.188 20 0 GIADMO CC[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412055784 823624602 /nfs/dbraw/zinc/62/46/02/823624602.db2.gz MNJMMCCAHYRGSW-ZWKOTPCHSA-N 1 1 379.342 4.377 20 0 GIADMO CN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572571171 823363481 /nfs/dbraw/zinc/36/34/81/823363481.db2.gz VUJZZBCXTAQCNJ-NRFANRHFSA-N 1 1 383.511 4.269 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000177068535 823364005 /nfs/dbraw/zinc/36/40/05/823364005.db2.gz OGGKEVRUGAAGLU-CYBMUJFWSA-N 1 1 377.460 4.092 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000177069904 823364282 /nfs/dbraw/zinc/36/42/82/823364282.db2.gz IMEHZBFODWUJNZ-OAQYLSRUSA-N 1 1 391.519 4.092 20 0 GIADMO C[C@H]1C[C@H](NC(=O)C(C)(C)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000409993130 823365248 /nfs/dbraw/zinc/36/52/48/823365248.db2.gz NHRXFHFOKASNPI-NZQKXSOJSA-N 1 1 394.559 4.399 20 0 GIADMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1)N[C@@H]1CCOc2ccccc21 ZINC000122514361 823365366 /nfs/dbraw/zinc/36/53/66/823365366.db2.gz FKWFVPYKFGXDLF-QPPBQGQZSA-N 1 1 390.458 4.145 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000177077871 823365649 /nfs/dbraw/zinc/36/56/49/823365649.db2.gz AEOKPTKWMROYNJ-QGZVFWFLSA-N 1 1 386.471 4.349 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000177081885 823366515 /nfs/dbraw/zinc/36/65/15/823366515.db2.gz QNVOEGOXBLHPSU-GOSISDBHSA-N 1 1 393.915 4.180 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000177081885 823366521 /nfs/dbraw/zinc/36/65/21/823366521.db2.gz QNVOEGOXBLHPSU-GOSISDBHSA-N 1 1 393.915 4.180 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000572591854 823366649 /nfs/dbraw/zinc/36/66/49/823366649.db2.gz PBTPUJBTYBGNJI-SQGPQFPESA-N 1 1 377.488 4.273 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000572591854 823366656 /nfs/dbraw/zinc/36/66/56/823366656.db2.gz PBTPUJBTYBGNJI-SQGPQFPESA-N 1 1 377.488 4.273 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CSCc1ccc(F)cc1)c1ccccc1Cl ZINC000022619764 818834773 /nfs/dbraw/zinc/83/47/73/818834773.db2.gz ZKAAELLXNRMJNL-GOSISDBHSA-N 1 1 380.916 4.131 20 0 GIADMO CC(C)c1noc2ncc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc21 ZINC000022620008 818834829 /nfs/dbraw/zinc/83/48/29/818834829.db2.gz NSTOVUHGGYAJBR-KRWDZBQOSA-N 1 1 386.883 4.032 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000122533368 823368207 /nfs/dbraw/zinc/36/82/07/823368207.db2.gz YBMFCZZEQSOXQG-CQSZACIVSA-N 1 1 393.915 4.099 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)c(C)c1 ZINC000022807914 818862867 /nfs/dbraw/zinc/86/28/67/818862867.db2.gz JNLBFFZWGKGOTB-NRFANRHFSA-N 1 1 379.548 4.147 20 0 GIADMO Oc1cccc(C[N@H+](Cc2ccc(-c3ccccn3)nc2)[C@H]2CC[C@H](O)CC2)c1 ZINC000572613708 823369415 /nfs/dbraw/zinc/36/94/15/823369415.db2.gz LBEUSFNHNFNQDY-MEMLXQNLSA-N 1 1 389.499 4.155 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c2C2CC2)cc1Cl ZINC000177094194 823369880 /nfs/dbraw/zinc/36/98/80/823369880.db2.gz UFALWKPOECLBJF-GOEBONIOSA-N 1 1 398.938 4.067 20 0 GIADMO CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1ccc(OC)c(OC)c1 ZINC000022972206 818881613 /nfs/dbraw/zinc/88/16/13/818881613.db2.gz BWNUVTUONBIXJE-HSZRJFAPSA-N 1 1 384.520 4.039 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1ccc(OC)c(OC)c1 ZINC000022972206 818881620 /nfs/dbraw/zinc/88/16/20/818881620.db2.gz BWNUVTUONBIXJE-HSZRJFAPSA-N 1 1 384.520 4.039 20 0 GIADMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1Br)C[C@@H]1CCCCO1 ZINC000572623653 823370723 /nfs/dbraw/zinc/37/07/23/823370723.db2.gz RKQMDMWFYMNGFF-HNNXBMFYSA-N 1 1 386.330 4.247 20 0 GIADMO CCC[N@H+](Cc1ccc(OC)c(OC)c1Br)C[C@@H]1CCCCO1 ZINC000572623653 823370727 /nfs/dbraw/zinc/37/07/27/823370727.db2.gz RKQMDMWFYMNGFF-HNNXBMFYSA-N 1 1 386.330 4.247 20 0 GIADMO Clc1ccc(C[N@@H+]2CCCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000023009211 818887659 /nfs/dbraw/zinc/88/76/59/818887659.db2.gz VZMIPTXSGZDOAX-UHFFFAOYSA-N 1 1 382.895 4.098 20 0 GIADMO Clc1ccc(C[N@H+]2CCCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000023009211 818887666 /nfs/dbraw/zinc/88/76/66/818887666.db2.gz VZMIPTXSGZDOAX-UHFFFAOYSA-N 1 1 382.895 4.098 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000023039725 818890146 /nfs/dbraw/zinc/89/01/46/818890146.db2.gz VQFBHGFYLXAIFO-MRXNPFEDSA-N 1 1 376.460 4.148 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1cc(C(C)C)nc2ccccc21)[NH+](C)C ZINC000023178378 818905799 /nfs/dbraw/zinc/90/57/99/818905799.db2.gz SCAQRPZQGHBAME-JOCHJYFZSA-N 1 1 391.515 4.400 20 0 GIADMO COc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)n2)cc1F ZINC000572642415 823373858 /nfs/dbraw/zinc/37/38/58/823373858.db2.gz DMBHYFDBPHVFNJ-INIZCTEOSA-N 1 1 377.485 4.159 20 0 GIADMO COc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[N@H+]3C(C)C)n2)cc1F ZINC000572642415 823373865 /nfs/dbraw/zinc/37/38/65/823373865.db2.gz DMBHYFDBPHVFNJ-INIZCTEOSA-N 1 1 377.485 4.159 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000023295160 818922034 /nfs/dbraw/zinc/92/20/34/818922034.db2.gz VWHQQJLZRHACGS-UHFFFAOYSA-N 1 1 382.895 4.016 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000177116183 823374988 /nfs/dbraw/zinc/37/49/88/823374988.db2.gz RQVAMPUNCAXPBH-GOSISDBHSA-N 1 1 394.519 4.019 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000177116183 823374994 /nfs/dbraw/zinc/37/49/94/823374994.db2.gz RQVAMPUNCAXPBH-GOSISDBHSA-N 1 1 394.519 4.019 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1OC ZINC000189204304 823375104 /nfs/dbraw/zinc/37/51/04/823375104.db2.gz HFOBREUHWIPTLQ-AWEZNQCLSA-N 1 1 387.430 4.078 20 0 GIADMO C[N@H+]1CCCN([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000023469395 818944373 /nfs/dbraw/zinc/94/43/73/818944373.db2.gz NCUVWQYXARPRSL-LJQANCHMSA-N 1 1 392.330 4.311 20 0 GIADMO Cc1ccc(C(=O)c2ccccc2C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000058296223 823375806 /nfs/dbraw/zinc/37/58/06/823375806.db2.gz MLWBPNUPWIXBQN-HXUWFJFHSA-N 1 1 392.543 4.468 20 0 GIADMO Cc1ccc(Sc2ncccc2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1 ZINC000058299153 823376068 /nfs/dbraw/zinc/37/60/68/823376068.db2.gz KZOXTRFWLMBPPY-RTBURBONSA-N 1 1 381.545 4.206 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000058298856 823376095 /nfs/dbraw/zinc/37/60/95/823376095.db2.gz NEGLIRYCKLDVFL-VXKWHMMOSA-N 1 1 390.483 4.368 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000058299190 823376136 /nfs/dbraw/zinc/37/61/36/823376136.db2.gz IQEOVMUPRNUUQB-GJZGRUSLSA-N 1 1 398.557 4.458 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(Nc3ccc(N(C)C)nc3)c2c1C ZINC000023618971 818965696 /nfs/dbraw/zinc/96/56/96/818965696.db2.gz WGKQTPJUHYMLFH-UHFFFAOYSA-N 1 1 382.537 4.109 20 0 GIADMO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460399392 823376720 /nfs/dbraw/zinc/37/67/20/823376720.db2.gz IUPKTVAOSATAHF-TZYAJKAJSA-N 1 1 391.559 4.342 20 0 GIADMO CC(C)[N@@H+]1CCc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000023802665 818985050 /nfs/dbraw/zinc/98/50/50/818985050.db2.gz UNWRQGZDIKKLLF-UHFFFAOYSA-N 1 1 391.540 4.102 20 0 GIADMO CC(C)[N@H+]1CCc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000023802665 818985055 /nfs/dbraw/zinc/98/50/55/818985055.db2.gz UNWRQGZDIKKLLF-UHFFFAOYSA-N 1 1 391.540 4.102 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)[C@H](C)Sc1ccc(Cl)cc1)[NH+](C)C ZINC000023979309 819001701 /nfs/dbraw/zinc/00/17/01/819001701.db2.gz DRIMXCINTZLMGY-KBXCAEBGSA-N 1 1 392.952 4.248 20 0 GIADMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000023991777 819003535 /nfs/dbraw/zinc/00/35/35/819003535.db2.gz VELBDULUTJGKFO-MRXNPFEDSA-N 1 1 383.492 4.006 20 0 GIADMO Clc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1Br ZINC000189237825 823380175 /nfs/dbraw/zinc/38/01/75/823380175.db2.gz WVQVATIWOYPMRP-ZDUSSCGKSA-N 1 1 395.732 4.020 20 0 GIADMO Clc1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1Br ZINC000189237825 823380182 /nfs/dbraw/zinc/38/01/82/823380182.db2.gz WVQVATIWOYPMRP-ZDUSSCGKSA-N 1 1 395.732 4.020 20 0 GIADMO CCCN(C(=O)[C@@H](C)c1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000122628961 823384405 /nfs/dbraw/zinc/38/44/05/823384405.db2.gz VLGSDBLWRLUSSU-IBGZPJMESA-N 1 1 394.563 4.413 20 0 GIADMO Clc1cccc(-c2nnc(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)o2)c1 ZINC000177141504 823380918 /nfs/dbraw/zinc/38/09/18/823380918.db2.gz PUSXYQMEHMZKAP-IBGZPJMESA-N 1 1 383.879 4.224 20 0 GIADMO Clc1cccc(-c2nnc(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)o2)c1 ZINC000177141504 823380923 /nfs/dbraw/zinc/38/09/23/823380923.db2.gz PUSXYQMEHMZKAP-IBGZPJMESA-N 1 1 383.879 4.224 20 0 GIADMO C[N@@H+](CCO)Cc1cc(NCc2nc3ccc(F)cc3s2)ccc1Cl ZINC000572677683 823380945 /nfs/dbraw/zinc/38/09/45/823380945.db2.gz UQDHEPOUAWPYFL-UHFFFAOYSA-N 1 1 379.888 4.125 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(C3CCC3)n2CCc2ccccc2)C[C@@H]1C ZINC000460414462 823381343 /nfs/dbraw/zinc/38/13/43/823381343.db2.gz AWVCZWHTILKARG-RXVVDRJESA-N 1 1 381.568 4.097 20 0 GIADMO Cc1cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000572683554 823382368 /nfs/dbraw/zinc/38/23/68/823382368.db2.gz JHICDGKPWDGOBR-OAQYLSRUSA-N 1 1 394.906 4.292 20 0 GIADMO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000122619973 823382760 /nfs/dbraw/zinc/38/27/60/823382760.db2.gz PRYQXJFOCOJBAS-QGZVFWFLSA-N 1 1 375.472 4.297 20 0 GIADMO Clc1ccc(-c2nnc(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)o2)cc1 ZINC000177149200 823383192 /nfs/dbraw/zinc/38/31/92/823383192.db2.gz QRNBMWFYKDEJPW-IBGZPJMESA-N 1 1 383.879 4.224 20 0 GIADMO Clc1ccc(-c2nnc(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)o2)cc1 ZINC000177149200 823383197 /nfs/dbraw/zinc/38/31/97/823383197.db2.gz QRNBMWFYKDEJPW-IBGZPJMESA-N 1 1 383.879 4.224 20 0 GIADMO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000572689786 823383478 /nfs/dbraw/zinc/38/34/78/823383478.db2.gz MCKYEUXHPIHJOR-XZOQPEGZSA-N 1 1 399.542 4.114 20 0 GIADMO CCCn1ncc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000572696702 823385088 /nfs/dbraw/zinc/38/50/88/823385088.db2.gz AVRLJIUPMIRMSK-ZWKOTPCHSA-N 1 1 395.551 4.297 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCC2CCC(F)(F)CC2)[C@@H]1c1cccs1 ZINC000410089105 823387527 /nfs/dbraw/zinc/38/75/27/823387527.db2.gz RJCRQLXYZPTEDF-DOTOQJQBSA-N 1 1 385.524 4.256 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCC2CCC(F)(F)CC2)[C@H]1c1cccs1 ZINC000410089109 823387648 /nfs/dbraw/zinc/38/76/48/823387648.db2.gz RJCRQLXYZPTEDF-RDJZCZTQSA-N 1 1 385.524 4.256 20 0 GIADMO Cc1cc(NC(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cn2cc[nH+]c12 ZINC000572718240 823388288 /nfs/dbraw/zinc/38/82/88/823388288.db2.gz IOOYBXPQNQTZFD-INIZCTEOSA-N 1 1 383.427 4.017 20 0 GIADMO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000177168195 823389465 /nfs/dbraw/zinc/38/94/65/823389465.db2.gz VBQVHXDXNYVYSO-UHFFFAOYSA-N 1 1 398.359 4.467 20 0 GIADMO Cc1nn(C)cc1C[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000122669787 823391105 /nfs/dbraw/zinc/39/11/05/823391105.db2.gz SFGKHPUJOIIOIA-NRFANRHFSA-N 1 1 394.519 4.237 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)cs2)cc1OC ZINC000189323916 823394329 /nfs/dbraw/zinc/39/43/29/823394329.db2.gz KSLCSJIROZGKKT-AUUYWEPGSA-N 1 1 376.522 4.074 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](OC)C3)cs2)cc1OC ZINC000189323916 823394337 /nfs/dbraw/zinc/39/43/37/823394337.db2.gz KSLCSJIROZGKKT-AUUYWEPGSA-N 1 1 376.522 4.074 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1CCC(F)(F)CC1 ZINC000410111491 823394840 /nfs/dbraw/zinc/39/48/40/823394840.db2.gz ZMILKGBZKXILEL-HXUWFJFHSA-N 1 1 393.522 4.366 20 0 GIADMO Cn1c(C[N@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc21 ZINC000177205604 823398993 /nfs/dbraw/zinc/39/89/93/823398993.db2.gz BUFQVOGZRLTNIA-UHFFFAOYSA-N 1 1 391.302 4.341 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC[N@H+]1C ZINC000122702051 823397201 /nfs/dbraw/zinc/39/72/01/823397201.db2.gz IRVINXUKAAZZKQ-DOMZBBRYSA-N 1 1 397.466 4.384 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000189348536 823398853 /nfs/dbraw/zinc/39/88/53/823398853.db2.gz DGLFFANMVNQTAV-HNNXBMFYSA-N 1 1 378.925 4.073 20 0 GIADMO Cn1c(C[N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc21 ZINC000177205604 823399000 /nfs/dbraw/zinc/39/90/00/823399000.db2.gz BUFQVOGZRLTNIA-UHFFFAOYSA-N 1 1 391.302 4.341 20 0 GIADMO C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000410136261 823399129 /nfs/dbraw/zinc/39/91/29/823399129.db2.gz UZXWOFXFYZOSCD-HNAYVOBHSA-N 1 1 391.437 4.465 20 0 GIADMO C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000410136261 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CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)Oc2cccc(OC)c2)cc1)C(C)C ZINC000460507665 823411781 /nfs/dbraw/zinc/41/17/81/823411781.db2.gz BXEFARWJQARWEN-SFHVURJKSA-N 1 1 384.520 4.123 20 0 GIADMO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058581244 823412558 /nfs/dbraw/zinc/41/25/58/823412558.db2.gz QLDSFSJFZDKTHS-SFHVURJKSA-N 1 1 378.925 4.076 20 0 GIADMO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000058581244 823412561 /nfs/dbraw/zinc/41/25/61/823412561.db2.gz QLDSFSJFZDKTHS-SFHVURJKSA-N 1 1 378.925 4.076 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000410195747 823416307 /nfs/dbraw/zinc/41/63/07/823416307.db2.gz MFRPBQGFJYWPBG-SFHVURJKSA-N 1 1 383.536 4.160 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000177270576 823416487 /nfs/dbraw/zinc/41/64/87/823416487.db2.gz QZAFFSONMLGEJT-MSYCTHLASA-N 1 1 382.548 4.197 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000410200680 823417806 /nfs/dbraw/zinc/41/78/06/823417806.db2.gz VBBKYHHGOMMMER-OKILXGFUSA-N 1 1 389.437 4.012 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3C)cc2)cc1 ZINC000122821964 823418338 /nfs/dbraw/zinc/41/83/38/823418338.db2.gz FMAPZVFOADWPCB-UHFFFAOYSA-N 1 1 392.503 4.099 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177289447 823422367 /nfs/dbraw/zinc/42/23/67/823422367.db2.gz ABMAGQCCIPTAIR-INIZCTEOSA-N 1 1 397.544 4.301 20 0 GIADMO Clc1cnn([C@@H]2CC[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)c1 ZINC000572938110 823423864 /nfs/dbraw/zinc/42/38/64/823423864.db2.gz VJOGJXHZVHSWHG-LJQANCHMSA-N 1 1 396.926 4.357 20 0 GIADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177284951 823421055 /nfs/dbraw/zinc/42/10/55/823421055.db2.gz NARGBNYKFNISFB-ZHRRBRCNSA-N 1 1 398.503 4.174 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(C)(C)Cc3ccc(C(F)(F)F)cc3)CC[C@H]21 ZINC000189487237 823428112 /nfs/dbraw/zinc/42/81/12/823428112.db2.gz ONZUCUFTMYCKKF-FUHWJXTLSA-N 1 1 382.470 4.217 20 0 GIADMO COCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000189486976 823428129 /nfs/dbraw/zinc/42/81/29/823428129.db2.gz FVYSXZUEEQSYEH-UGKGYDQZSA-N 1 1 395.547 4.392 20 0 GIADMO CC(=O)N(c1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1)[C@H]1C[C@@H]1C ZINC000572982188 823429758 /nfs/dbraw/zinc/42/97/58/823429758.db2.gz OAEJOEZSMVLJLC-WVFSVQOHSA-N 1 1 399.922 4.343 20 0 GIADMO c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000572985899 823430328 /nfs/dbraw/zinc/43/03/28/823430328.db2.gz UYTJBJNAUKFQFF-QGZVFWFLSA-N 1 1 397.544 4.243 20 0 GIADMO c1cc(-c2nc3ccccc3s2)oc1CN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000572985899 823430334 /nfs/dbraw/zinc/43/03/34/823430334.db2.gz UYTJBJNAUKFQFF-QGZVFWFLSA-N 1 1 397.544 4.243 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177315030 823430499 /nfs/dbraw/zinc/43/04/99/823430499.db2.gz VJURBQVYCRIJFO-KGLIPLIRSA-N 1 1 395.594 4.103 20 0 GIADMO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000460554658 823430545 /nfs/dbraw/zinc/43/05/45/823430545.db2.gz ZSUJQDYBHDADMF-GUDVDZBRSA-N 1 1 393.959 4.074 20 0 GIADMO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000460554658 823430547 /nfs/dbraw/zinc/43/05/47/823430547.db2.gz ZSUJQDYBHDADMF-GUDVDZBRSA-N 1 1 393.959 4.074 20 0 GIADMO COc1ccccc1[C@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000122899891 823431249 /nfs/dbraw/zinc/43/12/49/823431249.db2.gz OOUGENDXXBJYQU-FDDCHVKYSA-N 1 1 395.524 4.237 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cccc(OCCF)c1 ZINC000122913629 823433313 /nfs/dbraw/zinc/43/33/13/823433313.db2.gz JPBIGCXCIGXYRV-INIZCTEOSA-N 1 1 391.512 4.130 20 0 GIADMO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024667653 819862738 /nfs/dbraw/zinc/86/27/38/819862738.db2.gz SDPYIEMPAHWUFO-IEBWSBKVSA-N 1 1 377.488 4.021 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(N3CCC3=O)cc2)c1 ZINC000410249797 823433933 /nfs/dbraw/zinc/43/39/33/823433933.db2.gz PRLWCTNIXQBRAH-UHFFFAOYSA-N 1 1 399.494 4.308 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CCC(=O)Nc2ccccc2SC)cc1OC ZINC000024804565 819879077 /nfs/dbraw/zinc/87/90/77/819879077.db2.gz DYQLURZBDABFFR-UHFFFAOYSA-N 1 1 388.533 4.195 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000189518411 823435715 /nfs/dbraw/zinc/43/57/15/823435715.db2.gz CGQPALCZVHDRJR-ZDUSSCGKSA-N 1 1 378.929 4.269 20 0 GIADMO CC(C)[C@H](C)NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025035140 819912620 /nfs/dbraw/zinc/91/26/20/819912620.db2.gz GVIQBGDEPQOLRE-ZDUSSCGKSA-N 1 1 379.957 4.290 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2)C[C@@H](C)O1 ZINC000025042975 819914506 /nfs/dbraw/zinc/91/45/06/819914506.db2.gz FAOYGCAUNPWTEP-HUUCEWRRSA-N 1 1 390.430 4.150 20 0 GIADMO CN(C(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000025055173 819916390 /nfs/dbraw/zinc/91/63/90/819916390.db2.gz IFGYKTLOEVIBPP-HSZRJFAPSA-N 1 1 390.527 4.117 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[N@H+]1C ZINC000189527733 823437819 /nfs/dbraw/zinc/43/78/19/823437819.db2.gz IAGCXUZIYIETFM-QWHCGFSZSA-N 1 1 378.929 4.410 20 0 GIADMO C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000573037454 823437917 /nfs/dbraw/zinc/43/79/17/823437917.db2.gz VNBHJZNTVGDCQE-PMRDEQMMSA-N 1 1 386.923 4.344 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1C ZINC000189527791 823437975 /nfs/dbraw/zinc/43/79/75/823437975.db2.gz SIGGNAYTKQKXSL-IFMALSPDSA-N 1 1 394.519 4.301 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2)C[C@@H](C)O1 ZINC000025091141 819925792 /nfs/dbraw/zinc/92/57/92/819925792.db2.gz JODPOITWYYHGJA-HUUCEWRRSA-N 1 1 390.430 4.150 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2)C[C@H](C)O1 ZINC000025094134 819927021 /nfs/dbraw/zinc/92/70/21/819927021.db2.gz RXCPBXJWTQTCNN-OALUTQOASA-N 1 1 378.516 4.101 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2)C[C@@H](C)O1 ZINC000025094125 819927264 /nfs/dbraw/zinc/92/72/64/819927264.db2.gz RXCPBXJWTQTCNN-RTBURBONSA-N 1 1 378.516 4.101 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3N3CCCC3)cc2)C[C@H](C)O1 ZINC000025096817 819927976 /nfs/dbraw/zinc/92/79/76/819927976.db2.gz MPNDBWQQSMPIAB-KDURUIRLSA-N 1 1 393.531 4.148 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3N3CCCC3)cc2)C[C@H](C)O1 ZINC000025096817 819927985 /nfs/dbraw/zinc/92/79/85/819927985.db2.gz MPNDBWQQSMPIAB-KDURUIRLSA-N 1 1 393.531 4.148 20 0 GIADMO O=C(C[N@H+](Cc1ccccc1)C1CC1)Nc1ccc(Br)cc1F ZINC000025119163 819932238 /nfs/dbraw/zinc/93/22/38/819932238.db2.gz RZTMVCNOQRMWTM-UHFFFAOYSA-N 1 1 377.257 4.191 20 0 GIADMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)Nc1ccc(Br)cc1F ZINC000025119163 819932244 /nfs/dbraw/zinc/93/22/44/819932244.db2.gz RZTMVCNOQRMWTM-UHFFFAOYSA-N 1 1 377.257 4.191 20 0 GIADMO Cc1cc([C@H](C)NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C)s1 ZINC000025124288 819932956 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4.113 20 0 GIADMO CN1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205844 823465230 /nfs/dbraw/zinc/46/52/30/823465230.db2.gz DYCUZKCIPVHTJR-SGNDLWITSA-N 1 1 375.560 4.219 20 0 GIADMO CN1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205842 823465322 /nfs/dbraw/zinc/46/53/22/823465322.db2.gz DYCUZKCIPVHTJR-HJOGWXRNSA-N 1 1 375.560 4.219 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569189 820260016 /nfs/dbraw/zinc/26/00/16/820260016.db2.gz MZTFSRKIGOVBIP-GOSISDBHSA-N 1 1 379.504 4.099 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027569189 820260021 /nfs/dbraw/zinc/26/00/21/820260021.db2.gz MZTFSRKIGOVBIP-GOSISDBHSA-N 1 1 379.504 4.099 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CCCc3c(cnn3C)C2)on1 ZINC000573214021 823466346 /nfs/dbraw/zinc/46/63/46/823466346.db2.gz OBTQIFJYCGUQBK-UHFFFAOYSA-N 1 1 388.471 4.185 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCCc3c(cnn3C)C2)on1 ZINC000573214021 823466348 /nfs/dbraw/zinc/46/63/48/823466348.db2.gz OBTQIFJYCGUQBK-UHFFFAOYSA-N 1 1 388.471 4.185 20 0 GIADMO C[C@H](NC(=O)N[C@H]1CCc2sc(Cl)cc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460650285 823466917 /nfs/dbraw/zinc/46/69/17/823466917.db2.gz CFNQPYPKTVBRMI-XEZPLFJOSA-N 1 1 381.973 4.341 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000058898799 823467939 /nfs/dbraw/zinc/46/79/39/823467939.db2.gz FEMLDWUZBPSMJI-OAHLLOKOSA-N 1 1 387.351 4.391 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(Br)cc1Cl ZINC000058898603 823467952 /nfs/dbraw/zinc/46/79/52/823467952.db2.gz DGCYOQHYTFFPDB-ZDUSSCGKSA-N 1 1 387.749 4.487 20 0 GIADMO C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410345253 823468849 /nfs/dbraw/zinc/46/88/49/823468849.db2.gz OYAIOZXAHUXCCC-OALUTQOASA-N 1 1 383.536 4.475 20 0 GIADMO C[C@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460658956 823469173 /nfs/dbraw/zinc/46/91/73/823469173.db2.gz 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Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000123152719 823470690 /nfs/dbraw/zinc/47/06/90/823470690.db2.gz JAJZOVGPXYLSDE-IERDGZPVSA-N 1 1 375.476 4.183 20 0 GIADMO COCc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410353286 823471013 /nfs/dbraw/zinc/47/10/13/823471013.db2.gz MKPWGAPYLYFJKY-IBGZPJMESA-N 1 1 395.547 4.064 20 0 GIADMO C[C@@H](Cc1cccs1)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410358983 823473460 /nfs/dbraw/zinc/47/34/60/823473460.db2.gz JNDPIITXNTZIFS-ROUUACIJSA-N 1 1 385.577 4.410 20 0 GIADMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1N1CCCC1=O ZINC000028928055 820374863 /nfs/dbraw/zinc/37/48/63/820374863.db2.gz DIKBTXNGYJTKSC-UHFFFAOYSA-N 1 1 399.494 4.131 20 0 GIADMO COc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(OC)c1 ZINC000410363235 823474796 /nfs/dbraw/zinc/47/47/96/823474796.db2.gz ZYTWUHYGQGISIC-QGZVFWFLSA-N 1 1 397.519 4.257 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000058952571 823474933 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GIADMO NC(=O)c1ccc(-c2nc(C[NH+]3CCC(OCC4CCCC4)CC3)cs2)cc1 ZINC000177502324 823477924 /nfs/dbraw/zinc/47/79/24/823477924.db2.gz ZMUYHIYGKAUNFQ-UHFFFAOYSA-N 1 1 399.560 4.080 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCc4ccccc4C3)cc2)C1 ZINC000410370926 823478395 /nfs/dbraw/zinc/47/83/95/823478395.db2.gz DWBZSNSXLNOWBC-LJQANCHMSA-N 1 1 377.532 4.186 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccccc1N(C)C ZINC000410386383 823483047 /nfs/dbraw/zinc/48/30/47/823483047.db2.gz UFZIETPTTAELSN-GOSISDBHSA-N 1 1 380.536 4.449 20 0 GIADMO CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)Nc1ccccc1 ZINC000410371591 823478627 /nfs/dbraw/zinc/47/86/27/823478627.db2.gz LHJMRNUNVBGNNY-QHCPKHFHSA-N 1 1 396.579 4.463 20 0 GIADMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000189727886 823483099 /nfs/dbraw/zinc/48/30/99/823483099.db2.gz KHTQFXUWFFFYEB-XMMPIXPASA-N 1 1 393.531 4.162 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000177509387 823479717 /nfs/dbraw/zinc/47/97/17/823479717.db2.gz KJMCEGRSHBKVKD-GFCCVEGCSA-N 1 1 375.847 4.137 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(Oc3ccccn3)c2)[C@@H]1c1ccccc1 ZINC000189708232 823480101 /nfs/dbraw/zinc/48/01/01/823480101.db2.gz JWZHDQZLUAONIE-UNMCSNQZSA-N 1 1 388.471 4.441 20 0 GIADMO CC(C)c1ccc(-c2nc(C(=O)N=c3[nH]c4c(s3)C[N@H+](C)CC4)cs2)cc1 ZINC000029519377 820467807 /nfs/dbraw/zinc/46/78/07/820467807.db2.gz HJDDPKXXGKEZSF-UHFFFAOYSA-N 1 1 398.557 4.052 20 0 GIADMO CC(C)c1ccc(-c2nc(C(=O)N=c3[nH]c4c(s3)C[N@@H+](C)CC4)cs2)cc1 ZINC000029519377 820467813 /nfs/dbraw/zinc/46/78/13/820467813.db2.gz HJDDPKXXGKEZSF-UHFFFAOYSA-N 1 1 398.557 4.052 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(F)c(F)c2)cc1 ZINC000123227528 823481672 /nfs/dbraw/zinc/48/16/72/823481672.db2.gz DRXDWNMWMOVQLQ-CQSZACIVSA-N 1 1 384.430 4.362 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(OCCF)c2)CC[N@H+]1Cc1ccccc1 ZINC000123227513 823481709 /nfs/dbraw/zinc/48/17/09/823481709.db2.gz QLRAJPFFGXXMKV-XLIONFOSSA-N 1 1 385.483 4.210 20 0 GIADMO C[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccc(C(C)(C)C)cc1 ZINC000029596505 820481349 /nfs/dbraw/zinc/48/13/49/820481349.db2.gz LYRIIHZPEOEICP-UHFFFAOYSA-N 1 1 396.560 4.361 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccc(C(C)(C)C)cc1 ZINC000029596505 820481356 /nfs/dbraw/zinc/48/13/56/820481356.db2.gz LYRIIHZPEOEICP-UHFFFAOYSA-N 1 1 396.560 4.361 20 0 GIADMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1CCCCCC1 ZINC000029599033 820481886 /nfs/dbraw/zinc/48/18/86/820481886.db2.gz WBCCVNPFEKIIFQ-FQEVSTJZSA-N 1 1 386.536 4.166 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(F)ccc2Br)[C@@H]1c1ccccc1 ZINC000189723438 823482452 /nfs/dbraw/zinc/48/24/52/823482452.db2.gz KZASHCVFJFHTHP-WBVHZDCISA-N 1 1 392.272 4.155 20 0 GIADMO COc1ccc(Cl)cc1CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029637960 820489600 /nfs/dbraw/zinc/48/96/00/820489600.db2.gz WLXVUKHYDMTDCG-UHFFFAOYSA-N 1 1 393.940 4.362 20 0 GIADMO O=C(COc1ccccc1Cl)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029635955 820489762 /nfs/dbraw/zinc/48/97/62/820489762.db2.gz RPQGYOQJISIMDX-UHFFFAOYSA-N 1 1 379.913 4.190 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COCc3ccco3)c2)C1 ZINC000177530557 823483543 /nfs/dbraw/zinc/48/35/43/823483543.db2.gz LKENDNCNIQOCCY-IBGZPJMESA-N 1 1 385.508 4.192 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1Cl ZINC000059037590 823484284 /nfs/dbraw/zinc/48/42/84/823484284.db2.gz XFBGVMHDWGJFTK-MRXNPFEDSA-N 1 1 383.826 4.366 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000123277841 823489495 /nfs/dbraw/zinc/48/94/95/823489495.db2.gz FQEMXBVDPORMMY-CVEARBPZSA-N 1 1 378.476 4.350 20 0 GIADMO COc1ccc2c(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cc(=O)oc2c1 ZINC000029825315 820525113 /nfs/dbraw/zinc/52/51/13/820525113.db2.gz RRNMCDRPLQOLCG-HNNXBMFYSA-N 1 1 390.439 4.322 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H](C)c3cccc(Cl)c3)cc2)CC1 ZINC000460707902 823489606 /nfs/dbraw/zinc/48/96/06/823489606.db2.gz HAQGRMXVZVTZOR-QGZVFWFLSA-N 1 1 385.939 4.220 20 0 GIADMO O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828725 820527387 /nfs/dbraw/zinc/52/73/87/820527387.db2.gz PEQWUTJPBDHLOO-WBVHZDCISA-N 1 1 386.879 4.101 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000029829919 820527404 /nfs/dbraw/zinc/52/74/04/820527404.db2.gz FZDMBOSTPKGYHS-AUSIDOKSSA-N 1 1 389.499 4.275 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000029829919 820527409 /nfs/dbraw/zinc/52/74/09/820527409.db2.gz FZDMBOSTPKGYHS-AUSIDOKSSA-N 1 1 389.499 4.275 20 0 GIADMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029840738 820530008 /nfs/dbraw/zinc/53/00/08/820530008.db2.gz XXFYMNXVEXUSFN-MRXNPFEDSA-N 1 1 388.964 4.385 20 0 GIADMO Cc1ccc(NC(=O)C[N@H+](C)CCCOc2ccccc2)c(Br)c1 ZINC000029851892 820532674 /nfs/dbraw/zinc/53/26/74/820532674.db2.gz UNPDKUDBSFBZJN-UHFFFAOYSA-N 1 1 391.309 4.097 20 0 GIADMO Cc1ccc(NC(=O)C[N@@H+](C)CCCOc2ccccc2)c(Br)c1 ZINC000029851892 820532676 /nfs/dbraw/zinc/53/26/76/820532676.db2.gz UNPDKUDBSFBZJN-UHFFFAOYSA-N 1 1 391.309 4.097 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C)[NH+](C)C ZINC000059264272 823488110 /nfs/dbraw/zinc/48/81/10/823488110.db2.gz QETUOIFWNNMVFN-FPOVZHCZSA-N 1 1 383.536 4.385 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000030153655 820580387 /nfs/dbraw/zinc/58/03/87/820580387.db2.gz OFHZHKIVFQUPHY-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO Cc1cc(C)c(NC(=O)CN2CCC[N@@H+](Cc3ccccc3C)CC2)c(C)c1 ZINC000030153706 820580799 /nfs/dbraw/zinc/58/07/99/820580799.db2.gz LIOWJBOQILTHJV-UHFFFAOYSA-N 1 1 379.548 4.067 20 0 GIADMO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)c(OC)c1 ZINC000059375566 823494430 /nfs/dbraw/zinc/49/44/30/823494430.db2.gz QEJVZHDLUFOSDY-HLJKATFASA-N 1 1 391.458 4.439 20 0 GIADMO C/C=C/c1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)c(OC)c1 ZINC000059375566 823494432 /nfs/dbraw/zinc/49/44/32/823494432.db2.gz QEJVZHDLUFOSDY-HLJKATFASA-N 1 1 391.458 4.439 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)ccc1OC(C)C ZINC000030454975 820618761 /nfs/dbraw/zinc/61/87/61/820618761.db2.gz APUIPTWGIOBNJR-OPAMFIHVSA-N 1 1 382.504 4.153 20 0 GIADMO O=C(NC1CC1)[C@H]([NH2+]Cc1cccc(COCc2ccco2)c1)c1ccccc1 ZINC000030511086 820627869 /nfs/dbraw/zinc/62/78/69/820627869.db2.gz JWKCRAISDOFNFH-HSZRJFAPSA-N 1 1 390.483 4.106 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1 ZINC000189776325 823492256 /nfs/dbraw/zinc/49/22/56/823492256.db2.gz HPKOXTNSDRKBID-HUUCEWRRSA-N 1 1 378.480 4.231 20 0 GIADMO CC[N@@H+](Cc1cc(=O)n2ccccc2n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123297229 823492347 /nfs/dbraw/zinc/49/23/47/823492347.db2.gz YOYMWXFRBRRLMD-CQSZACIVSA-N 1 1 375.394 4.296 20 0 GIADMO O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177578006 823495227 /nfs/dbraw/zinc/49/52/27/823495227.db2.gz PIOZFZRCGSOMGL-SFHVURJKSA-N 1 1 383.561 4.123 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(OCc2cccc(F)c2)c1)c1ccco1 ZINC000059358467 823493325 /nfs/dbraw/zinc/49/33/25/823493325.db2.gz ONQLVLJJLCSHDN-FQEVSTJZSA-N 1 1 397.450 4.422 20 0 GIADMO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000123303570 823493447 /nfs/dbraw/zinc/49/34/47/823493447.db2.gz DELQJDHGDCIFTH-QRWLVFNGSA-N 1 1 381.501 4.248 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000189798527 823496542 /nfs/dbraw/zinc/49/65/42/823496542.db2.gz IALUMYXFSDMKII-ICSRJNTNSA-N 1 1 395.551 4.230 20 0 GIADMO Fc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1Br ZINC000177595863 823498359 /nfs/dbraw/zinc/49/83/59/823498359.db2.gz FVYZZPGXQLMEAJ-MRXNPFEDSA-N 1 1 386.305 4.138 20 0 GIADMO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030942479 820710544 /nfs/dbraw/zinc/71/05/44/820710544.db2.gz ZAQFPIIWCQFXAO-IBGZPJMESA-N 1 1 393.531 4.066 20 0 GIADMO O=C(N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000059855316 823500726 /nfs/dbraw/zinc/50/07/26/823500726.db2.gz HACTWOMTRRQAND-UHFFFAOYSA-N 1 1 386.898 4.245 20 0 GIADMO O=C(N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000059855316 823500728 /nfs/dbraw/zinc/50/07/28/823500728.db2.gz HACTWOMTRRQAND-UHFFFAOYSA-N 1 1 386.898 4.245 20 0 GIADMO COCCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123362607 823501611 /nfs/dbraw/zinc/50/16/11/823501611.db2.gz UFPAQSNWPYPNKV-GOSISDBHSA-N 1 1 392.503 4.100 20 0 GIADMO O=C(CC[N@H+](Cc1ccco1)C[C@H]1CCCO1)Nc1cccc2ccccc21 ZINC000060038971 823505790 /nfs/dbraw/zinc/50/57/90/823505790.db2.gz DXQDLTBVFJUXRF-HXUWFJFHSA-N 1 1 378.472 4.443 20 0 GIADMO CC(C)COC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000060065498 823506847 /nfs/dbraw/zinc/50/68/47/823506847.db2.gz GCNXOIGKNMBPFC-NRFANRHFSA-N 1 1 395.503 4.494 20 0 GIADMO C[C@@H]1C[C@H](N(C)Cc2ncc(-c3ccccc3Br)o2)CC[N@H+]1C ZINC000123415704 823507173 /nfs/dbraw/zinc/50/71/73/823507173.db2.gz SGVLWXOYWJRFBS-ZIAGYGMSSA-N 1 1 378.314 4.019 20 0 GIADMO COc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(OC)c2)c2ccc(F)cc2)cc1 ZINC000060089092 823507366 /nfs/dbraw/zinc/50/73/66/823507366.db2.gz RZFIEHBAKCTAOY-HSZRJFAPSA-N 1 1 394.446 4.161 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031543816 820823219 /nfs/dbraw/zinc/82/32/19/820823219.db2.gz NGUWTJYILXOHOB-GOSISDBHSA-N 1 1 395.528 4.035 20 0 GIADMO C[C@@H](NC(=O)N1CCc2cc(Cl)ccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189867100 823508051 /nfs/dbraw/zinc/50/80/51/823508051.db2.gz YEXIPXJGOQYNLB-WBVHZDCISA-N 1 1 375.944 4.061 20 0 GIADMO CCC1=C(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCCO1 ZINC000189873565 823508655 /nfs/dbraw/zinc/50/86/55/823508655.db2.gz GCUZEODYZOQPQK-AUUYWEPGSA-N 1 1 380.891 4.063 20 0 GIADMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CC1 ZINC000031654569 820839346 /nfs/dbraw/zinc/83/93/46/820839346.db2.gz WOJBOBMLLQAQKK-MRXNPFEDSA-N 1 1 377.488 4.140 20 0 GIADMO C[C@H](C/N=C/c1cc(Br)ccc1O)[N@H+]1CCc2sccc2C1 ZINC000031854492 820868192 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C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189950067 823517032 /nfs/dbraw/zinc/51/70/32/823517032.db2.gz DWOMLXJLAQYHHI-DETIRCLXSA-N 1 1 399.623 4.017 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000177723624 823517071 /nfs/dbraw/zinc/51/70/71/823517071.db2.gz OTEXOIXPMGQTCD-QWXGXRTQSA-N 1 1 390.574 4.168 20 0 GIADMO Cc1ccccc1NC(=O)CC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189948031 823517076 /nfs/dbraw/zinc/51/70/76/823517076.db2.gz OHLDGNPUXFYAFN-WOJBJXKFSA-N 1 1 379.548 4.070 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000177723638 823517101 /nfs/dbraw/zinc/51/71/01/823517101.db2.gz OTEXOIXPMGQTCD-PVPMGCCUSA-N 1 1 390.574 4.168 20 0 GIADMO CSc1cc(C)ccc1CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000123531281 823518282 /nfs/dbraw/zinc/51/82/82/823518282.db2.gz LTAOLORCGQVCLS-KRWDZBQOSA-N 1 1 399.560 4.432 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1ncoc1-c1ccccc1Cl)[NH+](C)C ZINC000460811560 823519188 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397.544 4.215 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@@H](C)c4ccc(S(C)(=O)=O)cc4)C3)nc2c1 ZINC000189979762 823520848 /nfs/dbraw/zinc/52/08/48/823520848.db2.gz PXWVRVWROQPEEP-WMZOPIPTSA-N 1 1 397.544 4.215 20 0 GIADMO COc1cccc(-c2nc(C[N@H+](C)CCOc3ccccc3)cs2)c1OC ZINC000032773068 821006300 /nfs/dbraw/zinc/00/63/00/821006300.db2.gz CCMJKJQGSRFOQA-UHFFFAOYSA-N 1 1 384.501 4.338 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+](C)CCOc3ccccc3)cs2)c1OC ZINC000032773068 821006308 /nfs/dbraw/zinc/00/63/08/821006308.db2.gz CCMJKJQGSRFOQA-UHFFFAOYSA-N 1 1 384.501 4.338 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1coc2ccccc12 ZINC000189981789 823521339 /nfs/dbraw/zinc/52/13/39/823521339.db2.gz DCLDETNKJRJTEM-MRXNPFEDSA-N 1 1 384.501 4.166 20 0 GIADMO CCOCCCN1CC[C@H]([NH2+]Cc2cc(Cl)nc3ccccc23)[C@H](C)C1 ZINC000189993859 823523077 /nfs/dbraw/zinc/52/30/77/823523077.db2.gz KSYOAXDRFILCCL-APWZRJJASA-N 1 1 375.944 4.115 20 0 GIADMO CCOCCC[N@@H+]1CC[C@H](NCc2cc(Cl)nc3ccccc23)[C@H](C)C1 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QVVVEJVZJSHPCY-RTWAWAEBSA-N 1 1 392.547 4.414 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)Cc1cn2cccnc2n1 ZINC000123642682 823528734 /nfs/dbraw/zinc/52/87/34/823528734.db2.gz URMHEBDXQVRXKH-UHFFFAOYSA-N 1 1 393.466 4.368 20 0 GIADMO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000036684444 821075487 /nfs/dbraw/zinc/07/54/87/821075487.db2.gz HIPLQEJNLSITNK-FUHWJXTLSA-N 1 1 390.911 4.352 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(Cl)nc2)cc1 ZINC000123655392 823529487 /nfs/dbraw/zinc/52/94/87/823529487.db2.gz NQVWTHIMBGIDPP-MRXNPFEDSA-N 1 1 386.927 4.109 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000190004020 823524399 /nfs/dbraw/zinc/52/43/99/823524399.db2.gz IRSCCGCKHMZMBX-MNOVXSKESA-N 1 1 383.241 4.445 20 0 GIADMO COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)ccc1OC(C)C ZINC000036735756 821080218 /nfs/dbraw/zinc/08/02/18/821080218.db2.gz PSDPMHSXYVNCFQ-SFHVURJKSA-N 1 1 390.911 4.169 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-c3ccco3)on2)cc1 ZINC000060426050 823526055 /nfs/dbraw/zinc/52/60/55/823526055.db2.gz YHRUUBNADPAFPC-MRXNPFEDSA-N 1 1 379.460 4.239 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCc1ccccn1)CC2 ZINC000123613688 823526035 /nfs/dbraw/zinc/52/60/35/823526035.db2.gz VQLUTEWABPRWFI-UHFFFAOYSA-N 1 1 389.499 4.269 20 0 GIADMO OCC[N@H+](Cc1ccc(-c2ccc(Br)cc2)o1)Cc1cccnc1 ZINC000177786778 823526225 /nfs/dbraw/zinc/52/62/25/823526225.db2.gz YAYLDCFTYNPPFC-UHFFFAOYSA-N 1 1 387.277 4.099 20 0 GIADMO OCC[N@@H+](Cc1ccc(-c2ccc(Br)cc2)o1)Cc1cccnc1 ZINC000177786778 823526231 /nfs/dbraw/zinc/52/62/31/823526231.db2.gz YAYLDCFTYNPPFC-UHFFFAOYSA-N 1 1 387.277 4.099 20 0 GIADMO CCN(C(=O)c1ccc(C(F)(F)F)nc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000123615206 823526273 /nfs/dbraw/zinc/52/62/73/823526273.db2.gz SPGGJEZCPIXWRD-MAUKXSAKSA-N 1 1 391.437 4.398 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCC1=CCCOC1)CC2 ZINC000123617856 823526412 /nfs/dbraw/zinc/52/64/12/823526412.db2.gz LNJXDVUYIWIHDM-UHFFFAOYSA-N 1 1 394.515 4.021 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000039563852 821116089 /nfs/dbraw/zinc/11/60/89/821116089.db2.gz BSTLDOAINFZTFD-UHFFFAOYSA-N 1 1 393.531 4.131 20 0 GIADMO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC2)c1C ZINC000060460776 823530371 /nfs/dbraw/zinc/53/03/71/823530371.db2.gz BXDVJYHMJKADRG-HXUWFJFHSA-N 1 1 378.438 4.178 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000060468028 823531541 /nfs/dbraw/zinc/53/15/41/823531541.db2.gz FRQNBEKHVSROQH-UHFFFAOYSA-N 1 1 387.321 4.316 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000460882341 823535496 /nfs/dbraw/zinc/53/54/96/823535496.db2.gz MDUURVAEXVINJU-AWEZNQCLSA-N 1 1 386.521 4.084 20 0 GIADMO CC[C@H](C)[N@@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1ccccc1 ZINC000060471450 823531710 /nfs/dbraw/zinc/53/17/10/823531710.db2.gz NKSWXOLSIFGKDH-IBGZPJMESA-N 1 1 395.547 4.408 20 0 GIADMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H](O)[C@H](C)C2)c1 ZINC000190057303 823531830 /nfs/dbraw/zinc/53/18/30/823531830.db2.gz KVSRQSDCDYZPHR-XXBNENTESA-N 1 1 375.516 4.110 20 0 GIADMO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000060482981 823533146 /nfs/dbraw/zinc/53/31/46/823533146.db2.gz KMYGRZZVGZYMFC-KRWDZBQOSA-N 1 1 398.934 4.248 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000041106446 821170759 /nfs/dbraw/zinc/17/07/59/821170759.db2.gz RBYPZIZKSBINSL-GOSISDBHSA-N 1 1 399.579 4.036 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 ZINC000123712430 823534184 /nfs/dbraw/zinc/53/41/84/823534184.db2.gz SHECDVVLSJEXHK-SFHVURJKSA-N 1 1 389.499 4.015 20 0 GIADMO CCOC(C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1)OCC ZINC000123716103 823534591 /nfs/dbraw/zinc/53/45/91/823534591.db2.gz JFHUAEGEBMOTAG-HSZRJFAPSA-N 1 1 385.504 4.050 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)Cc1cn2ccsc2n1)C1CCCCC1 ZINC000123753189 823537655 /nfs/dbraw/zinc/53/76/55/823537655.db2.gz HWSAWXUOZLYKSF-UHFFFAOYSA-N 1 1 382.533 4.342 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(-c2ccccc2)no1 ZINC000041794501 821231125 /nfs/dbraw/zinc/23/11/25/821231125.db2.gz NWEGBLJKIBXAIA-UHFFFAOYSA-N 1 1 382.489 4.426 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000123790976 823541097 /nfs/dbraw/zinc/54/10/97/823541097.db2.gz IKRIOHZTGPUAIY-AEFFLSMTSA-N 1 1 379.529 4.421 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000177864673 823538378 /nfs/dbraw/zinc/53/83/78/823538378.db2.gz CFAMPDCYJAMLGR-CVEARBPZSA-N 1 1 385.430 4.027 20 0 GIADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000460901003 823538436 /nfs/dbraw/zinc/53/84/36/823538436.db2.gz CNUCOQVLFCDYOF-FQEVSTJZSA-N 1 1 387.568 4.364 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000177869822 823538930 /nfs/dbraw/zinc/53/89/30/823538930.db2.gz HGANTADBRIIGRP-MAUKXSAKSA-N 1 1 385.474 4.386 20 0 GIADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1SC1CCCC1 ZINC000190118348 823539664 /nfs/dbraw/zinc/53/96/64/823539664.db2.gz POQWVRMFOHRUME-INIZCTEOSA-N 1 1 391.581 4.030 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000177885894 823541320 /nfs/dbraw/zinc/54/13/20/823541320.db2.gz ROHVHBLOJSDMHL-CVEARBPZSA-N 1 1 385.474 4.182 20 0 GIADMO COc1ccc2c(c1)CCN2C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000060545076 823540429 /nfs/dbraw/zinc/54/04/29/823540429.db2.gz RFDKHHGMJROBQT-GOSISDBHSA-N 1 1 393.531 4.342 20 0 GIADMO CCCOc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1OC ZINC000060546124 823540598 /nfs/dbraw/zinc/54/05/98/823540598.db2.gz MYNFEEVHPFOVLP-QGZVFWFLSA-N 1 1 391.556 4.061 20 0 GIADMO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000042133812 821273109 /nfs/dbraw/zinc/27/31/09/821273109.db2.gz NXUQFLDYMOBQOB-GOSISDBHSA-N 1 1 387.568 4.074 20 0 GIADMO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229146 821289063 /nfs/dbraw/zinc/28/90/63/821289063.db2.gz BQNAWUGYHCVBMV-HNNXBMFYSA-N 1 1 393.362 4.121 20 0 GIADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+]1CCCC[C@H]1C ZINC000042288967 821295678 /nfs/dbraw/zinc/29/56/78/821295678.db2.gz YHNMJADCNVDENK-MOPGFXCFSA-N 1 1 393.531 4.333 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000042330708 821301484 /nfs/dbraw/zinc/30/14/84/821301484.db2.gz DMKHUTZGNKCMPV-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000042330708 821301496 /nfs/dbraw/zinc/30/14/96/821301496.db2.gz DMKHUTZGNKCMPV-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000042356087 821303925 /nfs/dbraw/zinc/30/39/25/821303925.db2.gz CWCYJXNIXJNZCE-QFBILLFUSA-N 1 1 399.560 4.394 20 0 GIADMO CC(C)[C@H](NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000042635005 821317157 /nfs/dbraw/zinc/31/71/57/821317157.db2.gz RGUCXRLOFMOWRB-ZEQRLZLVSA-N 1 1 398.522 4.085 20 0 GIADMO COc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)co2)cc1 ZINC000042754463 821330885 /nfs/dbraw/zinc/33/08/85/821330885.db2.gz DBDJMBDTJRPGAI-MRXNPFEDSA-N 1 1 389.459 4.124 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)co2)cc1 ZINC000042754463 821330891 /nfs/dbraw/zinc/33/08/91/821330891.db2.gz DBDJMBDTJRPGAI-MRXNPFEDSA-N 1 1 389.459 4.124 20 0 GIADMO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000042802145 821333979 /nfs/dbraw/zinc/33/39/79/821333979.db2.gz MJIGNLQLYIAPQO-HNNXBMFYSA-N 1 1 391.437 4.082 20 0 GIADMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000042802145 821333995 /nfs/dbraw/zinc/33/39/95/821333995.db2.gz MJIGNLQLYIAPQO-HNNXBMFYSA-N 1 1 391.437 4.082 20 0 GIADMO COCc1c(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)sc2cccc(F)c21 ZINC000043085039 821359107 /nfs/dbraw/zinc/35/91/07/821359107.db2.gz PPQMVHGWALHYCT-KGLIPLIRSA-N 1 1 378.513 4.180 20 0 GIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(SC(F)F)cc2)C[C@@H](C)O1 ZINC000043118939 821364180 /nfs/dbraw/zinc/36/41/80/821364180.db2.gz XEYNHXDGKTYBFG-CHWSQXEVSA-N 1 1 387.496 4.011 20 0 GIADMO O=C(Nc1ccc(Br)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043134091 821365769 /nfs/dbraw/zinc/36/57/69/821365769.db2.gz LIXUHKRLIORZMS-UHFFFAOYSA-N 1 1 388.309 4.189 20 0 GIADMO C[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000043158397 821370604 /nfs/dbraw/zinc/37/06/04/821370604.db2.gz DQXQMBDCXDWDKU-GFCCVEGCSA-N 1 1 383.439 4.335 20 0 GIADMO C[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000043158397 821370613 /nfs/dbraw/zinc/37/06/13/821370613.db2.gz DQXQMBDCXDWDKU-GFCCVEGCSA-N 1 1 383.439 4.335 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000180624951 821373261 /nfs/dbraw/zinc/37/32/61/821373261.db2.gz AFNBFNHGTIETIH-CQSZACIVSA-N 1 1 387.434 4.172 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000180624951 821373274 /nfs/dbraw/zinc/37/32/74/821373274.db2.gz AFNBFNHGTIETIH-CQSZACIVSA-N 1 1 387.434 4.172 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@H](c4nncn4C(C)C)C3)o2)cc1C ZINC000180629660 821374868 /nfs/dbraw/zinc/37/48/68/821374868.db2.gz NYPALLFECJFQJM-MJGOQNOKSA-N 1 1 394.523 4.466 20 0 GIADMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043239369 821379790 /nfs/dbraw/zinc/37/97/90/821379790.db2.gz IMDAYUILRYZLGJ-FUHWJXTLSA-N 1 1 394.544 4.273 20 0 GIADMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043239376 821379864 /nfs/dbraw/zinc/37/98/64/821379864.db2.gz IMDAYUILRYZLGJ-WMZOPIPTSA-N 1 1 394.544 4.273 20 0 GIADMO Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H](O)c4nccn4C)C3)s2)cc1 ZINC000180653981 821384167 /nfs/dbraw/zinc/38/41/67/821384167.db2.gz GYIWSFSNDUGAEV-RXVVDRJESA-N 1 1 381.545 4.403 20 0 GIADMO CCCc1ccc([C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C(C)C)cc1 ZINC000043269488 821384179 /nfs/dbraw/zinc/38/41/79/821384179.db2.gz KGWRGGOBJBIHQO-HSZRJFAPSA-N 1 1 396.579 4.098 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)NCc1cc(-c2ccccc2)no1)c1ccccc1Cl ZINC000043307363 821389788 /nfs/dbraw/zinc/38/97/88/821389788.db2.gz HTUCDMMQGHCWBC-FQEVSTJZSA-N 1 1 398.894 4.097 20 0 GIADMO Cc1ccc(CN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C2CC2)o1 ZINC000043307284 821389890 /nfs/dbraw/zinc/38/98/90/821389890.db2.gz QOMTUMGMXHECIX-LJQANCHMSA-N 1 1 375.900 4.218 20 0 GIADMO COc1cc(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)ccn1 ZINC000043390959 821401222 /nfs/dbraw/zinc/40/12/22/821401222.db2.gz BCTDBHXYUUWQBA-UHFFFAOYSA-N 1 1 382.508 4.176 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2cn3ccccc3n2)c1 ZINC000043476960 821412416 /nfs/dbraw/zinc/41/24/16/821412416.db2.gz WEHQBDVPPPUCDO-UHFFFAOYSA-N 1 1 388.475 4.024 20 0 GIADMO O[C@H](C[C@H]1COCC[N@@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccccc1 ZINC000180716078 821414295 /nfs/dbraw/zinc/41/42/95/821414295.db2.gz ZLFZINNXQUJLPY-LEWJYISDSA-N 1 1 397.906 4.055 20 0 GIADMO O[C@H](C[C@H]1COCC[N@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccccc1 ZINC000180716078 821414298 /nfs/dbraw/zinc/41/42/98/821414298.db2.gz ZLFZINNXQUJLPY-LEWJYISDSA-N 1 1 397.906 4.055 20 0 GIADMO Cc1nc(CC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000180753341 821434746 /nfs/dbraw/zinc/43/47/46/821434746.db2.gz JQSJUNMMWXHFGV-IEBWSBKVSA-N 1 1 395.931 4.127 20 0 GIADMO Cc1nc(CC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000180753341 821434751 /nfs/dbraw/zinc/43/47/51/821434751.db2.gz JQSJUNMMWXHFGV-IEBWSBKVSA-N 1 1 395.931 4.127 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)c(OC)c1OC ZINC000180762240 821440855 /nfs/dbraw/zinc/44/08/55/821440855.db2.gz VASBONVZQBTRFK-SFHVURJKSA-N 1 1 387.451 4.089 20 0 GIADMO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1noc(-c2ccccc2)n1 ZINC000180773773 821447859 /nfs/dbraw/zinc/44/78/59/821447859.db2.gz PTMGZSBHURMVFE-ODIFPOPNSA-N 1 1 386.496 4.223 20 0 GIADMO COc1cc2nc(C[NH2+][C@@H](c3cccc(C)c3)C(C)(C)C)[nH]c(=O)c2cc1OC ZINC000180790649 821460261 /nfs/dbraw/zinc/46/02/61/821460261.db2.gz PEXCLKLKPUSLJQ-NRFANRHFSA-N 1 1 395.503 4.126 20 0 GIADMO Cc1ccc(C[C@@H](C)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000180797223 821463964 /nfs/dbraw/zinc/46/39/64/821463964.db2.gz CAPJSFAFPQXYQB-QGZVFWFLSA-N 1 1 386.486 4.233 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000180801494 821466024 /nfs/dbraw/zinc/46/60/24/821466024.db2.gz FQYOLSQYBYCPDM-MRXNPFEDSA-N 1 1 375.398 4.129 20 0 GIADMO Cc1ncc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1-c1ccccc1 ZINC000180803158 821466711 /nfs/dbraw/zinc/46/67/11/821466711.db2.gz KSTUXLXZZLUVBH-QGZVFWFLSA-N 1 1 389.425 4.233 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)n1 ZINC000180803224 821466828 /nfs/dbraw/zinc/46/68/28/821466828.db2.gz LRHFAZROBAOHLM-INIZCTEOSA-N 1 1 375.398 4.129 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)n1 ZINC000180803224 821466834 /nfs/dbraw/zinc/46/68/34/821466834.db2.gz LRHFAZROBAOHLM-INIZCTEOSA-N 1 1 375.398 4.129 20 0 GIADMO Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000180806222 821468984 /nfs/dbraw/zinc/46/89/84/821468984.db2.gz RLRMRKROSRVNAZ-UHFFFAOYSA-N 1 1 386.561 4.044 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863193 821501272 /nfs/dbraw/zinc/50/12/72/821501272.db2.gz AXJFERCGDKKANX-SQNIBIBYSA-N 1 1 395.551 4.333 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863193 821501275 /nfs/dbraw/zinc/50/12/75/821501275.db2.gz AXJFERCGDKKANX-SQNIBIBYSA-N 1 1 395.551 4.333 20 0 GIADMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000180868113 821503697 /nfs/dbraw/zinc/50/36/97/821503697.db2.gz LIIDZJZTJCDRLX-MAUKXSAKSA-N 1 1 390.321 4.231 20 0 GIADMO COCCOc1c(Cl)cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000180876143 821507417 /nfs/dbraw/zinc/50/74/17/821507417.db2.gz FXPDGAJLEADVQB-QGZVFWFLSA-N 1 1 397.302 4.260 20 0 GIADMO Cc1c(Br)cccc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180875687 821507433 /nfs/dbraw/zinc/50/74/33/821507433.db2.gz OJSYLFMIBCAILF-HNNXBMFYSA-N 1 1 375.314 4.064 20 0 GIADMO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2ccc(-n4ccnc4)nc2)C3)cs1 ZINC000180882188 821511340 /nfs/dbraw/zinc/51/13/40/821511340.db2.gz GXYQQHMOSXNMSU-UHFFFAOYSA-N 1 1 393.541 4.319 20 0 GIADMO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2ccc(-n4ccnc4)nc2)C3)cs1 ZINC000180882188 821511345 /nfs/dbraw/zinc/51/13/45/821511345.db2.gz GXYQQHMOSXNMSU-UHFFFAOYSA-N 1 1 393.541 4.319 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180930095 821543991 /nfs/dbraw/zinc/54/39/91/821543991.db2.gz JASPBBZCTIQGQV-SFHVURJKSA-N 1 1 384.487 4.192 20 0 GIADMO O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000044308901 821565601 /nfs/dbraw/zinc/56/56/01/821565601.db2.gz XYLGJQVGSFHMQX-UHFFFAOYSA-N 1 1 390.487 4.097 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000180996718 821582964 /nfs/dbraw/zinc/58/29/64/821582964.db2.gz AKBYFMCYQFUDSR-LJQANCHMSA-N 1 1 382.552 4.289 20 0 GIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NCc2ccc(Oc3ccccc3)o2)c1 ZINC000181016184 821595255 /nfs/dbraw/zinc/59/52/55/821595255.db2.gz AIOCRTIVSQUNAR-OAQYLSRUSA-N 1 1 391.471 4.134 20 0 GIADMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)oc2c1C(=O)CCC2 ZINC000044552654 821607632 /nfs/dbraw/zinc/60/76/32/821607632.db2.gz SWCAPQLQDUNSHQ-MRXNPFEDSA-N 1 1 394.515 4.411 20 0 GIADMO CC[N@@H+]1CC[C@H](NC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181108930 821638205 /nfs/dbraw/zinc/63/82/05/821638205.db2.gz AOBFSTFBDYAZIR-FPOVZHCZSA-N 1 1 389.902 4.149 20 0 GIADMO CC[N@H+]1CC[C@H](NC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181108930 821638209 /nfs/dbraw/zinc/63/82/09/821638209.db2.gz AOBFSTFBDYAZIR-FPOVZHCZSA-N 1 1 389.902 4.149 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cc(F)cc5c4OCOC5)C3)nc2c1 ZINC000181149559 821664116 /nfs/dbraw/zinc/66/41/16/821664116.db2.gz SESAEBFLYOTVQI-OAHLLOKOSA-N 1 1 381.451 4.257 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4cc(F)cc5c4OCOC5)C3)[nH]c2c1 ZINC000181149559 821664120 /nfs/dbraw/zinc/66/41/20/821664120.db2.gz SESAEBFLYOTVQI-OAHLLOKOSA-N 1 1 381.451 4.257 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4cc(F)cc5c4OCOC5)C3)[nH]c2c1 ZINC000181149559 821664127 /nfs/dbraw/zinc/66/41/27/821664127.db2.gz SESAEBFLYOTVQI-OAHLLOKOSA-N 1 1 381.451 4.257 20 0 GIADMO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000181157527 821669394 /nfs/dbraw/zinc/66/93/94/821669394.db2.gz YJLTXPYPDAKLFN-KGLIPLIRSA-N 1 1 384.867 4.288 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cnn(C)c4C(F)(F)F)C3)nc2c1 ZINC000181163129 821673020 /nfs/dbraw/zinc/67/30/20/821673020.db2.gz XGDGOEKDFMELPY-ZDUSSCGKSA-N 1 1 377.414 4.003 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cnn(C)c4C(F)(F)F)C3)[nH]c2c1 ZINC000181163129 821673022 /nfs/dbraw/zinc/67/30/22/821673022.db2.gz XGDGOEKDFMELPY-ZDUSSCGKSA-N 1 1 377.414 4.003 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cnn(C)c4C(F)(F)F)C3)[nH]c2c1 ZINC000181163129 821673024 /nfs/dbraw/zinc/67/30/24/821673024.db2.gz XGDGOEKDFMELPY-ZDUSSCGKSA-N 1 1 377.414 4.003 20 0 GIADMO Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000181184410 821683512 /nfs/dbraw/zinc/68/35/12/821683512.db2.gz SFWLSUFAXNHTRA-HNNXBMFYSA-N 1 1 375.314 4.064 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000045003305 821689177 /nfs/dbraw/zinc/68/91/77/821689177.db2.gz RBMKTWPPKXCFQU-INIZCTEOSA-N 1 1 396.487 4.101 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000045003305 821689180 /nfs/dbraw/zinc/68/91/80/821689180.db2.gz RBMKTWPPKXCFQU-INIZCTEOSA-N 1 1 396.487 4.101 20 0 GIADMO CN(Cc1ccccc1Br)C(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000045006930 821689871 /nfs/dbraw/zinc/68/98/71/821689871.db2.gz JWNYTWOBCMLWKB-UHFFFAOYSA-N 1 1 393.350 4.134 20 0 GIADMO CN(Cc1ccccc1Br)C(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000045006930 821689875 /nfs/dbraw/zinc/68/98/75/821689875.db2.gz JWNYTWOBCMLWKB-UHFFFAOYSA-N 1 1 393.350 4.134 20 0 GIADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccnc(Cl)c2)cc1 ZINC000181233756 821710217 /nfs/dbraw/zinc/71/02/17/821710217.db2.gz BYMJVLFCIPGORK-UHFFFAOYSA-N 1 1 384.911 4.423 20 0 GIADMO COCCc1noc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000181241815 821714961 /nfs/dbraw/zinc/71/49/61/821714961.db2.gz ZIGKMYDVZYNNTQ-OFNKIYASSA-N 1 1 377.488 4.210 20 0 GIADMO c1cc(C[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C2CCCC2)cc2c1OCC2 ZINC000181246633 821717124 /nfs/dbraw/zinc/71/71/24/821717124.db2.gz NEXPHMAXPYKOCV-UHFFFAOYSA-N 1 1 378.520 4.370 20 0 GIADMO c1cc(C[N@H+](Cc2nnc(C3CC3)n2C2CC2)C2CCCC2)cc2c1OCC2 ZINC000181246633 821717126 /nfs/dbraw/zinc/71/71/26/821717126.db2.gz NEXPHMAXPYKOCV-UHFFFAOYSA-N 1 1 378.520 4.370 20 0 GIADMO Fc1ccc2oc(C[N@H+]3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)nc2c1 ZINC000181307598 821747204 /nfs/dbraw/zinc/74/72/04/821747204.db2.gz FQWKPIGVHANXJF-OAHLLOKOSA-N 1 1 377.423 4.132 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000181310840 821749248 /nfs/dbraw/zinc/74/92/48/821749248.db2.gz VIOITFPLEBUEDK-CQSZACIVSA-N 1 1 380.473 4.013 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3cccc(N4CCOC4=O)c3)co2)cc1 ZINC000181315601 821753923 /nfs/dbraw/zinc/75/39/23/821753923.db2.gz DRGLPGZEZJXTBP-HNNXBMFYSA-N 1 1 393.443 4.158 20 0 GIADMO Fc1ccc2c(c1)[nH]cc2C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181320100 821756844 /nfs/dbraw/zinc/75/68/44/821756844.db2.gz ZXSWOKOVAYCTGV-UHFFFAOYSA-N 1 1 379.483 4.490 20 0 GIADMO COc1ccc(-c2cnc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)o2)cc1 ZINC000181347687 821777737 /nfs/dbraw/zinc/77/77/37/821777737.db2.gz VFERBSSPUARGNX-INIZCTEOSA-N 1 1 391.471 4.328 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000181367043 821790874 /nfs/dbraw/zinc/79/08/74/821790874.db2.gz AKCKTVDSQLOXBD-HNNXBMFYSA-N 1 1 379.435 4.458 20 0 GIADMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000181385136 821799498 /nfs/dbraw/zinc/79/94/98/821799498.db2.gz KTAFTPYGOVENLI-AWEZNQCLSA-N 1 1 390.505 4.074 20 0 GIADMO COCCc1nc(C)c([C@H](C)[NH2+]Cc2cc(F)ccc2Br)s1 ZINC000181392931 821803128 /nfs/dbraw/zinc/80/31/28/821803128.db2.gz TYJAIJZZTFGXFM-JTQLQIEISA-N 1 1 387.318 4.393 20 0 GIADMO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000181393494 821804054 /nfs/dbraw/zinc/80/40/54/821804054.db2.gz SNJJEEOLXWPPOZ-BZNIZROVSA-N 1 1 384.701 4.495 20 0 GIADMO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(SC(F)F)cc1 ZINC000181415846 821813840 /nfs/dbraw/zinc/81/38/40/821813840.db2.gz MDEKSMWPZFHLCD-KYNGSXCRSA-N 1 1 384.536 4.420 20 0 GIADMO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000181416655 821814597 /nfs/dbraw/zinc/81/45/97/821814597.db2.gz UVSOWZZBPZAJMV-JVPBZIDWSA-N 1 1 386.458 4.004 20 0 GIADMO COc1ccc(C[C@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)c2ccc(OC)cc2)cc1 ZINC000181424814 821820292 /nfs/dbraw/zinc/82/02/92/821820292.db2.gz MBHUVXXVNCOVMZ-HJPURHCSSA-N 1 1 379.504 4.240 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Br)cc1 ZINC000181434989 821825802 /nfs/dbraw/zinc/82/58/02/821825802.db2.gz FHAUDXGQZZZCLZ-YQQAZPJKSA-N 1 1 393.369 4.322 20 0 GIADMO C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181449944 821831486 /nfs/dbraw/zinc/83/14/86/821831486.db2.gz HXDGCQQFXRPMRP-NVXWUHKLSA-N 1 1 380.985 4.342 20 0 GIADMO C[C@H](NC(=O)c1ccnc(OCc2ccccc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181460576 821836281 /nfs/dbraw/zinc/83/62/81/821836281.db2.gz BZDJSCOXMFJNBN-GHTZIAJQSA-N 1 1 393.531 4.043 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000181477999 821843833 /nfs/dbraw/zinc/84/38/33/821843833.db2.gz KZVHIMKNFSUMOO-NRFANRHFSA-N 1 1 394.519 4.051 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CC1(Cl)Cl ZINC000181497979 821855173 /nfs/dbraw/zinc/85/51/73/821855173.db2.gz LOKRTVWQSDKUHB-CQSZACIVSA-N 1 1 396.145 4.268 20 0 GIADMO COc1ccc2cccc(CC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2c1 ZINC000181505903 821857546 /nfs/dbraw/zinc/85/75/46/821857546.db2.gz TYKOXSRQMUIGFQ-FXAWDEMLSA-N 1 1 380.532 4.160 20 0 GIADMO Cc1cccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1Br ZINC000181506172 821858491 /nfs/dbraw/zinc/85/84/91/821858491.db2.gz JGUKRSKNSCNVDG-HUUCEWRRSA-N 1 1 379.342 4.140 20 0 GIADMO C[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)c1cccc(O)c1 ZINC000181509031 821859517 /nfs/dbraw/zinc/85/95/17/821859517.db2.gz DBSCNPIDFRMZGL-CYBMUJFWSA-N 1 1 384.277 4.463 20 0 GIADMO Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181513048 821861841 /nfs/dbraw/zinc/86/18/41/821861841.db2.gz IJRZKNAKJNCFSB-RHSMWYFYSA-N 1 1 375.582 4.492 20 0 GIADMO C[C@@H](NC(=O)CCc1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181521708 821865444 /nfs/dbraw/zinc/86/54/44/821865444.db2.gz SGXGIRHGDMJHQW-NVXWUHKLSA-N 1 1 393.369 4.151 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)sc1Cl ZINC000181525235 821866822 /nfs/dbraw/zinc/86/68/22/821866822.db2.gz BRGDQLWEQPNMBF-VXNVDRBHSA-N 1 1 375.243 4.259 20 0 GIADMO Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2F)n1 ZINC000181530064 821867914 /nfs/dbraw/zinc/86/79/14/821867914.db2.gz ABTXQAVBPKWBGM-IEBWSBKVSA-N 1 1 398.526 4.011 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181538113 821872499 /nfs/dbraw/zinc/87/24/99/821872499.db2.gz RFLBQVFWZKLEFP-MLGOLLRUSA-N 1 1 395.425 4.224 20 0 GIADMO C[C@H](NC(=O)c1ccc(Br)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181544935 821875214 /nfs/dbraw/zinc/87/52/14/821875214.db2.gz QDOAAJSFEGPNHZ-STQMWFEESA-N 1 1 399.760 4.485 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000181552694 821878513 /nfs/dbraw/zinc/87/85/13/821878513.db2.gz SVURRAPVFGTTAK-UHFFFAOYSA-N 1 1 377.488 4.267 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1cccc(O)c1 ZINC000181562966 821881972 /nfs/dbraw/zinc/88/19/72/821881972.db2.gz GGIRTGBWTWJMTF-RDTXWAMCSA-N 1 1 395.484 4.075 20 0 GIADMO O=c1cc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)nc2sccn21 ZINC000181595728 821895689 /nfs/dbraw/zinc/89/56/89/821895689.db2.gz PPWDKWWDIIFGQY-LJQANCHMSA-N 1 1 395.915 4.483 20 0 GIADMO COC[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000181659449 821928287 /nfs/dbraw/zinc/92/82/87/821928287.db2.gz ZEMFLTUFDAWHIH-IBGZPJMESA-N 1 1 398.304 4.383 20 0 GIADMO C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181663270 821930713 /nfs/dbraw/zinc/93/07/13/821930713.db2.gz YQCDAAKHJFPCDO-MJGOQNOKSA-N 1 1 379.504 4.257 20 0 GIADMO CO[C@@H](C)c1nc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)cs1 ZINC000181664123 821931446 /nfs/dbraw/zinc/93/14/46/821931446.db2.gz NCUZIYFOXIRITL-NSHDSACASA-N 1 1 389.443 4.212 20 0 GIADMO COc1ccc(-c2cncc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)cc1 ZINC000181670645 821935538 /nfs/dbraw/zinc/93/55/38/821935538.db2.gz BGVIHFJBVVCCHE-PKOBYXMFSA-N 1 1 393.531 4.140 20 0 GIADMO C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669896 821935706 /nfs/dbraw/zinc/93/57/06/821935706.db2.gz YLAWHFRWRPRQMJ-LSDHHAIUSA-N 1 1 387.524 4.332 20 0 GIADMO CCC[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)cc1F ZINC000181672854 821937071 /nfs/dbraw/zinc/93/70/71/821937071.db2.gz BLXMICHZEKRJQO-OAHLLOKOSA-N 1 1 389.471 4.383 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000181674275 821937802 /nfs/dbraw/zinc/93/78/02/821937802.db2.gz FBTOUUYHMGJJCH-AWEZNQCLSA-N 1 1 393.503 4.073 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000181674275 821937807 /nfs/dbraw/zinc/93/78/07/821937807.db2.gz FBTOUUYHMGJJCH-AWEZNQCLSA-N 1 1 393.503 4.073 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)c1ccc(C)cc1 ZINC000181677940 821939109 /nfs/dbraw/zinc/93/91/09/821939109.db2.gz CHPAIISJBXXULX-SFHVURJKSA-N 1 1 382.533 4.070 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccccc1-n1cccn1 ZINC000181764499 821982326 /nfs/dbraw/zinc/98/23/26/821982326.db2.gz ZGEWJQKBFRXLHR-HNNXBMFYSA-N 1 1 379.414 4.187 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000181778085 821988120 /nfs/dbraw/zinc/98/81/20/821988120.db2.gz AFPBLTTYPYIOAW-JKSUJKDBSA-N 1 1 381.476 4.191 20 0 GIADMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000181822564 822006693 /nfs/dbraw/zinc/00/66/93/822006693.db2.gz XEAZQACVEXJRTN-IAGOWNOFSA-N 1 1 397.548 4.027 20 0 GIADMO CC(C)Sc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000181898577 822030632 /nfs/dbraw/zinc/03/06/32/822030632.db2.gz DYAJRCPLPXLEJJ-LJQANCHMSA-N 1 1 399.560 4.075 20 0 GIADMO Cc1ccc(C[N@@H+](CCO)CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000181982697 822052895 /nfs/dbraw/zinc/05/28/95/822052895.db2.gz NLFBICRSWQMSQG-UHFFFAOYSA-N 1 1 381.303 4.125 20 0 GIADMO COc1cc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1N1CCCC1=O ZINC000181987676 822054735 /nfs/dbraw/zinc/05/47/35/822054735.db2.gz GPBDOQIABFNBSY-INIZCTEOSA-N 1 1 390.487 4.489 20 0 GIADMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000182032235 822068346 /nfs/dbraw/zinc/06/83/46/822068346.db2.gz OMLGXTAKGSQGIM-HNNXBMFYSA-N 1 1 381.303 4.121 20 0 GIADMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000182032235 822068356 /nfs/dbraw/zinc/06/83/56/822068356.db2.gz OMLGXTAKGSQGIM-HNNXBMFYSA-N 1 1 381.303 4.121 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(-n2ccnn2)cc1 ZINC000182044145 822071737 /nfs/dbraw/zinc/07/17/37/822071737.db2.gz GAIUVOVHJBUXDM-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)CC3CCC(C(F)(F)F)CC3)CC2)[nH+]1 ZINC000182071586 822081651 /nfs/dbraw/zinc/08/16/51/822081651.db2.gz LALYMDOWACDNOP-UHFFFAOYSA-N 1 1 383.458 4.234 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@](C)(O)c2ccccc2)c1 ZINC000182119032 822102399 /nfs/dbraw/zinc/10/23/99/822102399.db2.gz XEFDULQGWXZCNL-HSZRJFAPSA-N 1 1 377.488 4.291 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000182124685 822104835 /nfs/dbraw/zinc/10/48/35/822104835.db2.gz SJEAZWVLSLVHKE-UHFFFAOYSA-N 1 1 397.410 4.230 20 0 GIADMO Fc1cccc(Cl)c1C[NH+]1CCC(Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000182153263 822120297 /nfs/dbraw/zinc/12/02/97/822120297.db2.gz POEAOILAENTFLX-UHFFFAOYSA-N 1 1 399.901 4.195 20 0 GIADMO CCCC[C@@H]([NH2+]Cc1nnnn1-c1c(C)cccc1C)c1ccc(OC)cc1 ZINC000182156740 822121665 /nfs/dbraw/zinc/12/16/65/822121665.db2.gz VJXFPZBINUXTKY-HXUWFJFHSA-N 1 1 379.508 4.309 20 0 GIADMO C[C@H](C1CC1)N(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182173653 822131767 /nfs/dbraw/zinc/13/17/67/822131767.db2.gz IJSXEXQXGFUBMC-CYBMUJFWSA-N 1 1 384.351 4.398 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)CCc1ccccc1 ZINC000182198788 822143431 /nfs/dbraw/zinc/14/34/31/822143431.db2.gz DTIUMCLHKMMDSW-MRXNPFEDSA-N 1 1 395.330 4.248 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)CCc1ccccc1 ZINC000182198788 822143436 /nfs/dbraw/zinc/14/34/36/822143436.db2.gz DTIUMCLHKMMDSW-MRXNPFEDSA-N 1 1 395.330 4.248 20 0 GIADMO CN(C)C(=O)CC1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000182212440 822149720 /nfs/dbraw/zinc/14/97/20/822149720.db2.gz KXIVYASNLJCOOO-UHFFFAOYSA-N 1 1 377.941 4.154 20 0 GIADMO COc1ccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1N1CCOC1=O ZINC000182370652 822218635 /nfs/dbraw/zinc/21/86/35/822218635.db2.gz LGUAIGOJYHNQKH-HNNXBMFYSA-N 1 1 392.459 4.319 20 0 GIADMO COc1ccc([C@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182380373 822222145 /nfs/dbraw/zinc/22/21/45/822222145.db2.gz JLONOYBHDRRLJR-XWFZLUIHSA-N 1 1 385.552 4.099 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182391520 822226504 /nfs/dbraw/zinc/22/65/04/822226504.db2.gz VEBKUUKNZKIDKI-IEBWSBKVSA-N 1 1 395.547 4.301 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1c(C)noc1C ZINC000182410041 822232902 /nfs/dbraw/zinc/23/29/02/822232902.db2.gz VPDNQNJQFBNIQZ-HNNXBMFYSA-N 1 1 388.468 4.233 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)c1c(C)noc1C ZINC000182412275 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387.568 4.065 20 0 GIADMO COc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c(OC)c1OC ZINC000182500627 822270094 /nfs/dbraw/zinc/27/00/94/822270094.db2.gz ZNRBXMKREVLBDR-MRXNPFEDSA-N 1 1 377.868 4.369 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000177987425 822270653 /nfs/dbraw/zinc/27/06/53/822270653.db2.gz JKUCIWBDSDMATC-UHOSZYNNSA-N 1 1 398.576 4.305 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC[C@@H]21 ZINC000177990923 822272761 /nfs/dbraw/zinc/27/27/61/822272761.db2.gz WRXRBRGCIKMNKE-NQIIRXRSSA-N 1 1 399.485 4.180 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C)[C@H](C)C3CCCCC3)CC2)cs1 ZINC000177998268 822276740 /nfs/dbraw/zinc/27/67/40/822276740.db2.gz BWJREWGNFCPZKM-JKSUJKDBSA-N 1 1 377.598 4.385 20 0 GIADMO CC(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000182514260 822277486 /nfs/dbraw/zinc/27/74/86/822277486.db2.gz KQITWEYFAHDIMD-SFHVURJKSA-N 1 1 399.922 4.229 20 0 GIADMO O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000182516579 822278225 /nfs/dbraw/zinc/27/82/25/822278225.db2.gz RWBBNOSMDUVGJU-PZJWPPBQSA-N 1 1 395.478 4.049 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000178008097 822279521 /nfs/dbraw/zinc/27/95/21/822279521.db2.gz DIXSIHWGZIKKHW-MRXNPFEDSA-N 1 1 378.476 4.300 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccccc3)c2C)C1 ZINC000178045633 822297895 /nfs/dbraw/zinc/29/78/95/822297895.db2.gz YMEPHBYLFXYJFZ-IBGZPJMESA-N 1 1 381.520 4.380 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCc2c1cccc2Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182559057 822302046 /nfs/dbraw/zinc/30/20/46/822302046.db2.gz GVZQDNFMSGRVGW-BXTJHSDWSA-N 1 1 375.944 4.280 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1SC ZINC000178053482 822302633 /nfs/dbraw/zinc/30/26/33/822302633.db2.gz FYQDMPJVTLVUQC-SFHVURJKSA-N 1 1 384.545 4.059 20 0 GIADMO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569412 822307012 /nfs/dbraw/zinc/30/70/12/822307012.db2.gz VJYGWFWDHQHPDR-AZCLRUCKSA-N 1 1 381.486 4.009 20 0 GIADMO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569412 822307017 /nfs/dbraw/zinc/30/70/17/822307017.db2.gz VJYGWFWDHQHPDR-AZCLRUCKSA-N 1 1 381.486 4.009 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178074129 822309829 /nfs/dbraw/zinc/30/98/29/822309829.db2.gz YRXFFMIFXVAOIY-ZDUSSCGKSA-N 1 1 394.479 4.084 20 0 GIADMO CC[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1cccc(Cl)c1 ZINC000182602711 822319087 /nfs/dbraw/zinc/31/90/87/822319087.db2.gz LFRMTHQIMQRGDW-CVEARBPZSA-N 1 1 381.701 4.370 20 0 GIADMO C[C@H](NC(=O)N[C@@H](c1ccccc1)c1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182608672 822320715 /nfs/dbraw/zinc/32/07/15/822320715.db2.gz NWEPVGWSIMOUNT-ZEYPLWLESA-N 1 1 392.547 4.123 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F)c1nccn1C ZINC000182609041 822321014 /nfs/dbraw/zinc/32/10/14/822321014.db2.gz VZZNHMUCJPEEJF-GOSISDBHSA-N 1 1 391.441 4.482 20 0 GIADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1NC(=O)c1ccco1 ZINC000178146323 822332645 /nfs/dbraw/zinc/33/26/45/822332645.db2.gz PIHKYTHOEOCWMG-QGZVFWFLSA-N 1 1 395.503 4.433 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c(OC[C@@H]2CCCO2)c1 ZINC000178151413 822334577 /nfs/dbraw/zinc/33/45/77/822334577.db2.gz IYIJIVQDGJZXOA-ICSRJNTNSA-N 1 1 386.536 4.146 20 0 GIADMO C[C@H](NC(=O)NCc1csc(-c2ccccc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182642957 822335521 /nfs/dbraw/zinc/33/55/21/822335521.db2.gz SZSWTHYXNIURIG-FUHWJXTLSA-N 1 1 398.576 4.262 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCc1ccn2ccnc2c1)C1CCCCC1 ZINC000178159996 822337185 /nfs/dbraw/zinc/33/71/85/822337185.db2.gz BEYQCFBCYJETMA-UHFFFAOYSA-N 1 1 391.519 4.421 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1OC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182646892 822337415 /nfs/dbraw/zinc/33/74/15/822337415.db2.gz YZCOSCMORUZFBP-HKUYNNGSSA-N 1 1 385.552 4.070 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000178169307 822340508 /nfs/dbraw/zinc/34/05/08/822340508.db2.gz YNHYOCBTSIXIBY-UWJYYQICSA-N 1 1 380.536 4.189 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000178169307 822340514 /nfs/dbraw/zinc/34/05/14/822340514.db2.gz YNHYOCBTSIXIBY-UWJYYQICSA-N 1 1 380.536 4.189 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000178169307 822340522 /nfs/dbraw/zinc/34/05/22/822340522.db2.gz YNHYOCBTSIXIBY-UWJYYQICSA-N 1 1 380.536 4.189 20 0 GIADMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000178175927 822342920 /nfs/dbraw/zinc/34/29/20/822342920.db2.gz VFSWNGFMBNHGLE-NFBKMPQASA-N 1 1 377.532 4.074 20 0 GIADMO COC[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691907 822352782 /nfs/dbraw/zinc/35/27/82/822352782.db2.gz AMLPGDFNPVAXRX-YWZLYKJASA-N 1 1 380.504 4.216 20 0 GIADMO COC[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691907 822352792 /nfs/dbraw/zinc/35/27/92/822352792.db2.gz AMLPGDFNPVAXRX-YWZLYKJASA-N 1 1 380.504 4.216 20 0 GIADMO CSc1cc(C)ccc1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182724650 822358220 /nfs/dbraw/zinc/35/82/20/822358220.db2.gz NFEGMAYPAHANIB-AEFFLSMTSA-N 1 1 375.582 4.169 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)N(Cc1ccco1)Cc1cccs1 ZINC000045042229 822359344 /nfs/dbraw/zinc/35/93/44/822359344.db2.gz XTRGFLGRYWXKSM-UHFFFAOYSA-N 1 1 395.528 4.111 20 0 GIADMO C[C@H](NC(=O)NCc1cccc(-c2ccccn2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182759831 822363350 /nfs/dbraw/zinc/36/33/50/822363350.db2.gz QCARTUNSDFVPMR-GHTZIAJQSA-N 1 1 392.547 4.201 20 0 GIADMO CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453452662 822366188 /nfs/dbraw/zinc/36/61/88/822366188.db2.gz QEOWTPYJAROJKH-NRSPTQNISA-N 1 1 397.567 4.029 20 0 GIADMO C[N@@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000045156464 822367180 /nfs/dbraw/zinc/36/71/80/822367180.db2.gz BCFHQCIASUWGDM-UNMCSNQZSA-N 1 1 375.472 4.067 20 0 GIADMO C[N@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000045156464 822367183 /nfs/dbraw/zinc/36/71/83/822367183.db2.gz BCFHQCIASUWGDM-UNMCSNQZSA-N 1 1 375.472 4.067 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(OCC(F)(F)F)cc1 ZINC000182829738 822374629 /nfs/dbraw/zinc/37/46/29/822374629.db2.gz MPCGRYZPFQFQOZ-KXBFYZLASA-N 1 1 379.426 4.345 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182841898 822376767 /nfs/dbraw/zinc/37/67/67/822376767.db2.gz KQOZTBZGLQHUGM-ZFWWWQNUSA-N 1 1 398.404 4.014 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182841898 822376771 /nfs/dbraw/zinc/37/67/71/822376771.db2.gz KQOZTBZGLQHUGM-ZFWWWQNUSA-N 1 1 398.404 4.014 20 0 GIADMO COc1c(C)cc(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000182841810 822376781 /nfs/dbraw/zinc/37/67/81/822376781.db2.gz YSJLKNUJFBVPDB-AZUAARDMSA-N 1 1 387.568 4.106 20 0 GIADMO O=C(Nc1ccccc1OC(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178434272 822378729 /nfs/dbraw/zinc/37/87/29/822378729.db2.gz YFQWBANNWVXFTD-BBRMVZONSA-N 1 1 383.414 4.066 20 0 GIADMO C[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182851158 822378837 /nfs/dbraw/zinc/37/88/37/822378837.db2.gz SFFCRGAFWCFEKJ-HOCLYGCPSA-N 1 1 386.927 4.113 20 0 GIADMO O=C(Nc1cccc(OC2CCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178436669 822378971 /nfs/dbraw/zinc/37/89/71/822378971.db2.gz BEUCQKMCGBBXFK-VGOFRKELSA-N 1 1 383.536 4.489 20 0 GIADMO C[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182851126 822378980 /nfs/dbraw/zinc/37/89/80/822378980.db2.gz SFFCRGAFWCFEKJ-GOEBONIOSA-N 1 1 386.927 4.113 20 0 GIADMO CSc1ccc(Cl)cc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000178447517 822379792 /nfs/dbraw/zinc/37/97/92/822379792.db2.gz VXDMIVHXJZIDFA-UHFFFAOYSA-N 1 1 378.929 4.282 20 0 GIADMO CC(C)COc1ccccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178451279 822380258 /nfs/dbraw/zinc/38/02/58/822380258.db2.gz NWJZMSOXQMHVDD-HNNXBMFYSA-N 1 1 379.497 4.115 20 0 GIADMO C[C@@H](NC(=O)N1CCC(COc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182861133 822381161 /nfs/dbraw/zinc/38/11/61/822381161.db2.gz UGNYHXRYJTVCHE-CTNGQTDRSA-N 1 1 399.579 4.140 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182866983 822382178 /nfs/dbraw/zinc/38/21/78/822382178.db2.gz VRZKBQSKIPDNJZ-ZIAGYGMSSA-N 1 1 385.430 4.360 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182866960 822382192 /nfs/dbraw/zinc/38/21/92/822382192.db2.gz VRZKBQSKIPDNJZ-UONOGXRCSA-N 1 1 385.430 4.360 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)CCc1ccc(O)cc1 ZINC000045380510 822382536 /nfs/dbraw/zinc/38/25/36/822382536.db2.gz ZIHHEKVGABYITB-GOSISDBHSA-N 1 1 383.536 4.053 20 0 GIADMO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc2c(c1)CCC(=O)N2 ZINC000178477803 822383295 /nfs/dbraw/zinc/38/32/95/822383295.db2.gz OJXUMCIYUVWRIW-MRXNPFEDSA-N 1 1 386.499 4.097 20 0 GIADMO Cc1cc(Br)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)s1 ZINC000453559021 822384941 /nfs/dbraw/zinc/38/49/41/822384941.db2.gz DRCSYXSFLARRLD-UHFFFAOYSA-N 1 1 393.350 4.213 20 0 GIADMO Cc1cc(Br)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)s1 ZINC000453570978 822385954 /nfs/dbraw/zinc/38/59/54/822385954.db2.gz DILDZJCCKDMQHV-ZDUSSCGKSA-N 1 1 397.338 4.054 20 0 GIADMO CCC[C@@H]1CN(C(=O)Nc2ccccc2COC)CC[N@H+]1Cc1ccccc1 ZINC000182887467 822386307 /nfs/dbraw/zinc/38/63/07/822386307.db2.gz NFHSQEHLZSQYLW-OAQYLSRUSA-N 1 1 381.520 4.351 20 0 GIADMO CCc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000045415961 822386424 /nfs/dbraw/zinc/38/64/24/822386424.db2.gz GRMVEQIZGKFYDX-MRXNPFEDSA-N 1 1 388.475 4.073 20 0 GIADMO CCc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000045415961 822386429 /nfs/dbraw/zinc/38/64/29/822386429.db2.gz GRMVEQIZGKFYDX-MRXNPFEDSA-N 1 1 388.475 4.073 20 0 GIADMO Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CCC2 ZINC000182889926 822386849 /nfs/dbraw/zinc/38/68/49/822386849.db2.gz LGAOQAVMMVGIPJ-ZSZQSSIHSA-N 1 1 390.597 4.123 20 0 GIADMO C[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)CCO2 ZINC000178534569 822388893 /nfs/dbraw/zinc/38/88/93/822388893.db2.gz QHKGHKARVMHHNI-OALUTQOASA-N 1 1 380.532 4.172 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182906491 822390171 /nfs/dbraw/zinc/39/01/71/822390171.db2.gz CDQZQEUIHCZDJU-OLZOCXBDSA-N 1 1 385.430 4.202 20 0 GIADMO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2sc(C)cc2Br)cc1 ZINC000453600620 822391185 /nfs/dbraw/zinc/39/11/85/822391185.db2.gz QMOCKZJPYIMBRV-MRXNPFEDSA-N 1 1 383.355 4.220 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]CCc2ccc(C)cn2)cs1)c1ccc(F)cc1 ZINC000453607987 822392204 /nfs/dbraw/zinc/39/22/04/822392204.db2.gz YGOFSVQZTIMLME-UHFFFAOYSA-N 1 1 384.480 4.003 20 0 GIADMO Brc1ccc([C@H]2CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)nc1 ZINC000453608383 822392382 /nfs/dbraw/zinc/39/23/82/822392382.db2.gz GZXRXENMDGZXRV-QGZVFWFLSA-N 1 1 389.322 4.428 20 0 GIADMO Brc1ccc([C@H]2CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)nc1 ZINC000453608383 822392384 /nfs/dbraw/zinc/39/23/84/822392384.db2.gz GZXRXENMDGZXRV-QGZVFWFLSA-N 1 1 389.322 4.428 20 0 GIADMO C[C@@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182919410 822392770 /nfs/dbraw/zinc/39/27/70/822392770.db2.gz YUPZUPXZCRUOED-MJGOQNOKSA-N 1 1 387.543 4.195 20 0 GIADMO COc1cccc(C2CCN(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC000182927739 822394493 /nfs/dbraw/zinc/39/44/93/822394493.db2.gz NYKSIDAEUYBWSF-NQIIRXRSSA-N 1 1 399.579 4.237 20 0 GIADMO Cc1ccc2oc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2n1 ZINC000178599830 822395411 /nfs/dbraw/zinc/39/54/11/822395411.db2.gz FNQUXVYXSMHTKR-FPOVZHCZSA-N 1 1 389.499 4.263 20 0 GIADMO C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1nccs1 ZINC000182959583 822399989 /nfs/dbraw/zinc/39/99/89/822399989.db2.gz UJNWSFICSQMLLK-IAGOWNOFSA-N 1 1 386.565 4.120 20 0 GIADMO O=C(c1cc2ccccc2c(Cl)n1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000178662742 822400761 /nfs/dbraw/zinc/40/07/61/822400761.db2.gz LVGLIYJXYANHMH-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO O=C(c1cc2ccccc2c(Cl)n1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000178662742 822400763 /nfs/dbraw/zinc/40/07/63/822400763.db2.gz LVGLIYJXYANHMH-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(C2CCCCC2)n1 ZINC000182973007 822402424 /nfs/dbraw/zinc/40/24/24/822402424.db2.gz GZNCTKUCYMFLDR-LJQANCHMSA-N 1 1 396.583 4.165 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)c2ccncc2)cc1NC(C)=O ZINC000178704656 822404291 /nfs/dbraw/zinc/40/42/91/822404291.db2.gz YZCATLWDGLVWBZ-QMHKHESXSA-N 1 1 375.472 4.489 20 0 GIADMO Cc1cc(C(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1CCc1cccs1 ZINC000178717708 822405297 /nfs/dbraw/zinc/40/52/97/822405297.db2.gz NDUGYABDWZKCOE-VQIMIIECSA-N 1 1 387.593 4.006 20 0 GIADMO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000178758690 822407621 /nfs/dbraw/zinc/40/76/21/822407621.db2.gz ZWJUVXRLVCATPF-ZIAGYGMSSA-N 1 1 376.545 4.063 20 0 GIADMO FC(F)CN1CCC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000182994298 822407613 /nfs/dbraw/zinc/40/76/13/822407613.db2.gz HBWXKCUIONGJEK-UHFFFAOYSA-N 1 1 385.911 4.253 20 0 GIADMO COc1cc([C@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)ccc1SC ZINC000183005960 822409888 /nfs/dbraw/zinc/40/98/88/822409888.db2.gz WACAFTRYCOQBFL-HNAYVOBHSA-N 1 1 399.560 4.040 20 0 GIADMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1Cl ZINC000183007809 822410433 /nfs/dbraw/zinc/41/04/33/822410433.db2.gz NHPVUIYCDVNNCL-BFUOFWGJSA-N 1 1 375.875 4.102 20 0 GIADMO C[C@H]1C[C@H](Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c2ccsc2S1 ZINC000183011465 822411120 /nfs/dbraw/zinc/41/11/20/822411120.db2.gz FRSYZOIPQKBPNO-DOPJRALCSA-N 1 1 387.574 4.235 20 0 GIADMO O=C(Nc1ncc(Cc2ccccc2)s1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178806065 822412147 /nfs/dbraw/zinc/41/21/47/822412147.db2.gz LHAIHSIFPBCKSX-XLIONFOSSA-N 1 1 396.560 4.215 20 0 GIADMO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000045779975 822412792 /nfs/dbraw/zinc/41/27/92/822412792.db2.gz VJRRRFCVSXAJFQ-HTAPYJJXSA-N 1 1 396.535 4.404 20 0 GIADMO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)no1 ZINC000045779970 822412806 /nfs/dbraw/zinc/41/28/06/822412806.db2.gz VJRRRFCVSXAJFQ-JTSKRJEESA-N 1 1 396.535 4.404 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CCCOc1ccccc1 ZINC000045789853 822414012 /nfs/dbraw/zinc/41/40/12/822414012.db2.gz QBZURZTUSKQPOQ-UHFFFAOYSA-N 1 1 383.536 4.137 20 0 GIADMO CC(C)(C)[NH+]1CCC(Nc2cccc(NC(=O)CN3CCCCCC3)c2)CC1 ZINC000183028442 822414106 /nfs/dbraw/zinc/41/41/06/822414106.db2.gz RXUJAOGFXUKNLC-UHFFFAOYSA-N 1 1 386.584 4.176 20 0 GIADMO CCOC(=O)C[C@@H](C)N(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000183054553 822418079 /nfs/dbraw/zinc/41/80/79/822418079.db2.gz MZOCUHDVNUMIPE-QGZVFWFLSA-N 1 1 389.540 4.257 20 0 GIADMO COc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1Br ZINC000178902262 822420506 /nfs/dbraw/zinc/42/05/06/822420506.db2.gz RLVRKEMCVDYBDA-UHFFFAOYSA-N 1 1 375.060 4.103 20 0 GIADMO CC1CCN(C(=O)C2CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000178918722 822421653 /nfs/dbraw/zinc/42/16/53/822421653.db2.gz VIBJNPQMAIMFGQ-UHFFFAOYSA-N 1 1 383.561 4.281 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)cc1 ZINC000045929909 822424271 /nfs/dbraw/zinc/42/42/71/822424271.db2.gz FDWKTMWPEZAGOK-UHFFFAOYSA-N 1 1 391.515 4.141 20 0 GIADMO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2ncnn2CC(C)C)cc1 ZINC000183103205 822424699 /nfs/dbraw/zinc/42/46/99/822424699.db2.gz RXCGFXZMWMUUFB-NRFANRHFSA-N 1 1 382.483 4.155 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OCO2 ZINC000045947358 822426172 /nfs/dbraw/zinc/42/61/72/822426172.db2.gz LEBYHJUVYCZHEA-INIZCTEOSA-N 1 1 381.476 4.111 20 0 GIADMO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178987909 822426634 /nfs/dbraw/zinc/42/66/34/822426634.db2.gz UGCGRCLVMKPZAA-PXAZEXFGSA-N 1 1 383.319 4.091 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000183119814 822427153 /nfs/dbraw/zinc/42/71/53/822427153.db2.gz RJGOFQYVUIMKON-UZLBHIALSA-N 1 1 381.911 4.243 20 0 GIADMO CC[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCO1 ZINC000183139068 822429505 /nfs/dbraw/zinc/42/95/05/822429505.db2.gz SNISWINFGNTAEI-TYPHKJRUSA-N 1 1 398.572 4.169 20 0 GIADMO CC[C@@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCO1 ZINC000183139068 822429507 /nfs/dbraw/zinc/42/95/07/822429507.db2.gz SNISWINFGNTAEI-TYPHKJRUSA-N 1 1 398.572 4.169 20 0 GIADMO O=[N+]([O-])c1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1Cl ZINC000183145106 822430694 /nfs/dbraw/zinc/43/06/94/822430694.db2.gz UKVAUMYWYFUZTC-UHFFFAOYSA-N 1 1 388.777 4.301 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000045997301 822432360 /nfs/dbraw/zinc/43/23/60/822432360.db2.gz OKYJMKAUZGNEKK-IBGZPJMESA-N 1 1 396.535 4.185 20 0 GIADMO Cc1cc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000183165065 822434157 /nfs/dbraw/zinc/43/41/57/822434157.db2.gz QEHDUCHWTXOVSU-CCLHPLFOSA-N 1 1 399.947 4.315 20 0 GIADMO C(=C/[C@@H]1CCCCC[N@H+]1Cc1cn(Cc2cccnc2)nn1)\c1cccs1 ZINC000183171253 822435281 /nfs/dbraw/zinc/43/52/81/822435281.db2.gz ARQLUKILRFEBOR-XTXLJPNXSA-N 1 1 379.533 4.241 20 0 GIADMO C(=C/[C@@H]1CCCCC[N@@H+]1Cc1cn(Cc2cccnc2)nn1)\c1cccs1 ZINC000183171253 822435283 /nfs/dbraw/zinc/43/52/83/822435283.db2.gz ARQLUKILRFEBOR-XTXLJPNXSA-N 1 1 379.533 4.241 20 0 GIADMO Cc1sc2nc([C@H](C)[NH2+][C@@H](C)c3ccccc3-n3cccn3)nc(N)c2c1C ZINC000183176716 822435988 /nfs/dbraw/zinc/43/59/88/822435988.db2.gz LKPYCQDNZGQEBL-KBPBESRZSA-N 1 1 392.532 4.488 20 0 GIADMO CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000183180268 822436545 /nfs/dbraw/zinc/43/65/45/822436545.db2.gz AVKUSQOOCJGBOI-SFHVURJKSA-N 1 1 383.536 4.014 20 0 GIADMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179085616 822436587 /nfs/dbraw/zinc/43/65/87/822436587.db2.gz FTIKTIJCIFIKLW-LRDDRELGSA-N 1 1 381.339 4.308 20 0 GIADMO C[C@H](CNC(=O)c1occc1-c1ccc(F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000179096517 822437760 /nfs/dbraw/zinc/43/77/60/822437760.db2.gz MDGXICVRPWIVHQ-CQSZACIVSA-N 1 1 384.476 4.324 20 0 GIADMO C[C@H](CNC(=O)c1occc1-c1ccc(F)cc1)[N@H+]1CCc2sccc2C1 ZINC000179096517 822437761 /nfs/dbraw/zinc/43/77/61/822437761.db2.gz MDGXICVRPWIVHQ-CQSZACIVSA-N 1 1 384.476 4.324 20 0 GIADMO Cc1cc(C)c(NC(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C)c1 ZINC000183192759 822439225 /nfs/dbraw/zinc/43/92/25/822439225.db2.gz UZHAUXNMQKROJP-UHFFFAOYSA-N 1 1 394.441 4.103 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000046088493 822440705 /nfs/dbraw/zinc/44/07/05/822440705.db2.gz PRRZMKVDZVUCLN-KRWDZBQOSA-N 1 1 380.460 4.145 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cn1)c1ccc(F)cc1 ZINC000179161630 822445812 /nfs/dbraw/zinc/44/58/12/822445812.db2.gz DJXLMKBYJWNPNI-ZWKOTPCHSA-N 1 1 379.273 4.071 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cn1)c1ccc(F)cc1 ZINC000179161630 822445813 /nfs/dbraw/zinc/44/58/13/822445813.db2.gz DJXLMKBYJWNPNI-ZWKOTPCHSA-N 1 1 379.273 4.071 20 0 GIADMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000179175901 822447221 /nfs/dbraw/zinc/44/72/21/822447221.db2.gz DHTNGPQMNUSGFC-NBHGPNQESA-N 1 1 390.487 4.147 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2)c1nccs1 ZINC000183253676 822448824 /nfs/dbraw/zinc/44/88/24/822448824.db2.gz SQNVPHHTVOHKPE-LBPRGKRZSA-N 1 1 397.338 4.302 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ncc(Br)s1 ZINC000179210875 822451635 /nfs/dbraw/zinc/45/16/35/822451635.db2.gz SLPOTZOPBBUUKR-GFCCVEGCSA-N 1 1 394.338 4.273 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3ccc4ncsc4c3)CC[N@H+]2C2CC2)c1 ZINC000183276720 822452480 /nfs/dbraw/zinc/45/24/80/822452480.db2.gz KGNAWSSFIBUZKV-CTNGQTDRSA-N 1 1 393.512 4.013 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1OC ZINC000454299284 822454070 /nfs/dbraw/zinc/45/40/70/822454070.db2.gz ZRUMRSDQJVDHHD-SFHVURJKSA-N 1 1 397.519 4.080 20 0 GIADMO CO[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1(C)C ZINC000454306092 822455372 /nfs/dbraw/zinc/45/53/72/822455372.db2.gz HIQWQTLRPOHKNA-WIYYLYMNSA-N 1 1 387.568 4.018 20 0 GIADMO CCCc1ncc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)o1 ZINC000454361642 822462084 /nfs/dbraw/zinc/46/20/84/822462084.db2.gz KZLXAMGXSDIRJY-UHFFFAOYSA-N 1 1 398.551 4.391 20 0 GIADMO CO[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC000454364343 822462656 /nfs/dbraw/zinc/46/26/56/822462656.db2.gz MRKGKCVCRBEMHF-AVRDEDQJSA-N 1 1 387.568 4.018 20 0 GIADMO COc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Cc1ccccc1 ZINC000454377753 822465177 /nfs/dbraw/zinc/46/51/77/822465177.db2.gz WCIYRLUAXAVUQQ-DEOSSOPVSA-N 1 1 393.531 4.236 20 0 GIADMO Cc1ccc2c(c1)[C@H](NC(=O)NC1CCN(c3cccc(C)[nH+]3)CC1)CCC2 ZINC000179337519 822467845 /nfs/dbraw/zinc/46/78/45/822467845.db2.gz PWJYFBMUDFVCBY-OAQYLSRUSA-N 1 1 378.520 4.044 20 0 GIADMO Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)on2)cc1 ZINC000046404080 822470704 /nfs/dbraw/zinc/47/07/04/822470704.db2.gz DENPIVDWXAFUJM-UHFFFAOYSA-N 1 1 390.487 4.044 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046406960 822471093 /nfs/dbraw/zinc/47/10/93/822471093.db2.gz JIQAJABJRPKNHQ-KBPBESRZSA-N 1 1 384.867 4.083 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046406960 822471097 /nfs/dbraw/zinc/47/10/97/822471097.db2.gz JIQAJABJRPKNHQ-KBPBESRZSA-N 1 1 384.867 4.083 20 0 GIADMO O=C(NC[C@@H]1C[C@H]1c1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000454411224 822471270 /nfs/dbraw/zinc/47/12/70/822471270.db2.gz HIDITJRCYMIBPC-LMNJBCLMSA-N 1 1 383.561 4.063 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000179387877 822475279 /nfs/dbraw/zinc/47/52/79/822475279.db2.gz PFCGPGVYZRJQDW-CQSZACIVSA-N 1 1 392.931 4.113 20 0 GIADMO CCOCc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000183446643 822476263 /nfs/dbraw/zinc/47/62/63/822476263.db2.gz YNTYELBMHDOMMD-UHFFFAOYSA-N 1 1 391.302 4.400 20 0 GIADMO C[C@H](c1nc(-c2cccs2)no1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394657 822476502 /nfs/dbraw/zinc/47/65/02/822476502.db2.gz SEGBJJRLSIPURL-MRXNPFEDSA-N 1 1 397.548 4.493 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000183449398 822476815 /nfs/dbraw/zinc/47/68/15/822476815.db2.gz NWAZBEQAQJDWFH-GMAHTHKFSA-N 1 1 391.515 4.041 20 0 GIADMO C[C@H](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000183456765 822477698 /nfs/dbraw/zinc/47/76/98/822477698.db2.gz PSSWDZPPISYPNK-CRAIPNDOSA-N 1 1 388.895 4.095 20 0 GIADMO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OCC(F)F ZINC000183456218 822477703 /nfs/dbraw/zinc/47/77/03/822477703.db2.gz GEOJEKBNGDMAJV-HOTGVXAUSA-N 1 1 395.494 4.413 20 0 GIADMO COc1ccc(OC(C)C)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000183473900 822480934 /nfs/dbraw/zinc/48/09/34/822480934.db2.gz VRYXUFMDRUWZOI-IRXDYDNUSA-N 1 1 389.540 4.257 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](Cc4nccn4C)C3)cs2)cc1 ZINC000179430780 822481737 /nfs/dbraw/zinc/48/17/37/822481737.db2.gz ZENIXYYRJAMBNP-MRXNPFEDSA-N 1 1 382.533 4.007 20 0 GIADMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000179444340 822483906 /nfs/dbraw/zinc/48/39/06/822483906.db2.gz AJNGLJIBYRJLLT-OAHLLOKOSA-N 1 1 391.309 4.009 20 0 GIADMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000179449012 822484721 /nfs/dbraw/zinc/48/47/21/822484721.db2.gz UFDNNSGARACZEU-KRWDZBQOSA-N 1 1 384.524 4.074 20 0 GIADMO C/C(=C\c1ccccc1)CNc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000179454768 822485405 /nfs/dbraw/zinc/48/54/05/822485405.db2.gz MJIZLYSRLICECI-OBGWFSINSA-N 1 1 397.494 4.002 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)n1 ZINC000183493749 822485412 /nfs/dbraw/zinc/48/54/12/822485412.db2.gz RBXOTESEBFCZKL-DNVCBOLYSA-N 1 1 384.549 4.120 20 0 GIADMO CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CCC2 ZINC000179460865 822486350 /nfs/dbraw/zinc/48/63/50/822486350.db2.gz MLBOIUVUBDFQPM-ILZDJORESA-N 1 1 398.576 4.170 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)ccc1OCc1ccccc1 ZINC000179467514 822486975 /nfs/dbraw/zinc/48/69/75/822486975.db2.gz JNVLCHYBLLIYMC-NRFANRHFSA-N 1 1 392.503 4.093 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183512102 822488084 /nfs/dbraw/zinc/48/80/84/822488084.db2.gz PABDBXSPIVRFGG-BZNIZROVSA-N 1 1 379.913 4.181 20 0 GIADMO C[C@H](NC(=O)Nc1cc(F)ccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183516909 822488789 /nfs/dbraw/zinc/48/87/89/822488789.db2.gz SZTJWVFBIPJUCB-QWHCGFSZSA-N 1 1 398.320 4.363 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000454516775 822489218 /nfs/dbraw/zinc/48/92/18/822489218.db2.gz UHNJAEMRWFXUQC-UHFFFAOYSA-N 1 1 383.540 4.051 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1OCC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183522460 822489522 /nfs/dbraw/zinc/48/95/22/822489522.db2.gz OWBISOQLCOXMIO-GJZGRUSLSA-N 1 1 381.467 4.105 20 0 GIADMO Cc1c(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1F ZINC000183534671 822491282 /nfs/dbraw/zinc/49/12/82/822491282.db2.gz SKZXMTUKWZAIQC-WBVHZDCISA-N 1 1 399.514 4.094 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)n1 ZINC000183533965 822491290 /nfs/dbraw/zinc/49/12/90/822491290.db2.gz HMGFGPHMFGAQGO-NVXWUHKLSA-N 1 1 375.925 4.341 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183540367 822492246 /nfs/dbraw/zinc/49/22/46/822492246.db2.gz BCWRDUHNYRZTCI-CHWSQXEVSA-N 1 1 391.466 4.275 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183540367 822492247 /nfs/dbraw/zinc/49/22/47/822492247.db2.gz BCWRDUHNYRZTCI-CHWSQXEVSA-N 1 1 391.466 4.275 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183540367 822492249 /nfs/dbraw/zinc/49/22/49/822492249.db2.gz BCWRDUHNYRZTCI-CHWSQXEVSA-N 1 1 391.466 4.275 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C2CC2)n1 ZINC000183545537 822492865 /nfs/dbraw/zinc/49/28/65/822492865.db2.gz CEHQVYWNSBBRJB-VBKZILBWSA-N 1 1 383.517 4.458 20 0 GIADMO Cc1c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cccc1C(F)(F)F ZINC000183554763 822494106 /nfs/dbraw/zinc/49/41/06/822494106.db2.gz ANPIPEQYTMBQGL-IBGZPJMESA-N 1 1 392.421 4.150 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000454544201 822494517 /nfs/dbraw/zinc/49/45/17/822494517.db2.gz HANVYDDHRYQUJK-GOSISDBHSA-N 1 1 378.879 4.215 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)co2)cc1 ZINC000179516490 822494826 /nfs/dbraw/zinc/49/48/26/822494826.db2.gz UAZIGHKMVDUPJC-QGZVFWFLSA-N 1 1 393.491 4.115 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)co2)cc1 ZINC000179516490 822494828 /nfs/dbraw/zinc/49/48/28/822494828.db2.gz UAZIGHKMVDUPJC-QGZVFWFLSA-N 1 1 393.491 4.115 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3C)CC2)[nH+]c1 ZINC000454548124 822495159 /nfs/dbraw/zinc/49/51/59/822495159.db2.gz KSLJZBDYOTYIFJ-OAQYLSRUSA-N 1 1 396.510 4.353 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC1(F)F ZINC000454552260 822495790 /nfs/dbraw/zinc/49/57/90/822495790.db2.gz PEHLXRLJGHKNDX-SFHVURJKSA-N 1 1 391.462 4.146 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC1(F)F ZINC000454552260 822495794 /nfs/dbraw/zinc/49/57/94/822495794.db2.gz PEHLXRLJGHKNDX-SFHVURJKSA-N 1 1 391.462 4.146 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179519510 822496002 /nfs/dbraw/zinc/49/60/02/822496002.db2.gz QSAYBDNTNYVLQI-SFHVURJKSA-N 1 1 382.508 4.017 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179519510 822496008 /nfs/dbraw/zinc/49/60/08/822496008.db2.gz QSAYBDNTNYVLQI-SFHVURJKSA-N 1 1 382.508 4.017 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179519510 822496012 /nfs/dbraw/zinc/49/60/12/822496012.db2.gz QSAYBDNTNYVLQI-SFHVURJKSA-N 1 1 382.508 4.017 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000454555469 822496100 /nfs/dbraw/zinc/49/61/00/822496100.db2.gz XUMJMASWGOHPOU-AOOOYVTPSA-N 1 1 394.235 4.024 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@H+](Cc1c(C)nn(-c3ccc(F)cc3)c1C)C2 ZINC000179531860 822498307 /nfs/dbraw/zinc/49/83/07/822498307.db2.gz JETGWYACBYYRQM-UHFFFAOYSA-N 1 1 392.478 4.145 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1c(C)nn(-c3ccc(F)cc3)c1C)C2 ZINC000179531860 822498310 /nfs/dbraw/zinc/49/83/10/822498310.db2.gz JETGWYACBYYRQM-UHFFFAOYSA-N 1 1 392.478 4.145 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000183602305 822499896 /nfs/dbraw/zinc/49/98/96/822499896.db2.gz RPOBUUABZZIQHM-UHFFFAOYSA-N 1 1 393.475 4.302 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)s1 ZINC000183602955 822499984 /nfs/dbraw/zinc/49/99/84/822499984.db2.gz AFLQNCQVHLOBCX-CQSZACIVSA-N 1 1 397.466 4.112 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)s1 ZINC000183602955 822499987 /nfs/dbraw/zinc/49/99/87/822499987.db2.gz AFLQNCQVHLOBCX-CQSZACIVSA-N 1 1 397.466 4.112 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1c(F)cccc1F ZINC000454597980 822503766 /nfs/dbraw/zinc/50/37/66/822503766.db2.gz CSPLYADWTZHBSZ-KKSFZXQISA-N 1 1 387.474 4.017 20 0 GIADMO Cc1cc(Br)cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000179570163 822505262 /nfs/dbraw/zinc/50/52/62/822505262.db2.gz ZEUJCUUGEWPEOI-UHFFFAOYSA-N 1 1 391.309 4.150 20 0 GIADMO Cc1cc(Br)cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000179570163 822505263 /nfs/dbraw/zinc/50/52/63/822505263.db2.gz ZEUJCUUGEWPEOI-UHFFFAOYSA-N 1 1 391.309 4.150 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCCC1(F)F ZINC000454610397 822505761 /nfs/dbraw/zinc/50/57/61/822505761.db2.gz JEAIQQIODFVAFH-NEWSRXKRSA-N 1 1 379.495 4.022 20 0 GIADMO COc1ccc(Cl)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454619397 822507509 /nfs/dbraw/zinc/50/75/09/822507509.db2.gz SPSSPWXSNUMQDT-MRXNPFEDSA-N 1 1 387.911 4.334 20 0 GIADMO Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c(Sc2ccccc2)c1 ZINC000183665611 822507891 /nfs/dbraw/zinc/50/78/91/822507891.db2.gz BEQYHDBUWFKIRE-IBGZPJMESA-N 1 1 398.572 4.113 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](CO)c2cccc(Br)c2)s1 ZINC000183666711 822508155 /nfs/dbraw/zinc/50/81/55/822508155.db2.gz PHYRBKFZAQSONL-LLVKDONJSA-N 1 1 395.244 4.056 20 0 GIADMO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000454623104 822508138 /nfs/dbraw/zinc/50/81/38/822508138.db2.gz CDAJAOPQTCAMCU-DEOSSOPVSA-N 1 1 392.547 4.273 20 0 GIADMO O=C(Cc1cccs1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046724047 822510032 /nfs/dbraw/zinc/51/00/32/822510032.db2.gz HVZZPUQBCDLPAZ-LJQANCHMSA-N 1 1 382.554 4.268 20 0 GIADMO O=C(Cc1cccs1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046724047 822510035 /nfs/dbraw/zinc/51/00/35/822510035.db2.gz HVZZPUQBCDLPAZ-LJQANCHMSA-N 1 1 382.554 4.268 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(OCc4ccccc4F)cc3)C2)C1 ZINC000454669180 822514854 /nfs/dbraw/zinc/51/48/54/822514854.db2.gz YFFBRBCXZFPKNV-HSZRJFAPSA-N 1 1 397.494 4.354 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(F)cc1F ZINC000179637018 822517391 /nfs/dbraw/zinc/51/73/91/822517391.db2.gz WRIUXGILWLENKS-MRXNPFEDSA-N 1 1 390.352 4.190 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC[N@H+]1C ZINC000179637827 822517406 /nfs/dbraw/zinc/51/74/06/822517406.db2.gz WSGUPOCUKAQKIU-IERDGZPVSA-N 1 1 379.504 4.235 20 0 GIADMO Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000454697926 822518933 /nfs/dbraw/zinc/51/89/33/822518933.db2.gz KDANYYWPQRWYNR-QGZVFWFLSA-N 1 1 387.911 4.301 20 0 GIADMO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000179663331 822522600 /nfs/dbraw/zinc/52/26/00/822522600.db2.gz GYXGMOCHTMSYCW-INIZCTEOSA-N 1 1 391.924 4.295 20 0 GIADMO CCC(CC)n1nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000179667190 822523457 /nfs/dbraw/zinc/52/34/57/822523457.db2.gz IUSDJBUFNQTXLO-IBGZPJMESA-N 1 1 382.552 4.289 20 0 GIADMO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)c1 ZINC000183760191 822523643 /nfs/dbraw/zinc/52/36/43/822523643.db2.gz UGOWSZQZDSKRHT-ZDUSSCGKSA-N 1 1 381.303 4.107 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)c1 ZINC000183762530 822524210 /nfs/dbraw/zinc/52/42/10/822524210.db2.gz CDUMJSOJRDQMOM-NSHDSACASA-N 1 1 380.275 4.241 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)cs1 ZINC000183763070 822524449 /nfs/dbraw/zinc/52/44/49/822524449.db2.gz FRZKOQSDWHXZBC-HOTGVXAUSA-N 1 1 377.598 4.106 20 0 GIADMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nn1-c1ccc(Cl)cc1Cl ZINC000179674324 822524568 /nfs/dbraw/zinc/52/45/68/822524568.db2.gz JGHKHNSPFQIFJD-IUODEOHRSA-N 1 1 395.334 4.042 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2nnc4ccccn42)CCC3)cc1 ZINC000183797490 822529313 /nfs/dbraw/zinc/52/93/13/822529313.db2.gz KWCYTTVXZSZPMA-INIZCTEOSA-N 1 1 375.501 4.328 20 0 GIADMO CCC[N@H+](CCc1cccs1)Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000183813436 822530741 /nfs/dbraw/zinc/53/07/41/822530741.db2.gz RZBDPNHKFOPAGF-UHFFFAOYSA-N 1 1 387.578 4.470 20 0 GIADMO CCC[N@@H+](CCc1cccs1)Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000183813436 822530745 /nfs/dbraw/zinc/53/07/45/822530745.db2.gz RZBDPNHKFOPAGF-UHFFFAOYSA-N 1 1 387.578 4.470 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC(C)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000454776992 822531890 /nfs/dbraw/zinc/53/18/90/822531890.db2.gz UGTIJKJXOHVNKG-IAGOWNOFSA-N 1 1 389.437 4.223 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCC(C)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000454776992 822531893 /nfs/dbraw/zinc/53/18/93/822531893.db2.gz UGTIJKJXOHVNKG-IAGOWNOFSA-N 1 1 389.437 4.223 20 0 GIADMO COc1ccc(CC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000046934205 822532433 /nfs/dbraw/zinc/53/24/33/822532433.db2.gz QMAKZGCBQUTMKX-KRWDZBQOSA-N 1 1 382.504 4.117 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454781135 822533004 /nfs/dbraw/zinc/53/30/04/822533004.db2.gz XUDQQAGMTTVPKZ-OFNKIYASSA-N 1 1 379.548 4.090 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046996364 822536537 /nfs/dbraw/zinc/53/65/37/822536537.db2.gz YZNRPIZHAAKXDE-JKSUJKDBSA-N 1 1 375.925 4.129 20 0 GIADMO C[C@H](c1ccc(NC(=O)Nc2ccccc2OCCF)cc1)[NH+]1CCOCC1 ZINC000454800931 822536602 /nfs/dbraw/zinc/53/66/02/822536602.db2.gz GMRCALXHHPUIOA-MRXNPFEDSA-N 1 1 387.455 4.072 20 0 GIADMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000454806787 822537847 /nfs/dbraw/zinc/53/78/47/822537847.db2.gz OIOIQZKERXBRKO-IBGZPJMESA-N 1 1 391.581 4.095 20 0 GIADMO Clc1cccc(-c2nnc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)o2)c1 ZINC000179733402 822538005 /nfs/dbraw/zinc/53/80/05/822538005.db2.gz DEIZBTYDHSISFX-HXUWFJFHSA-N 1 1 397.862 4.402 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(-c2cccs2)no1 ZINC000179738418 822539618 /nfs/dbraw/zinc/53/96/18/822539618.db2.gz IQSGZFGGPVPONK-KZULUSFZSA-N 1 1 383.473 4.371 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N(C)Cc2c(F)cccc2F)cc1)[NH+]1CCOCC1 ZINC000454820789 822540558 /nfs/dbraw/zinc/54/05/58/822540558.db2.gz WSCVYXSIMOEJGH-HNNXBMFYSA-N 1 1 389.446 4.022 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCC[C@H]1CF ZINC000454820068 822540590 /nfs/dbraw/zinc/54/05/90/822540590.db2.gz QGZJFDOONPDDBD-KRWDZBQOSA-N 1 1 388.314 4.101 20 0 GIADMO C[C@H](c1ccc(NC(=O)N(C)Cc2c(F)cccc2F)cc1)[NH+]1CCOCC1 ZINC000454820792 822540601 /nfs/dbraw/zinc/54/06/01/822540601.db2.gz WSCVYXSIMOEJGH-OAHLLOKOSA-N 1 1 389.446 4.022 20 0 GIADMO OC[C@@H]([NH2+]Cc1cc2ccccc2nc1Cl)c1cccc(Br)c1 ZINC000183893248 822541852 /nfs/dbraw/zinc/54/18/52/822541852.db2.gz PIPNYDGVFIPXHB-QGZVFWFLSA-N 1 1 391.696 4.474 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000179749716 822542463 /nfs/dbraw/zinc/54/24/63/822542463.db2.gz UFVVYZPHQHBLIL-SFHVURJKSA-N 1 1 396.531 4.266 20 0 GIADMO Cc1ccc(OCc2nc(C[N@@H+]3CCC[C@H](C4(C)OCCO4)C3)cs2)cc1 ZINC000183904986 822543775 /nfs/dbraw/zinc/54/37/75/822543775.db2.gz LIQQGCKALUXJJU-KRWDZBQOSA-N 1 1 388.533 4.006 20 0 GIADMO Cc1ccc(OCc2nc(C[N@H+]3CCC[C@H](C4(C)OCCO4)C3)cs2)cc1 ZINC000183904986 822543778 /nfs/dbraw/zinc/54/37/78/822543778.db2.gz LIQQGCKALUXJJU-KRWDZBQOSA-N 1 1 388.533 4.006 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2COc3ccccc3C2)c1 ZINC000047093926 822544171 /nfs/dbraw/zinc/54/41/71/822544171.db2.gz CTUBLIHRXAOFRG-FQEVSTJZSA-N 1 1 390.487 4.180 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000179758367 822544712 /nfs/dbraw/zinc/54/47/12/822544712.db2.gz FIZFNOJKGXCIAV-IBGZPJMESA-N 1 1 396.531 4.320 20 0 GIADMO Cc1ccc(F)c(NC(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000047127737 822546359 /nfs/dbraw/zinc/54/63/59/822546359.db2.gz KZPSGMDVOWAEPW-CALCHBBNSA-N 1 1 385.483 4.065 20 0 GIADMO Cc1ccc(F)c(NC(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000047127737 822546364 /nfs/dbraw/zinc/54/63/64/822546364.db2.gz KZPSGMDVOWAEPW-CALCHBBNSA-N 1 1 385.483 4.065 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CCc3nnc(-c4ccccc4)o3)c2C1 ZINC000179767033 822547994 /nfs/dbraw/zinc/54/79/94/822547994.db2.gz UQXIMJDRPQYFAE-UHFFFAOYSA-N 1 1 390.487 4.280 20 0 GIADMO Fc1cc(-c2ccncc2)ccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179776523 822550640 /nfs/dbraw/zinc/55/06/40/822550640.db2.gz DZEOFOULIWSSQY-HXUWFJFHSA-N 1 1 387.462 4.310 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC)c1cc(F)ccc1F ZINC000179785405 822552581 /nfs/dbraw/zinc/55/25/81/822552581.db2.gz BDIZDXCNVQGBTF-SJKOYZFVSA-N 1 1 378.419 4.050 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nccs1 ZINC000183955845 822553578 /nfs/dbraw/zinc/55/35/78/822553578.db2.gz GRTDOWLFFXPSLI-OAHLLOKOSA-N 1 1 377.529 4.145 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nccs1 ZINC000183955845 822553583 /nfs/dbraw/zinc/55/35/83/822553583.db2.gz GRTDOWLFFXPSLI-OAHLLOKOSA-N 1 1 377.529 4.145 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CSc1nc2ccccc2s1 ZINC000047213722 822554680 /nfs/dbraw/zinc/55/46/80/822554680.db2.gz JFRAOYGSPLFXEJ-HNNXBMFYSA-N 1 1 377.579 4.159 20 0 GIADMO CC(C)C[C@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)c1nc(-c2nc[nH]n2)no1 ZINC000179803848 822556172 /nfs/dbraw/zinc/55/61/72/822556172.db2.gz JQZLYGJDQVGHRM-FZMZJTMJSA-N 1 1 394.401 4.312 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC1CC(F)(F)C1 ZINC000454921788 822557269 /nfs/dbraw/zinc/55/72/69/822557269.db2.gz LODXGVBMZYPZQG-SFHVURJKSA-N 1 1 379.495 4.022 20 0 GIADMO O=C(C[NH2+][C@H](Cc1ccccc1)c1ccccc1F)Nc1cccnc1Cl ZINC000179812819 822558110 /nfs/dbraw/zinc/55/81/10/822558110.db2.gz QSMZEWZKOBVZAY-LJQANCHMSA-N 1 1 383.854 4.386 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3csc(-c4cccs4)n3)C2)n1 ZINC000047261141 822559643 /nfs/dbraw/zinc/55/96/43/822559643.db2.gz FBMABCCTBFSPJZ-OAHLLOKOSA-N 1 1 398.557 4.426 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3csc(-c4cccs4)n3)C2)n1 ZINC000047261141 822559645 /nfs/dbraw/zinc/55/96/45/822559645.db2.gz FBMABCCTBFSPJZ-OAHLLOKOSA-N 1 1 398.557 4.426 20 0 GIADMO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274008 822560983 /nfs/dbraw/zinc/56/09/83/822560983.db2.gz GKMVJWXEDJWDDN-HNNXBMFYSA-N 1 1 393.462 4.432 20 0 GIADMO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274008 822560985 /nfs/dbraw/zinc/56/09/85/822560985.db2.gz GKMVJWXEDJWDDN-HNNXBMFYSA-N 1 1 393.462 4.432 20 0 GIADMO CCCC[N@H+](C)c1ccc(N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000179831278 822562089 /nfs/dbraw/zinc/56/20/89/822562089.db2.gz NQNCYWIFIYZERD-INIZCTEOSA-N 1 1 375.538 4.004 20 0 GIADMO CCCC[N@@H+](C)c1ccc(N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000179831278 822562091 /nfs/dbraw/zinc/56/20/91/822562091.db2.gz NQNCYWIFIYZERD-INIZCTEOSA-N 1 1 375.538 4.004 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000047289994 822562617 /nfs/dbraw/zinc/56/26/17/822562617.db2.gz ADOHQSNWENTDSU-OALUTQOASA-N 1 1 393.531 4.148 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000184015611 822564465 /nfs/dbraw/zinc/56/44/65/822564465.db2.gz BBNAHONKHNCBSL-LBPRGKRZSA-N 1 1 386.348 4.144 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000184015611 822564470 /nfs/dbraw/zinc/56/44/70/822564470.db2.gz BBNAHONKHNCBSL-LBPRGKRZSA-N 1 1 386.348 4.144 20 0 GIADMO Cc1cc(CNC(=O)N[C@H](C)c2ccc(F)cc2Cl)cc(N2CCCC2)[nH+]1 ZINC000454968468 822564524 /nfs/dbraw/zinc/56/45/24/822564524.db2.gz HPZLRBBFESLKBC-CQSZACIVSA-N 1 1 390.890 4.343 20 0 GIADMO O=C(NC[C@H]1CCCC1(F)F)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000454991253 822566973 /nfs/dbraw/zinc/56/69/73/822566973.db2.gz ZNQWURSHQYHVNX-RTBURBONSA-N 1 1 379.495 4.023 20 0 GIADMO COc1ccccc1CSc1ccccc1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454998867 822568075 /nfs/dbraw/zinc/56/80/75/822568075.db2.gz LAZHVLLURBPGSP-QFBILLFUSA-N 1 1 397.544 4.155 20 0 GIADMO C[C@@H](c1ccc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(F)(F)F ZINC000455005390 822569051 /nfs/dbraw/zinc/56/90/51/822569051.db2.gz GJKNXUPRQFVWMM-RCJHGTSTSA-N 1 1 398.469 4.066 20 0 GIADMO C[C@@H](c1ccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(F)(F)F ZINC000455005390 822569053 /nfs/dbraw/zinc/56/90/53/822569053.db2.gz GJKNXUPRQFVWMM-RCJHGTSTSA-N 1 1 398.469 4.066 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000047380661 822572946 /nfs/dbraw/zinc/57/29/46/822572946.db2.gz LVZJUVLWKHETOG-UHFFFAOYSA-N 1 1 389.912 4.104 20 0 GIADMO Cc1nc([C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)no1 ZINC000179895556 822573003 /nfs/dbraw/zinc/57/30/03/822573003.db2.gz JVSNBJZTSMJVJU-LEWJYISDSA-N 1 1 396.922 4.375 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000047397332 822575105 /nfs/dbraw/zinc/57/51/05/822575105.db2.gz NVIRTDLOTNDQPD-UHFFFAOYSA-N 1 1 375.432 4.212 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)ccc2OC2CCCC2)CC1)C1CC1 ZINC000179914618 822576016 /nfs/dbraw/zinc/57/60/16/822576016.db2.gz HRGNNQFZJOSAFF-UHFFFAOYSA-N 1 1 376.928 4.152 20 0 GIADMO CCC[N@@H+](C)[C@H](CNC(=O)NCc1cnc(C2CC2)o1)c1ccc(Cl)cc1 ZINC000455049551 822580505 /nfs/dbraw/zinc/58/05/05/822580505.db2.gz QZHQYRUKIAKTGK-GOSISDBHSA-N 1 1 390.915 4.088 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184119229 822581261 /nfs/dbraw/zinc/58/12/61/822581261.db2.gz IECRLNUOYQOVPL-ICSRJNTNSA-N 1 1 389.902 4.147 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184119229 822581265 /nfs/dbraw/zinc/58/12/65/822581265.db2.gz IECRLNUOYQOVPL-ICSRJNTNSA-N 1 1 389.902 4.147 20 0 GIADMO CCCN(CCc1cccs1)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000184122566 822582213 /nfs/dbraw/zinc/58/22/13/822582213.db2.gz DDMLMFPMBIFRTQ-UHFFFAOYSA-N 1 1 386.565 4.085 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccc(-n2ncc3ccccc32)cc1)C1CC1 ZINC000455068740 822584203 /nfs/dbraw/zinc/58/42/03/822584203.db2.gz RFQCQBVWXOHXSZ-UHFFFAOYSA-N 1 1 377.492 4.021 20 0 GIADMO Cc1cc(C)nc(SCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000047522224 822586843 /nfs/dbraw/zinc/58/68/43/822586843.db2.gz GKRWHCFZLTUAPG-QGZVFWFLSA-N 1 1 384.549 4.199 20 0 GIADMO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000184170725 822590113 /nfs/dbraw/zinc/59/01/13/822590113.db2.gz NUFOQHPHEDPEQM-QFBILLFUSA-N 1 1 387.549 4.255 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC[N@H+](C2CCC2)C1 ZINC000455117178 822591262 /nfs/dbraw/zinc/59/12/62/822591262.db2.gz ZKQWFMPCKWPEKM-AWEZNQCLSA-N 1 1 395.494 4.480 20 0 GIADMO Cc1ccc(NC(=S)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000047567400 822591387 /nfs/dbraw/zinc/59/13/87/822591387.db2.gz UHYSPULTCTZFLV-KDURUIRLSA-N 1 1 397.588 4.399 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C[C@](O)(c3ccc(C)o3)C(F)(F)F)c2C1 ZINC000180006787 822594772 /nfs/dbraw/zinc/59/47/72/822594772.db2.gz QMHZRASNCGCYHG-IBGZPJMESA-N 1 1 396.409 4.092 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C[C@](O)(c3ccc(C)o3)C(F)(F)F)c2C1 ZINC000180006787 822594775 /nfs/dbraw/zinc/59/47/75/822594775.db2.gz QMHZRASNCGCYHG-IBGZPJMESA-N 1 1 396.409 4.092 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)ccc1OCC(C)C ZINC000047609276 822596463 /nfs/dbraw/zinc/59/64/63/822596463.db2.gz JCVVECZPYJHWOF-UZUQRXQVSA-N 1 1 396.531 4.401 20 0 GIADMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc4cc(F)ccc4n3CC)ccc2NC1=O ZINC000180013531 822596613 /nfs/dbraw/zinc/59/66/13/822596613.db2.gz GMXJUMWWNDVVDT-YJYMSZOUSA-N 1 1 396.466 4.156 20 0 GIADMO Cc1cc(Br)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000455149770 822597368 /nfs/dbraw/zinc/59/73/68/822597368.db2.gz RZBHWGGAISGAGR-YOGCLGLASA-N 1 1 386.721 4.158 20 0 GIADMO O=C(NC[C@H]1CCCCC1(F)F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455159554 822599280 /nfs/dbraw/zinc/59/92/80/822599280.db2.gz FRAPQFPHNYYBMD-CTNGQTDRSA-N 1 1 391.506 4.120 20 0 GIADMO Cc1csc([C@H](C)[NH2+]CC(=O)N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000184243810 822601690 /nfs/dbraw/zinc/60/16/90/822601690.db2.gz PVLJJRLUTUKWOT-IBGZPJMESA-N 1 1 393.556 4.374 20 0 GIADMO Cc1cc2ccccc2n1CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047714992 822602749 /nfs/dbraw/zinc/60/27/49/822602749.db2.gz INDWPDJWNKLICQ-UHFFFAOYSA-N 1 1 397.469 4.009 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2c[nH]c3cccc(Br)c23)c2ccccc2C1 ZINC000180044890 822603518 /nfs/dbraw/zinc/60/35/18/822603518.db2.gz WHQCCIRDRCNYQD-UHFFFAOYSA-N 1 1 384.277 4.023 20 0 GIADMO C[N@H+]1CCN(C(=O)c2c[nH]c3cccc(Br)c23)c2ccccc2C1 ZINC000180044890 822603519 /nfs/dbraw/zinc/60/35/19/822603519.db2.gz WHQCCIRDRCNYQD-UHFFFAOYSA-N 1 1 384.277 4.023 20 0 GIADMO C[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1nccs1 ZINC000184262140 822605107 /nfs/dbraw/zinc/60/51/07/822605107.db2.gz NUDAIZQYHPYVHO-GOSISDBHSA-N 1 1 379.529 4.065 20 0 GIADMO Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184261972 822605130 /nfs/dbraw/zinc/60/51/30/822605130.db2.gz SXIGJRTZHCDAOZ-QGZVFWFLSA-N 1 1 392.613 4.033 20 0 GIADMO CN(C)C(=O)Cc1nc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)cs1 ZINC000180064346 822607295 /nfs/dbraw/zinc/60/72/95/822607295.db2.gz AIZPHKGTZKWLNT-SFHVURJKSA-N 1 1 397.466 4.034 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000047772200 822608219 /nfs/dbraw/zinc/60/82/19/822608219.db2.gz TXRXRDLDCKGUEU-UHFFFAOYSA-N 1 1 388.874 4.445 20 0 GIADMO CCC[N@@H+](Cc1ccc(O)c(OC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000180067908 822608297 /nfs/dbraw/zinc/60/82/97/822608297.db2.gz QXNVJHVADLSVOR-UHFFFAOYSA-N 1 1 378.513 4.012 20 0 GIADMO C[NH+](C)CCOc1ccccc1CN[C@H]1CCc2c1cccc2Br ZINC000180072610 822609676 /nfs/dbraw/zinc/60/96/76/822609676.db2.gz NGKAAJWUXNSRNG-IBGZPJMESA-N 1 1 389.337 4.167 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000180072461 822609730 /nfs/dbraw/zinc/60/97/30/822609730.db2.gz OFDNZQXHKXAVQS-JTSKRJEESA-N 1 1 395.938 4.302 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@H](C)c2nccs2)cs1)c1ccc(F)cc1 ZINC000184292437 822609812 /nfs/dbraw/zinc/60/98/12/822609812.db2.gz VXDMIELCTBFUCC-LBPRGKRZSA-N 1 1 390.509 4.317 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)n2C)ccc1OCC(C)C ZINC000180087018 822612497 /nfs/dbraw/zinc/61/24/97/822612497.db2.gz CFLYZBVJBMOIBG-KRWDZBQOSA-N 1 1 394.519 4.376 20 0 GIADMO O=C(CCc1ccc2[nH]ccc2c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180108935 822617013 /nfs/dbraw/zinc/61/70/13/822617013.db2.gz KZCUBDCOQVKXLA-SFHVURJKSA-N 1 1 381.545 4.190 20 0 GIADMO CCC(CC)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000180110351 822617465 /nfs/dbraw/zinc/61/74/65/822617465.db2.gz RCCUIYQMDXONPN-CWAQXLGLSA-N 1 1 397.607 4.199 20 0 GIADMO Fc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2ccccc2Cl)cc1 ZINC000180122115 822619737 /nfs/dbraw/zinc/61/97/37/822619737.db2.gz IFHYQTYHYJGGBW-HXUWFJFHSA-N 1 1 393.853 4.334 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000047924753 822620075 /nfs/dbraw/zinc/62/00/75/822620075.db2.gz QTYWSKMVBUPQAQ-OAHLLOKOSA-N 1 1 375.463 4.365 20 0 GIADMO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1N(C)C ZINC000180134488 822623190 /nfs/dbraw/zinc/62/31/90/822623190.db2.gz BSOFRSMFCOTIFE-QGZVFWFLSA-N 1 1 386.565 4.156 20 0 GIADMO Cc1c(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1N(C)C ZINC000180143061 822625337 /nfs/dbraw/zinc/62/53/37/822625337.db2.gz VBWQTOSLRRUYNF-FQEVSTJZSA-N 1 1 380.536 4.189 20 0 GIADMO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cccc1N(C)C ZINC000180144729 822625956 /nfs/dbraw/zinc/62/59/56/822625956.db2.gz JINYAEABAAUHLN-UZLBHIALSA-N 1 1 386.565 4.327 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](CC)c2nc(C)cs2)cc1 ZINC000184397135 822628014 /nfs/dbraw/zinc/62/80/14/822628014.db2.gz CBBQFPIKFHXIPT-OALUTQOASA-N 1 1 387.549 4.255 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000184412780 822630414 /nfs/dbraw/zinc/63/04/14/822630414.db2.gz MYEKULUDMGUDSX-BVSLBCMMSA-N 1 1 387.568 4.030 20 0 GIADMO Cc1c(Br)ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1F ZINC000455301097 822631045 /nfs/dbraw/zinc/63/10/45/822631045.db2.gz KXFMRVQNTUUHAB-LBPRGKRZSA-N 1 1 398.320 4.235 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)N(C)CC3)CC1 ZINC000180197302 822637495 /nfs/dbraw/zinc/63/74/95/822637495.db2.gz DQJCBXNPJNEUJB-GOSISDBHSA-N 1 1 384.568 4.187 20 0 GIADMO C[C@@H](CN1CCCC1=O)[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000180203507 822638777 /nfs/dbraw/zinc/63/87/77/822638777.db2.gz TWZKBRBWTMWGMK-MGPUTAFESA-N 1 1 387.321 4.139 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000184465498 822640855 /nfs/dbraw/zinc/64/08/55/822640855.db2.gz IDUBAYXMPYOZNZ-FQEVSTJZSA-N 1 1 382.504 4.214 20 0 GIADMO CC(C)(CNC(=O)c1sccc1Br)[N@H+]1CCc2ccccc2C1 ZINC000048178840 822642490 /nfs/dbraw/zinc/64/24/90/822642490.db2.gz QKKASCWVJNQJCV-UHFFFAOYSA-N 1 1 393.350 4.077 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000455405167 822647672 /nfs/dbraw/zinc/64/76/72/822647672.db2.gz GRYIKRHUMIZFLF-NEWSRXKRSA-N 1 1 379.495 4.022 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000184519948 822649760 /nfs/dbraw/zinc/64/97/60/822649760.db2.gz SUVQELAEZKHNEJ-CQSZACIVSA-N 1 1 394.500 4.058 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)N(C)CC3)cc1 ZINC000180262083 822650259 /nfs/dbraw/zinc/65/02/59/822650259.db2.gz NGUIISYPAKEFFB-HNNXBMFYSA-N 1 1 375.476 4.056 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)Cc1ccccn1 ZINC000048272963 822650644 /nfs/dbraw/zinc/65/06/44/822650644.db2.gz XQURPZQLZCGRSD-AWEZNQCLSA-N 1 1 380.319 4.476 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)Cc1ccccn1 ZINC000048272963 822650649 /nfs/dbraw/zinc/65/06/49/822650649.db2.gz XQURPZQLZCGRSD-AWEZNQCLSA-N 1 1 380.319 4.476 20 0 GIADMO Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184523538 822650691 /nfs/dbraw/zinc/65/06/91/822650691.db2.gz DOSNDQFYLHKHJX-KRWDZBQOSA-N 1 1 379.529 4.128 20 0 GIADMO Cn1cc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c(C(C)(C)C)n1 ZINC000180270359 822651767 /nfs/dbraw/zinc/65/17/67/822651767.db2.gz AXQOFVUMBPCJOO-UHFFFAOYSA-N 1 1 393.453 4.230 20 0 GIADMO Cc1nc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)sc1Cc1ccc(F)cc1 ZINC000455448247 822655984 /nfs/dbraw/zinc/65/59/84/822655984.db2.gz OAKHTPRIPSBRHK-DYVFJYSZSA-N 1 1 390.528 4.128 20 0 GIADMO CCOc1ccc(CCC2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000455450960 822656788 /nfs/dbraw/zinc/65/67/88/822656788.db2.gz ZAZBLFGJYSCVTD-FRIKZZABSA-N 1 1 399.579 4.065 20 0 GIADMO C[C@H](Oc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)C(F)(F)F ZINC000455451722 822656984 /nfs/dbraw/zinc/65/69/84/822656984.db2.gz UGJDVSZTVKLTBV-CABCVRRESA-N 1 1 399.457 4.354 20 0 GIADMO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455483337 822663139 /nfs/dbraw/zinc/66/31/39/822663139.db2.gz XLMRIRXNRRRLKO-KGLIBXPVSA-N 1 1 395.469 4.423 20 0 GIADMO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455483514 822663168 /nfs/dbraw/zinc/66/31/68/822663168.db2.gz YEHXFBQEGDKJFV-PRTUASRFSA-N 1 1 382.335 4.247 20 0 GIADMO Cn1cc([C@@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337145 822665790 /nfs/dbraw/zinc/66/57/90/822665790.db2.gz UQUJPOOZYPENKE-VGSWGCGISA-N 1 1 398.551 4.212 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(-c2ncco2)c1C)[NH+](C)C ZINC000455506417 822668085 /nfs/dbraw/zinc/66/80/85/822668085.db2.gz LTALICFBTGZGBZ-LJQANCHMSA-N 1 1 394.475 4.083 20 0 GIADMO Cc1c(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cccc1-c1ncco1 ZINC000455526046 822670685 /nfs/dbraw/zinc/67/06/85/822670685.db2.gz JLUIVVODXYLVSQ-UHFFFAOYSA-N 1 1 382.464 4.229 20 0 GIADMO C[C@@H](c1nccs1)N1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000184666166 822672906 /nfs/dbraw/zinc/67/29/06/822672906.db2.gz RHYIQPINXBVBNU-KRWDZBQOSA-N 1 1 394.544 4.004 20 0 GIADMO CN(C)C(=O)Cc1nc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)cs1 ZINC000180383295 822673341 /nfs/dbraw/zinc/67/33/41/822673341.db2.gz YMMLEZLXFLLZSH-OAQYLSRUSA-N 1 1 393.556 4.238 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000184672113 822673815 /nfs/dbraw/zinc/67/38/15/822673815.db2.gz XBQMATSWGULTAL-UWJYYQICSA-N 1 1 396.560 4.245 20 0 GIADMO Cc1cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nn1-c1ccc(F)cc1 ZINC000180409569 822676914 /nfs/dbraw/zinc/67/69/14/822676914.db2.gz QNQZBCDLONFBGB-PKOBYXMFSA-N 1 1 398.526 4.046 20 0 GIADMO Cc1ccc(CN(Cc2ccco2)C(=O)NCCCC[N@H+](C)C2CC2)s1 ZINC000455600460 822681943 /nfs/dbraw/zinc/68/19/43/822681943.db2.gz BMODDSWLSMKQHE-UHFFFAOYSA-N 1 1 375.538 4.236 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC[C@H](COc2ccccc2Cl)C1)C1CC1 ZINC000455603589 822682774 /nfs/dbraw/zinc/68/27/74/822682774.db2.gz FXMNWNYNKQKAAY-KRWDZBQOSA-N 1 1 393.959 4.015 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H](c1ccccc1)C(F)F ZINC000455603248 822682780 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COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3cn4cccnc4n3)s2)cc1 ZINC000184793217 822691711 /nfs/dbraw/zinc/69/17/11/822691711.db2.gz NZDWNOJUEGSKJG-ZDUSSCGKSA-N 1 1 379.489 4.021 20 0 GIADMO COCCSc1ccc([C@@H](C)NC(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1 ZINC000455662746 822694284 /nfs/dbraw/zinc/69/42/84/822694284.db2.gz PVRIJHSJAUYMFE-OAHLLOKOSA-N 1 1 384.505 4.264 20 0 GIADMO COC(=O)c1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c(F)c1 ZINC000180520139 822695472 /nfs/dbraw/zinc/69/54/72/822695472.db2.gz KCXXIJQXUQZLAY-UHFFFAOYSA-N 1 1 378.241 4.154 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(F)c(Br)cc1C ZINC000184824750 822695880 /nfs/dbraw/zinc/69/58/80/822695880.db2.gz NHEURDXFVRBFML-UHFFFAOYSA-N 1 1 383.265 4.003 20 0 GIADMO C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000455672367 822696790 /nfs/dbraw/zinc/69/67/90/822696790.db2.gz MJOZVNJDBROFHY-SIKLNZKXSA-N 1 1 393.531 4.319 20 0 GIADMO O=C(Nc1ccc(C2CCC2)cn1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455672820 822697053 /nfs/dbraw/zinc/69/70/53/822697053.db2.gz FMOLKUKNWYQAKF-FCHUYYIVSA-N 1 1 390.531 4.335 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000184832132 822697092 /nfs/dbraw/zinc/69/70/92/822697092.db2.gz BUIDKSSGSHEDHX-HNNXBMFYSA-N 1 1 398.450 4.149 20 0 GIADMO Cc1csc([C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C(F)(F)F)n1 ZINC000455681672 822699537 /nfs/dbraw/zinc/69/95/37/822699537.db2.gz ADLJZPYSJNHEPI-AWEZNQCLSA-N 1 1 392.491 4.009 20 0 GIADMO C[C@H]1[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@H+]1Cc1ccccc1 ZINC000455686315 822701258 /nfs/dbraw/zinc/70/12/58/822701258.db2.gz OCSNQHATUWSBIR-SWLSCSKDSA-N 1 1 398.454 4.032 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180566538 822703538 /nfs/dbraw/zinc/70/35/38/822703538.db2.gz XVVBUZANGMSTII-QGZVFWFLSA-N 1 1 397.372 4.006 20 0 GIADMO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180568791 822704001 /nfs/dbraw/zinc/70/40/01/822704001.db2.gz VCNQIZZIWIVWHC-SFHVURJKSA-N 1 1 382.401 4.376 20 0 GIADMO FC(F)CN1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000180569967 822704224 /nfs/dbraw/zinc/70/42/24/822704224.db2.gz QHCVUUUTGDJCKZ-UHFFFAOYSA-N 1 1 380.401 4.137 20 0 GIADMO Cc1cc(C)n2c(C[N@@H+](Cc3ccccc3)C[C@@H](O)c3ccsc3)cnc2n1 ZINC000180583574 822706081 /nfs/dbraw/zinc/70/60/81/822706081.db2.gz SDSAXQPAEPCUCY-OAQYLSRUSA-N 1 1 392.528 4.143 20 0 GIADMO Cc1cc(C)n2c(C[N@H+](Cc3ccccc3)C[C@@H](O)c3ccsc3)cnc2n1 ZINC000180583574 822706085 /nfs/dbraw/zinc/70/60/85/822706085.db2.gz SDSAXQPAEPCUCY-OAQYLSRUSA-N 1 1 392.528 4.143 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cn(C)nc2C2CCCCC2)CC1 ZINC000455707153 822708741 /nfs/dbraw/zinc/70/87/41/822708741.db2.gz DJAQVVZENLFYKO-UHFFFAOYSA-N 1 1 389.588 4.444 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)c(Cl)nc21 ZINC000180601653 822709364 /nfs/dbraw/zinc/70/93/64/822709364.db2.gz QASXDZRWBBHHBF-IRXDYDNUSA-N 1 1 388.899 4.347 20 0 GIADMO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184906198 822711035 /nfs/dbraw/zinc/71/10/35/822711035.db2.gz CIJDYJUWCVWSNX-NVXWUHKLSA-N 1 1 386.879 4.394 20 0 GIADMO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180608256 822711391 /nfs/dbraw/zinc/71/13/91/822711391.db2.gz TWHAHHUZDSLIKI-AWEZNQCLSA-N 1 1 396.418 4.308 20 0 GIADMO O=C(Nc1ccccc1OCCF)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000455716143 822711497 /nfs/dbraw/zinc/71/14/97/822711497.db2.gz NDENHSYAXLGNNI-UHFFFAOYSA-N 1 1 399.510 4.207 20 0 GIADMO C[C@H]1CC[N@@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@@H]1n1ccnc1 ZINC000180610631 822711989 /nfs/dbraw/zinc/71/19/89/822711989.db2.gz HLWNJEHLMLJFIG-PXNSSMCTSA-N 1 1 396.535 4.264 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC000049943912 822712152 /nfs/dbraw/zinc/71/21/52/822712152.db2.gz LTYOIHZSQUSWHX-INIZCTEOSA-N 1 1 394.899 4.153 20 0 GIADMO COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180621531 822714284 /nfs/dbraw/zinc/71/42/84/822714284.db2.gz HVGRFXGYCKBOFT-HNNXBMFYSA-N 1 1 398.532 4.240 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1OCCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455727315 822715042 /nfs/dbraw/zinc/71/50/42/822715042.db2.gz WIFXEUMJFWFBSO-IEBWSBKVSA-N 1 1 385.483 4.067 20 0 GIADMO O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000050028804 822715080 /nfs/dbraw/zinc/71/50/80/822715080.db2.gz AJUZQTOOHAATAC-QHCPKHFHSA-N 1 1 390.527 4.020 20 0 GIADMO Cc1sc([C@H](C)[NH2+]CC(=O)NC2CCCC2)nc1-c1ccc(Cl)cc1 ZINC000184946448 822716791 /nfs/dbraw/zinc/71/67/91/822716791.db2.gz FFHQMFCUISFGRK-LBPRGKRZSA-N 1 1 377.941 4.481 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000050082818 822717918 /nfs/dbraw/zinc/71/79/18/822717918.db2.gz RTVHZNDFNCCIPA-UHFFFAOYSA-N 1 1 382.439 4.121 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccccc2OCCF)CC[N@@H+](Cc2ccccc2)C1 ZINC000455742822 822718115 /nfs/dbraw/zinc/71/81/15/822718115.db2.gz ZUDBGCVFLAYOHN-GOSISDBHSA-N 1 1 385.483 4.021 20 0 GIADMO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1F ZINC000050137262 822720034 /nfs/dbraw/zinc/72/00/34/822720034.db2.gz GQXAIDHNTRBCOR-GJZGRUSLSA-N 1 1 393.503 4.299 20 0 GIADMO CSc1cccc(C)c1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000184975897 822720610 /nfs/dbraw/zinc/72/06/10/822720610.db2.gz NWFUSWOEBCSYPE-AWEZNQCLSA-N 1 1 375.563 4.347 20 0 GIADMO CSc1cccc(C)c1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000184975897 822720611 /nfs/dbraw/zinc/72/06/11/822720611.db2.gz NWFUSWOEBCSYPE-AWEZNQCLSA-N 1 1 375.563 4.347 20 0 GIADMO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1cccs1)c1nnnn1-c1ccccc1 ZINC000184980718 822721290 /nfs/dbraw/zinc/72/12/90/822721290.db2.gz VMYMULPPPQLCGP-VQIMIIECSA-N 1 1 375.501 4.358 20 0 GIADMO CCCn1ncc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455761645 822721582 /nfs/dbraw/zinc/72/15/82/822721582.db2.gz YIYBFOOOCPSBCF-NRFANRHFSA-N 1 1 395.551 4.203 20 0 GIADMO C[C@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000455765645 822722462 /nfs/dbraw/zinc/72/24/62/822722462.db2.gz RODKCAFHGYYAGY-HOTGVXAUSA-N 1 1 398.469 4.116 20 0 GIADMO Cc1nc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(-c2ccccc2)o1 ZINC000185011150 822725039 /nfs/dbraw/zinc/72/50/39/822725039.db2.gz DPRJLKZYXWDOOM-SFHVURJKSA-N 1 1 389.499 4.387 20 0 GIADMO C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185087911 822735120 /nfs/dbraw/zinc/73/51/20/822735120.db2.gz WHKVAULZIRVRAG-LBPRGKRZSA-N 1 1 388.830 4.209 20 0 GIADMO CC(C)c1ncsc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000455844568 822735844 /nfs/dbraw/zinc/73/58/44/822735844.db2.gz LACFRVBIMJGBLK-IYBDPMFKSA-N 1 1 394.585 4.010 20 0 GIADMO Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000050806531 822739288 /nfs/dbraw/zinc/73/92/88/822739288.db2.gz PUCJMJBCIHWPIK-JOCHJYFZSA-N 1 1 395.572 4.151 20 0 GIADMO CCCN(CCc1cccs1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185129473 822740616 /nfs/dbraw/zinc/74/06/16/822740616.db2.gz PGKOHWDHLQXCDF-ZWKOTPCHSA-N 1 1 377.598 4.365 20 0 GIADMO Cc1nc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)sc1Cc1cccc(F)c1 ZINC000455899610 822744848 /nfs/dbraw/zinc/74/48/48/822744848.db2.gz SWKRPVGVWQJYQY-DYVFJYSZSA-N 1 1 390.528 4.128 20 0 GIADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000051049246 822744941 /nfs/dbraw/zinc/74/49/41/822744941.db2.gz DWEVDEHKYBFBRM-UGKGYDQZSA-N 1 1 395.547 4.177 20 0 GIADMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3Br)CC2)s1 ZINC000051099050 822746513 /nfs/dbraw/zinc/74/65/13/822746513.db2.gz ISDBRPNYZNWXGS-UHFFFAOYSA-N 1 1 393.350 4.213 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185184871 822746617 /nfs/dbraw/zinc/74/66/17/822746617.db2.gz JKBCAZPEKMWZDC-INIZCTEOSA-N 1 1 377.441 4.133 20 0 GIADMO Cc1ccc(CN(C(=O)C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)C2CC2)o1 ZINC000051132181 822747053 /nfs/dbraw/zinc/74/70/53/822747053.db2.gz IMKKVYIVBSNPOC-HYBUGGRVSA-N 1 1 396.531 4.179 20 0 GIADMO CCN(C(C)=O)c1nc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cs1 ZINC000051132949 822747353 /nfs/dbraw/zinc/74/73/53/822747353.db2.gz GHESQGQZJHYPHN-AZUAARDMSA-N 1 1 387.549 4.116 20 0 GIADMO CCN(C(C)=O)c1nc(C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cs1 ZINC000051132949 822747356 /nfs/dbraw/zinc/74/73/56/822747356.db2.gz GHESQGQZJHYPHN-AZUAARDMSA-N 1 1 387.549 4.116 20 0 GIADMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133093 822747484 /nfs/dbraw/zinc/74/74/84/822747484.db2.gz LGVWORAKPZCUNQ-ZJSXRUAMSA-N 1 1 398.522 4.274 20 0 GIADMO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)N2CCCC2)o1 ZINC000455919612 822749429 /nfs/dbraw/zinc/74/94/29/822749429.db2.gz LIAFBLXUWIVDHP-SFTDATJTSA-N 1 1 396.535 4.096 20 0 GIADMO CC(C)[C@H]1C[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185224368 822751435 /nfs/dbraw/zinc/75/14/35/822751435.db2.gz OYTWVGOGZNKHHO-MOPGFXCFSA-N 1 1 382.470 4.420 20 0 GIADMO CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455937373 822753320 /nfs/dbraw/zinc/75/33/20/822753320.db2.gz SIHJFEGFINVWJR-UXHICEINSA-N 1 1 384.524 4.033 20 0 GIADMO COc1ccc(C[C@H](C)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1F ZINC000185254856 822755135 /nfs/dbraw/zinc/75/51/35/822755135.db2.gz ZQXATVHJXXFXHK-INIZCTEOSA-N 1 1 398.478 4.028 20 0 GIADMO CC(C)CCc1ccc(NC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc1 ZINC000455959682 822757491 /nfs/dbraw/zinc/75/74/91/822757491.db2.gz LRZVVFYGYAVBCF-OAQYLSRUSA-N 1 1 395.551 4.051 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CC[C@H]21 ZINC000455967909 822758719 /nfs/dbraw/zinc/75/87/19/822758719.db2.gz IQZOADGNUWGKHI-IAQYHMDHSA-N 1 1 386.721 4.051 20 0 GIADMO Cc1ncc(C[N@@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)s1 ZINC000051408097 822758973 /nfs/dbraw/zinc/75/89/73/822758973.db2.gz JMPFIQKHDWOCOV-OFNKIYASSA-N 1 1 396.556 4.359 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)[C@H](C)Sc3ccccc3Cl)sc2C1 ZINC000051475152 822761400 /nfs/dbraw/zinc/76/14/00/822761400.db2.gz OMSDSGAUPMISFC-NSHDSACASA-N 1 1 381.954 4.294 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)[C@H](C)Sc3ccccc3Cl)sc2C1 ZINC000051475152 822761403 /nfs/dbraw/zinc/76/14/03/822761403.db2.gz OMSDSGAUPMISFC-NSHDSACASA-N 1 1 381.954 4.294 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2F)C2CC2)s1 ZINC000185323172 822765798 /nfs/dbraw/zinc/76/57/98/822765798.db2.gz AOOGGGWWUANPDS-OAHLLOKOSA-N 1 1 398.301 4.033 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)s1 ZINC000185334140 822767651 /nfs/dbraw/zinc/76/76/51/822767651.db2.gz YJTUSJDHDMUBBH-NVXWUHKLSA-N 1 1 375.925 4.341 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C2CC2)s1 ZINC000185345983 822768932 /nfs/dbraw/zinc/76/89/32/822768932.db2.gz RPRMVNOJVYRVQM-IRXDYDNUSA-N 1 1 377.579 4.457 20 0 GIADMO COc1ccc([C@H](NC(=O)C[NH2+][C@H](c2ncc(C)s2)C2CC2)C(C)C)cc1 ZINC000185351637 822769710 /nfs/dbraw/zinc/76/97/10/822769710.db2.gz RALCCLNGCWERQI-UXHICEINSA-N 1 1 387.549 4.014 20 0 GIADMO CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1 ZINC000185352173 822769813 /nfs/dbraw/zinc/76/98/13/822769813.db2.gz JMJZMEYFKUACMW-CQSZACIVSA-N 1 1 377.326 4.457 20 0 GIADMO CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])c1 ZINC000185352173 822769815 /nfs/dbraw/zinc/76/98/15/822769815.db2.gz JMJZMEYFKUACMW-CQSZACIVSA-N 1 1 377.326 4.457 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(Br)cc2)C2CC2)s1 ZINC000185359376 822771041 /nfs/dbraw/zinc/77/10/41/822771041.db2.gz VIQYNACLAPSSNR-ABAIWWIYSA-N 1 1 394.338 4.282 20 0 GIADMO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185360448 822771525 /nfs/dbraw/zinc/77/15/25/822771525.db2.gz PYGXOQFLXSLQCI-SJCJKPOMSA-N 1 1 397.500 4.468 20 0 GIADMO C[C@H]1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000174328296 822771683 /nfs/dbraw/zinc/77/16/83/822771683.db2.gz OZHRCHPOUXMUFD-AWEZNQCLSA-N 1 1 377.410 4.232 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C2CC2)s1 ZINC000185369317 822773186 /nfs/dbraw/zinc/77/31/86/822773186.db2.gz DAISQYISXWUNDV-CVEARBPZSA-N 1 1 395.450 4.317 20 0 GIADMO C[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000051684628 822773707 /nfs/dbraw/zinc/77/37/07/822773707.db2.gz LGAYFMACYBKGQJ-XMMPIXPASA-N 1 1 392.543 4.204 20 0 GIADMO Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)c2)o1 ZINC000174388624 822782159 /nfs/dbraw/zinc/78/21/59/822782159.db2.gz VPCHENDDVSUHIP-GOSISDBHSA-N 1 1 394.450 4.035 20 0 GIADMO Cn1cccc1[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000174395533 822783587 /nfs/dbraw/zinc/78/35/87/822783587.db2.gz IGTCFVYCBGZZOV-DENIHFKCSA-N 1 1 383.511 4.130 20 0 GIADMO COc1ccc(-c2cnc(CN3CC[NH+]([C@@H](C)c4ccsc4)CC3)o2)cc1 ZINC000185442993 822784572 /nfs/dbraw/zinc/78/45/72/822784572.db2.gz JUJFSWGRIGLJMZ-INIZCTEOSA-N 1 1 383.517 4.291 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000185444193 822784608 /nfs/dbraw/zinc/78/46/08/822784608.db2.gz SLBOPFZAHXRYTJ-CYBMUJFWSA-N 1 1 398.359 4.372 20 0 GIADMO CN(Cc1nc2ccccc2n1C(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174399869 822784672 /nfs/dbraw/zinc/78/46/72/822784672.db2.gz GRBXAPPMLQKQRY-GOSISDBHSA-N 1 1 384.474 4.385 20 0 GIADMO Fc1ccc(Br)c(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c1 ZINC000174407036 822786141 /nfs/dbraw/zinc/78/61/41/822786141.db2.gz AFKMCWSNXQRBPD-UHFFFAOYSA-N 1 1 388.240 4.460 20 0 GIADMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])[C@H](C)C1 ZINC000185461476 822787251 /nfs/dbraw/zinc/78/72/51/822787251.db2.gz NWWNLNDRRSOGIL-KEYYUXOJSA-N 1 1 389.367 4.487 20 0 GIADMO C[C@H](c1nc(Cc2ccccc2)no1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185465076 822787478 /nfs/dbraw/zinc/78/74/78/822787478.db2.gz CMKQXAXZXGMIAX-DLBZAZTESA-N 1 1 382.533 4.162 20 0 GIADMO C[C@@H](c1nc(Cc2ccccc2)no1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185465039 822787505 /nfs/dbraw/zinc/78/75/05/822787505.db2.gz CMKQXAXZXGMIAX-IRXDYDNUSA-N 1 1 382.533 4.162 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(O)(c4ccccc4)CC3)o2)cc1C ZINC000185471091 822787995 /nfs/dbraw/zinc/78/79/95/822787995.db2.gz VNCQQUDXTJCIFE-SFHVURJKSA-N 1 1 377.488 4.398 20 0 GIADMO CC(C)n1ncc2cc(CN3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)cnc21 ZINC000174432099 822789355 /nfs/dbraw/zinc/78/93/55/822789355.db2.gz KXYZJXIYCYRQPL-IBGZPJMESA-N 1 1 377.536 4.109 20 0 GIADMO CCc1cccc(CC)c1NC(=O)CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185485819 822789565 /nfs/dbraw/zinc/78/95/65/822789565.db2.gz PZZUPGIOEPZIJZ-KRWDZBQOSA-N 1 1 385.577 4.190 20 0 GIADMO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1c(Cl)ccc2cccnc21 ZINC000052102452 822790276 /nfs/dbraw/zinc/79/02/76/822790276.db2.gz DPHDNYGDUNOGES-UHFFFAOYSA-N 1 1 381.907 4.357 20 0 GIADMO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1c(Cl)ccc2cccnc21 ZINC000052102452 822790279 /nfs/dbraw/zinc/79/02/79/822790279.db2.gz DPHDNYGDUNOGES-UHFFFAOYSA-N 1 1 381.907 4.357 20 0 GIADMO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2cccc(NC(C)=O)c2)o1 ZINC000174449109 822791133 /nfs/dbraw/zinc/79/11/33/822791133.db2.gz AFFZULHKELMJRD-FOIQADDNSA-N 1 1 383.492 4.212 20 0 GIADMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2cccc(NC(C)=O)c2)o1 ZINC000174449109 822791136 /nfs/dbraw/zinc/79/11/36/822791136.db2.gz AFFZULHKELMJRD-FOIQADDNSA-N 1 1 383.492 4.212 20 0 GIADMO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2cccc(NC(C)=O)c2)o1 ZINC000174449134 822791184 /nfs/dbraw/zinc/79/11/84/822791184.db2.gz AFFZULHKELMJRD-MGPUTAFESA-N 1 1 383.492 4.212 20 0 GIADMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2cccc(NC(C)=O)c2)o1 ZINC000174449134 822791186 /nfs/dbraw/zinc/79/11/86/822791186.db2.gz AFFZULHKELMJRD-MGPUTAFESA-N 1 1 383.492 4.212 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000174451858 822791610 /nfs/dbraw/zinc/79/16/10/822791610.db2.gz WMPZFLYESBALEZ-CRAIPNDOSA-N 1 1 377.941 4.284 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C)c1 ZINC000052212380 822793289 /nfs/dbraw/zinc/79/32/89/822793289.db2.gz QIBYHMABJWULAZ-JOCHJYFZSA-N 1 1 393.531 4.253 20 0 GIADMO CC(C)[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccccn1 ZINC000052218500 822793433 /nfs/dbraw/zinc/79/34/33/822793433.db2.gz QYKWGBLIQNJZMK-UHFFFAOYSA-N 1 1 394.288 4.222 20 0 GIADMO Clc1ccc([C@@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CCO2)cc1 ZINC000052248238 822794423 /nfs/dbraw/zinc/79/44/23/822794423.db2.gz CFBONTDGMQHSMG-INIZCTEOSA-N 1 1 389.908 4.458 20 0 GIADMO Clc1ccc([C@@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CCO2)cc1 ZINC000052248238 822794425 /nfs/dbraw/zinc/79/44/25/822794425.db2.gz CFBONTDGMQHSMG-INIZCTEOSA-N 1 1 389.908 4.458 20 0 GIADMO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NCCn1cc[nH+]c1C ZINC000052255947 822794435 /nfs/dbraw/zinc/79/44/35/822794435.db2.gz OWOXTHZJTMSYCH-UHFFFAOYSA-N 1 1 398.438 4.262 20 0 GIADMO Clc1ccc([C@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CCO2)cc1 ZINC000052248239 822794441 /nfs/dbraw/zinc/79/44/41/822794441.db2.gz CFBONTDGMQHSMG-MRXNPFEDSA-N 1 1 389.908 4.458 20 0 GIADMO Clc1ccc([C@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CCO2)cc1 ZINC000052248239 822794444 /nfs/dbraw/zinc/79/44/44/822794444.db2.gz CFBONTDGMQHSMG-MRXNPFEDSA-N 1 1 389.908 4.458 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000052294408 822795779 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GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000174719776 822828154 /nfs/dbraw/zinc/82/81/54/822828154.db2.gz PTKDDNVWHZNPMO-UHFFFAOYSA-N 1 1 382.489 4.094 20 0 GIADMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000185898094 822831085 /nfs/dbraw/zinc/83/10/85/822831085.db2.gz PEADCLIMBZYPNM-SNVBAGLBSA-N 1 1 399.130 4.382 20 0 GIADMO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000174744214 822831301 /nfs/dbraw/zinc/83/13/01/822831301.db2.gz DPCRUOBRSGTFLI-QWHCGFSZSA-N 1 1 392.491 4.033 20 0 GIADMO COc1ccc(NC(=O)NCCCCn2cc[nH+]c2C)cc1Cc1ccccc1 ZINC000174745046 822831477 /nfs/dbraw/zinc/83/14/77/822831477.db2.gz OHRHNEAPZRIMPZ-UHFFFAOYSA-N 1 1 392.503 4.393 20 0 GIADMO CC[C@@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000174762684 822833911 /nfs/dbraw/zinc/83/39/11/822833911.db2.gz JFCUZJKOXKAERV-IEBWSBKVSA-N 1 1 386.565 4.209 20 0 GIADMO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000185923385 822833991 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380.532 4.103 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2Sc2ccccc2)CC[N@H+]1C ZINC000174793746 822837750 /nfs/dbraw/zinc/83/77/50/822837750.db2.gz UQYZWIXYANBYNS-MJGOQNOKSA-N 1 1 383.561 4.462 20 0 GIADMO Cc1cc(C)c(NC(=S)NCC[N@@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000053527793 822839203 /nfs/dbraw/zinc/83/92/03/822839203.db2.gz PTTPJMHQICNNTP-UHFFFAOYSA-N 1 1 379.982 4.363 20 0 GIADMO Cc1cc(C)c(NC(=S)NCC[N@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000053527793 822839208 /nfs/dbraw/zinc/83/92/08/822839208.db2.gz PTTPJMHQICNNTP-UHFFFAOYSA-N 1 1 379.982 4.363 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185993424 822841830 /nfs/dbraw/zinc/84/18/30/822841830.db2.gz SBQMBXZZJLZPPR-GOSISDBHSA-N 1 1 389.503 4.205 20 0 GIADMO C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCCc2ccccc21 ZINC000053603747 822842273 /nfs/dbraw/zinc/84/22/73/822842273.db2.gz ATJILAOJRILYFD-HXUWFJFHSA-N 1 1 377.513 4.418 20 0 GIADMO C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H]1CCCc2ccccc21 ZINC000053603747 822842275 /nfs/dbraw/zinc/84/22/75/822842275.db2.gz ATJILAOJRILYFD-HXUWFJFHSA-N 1 1 377.513 4.418 20 0 GIADMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc(N3CCC(C)CC3)c1)CC2 ZINC000174824863 822842401 /nfs/dbraw/zinc/84/24/01/822842401.db2.gz WDFZSWGFCKRNRC-IRLDBZIGSA-N 1 1 384.568 4.402 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)cs2)cc1 ZINC000053606465 822842570 /nfs/dbraw/zinc/84/25/70/822842570.db2.gz ASGKPWWAXJXJHL-IBGZPJMESA-N 1 1 381.476 4.385 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)cs2)cc1 ZINC000053606465 822842573 /nfs/dbraw/zinc/84/25/73/822842573.db2.gz ASGKPWWAXJXJHL-IBGZPJMESA-N 1 1 381.476 4.385 20 0 GIADMO C[N@@H+](CCCCc1ccccc1)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053610506 822842733 /nfs/dbraw/zinc/84/27/33/822842733.db2.gz GFFMDPGWUIWDKX-UHFFFAOYSA-N 1 1 379.529 4.364 20 0 GIADMO C[C@]12CN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000456996663 822845202 /nfs/dbraw/zinc/84/52/02/822845202.db2.gz VGMBLVZDIQAMCM-KAWQCOBFSA-N 1 1 381.564 4.388 20 0 GIADMO COc1cccc(CNC(=O)CCn2cc[nH+]c2C(C)C)c1OC1CCCC1 ZINC000174847511 822845776 /nfs/dbraw/zinc/84/57/76/822845776.db2.gz NZIDXFOJZIZNND-UHFFFAOYSA-N 1 1 385.508 4.043 20 0 GIADMO O=C(C1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1)C(F)(F)F ZINC000186037967 822846086 /nfs/dbraw/zinc/84/60/86/822846086.db2.gz RIKFQSNKRQMHSJ-UHFFFAOYSA-N 1 1 378.394 4.004 20 0 GIADMO CCCCOc1ccc(OC)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174850700 822846430 /nfs/dbraw/zinc/84/64/30/822846430.db2.gz YLHFUZQOQHIPKS-ALOPSCKCSA-N 1 1 375.513 4.011 20 0 GIADMO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000053741770 822846726 /nfs/dbraw/zinc/84/67/26/822846726.db2.gz UHEFZHAVUDOSMW-CYBMUJFWSA-N 1 1 382.291 4.116 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000053759012 822847197 /nfs/dbraw/zinc/84/71/97/822847197.db2.gz HKIDARJBKCCKQX-MRXNPFEDSA-N 1 1 393.409 4.107 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)NCC[N@H+]2CCCC2(C)C)cs1 ZINC000457052541 822848485 /nfs/dbraw/zinc/84/84/85/822848485.db2.gz APEYEZSQWJGITQ-UHFFFAOYSA-N 1 1 389.590 4.348 20 0 GIADMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(COCc3ccccc3)cc1)C2 ZINC000174867225 822848735 /nfs/dbraw/zinc/84/87/35/822848735.db2.gz NTGACEXQDPUMBQ-FCHUYYIVSA-N 1 1 379.504 4.104 20 0 GIADMO CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)s2)cc1 ZINC000174875738 822849590 /nfs/dbraw/zinc/84/95/90/822849590.db2.gz AZIUWSCKVXUKJG-GOSISDBHSA-N 1 1 385.577 4.088 20 0 GIADMO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3CSC)cc2F)CC1 ZINC000186082593 822849990 /nfs/dbraw/zinc/84/99/90/822849990.db2.gz WBBCMBJBIOWJMS-UHFFFAOYSA-N 1 1 387.524 4.083 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)C3(Cc4cccc(F)c4)CCC3)CC2)[nH+]1 ZINC000186082418 822850012 /nfs/dbraw/zinc/85/00/12/822850012.db2.gz VZPVFLCVNGMTGS-UHFFFAOYSA-N 1 1 381.495 4.027 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457086929 822851760 /nfs/dbraw/zinc/85/17/60/822851760.db2.gz JHVWPMAZKVYKJG-INIZCTEOSA-N 1 1 395.425 4.224 20 0 GIADMO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000186117194 822853225 /nfs/dbraw/zinc/85/32/25/822853225.db2.gz DPFCNVXNAXXRFP-MJGOQNOKSA-N 1 1 390.574 4.204 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000457120200 822855155 /nfs/dbraw/zinc/85/51/55/822855155.db2.gz NWYJBBDMKXXYSS-CYBMUJFWSA-N 1 1 383.970 4.009 20 0 GIADMO Cc1sc(-c2ccco2)nc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174918944 822856105 /nfs/dbraw/zinc/85/61/05/822856105.db2.gz MTXLREOKRBCMSN-SFHVURJKSA-N 1 1 395.528 4.306 20 0 GIADMO Cc1nc2cc(C(=O)NCCCC[N@H+](C)C3CC3)ccc2n1Cc1ccsc1 ZINC000457163792 822858304 /nfs/dbraw/zinc/85/83/04/822858304.db2.gz IBORIXDTZLQJKY-UHFFFAOYSA-N 1 1 396.560 4.059 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000054011122 822858459 /nfs/dbraw/zinc/85/84/59/822858459.db2.gz ADFWMBHVDAUJQF-UHFFFAOYSA-N 1 1 391.471 4.468 20 0 GIADMO COc1ccc(OCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000054011237 822858637 /nfs/dbraw/zinc/85/86/37/822858637.db2.gz HHLVCGZRBSSJOJ-UHFFFAOYSA-N 1 1 379.460 4.081 20 0 GIADMO C[N@@H+](CCCCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000457171685 822858691 /nfs/dbraw/zinc/85/86/91/822858691.db2.gz SLWPQGHKSLACPW-IEBWSBKVSA-N 1 1 399.362 4.452 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)cc1Cl ZINC000174943720 822859117 /nfs/dbraw/zinc/85/91/17/822859117.db2.gz WOLGJYDBXAAJKF-OAHLLOKOSA-N 1 1 378.850 4.212 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000174943203 822859170 /nfs/dbraw/zinc/85/91/70/822859170.db2.gz KQXAKZYCNFLMAV-OAQYLSRUSA-N 1 1 387.527 4.286 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC2(CSc3ccccc3)CC2)cc1 ZINC000186200826 822860278 /nfs/dbraw/zinc/86/02/78/822860278.db2.gz FGQYGLOHCFZWTH-UHFFFAOYSA-N 1 1 397.544 4.088 20 0 GIADMO Cc1ccc2nc(C)c(C(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000174959020 822861479 /nfs/dbraw/zinc/86/14/79/822861479.db2.gz GWRIAVODVBVGFW-OAQYLSRUSA-N 1 1 387.527 4.446 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1Br ZINC000174960518 822861639 /nfs/dbraw/zinc/86/16/39/822861639.db2.gz IFUVSMSTQXPSGH-HNNXBMFYSA-N 1 1 393.350 4.105 20 0 GIADMO Cc1[nH]c2ccc(C(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1C ZINC000174965448 822862258 /nfs/dbraw/zinc/86/22/58/822862258.db2.gz BATRYMJZJYNMBQ-HXUWFJFHSA-N 1 1 375.516 4.379 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000174969702 822862629 /nfs/dbraw/zinc/86/26/29/822862629.db2.gz PCJJJRWPSVWBES-IBGZPJMESA-N 1 1 394.563 4.110 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054122108 822862970 /nfs/dbraw/zinc/86/29/70/822862970.db2.gz WKFDLUMOCSHUOM-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000054122108 822862973 /nfs/dbraw/zinc/86/29/73/822862973.db2.gz WKFDLUMOCSHUOM-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000174980755 822863725 /nfs/dbraw/zinc/86/37/25/822863725.db2.gz UVDCNHFKRLXQFC-SJORKVTESA-N 1 1 391.943 4.022 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000186263934 822866818 /nfs/dbraw/zinc/86/68/18/822866818.db2.gz JORSJIBRERFURX-IBGZPJMESA-N 1 1 394.515 4.380 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000175015139 822867660 /nfs/dbraw/zinc/86/76/60/822867660.db2.gz MXYSNGHKJNDVGE-UHFFFAOYSA-N 1 1 379.913 4.111 20 0 GIADMO Cc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000186273268 822868121 /nfs/dbraw/zinc/86/81/21/822868121.db2.gz FNQJBRPDJLXGJN-QGZVFWFLSA-N 1 1 385.471 4.166 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)Nc3ccc(OC(F)(F)F)cc3)CCCC2)n1 ZINC000175022280 822869039 /nfs/dbraw/zinc/86/90/39/822869039.db2.gz FLUGZIPDVLXDSE-UHFFFAOYSA-N 1 1 399.438 4.348 20 0 GIADMO Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000175028240 822870554 /nfs/dbraw/zinc/87/05/54/822870554.db2.gz DKKAKWMXMDIINE-OXQOHEQNSA-N 1 1 396.535 4.443 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000054271579 822872256 /nfs/dbraw/zinc/87/22/56/822872256.db2.gz UTZYRDNQKKNJIZ-NRFANRHFSA-N 1 1 397.906 4.226 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000054271579 822872262 /nfs/dbraw/zinc/87/22/62/822872262.db2.gz UTZYRDNQKKNJIZ-NRFANRHFSA-N 1 1 397.906 4.226 20 0 GIADMO O=c1[nH]c(CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)nc2ccccc21 ZINC000054271837 822872313 /nfs/dbraw/zinc/87/23/13/822872313.db2.gz FJRXTWPNKXKUGM-GOSISDBHSA-N 1 1 398.304 4.065 20 0 GIADMO Cc1noc(C)c1COc1ccccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000054287719 822873275 /nfs/dbraw/zinc/87/32/75/822873275.db2.gz HGEDBZPLHWNCGK-MRXNPFEDSA-N 1 1 399.535 4.111 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000569047071 822873359 /nfs/dbraw/zinc/87/33/59/822873359.db2.gz NPDLRGCABHQJDJ-QUCCMNQESA-N 1 1 385.504 4.325 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@@H](C)c4cccc(O)c43)cc2)C[C@H](C)O1 ZINC000186302735 822873624 /nfs/dbraw/zinc/87/36/24/822873624.db2.gz SFGARGFEWKMVIC-KURKYZTESA-N 1 1 394.515 4.155 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@@H](C)c4cccc(O)c43)cc2)C[C@H](C)O1 ZINC000186302735 822873627 /nfs/dbraw/zinc/87/36/27/822873627.db2.gz SFGARGFEWKMVIC-KURKYZTESA-N 1 1 394.515 4.155 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000054296889 822873793 /nfs/dbraw/zinc/87/37/93/822873793.db2.gz GKIXZALBGUENPI-SIKLNZKXSA-N 1 1 382.548 4.071 20 0 GIADMO Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)ccc1NC(=O)CC(C)C ZINC000175051531 822874079 /nfs/dbraw/zinc/87/40/79/822874079.db2.gz LSKRKHBPXGLEED-VQTJNVASSA-N 1 1 385.552 4.067 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@@H](C)C2CCCCC2)c1 ZINC000175056585 822874963 /nfs/dbraw/zinc/87/49/63/822874963.db2.gz VZFSINKCYFOIBI-KRWDZBQOSA-N 1 1 396.535 4.078 20 0 GIADMO O=C(CN1CCC[N@@H+](CC2CCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000054318675 822875959 /nfs/dbraw/zinc/87/59/59/822875959.db2.gz XGNZNUFEAQZPQM-UHFFFAOYSA-N 1 1 397.485 4.232 20 0 GIADMO CCN(C(=O)c1cnc(-c2ccco2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186324930 822876360 /nfs/dbraw/zinc/87/63/60/822876360.db2.gz HLWMDSPJPZPJMN-KRWDZBQOSA-N 1 1 381.501 4.140 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000186325494 822876441 /nfs/dbraw/zinc/87/64/41/822876441.db2.gz SOUFFUYFEGDDLF-DHIUTWEWSA-N 1 1 392.547 4.147 20 0 GIADMO CCN(C(=O)c1ccc(C(F)(F)F)nc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186326632 822876494 /nfs/dbraw/zinc/87/64/94/822876494.db2.gz UZCKEYJCUUINPM-KRWDZBQOSA-N 1 1 391.437 4.145 20 0 GIADMO Cc1csc([C@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000186327228 822876507 /nfs/dbraw/zinc/87/65/07/822876507.db2.gz NXOWDCMHIMIVHW-VQTJNVASSA-N 1 1 398.576 4.112 20 0 GIADMO COCC[N@@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)C1CCCC1 ZINC000054339016 822876730 /nfs/dbraw/zinc/87/67/30/822876730.db2.gz WNGAHSIZZMCQMN-UHFFFAOYSA-N 1 1 382.464 4.091 20 0 GIADMO CCN(C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H](C)c1cccnc1 ZINC000186329012 822876792 /nfs/dbraw/zinc/87/67/92/822876792.db2.gz NUBAEJDNEMFUSW-PGRDOPGGSA-N 1 1 380.536 4.085 20 0 GIADMO CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H](C)c1cccc(OC)c1 ZINC000054339817 822876921 /nfs/dbraw/zinc/87/69/21/822876921.db2.gz WHXTVLMPFGNJMW-OAHLLOKOSA-N 1 1 397.475 4.346 20 0 GIADMO CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@H](C)c1cccc(OC)c1 ZINC000054339817 822876926 /nfs/dbraw/zinc/87/69/26/822876926.db2.gz WHXTVLMPFGNJMW-OAHLLOKOSA-N 1 1 397.475 4.346 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccccc2Br)C1 ZINC000054348196 822877525 /nfs/dbraw/zinc/87/75/25/822877525.db2.gz SAJGGWJDERUPFI-ZBFHGGJFSA-N 1 1 388.309 4.406 20 0 GIADMO CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186332246 822877510 /nfs/dbraw/zinc/87/75/10/822877510.db2.gz AENBRGYGLITZEH-QFIPXVFZSA-N 1 1 393.531 4.018 20 0 GIADMO C[C@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F)C1CCC1 ZINC000457470338 822878275 /nfs/dbraw/zinc/87/82/75/822878275.db2.gz VVVQOPNXLZEQSQ-CABCVRRESA-N 1 1 375.488 4.013 20 0 GIADMO C[C@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)C1CCC1 ZINC000457470338 822878278 /nfs/dbraw/zinc/87/82/78/822878278.db2.gz VVVQOPNXLZEQSQ-CABCVRRESA-N 1 1 375.488 4.013 20 0 GIADMO COc1ccccc1-c1nc(CN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cs1 ZINC000569087674 822878688 /nfs/dbraw/zinc/87/86/88/822878688.db2.gz JDQBOBMGCPWSPV-FQEVSTJZSA-N 1 1 393.556 4.177 20 0 GIADMO Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000175093278 822880941 /nfs/dbraw/zinc/88/09/41/822880941.db2.gz RLCJKAGCCBAJRB-UHFFFAOYSA-N 1 1 385.464 4.101 20 0 GIADMO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000175103378 822882573 /nfs/dbraw/zinc/88/25/73/822882573.db2.gz FTKQQUFTLQULPD-HSALFYBXSA-N 1 1 383.561 4.218 20 0 GIADMO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175103564 822882695 /nfs/dbraw/zinc/88/26/95/822882695.db2.gz DIBQMDDRXPMEIY-HOJAQTOUSA-N 1 1 385.577 4.464 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569136786 822882907 /nfs/dbraw/zinc/88/29/07/822882907.db2.gz UKNQEEJPFWDBQU-GFCCVEGCSA-N 1 1 392.290 4.255 20 0 GIADMO CCC(=O)Nc1ccc(C)c(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000054412264 822883483 /nfs/dbraw/zinc/88/34/83/822883483.db2.gz ALZHGWUAODRBDW-IYBDPMFKSA-N 1 1 388.556 4.222 20 0 GIADMO CCOc1cc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1OC ZINC000054434523 822885205 /nfs/dbraw/zinc/88/52/05/822885205.db2.gz RBPQXRSMRCXOPG-LPHOPBHVSA-N 1 1 383.492 4.051 20 0 GIADMO CC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000175120357 822886065 /nfs/dbraw/zinc/88/60/65/822886065.db2.gz XPUSDEDBYIKSEJ-AVRDEDQJSA-N 1 1 380.536 4.264 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccncc1 ZINC000175120373 822886095 /nfs/dbraw/zinc/88/60/95/822886095.db2.gz XPUSDEDBYIKSEJ-PGRDOPGGSA-N 1 1 380.536 4.264 20 0 GIADMO COc1cc2cc[nH+]c(N[C@@H]3CCN(CCCc4ccccc4)C3=O)c2cc1F ZINC000569164589 822886801 /nfs/dbraw/zinc/88/68/01/822886801.db2.gz KMGNLFOFNDYTIG-HXUWFJFHSA-N 1 1 393.462 4.028 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000054451143 822887046 /nfs/dbraw/zinc/88/70/46/822887046.db2.gz ZRFKVVXKJVGSFM-BBRMVZONSA-N 1 1 399.545 4.224 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000569165542 822887242 /nfs/dbraw/zinc/88/72/42/822887242.db2.gz SDSXYCLYJKGZRQ-CQSZACIVSA-N 1 1 379.957 4.215 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cnc3cnccn23)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000569172468 822888584 /nfs/dbraw/zinc/88/85/84/822888584.db2.gz LMVPHNXSVQEHII-YLJYHZDGSA-N 1 1 394.519 4.327 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457546992 822888985 /nfs/dbraw/zinc/88/89/85/822888985.db2.gz YAPAQBNBBWFEJE-UHFFFAOYSA-N 1 1 391.309 4.026 20 0 GIADMO CC(C)c1nc([C@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cs1 ZINC000186405372 822889363 /nfs/dbraw/zinc/88/93/63/822889363.db2.gz XRQFBIHKBNDKSR-LBPRGKRZSA-N 1 1 396.354 4.110 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000457550409 822889441 /nfs/dbraw/zinc/88/94/41/822889441.db2.gz CBCYLGHVAPSGRL-HNNXBMFYSA-N 1 1 398.532 4.087 20 0 GIADMO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2O1 ZINC000569185395 822890010 /nfs/dbraw/zinc/89/00/10/822890010.db2.gz ACDULQHBPKETMP-XMSQKQJNSA-N 1 1 381.476 4.105 20 0 GIADMO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2O1 ZINC000569185395 822890016 /nfs/dbraw/zinc/89/00/16/822890016.db2.gz ACDULQHBPKETMP-XMSQKQJNSA-N 1 1 381.476 4.105 20 0 GIADMO CC(C)c1nc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)cs1 ZINC000186421462 822891832 /nfs/dbraw/zinc/89/18/32/822891832.db2.gz YTXNKDKUYCYQOO-OLZOCXBDSA-N 1 1 399.354 4.120 20 0 GIADMO Cn1c(=S)n(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)nc1-c1cccnc1 ZINC000054549538 822894814 /nfs/dbraw/zinc/89/48/14/822894814.db2.gz WYZCQIHXQMCTAZ-LJQANCHMSA-N 1 1 379.533 4.068 20 0 GIADMO Cn1c(=S)n(C[N@H+]2CCC[C@@H]2CCc2ccccc2)nc1-c1cccnc1 ZINC000054549538 822894821 /nfs/dbraw/zinc/89/48/21/822894821.db2.gz WYZCQIHXQMCTAZ-LJQANCHMSA-N 1 1 379.533 4.068 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000175163334 822895595 /nfs/dbraw/zinc/89/55/95/822895595.db2.gz MOJAMUSOKHHYFC-HXUWFJFHSA-N 1 1 395.522 4.021 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc([C@@H]4CCOC4)c3)C2)s1 ZINC000569249538 822896210 /nfs/dbraw/zinc/89/62/10/822896210.db2.gz HZPRXPFDOVXBIX-WIYYLYMNSA-N 1 1 398.572 4.155 20 0 GIADMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](OC)C2)cc1Cl ZINC000569247428 822896411 /nfs/dbraw/zinc/89/64/11/822896411.db2.gz PFDVNTFPELHTIE-YLJYHZDGSA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](OC)C2)cc1Cl ZINC000569247428 822896413 /nfs/dbraw/zinc/89/64/13/822896413.db2.gz PFDVNTFPELHTIE-YLJYHZDGSA-N 1 1 388.895 4.139 20 0 GIADMO CC(C)(Cc1ccccc1)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000569252693 822896972 /nfs/dbraw/zinc/89/69/72/822896972.db2.gz LIFQNPJMAKJAFQ-VWLOTQADSA-N 1 1 376.544 4.380 20 0 GIADMO CCCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000569255101 822897311 /nfs/dbraw/zinc/89/73/11/822897311.db2.gz UNIDYKQUIPMGTB-YOEHRIQHSA-N 1 1 399.373 4.019 20 0 GIADMO CCc1ccc(CN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)C2CC2)cc1 ZINC000054610086 822899109 /nfs/dbraw/zinc/89/91/09/822899109.db2.gz AZHGNLLXVWWUSH-UHFFFAOYSA-N 1 1 389.503 4.012 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000457635868 822899420 /nfs/dbraw/zinc/89/94/20/822899420.db2.gz JOZINUOXCYQISQ-DOMZBBRYSA-N 1 1 393.350 4.212 20 0 GIADMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000569291827 822902613 /nfs/dbraw/zinc/90/26/13/822902613.db2.gz SUGVWEIDYRGHHK-KRWDZBQOSA-N 1 1 378.944 4.400 20 0 GIADMO CC[C@H](CC(F)F)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457661592 822902956 /nfs/dbraw/zinc/90/29/56/822902956.db2.gz IHQSKPOBCDAHNU-MSOLQXFVSA-N 1 1 390.478 4.258 20 0 GIADMO CC(C)c1ccccc1OCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569298885 822903653 /nfs/dbraw/zinc/90/36/53/822903653.db2.gz DKAFQJNNUWJOTJ-VXKWHMMOSA-N 1 1 392.543 4.169 20 0 GIADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)CC(F)(F)F ZINC000457669213 822903926 /nfs/dbraw/zinc/90/39/26/822903926.db2.gz SQUJNFVDVIKPFE-RLFYNMQTSA-N 1 1 385.474 4.037 20 0 GIADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)CC(F)(F)F ZINC000457669213 822903929 /nfs/dbraw/zinc/90/39/29/822903929.db2.gz SQUJNFVDVIKPFE-RLFYNMQTSA-N 1 1 385.474 4.037 20 0 GIADMO Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2)cc1 ZINC000457669058 822903968 /nfs/dbraw/zinc/90/39/68/822903968.db2.gz KMYLCIJHBAAJCR-FDDCHVKYSA-N 1 1 391.515 4.271 20 0 GIADMO C[C@H](c1ccc(NC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1)[NH+]1CCOCC1 ZINC000569302881 822904416 /nfs/dbraw/zinc/90/44/16/822904416.db2.gz MGOBUBBJQHFORW-ZWDAVXSWSA-N 1 1 397.494 4.287 20 0 GIADMO CC(=O)N(Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1)C(C)C ZINC000569307001 822905044 /nfs/dbraw/zinc/90/50/44/822905044.db2.gz PQNCXMQAHUBZRH-JOCHJYFZSA-N 1 1 385.552 4.179 20 0 GIADMO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054684204 822905967 /nfs/dbraw/zinc/90/59/67/822905967.db2.gz SFNUXOWTGWVCCH-CQSZACIVSA-N 1 1 377.941 4.162 20 0 GIADMO C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054684204 822905970 /nfs/dbraw/zinc/90/59/70/822905970.db2.gz SFNUXOWTGWVCCH-CQSZACIVSA-N 1 1 377.941 4.162 20 0 GIADMO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054684173 822906051 /nfs/dbraw/zinc/90/60/51/822906051.db2.gz WLDWOIBFLMHRNH-AWEZNQCLSA-N 1 1 377.941 4.162 20 0 GIADMO C[C@@H](c1ccccc1Cl)N(C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054684173 822906057 /nfs/dbraw/zinc/90/60/57/822906057.db2.gz WLDWOIBFLMHRNH-AWEZNQCLSA-N 1 1 377.941 4.162 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000054683952 822906107 /nfs/dbraw/zinc/90/61/07/822906107.db2.gz UTZLXTMTPORDKA-MRXNPFEDSA-N 1 1 397.466 4.099 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000054683952 822906113 /nfs/dbraw/zinc/90/61/13/822906113.db2.gz UTZLXTMTPORDKA-MRXNPFEDSA-N 1 1 397.466 4.099 20 0 GIADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054687294 822906280 /nfs/dbraw/zinc/90/62/80/822906280.db2.gz JDFSJICTEZSTGU-OAHLLOKOSA-N 1 1 383.517 4.255 20 0 GIADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054687294 822906281 /nfs/dbraw/zinc/90/62/81/822906281.db2.gz JDFSJICTEZSTGU-OAHLLOKOSA-N 1 1 383.517 4.255 20 0 GIADMO C[C@H](CC(F)(F)F)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000457685679 822906689 /nfs/dbraw/zinc/90/66/89/822906689.db2.gz ZYKURGJKYZMLQR-OAHLLOKOSA-N 1 1 388.433 4.489 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000175217434 822906914 /nfs/dbraw/zinc/90/69/14/822906914.db2.gz DQLBLMJRYCQTJT-SEJPIABJSA-N 1 1 395.551 4.192 20 0 GIADMO CCOc1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000175225623 822908973 /nfs/dbraw/zinc/90/89/73/822908973.db2.gz ASBZTZQOIHQZIP-IBGZPJMESA-N 1 1 397.519 4.080 20 0 GIADMO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(OC(F)F)cc1OC(F)F ZINC000186531748 822909602 /nfs/dbraw/zinc/90/96/02/822909602.db2.gz DJHDVZZVAHOKTH-GXFFZTMASA-N 1 1 377.334 4.257 20 0 GIADMO CCC(C)(C)OCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000457720860 822910650 /nfs/dbraw/zinc/91/06/50/822910650.db2.gz WGTNXMCDXZUQEX-UHFFFAOYSA-N 1 1 387.351 4.279 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000457722593 822910828 /nfs/dbraw/zinc/91/08/28/822910828.db2.gz DWNOVKMFRZZHBL-LJQANCHMSA-N 1 1 385.577 4.098 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000186557597 822912917 /nfs/dbraw/zinc/91/29/17/822912917.db2.gz PWQBZDBHPVKRBB-UHFFFAOYSA-N 1 1 391.302 4.344 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)C1 ZINC000457746862 822913933 /nfs/dbraw/zinc/91/39/33/822913933.db2.gz SZTGWPBALORSEY-INIZCTEOSA-N 1 1 397.485 4.326 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000186564843 822914138 /nfs/dbraw/zinc/91/41/38/822914138.db2.gz AZBSYWMPGPEVMF-IBGZPJMESA-N 1 1 398.576 4.363 20 0 GIADMO COc1ccc([C@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c2ccco2)cc1 ZINC000457752311 822914781 /nfs/dbraw/zinc/91/47/81/822914781.db2.gz XCPZTNMDMSDOGV-AVRDEDQJSA-N 1 1 399.535 4.331 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054839477 822916992 /nfs/dbraw/zinc/91/69/92/822916992.db2.gz KPBPDDRSMDEVPP-CGTJXYLNSA-N 1 1 384.549 4.106 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000054839364 822917044 /nfs/dbraw/zinc/91/70/44/822917044.db2.gz RNTIRRVLGFDSCS-WBVHZDCISA-N 1 1 398.532 4.375 20 0 GIADMO CC(C)Oc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000457772351 822917526 /nfs/dbraw/zinc/91/75/26/822917526.db2.gz VXYQFXHTWFFHRB-SFHVURJKSA-N 1 1 386.923 4.379 20 0 GIADMO COc1cccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1OC(F)F ZINC000186588952 822918369 /nfs/dbraw/zinc/91/83/69/822918369.db2.gz LMAPFPBUOKQLKQ-UHFFFAOYSA-N 1 1 395.421 4.005 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1C ZINC000054886421 822919827 /nfs/dbraw/zinc/91/98/27/822919827.db2.gz WIXZNMMWDJEVBP-LJQANCHMSA-N 1 1 378.516 4.076 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc3c(Br)cccc23)C1 ZINC000569418713 822920443 /nfs/dbraw/zinc/92/04/43/822920443.db2.gz FSDMFVBZTQOJMT-INIZCTEOSA-N 1 1 387.321 4.189 20 0 GIADMO C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1nc(Cc2ccccc2)no1 ZINC000569422108 822920740 /nfs/dbraw/zinc/92/07/40/822920740.db2.gz FRFVBPGZGQMTAI-OAHLLOKOSA-N 1 1 398.457 4.258 20 0 GIADMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000175272644 822921168 /nfs/dbraw/zinc/92/11/68/822921168.db2.gz WBKNTSMUSCZPOR-KBPBESRZSA-N 1 1 389.462 4.156 20 0 GIADMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000175272644 822921172 /nfs/dbraw/zinc/92/11/72/822921172.db2.gz WBKNTSMUSCZPOR-KBPBESRZSA-N 1 1 389.462 4.156 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)nnn1-c1ccc(Cl)cc1 ZINC000186602087 822921730 /nfs/dbraw/zinc/92/17/30/822921730.db2.gz PIBMZECRCRQLQT-CQSZACIVSA-N 1 1 384.911 4.307 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000175279844 822923081 /nfs/dbraw/zinc/92/30/81/822923081.db2.gz HEFYZNGJPOVILW-SFHVURJKSA-N 1 1 379.479 4.291 20 0 GIADMO Cc1cc(Br)c(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)s1 ZINC000457834572 822924028 /nfs/dbraw/zinc/92/40/28/822924028.db2.gz KOSHDVXTIKMOJK-UHFFFAOYSA-N 1 1 385.327 4.006 20 0 GIADMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000186624783 822925485 /nfs/dbraw/zinc/92/54/85/822925485.db2.gz OUDZZELDIDIKFP-QRQCRPRQSA-N 1 1 381.451 4.161 20 0 GIADMO Fc1ccc(C[NH+]2CCC(NC(=S)Nc3ccccc3F)CC2)cc1F ZINC000054969882 822926069 /nfs/dbraw/zinc/92/60/69/822926069.db2.gz RKNFSGVUTKBROI-UHFFFAOYSA-N 1 1 379.451 4.055 20 0 GIADMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(F)cc2cccnc21 ZINC000569465806 822926424 /nfs/dbraw/zinc/92/64/24/822926424.db2.gz UOLMVOKVDUVJJI-HXUWFJFHSA-N 1 1 389.430 4.228 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1(c3c(Cl)cccc3Cl)CCC1)C2 ZINC000569466799 822926661 /nfs/dbraw/zinc/92/66/61/822926661.db2.gz JSMQKSBKXUVYHV-CYBMUJFWSA-N 1 1 378.303 4.256 20 0 GIADMO CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2sccc2Br)c1 ZINC000569467188 822926783 /nfs/dbraw/zinc/92/67/83/822926783.db2.gz XEBFWKINQGXZFV-NSHDSACASA-N 1 1 388.352 4.155 20 0 GIADMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000055030434 822932591 /nfs/dbraw/zinc/93/25/91/822932591.db2.gz AVFWIJWUFSGKDQ-UHFFFAOYSA-N 1 1 388.309 4.235 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055032093 822932637 /nfs/dbraw/zinc/93/26/37/822932637.db2.gz XXSBSYANCCHERP-UHFFFAOYSA-N 1 1 390.487 4.436 20 0 GIADMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cccc(-n2cccn2)c1 ZINC000569517166 822933387 /nfs/dbraw/zinc/93/33/87/822933387.db2.gz LDAGSFJVMAGDBW-UHFFFAOYSA-N 1 1 395.466 4.082 20 0 GIADMO COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186672793 822934287 /nfs/dbraw/zinc/93/42/87/822934287.db2.gz HVMVVSMKSDTEAC-JOCHJYFZSA-N 1 1 379.481 4.319 20 0 GIADMO COc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1OC(F)F ZINC000055102490 822938254 /nfs/dbraw/zinc/93/82/54/822938254.db2.gz PTHBUICTRNHYGD-UHFFFAOYSA-N 1 1 375.415 4.392 20 0 GIADMO CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CCO2 ZINC000186693521 822938766 /nfs/dbraw/zinc/93/87/66/822938766.db2.gz KDCJQGDOFLJAEW-VGSWGCGISA-N 1 1 384.520 4.200 20 0 GIADMO O=C(CCc1nccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000055105493 822938928 /nfs/dbraw/zinc/93/89/28/822938928.db2.gz VHXVDIVUPDFMDQ-UHFFFAOYSA-N 1 1 391.540 4.010 20 0 GIADMO C[C@@]12CCC[N@@H+]1C[C@H](c1noc([C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)n1)OC2 ZINC000569559460 822939674 /nfs/dbraw/zinc/93/96/74/822939674.db2.gz KXWZSFISSLMXHV-MKSNKDDYSA-N 1 1 393.409 4.285 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@H](c1noc([C@@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)n1)OC2 ZINC000569559460 822939676 /nfs/dbraw/zinc/93/96/76/822939676.db2.gz KXWZSFISSLMXHV-MKSNKDDYSA-N 1 1 393.409 4.285 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000055152308 822941309 /nfs/dbraw/zinc/94/13/09/822941309.db2.gz MDLHHNDTVKGFDF-RYUDHWBXSA-N 1 1 395.272 4.275 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2)C[C@H](C)O1 ZINC000175354180 822943422 /nfs/dbraw/zinc/94/34/22/822943422.db2.gz JAFCTLHBMUZQCT-IYBDPMFKSA-N 1 1 398.469 4.100 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2)C[C@H](C)O1 ZINC000175354180 822943425 /nfs/dbraw/zinc/94/34/25/822943425.db2.gz JAFCTLHBMUZQCT-IYBDPMFKSA-N 1 1 398.469 4.100 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000569617422 822945463 /nfs/dbraw/zinc/94/54/63/822945463.db2.gz ABIYAWYSJXECMG-KRWDZBQOSA-N 1 1 386.565 4.034 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000569617422 822945466 /nfs/dbraw/zinc/94/54/66/822945466.db2.gz ABIYAWYSJXECMG-KRWDZBQOSA-N 1 1 386.565 4.034 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc([C@H]4C[C@H]4C)o3)CC2)cc1 ZINC000055209903 822946072 /nfs/dbraw/zinc/94/60/72/822946072.db2.gz NINMCTBGDLQVRC-GCJKJVERSA-N 1 1 396.531 4.079 20 0 GIADMO COc1cc(C)c(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000186737304 822947577 /nfs/dbraw/zinc/94/75/77/822947577.db2.gz UPIRKBZOTHFMLO-DLBZAZTESA-N 1 1 377.504 4.261 20 0 GIADMO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186737623 822947585 /nfs/dbraw/zinc/94/75/85/822947585.db2.gz BVLWPQRLSSUKFL-CVEARBPZSA-N 1 1 385.474 4.277 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000569651442 822950469 /nfs/dbraw/zinc/95/04/69/822950469.db2.gz UGVRJMANIGYWBR-UHFFFAOYSA-N 1 1 385.414 4.367 20 0 GIADMO CC1(c2cccc(Cl)c2)CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000569663227 822952272 /nfs/dbraw/zinc/95/22/72/822952272.db2.gz QQPCZWKIAKBMJE-UHFFFAOYSA-N 1 1 380.879 4.115 20 0 GIADMO Cc1noc(C2(C)CC[NH+](Cc3c(Cl)cc(Cl)cc3N(C)C)CC2)n1 ZINC000569664888 822952580 /nfs/dbraw/zinc/95/25/80/822952580.db2.gz BTNVARUANXZHJC-UHFFFAOYSA-N 1 1 383.323 4.305 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@H+]2CC[C@H](c3cccnc3)C2)o1 ZINC000569689595 822955731 /nfs/dbraw/zinc/95/57/31/822955731.db2.gz NSEVRZYQEONJFK-HNNXBMFYSA-N 1 1 384.277 4.489 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000175390234 822956145 /nfs/dbraw/zinc/95/61/45/822956145.db2.gz AMSAVMJCJXGMAZ-SXBQZSJRSA-N 1 1 378.925 4.099 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000569706299 822957592 /nfs/dbraw/zinc/95/75/92/822957592.db2.gz MAUKILRIKCXDBZ-HNNXBMFYSA-N 1 1 387.886 4.010 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000569706299 822957594 /nfs/dbraw/zinc/95/75/94/822957594.db2.gz MAUKILRIKCXDBZ-HNNXBMFYSA-N 1 1 387.886 4.010 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000055403352 822957899 /nfs/dbraw/zinc/95/78/99/822957899.db2.gz LLUPBKKBFCXFHE-LSDHHAIUSA-N 1 1 391.968 4.243 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000458102271 822958584 /nfs/dbraw/zinc/95/85/84/822958584.db2.gz AHJNXVPPLIXPIH-NRFANRHFSA-N 1 1 379.504 4.418 20 0 GIADMO CCOc1cc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(Cl)c1O ZINC000186812278 822959338 /nfs/dbraw/zinc/95/93/38/822959338.db2.gz LJSCVUSSQOAXNG-HOTGVXAUSA-N 1 1 394.943 4.171 20 0 GIADMO O=C(N1Cc2cccc(F)c2C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000458116399 822959771 /nfs/dbraw/zinc/95/97/71/822959771.db2.gz WNUMQGCGYZQJPO-HXUWFJFHSA-N 1 1 392.396 4.123 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1Cc2ccc(Cl)cc2C1 ZINC000458116616 822959788 /nfs/dbraw/zinc/95/97/88/822959788.db2.gz XFHKYTDMPBRPOP-OAHLLOKOSA-N 1 1 389.952 4.339 20 0 GIADMO C[C@@]1(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C[C@H]1c1ccccc1 ZINC000458115811 822959818 /nfs/dbraw/zinc/95/98/18/822959818.db2.gz VSQJROIBPQQWOG-RBDMOPTHSA-N 1 1 383.561 4.206 20 0 GIADMO Cc1sc2[nH]c([C@H](C)[N@@H+]3CCCN4c5ccccc5C[C@@H]4C3)nc(=O)c2c1C ZINC000569744714 822962324 /nfs/dbraw/zinc/96/23/24/822962324.db2.gz IBTKDRNZJGIWCS-WMLDXEAASA-N 1 1 394.544 4.212 20 0 GIADMO Cc1sc2[nH]c([C@H](C)[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)nc(=O)c2c1C ZINC000569744714 822962327 /nfs/dbraw/zinc/96/23/27/822962327.db2.gz IBTKDRNZJGIWCS-WMLDXEAASA-N 1 1 394.544 4.212 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000458147537 822962684 /nfs/dbraw/zinc/96/26/84/822962684.db2.gz OESXORUPAPKSKS-QGZVFWFLSA-N 1 1 391.437 4.042 20 0 GIADMO COCCOc1ccc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569746774 822962771 /nfs/dbraw/zinc/96/27/71/822962771.db2.gz FJUTZKWTAMWHIN-QHCPKHFHSA-N 1 1 382.548 4.104 20 0 GIADMO COCCOc1ccc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569746774 822962774 /nfs/dbraw/zinc/96/27/74/822962774.db2.gz FJUTZKWTAMWHIN-QHCPKHFHSA-N 1 1 382.548 4.104 20 0 GIADMO Cc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1NC(=O)Nc1ccccc1 ZINC000458156320 822963464 /nfs/dbraw/zinc/96/34/64/822963464.db2.gz BPSXSGXKMBDJLW-GOSISDBHSA-N 1 1 394.519 4.101 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000458157626 822963650 /nfs/dbraw/zinc/96/36/50/822963650.db2.gz CUGKYMNHWOODSO-KURKYZTESA-N 1 1 383.561 4.194 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2ccccc2c(Cl)n1 ZINC000175415862 822963748 /nfs/dbraw/zinc/96/37/48/822963748.db2.gz ZQZVNEFHIPKXMV-SFHVURJKSA-N 1 1 393.918 4.482 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2COc3ccc(F)cc32)c1 ZINC000569755859 822964117 /nfs/dbraw/zinc/96/41/17/822964117.db2.gz PDXKQBSQBZZPEE-LJQANCHMSA-N 1 1 394.450 4.449 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186840018 822965311 /nfs/dbraw/zinc/96/53/11/822965311.db2.gz OIONNEGOKIYTNQ-DLBZAZTESA-N 1 1 376.566 4.125 20 0 GIADMO CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458178822 822965694 /nfs/dbraw/zinc/96/56/94/822965694.db2.gz XBTYQRJNTRMKNI-QGZVFWFLSA-N 1 1 387.593 4.493 20 0 GIADMO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)Nc1ccccc1Oc1ccccc1 ZINC000186845402 822966519 /nfs/dbraw/zinc/96/65/19/822966519.db2.gz JCLKMKKVIVREFF-UHFFFAOYSA-N 1 1 398.528 4.015 20 0 GIADMO O=C(C[N@H+]1CCSC2(CCOCC2)C1)Nc1ccccc1Oc1ccccc1 ZINC000186845402 822966523 /nfs/dbraw/zinc/96/65/23/822966523.db2.gz JCLKMKKVIVREFF-UHFFFAOYSA-N 1 1 398.528 4.015 20 0 GIADMO COc1cc2cc[nH+]c(NCc3ccc(OCC(F)(F)F)nc3)c2cc1F ZINC000569844354 822975049 /nfs/dbraw/zinc/97/50/49/822975049.db2.gz CGTGZYIMTQAJKV-UHFFFAOYSA-N 1 1 381.329 4.331 20 0 GIADMO C[NH+](C)Cc1cc(C(=O)N(CCCCc2ccccc2)c2ccccc2)no1 ZINC000458264256 822975299 /nfs/dbraw/zinc/97/52/99/822975299.db2.gz BMARPNUBDQDBLW-UHFFFAOYSA-N 1 1 377.488 4.406 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000175465256 822975762 /nfs/dbraw/zinc/97/57/62/822975762.db2.gz SWWMUWSIUHQGTN-KRWDZBQOSA-N 1 1 383.521 4.128 20 0 GIADMO C[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000569857379 822976961 /nfs/dbraw/zinc/97/69/61/822976961.db2.gz ZLHWSVYKFVDNHY-NRXGSXMXSA-N 1 1 395.425 4.360 20 0 GIADMO C[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000569857379 822976966 /nfs/dbraw/zinc/97/69/66/822976966.db2.gz ZLHWSVYKFVDNHY-NRXGSXMXSA-N 1 1 395.425 4.360 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000175490327 822981971 /nfs/dbraw/zinc/98/19/71/822981971.db2.gz TYIWEJWHCCBQIL-GOSISDBHSA-N 1 1 381.501 4.105 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000175490327 822981974 /nfs/dbraw/zinc/98/19/74/822981974.db2.gz TYIWEJWHCCBQIL-GOSISDBHSA-N 1 1 381.501 4.105 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1)C(C)C ZINC000186949370 822985074 /nfs/dbraw/zinc/98/50/74/822985074.db2.gz VMFPILFVJSLODP-XMMPIXPASA-N 1 1 378.516 4.189 20 0 GIADMO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ncc(Br)cc1F ZINC000186965303 822988594 /nfs/dbraw/zinc/98/85/94/822988594.db2.gz PFAMORNIUDQIHG-AWEZNQCLSA-N 1 1 392.316 4.082 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000175518052 822989402 /nfs/dbraw/zinc/98/94/02/822989402.db2.gz XRSUGPKGMUCRMF-HNNXBMFYSA-N 1 1 384.430 4.282 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000175518052 822989405 /nfs/dbraw/zinc/98/94/05/822989405.db2.gz XRSUGPKGMUCRMF-HNNXBMFYSA-N 1 1 384.430 4.282 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000175524901 822990745 /nfs/dbraw/zinc/99/07/45/822990745.db2.gz FEMJJFNOPYLKOH-PMACEKPBSA-N 1 1 389.609 4.465 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3CC[C@H](C)[C@H]3c3cccc(F)c3)CC2)[nH+]1 ZINC000175526909 822991032 /nfs/dbraw/zinc/99/10/32/822991032.db2.gz SYFMMTWDYARBAN-AOMKIAJQSA-N 1 1 396.510 4.291 20 0 GIADMO c1c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000569972489 822991563 /nfs/dbraw/zinc/99/15/63/822991563.db2.gz YXYAUEHIXPGLGU-REWPJTCUSA-N 1 1 388.515 4.325 20 0 GIADMO CCOC(=O)[C@]1(CCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1=O ZINC000569971046 822991596 /nfs/dbraw/zinc/99/15/96/822991596.db2.gz CHYKBMCYPBJIRF-UGKGYDQZSA-N 1 1 389.561 4.077 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000175529222 822991667 /nfs/dbraw/zinc/99/16/67/822991667.db2.gz LIUSLCODQFKLNV-JOCHJYFZSA-N 1 1 388.515 4.355 20 0 GIADMO O=C(Cc1ccccc1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531318 822991894 /nfs/dbraw/zinc/99/18/94/822991894.db2.gz YEUMPQWMQGVSAL-HXUWFJFHSA-N 1 1 390.449 4.142 20 0 GIADMO Cc1cccnc1[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000175542467 822993887 /nfs/dbraw/zinc/99/38/87/822993887.db2.gz LQLXTDVPRQUSIX-BAGYTPMASA-N 1 1 394.563 4.439 20 0 GIADMO COCCCn1nccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000569990059 822994019 /nfs/dbraw/zinc/99/40/19/822994019.db2.gz WEYOOFFTDZQGLQ-OAQYLSRUSA-N 1 1 384.911 4.042 20 0 GIADMO Cc1nnc(C[NH2+][C@H](C)c2sc(-c3ccccc3Br)nc2C)[nH]1 ZINC000569996952 822994665 /nfs/dbraw/zinc/99/46/65/822994665.db2.gz PVQQDVYQTMKBFJ-SECBINFHSA-N 1 1 392.326 4.158 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCC(C)CC3)cc2)c(OC)c1 ZINC000055684774 822998641 /nfs/dbraw/zinc/99/86/41/822998641.db2.gz LWVYJLBYJYICFK-QGZVFWFLSA-N 1 1 397.519 4.379 20 0 GIADMO Clc1ccccc1-c1csc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000187024931 822999791 /nfs/dbraw/zinc/99/97/91/822999791.db2.gz COFHNQMWWGTTTM-INIZCTEOSA-N 1 1 391.968 4.008 20 0 GIADMO Clc1ccccc1-c1csc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000187024931 822999796 /nfs/dbraw/zinc/99/97/96/822999796.db2.gz COFHNQMWWGTTTM-INIZCTEOSA-N 1 1 391.968 4.008 20 0 GIADMO Cc1nc2cc(CNC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)ccc2n1C1CC1 ZINC000570058007 823001633 /nfs/dbraw/zinc/00/16/33/823001633.db2.gz KYNNTPIXFQAHIY-OAQYLSRUSA-N 1 1 396.922 4.252 20 0 GIADMO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OCC(F)(F)F)c1 ZINC000175587911 823002991 /nfs/dbraw/zinc/00/29/91/823002991.db2.gz WWEZLEOFDZSTJA-GOOCMWNKSA-N 1 1 385.430 4.073 20 0 GIADMO Cc1cc(=O)[nH]c2cc(C(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)ccc12 ZINC000570075633 823003718 /nfs/dbraw/zinc/00/37/18/823003718.db2.gz IAPBNHIEWYALTJ-LJQANCHMSA-N 1 1 381.520 4.023 20 0 GIADMO COc1cc(F)c(F)cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000570090715 823004890 /nfs/dbraw/zinc/00/48/90/823004890.db2.gz WYGARHMSAPQOSU-KDOFPFPSSA-N 1 1 389.446 4.006 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ncc(Br)cc1F ZINC000187059271 823005010 /nfs/dbraw/zinc/00/50/10/823005010.db2.gz BDIAMZWMJGDPLR-NSHDSACASA-N 1 1 393.235 4.159 20 0 GIADMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)s1 ZINC000570094509 823005210 /nfs/dbraw/zinc/00/52/10/823005210.db2.gz CIKUJXCEZALOQN-HQRMLTQVSA-N 1 1 388.577 4.462 20 0 GIADMO CC(C)(C)OC(=O)CC[N@@H+](Cc1cccc(-c2ccncc2)c1)C1CCOCC1 ZINC000570093053 823005258 /nfs/dbraw/zinc/00/52/58/823005258.db2.gz HLZHZHZLRROZJH-UHFFFAOYSA-N 1 1 396.531 4.461 20 0 GIADMO COc1cnccc1[C@H](C)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000187070634 823006561 /nfs/dbraw/zinc/00/65/61/823006561.db2.gz FYRRVYIJDHTKFK-ZDUSSCGKSA-N 1 1 399.292 4.161 20 0 GIADMO Cc1nc(C)c([C@H](C)N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000175631140 823009796 /nfs/dbraw/zinc/00/97/96/823009796.db2.gz ZPVVVPNIFXTPJL-RDJZCZTQSA-N 1 1 388.581 4.373 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3F)cc2)CC1 ZINC000175632650 823010081 /nfs/dbraw/zinc/01/00/81/823010081.db2.gz JBVAMDSFQMBEQI-UHFFFAOYSA-N 1 1 395.400 4.239 20 0 GIADMO C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175633724 823010164 /nfs/dbraw/zinc/01/01/64/823010164.db2.gz GEIQJSFKUNAWKR-LVCYWYKZSA-N 1 1 381.520 4.148 20 0 GIADMO CC(=O)c1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)o1 ZINC000570153701 823010874 /nfs/dbraw/zinc/01/08/74/823010874.db2.gz AMYVAQVKJUHCDL-UHFFFAOYSA-N 1 1 380.488 4.143 20 0 GIADMO CC(=O)c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)o1 ZINC000570153701 823010876 /nfs/dbraw/zinc/01/08/76/823010876.db2.gz AMYVAQVKJUHCDL-UHFFFAOYSA-N 1 1 380.488 4.143 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N(Cc2cccs2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000175638188 823011050 /nfs/dbraw/zinc/01/10/50/823011050.db2.gz DIHHDAKWVNFOJU-MJGOQNOKSA-N 1 1 383.561 4.475 20 0 GIADMO c1c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000570162486 823011406 /nfs/dbraw/zinc/01/14/06/823011406.db2.gz MSXZSDGFLBIUNW-PGRDOPGGSA-N 1 1 380.536 4.451 20 0 GIADMO COc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000187108175 823011559 /nfs/dbraw/zinc/01/15/59/823011559.db2.gz UJNMOCBEGLLNDC-LPHOPBHVSA-N 1 1 385.483 4.351 20 0 GIADMO CN1C(=O)CCc2cc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)ccc21 ZINC000187108797 823011695 /nfs/dbraw/zinc/01/16/95/823011695.db2.gz UDCHQYISNCEFHF-FPOVZHCZSA-N 1 1 382.504 4.057 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000187115534 823012780 /nfs/dbraw/zinc/01/27/80/823012780.db2.gz MUCBHURSPGDDJD-INIZCTEOSA-N 1 1 390.483 4.379 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)CC2)cs1 ZINC000175650254 823012838 /nfs/dbraw/zinc/01/28/38/823012838.db2.gz GTLAMKVZSCYFPT-HNAYVOBHSA-N 1 1 387.549 4.256 20 0 GIADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000187116891 823013044 /nfs/dbraw/zinc/01/30/44/823013044.db2.gz UEQXSRMLJHSQRE-UHFFFAOYSA-N 1 1 381.925 4.211 20 0 GIADMO COc1ccc2nc(C[N@@H+](C)C3CCN(C(=O)OC(C)(C)C)CC3)sc2c1 ZINC000187118877 823013424 /nfs/dbraw/zinc/01/34/24/823013424.db2.gz HKJLIIISEMUVFO-UHFFFAOYSA-N 1 1 391.537 4.136 20 0 GIADMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CCc1nc2cc(Cl)ccc2s1 ZINC000570188696 823013645 /nfs/dbraw/zinc/01/36/45/823013645.db2.gz MEJUQWOWMIBWJI-OAHLLOKOSA-N 1 1 379.957 4.215 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2Cc3ccccc3C3(CC3)C2)cc1)[NH+]1CCOCC1 ZINC000187150531 823018030 /nfs/dbraw/zinc/01/80/30/823018030.db2.gz RKJTUFNIZBBZQH-SFHVURJKSA-N 1 1 391.515 4.159 20 0 GIADMO Cc1nc(C)c([C@H](C)[N@H+](C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)s1 ZINC000570244337 823018440 /nfs/dbraw/zinc/01/84/40/823018440.db2.gz ZLGPTUJZANUQQL-MEDUHNTESA-N 1 1 381.904 4.351 20 0 GIADMO Cc1nc(C)c([C@H](C)[N@@H+](C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)s1 ZINC000570244337 823018442 /nfs/dbraw/zinc/01/84/42/823018442.db2.gz ZLGPTUJZANUQQL-MEDUHNTESA-N 1 1 381.904 4.351 20 0 GIADMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C1 ZINC000570248671 823019174 /nfs/dbraw/zinc/01/91/74/823019174.db2.gz ORALHRBBLFCBHG-HSZRJFAPSA-N 1 1 387.495 4.398 20 0 GIADMO Cc1cc2cccnc2c(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000570272173 823021451 /nfs/dbraw/zinc/02/14/51/823021451.db2.gz DHVQADZTXSLANR-UHFFFAOYSA-N 1 1 376.460 4.322 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570275852 823021829 /nfs/dbraw/zinc/02/18/29/823021829.db2.gz QAGMWDRBPNZAHE-UEVCKROQSA-N 1 1 399.579 4.162 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000570275851 823021928 /nfs/dbraw/zinc/02/19/28/823021928.db2.gz QAGMWDRBPNZAHE-PTUXOGIPSA-N 1 1 399.579 4.162 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)C2)s1 ZINC000570286417 823022403 /nfs/dbraw/zinc/02/24/03/823022403.db2.gz SYSDYDIKRJTWQR-OWCLPIDISA-N 1 1 388.499 4.315 20 0 GIADMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(C)n1 ZINC000187195695 823023517 /nfs/dbraw/zinc/02/35/17/823023517.db2.gz WFLFBPJCWBMIFX-INIZCTEOSA-N 1 1 389.425 4.140 20 0 GIADMO C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H]1n1ccnc1 ZINC000570318288 823025365 /nfs/dbraw/zinc/02/53/65/823025365.db2.gz FZYBPEWNMNEVOF-DNVCBOLYSA-N 1 1 389.425 4.171 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C)cc1-c1ccnn1C ZINC000570346763 823027508 /nfs/dbraw/zinc/02/75/08/823027508.db2.gz QPRRVBYXERZZGN-UHFFFAOYSA-N 1 1 390.531 4.119 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000175726073 823027730 /nfs/dbraw/zinc/02/77/30/823027730.db2.gz QAFONNAFFCBWSN-KRWDZBQOSA-N 1 1 382.508 4.067 20 0 GIADMO O=C(N[C@H](c1ccccc1)C1CC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000570353119 823028129 /nfs/dbraw/zinc/02/81/29/823028129.db2.gz RFEPFBKIDIFGEP-NOZRDPDXSA-N 1 1 389.543 4.445 20 0 GIADMO COC[C@@H](NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)c1ccco1 ZINC000175736417 823029416 /nfs/dbraw/zinc/02/94/16/823029416.db2.gz OOJQFJTUHWVPJT-GOSISDBHSA-N 1 1 382.464 4.157 20 0 GIADMO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cscc1C(F)(F)F ZINC000570369723 823030277 /nfs/dbraw/zinc/03/02/77/823030277.db2.gz XUTGOVOLHCDCRI-KRWDZBQOSA-N 1 1 384.467 4.013 20 0 GIADMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1cscc1C(F)(F)F ZINC000570369723 823030280 /nfs/dbraw/zinc/03/02/80/823030280.db2.gz XUTGOVOLHCDCRI-KRWDZBQOSA-N 1 1 384.467 4.013 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H]3CCCC(C)(C)C3)CC2)oc1C ZINC000570370793 823030637 /nfs/dbraw/zinc/03/06/37/823030637.db2.gz NANGNMWNZXRWKP-LJQANCHMSA-N 1 1 390.572 4.019 20 0 GIADMO COc1cc(C[N@H+](Cc2cccc(C)c2)Cc2ccccn2)cc(OC)c1O ZINC000570386071 823032140 /nfs/dbraw/zinc/03/21/40/823032140.db2.gz BPWSKBFHDAXANU-UHFFFAOYSA-N 1 1 378.472 4.315 20 0 GIADMO COc1cc(C[N@@H+](Cc2cccc(C)c2)Cc2ccccn2)cc(OC)c1O ZINC000570386071 823032142 /nfs/dbraw/zinc/03/21/42/823032142.db2.gz BPWSKBFHDAXANU-UHFFFAOYSA-N 1 1 378.472 4.315 20 0 GIADMO C[C@H](c1ccco1)N(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C1CC1 ZINC000175756652 823032686 /nfs/dbraw/zinc/03/26/86/823032686.db2.gz CMYAPCXZUTXZAT-RDTXWAMCSA-N 1 1 375.900 4.471 20 0 GIADMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC000570423655 823036041 /nfs/dbraw/zinc/03/60/41/823036041.db2.gz PBJQFGPHEYFQTC-QGZVFWFLSA-N 1 1 381.520 4.067 20 0 GIADMO 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C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2Sc2ccccc2)CC[N@H+]1C ZINC000123867166 823547532 /nfs/dbraw/zinc/54/75/32/823547532.db2.gz AQURTBCAWUNAHE-ROUUACIJSA-N 1 1 383.561 4.191 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460954953 823549975 /nfs/dbraw/zinc/54/99/75/823549975.db2.gz YQPQLLLTNNZUNJ-XQBPLPMBSA-N 1 1 393.531 4.138 20 0 GIADMO Cc1nn(C)c(C)c1CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000123923629 823552020 /nfs/dbraw/zinc/55/20/20/823552020.db2.gz WMHLEGKTGLTGKD-UHFFFAOYSA-N 1 1 397.567 4.166 20 0 GIADMO Cc1ccc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)s1 ZINC000060713264 823553748 /nfs/dbraw/zinc/55/37/48/823553748.db2.gz WCTPHJHIMVMHAP-ZDUSSCGKSA-N 1 1 389.496 4.261 20 0 GIADMO Cc1ccc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)s1 ZINC000060713264 823553749 /nfs/dbraw/zinc/55/37/49/823553749.db2.gz WCTPHJHIMVMHAP-ZDUSSCGKSA-N 1 1 389.496 4.261 20 0 GIADMO CC[N@H+]1CC[C@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)C1 ZINC000460979397 823554999 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393.944 4.338 20 0 GIADMO CCC1(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)CCCCC1 ZINC000461000282 823557478 /nfs/dbraw/zinc/55/74/78/823557478.db2.gz BYBHXHKQZJMYMB-FQEVSTJZSA-N 1 1 385.552 4.152 20 0 GIADMO FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190304703 823561099 /nfs/dbraw/zinc/56/10/99/823561099.db2.gz DADQSFFAAUSOEV-CQSZACIVSA-N 1 1 390.471 4.275 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124042810 823562356 /nfs/dbraw/zinc/56/23/56/823562356.db2.gz FGXCSEYBFWSCHS-NXEZZACHSA-N 1 1 375.387 4.058 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000124042563 823562442 /nfs/dbraw/zinc/56/24/42/823562442.db2.gz FGXCSEYBFWSCHS-VHSXEESVSA-N 1 1 375.387 4.058 20 0 GIADMO CC[C@H](C(=O)N[C@H]1c2ccccc2CC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000461033832 823562697 /nfs/dbraw/zinc/56/26/97/823562697.db2.gz MYMJAKCDZSXYFH-PKTZIBPZSA-N 1 1 392.543 4.107 20 0 GIADMO CC(C)[N@@H+](C)CCCNc1nc(-c2cnccn2)nc2sc3c(c21)CCCC3 ZINC000060858998 823562841 /nfs/dbraw/zinc/56/28/41/823562841.db2.gz QCEPZBFWWACSMS-UHFFFAOYSA-N 1 1 396.564 4.169 20 0 GIADMO CCN1CC[C@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303834 823563606 /nfs/dbraw/zinc/56/36/06/823563606.db2.gz HNENUMCDVPQNJU-OFNKIYASSA-N 1 1 393.575 4.087 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303834 823563607 /nfs/dbraw/zinc/56/36/07/823563607.db2.gz HNENUMCDVPQNJU-OFNKIYASSA-N 1 1 393.575 4.087 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cnn(CCC(C)C)c2C)cc1 ZINC000124070490 823564989 /nfs/dbraw/zinc/56/49/89/823564989.db2.gz FTNCTWOLNILWMU-INIZCTEOSA-N 1 1 379.508 4.223 20 0 GIADMO CCCc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000461046791 823565086 /nfs/dbraw/zinc/56/50/86/823565086.db2.gz SLCCDQXVDBYLTC-HNNXBMFYSA-N 1 1 397.466 4.119 20 0 GIADMO CCCc1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000461046791 823565087 /nfs/dbraw/zinc/56/50/87/823565087.db2.gz SLCCDQXVDBYLTC-HNNXBMFYSA-N 1 1 397.466 4.119 20 0 GIADMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC(Oc2ccccc2)CC1 ZINC000124088166 823566494 /nfs/dbraw/zinc/56/64/94/823566494.db2.gz TXEJAOTXIIFIMF-HXUWFJFHSA-N 1 1 396.506 4.108 20 0 GIADMO O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1)c1ccccc1 ZINC000060926633 823567280 /nfs/dbraw/zinc/56/72/80/823567280.db2.gz NEYHHEBWQOAWDE-RUZDIDTESA-N 1 1 398.506 4.398 20 0 GIADMO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000461064335 823568543 /nfs/dbraw/zinc/56/85/43/823568543.db2.gz RRRFFSDYYPWGES-DLBZAZTESA-N 1 1 393.369 4.484 20 0 GIADMO O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3)CC[C@H]2N1C1CC1 ZINC000411398471 823570270 /nfs/dbraw/zinc/57/02/70/823570270.db2.gz ORNDNKYUVKNFFE-SUMWQHHRSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3)CC[C@H]2N1C1CC1 ZINC000411398471 823570271 /nfs/dbraw/zinc/57/02/71/823570271.db2.gz ORNDNKYUVKNFFE-SUMWQHHRSA-N 1 1 397.744 4.078 20 0 GIADMO COc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC2 ZINC000411407196 823571005 /nfs/dbraw/zinc/57/10/05/823571005.db2.gz IBMNUFMKNNHFKP-UHFFFAOYSA-N 1 1 393.314 4.431 20 0 GIADMO CC(C)Oc1ncccc1C[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F ZINC000060999216 823571905 /nfs/dbraw/zinc/57/19/05/823571905.db2.gz LDAGLUPZMIESQU-UHFFFAOYSA-N 1 1 388.361 4.361 20 0 GIADMO COc1ccc(OC)c(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000061000065 823571924 /nfs/dbraw/zinc/57/19/24/823571924.db2.gz UPDSROOZACNWIJ-OALUTQOASA-N 1 1 382.548 4.472 20 0 GIADMO C[C@H](c1ccccn1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411420313 823572029 /nfs/dbraw/zinc/57/20/29/823572029.db2.gz LMYLEJQVKQXTRW-ZIAGYGMSSA-N 1 1 381.549 4.029 20 0 GIADMO C[C@H](c1ccccn1)[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411421527 823572276 /nfs/dbraw/zinc/57/22/76/823572276.db2.gz MUUBYMRTWHSMRX-VGSWGCGISA-N 1 1 379.529 4.432 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2)NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000461081449 823572483 /nfs/dbraw/zinc/57/24/83/823572483.db2.gz LWNQKNCMNPKAHB-FYYLOGMGSA-N 1 1 380.532 4.360 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000461081451 823572546 /nfs/dbraw/zinc/57/25/46/823572546.db2.gz LWNQKNCMNPKAHB-GMAHTHKFSA-N 1 1 380.532 4.360 20 0 GIADMO Cc1c(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000124156708 823572840 /nfs/dbraw/zinc/57/28/40/823572840.db2.gz UFWQYYBPIMQEHY-UHFFFAOYSA-N 1 1 390.314 4.423 20 0 GIADMO O=C(C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)Nc1ccc(F)c(F)c1F ZINC000061013725 823572979 /nfs/dbraw/zinc/57/29/79/823572979.db2.gz JNHGHPFYXNCFJT-UHFFFAOYSA-N 1 1 378.325 4.231 20 0 GIADMO O[C@H]1CC[N@@H+](Cc2cccc(N[C@H]3CCc4c3cccc4Br)c2)C1 ZINC000461085520 823573461 /nfs/dbraw/zinc/57/34/61/823573461.db2.gz KCDMKMRFJZNGLQ-JXFKEZNVSA-N 1 1 387.321 4.115 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000411432671 823573573 /nfs/dbraw/zinc/57/35/73/823573573.db2.gz ZAIIKWZSMKJKFH-MRXNPFEDSA-N 1 1 380.414 4.211 20 0 GIADMO C[C@@H](CC(F)F)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000411434416 823573722 /nfs/dbraw/zinc/57/37/22/823573722.db2.gz BTKNCHSHCZLEDF-YOEHRIQHSA-N 1 1 378.488 4.255 20 0 GIADMO C[C@@H](CC(F)F)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000411434416 823573725 /nfs/dbraw/zinc/57/37/25/823573725.db2.gz BTKNCHSHCZLEDF-YOEHRIQHSA-N 1 1 378.488 4.255 20 0 GIADMO CC(C)Oc1cccc([C@H](C)NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000124174950 823574679 /nfs/dbraw/zinc/57/46/79/823574679.db2.gz ZNSAOBYLKRZEMG-KPLVRAHFSA-N 1 1 385.552 4.193 20 0 GIADMO CN(Cc1ccc(F)cc1)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000411445910 823575040 /nfs/dbraw/zinc/57/50/40/823575040.db2.gz AYDPUEBJUNSAAR-QGZVFWFLSA-N 1 1 386.364 4.207 20 0 GIADMO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(OCc2ccccc2)c1 ZINC000190444603 823575169 /nfs/dbraw/zinc/57/51/69/823575169.db2.gz WXMWZGLKBSNXME-LJQANCHMSA-N 1 1 397.519 4.080 20 0 GIADMO FC(F)SCc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)o1 ZINC000124186140 823575554 /nfs/dbraw/zinc/57/55/54/823575554.db2.gz VDKMFZMUEIEBMU-CQSZACIVSA-N 1 1 396.507 4.433 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000061049778 823575607 /nfs/dbraw/zinc/57/56/07/823575607.db2.gz STOLSNJVHNRHAZ-GOSISDBHSA-N 1 1 399.579 4.036 20 0 GIADMO O=C1CCCN1C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000411449930 823575716 /nfs/dbraw/zinc/57/57/16/823575716.db2.gz SMPSLHLDLYPSQS-XMMPIXPASA-N 1 1 391.559 4.126 20 0 GIADMO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000190460983 823577716 /nfs/dbraw/zinc/57/77/16/823577716.db2.gz APYQGQVRTSMDMU-ZDUSSCGKSA-N 1 1 391.309 4.309 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCc3c(O)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000190470653 823578722 /nfs/dbraw/zinc/57/87/22/823578722.db2.gz LSDLOZYNGDBXQZ-QMHWCDLVSA-N 1 1 392.543 4.324 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@H+]1C ZINC000124239485 823580289 /nfs/dbraw/zinc/58/02/89/823580289.db2.gz RKYVLGFVEIJRDG-GHTZIAJQSA-N 1 1 388.515 4.094 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000461117302 823580554 /nfs/dbraw/zinc/58/05/54/823580554.db2.gz SDVCNNVLZTYALL-MRXNPFEDSA-N 1 1 382.470 4.317 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCc2ccccc2Cl)CC[N@H+]1C ZINC000124243818 823580656 /nfs/dbraw/zinc/58/06/56/823580656.db2.gz YTUDZVLXLMSXJN-AEFFLSMTSA-N 1 1 386.923 4.474 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000190493710 823580835 /nfs/dbraw/zinc/58/08/35/823580835.db2.gz PWEZUJNMUARZDG-UHFFFAOYSA-N 1 1 395.503 4.337 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000190493710 823580839 /nfs/dbraw/zinc/58/08/39/823580839.db2.gz PWEZUJNMUARZDG-UHFFFAOYSA-N 1 1 395.503 4.337 20 0 GIADMO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000061163249 823581620 /nfs/dbraw/zinc/58/16/20/823581620.db2.gz TYQODLWWAOGXSK-UHFFFAOYSA-N 1 1 379.342 4.205 20 0 GIADMO CC(C)[N@@H+](C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000061165445 823581933 /nfs/dbraw/zinc/58/19/33/823581933.db2.gz YRDLRUSSGYWCII-NRFANRHFSA-N 1 1 375.459 4.305 20 0 GIADMO COc1ccc(C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C2CC2)cc1 ZINC000061171043 823582103 /nfs/dbraw/zinc/58/21/03/823582103.db2.gz WXROXCJNYCRYMH-INIZCTEOSA-N 1 1 396.314 4.406 20 0 GIADMO C[N@H+](Cc1ccncc1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190508739 823582255 /nfs/dbraw/zinc/58/22/55/823582255.db2.gz RTPZUQQDVYUCSB-KRWDZBQOSA-N 1 1 391.309 4.034 20 0 GIADMO C[N@@H+](Cc1ccncc1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190508739 823582257 /nfs/dbraw/zinc/58/22/57/823582257.db2.gz RTPZUQQDVYUCSB-KRWDZBQOSA-N 1 1 391.309 4.034 20 0 GIADMO COc1ccccc1SCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000124271584 823582688 /nfs/dbraw/zinc/58/26/88/823582688.db2.gz WBVNFZQGRSQDHZ-GOSISDBHSA-N 1 1 390.593 4.290 20 0 GIADMO CCOc1cc(C[NH2+][C@H](C)c2nc3ccccc3n2C)ccc1OC(F)F ZINC000124274296 823582971 /nfs/dbraw/zinc/58/29/71/823582971.db2.gz HATWYAXDXAMQPS-CYBMUJFWSA-N 1 1 375.419 4.424 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@@H](CC(C)C)c1ccccc1)[NH+](C)C ZINC000061189045 823583030 /nfs/dbraw/zinc/58/30/30/823583030.db2.gz QXHFFUXDIBXQLP-LEWJYISDSA-N 1 1 383.536 4.385 20 0 GIADMO Brc1ccc(-c2nnc(C[N@H+]3CC[C@H](Cc4ccccc4)C3)o2)o1 ZINC000124300738 823585266 /nfs/dbraw/zinc/58/52/66/823585266.db2.gz NHKWBQIFSXEOFQ-CQSZACIVSA-N 1 1 388.265 4.157 20 0 GIADMO CCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)cs1 ZINC000411531765 823585277 /nfs/dbraw/zinc/58/52/77/823585277.db2.gz LIDVWFZNJMZONA-LLVKDONJSA-N 1 1 382.327 4.147 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(Br)cn1 ZINC000411534293 823585765 /nfs/dbraw/zinc/58/57/65/823585765.db2.gz PCESJOIUNXPFKI-IGOJGBNBSA-N 1 1 388.353 4.090 20 0 GIADMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)CCO1 ZINC000124317451 823586732 /nfs/dbraw/zinc/58/67/32/823586732.db2.gz OSPGOXYRWQCBLI-SFHVURJKSA-N 1 1 379.504 4.071 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-c2ncco2)cc1F ZINC000411552180 823587472 /nfs/dbraw/zinc/58/74/72/823587472.db2.gz OMMRLSAAAWOUKM-VGSWGCGISA-N 1 1 379.479 4.481 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552180 823587476 /nfs/dbraw/zinc/58/74/76/823587476.db2.gz OMMRLSAAAWOUKM-VGSWGCGISA-N 1 1 379.479 4.481 20 0 GIADMO COc1ccccc1COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000061255257 823587544 /nfs/dbraw/zinc/58/75/44/823587544.db2.gz VYBLSTYIPZZXBF-FQEVSTJZSA-N 1 1 377.912 4.137 20 0 GIADMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553276 823587761 /nfs/dbraw/zinc/58/77/61/823587761.db2.gz QVUPQYZEWFBSEU-FXAWDEMLSA-N 1 1 385.939 4.169 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccnn1C(C)(C)C ZINC000190580293 823588017 /nfs/dbraw/zinc/58/80/17/823588017.db2.gz MMENPGOXEFZSAI-UHFFFAOYSA-N 1 1 395.507 4.185 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccnn1C(C)(C)C ZINC000190580293 823588018 /nfs/dbraw/zinc/58/80/18/823588018.db2.gz MMENPGOXEFZSAI-UHFFFAOYSA-N 1 1 395.507 4.185 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000190583996 823588499 /nfs/dbraw/zinc/58/84/99/823588499.db2.gz RRBOEKHXCKSQCH-YOEHRIQHSA-N 1 1 385.474 4.107 20 0 GIADMO COC(=O)C[C@](C)([NH2+]Cc1ccc(Cl)c(Br)c1)c1ccccn1 ZINC000411567499 823588534 /nfs/dbraw/zinc/58/85/34/823588534.db2.gz ZAVQWMVIBWVDSI-KRWDZBQOSA-N 1 1 397.700 4.066 20 0 GIADMO COC(=O)c1c(C[NH+]2CCSCC2)nc2ccccc2c1-c1ccccc1 ZINC000061283605 823588984 /nfs/dbraw/zinc/58/89/84/823588984.db2.gz BMHKRCZJEQPOFV-UHFFFAOYSA-N 1 1 378.497 4.237 20 0 GIADMO COc1ccc(CCCC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061284689 823589125 /nfs/dbraw/zinc/58/91/25/823589125.db2.gz DPFNLLUURSRZTN-UHFFFAOYSA-N 1 1 384.545 4.205 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(Br)s1 ZINC000061285429 823589399 /nfs/dbraw/zinc/58/93/99/823589399.db2.gz HEHBJZIQWIGKMB-UHFFFAOYSA-N 1 1 397.363 4.312 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000190597848 823589917 /nfs/dbraw/zinc/58/99/17/823589917.db2.gz VFNVNNDXNDTZAU-UHFFFAOYSA-N 1 1 396.457 4.311 20 0 GIADMO COC(=O)C[C@](C)([NH2+]Cc1ccc(-c2ncco2)cc1F)c1cccc(OC)c1 ZINC000411613020 823590859 /nfs/dbraw/zinc/59/08/59/823590859.db2.gz PGKKCHXKBNXGSA-QFIPXVFZSA-N 1 1 398.434 4.057 20 0 GIADMO CCCOC(=O)c1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000061312101 823591228 /nfs/dbraw/zinc/59/12/28/823591228.db2.gz YRGQGBWAVRBWNO-KRWDZBQOSA-N 1 1 375.513 4.030 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CCOCc2ccccc2)cc1 ZINC000124375789 823591535 /nfs/dbraw/zinc/59/15/35/823591535.db2.gz WUUGDCPHUPIAQQ-GOSISDBHSA-N 1 1 392.503 4.100 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)cc1F ZINC000411622537 823591726 /nfs/dbraw/zinc/59/17/26/823591726.db2.gz RNJHAKOMGOQVRO-GOSISDBHSA-N 1 1 393.462 4.281 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(-c3nccs3)cc2)cn1 ZINC000124416566 823595033 /nfs/dbraw/zinc/59/50/33/823595033.db2.gz HLLYWYQIRIVJJL-UHFFFAOYSA-N 1 1 390.472 4.021 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc(F)cc(F)c1Br ZINC000190656916 823595739 /nfs/dbraw/zinc/59/57/39/823595739.db2.gz FWZDATCLJJLEPT-GFCCVEGCSA-N 1 1 390.272 4.065 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000411662990 823595834 /nfs/dbraw/zinc/59/58/34/823595834.db2.gz OUJFSDFKYPFZRT-KOUHRCEDSA-N 1 1 388.552 4.066 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1 ZINC000461197660 823596942 /nfs/dbraw/zinc/59/69/42/823596942.db2.gz PGDTXKXPUGREQX-UHFFFAOYSA-N 1 1 382.430 4.232 20 0 GIADMO Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000124460054 823598321 /nfs/dbraw/zinc/59/83/21/823598321.db2.gz YCOVKJZJKXBYGV-UHFFFAOYSA-N 1 1 392.425 4.149 20 0 GIADMO COc1ccc2ccccc2c1C[N@@H+](Cc1cc(=O)c(O)co1)C1CCCC1 ZINC000124465447 823598944 /nfs/dbraw/zinc/59/89/44/823598944.db2.gz ZDMRTNAESMDZFY-UHFFFAOYSA-N 1 1 379.456 4.452 20 0 GIADMO CCC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)C1CCC1 ZINC000411712541 823598961 /nfs/dbraw/zinc/59/89/61/823598961.db2.gz ZVVQYQKFUFBXJX-OXJNMPFZSA-N 1 1 385.552 4.070 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cnc2ccc(Br)cn12 ZINC000461209153 823598974 /nfs/dbraw/zinc/59/89/74/823598974.db2.gz BHKPQYCYSDTWRO-UHFFFAOYSA-N 1 1 389.297 4.073 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H](c2ccncc2)C1)Nc1ccc(Br)cc1 ZINC000411726833 823600614 /nfs/dbraw/zinc/60/06/14/823600614.db2.gz IFSCUFPKYSYLPS-INIZCTEOSA-N 1 1 388.309 4.052 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000411731553 823600713 /nfs/dbraw/zinc/60/07/13/823600713.db2.gz QUEPJACIEMPAFQ-QGZVFWFLSA-N 1 1 388.430 4.434 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000411731553 823600717 /nfs/dbraw/zinc/60/07/17/823600717.db2.gz QUEPJACIEMPAFQ-QGZVFWFLSA-N 1 1 388.430 4.434 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411737072 823600955 /nfs/dbraw/zinc/60/09/55/823600955.db2.gz OOZYCTOIOAQPRJ-JOCHJYFZSA-N 1 1 384.426 4.047 20 0 GIADMO CSc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000411733649 823601008 /nfs/dbraw/zinc/60/10/08/823601008.db2.gz GQDZWMHHMSEOCL-QLFBSQMISA-N 1 1 377.472 4.201 20 0 GIADMO CCn1c2nnc(C[N@H+](C(C)C)[C@H](C)c3ccccc3)n2c2ccccc2c1=O ZINC000411742770 823601504 /nfs/dbraw/zinc/60/15/04/823601504.db2.gz FOKSDQPXKLNXFW-QGZVFWFLSA-N 1 1 389.503 4.036 20 0 GIADMO CCn1c2nnc(C[N@@H+](C(C)C)[C@H](C)c3ccccc3)n2c2ccccc2c1=O ZINC000411742770 823601508 /nfs/dbraw/zinc/60/15/08/823601508.db2.gz FOKSDQPXKLNXFW-QGZVFWFLSA-N 1 1 389.503 4.036 20 0 GIADMO COCC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCSC1 ZINC000411758566 823602951 /nfs/dbraw/zinc/60/29/51/823602951.db2.gz OIIYNLVJKRUNSH-CYBMUJFWSA-N 1 1 391.364 4.166 20 0 GIADMO Cc1sc(C(C)(C)[NH2+]CC(=O)N2CCCC[C@H]2C)nc1-c1ccccc1F ZINC000411775096 823604117 /nfs/dbraw/zinc/60/41/17/823604117.db2.gz QUOGUNZMIUMLMS-CQSZACIVSA-N 1 1 389.540 4.483 20 0 GIADMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3ncco3)cc2F)cc1 ZINC000411774775 823604119 /nfs/dbraw/zinc/60/41/19/823604119.db2.gz XTUBOIWYCWALRB-AWEZNQCLSA-N 1 1 388.464 4.125 20 0 GIADMO COC(=O)c1cc(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)cs1 ZINC000411780452 823604271 /nfs/dbraw/zinc/60/42/71/823604271.db2.gz FKLQRVVGAJGPPF-UHFFFAOYSA-N 1 1 390.452 4.390 20 0 GIADMO COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000461255051 823605654 /nfs/dbraw/zinc/60/56/54/823605654.db2.gz YTSYPQZOUFPYKE-NVXWUHKLSA-N 1 1 388.458 4.063 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000461256945 823606181 /nfs/dbraw/zinc/60/61/81/823606181.db2.gz KUHQFKPERWOQQX-OAQYLSRUSA-N 1 1 385.552 4.152 20 0 GIADMO Cc1nc2cc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)ccc2n1-c1ccccc1 ZINC000461258985 823606527 /nfs/dbraw/zinc/60/65/27/823606527.db2.gz DOLHAFGAOVEOCM-FQEVSTJZSA-N 1 1 390.531 4.280 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061631934 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O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000125399950 823673388 /nfs/dbraw/zinc/67/33/88/823673388.db2.gz SJTQDYWDMGKONA-LADGPHEKSA-N 1 1 385.511 4.326 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000125399950 823673389 /nfs/dbraw/zinc/67/33/89/823673389.db2.gz SJTQDYWDMGKONA-LADGPHEKSA-N 1 1 385.511 4.326 20 0 GIADMO O=C(C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)NCCCc1ccccc1 ZINC000063471167 823674287 /nfs/dbraw/zinc/67/42/87/823674287.db2.gz YRWBITHKNYQMCG-UHFFFAOYSA-N 1 1 394.465 4.393 20 0 GIADMO O=C(C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1)NCc1ccccc1F ZINC000063471166 823674343 /nfs/dbraw/zinc/67/43/43/823674343.db2.gz BQLALFXRFOTRBN-UHFFFAOYSA-N 1 1 384.401 4.099 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191344423 823674516 /nfs/dbraw/zinc/67/45/16/823674516.db2.gz INNNBVQLRZASCJ-UHFFFAOYSA-N 1 1 389.499 4.082 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191344423 823674519 /nfs/dbraw/zinc/67/45/19/823674519.db2.gz INNNBVQLRZASCJ-UHFFFAOYSA-N 1 1 389.499 4.082 20 0 GIADMO COc1ccccc1NC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000125423118 823675048 /nfs/dbraw/zinc/67/50/48/823675048.db2.gz NBQLUZXYJGSHKY-UHFFFAOYSA-N 1 1 398.894 4.475 20 0 GIADMO COc1ccc([C@H]([NH2+]CC(=O)NCc2ccccc2C)c2ccc(C)cc2)cc1 ZINC000063479323 823675189 /nfs/dbraw/zinc/67/51/89/823675189.db2.gz CHQVGYYOOHLKBD-RUZDIDTESA-N 1 1 388.511 4.307 20 0 GIADMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000125473634 823679020 /nfs/dbraw/zinc/67/90/20/823679020.db2.gz MKWULBWRHXXFIY-UHFFFAOYSA-N 1 1 393.462 4.009 20 0 GIADMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccccc3-c3cccs3)C2)CC1 ZINC000125480203 823679559 /nfs/dbraw/zinc/67/95/59/823679559.db2.gz HCAZDXKFJFKHJK-GOSISDBHSA-N 1 1 398.576 4.049 20 0 GIADMO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125479675 823679584 /nfs/dbraw/zinc/67/95/84/823679584.db2.gz INFGRWHWELOGIB-KRWDZBQOSA-N 1 1 381.520 4.376 20 0 GIADMO 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Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1C ZINC000063723632 823691696 /nfs/dbraw/zinc/69/16/96/823691696.db2.gz AYDJZMBXKVGALN-UHFFFAOYSA-N 1 1 392.543 4.481 20 0 GIADMO Cc1ccc(CC[N@H+](CC(=O)N2CCc3ccccc3C2)Cc2ccco2)cc1 ZINC000461750996 823691853 /nfs/dbraw/zinc/69/18/53/823691853.db2.gz OTNKYZYJNLBPHQ-UHFFFAOYSA-N 1 1 388.511 4.218 20 0 GIADMO Cc1ccc(CC[N@@H+](CC(=O)N2CCc3ccccc3C2)Cc2ccco2)cc1 ZINC000461750996 823691857 /nfs/dbraw/zinc/69/18/57/823691857.db2.gz OTNKYZYJNLBPHQ-UHFFFAOYSA-N 1 1 388.511 4.218 20 0 GIADMO Cc1cc(Br)ccc1SCC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063726336 823692169 /nfs/dbraw/zinc/69/21/69/823692169.db2.gz CXBGTMUDOLCIDM-UHFFFAOYSA-N 1 1 399.398 4.182 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000063727615 823692189 /nfs/dbraw/zinc/69/21/89/823692189.db2.gz NVBHUEJCQBVJOI-UHFFFAOYSA-N 1 1 395.334 4.126 20 0 GIADMO CCCc1c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cnn1Cc1ccccc1 ZINC000063758292 823693808 /nfs/dbraw/zinc/69/38/08/823693808.db2.gz VWWRRKILHDBDFS-HXUWFJFHSA-N 1 1 396.579 4.126 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000063758322 823693814 /nfs/dbraw/zinc/69/38/14/823693814.db2.gz XBHWQKKUZMDCDC-CQSZACIVSA-N 1 1 393.325 4.437 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC(=O)NC1CCCC1 ZINC000063763863 823694154 /nfs/dbraw/zinc/69/41/54/823694154.db2.gz BPHMVTIWOOOIKH-UHFFFAOYSA-N 1 1 387.499 4.184 20 0 GIADMO COc1ccccc1Nc1ncccc1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000063771802 823694748 /nfs/dbraw/zinc/69/47/48/823694748.db2.gz LMNWRSBZQMJCMW-UHFFFAOYSA-N 1 1 396.535 4.170 20 0 GIADMO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000461788116 823695542 /nfs/dbraw/zinc/69/55/42/823695542.db2.gz XAJQKBFNIUTDLL-UHFFFAOYSA-N 1 1 387.443 4.066 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1cccnc1 ZINC000125675223 823695628 /nfs/dbraw/zinc/69/56/28/823695628.db2.gz NWGQDIRJJSAXIV-JOCHJYFZSA-N 1 1 397.519 4.398 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1cccnc1 ZINC000125675223 823695629 /nfs/dbraw/zinc/69/56/29/823695629.db2.gz NWGQDIRJJSAXIV-JOCHJYFZSA-N 1 1 397.519 4.398 20 0 GIADMO CCC1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CCC1 ZINC000412973763 823695690 /nfs/dbraw/zinc/69/56/90/823695690.db2.gz RDCFAHCXTRXNAE-UHFFFAOYSA-N 1 1 379.342 4.110 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(C)s1 ZINC000461794910 823696468 /nfs/dbraw/zinc/69/64/68/823696468.db2.gz BVROPVMKEYHYOB-INIZCTEOSA-N 1 1 377.554 4.482 20 0 GIADMO CC[C@@H](c1nnc(SCCC(C)(C)OC)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000412981346 823696694 /nfs/dbraw/zinc/69/66/94/823696694.db2.gz GXZTXQYCGMXBGB-KRWDZBQOSA-N 1 1 392.569 4.196 20 0 GIADMO CC[C@H](c1nnc(SCCc2cccnc2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000412982251 823697043 /nfs/dbraw/zinc/69/70/43/823697043.db2.gz JUKHSXXWJOQFPS-LJQANCHMSA-N 1 1 397.548 4.018 20 0 GIADMO C[N@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125698136 823697839 /nfs/dbraw/zinc/69/78/39/823697839.db2.gz VLWXGTKSDGMGBD-ZDUSSCGKSA-N 1 1 390.108 4.316 20 0 GIADMO C[N@@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125698136 823697842 /nfs/dbraw/zinc/69/78/42/823697842.db2.gz VLWXGTKSDGMGBD-ZDUSSCGKSA-N 1 1 390.108 4.316 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)CC2)c1 ZINC000191545114 823698060 /nfs/dbraw/zinc/69/80/60/823698060.db2.gz MOAGDZCMBUIEAJ-IEBWSBKVSA-N 1 1 396.535 4.078 20 0 GIADMO COc1cccc(-c2noc([C@H](C)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)n2)c1 ZINC000191564277 823700344 /nfs/dbraw/zinc/70/03/44/823700344.db2.gz NDFYEAIMMDGGAS-QKLQHJQFSA-N 1 1 392.503 4.231 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCCSC[C@@H]1C[N@H+](C)CCO1 ZINC000574320972 823702288 /nfs/dbraw/zinc/70/22/88/823702288.db2.gz BBDSYFKQUFDQAT-INIZCTEOSA-N 1 1 399.000 4.247 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000574320972 823702289 /nfs/dbraw/zinc/70/22/89/823702289.db2.gz BBDSYFKQUFDQAT-INIZCTEOSA-N 1 1 399.000 4.247 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1)[C@@H]1CCSC1 ZINC000125750273 823703956 /nfs/dbraw/zinc/70/39/56/823703956.db2.gz HRPOAAYHVZVESE-CYBMUJFWSA-N 1 1 380.435 4.147 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1)[C@@H]1CCSC1 ZINC000125750273 823703960 /nfs/dbraw/zinc/70/39/60/823703960.db2.gz HRPOAAYHVZVESE-CYBMUJFWSA-N 1 1 380.435 4.147 20 0 GIADMO C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1nc(Cc2ccccc2)no1 ZINC000191596775 823707435 /nfs/dbraw/zinc/70/74/35/823707435.db2.gz CAUSTKPRVNAXQL-WFXMLNOXSA-N 1 1 376.504 4.147 20 0 GIADMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2nc(-c3ccccn3)n(C)c2=S)c1 ZINC000163435344 823708903 /nfs/dbraw/zinc/70/89/03/823708903.db2.gz PYTUSXZZZZGNKX-LJQANCHMSA-N 1 1 379.533 4.425 20 0 GIADMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2nc(-c3ccccn3)n(C)c2=S)c1 ZINC000163435344 823708906 /nfs/dbraw/zinc/70/89/06/823708906.db2.gz PYTUSXZZZZGNKX-LJQANCHMSA-N 1 1 379.533 4.425 20 0 GIADMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000461840472 823710568 /nfs/dbraw/zinc/71/05/68/823710568.db2.gz UWDIQEXXOFXRQA-CQSZACIVSA-N 1 1 376.859 4.359 20 0 GIADMO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000125789715 823711115 /nfs/dbraw/zinc/71/11/15/823711115.db2.gz FTZNDPTULBGLRO-HIFRSBDPSA-N 1 1 394.924 4.197 20 0 GIADMO CC(C)Oc1ccc(N(C)C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000191609029 823711735 /nfs/dbraw/zinc/71/17/35/823711735.db2.gz MEERYOBPAOZVQA-OALUTQOASA-N 1 1 396.531 4.360 20 0 GIADMO CCc1c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000191616518 823713889 /nfs/dbraw/zinc/71/38/89/823713889.db2.gz BINHDAZBDBQFLI-ZBFHGGJFSA-N 1 1 389.931 4.035 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C2CC2)cc1 ZINC000191621166 823716478 /nfs/dbraw/zinc/71/64/78/823716478.db2.gz UXAYQCNWRNYLJI-OAQYLSRUSA-N 1 1 377.532 4.228 20 0 GIADMO CC[C@@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)s1 ZINC000163542964 823719259 /nfs/dbraw/zinc/71/92/59/823719259.db2.gz NDLPRKIKODFNOL-OAHLLOKOSA-N 1 1 386.005 4.069 20 0 GIADMO CCc1c(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cnn1-c1ccccc1C ZINC000191633647 823720211 /nfs/dbraw/zinc/72/02/11/823720211.db2.gz CTMGOPFYBSPJJB-UHFFFAOYSA-N 1 1 395.551 4.225 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cnc(C(=O)OC)c(Cl)c2)cc1 ZINC000574404119 823720717 /nfs/dbraw/zinc/72/07/17/823720717.db2.gz LCMJAZXQQRVAEK-UHFFFAOYSA-N 1 1 389.883 4.006 20 0 GIADMO CCN(c1ccc(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)cc1)C(C)C ZINC000191647097 823723205 /nfs/dbraw/zinc/72/32/05/823723205.db2.gz FRWMKUUJNPFWMR-UHFFFAOYSA-N 1 1 380.536 4.134 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000125842705 823726198 /nfs/dbraw/zinc/72/61/98/823726198.db2.gz YSNHYBCNEQXNBM-PGRDOPGGSA-N 1 1 394.519 4.152 20 0 GIADMO CC(C)(C)OCc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000125859398 823731199 /nfs/dbraw/zinc/73/11/99/823731199.db2.gz YQHGSOAWTZVUBR-IFMALSPDSA-N 1 1 399.579 4.160 20 0 GIADMO Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc3)o2)c1 ZINC000574447806 823733226 /nfs/dbraw/zinc/73/32/26/823733226.db2.gz ZRFWJOOQXCYZFI-KRWDZBQOSA-N 1 1 392.503 4.171 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000163685865 823736743 /nfs/dbraw/zinc/73/67/43/823736743.db2.gz OIODCTTXQNMAFY-MRXNPFEDSA-N 1 1 378.607 4.263 20 0 GIADMO CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCCN1CCN(C)CC1 ZINC000461888760 823739613 /nfs/dbraw/zinc/73/96/13/823739613.db2.gz LXICBAGHSYOWJL-IBGZPJMESA-N 1 1 386.411 4.178 20 0 GIADMO CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCCN1CCN(C)CC1 ZINC000461888761 823739925 /nfs/dbraw/zinc/73/99/25/823739925.db2.gz LXICBAGHSYOWJL-LJQANCHMSA-N 1 1 386.411 4.178 20 0 GIADMO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CC[NH+](C3CC3)CC2)cc1 ZINC000125936753 823748812 /nfs/dbraw/zinc/74/88/12/823748812.db2.gz LRSHTSLFDPSRJK-UHFFFAOYSA-N 1 1 399.922 4.159 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCSC3(CCC3)CC2)[C@H]1c1cccs1 ZINC000413319069 823751406 /nfs/dbraw/zinc/75/14/06/823751406.db2.gz CLLUEIYAJYUHPG-AEFFLSMTSA-N 1 1 393.622 4.202 20 0 GIADMO C[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(Br)c1 ZINC000461915200 823752536 /nfs/dbraw/zinc/75/25/36/823752536.db2.gz DVXLVRQWCTXDFF-JKSUJKDBSA-N 1 1 381.358 4.323 20 0 GIADMO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125958029 823752692 /nfs/dbraw/zinc/75/26/92/823752692.db2.gz IAAAEWRVNIINAC-XZOQPEGZSA-N 1 1 389.474 4.433 20 0 GIADMO Cc1noc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)n1 ZINC000064143279 823754400 /nfs/dbraw/zinc/75/44/00/823754400.db2.gz IKWHSMGIEUAARE-NSHDSACASA-N 1 1 394.262 4.114 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)n1 ZINC000064143279 823754411 /nfs/dbraw/zinc/75/44/11/823754411.db2.gz IKWHSMGIEUAARE-NSHDSACASA-N 1 1 394.262 4.114 20 0 GIADMO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)CC(F)(F)F ZINC000413336523 823754945 /nfs/dbraw/zinc/75/49/45/823754945.db2.gz VIQNUMYOVFHBRP-OAHLLOKOSA-N 1 1 397.441 4.299 20 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823776945 /nfs/dbraw/zinc/77/69/45/823776945.db2.gz VGCVGQOZOBYABO-YYAJDYIMSA-N 1 1 397.485 4.323 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C(=C/c2ccc(F)cc2)c2cccs2)C1 ZINC000164098290 823777253 /nfs/dbraw/zinc/77/72/53/823777253.db2.gz RVUYUMHACSMMBR-XWURAQLGSA-N 1 1 384.520 4.371 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000164094673 823777478 /nfs/dbraw/zinc/77/74/78/823777478.db2.gz BWBBXJAYMCKRRO-YLJYHZDGSA-N 1 1 399.535 4.069 20 0 GIADMO CCCN(C(=O)c1cc(C)c(F)c(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000164101207 823777993 /nfs/dbraw/zinc/77/79/93/823777993.db2.gz SKSOYQXMMQEPFD-UHFFFAOYSA-N 1 1 398.526 4.371 20 0 GIADMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc(Cl)c1OC ZINC000574606491 823778615 /nfs/dbraw/zinc/77/86/15/823778615.db2.gz KIYRIOLQRSZDJN-WSTZPKSXSA-N 1 1 387.907 4.362 20 0 GIADMO Cc1noc(C)c1C(C)(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000574624061 823784283 /nfs/dbraw/zinc/78/42/83/823784283.db2.gz BPFRGYCCNMZBQU-GOSISDBHSA-N 1 1 389.927 4.176 20 0 GIADMO COC(=O)c1coc([C@@H](C)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000574634244 823786945 /nfs/dbraw/zinc/78/69/45/823786945.db2.gz SBWLTNQCPGPYQU-MLGOLLRUSA-N 1 1 384.398 4.039 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000413497169 823787582 /nfs/dbraw/zinc/78/75/82/823787582.db2.gz LERRUSYYOPBIHS-INMHGKMJSA-N 1 1 386.458 4.095 20 0 GIADMO CC[C@@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccc2c(c1)OCCO2 ZINC000164233216 823787996 /nfs/dbraw/zinc/78/79/96/823787996.db2.gz XBKOHCCIHKSECT-IAGOWNOFSA-N 1 1 398.532 4.036 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CCC3=O)[C@@H]1c1cccs1 ZINC000574649334 823791006 /nfs/dbraw/zinc/79/10/06/823791006.db2.gz DVFWFQLNRDRTJI-MGPUTAFESA-N 1 1 383.517 4.082 20 0 GIADMO C[C@@H]1SCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000574654242 823791628 /nfs/dbraw/zinc/79/16/28/823791628.db2.gz NVKYSLLVSHWVEA-NNMXDRDESA-N 1 1 380.557 4.327 20 0 GIADMO C[C@@H]1SCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000574654240 823791685 /nfs/dbraw/zinc/79/16/85/823791685.db2.gz NVKYSLLVSHWVEA-IPJJNNNSSA-N 1 1 380.557 4.327 20 0 GIADMO COCc1cc([C@H](C)[NH2+]Cc2nccn2CCc2ccccc2)ccc1OC ZINC000164290509 823793344 /nfs/dbraw/zinc/79/33/44/823793344.db2.gz FBZKUGZKIQRVHP-SFHVURJKSA-N 1 1 379.504 4.132 20 0 GIADMO COc1ccccc1CN(Cc1cccs1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000462008923 823793395 /nfs/dbraw/zinc/79/33/95/823793395.db2.gz BLZSYQHMHWPVLV-KRWDZBQOSA-N 1 1 389.565 4.197 20 0 GIADMO CSCC[C@@H]([NH2+][C@@H](C)c1cnc2ccsc2c1)c1nnc2ccccn21 ZINC000164291814 823793890 /nfs/dbraw/zinc/79/38/90/823793890.db2.gz WFADOFIZAJLHIZ-XJKSGUPXSA-N 1 1 383.546 4.484 20 0 GIADMO C[C@@H](CC(F)F)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413537720 823794235 /nfs/dbraw/zinc/79/42/35/823794235.db2.gz HBAXATMGFWHSJT-HOCLYGCPSA-N 1 1 392.412 4.191 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c[nH]c3cc(Cl)ccc32)cc1F ZINC000064337263 823795646 /nfs/dbraw/zinc/79/56/46/823795646.db2.gz ZAKVBKKAEQYWOU-UHFFFAOYSA-N 1 1 382.826 4.385 20 0 GIADMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000462019770 823796557 /nfs/dbraw/zinc/79/65/57/823796557.db2.gz ZWZPHXUAKYDGGH-HYBUGGRVSA-N 1 1 392.543 4.105 20 0 GIADMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000462019770 823796565 /nfs/dbraw/zinc/79/65/65/823796565.db2.gz ZWZPHXUAKYDGGH-HYBUGGRVSA-N 1 1 392.543 4.105 20 0 GIADMO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413556661 823796583 /nfs/dbraw/zinc/79/65/83/823796583.db2.gz SYSRYZMUMVLBNZ-SJLPKXTDSA-N 1 1 385.474 4.176 20 0 GIADMO C[C@@H](CC(=O)N(C)CCC[N@@H+](C)Cc1ccncc1)Cc1ccc(Cl)cc1 ZINC000574677566 823798012 /nfs/dbraw/zinc/79/80/12/823798012.db2.gz HVDGLSGURULAEM-GOSISDBHSA-N 1 1 387.955 4.284 20 0 GIADMO Cc1n[nH]cc1C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000126155869 823801477 /nfs/dbraw/zinc/80/14/77/823801477.db2.gz YBEJEPCTADITGB-LLVKDONJSA-N 1 1 377.311 4.455 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCc4c(O)cccc43)C2)s1 ZINC000574697448 823803256 /nfs/dbraw/zinc/80/32/56/823803256.db2.gz JNNDZXKLCAFURP-DYESRHJHSA-N 1 1 398.572 4.163 20 0 GIADMO CC[C@@H](C(=O)N1CCC(OC2CCC(C)CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000574698615 823803299 /nfs/dbraw/zinc/80/32/99/823803299.db2.gz MCNOSTANDVTZGB-IRSIHTCSSA-N 1 1 386.580 4.483 20 0 GIADMO CC(C)n1cccc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000126165653 823803644 /nfs/dbraw/zinc/80/36/44/823803644.db2.gz GQCLDTUSMWGDLN-UHFFFAOYSA-N 1 1 393.453 4.436 20 0 GIADMO C[C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1c(Cl)cccc1Cl ZINC000462033302 823804140 /nfs/dbraw/zinc/80/41/40/823804140.db2.gz VPRKMIGJWYQIOO-GFCCVEGCSA-N 1 1 382.291 4.111 20 0 GIADMO CCc1cccc(Oc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cn2)c1 ZINC000462035984 823805453 /nfs/dbraw/zinc/80/54/53/823805453.db2.gz LSPSQYLRTKNPQL-UHFFFAOYSA-N 1 1 392.459 4.272 20 0 GIADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574711247 823805815 /nfs/dbraw/zinc/80/58/15/823805815.db2.gz SHSVYZCMPXZDIM-TZMCWYRMSA-N 1 1 395.334 4.180 20 0 GIADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574711247 823805822 /nfs/dbraw/zinc/80/58/22/823805822.db2.gz SHSVYZCMPXZDIM-TZMCWYRMSA-N 1 1 395.334 4.180 20 0 GIADMO Cc1ccc(CCCC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574710754 823806129 /nfs/dbraw/zinc/80/61/29/823806129.db2.gz NZCSCZAUFDBGKC-VWLOTQADSA-N 1 1 376.544 4.442 20 0 GIADMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000164514255 823806496 /nfs/dbraw/zinc/80/64/96/823806496.db2.gz UTSQYDUFINCFJS-GFCCVEGCSA-N 1 1 394.302 4.114 20 0 GIADMO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)ns1 ZINC000462039603 823807755 /nfs/dbraw/zinc/80/77/55/823807755.db2.gz PFGDUEYCDAVSQU-IBGZPJMESA-N 1 1 377.513 4.205 20 0 GIADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)ns1 ZINC000462039603 823807761 /nfs/dbraw/zinc/80/77/61/823807761.db2.gz PFGDUEYCDAVSQU-IBGZPJMESA-N 1 1 377.513 4.205 20 0 GIADMO COc1ccc2c(c1)OC[C@H](C(=O)Nc1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)C2 ZINC000064393243 823808911 /nfs/dbraw/zinc/80/89/11/823808911.db2.gz PRZSPYNHOVFMOO-YLJYHZDGSA-N 1 1 394.515 4.117 20 0 GIADMO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462062501 823817433 /nfs/dbraw/zinc/81/74/33/823817433.db2.gz YJUGIXOSZBBUKK-OAHLLOKOSA-N 1 1 396.318 4.328 20 0 GIADMO CC(C)c1nn(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(=S)n1C ZINC000164817301 823821337 /nfs/dbraw/zinc/82/13/37/823821337.db2.gz SZPJUFLRCFAQEB-WOJBJXKFSA-N 1 1 399.608 4.018 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCC(=O)c3cccs3)C2)s1 ZINC000574777896 823824106 /nfs/dbraw/zinc/82/41/06/823824106.db2.gz ABLSPPMLBQRJDA-MRXNPFEDSA-N 1 1 390.574 4.061 20 0 GIADMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165000847 823829377 /nfs/dbraw/zinc/82/93/77/823829377.db2.gz RZOFXTGSRQPEKR-OAHLLOKOSA-N 1 1 382.435 4.208 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192017332 823835683 /nfs/dbraw/zinc/83/56/83/823835683.db2.gz GGQKGMYFLUTWDX-FQEVSTJZSA-N 1 1 381.520 4.207 20 0 GIADMO O=C(Cc1ccc2ccccc2c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064522255 823835958 /nfs/dbraw/zinc/83/59/58/823835958.db2.gz CVLMLDFDWRDWNX-IBGZPJMESA-N 1 1 378.541 4.472 20 0 GIADMO COc1cccc(COc2cccc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)c2C)c1 ZINC000165168625 823837592 /nfs/dbraw/zinc/83/75/92/823837592.db2.gz VHVLDQCJBMIJJV-LJQANCHMSA-N 1 1 397.519 4.046 20 0 GIADMO CO[C@](C)(C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000462128865 823838254 /nfs/dbraw/zinc/83/82/54/823838254.db2.gz IHMFYJBIBRUCIP-ZTNFWEORSA-N 1 1 398.469 4.020 20 0 GIADMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC(C)(C)C1 ZINC000574841280 823839582 /nfs/dbraw/zinc/83/95/82/823839582.db2.gz XLZXHWYILJKUIU-OAHLLOKOSA-N 1 1 385.533 4.307 20 0 GIADMO CC1CCC([N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C2CC2)CC1 ZINC000165204580 823840051 /nfs/dbraw/zinc/84/00/51/823840051.db2.gz WWYXXIKADXRXQL-UHFFFAOYSA-N 1 1 392.544 4.373 20 0 GIADMO COc1cc(C[N@H+]2CC[C@H](COC(F)F)C2)ccc1OCc1ccccc1 ZINC000574846324 823841518 /nfs/dbraw/zinc/84/15/18/823841518.db2.gz NXKCGQGLOLWNNX-SFHVURJKSA-N 1 1 377.431 4.335 20 0 GIADMO COc1ccc(Cl)c(NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000064547695 823841810 /nfs/dbraw/zinc/84/18/10/823841810.db2.gz GTGMEUWSAGAUMO-UHFFFAOYSA-N 1 1 388.830 4.304 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCc2sc(Cl)cc21 ZINC000574848354 823842188 /nfs/dbraw/zinc/84/21/88/823842188.db2.gz MAPWNNNYLXBCEN-WBVHZDCISA-N 1 1 389.952 4.210 20 0 GIADMO C[C@H](c1cccnc1)N1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000126339234 823843498 /nfs/dbraw/zinc/84/34/98/823843498.db2.gz YMIUQRSSJWYJRR-MRXNPFEDSA-N 1 1 381.911 4.004 20 0 GIADMO C[C@H](c1cccnc1)[NH+]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000126339234 823843507 /nfs/dbraw/zinc/84/35/07/823843507.db2.gz YMIUQRSSJWYJRR-MRXNPFEDSA-N 1 1 381.911 4.004 20 0 GIADMO COCc1cc([C@@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324974 823843996 /nfs/dbraw/zinc/84/39/96/823843996.db2.gz ZNQFBVCIPIZPSW-TZIWHRDSSA-N 1 1 382.548 4.057 20 0 GIADMO COCc1cc([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324974 823844002 /nfs/dbraw/zinc/84/40/02/823844002.db2.gz ZNQFBVCIPIZPSW-TZIWHRDSSA-N 1 1 382.548 4.057 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1cc(Cl)ccc1SC)[NH+](C)C ZINC000064563432 823846842 /nfs/dbraw/zinc/84/68/42/823846842.db2.gz RAEDWKVCXZJFMB-MRXNPFEDSA-N 1 1 393.940 4.495 20 0 GIADMO C[C@H](CNC(=O)c1c(F)cc(C(F)(F)F)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000574866638 823847266 /nfs/dbraw/zinc/84/72/66/823847266.db2.gz WFUFTSPQNILVPM-GFCCVEGCSA-N 1 1 398.375 4.160 20 0 GIADMO Cc1cccc2c(CCC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c[nH]c21 ZINC000462157012 823847631 /nfs/dbraw/zinc/84/76/31/823847631.db2.gz FVZSQNVLEOQWQQ-AVRDEDQJSA-N 1 1 375.516 4.046 20 0 GIADMO CCOC(=O)CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 ZINC000064568901 823848278 /nfs/dbraw/zinc/84/82/78/823848278.db2.gz RUZMVRSNJOKGJT-UHFFFAOYSA-N 1 1 398.290 4.209 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1cccnc1Cl ZINC000165531448 823852508 /nfs/dbraw/zinc/85/25/08/823852508.db2.gz PMGQNVKPJZZFKO-INIZCTEOSA-N 1 1 383.879 4.439 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000462173002 823853729 /nfs/dbraw/zinc/85/37/29/823853729.db2.gz BHYYLTJPRGPTCT-WMLDXEAASA-N 1 1 383.542 4.122 20 0 GIADMO Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c2c1 ZINC000462175543 823854446 /nfs/dbraw/zinc/85/44/46/823854446.db2.gz KTACDIHCZLIPAI-FDDCHVKYSA-N 1 1 375.516 4.046 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N[C@H](c3ccc(C(C)C)cc3)C(C)C)C2)n1 ZINC000064638424 823855488 /nfs/dbraw/zinc/85/54/88/823855488.db2.gz BGBVVUYOGXCACF-IRLDBZIGSA-N 1 1 398.551 4.194 20 0 GIADMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N[C@H](c3ccc(C(C)C)cc3)C(C)C)C2)n1 ZINC000064638424 823855500 /nfs/dbraw/zinc/85/55/00/823855500.db2.gz BGBVVUYOGXCACF-IRLDBZIGSA-N 1 1 398.551 4.194 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000192086466 823855727 /nfs/dbraw/zinc/85/57/27/823855727.db2.gz GXUPBCHWTYJGHX-AEFFLSMTSA-N 1 1 391.805 4.288 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000192086470 823855859 /nfs/dbraw/zinc/85/58/59/823855859.db2.gz GXUPBCHWTYJGHX-WMZOPIPTSA-N 1 1 391.805 4.288 20 0 GIADMO CC(C)[C@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413878688 823856191 /nfs/dbraw/zinc/85/61/91/823856191.db2.gz MQYQAMJFZTVDNU-HNNXBMFYSA-N 1 1 396.373 4.099 20 0 GIADMO C[C@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000574902421 823857377 /nfs/dbraw/zinc/85/73/77/823857377.db2.gz UQDVOHPQGJPRHU-MSOLQXFVSA-N 1 1 394.519 4.061 20 0 GIADMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000574910535 823859700 /nfs/dbraw/zinc/85/97/00/823859700.db2.gz PCINQRCURIPKNS-XOBRGWDASA-N 1 1 391.899 4.362 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000413889257 823859925 /nfs/dbraw/zinc/85/99/25/823859925.db2.gz MYRCZJVIQNZALV-SIKLNZKXSA-N 1 1 394.563 4.054 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CCCCC1 ZINC000192101583 823860212 /nfs/dbraw/zinc/86/02/12/823860212.db2.gz JJNXKWJFGGGXHB-JBBXEZCESA-N 1 1 393.894 4.152 20 0 GIADMO Cc1ccc(CCN(Cc2ccco2)C(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000462190764 823861803 /nfs/dbraw/zinc/86/18/03/823861803.db2.gz QYOGEYHJIOAQGS-UHFFFAOYSA-N 1 1 393.487 4.057 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192105727 823862195 /nfs/dbraw/zinc/86/21/95/823862195.db2.gz FGWRSHUNKSEPRB-UHFFFAOYSA-N 1 1 385.321 4.172 20 0 GIADMO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000574929217 823862311 /nfs/dbraw/zinc/86/23/11/823862311.db2.gz USZFPGSFVQDDCS-LDLZHSJESA-N 1 1 376.544 4.379 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2nnc(-c3ccccc3Cl)o2)cc1F ZINC000192111555 823863762 /nfs/dbraw/zinc/86/37/62/823863762.db2.gz NCZMMNNMPVYDPF-WMZOPIPTSA-N 1 1 391.805 4.288 20 0 GIADMO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(Br)s1 ZINC000462194530 823864040 /nfs/dbraw/zinc/86/40/40/823864040.db2.gz ILEWXTGMTXNYOK-WBMJQRKESA-N 1 1 393.350 4.069 20 0 GIADMO CC[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000413909422 823864601 /nfs/dbraw/zinc/86/46/01/823864601.db2.gz MUCZOTDWIBKGRD-OAHLLOKOSA-N 1 1 389.437 4.022 20 0 GIADMO CC[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000413909422 823864609 /nfs/dbraw/zinc/86/46/09/823864609.db2.gz MUCZOTDWIBKGRD-OAHLLOKOSA-N 1 1 389.437 4.022 20 0 GIADMO CCOc1cc(C)ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064705650 823867845 /nfs/dbraw/zinc/86/78/45/823867845.db2.gz IEEPALTYSPGALO-QGZVFWFLSA-N 1 1 387.549 4.489 20 0 GIADMO O=C(c1nc2ccccc2s1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000165996373 823867894 /nfs/dbraw/zinc/86/78/94/823867894.db2.gz VAJBXBAYHBXVAH-UHFFFAOYSA-N 1 1 379.529 4.077 20 0 GIADMO COCCOc1ccccc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000064720202 823871093 /nfs/dbraw/zinc/87/10/93/823871093.db2.gz SKXHQXSGQSUVAT-LJQANCHMSA-N 1 1 396.531 4.016 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)cc1F ZINC000192131061 823871073 /nfs/dbraw/zinc/87/10/73/823871073.db2.gz FVTUESIRXIOKIG-AEFFLSMTSA-N 1 1 391.805 4.288 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)o2)cc1C ZINC000574961649 823872616 /nfs/dbraw/zinc/87/26/16/823872616.db2.gz GHWARDOALASKER-IOMROCGXSA-N 1 1 376.504 4.449 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H]3CCN(C)[C@@H]3c3ccccc3)o2)cc1C ZINC000574961649 823872622 /nfs/dbraw/zinc/87/26/22/823872622.db2.gz GHWARDOALASKER-IOMROCGXSA-N 1 1 376.504 4.449 20 0 GIADMO Cc1ccc(C[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)cc1F ZINC000574961941 823873460 /nfs/dbraw/zinc/87/34/60/823873460.db2.gz NTKPAVZHVJZRCW-UHFFFAOYSA-N 1 1 392.272 4.389 20 0 GIADMO Cc1ccc(C[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)cc1F ZINC000574961941 823873464 /nfs/dbraw/zinc/87/34/64/823873464.db2.gz NTKPAVZHVJZRCW-UHFFFAOYSA-N 1 1 392.272 4.389 20 0 GIADMO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nnc(-c3ccc(Cl)cc3)o2)cc1F ZINC000192135991 823873955 /nfs/dbraw/zinc/87/39/55/823873955.db2.gz XRQGNVZUTABBDY-FUHWJXTLSA-N 1 1 391.805 4.288 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000064735246 823875339 /nfs/dbraw/zinc/87/53/39/823875339.db2.gz ZVBLXLGSGGMSPE-IJEWVQPXSA-N 1 1 385.335 4.236 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000064735347 823875420 /nfs/dbraw/zinc/87/54/20/823875420.db2.gz HLDOKXBBYQOCPU-WSTZPKSXSA-N 1 1 381.520 4.138 20 0 GIADMO C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310734 823875454 /nfs/dbraw/zinc/87/54/54/823875454.db2.gz YBILSCQURIRSKR-SRVKXCTJSA-N 1 1 376.394 4.165 20 0 GIADMO C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310734 823875459 /nfs/dbraw/zinc/87/54/59/823875459.db2.gz YBILSCQURIRSKR-SRVKXCTJSA-N 1 1 376.394 4.165 20 0 GIADMO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000192139726 823876113 /nfs/dbraw/zinc/87/61/13/823876113.db2.gz OVVBSWITWJSVIV-SJLPKXTDSA-N 1 1 391.805 4.288 20 0 GIADMO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413978864 823882446 /nfs/dbraw/zinc/88/24/46/823882446.db2.gz IOQPYWLVQVHNQH-CJNGLKHVSA-N 1 1 396.375 4.146 20 0 GIADMO Cc1nc(C)c([C@@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007650 823885687 /nfs/dbraw/zinc/88/56/87/823885687.db2.gz JILZHXVVYKZISQ-DYESRHJHSA-N 1 1 399.604 4.339 20 0 GIADMO Cc1nc(C)c([C@@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007650 823885695 /nfs/dbraw/zinc/88/56/95/823885695.db2.gz JILZHXVVYKZISQ-DYESRHJHSA-N 1 1 399.604 4.339 20 0 GIADMO CC(C)[N@@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000064801551 823887414 /nfs/dbraw/zinc/88/74/14/823887414.db2.gz DCZVXMVNHHFFGV-INIZCTEOSA-N 1 1 390.524 4.012 20 0 GIADMO O=C(C[N@@H+](C1CC1)C1CCCC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000064808549 823889240 /nfs/dbraw/zinc/88/92/40/823889240.db2.gz LKLBRTBXGSRBLR-GOSISDBHSA-N 1 1 383.517 4.426 20 0 GIADMO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(c2noc(C3CC3)n2)CC1)c1ccccc1 ZINC000462237748 823889473 /nfs/dbraw/zinc/88/94/73/823889473.db2.gz OOILPMORAQQBDF-UZLBHIALSA-N 1 1 396.535 4.173 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)Nc1cccc(Cl)c1SCC(F)F ZINC000575025547 823891623 /nfs/dbraw/zinc/89/16/23/823891623.db2.gz WXYLQTNFXHJMQS-UHFFFAOYSA-N 1 1 392.899 4.138 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(F)c1 ZINC000167772262 823894736 /nfs/dbraw/zinc/89/47/36/823894736.db2.gz FJEFLALGFZVXDY-GJZGRUSLSA-N 1 1 390.474 4.346 20 0 GIADMO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(-n4ccnc4)cc3C)n2)c1 ZINC000192184773 823895917 /nfs/dbraw/zinc/89/59/17/823895917.db2.gz WZCJRXIEUPZTFT-INIZCTEOSA-N 1 1 389.459 4.090 20 0 GIADMO C[C@@H](NC(C)(C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccccc1 ZINC000167862431 823897122 /nfs/dbraw/zinc/89/71/22/823897122.db2.gz ZQNIBQDWINICLE-HZPDHXFCSA-N 1 1 392.540 4.009 20 0 GIADMO C[C@]1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC=CCC1 ZINC000414058240 823897348 /nfs/dbraw/zinc/89/73/48/823897348.db2.gz UAJOYZMIGSBBOD-FQEVSTJZSA-N 1 1 391.353 4.276 20 0 GIADMO CCc1cccc2c(C3CCN(C(=O)NC[C@@H]4CC[N@H+](C5CC5)C4)CC3)c[nH]c21 ZINC000126556271 823898076 /nfs/dbraw/zinc/89/80/76/823898076.db2.gz QCEWQFBPYYSPIA-KRWDZBQOSA-N 1 1 394.563 4.104 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1csc(-c2ccccc2)n1 ZINC000414065002 823898869 /nfs/dbraw/zinc/89/88/69/823898869.db2.gz OARKOLUKLWSVOZ-SFHVURJKSA-N 1 1 393.556 4.493 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000167985953 823898870 /nfs/dbraw/zinc/89/88/70/823898870.db2.gz DLPYZTNLMWJMML-IBGZPJMESA-N 1 1 387.959 4.144 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000168050287 823899407 /nfs/dbraw/zinc/89/94/07/823899407.db2.gz PFUCJIKGPAGFPP-HZPDHXFCSA-N 1 1 380.414 4.412 20 0 GIADMO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](Cc3snnc3C)C2)n1 ZINC000575049765 823899869 /nfs/dbraw/zinc/89/98/69/823899869.db2.gz NNOWMAKKNUKEQY-CQSZACIVSA-N 1 1 386.546 4.358 20 0 GIADMO CC[NH+](CC)[C@@H](c1nc(-c2ncc(C)cn2)no1)c1cccc(C(F)(F)F)c1 ZINC000575050789 823899895 /nfs/dbraw/zinc/89/98/95/823899895.db2.gz XIRBTSVLFPEIKC-OAHLLOKOSA-N 1 1 391.397 4.285 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC1([NH+](C)C)CCOCC1 ZINC000168260178 823901327 /nfs/dbraw/zinc/90/13/27/823901327.db2.gz NUOYMRREMGPWGK-AWEZNQCLSA-N 1 1 377.529 4.019 20 0 GIADMO C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)c(Br)c1 ZINC000462257659 823901805 /nfs/dbraw/zinc/90/18/05/823901805.db2.gz QGNACBVFWHNLMB-DDUZABMNSA-N 1 1 397.332 4.025 20 0 GIADMO CC(C)OC1CC([NH2+][C@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000575060196 823902176 /nfs/dbraw/zinc/90/21/76/823902176.db2.gz DSMLAJHQOAPXBL-VCANKDNSSA-N 1 1 380.286 4.106 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000414076279 823903198 /nfs/dbraw/zinc/90/31/98/823903198.db2.gz YFHQOJXTLYLQDH-XJKSGUPXSA-N 1 1 393.940 4.071 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccn(C)n1 ZINC000414078890 823903794 /nfs/dbraw/zinc/90/37/94/823903794.db2.gz SJJBJPASAQOZKC-JKSUJKDBSA-N 1 1 380.467 4.152 20 0 GIADMO CC(C)(CNC(=S)Nc1ccc2c(c1)CCC2)[N@H+]1CCc2ccccc2C1 ZINC000064892553 823906426 /nfs/dbraw/zinc/90/64/26/823906426.db2.gz YDXJNGWIGMPDMR-UHFFFAOYSA-N 1 1 379.573 4.299 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=S)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000064903707 823908695 /nfs/dbraw/zinc/90/86/95/823908695.db2.gz SACQHVWYJDCAAD-CYBMUJFWSA-N 1 1 389.487 4.382 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000126611842 823910725 /nfs/dbraw/zinc/91/07/25/823910725.db2.gz UBAQKWHLNSBRMB-LJQANCHMSA-N 1 1 392.503 4.064 20 0 GIADMO COC(=O)/C=C/c1ccc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000064915943 823911801 /nfs/dbraw/zinc/91/18/01/823911801.db2.gz UNEPRDNMMKRVLL-ASHWEPGTSA-N 1 1 395.459 4.028 20 0 GIADMO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126621486 823913679 /nfs/dbraw/zinc/91/36/79/823913679.db2.gz SGGYXWBQGUZTQB-XLIONFOSSA-N 1 1 382.895 4.030 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1csc(-c2ccccc2)n1 ZINC000414119469 823914043 /nfs/dbraw/zinc/91/40/43/823914043.db2.gz WMLKWYWGSZRZGB-OAHLLOKOSA-N 1 1 386.542 4.206 20 0 GIADMO CC(C)(CNC(=O)NCc1ccc(C(F)F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000462297864 823915308 /nfs/dbraw/zinc/91/53/08/823915308.db2.gz PQPINDFROFRVNT-UHFFFAOYSA-N 1 1 387.474 4.260 20 0 GIADMO CC[C@H](C)n1ncc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000462297935 823915325 /nfs/dbraw/zinc/91/53/25/823915325.db2.gz NGKDXUBVZFWWSB-LLGFUMIMSA-N 1 1 395.551 4.374 20 0 GIADMO CC[C@H](C)n1ncc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000462297934 823915369 /nfs/dbraw/zinc/91/53/69/823915369.db2.gz NGKDXUBVZFWWSB-FIKGOQFSSA-N 1 1 395.551 4.374 20 0 GIADMO CCCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000462304209 823917456 /nfs/dbraw/zinc/91/74/56/823917456.db2.gz CZJAECQWCUNTRE-PXNSSMCTSA-N 1 1 392.590 4.062 20 0 GIADMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc2ccccc21 ZINC000064961945 823918842 /nfs/dbraw/zinc/91/88/42/823918842.db2.gz GTEAQPAVEJTTKL-UHFFFAOYSA-N 1 1 383.513 4.144 20 0 GIADMO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575134564 823920240 /nfs/dbraw/zinc/92/02/40/823920240.db2.gz BTZHSKSLGRXYSK-CZYKHXBRSA-N 1 1 393.955 4.060 20 0 GIADMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000575146985 823923398 /nfs/dbraw/zinc/92/33/98/823923398.db2.gz LEVAOIPECMZIHU-ZOCIIQOWSA-N 1 1 389.927 4.248 20 0 GIADMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000575146985 823923408 /nfs/dbraw/zinc/92/34/08/823923408.db2.gz LEVAOIPECMZIHU-ZOCIIQOWSA-N 1 1 389.927 4.248 20 0 GIADMO Cn1c(=S)n(C[NH2+]C2(c3ccc(Br)cc3)CCC2)nc1C1CC1 ZINC000170638070 823923911 /nfs/dbraw/zinc/92/39/11/823923911.db2.gz SFJMXADWBZJEDE-UHFFFAOYSA-N 1 1 393.354 4.217 20 0 GIADMO CCN(c1ccccc1)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000170644471 823924980 /nfs/dbraw/zinc/92/49/80/823924980.db2.gz IVGKCKOAUHQUFH-HSZRJFAPSA-N 1 1 384.483 4.032 20 0 GIADMO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000462328382 823926171 /nfs/dbraw/zinc/92/61/71/823926171.db2.gz TVJQMPVASCPAJA-PKOBYXMFSA-N 1 1 392.590 4.035 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126688555 823927219 /nfs/dbraw/zinc/92/72/19/823927219.db2.gz KDLCBXYIOVSOTJ-OXJNMPFZSA-N 1 1 385.552 4.465 20 0 GIADMO Cc1[nH]c2ccc(CNC(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2c1C ZINC000065031016 823927542 /nfs/dbraw/zinc/92/75/42/823927542.db2.gz KPSBAUISXKOYDV-UHFFFAOYSA-N 1 1 390.531 4.032 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)c1 ZINC000414205344 823928084 /nfs/dbraw/zinc/92/80/84/823928084.db2.gz CQZPHXXBTMHAIQ-ZDUSSCGKSA-N 1 1 397.924 4.002 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000126690852 823928368 /nfs/dbraw/zinc/92/83/68/823928368.db2.gz ZHRRGGQQTGOSEM-AZUAARDMSA-N 1 1 394.563 4.326 20 0 GIADMO Cc1cc(C[N@H+](CCCc2ccncc2)CC(C)C)nc(N2CCCCC2)n1 ZINC000462339133 823930398 /nfs/dbraw/zinc/93/03/98/823930398.db2.gz XLCZGWVBOQHPHS-UHFFFAOYSA-N 1 1 381.568 4.261 20 0 GIADMO Cc1cc(CNC(=O)c2cccc3c4c([nH]c32)CCCC4)cc(N2CCCC2)[nH+]1 ZINC000575171324 823930972 /nfs/dbraw/zinc/93/09/72/823930972.db2.gz PLUNDCADCWBGLS-UHFFFAOYSA-N 1 1 388.515 4.280 20 0 GIADMO CNc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000575175783 823931841 /nfs/dbraw/zinc/93/18/41/823931841.db2.gz RCAQDJXLOZSCPX-RTWAWAEBSA-N 1 1 399.922 4.098 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccnc(Cl)c1 ZINC000126718613 823934806 /nfs/dbraw/zinc/93/48/06/823934806.db2.gz ZSWHRQJMAMCCBC-GJZGRUSLSA-N 1 1 376.907 4.038 20 0 GIADMO O=C(Nc1cccc(Cl)c1OCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575194768 823935789 /nfs/dbraw/zinc/93/57/89/823935789.db2.gz RCMVHXGDKWMGPM-OAHLLOKOSA-N 1 1 394.849 4.445 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)cs1 ZINC000170680383 823936153 /nfs/dbraw/zinc/93/61/53/823936153.db2.gz OOSBARCHBNXYTL-UHFFFAOYSA-N 1 1 394.338 4.065 20 0 GIADMO FC(F)(F)c1ccnc(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)n1 ZINC000414237002 823936599 /nfs/dbraw/zinc/93/65/99/823936599.db2.gz ATUCAFSHGJAJBU-CABCVRRESA-N 1 1 385.817 4.029 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000170681417 823936671 /nfs/dbraw/zinc/93/66/71/823936671.db2.gz HVBLUERIRKUJTF-UHFFFAOYSA-N 1 1 393.940 4.273 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)C1 ZINC000575201523 823937525 /nfs/dbraw/zinc/93/75/25/823937525.db2.gz BAHLCPAVIWSJDB-RBBKRZOGSA-N 1 1 384.907 4.014 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N(C)Cc3ccc(C(C)C)cc3)CC2)cs1 ZINC000170683839 823937860 /nfs/dbraw/zinc/93/78/60/823937860.db2.gz XYUQEWFPEAWSDC-UHFFFAOYSA-N 1 1 385.577 4.446 20 0 GIADMO FC(F)(F)c1ccnc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000414247721 823940196 /nfs/dbraw/zinc/94/01/96/823940196.db2.gz OUMGFWVYOBBNQQ-RCCFBDPRSA-N 1 1 390.453 4.028 20 0 GIADMO FC(F)(F)c1ccnc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000414247720 823940386 /nfs/dbraw/zinc/94/03/86/823940386.db2.gz OUMGFWVYOBBNQQ-KZNAEPCWSA-N 1 1 390.453 4.028 20 0 GIADMO CCC[C@]1(CO)CC[N@@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000575213856 823941269 /nfs/dbraw/zinc/94/12/69/823941269.db2.gz NSIANTPDAIWVFZ-UPVQGACJSA-N 1 1 396.531 4.168 20 0 GIADMO CCC[C@]1(CO)CC[N@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000575213856 823941279 /nfs/dbraw/zinc/94/12/79/823941279.db2.gz NSIANTPDAIWVFZ-UPVQGACJSA-N 1 1 396.531 4.168 20 0 GIADMO CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cccc(Br)c1 ZINC000414254405 823942413 /nfs/dbraw/zinc/94/24/13/823942413.db2.gz ZZIDAZPSUCEAHW-INIZCTEOSA-N 1 1 382.323 4.094 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000575222249 823944740 /nfs/dbraw/zinc/94/47/40/823944740.db2.gz XHFFDGKIGNFSRD-KRWDZBQOSA-N 1 1 393.597 4.341 20 0 GIADMO c1c(CNC[C@@H]2[NH2+]CCc3ccccc32)c(-c2ccccn2)nn1C1CCCC1 ZINC000575233370 823948259 /nfs/dbraw/zinc/94/82/59/823948259.db2.gz RHESYPLRMPNZSP-QHCPKHFHSA-N 1 1 387.531 4.037 20 0 GIADMO Cc1ccc(Br)c(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000414273686 823948936 /nfs/dbraw/zinc/94/89/36/823948936.db2.gz ZMWHUQOQVGIHJM-ZDUSSCGKSA-N 1 1 382.323 4.012 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000065142309 823951312 /nfs/dbraw/zinc/95/13/12/823951312.db2.gz AQBULMLZIGCEMV-HDICACEKSA-N 1 1 399.604 4.149 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192339606 823952145 /nfs/dbraw/zinc/95/21/45/823952145.db2.gz XHBOZUINSLAIRE-UHFFFAOYSA-N 1 1 380.496 4.103 20 0 GIADMO CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311333 823952381 /nfs/dbraw/zinc/95/23/81/823952381.db2.gz BFMXEUMIIYQNQR-SFTDATJTSA-N 1 1 393.579 4.242 20 0 GIADMO CC(C)c1c(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cnn1-c1ccccc1 ZINC000192342193 823953096 /nfs/dbraw/zinc/95/30/96/823953096.db2.gz UECASPGZFYKQGB-GOSISDBHSA-N 1 1 381.480 4.013 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000414303365 823954281 /nfs/dbraw/zinc/95/42/81/823954281.db2.gz NUMFOKHWLNZVTE-UHFFFAOYSA-N 1 1 380.511 4.450 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000414303365 823954288 /nfs/dbraw/zinc/95/42/88/823954288.db2.gz NUMFOKHWLNZVTE-UHFFFAOYSA-N 1 1 380.511 4.450 20 0 GIADMO C[C@@H]1C[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@H](c2ccc(F)cc2)O1 ZINC000126811069 823957284 /nfs/dbraw/zinc/95/72/84/823957284.db2.gz GMMZJQNNJOTPPR-OXQOHEQNSA-N 1 1 381.451 4.270 20 0 GIADMO C[C@@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@H](c2ccc(F)cc2)O1 ZINC000126811069 823957291 /nfs/dbraw/zinc/95/72/91/823957291.db2.gz GMMZJQNNJOTPPR-OXQOHEQNSA-N 1 1 381.451 4.270 20 0 GIADMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000065189075 823958347 /nfs/dbraw/zinc/95/83/47/823958347.db2.gz VXTLXJRYZABITQ-INIZCTEOSA-N 1 1 384.520 4.146 20 0 GIADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000065188941 823958361 /nfs/dbraw/zinc/95/83/61/823958361.db2.gz JOOYZMLDELHDCN-WMZOPIPTSA-N 1 1 384.520 4.071 20 0 GIADMO O=C(NCCCCCOC1CCCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126823425 823959486 /nfs/dbraw/zinc/95/94/86/823959486.db2.gz VTTXBVVWIBHZCB-KNQAVFIVSA-N 1 1 391.600 4.164 20 0 GIADMO Cc1cc(C[NH2+]Cc2ccc(OCCOc3ccc(Cl)cc3)cc2)nn1C ZINC000414340303 823961199 /nfs/dbraw/zinc/96/11/99/823961199.db2.gz MRCUZVJFIYRINU-UHFFFAOYSA-N 1 1 385.895 4.130 20 0 GIADMO Cc1nnc(C[NH2+][C@](C)(c2ccc(Br)cc2)C(C)C)n1C1CC1 ZINC000192372827 823963103 /nfs/dbraw/zinc/96/31/03/823963103.db2.gz PFDXCRIQFVTVFH-SFHVURJKSA-N 1 1 377.330 4.345 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000575369299 823963935 /nfs/dbraw/zinc/96/39/35/823963935.db2.gz KMUREVFKUCFMJL-LBPRGKRZSA-N 1 1 391.903 4.118 20 0 GIADMO COc1ccc(CC[N@@H+](CCn2cc(C)cn2)Cc2ccsc2)cc1OC ZINC000575442266 823971256 /nfs/dbraw/zinc/97/12/56/823971256.db2.gz SGKVBWWBMZMYKI-UHFFFAOYSA-N 1 1 385.533 4.015 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H]2COc3ccccc3O2)c1 ZINC000575477083 823973738 /nfs/dbraw/zinc/97/37/38/823973738.db2.gz LZSVINHURHFCIF-IBGZPJMESA-N 1 1 391.471 4.223 20 0 GIADMO CC(C)C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCCc2cccnc21 ZINC000126891657 823975336 /nfs/dbraw/zinc/97/53/36/823975336.db2.gz FVNKFMPWZTXAQP-LJQANCHMSA-N 1 1 396.922 4.279 20 0 GIADMO CC(C)(CNC(=O)CCc1cncc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000462438782 823975792 /nfs/dbraw/zinc/97/57/92/823975792.db2.gz XIBVBBZCCJJZFI-UHFFFAOYSA-N 1 1 387.527 4.121 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000126894539 823975954 /nfs/dbraw/zinc/97/59/54/823975954.db2.gz FZDMBOSTPKGYHS-CVDCTZTESA-N 1 1 389.499 4.275 20 0 GIADMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000126894539 823975962 /nfs/dbraw/zinc/97/59/62/823975962.db2.gz FZDMBOSTPKGYHS-CVDCTZTESA-N 1 1 389.499 4.275 20 0 GIADMO CCCCCN(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)cc1 ZINC000575599900 823978929 /nfs/dbraw/zinc/97/89/29/823978929.db2.gz PTNGSRGLRJSOQM-UHFFFAOYSA-N 1 1 394.003 4.321 20 0 GIADMO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000575751131 823985719 /nfs/dbraw/zinc/98/57/19/823985719.db2.gz KNABFTWOEXATJL-ODAXIHTASA-N 1 1 394.515 4.000 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(-c3ccncc3)c(F)c2)CC1 ZINC000575751184 823985926 /nfs/dbraw/zinc/98/59/26/823985926.db2.gz YTOAADZATPYJCX-UHFFFAOYSA-N 1 1 391.446 4.275 20 0 GIADMO CCOc1ccccc1NC(=O)C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126963615 823990335 /nfs/dbraw/zinc/99/03/35/823990335.db2.gz UNKLDOUYLJXPIM-FQEVSTJZSA-N 1 1 381.520 4.454 20 0 GIADMO COc1cc(C[N@H+]2CCSC3(CCC3)CC2)cc(OC)c1OCC(F)F ZINC000414481226 823992535 /nfs/dbraw/zinc/99/25/35/823992535.db2.gz VRXWHAOYPOKVND-UHFFFAOYSA-N 1 1 387.492 4.209 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccc3c2OC(C)(C)C3)c1 ZINC000414491700 823994064 /nfs/dbraw/zinc/99/40/64/823994064.db2.gz CWPZIJBVWFFDES-UHFFFAOYSA-N 1 1 393.936 4.137 20 0 GIADMO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785890 823995359 /nfs/dbraw/zinc/99/53/59/823995359.db2.gz ABHWMKFORJDQEU-JMLJLYKJSA-N 1 1 380.576 4.116 20 0 GIADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC2(C)C)cc1 ZINC000170872851 823996337 /nfs/dbraw/zinc/99/63/37/823996337.db2.gz DHMQHXKKAXMFIH-UHFFFAOYSA-N 1 1 395.503 4.151 20 0 GIADMO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000192458043 823998381 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394.563 4.228 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192470984 824003647 /nfs/dbraw/zinc/00/36/47/824003647.db2.gz LWDYPUUHLIKMGY-UHFFFAOYSA-N 1 1 391.313 4.045 20 0 GIADMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1 ZINC000414549855 824009052 /nfs/dbraw/zinc/00/90/52/824009052.db2.gz MBPCRSZRDNXGIX-NRFANRHFSA-N 1 1 378.516 4.339 20 0 GIADMO CC(C)COc1ccc(CC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000170944868 824010163 /nfs/dbraw/zinc/01/01/63/824010163.db2.gz OFXQGORIIMYRNA-UHFFFAOYSA-N 1 1 395.547 4.045 20 0 GIADMO CC[NH+](CC)[C@H](CNCc1cc2cnn(C(C)C)c2nc1Cl)c1ccco1 ZINC000127092042 824015482 /nfs/dbraw/zinc/01/54/82/824015482.db2.gz JFJXVKPQIUXSRD-QGZVFWFLSA-N 1 1 389.931 4.431 20 0 GIADMO C[N@H+](CCCOc1ccc(F)cc1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000170953283 824015969 /nfs/dbraw/zinc/01/59/69/824015969.db2.gz BBHRSWKRFRTMAP-UHFFFAOYSA-N 1 1 375.831 4.430 20 0 GIADMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000170953283 824015977 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20 0 GIADMO CC[C@H](C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000575912165 824028091 /nfs/dbraw/zinc/02/80/91/824028091.db2.gz JGGWBJFFUQTHGH-HSZRJFAPSA-N 1 1 395.547 4.293 20 0 GIADMO CN(C[C@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1)C(=O)OC(C)(C)C ZINC000170987566 824028761 /nfs/dbraw/zinc/02/87/61/824028761.db2.gz LEDWESKSGZWOFD-CQSZACIVSA-N 1 1 377.510 4.092 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1)C(=O)OC(C)(C)C ZINC000170987566 824028767 /nfs/dbraw/zinc/02/87/67/824028767.db2.gz LEDWESKSGZWOFD-CQSZACIVSA-N 1 1 377.510 4.092 20 0 GIADMO CCCO[C@H]1CCC[N@@H+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000170990140 824029682 /nfs/dbraw/zinc/02/96/82/824029682.db2.gz VRGULCTZXXOFQU-ROUUACIJSA-N 1 1 376.566 4.185 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000575937298 824032621 /nfs/dbraw/zinc/03/26/21/824032621.db2.gz CRHSHBRHHFMXBL-SFNKJDCFSA-N 1 1 384.524 4.135 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC000575955905 824036691 /nfs/dbraw/zinc/03/66/91/824036691.db2.gz AXTJRPJZICYTRG-UHFFFAOYSA-N 1 1 378.520 4.428 20 0 GIADMO C[C@H]([NH3+])c1ccc(CNCc2cc(Br)ccc2OC(F)F)cc1 ZINC000414811228 824038169 /nfs/dbraw/zinc/03/81/69/824038169.db2.gz PITDHFSMVKHKDD-NSHDSACASA-N 1 1 385.252 4.360 20 0 GIADMO CC[C@H](C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000575961956 824039394 /nfs/dbraw/zinc/03/93/94/824039394.db2.gz SJZBBEXFIBORHQ-YPAWHYETSA-N 1 1 384.495 4.073 20 0 GIADMO COc1ccc2cc([C@H](C)C(=O)Nc3cccnc3-n3cc[nH+]c3C)ccc2c1 ZINC000171023071 824040461 /nfs/dbraw/zinc/04/04/61/824040461.db2.gz MTMKIUBFGMGYDI-HNNXBMFYSA-N 1 1 386.455 4.480 20 0 GIADMO O=C(Nc1cccc(CNC[C@H]2CCC[NH2+]C2)c1)c1ccc(Cl)cc1Cl ZINC000414841182 824040720 /nfs/dbraw/zinc/04/07/20/824040720.db2.gz YYKJFJDPHQMCPE-HNNXBMFYSA-N 1 1 392.330 4.335 20 0 GIADMO CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000575971735 824041962 /nfs/dbraw/zinc/04/19/62/824041962.db2.gz UZMCWHVDCGVPGT-HOTGVXAUSA-N 1 1 376.451 4.492 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)C23CCC[NH+]2CCC3)c1 ZINC000414872486 824043492 /nfs/dbraw/zinc/04/34/92/824043492.db2.gz VQORPEVUHGYUCM-UHFFFAOYSA-N 1 1 383.879 4.159 20 0 GIADMO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000192611434 824045455 /nfs/dbraw/zinc/04/54/55/824045455.db2.gz IQIWVTDYXMYOQH-UHFFFAOYSA-N 1 1 395.503 4.297 20 0 GIADMO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000192611434 824045460 /nfs/dbraw/zinc/04/54/60/824045460.db2.gz IQIWVTDYXMYOQH-UHFFFAOYSA-N 1 1 395.503 4.297 20 0 GIADMO O=C(CCc1ccc(F)cc1F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575995596 824046214 /nfs/dbraw/zinc/04/62/14/824046214.db2.gz QZYYEWKTAJVROJ-HSZRJFAPSA-N 1 1 384.470 4.022 20 0 GIADMO Cc1cc(C(=O)NC2CC[NH+](Cn3c4ccccc4oc3=S)CC2)c(C)o1 ZINC000171045399 824046400 /nfs/dbraw/zinc/04/64/00/824046400.db2.gz WPAMKIPRZSRURZ-UHFFFAOYSA-N 1 1 385.489 4.026 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cc(C)oc3C)n2C2CC2)CC1 ZINC000575996459 824046559 /nfs/dbraw/zinc/04/65/59/824046559.db2.gz SFGBOFACHZXDHG-UHFFFAOYSA-N 1 1 385.556 4.438 20 0 GIADMO CCC[C@H](C)C(=O)NCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000576016409 824050295 /nfs/dbraw/zinc/05/02/95/824050295.db2.gz SUYABMUJMLINMQ-KSSFIOAISA-N 1 1 393.325 4.274 20 0 GIADMO Cc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)cc1 ZINC000576018785 824050454 /nfs/dbraw/zinc/05/04/54/824050454.db2.gz WLFXCFVPHDSDQZ-RTBURBONSA-N 1 1 382.470 4.050 20 0 GIADMO COc1ccc2onc(CC(=O)Nc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)c2c1 ZINC000414950144 824053285 /nfs/dbraw/zinc/05/32/85/824053285.db2.gz HIFMWILBPPSKGB-INIZCTEOSA-N 1 1 393.487 4.392 20 0 GIADMO COc1cc(C[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1O ZINC000192640251 824053784 /nfs/dbraw/zinc/05/37/84/824053784.db2.gz IUGIXNHWFWLOEG-JOCHJYFZSA-N 1 1 390.524 4.012 20 0 GIADMO CC(C)(C)c1cc(C[NH2+][C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)no1 ZINC000576031832 824053991 /nfs/dbraw/zinc/05/39/91/824053991.db2.gz QXGJWOUDOZMTFR-IBGZPJMESA-N 1 1 382.426 4.482 20 0 GIADMO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2NC1=O ZINC000171066449 824054242 /nfs/dbraw/zinc/05/42/42/824054242.db2.gz FDIXBBAYSFARNS-AWEZNQCLSA-N 1 1 398.890 4.154 20 0 GIADMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000010226200 204331181 /nfs/dbraw/zinc/33/11/81/204331181.db2.gz LNOUOQZAYAWUFJ-GOSISDBHSA-N 1 1 378.394 4.490 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000010226200 204331185 /nfs/dbraw/zinc/33/11/85/204331185.db2.gz LNOUOQZAYAWUFJ-GOSISDBHSA-N 1 1 378.394 4.490 20 0 GIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[nH]c2c1C(=O)CCC2 ZINC000053720545 205138414 /nfs/dbraw/zinc/13/84/14/205138414.db2.gz GLURSXCOTNAPMA-HNNXBMFYSA-N 1 1 379.504 4.469 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C(=O)c4ccccc4[C@H]3C2)nc1 ZINC001164408759 718849258 /nfs/dbraw/zinc/84/92/58/718849258.db2.gz SVPCGAUOUMFQAX-BHIFYINESA-N 1 1 375.516 4.435 20 0 GIADMO FC(F)(c1ccc(Cl)nc1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164618362 719050520 /nfs/dbraw/zinc/05/05/20/719050520.db2.gz AVFPVIREYAULLQ-FUHWJXTLSA-N 1 1 377.866 4.381 20 0 GIADMO Clc1ccc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164620496 719064597 /nfs/dbraw/zinc/06/45/97/719064597.db2.gz FNMYZPCGEFPAII-LAUBAEHRSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1nnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2sccc21 ZINC001164622852 719065782 /nfs/dbraw/zinc/06/57/82/719065782.db2.gz IZRHERPUDUFEIU-NVXWUHKLSA-N 1 1 384.936 4.446 20 0 GIADMO Cc1nc2ccc(F)cc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164619047 719068294 /nfs/dbraw/zinc/06/82/94/719068294.db2.gz CDVXTFILQONTMX-GCJKJVERSA-N 1 1 376.479 4.178 20 0 GIADMO Clc1ccc2c(c1)ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627770 719070989 /nfs/dbraw/zinc/07/09/89/719070989.db2.gz QPOCWDCAOAPMDM-DYESRHJHSA-N 1 1 378.907 4.384 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164623639 719076676 /nfs/dbraw/zinc/07/66/76/719076676.db2.gz KBPRBTUWRCGXKG-NHCUHLMSSA-N 1 1 393.531 4.138 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164638859 719206263 /nfs/dbraw/zinc/20/62/63/719206263.db2.gz PRDSPTWHEQBNSN-VHSXEESVSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164638859 719206264 /nfs/dbraw/zinc/20/62/64/719206264.db2.gz PRDSPTWHEQBNSN-VHSXEESVSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164641025 719209219 /nfs/dbraw/zinc/20/92/19/719209219.db2.gz UMYAHOQTYBIDQR-VHSXEESVSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164641025 719209228 /nfs/dbraw/zinc/20/92/28/719209228.db2.gz UMYAHOQTYBIDQR-VHSXEESVSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164631766 719257781 /nfs/dbraw/zinc/25/77/81/719257781.db2.gz FUMWWQHNXUNZOD-RYUDHWBXSA-N 1 1 384.833 4.010 20 0 GIADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164631766 719257785 /nfs/dbraw/zinc/25/77/85/719257785.db2.gz FUMWWQHNXUNZOD-RYUDHWBXSA-N 1 1 384.833 4.010 20 0 GIADMO Cc1cccc2c(C)cc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc12 ZINC001164649714 719307503 /nfs/dbraw/zinc/30/75/03/719307503.db2.gz WWNNVVWULIYVAX-UHFFFAOYSA-N 1 1 377.536 4.253 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164646799 719307915 /nfs/dbraw/zinc/30/79/15/719307915.db2.gz HTHQPCJBOJACTG-UHFFFAOYSA-N 1 1 383.927 4.290 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)nc4sccc42)CC3)cs1 ZINC001164693407 719803167 /nfs/dbraw/zinc/80/31/67/719803167.db2.gz SOXYILLJWWVLHM-UHFFFAOYSA-N 1 1 399.589 4.400 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4cc(F)ccc42)CC3)cs1 ZINC001164693815 719804570 /nfs/dbraw/zinc/80/45/70/719804570.db2.gz VFHLLUZXINESRE-UHFFFAOYSA-N 1 1 397.523 4.169 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(Cl)c(C)n2)CC3)cs1 ZINC001164692460 719807024 /nfs/dbraw/zinc/80/70/24/719807024.db2.gz HOFMIEQZBQIGKD-UHFFFAOYSA-N 1 1 376.957 4.443 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)c4ccccc4n2)CC3)cs1 ZINC001164694079 719807662 /nfs/dbraw/zinc/80/76/62/719807662.db2.gz UOBQVAKCRJOSSQ-UHFFFAOYSA-N 1 1 393.560 4.338 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164806439 720099446 /nfs/dbraw/zinc/09/94/46/720099446.db2.gz CTUCJTWVFGELMA-PGRDOPGGSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164805879 720099769 /nfs/dbraw/zinc/09/97/69/720099769.db2.gz AIKSNUJEJUNNDE-QRWLVFNGSA-N 1 1 391.968 4.134 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164806957 720101371 /nfs/dbraw/zinc/10/13/71/720101371.db2.gz ABYSBUIPWDOCBN-PGRDOPGGSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3c(C)ccc(F)c3cc1C)C2 ZINC001164813252 720137637 /nfs/dbraw/zinc/13/76/37/720137637.db2.gz PXJXVXBTMHIUGA-YADARESESA-N 1 1 397.538 4.175 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(Cl)c(C)c3n1)C2 ZINC001164814380 720152023 /nfs/dbraw/zinc/15/20/23/720152023.db2.gz FXZWHFYNMBYCAC-XXBNENTESA-N 1 1 399.966 4.381 20 0 GIADMO COc1cccc2c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164721187 720329918 /nfs/dbraw/zinc/32/99/18/720329918.db2.gz BAFWXKCRFKXMLO-ZWKOTPCHSA-N 1 1 394.906 4.145 20 0 GIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723629 720337004 /nfs/dbraw/zinc/33/70/04/720337004.db2.gz IFSCLUDQBQAJOM-HUUCEWRRSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723629 720337008 /nfs/dbraw/zinc/33/70/08/720337008.db2.gz IFSCLUDQBQAJOM-HUUCEWRRSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721429 720341408 /nfs/dbraw/zinc/34/14/08/720341408.db2.gz BZTZHEVVAKRRFP-JKSUJKDBSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721429 720341415 /nfs/dbraw/zinc/34/14/15/720341415.db2.gz BZTZHEVVAKRRFP-JKSUJKDBSA-N 1 1 399.272 4.182 20 0 GIADMO Fc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729766 720358210 /nfs/dbraw/zinc/35/82/10/720358210.db2.gz XYGHZFOFSAEMDK-MOPGFXCFSA-N 1 1 382.870 4.276 20 0 GIADMO Cc1ccc2nc(Cl)cc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164722485 720363859 /nfs/dbraw/zinc/36/38/59/720363859.db2.gz CUOHMAMZPZRVNF-VQTJNVASSA-N 1 1 378.907 4.445 20 0 GIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725387 720382272 /nfs/dbraw/zinc/38/22/72/720382272.db2.gz NDTBHCBHDBKHKR-GJZGRUSLSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725387 720382277 /nfs/dbraw/zinc/38/22/77/720382277.db2.gz 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GIADMO Cc1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164838052 720541564 /nfs/dbraw/zinc/54/15/64/720541564.db2.gz NRBRDHILBLFUDO-QNWVGRARSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1ccc(Cl)nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844241 720657223 /nfs/dbraw/zinc/65/72/23/720657223.db2.gz ZGWFENGZOOGHJN-LJQANCHMSA-N 1 1 385.939 4.303 20 0 GIADMO Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc2[nH]ccc21 ZINC001164842707 720701980 /nfs/dbraw/zinc/70/19/80/720701980.db2.gz MUVUSSYMDFKADC-HXUWFJFHSA-N 1 1 390.531 4.131 20 0 GIADMO CSc1cc(Cl)ncc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164857060 720952168 /nfs/dbraw/zinc/95/21/68/720952168.db2.gz GIVGTRREANNLLU-CYBMUJFWSA-N 1 1 379.961 4.075 20 0 GIADMO Cc1sc2nc(C)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164859347 720958566 /nfs/dbraw/zinc/95/85/66/720958566.db2.gz MWSXHGKMMVBEIE-CQSZACIVSA-N 1 1 398.580 4.234 20 0 GIADMO Cc1nc2cc(Cl)ccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164856135 720962274 /nfs/dbraw/zinc/96/22/74/720962274.db2.gz AVZXPPQFIPXKBJ-CQSZACIVSA-N 1 1 398.942 4.210 20 0 GIADMO CC(C)(C)c1cc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2s1 ZINC001164787539 721401025 /nfs/dbraw/zinc/40/10/25/721401025.db2.gz PTJVIUVYBVWGLO-ZIAGYGMSSA-N 1 1 399.589 4.014 20 0 GIADMO Cc1csc2c1nc(Cl)cc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790285 721419532 /nfs/dbraw/zinc/41/95/32/721419532.db2.gz XAMSQYCGXWECQE-BETUJISGSA-N 1 1 390.965 4.283 20 0 GIADMO Cc1csc2c1nc(Cl)cc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790285 721419534 /nfs/dbraw/zinc/41/95/34/721419534.db2.gz XAMSQYCGXWECQE-BETUJISGSA-N 1 1 390.965 4.283 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccccc3)nn1)CC2 ZINC001164791840 721492160 /nfs/dbraw/zinc/49/21/60/721492160.db2.gz FQODBIUFYZVDDZ-UHFFFAOYSA-N 1 1 399.542 4.420 20 0 GIADMO CC(C)Oc1cccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791982 721496703 /nfs/dbraw/zinc/49/67/03/721496703.db2.gz IDUSWIIDFAKSMW-UHFFFAOYSA-N 1 1 380.536 4.145 20 0 GIADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@@H]3C2)n1 ZINC001164899815 721497874 /nfs/dbraw/zinc/49/78/74/721497874.db2.gz LIFAVQPKPIMROM-DFQSSKMNSA-N 1 1 389.971 4.362 20 0 GIADMO Cc1cc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908474 721584880 /nfs/dbraw/zinc/58/48/80/721584880.db2.gz ZIBVLNUDMHMKQX-LJQANCHMSA-N 1 1 392.881 4.176 20 0 GIADMO Fc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164904858 721698218 /nfs/dbraw/zinc/69/82/18/721698218.db2.gz GZMAGHLGCBGVKZ-GOSISDBHSA-N 1 1 396.844 4.007 20 0 GIADMO Cc1cc2c(ccnc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)o1 ZINC001164912578 721728892 /nfs/dbraw/zinc/72/88/92/721728892.db2.gz NYAFFHLMNLOLEW-OAQYLSRUSA-N 1 1 398.457 4.269 20 0 GIADMO Cc1nc2sccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165028860 721798665 /nfs/dbraw/zinc/79/86/65/721798665.db2.gz ZYRFNGZBVWBEMK-FFZOFVMBSA-N 1 1 393.560 4.132 20 0 GIADMO Cc1cc2c(ncnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001165023332 721798822 /nfs/dbraw/zinc/79/88/22/721798822.db2.gz JNEUQKSFGRDQAT-DBVUQKKJSA-N 1 1 393.560 4.132 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(C4CC4)c3CC2)nc1 ZINC001164914742 721804262 /nfs/dbraw/zinc/80/42/62/721804262.db2.gz FNIUMGHGZSXGSF-JOCHJYFZSA-N 1 1 391.563 4.291 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4[nH]ccc43)C[C@@H]21 ZINC001165027575 721805366 /nfs/dbraw/zinc/80/53/66/721805366.db2.gz WKQGCOUFWGWRKW-MOXGXCLJSA-N 1 1 395.938 4.348 20 0 GIADMO Cc1cccc2c1ncnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018588 721806055 /nfs/dbraw/zinc/80/60/55/721806055.db2.gz BJYFBPACRIJWOA-YUXAGFNASA-N 1 1 387.531 4.070 20 0 GIADMO CCCSc1cncc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027069 721826237 /nfs/dbraw/zinc/82/62/37/721826237.db2.gz RPYJVRTVRDBARQ-SXLOBPIMSA-N 1 1 397.592 4.111 20 0 GIADMO CCCSc1cncc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027070 721826245 /nfs/dbraw/zinc/82/62/45/721826245.db2.gz RPYJVRTVRDBARQ-YSIASYRMSA-N 1 1 397.592 4.111 20 0 GIADMO CSc1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c(C)c1 ZINC001164939031 721929539 /nfs/dbraw/zinc/92/95/39/721929539.db2.gz HMBDZQXJOMBHDV-UHFFFAOYSA-N 1 1 397.588 4.292 20 0 GIADMO C[NH+]1CCC(Oc2ccnc(N3CCC(CCc4ccccc4)CC3)c2)CC1 ZINC001165044152 721940570 /nfs/dbraw/zinc/94/05/70/721940570.db2.gz KRMYWMHXVHQPJM-UHFFFAOYSA-N 1 1 379.548 4.404 20 0 GIADMO COc1ccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc2c1 ZINC001164953639 722015862 /nfs/dbraw/zinc/01/58/62/722015862.db2.gz WMGVKERARMTPKN-UHFFFAOYSA-N 1 1 388.515 4.131 20 0 GIADMO Clc1ccnc2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ncc12 ZINC001164952554 722017174 /nfs/dbraw/zinc/01/71/74/722017174.db2.gz NKBUQYPLWBUOBL-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Clc1cc2cc[nH]c2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955298 722019576 /nfs/dbraw/zinc/01/95/76/722019576.db2.gz DWPWDEKERVQPIU-UHFFFAOYSA-N 1 1 381.911 4.055 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cc(Cl)ncn2)C3)c1 ZINC001164995060 722190843 /nfs/dbraw/zinc/19/08/43/722190843.db2.gz RQNBRENLWUYOTA-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cc(Cl)ncn2)C3)c1 ZINC001164995060 722190844 /nfs/dbraw/zinc/19/08/44/722190844.db2.gz RQNBRENLWUYOTA-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cc(Cl)ncn2)C3)c1 ZINC001164995063 722190945 /nfs/dbraw/zinc/19/09/45/722190945.db2.gz RQNBRENLWUYOTA-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cc(Cl)ncn2)C3)c1 ZINC001164995063 722190948 /nfs/dbraw/zinc/19/09/48/722190948.db2.gz RQNBRENLWUYOTA-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Cc1csc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164993237 722191197 /nfs/dbraw/zinc/19/11/97/722191197.db2.gz DEVGGUDQPHBWLD-NRFANRHFSA-N 1 1 382.508 4.384 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)cnc2Cl)C3)c1 ZINC001164993984 722198453 /nfs/dbraw/zinc/19/84/53/722198453.db2.gz KEJXBCROPBBCCH-SFHVURJKSA-N 1 1 381.282 4.167 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)cnc2Cl)C3)c1 ZINC001164993984 722198454 /nfs/dbraw/zinc/19/84/54/722198454.db2.gz KEJXBCROPBBCCH-SFHVURJKSA-N 1 1 381.282 4.167 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nnc(Cl)c4cccnc42)C3)c1 ZINC001164996010 722200554 /nfs/dbraw/zinc/20/05/54/722200554.db2.gz RJIQYMOHESHKAQ-OAQYLSRUSA-N 1 1 397.885 4.062 20 0 GIADMO COc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164995985 722205700 /nfs/dbraw/zinc/20/57/00/722205700.db2.gz RCYXYVVETOUWBP-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO CCc1cc2c(C[N@H+]3CCC[C@H]3C[C@H](O)c3cccs3)cc(=O)oc2cc1O ZINC000175814466 823046477 /nfs/dbraw/zinc/04/64/77/823046477.db2.gz NUDNSBDZTCVQCG-LPHOPBHVSA-N 1 1 399.512 4.211 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000175815618 823046691 /nfs/dbraw/zinc/04/66/91/823046691.db2.gz AKUCXRGDCNKBPI-XJKSGUPXSA-N 1 1 382.888 4.067 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000175815618 823046696 /nfs/dbraw/zinc/04/66/96/823046696.db2.gz AKUCXRGDCNKBPI-XJKSGUPXSA-N 1 1 382.888 4.067 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C)c1 ZINC000055805874 823046915 /nfs/dbraw/zinc/04/69/15/823046915.db2.gz IKYXNQSVJURMFB-QZTJIDSGSA-N 1 1 382.504 4.255 20 0 GIADMO CCn1nccc1C1CC[NH+]([C@H](C)c2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000570507292 823047905 /nfs/dbraw/zinc/04/79/05/823047905.db2.gz PQQGYHGPUWNAQO-CYBMUJFWSA-N 1 1 384.553 4.047 20 0 GIADMO CC(C)[N@H+]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000570513435 823048625 /nfs/dbraw/zinc/04/86/25/823048625.db2.gz XINVTUVSOMVFCV-UHFFFAOYSA-N 1 1 379.810 4.187 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1cc(Cl)ccc1F ZINC000175828539 823049399 /nfs/dbraw/zinc/04/93/99/823049399.db2.gz BNSWXZZBYUFRCM-XJKSGUPXSA-N 1 1 382.888 4.067 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1cc(Cl)ccc1F ZINC000175828539 823049402 /nfs/dbraw/zinc/04/94/02/823049402.db2.gz BNSWXZZBYUFRCM-XJKSGUPXSA-N 1 1 382.888 4.067 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CC1 ZINC000175830854 823050052 /nfs/dbraw/zinc/05/00/52/823050052.db2.gz KPYSRLPAFWQNHB-GOSISDBHSA-N 1 1 378.586 4.056 20 0 GIADMO CSCc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000187364100 823050263 /nfs/dbraw/zinc/05/02/63/823050263.db2.gz HFQQVIYUWZLMKI-LPHOPBHVSA-N 1 1 375.582 4.002 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000175832638 823050412 /nfs/dbraw/zinc/05/04/12/823050412.db2.gz YVCVBEZUBAWYAF-MSOLQXFVSA-N 1 1 383.517 4.118 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000175832638 823050417 /nfs/dbraw/zinc/05/04/17/823050417.db2.gz YVCVBEZUBAWYAF-MSOLQXFVSA-N 1 1 383.517 4.118 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000175843147 823052850 /nfs/dbraw/zinc/05/28/50/823052850.db2.gz ZXEFQQWQMRVNRP-CJNGLKHVSA-N 1 1 398.450 4.294 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000175843147 823052855 /nfs/dbraw/zinc/05/28/55/823052855.db2.gz ZXEFQQWQMRVNRP-CJNGLKHVSA-N 1 1 398.450 4.294 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC(C)(CC(F)(F)F)C2)cc1 ZINC000458545856 823053651 /nfs/dbraw/zinc/05/36/51/823053651.db2.gz ZCUNHYMHRNWUSF-ZDUSSCGKSA-N 1 1 380.414 4.226 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000175846500 823053734 /nfs/dbraw/zinc/05/37/34/823053734.db2.gz UFKXBKOUMRZNBT-GOSISDBHSA-N 1 1 388.537 4.060 20 0 GIADMO COc1cc(C[N@@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)ccc1OC(F)F ZINC000120729317 823053795 /nfs/dbraw/zinc/05/37/95/823053795.db2.gz JUFPWVLKXLQTEQ-KRWDZBQOSA-N 1 1 381.394 4.134 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NCc2nc3cc(C)ccc3n2C)cc1)C(C)C ZINC000187397692 823055561 /nfs/dbraw/zinc/05/55/61/823055561.db2.gz UPLKLFRTRDXPLF-UHFFFAOYSA-N 1 1 378.520 4.042 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)[C@H](C)C1 ZINC000120749195 823056789 /nfs/dbraw/zinc/05/67/89/823056789.db2.gz VHIRUMVSBDTWHT-CRAIPNDOSA-N 1 1 378.948 4.134 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2ncc(C)s2)ccc1OCc1c(C)noc1C ZINC000175859373 823056840 /nfs/dbraw/zinc/05/68/40/823056840.db2.gz YRIUXTLEJVESSF-AWEZNQCLSA-N 1 1 387.505 4.495 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000458591680 823060512 /nfs/dbraw/zinc/06/05/12/823060512.db2.gz XJYPHZVGLIYSMV-VQFNDLOPSA-N 1 1 397.485 4.127 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)c1ncc(Br)cc1F ZINC000187422021 823060799 /nfs/dbraw/zinc/06/07/99/823060799.db2.gz MRARHMANSNSZCK-KGLIPLIRSA-N 1 1 380.305 4.154 20 0 GIADMO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187422021 823060802 /nfs/dbraw/zinc/06/08/02/823060802.db2.gz MRARHMANSNSZCK-KGLIPLIRSA-N 1 1 380.305 4.154 20 0 GIADMO Cc1cnc([C@@H](NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175874197 823061015 /nfs/dbraw/zinc/06/10/15/823061015.db2.gz PAYBRKIUCYPEQS-JXFKEZNVSA-N 1 1 398.576 4.209 20 0 GIADMO C[C@@H]1C[C@@H](CCNC(=O)N2CC(C)(CC(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000458606960 823062865 /nfs/dbraw/zinc/06/28/65/823062865.db2.gz WZBCXAXDFIXKLM-SJLPKXTDSA-N 1 1 397.485 4.271 20 0 GIADMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1ccccc1 ZINC000187434042 823062973 /nfs/dbraw/zinc/06/29/73/823062973.db2.gz SFLYLEHNIGWBKY-RBTNQOKQSA-N 1 1 398.503 4.009 20 0 GIADMO C[C@@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)c1nc(C(F)(F)F)cs1 ZINC000570622687 823063740 /nfs/dbraw/zinc/06/37/40/823063740.db2.gz CRIAQUSKIOYLBT-DOMZBBRYSA-N 1 1 396.434 4.406 20 0 GIADMO COc1cccc2c(N3CCC[C@H](c4nnc5n4CCCCC5)C3)cc(C)[nH+]c12 ZINC000120785608 823063749 /nfs/dbraw/zinc/06/37/49/823063749.db2.gz WVXAWYARQXFDNC-KRWDZBQOSA-N 1 1 391.519 4.254 20 0 GIADMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000175901963 823067676 /nfs/dbraw/zinc/06/76/76/823067676.db2.gz BKXVYZHOZWOKDI-GOSISDBHSA-N 1 1 399.604 4.301 20 0 GIADMO C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458622353 823065083 /nfs/dbraw/zinc/06/50/83/823065083.db2.gz BGJNVCPGKKCPOT-OVWQWFNUSA-N 1 1 389.506 4.450 20 0 GIADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000120795161 823065639 /nfs/dbraw/zinc/06/56/39/823065639.db2.gz FDBJLSGTYQDWGA-DJJJIMSYSA-N 1 1 396.503 4.311 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187449376 823065727 /nfs/dbraw/zinc/06/57/27/823065727.db2.gz WXMKUNMHDQOELM-RKOGDMNLSA-N 1 1 385.508 4.001 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187449376 823065731 /nfs/dbraw/zinc/06/57/31/823065731.db2.gz WXMKUNMHDQOELM-RKOGDMNLSA-N 1 1 385.508 4.001 20 0 GIADMO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000120795765 823065744 /nfs/dbraw/zinc/06/57/44/823065744.db2.gz QKZOGXJBLKYVNS-PGRDOPGGSA-N 1 1 379.504 4.131 20 0 GIADMO C[C@H](NC(=O)N1CCc2cccc(Cl)c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458629249 823066584 /nfs/dbraw/zinc/06/65/84/823066584.db2.gz IWSTVLXYXANNPJ-RDJZCZTQSA-N 1 1 375.944 4.061 20 0 GIADMO CN(C)C(=O)CC1CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000187466691 823068512 /nfs/dbraw/zinc/06/85/12/823068512.db2.gz HLEISBIHLCCBPE-UHFFFAOYSA-N 1 1 377.941 4.154 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187465067 823068653 /nfs/dbraw/zinc/06/86/53/823068653.db2.gz MAWXYCUBCKXJEK-XJKSGUPXSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187465067 823068657 /nfs/dbraw/zinc/06/86/57/823068657.db2.gz MAWXYCUBCKXJEK-XJKSGUPXSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187465080 823068708 /nfs/dbraw/zinc/06/87/08/823068708.db2.gz MAWXYCUBCKXJEK-BBRMVZONSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187465080 823068718 /nfs/dbraw/zinc/06/87/18/823068718.db2.gz MAWXYCUBCKXJEK-BBRMVZONSA-N 1 1 387.833 4.038 20 0 GIADMO FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@H]3CCCOC3)n2)c1 ZINC000570679257 823071191 /nfs/dbraw/zinc/07/11/91/823071191.db2.gz QTDVRKLHXPYTPH-GOEBONIOSA-N 1 1 381.398 4.146 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2nc(-c3ccccc3F)no2)C[C@H](C)O1 ZINC000187478717 823071481 /nfs/dbraw/zinc/07/14/81/823071481.db2.gz KIBSRRRBQKWYGT-IYBDPMFKSA-N 1 1 396.466 4.097 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2nc(-c3ccccc3F)no2)C[C@H](C)O1 ZINC000187478717 823071483 /nfs/dbraw/zinc/07/14/83/823071483.db2.gz KIBSRRRBQKWYGT-IYBDPMFKSA-N 1 1 396.466 4.097 20 0 GIADMO C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000120832651 823073541 /nfs/dbraw/zinc/07/35/41/823073541.db2.gz QEQAZRMALDXXLS-RBUKOAKNSA-N 1 1 385.527 4.152 20 0 GIADMO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCC(CC(F)(F)F)CC2)c(C)c1 ZINC000570704305 823073928 /nfs/dbraw/zinc/07/39/28/823073928.db2.gz 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C[C@@H]1C[C@@H](NC(=O)Cc2csc(-c3ccoc3)n2)CC[N@H+]1Cc1ccccc1 ZINC000176129993 823130977 /nfs/dbraw/zinc/13/09/77/823130977.db2.gz HKBKTUSJCHTLLQ-APWZRJJASA-N 1 1 395.528 4.115 20 0 GIADMO Cc1cc(CNC(=O)Nc2ccc(Br)cc2)cc(N2CCCC2)[nH+]1 ZINC000571092295 823131151 /nfs/dbraw/zinc/13/11/51/823131151.db2.gz KWSCBZRBWCRASS-UHFFFAOYSA-N 1 1 389.297 4.074 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC000121168387 823131363 /nfs/dbraw/zinc/13/13/63/823131363.db2.gz CKYCQLMYBHIYNA-UHFFFAOYSA-N 1 1 375.472 4.174 20 0 GIADMO COc1ccc(Cl)cc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176131737 823131613 /nfs/dbraw/zinc/13/16/13/823131613.db2.gz CBVJHDDZNWHBHV-JXFKEZNVSA-N 1 1 386.923 4.060 20 0 GIADMO C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)c1cccc(F)c1 ZINC000176134195 823132310 /nfs/dbraw/zinc/13/23/10/823132310.db2.gz OVVNSMMVTLRJJC-FGSXEWAUSA-N 1 1 396.506 4.204 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)C1 ZINC000459132240 823132527 /nfs/dbraw/zinc/13/25/27/823132527.db2.gz BLXIKOVGAPEZRD-NEPXVJNWSA-N 1 1 392.613 4.130 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)C1 ZINC000459132241 823132601 /nfs/dbraw/zinc/13/26/01/823132601.db2.gz BLXIKOVGAPEZRD-PBWTXFEYSA-N 1 1 392.613 4.130 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H](C)Cc1ccsc1 ZINC000187789718 823133551 /nfs/dbraw/zinc/13/35/51/823133551.db2.gz KDEHTFZKOCITMY-CYBMUJFWSA-N 1 1 396.940 4.310 20 0 GIADMO CCSc1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)ccn1 ZINC000187792906 823134193 /nfs/dbraw/zinc/13/41/93/823134193.db2.gz LKMAXWOYYYFCCJ-ICSRJNTNSA-N 1 1 391.968 4.009 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000176144612 823134945 /nfs/dbraw/zinc/13/49/45/823134945.db2.gz IAJVLSHGERMLAM-QGZVFWFLSA-N 1 1 380.488 4.092 20 0 GIADMO C[N@@H+](CCCCNC(=O)N(Cc1ccc(F)cc1F)C1CCCC1)C1CC1 ZINC000459149684 823135246 /nfs/dbraw/zinc/13/52/46/823135246.db2.gz GXYMVLLGLZTJTG-UHFFFAOYSA-N 1 1 379.495 4.293 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(-c2ccccc2)cc1OC ZINC000121205312 823138367 /nfs/dbraw/zinc/13/83/67/823138367.db2.gz VKTKHXZTQUOYJI-GOSISDBHSA-N 1 1 377.488 4.474 20 0 GIADMO COc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(-c2ccccc2)cc1OC ZINC000121205312 823138370 /nfs/dbraw/zinc/13/83/70/823138370.db2.gz VKTKHXZTQUOYJI-GOSISDBHSA-N 1 1 377.488 4.474 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(-c2ccccc2)cc1OC ZINC000121205312 823138376 /nfs/dbraw/zinc/13/83/76/823138376.db2.gz VKTKHXZTQUOYJI-GOSISDBHSA-N 1 1 377.488 4.474 20 0 GIADMO CC(=O)c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000121214708 823140027 /nfs/dbraw/zinc/14/00/27/823140027.db2.gz NGZNIARIGYYGCX-JTSKRJEESA-N 1 1 379.504 4.406 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000121229837 823143232 /nfs/dbraw/zinc/14/32/32/823143232.db2.gz KPYOPFMIFRPQJQ-AVRDEDQJSA-N 1 1 383.511 4.063 20 0 GIADMO Cc1ncc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000056401894 823144015 /nfs/dbraw/zinc/14/40/15/823144015.db2.gz GWBLJBANKPRVNI-INIZCTEOSA-N 1 1 386.565 4.168 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000176175362 823145107 /nfs/dbraw/zinc/14/51/07/823145107.db2.gz CEJIAPBRDJJLIC-AWEZNQCLSA-N 1 1 377.419 4.486 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459219940 823146715 /nfs/dbraw/zinc/14/67/15/823146715.db2.gz RJFFPFFSMKWATJ-NFBKMPQASA-N 1 1 394.563 4.099 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000459245156 823151082 /nfs/dbraw/zinc/15/10/82/823151082.db2.gz BGVNVGQASJTQGF-MRXNPFEDSA-N 1 1 379.495 4.151 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000121265515 823151159 /nfs/dbraw/zinc/15/11/59/823151159.db2.gz NXXPGKVUDMTQFM-FQEVSTJZSA-N 1 1 397.519 4.317 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000121265515 823151161 /nfs/dbraw/zinc/15/11/61/823151161.db2.gz NXXPGKVUDMTQFM-FQEVSTJZSA-N 1 1 397.519 4.317 20 0 GIADMO CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000176185352 823147906 /nfs/dbraw/zinc/14/79/06/823147906.db2.gz PAMLRXULVXXUAV-DOTOQJQBSA-N 1 1 391.471 4.028 20 0 GIADMO COc1ccc(CCCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000176187926 823148209 /nfs/dbraw/zinc/14/82/09/823148209.db2.gz LMJUWSXGOYJIIK-KRWDZBQOSA-N 1 1 377.488 4.389 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2sccc2OC(F)F)cc1 ZINC000176186748 823148217 /nfs/dbraw/zinc/14/82/17/823148217.db2.gz OODPRNMDWDHSPR-LLVKDONJSA-N 1 1 377.416 4.335 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2nc(C(C)C)ncc2Cl)cc1 ZINC000176187638 823148228 /nfs/dbraw/zinc/14/82/28/823148228.db2.gz OHNNGDWHJRWIPR-ZDUSSCGKSA-N 1 1 383.883 4.239 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000176189126 823148437 /nfs/dbraw/zinc/14/84/37/823148437.db2.gz FHTHVWCHHRYCFJ-GOSISDBHSA-N 1 1 389.499 4.106 20 0 GIADMO Cn1c[nH+]cc1CCCN1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000571222613 823151284 /nfs/dbraw/zinc/15/12/84/823151284.db2.gz UFIBYCAFJXSAIT-GOSISDBHSA-N 1 1 395.334 4.153 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)c2ncc[nH]2)cc1 ZINC000187867682 823149290 /nfs/dbraw/zinc/14/92/90/823149290.db2.gz VRYYKPVGMHAEKR-KRWDZBQOSA-N 1 1 379.357 4.326 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cnn(C)c2C(F)(F)F)[C@H](C)C2CC2)c(OC)c1 ZINC000571228258 823151841 /nfs/dbraw/zinc/15/18/41/823151841.db2.gz ZLGGTBSXKZTASB-CYBMUJFWSA-N 1 1 397.441 4.257 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cnn(C)c2C(F)(F)F)[C@@H](C)C2CC2)c(OC)c1 ZINC000571228259 823151925 /nfs/dbraw/zinc/15/19/25/823151925.db2.gz ZLGGTBSXKZTASB-ZDUSSCGKSA-N 1 1 397.441 4.257 20 0 GIADMO Cc1cnn(-c2ccc(C)cc2NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000571236626 823153156 /nfs/dbraw/zinc/15/31/56/823153156.db2.gz HWBYLXKBBCWBEP-OALUTQOASA-N 1 1 395.551 4.264 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000459269055 823153951 /nfs/dbraw/zinc/15/39/51/823153951.db2.gz SOJNFZUPKJJHFP-MAUKXSAKSA-N 1 1 394.357 4.028 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCc1nnc(C(C)(C)C)[nH]1)C1CCCCC1 ZINC000459266454 823154156 /nfs/dbraw/zinc/15/41/56/823154156.db2.gz RRYWLBDZTRCZEZ-UHFFFAOYSA-N 1 1 398.555 4.188 20 0 GIADMO C[N@H+](Cc1ccccc1NC(=O)NCc1n[nH]c(C(C)(C)C)n1)C1CCCCC1 ZINC000459266454 823154159 /nfs/dbraw/zinc/15/41/59/823154159.db2.gz RRYWLBDZTRCZEZ-UHFFFAOYSA-N 1 1 398.555 4.188 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCc1n[nH]c(C(C)(C)C)n1)C1CCCCC1 ZINC000459266454 823154162 /nfs/dbraw/zinc/15/41/62/823154162.db2.gz RRYWLBDZTRCZEZ-UHFFFAOYSA-N 1 1 398.555 4.188 20 0 GIADMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1csc(-c2cccc(OC)c2)n1)c1ccccc1 ZINC000176222046 823156505 /nfs/dbraw/zinc/15/65/05/823156505.db2.gz RQMNIZAEZUWCLF-FOIQADDNSA-N 1 1 396.512 4.459 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H](c1cccnc1)C1CC1 ZINC000571254140 823156553 /nfs/dbraw/zinc/15/65/53/823156553.db2.gz YRGSMZIUPMKVOF-REWPJTCUSA-N 1 1 392.547 4.134 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(O)c(OCC)c1 ZINC000459280045 823155891 /nfs/dbraw/zinc/15/58/91/823155891.db2.gz ANAVIENYRSPYMX-UHFFFAOYSA-N 1 1 396.409 4.059 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(O)c(OCC)c1 ZINC000459280045 823155892 /nfs/dbraw/zinc/15/58/92/823155892.db2.gz ANAVIENYRSPYMX-UHFFFAOYSA-N 1 1 396.409 4.059 20 0 GIADMO O=C(Nc1ccc(N2CCCCC2)cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056523576 823161577 /nfs/dbraw/zinc/16/15/77/823161577.db2.gz KUENYCDCILZSKY-UHFFFAOYSA-N 1 1 398.576 4.131 20 0 GIADMO CSc1ccccc1NC(=O)C[N@@H+](C)CCCC(=O)Nc1c(C)cccc1C ZINC000176243921 823161612 /nfs/dbraw/zinc/16/16/12/823161612.db2.gz IWBQEOSNYOYVKL-UHFFFAOYSA-N 1 1 399.560 4.315 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCC(=O)c2cccn21)C1CCCCC1 ZINC000571273794 823159251 /nfs/dbraw/zinc/15/92/51/823159251.db2.gz RUJZCKRXRZOEQY-OAQYLSRUSA-N 1 1 379.504 4.409 20 0 GIADMO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000176234055 823159484 /nfs/dbraw/zinc/15/94/84/823159484.db2.gz CPYFLWCTRBGOHX-NVXWUHKLSA-N 1 1 376.953 4.186 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000121306379 823159799 /nfs/dbraw/zinc/15/97/99/823159799.db2.gz UWHQMNQMCJIINC-NRFANRHFSA-N 1 1 386.511 4.327 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C2 ZINC000056508009 823159824 /nfs/dbraw/zinc/15/98/24/823159824.db2.gz YPQJWTCRZXXNGY-UHFFFAOYSA-N 1 1 378.394 4.144 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21)C1CCCCC1 ZINC000459314183 823159888 /nfs/dbraw/zinc/15/98/88/823159888.db2.gz QGCMTNCEUDEBEE-IRLDBZIGSA-N 1 1 397.563 4.484 20 0 GIADMO C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000187954820 823163284 /nfs/dbraw/zinc/16/32/84/823163284.db2.gz UPKKRJAIGHGQFT-QFYYESIMSA-N 1 1 379.715 4.068 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000176252687 823163426 /nfs/dbraw/zinc/16/34/26/823163426.db2.gz COYGBYUMYOWHPY-GXTWGEPZSA-N 1 1 381.307 4.434 20 0 GIADMO COc1ccc([C@H](C)CC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000176268401 823167979 /nfs/dbraw/zinc/16/79/79/823167979.db2.gz RJVKGWUNJGGLDX-MSOLQXFVSA-N 1 1 382.504 4.221 20 0 GIADMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000121370466 823171797 /nfs/dbraw/zinc/17/17/97/823171797.db2.gz ORQGYJLDHYLVPE-KDOFPFPSSA-N 1 1 395.503 4.426 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)CCc3cc(Cl)cc(Cl)c3)CC2)[nH+]1 ZINC000121356266 823169362 /nfs/dbraw/zinc/16/93/62/823169362.db2.gz HNPFMLUIPIVMJE-UHFFFAOYSA-N 1 1 392.330 4.415 20 0 GIADMO Cc1cc(C)n(-c2cccc(NC(=O)N(C)CCC[N@@H+](C)Cc3ccco3)c2)n1 ZINC000571353537 823169808 /nfs/dbraw/zinc/16/98/08/823169808.db2.gz IBLSHRKUAQTSON-UHFFFAOYSA-N 1 1 395.507 4.068 20 0 GIADMO CCCO[C@H]1CCC[N@@H+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459354784 823169902 /nfs/dbraw/zinc/16/99/02/823169902.db2.gz SRSZOAUAZPAGPH-HNNXBMFYSA-N 1 1 386.330 4.335 20 0 GIADMO Clc1cnn(CC[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000459361149 823171952 /nfs/dbraw/zinc/17/19/52/823171952.db2.gz FUXUCYJCDUVCTF-AWEZNQCLSA-N 1 1 392.290 4.120 20 0 GIADMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cs1 ZINC000459360227 823171361 /nfs/dbraw/zinc/17/13/61/823171361.db2.gz RDMINCHLJBKGTJ-CUWPLCDZSA-N 1 1 385.577 4.162 20 0 GIADMO CC(C)c1ccccc1NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571366626 823172346 /nfs/dbraw/zinc/17/23/46/823172346.db2.gz GACTXVYPUFSVBY-VXKWHMMOSA-N 1 1 391.559 4.202 20 0 GIADMO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1cccs1 ZINC000571366380 823172360 /nfs/dbraw/zinc/17/23/60/823172360.db2.gz ZITFTMBVTWBCHM-DFNIBXOVSA-N 1 1 386.561 4.393 20 0 GIADMO O=C(N[C@H](c1ccco1)c1ccccc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056576775 823173371 /nfs/dbraw/zinc/17/33/71/823173371.db2.gz RDMOXWACVYZGLU-NRFANRHFSA-N 1 1 395.528 4.000 20 0 GIADMO CC[C@@H]([NH2+]Cc1cccc(O)c1Br)c1ccc2c(c1)OCCO2 ZINC000459367431 823174254 /nfs/dbraw/zinc/17/42/54/823174254.db2.gz FDYSQEZIVKCPSX-CQSZACIVSA-N 1 1 378.266 4.167 20 0 GIADMO CC(C)c1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccccc1Cl ZINC000188042078 823175970 /nfs/dbraw/zinc/17/59/70/823175970.db2.gz JMWKQEFJXICFQX-HZPDHXFCSA-N 1 1 388.943 4.204 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000176306034 823177554 /nfs/dbraw/zinc/17/75/54/823177554.db2.gz RQGZMHYJXLJCST-UHFFFAOYSA-N 1 1 394.441 4.022 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)c2ccc(F)cc2)cc1 ZINC000459378514 823177550 /nfs/dbraw/zinc/17/75/50/823177550.db2.gz OOZNQRWBPDABTC-OAQYLSRUSA-N 1 1 379.435 4.087 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000571442561 823183043 /nfs/dbraw/zinc/18/30/43/823183043.db2.gz UVDZHEUJDRWTKR-JOCHJYFZSA-N 1 1 384.882 4.454 20 0 GIADMO CCN(C(=O)NCc1noc2ccccc12)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000571417887 823180087 /nfs/dbraw/zinc/18/00/87/823180087.db2.gz VCTGUIBRDITTGU-IEBWSBKVSA-N 1 1 392.503 4.195 20 0 GIADMO Cc1cc(C(=O)C[NH+]2CCC(OCCC(C)C)CC2)c(C)n1-c1nccs1 ZINC000176315777 823180225 /nfs/dbraw/zinc/18/02/25/823180225.db2.gz NYXDLBXYAHBCQB-UHFFFAOYSA-N 1 1 389.565 4.260 20 0 GIADMO CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000176317136 823180461 /nfs/dbraw/zinc/18/04/61/823180461.db2.gz CHLUOPJSDUSLSK-NWDGAFQWSA-N 1 1 378.822 4.044 20 0 GIADMO C[C@H]1CN(c2ccccc2C[NH2+]Cc2cc(F)ccc2Br)CCO1 ZINC000459393351 823181764 /nfs/dbraw/zinc/18/17/64/823181764.db2.gz QQXRODXSPMIYRB-AWEZNQCLSA-N 1 1 393.300 4.103 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)NC1CCC(C(F)F)CC1 ZINC000459393726 823182032 /nfs/dbraw/zinc/18/20/32/823182032.db2.gz RYDLCYFWVDHQIG-UHFFFAOYSA-N 1 1 383.508 4.181 20 0 GIADMO CC(=O)Nc1cc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)ccc1C ZINC000056618443 823182150 /nfs/dbraw/zinc/18/21/50/823182150.db2.gz AUVGQDALRAEVMG-UHFFFAOYSA-N 1 1 386.540 4.073 20 0 GIADMO C[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cc(Cl)ccc1Cl ZINC000188081261 823183507 /nfs/dbraw/zinc/18/35/07/823183507.db2.gz BYZJLTVHEMXTRS-CYBMUJFWSA-N 1 1 395.334 4.452 20 0 GIADMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)C1 ZINC000176325883 823182425 /nfs/dbraw/zinc/18/24/25/823182425.db2.gz CCMVBMRANYSSAX-AWEZNQCLSA-N 1 1 393.940 4.069 20 0 GIADMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)C1 ZINC000176325883 823182426 /nfs/dbraw/zinc/18/24/26/823182426.db2.gz CCMVBMRANYSSAX-AWEZNQCLSA-N 1 1 393.940 4.069 20 0 GIADMO FC1(F)CC[N@@H+](Cc2ccccc2)C[C@H]1c1nc(-c2n[nH]c3ccccc32)no1 ZINC000571446893 823183967 /nfs/dbraw/zinc/18/39/67/823183967.db2.gz WHRZONJLCKACCY-INIZCTEOSA-N 1 1 395.413 4.238 20 0 GIADMO C[C@@H]1C[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CCC1(F)F ZINC000571450938 823184497 /nfs/dbraw/zinc/18/44/97/823184497.db2.gz HYTOIKHPOYOKMF-CYBMUJFWSA-N 1 1 390.396 4.174 20 0 GIADMO C[C@@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CCC1(F)F ZINC000571450938 823184498 /nfs/dbraw/zinc/18/44/98/823184498.db2.gz HYTOIKHPOYOKMF-CYBMUJFWSA-N 1 1 390.396 4.174 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNCc1ccc(OCCC[NH+](C)C)cc1 ZINC000459401905 823184793 /nfs/dbraw/zinc/18/47/93/823184793.db2.gz JENYVFMSUUFTRZ-UHFFFAOYSA-N 1 1 398.576 4.202 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3c(F)cccc3Cl)c2)C[C@H](C)O1 ZINC000121440485 823185041 /nfs/dbraw/zinc/18/50/41/823185041.db2.gz GHBCORADKCBWKJ-KBPBESRZSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459421272 823188941 /nfs/dbraw/zinc/18/89/41/823188941.db2.gz DUFSDWCQBLROIV-HNNXBMFYSA-N 1 1 386.508 4.045 20 0 GIADMO CCC[C@H](C(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)C(C)C ZINC000121454634 823187631 /nfs/dbraw/zinc/18/76/31/823187631.db2.gz MXLBGJLJWCPEBA-FQEVSTJZSA-N 1 1 389.584 4.202 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccco1 ZINC000121480682 823192254 /nfs/dbraw/zinc/19/22/54/823192254.db2.gz TYTMOCZOASMPKW-HOTGVXAUSA-N 1 1 399.516 4.358 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccco1 ZINC000121480682 823192259 /nfs/dbraw/zinc/19/22/59/823192259.db2.gz TYTMOCZOASMPKW-HOTGVXAUSA-N 1 1 399.516 4.358 20 0 GIADMO COCc1cc(C[NH2+][C@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000459457221 823195812 /nfs/dbraw/zinc/19/58/12/823195812.db2.gz FWOXMMQGIMIKJZ-RBUKOAKNSA-N 1 1 395.906 4.317 20 0 GIADMO CC[C@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1c(C)noc1C ZINC000121507803 823196924 /nfs/dbraw/zinc/19/69/24/823196924.db2.gz UXMFOHTZKIWEKR-MDOVXXIYSA-N 1 1 385.508 4.033 20 0 GIADMO CC[C@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1c(C)noc1C ZINC000121507803 823196927 /nfs/dbraw/zinc/19/69/27/823196927.db2.gz UXMFOHTZKIWEKR-MDOVXXIYSA-N 1 1 385.508 4.033 20 0 GIADMO C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)CCN3)C[N@H+]1Cc1ccccc1 ZINC000571533634 823197238 /nfs/dbraw/zinc/19/72/38/823197238.db2.gz AJCFDCRZTZCQBX-IEBWSBKVSA-N 1 1 378.520 4.077 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cccc4ncccc43)c2)C[C@H](C)O1 ZINC000121515903 823198247 /nfs/dbraw/zinc/19/82/47/823198247.db2.gz GWSCKUIQJZGGAT-IRXDYDNUSA-N 1 1 375.472 4.096 20 0 GIADMO CC[C@@H](C)Oc1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000056728914 823201421 /nfs/dbraw/zinc/20/14/21/823201421.db2.gz ZRESGNGJRDPSAP-GOSISDBHSA-N 1 1 397.519 4.018 20 0 GIADMO CCCN(C(=O)NCc1ccn(C(C)C)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000571603118 823206408 /nfs/dbraw/zinc/20/64/08/823206408.db2.gz DXVOYATVTICKFL-QFIPXVFZSA-N 1 1 397.567 4.050 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(Oc3ccc(C)c(C)c3)nc1)C2 ZINC000571573007 823202393 /nfs/dbraw/zinc/20/23/93/823202393.db2.gz KDNREHLQLVUDQN-KRWDZBQOSA-N 1 1 376.460 4.197 20 0 GIADMO C[N@@H+](CCc1ccccc1O)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459493586 823203575 /nfs/dbraw/zinc/20/35/75/823203575.db2.gz ZQBSOTSSKUPURM-UHFFFAOYSA-N 1 1 376.504 4.440 20 0 GIADMO COc1ccccc1[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000121564535 823206634 /nfs/dbraw/zinc/20/66/34/823206634.db2.gz HIKIMIUGVGRKHQ-HWHXTQLESA-N 1 1 387.527 4.432 20 0 GIADMO O=C1CCc2nc(N3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)ccc21 ZINC000571593699 823204893 /nfs/dbraw/zinc/20/48/93/823204893.db2.gz DERFTSXLUPENNV-UHFFFAOYSA-N 1 1 381.479 4.103 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(COC(C)(C)C)on2)[C@H]1Sc1ccccc1 ZINC000459497863 823204937 /nfs/dbraw/zinc/20/49/37/823204937.db2.gz KEEHDCKBVMJAOV-XUVXKRRUSA-N 1 1 390.549 4.418 20 0 GIADMO Cc1cnc([C@H](C)NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000176434213 823206786 /nfs/dbraw/zinc/20/67/86/823206786.db2.gz DCJYQSISCKUQGN-RDJZCZTQSA-N 1 1 386.565 4.244 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459512410 823208348 /nfs/dbraw/zinc/20/83/48/823208348.db2.gz DTEWFIMGSGHXOJ-UHFFFAOYSA-N 1 1 384.907 4.151 20 0 GIADMO CCOc1c(Br)cc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000188249039 823209047 /nfs/dbraw/zinc/20/90/47/823209047.db2.gz HJRZIBPTUSDJIR-QGZVFWFLSA-N 1 1 398.341 4.247 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459519433 823210149 /nfs/dbraw/zinc/21/01/49/823210149.db2.gz JYNYVCGNYSRJFD-MRXNPFEDSA-N 1 1 384.907 4.231 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459522528 823210673 /nfs/dbraw/zinc/21/06/73/823210673.db2.gz IMOLLTBQDJDVKR-GOSISDBHSA-N 1 1 380.561 4.193 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459522528 823210674 /nfs/dbraw/zinc/21/06/74/823210674.db2.gz IMOLLTBQDJDVKR-GOSISDBHSA-N 1 1 380.561 4.193 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccsc2Br)CCO1 ZINC000459529656 823212482 /nfs/dbraw/zinc/21/24/82/823212482.db2.gz CNNSPYCFLIKNQW-CYBMUJFWSA-N 1 1 381.339 4.026 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)c3nc(C(C)(C)C)no3)C2)s1 ZINC000571645823 823213893 /nfs/dbraw/zinc/21/38/93/823213893.db2.gz ISQWZPRFVUDXOA-HOTGVXAUSA-N 1 1 376.570 4.252 20 0 GIADMO Fc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ncc[nH]2)cc1 ZINC000188288706 823214675 /nfs/dbraw/zinc/21/46/75/823214675.db2.gz QMIPUTCCXNPLJQ-DNVCBOLYSA-N 1 1 388.849 4.299 20 0 GIADMO FC(F)OC[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459536970 823214802 /nfs/dbraw/zinc/21/48/02/823214802.db2.gz MNYRGOASEMWJGG-OAHLLOKOSA-N 1 1 376.451 4.121 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000459563305 823220807 /nfs/dbraw/zinc/22/08/07/823220807.db2.gz CTKMLRKQZOTZMB-QFIPXVFZSA-N 1 1 399.535 4.148 20 0 GIADMO C[C@H](C[NH+]1CC(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459564287 823221306 /nfs/dbraw/zinc/22/13/06/823221306.db2.gz QHMASIAKOGRFDA-OAHLLOKOSA-N 1 1 377.937 4.022 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cnc3onc(C(C)(C)C)c3c2)C1 ZINC000409453925 823222524 /nfs/dbraw/zinc/22/25/24/823222524.db2.gz BRZNHOATPOVSNL-MAUKXSAKSA-N 1 1 392.503 4.086 20 0 GIADMO CC1(C)CN(Cc2cnc(C3CC3)nc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459570703 823222682 /nfs/dbraw/zinc/22/26/82/823222682.db2.gz NIOFNMCGBXXUTA-HSZRJFAPSA-N 1 1 390.575 4.477 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188348994 823223534 /nfs/dbraw/zinc/22/35/34/823223534.db2.gz TZUHBPKZWIIATA-XMMPIXPASA-N 1 1 395.547 4.219 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc3ccc(F)cc3nc2C)cc1F ZINC000409458485 823224005 /nfs/dbraw/zinc/22/40/05/823224005.db2.gz VAGAMDFUABXNAS-UHFFFAOYSA-N 1 1 392.409 4.246 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000459580328 823224589 /nfs/dbraw/zinc/22/45/89/823224589.db2.gz PDMXSXZIBQBXQQ-XKCSPQBFSA-N 1 1 381.516 4.032 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2cccc(O)c2Br)c2ccccc2)CCC1 ZINC000459580553 823224727 /nfs/dbraw/zinc/22/47/27/823224727.db2.gz BHFUACQNDXCBAR-SFHVURJKSA-N 1 1 376.294 4.148 20 0 GIADMO COc1cc(C[NH+]2CC(C)(CO)C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000459619857 823230890 /nfs/dbraw/zinc/23/08/90/823230890.db2.gz JJYNSFKGZVZKHH-UHFFFAOYSA-N 1 1 395.421 4.107 20 0 GIADMO CCc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)c2cncc(F)c2)c2cccs2)cc1 ZINC000459622699 823231315 /nfs/dbraw/zinc/23/13/15/823231315.db2.gz QKFKVVDOGGUXEN-NYHFZMIOSA-N 1 1 397.519 4.401 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccccc1Br ZINC000459628496 823232386 /nfs/dbraw/zinc/23/23/86/823232386.db2.gz CUNBUGBVVUACIW-GHMZBOCLSA-N 1 1 394.338 4.072 20 0 GIADMO CCN(C(=O)C[NH2+][C@H](C)c1nc2c(s1)CCC2)[C@@H](C)c1ccc(F)cc1 ZINC000459628578 823232399 /nfs/dbraw/zinc/23/23/99/823232399.db2.gz DBGXFYADIABHED-KGLIPLIRSA-N 1 1 375.513 4.031 20 0 GIADMO CC(C)(C)Oc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000176543131 823233213 /nfs/dbraw/zinc/23/32/13/823233213.db2.gz KIBCSMCNLQOZGN-NRFANRHFSA-N 1 1 382.504 4.000 20 0 GIADMO COc1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)ccc1Cl ZINC000121702125 823233511 /nfs/dbraw/zinc/23/35/11/823233511.db2.gz HUTHOHDEYCVWFD-UHFFFAOYSA-N 1 1 376.909 4.150 20 0 GIADMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459633963 823233845 /nfs/dbraw/zinc/23/38/45/823233845.db2.gz GYKLARNTIBRYDN-JKSUJKDBSA-N 1 1 383.561 4.110 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000176545173 823233928 /nfs/dbraw/zinc/23/39/28/823233928.db2.gz DGCNXJYYHCFFEH-MSOLQXFVSA-N 1 1 380.488 4.186 20 0 GIADMO C[C@H](NC/C=C\C[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459634774 823234048 /nfs/dbraw/zinc/23/40/48/823234048.db2.gz RXXMZBOKTBUWOU-NMEQGOOXSA-N 1 1 388.606 4.135 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1nc2c(s1)CCC2 ZINC000459634415 823234116 /nfs/dbraw/zinc/23/41/16/823234116.db2.gz MWZOWZWKSFSMHA-WDEREUQCSA-N 1 1 383.439 4.328 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409501231 823235704 /nfs/dbraw/zinc/23/57/04/823235704.db2.gz LXMBBLPPQREYAC-GMBSWORKSA-N 1 1 396.934 4.183 20 0 GIADMO COc1ccc([C@@H](NC2CC[NH+](Cc3ccccn3)CC2)c2ccco2)cc1 ZINC000571802743 823236262 /nfs/dbraw/zinc/23/62/62/823236262.db2.gz HDAOYOJTRLXSHT-HSZRJFAPSA-N 1 1 377.488 4.027 20 0 GIADMO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccc(SC)c(OC)c3)n2)cc1 ZINC000121726741 823238035 /nfs/dbraw/zinc/23/80/35/823238035.db2.gz LBONBRNOCPRGEN-HNNXBMFYSA-N 1 1 383.517 4.462 20 0 GIADMO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000176587111 823242447 /nfs/dbraw/zinc/24/24/47/823242447.db2.gz YOCJRWPZLUQGJS-HUUCEWRRSA-N 1 1 391.968 4.169 20 0 GIADMO CN(CC(F)(F)F)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409524094 823240750 /nfs/dbraw/zinc/24/07/50/823240750.db2.gz WJGGZEYOMPOUSW-UHFFFAOYSA-N 1 1 391.437 4.008 20 0 GIADMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1SC ZINC000459655130 823240844 /nfs/dbraw/zinc/24/08/44/823240844.db2.gz DHPHHQLAPSCYPN-UHFFFAOYSA-N 1 1 385.533 4.157 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176580979 823241384 /nfs/dbraw/zinc/24/13/84/823241384.db2.gz RALBZENRMIUGLI-RHSMWYFYSA-N 1 1 391.437 4.192 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)CSc2nc3ccccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000176581429 823241468 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C[C@H]1C[C@@H](NC(=O)C2(Cc3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000188494653 823250593 /nfs/dbraw/zinc/25/05/93/823250593.db2.gz WKCLDUPQLLJYTG-RXVVDRJESA-N 1 1 380.507 4.318 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCCC3CCOCC3)cc2)C1 ZINC000409575642 823252631 /nfs/dbraw/zinc/25/26/31/823252631.db2.gz LMZXWAFJJKHNOV-BGYRXZFFSA-N 1 1 386.580 4.378 20 0 GIADMO CC(C)(CNCC1=Cc2cc(Br)ccc2OC1)[NH+]1CCCCC1 ZINC000409575775 823252788 /nfs/dbraw/zinc/25/27/88/823252788.db2.gz SDVFTWWIWSNRKI-UHFFFAOYSA-N 1 1 379.342 4.079 20 0 GIADMO CCOC[C@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000459719650 823256215 /nfs/dbraw/zinc/25/62/15/823256215.db2.gz RVYJIFXXTMXCML-LJQANCHMSA-N 1 1 387.549 4.024 20 0 GIADMO CCOC[C@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000459719650 823256219 /nfs/dbraw/zinc/25/62/19/823256219.db2.gz RVYJIFXXTMXCML-LJQANCHMSA-N 1 1 387.549 4.024 20 0 GIADMO Cc1cc(Br)ccc1-c1noc([C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000571932573 823256430 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382.348 4.195 20 0 GIADMO Cc1nnc([C@@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC000459748781 823260005 /nfs/dbraw/zinc/26/00/05/823260005.db2.gz IAMMMHTUBIBQLB-GQWLDOHISA-N 1 1 396.535 4.304 20 0 GIADMO Cc1nnc([C@@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC000459748781 823260011 /nfs/dbraw/zinc/26/00/11/823260011.db2.gz IAMMMHTUBIBQLB-GQWLDOHISA-N 1 1 396.535 4.304 20 0 GIADMO CC(C)c1nc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)no1 ZINC000459751643 823260245 /nfs/dbraw/zinc/26/02/45/823260245.db2.gz KLIAZWJNOIGRHY-LEWJYISDSA-N 1 1 394.494 4.090 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409619771 823263515 /nfs/dbraw/zinc/26/35/15/823263515.db2.gz GTAPYJGFJUZBPT-NEWSRXKRSA-N 1 1 379.495 4.022 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc(C)c1O ZINC000571961453 823260937 /nfs/dbraw/zinc/26/09/37/823260937.db2.gz YIEICQZKZLCWSR-LJQANCHMSA-N 1 1 396.535 4.240 20 0 GIADMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000571961354 823261058 /nfs/dbraw/zinc/26/10/58/823261058.db2.gz TWJRZDHSCZZOSO-KSSFIOAISA-N 1 1 396.350 4.053 20 0 GIADMO C[C@H]1CCC[N@@H+](CCNC(=O)c2sc3ccccc3c2Br)C1 ZINC000571964700 823261700 /nfs/dbraw/zinc/26/17/00/823261700.db2.gz ONBAFQLUEJEYJX-LBPRGKRZSA-N 1 1 381.339 4.126 20 0 GIADMO Brc1cccc2c(N3CCC(n4ccnn4)CC3)cc(C3CC3)[nH+]c12 ZINC000571979094 823264554 /nfs/dbraw/zinc/26/45/54/823264554.db2.gz QEXSMQYCUICZNA-UHFFFAOYSA-N 1 1 398.308 4.308 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459787746 823265088 /nfs/dbraw/zinc/26/50/88/823265088.db2.gz CVVDDMOEUPZRHR-CVEARBPZSA-N 1 1 376.541 4.048 20 0 GIADMO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459786881 823265242 /nfs/dbraw/zinc/26/52/42/823265242.db2.gz XZZCNZXFGQXEIL-FUHWJXTLSA-N 1 1 399.560 4.449 20 0 GIADMO C[C@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000571999713 823267829 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GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](c2nccn2C)C2CC2)c1 ZINC000572386684 823331112 /nfs/dbraw/zinc/33/11/12/823331112.db2.gz QXLFABKNHKTJJU-LJQANCHMSA-N 1 1 392.507 4.061 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C1 ZINC000176944799 823331221 /nfs/dbraw/zinc/33/12/21/823331221.db2.gz ZUBUNCSSYZWUOH-LBPRGKRZSA-N 1 1 384.402 4.042 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)N(CC)C(CC)CC)CC2)cs1 ZINC000460274923 823337331 /nfs/dbraw/zinc/33/73/31/823337331.db2.gz DEBGWOIAJLFQJV-UHFFFAOYSA-N 1 1 380.602 4.138 20 0 GIADMO CCCc1occc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409879073 823334164 /nfs/dbraw/zinc/33/41/64/823334164.db2.gz ISEJDKWVSQZLRE-IFXJQAMLSA-N 1 1 378.875 4.447 20 0 GIADMO CCCc1occc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409879073 823334167 /nfs/dbraw/zinc/33/41/67/823334167.db2.gz ISEJDKWVSQZLRE-IFXJQAMLSA-N 1 1 378.875 4.447 20 0 GIADMO COc1ccc(-c2cncc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)c2)cc1 ZINC000122303154 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823337770 /nfs/dbraw/zinc/33/77/70/823337770.db2.gz CKRRLLRENXDWMO-UHFFFAOYSA-N 1 1 381.451 4.099 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460278413 823337867 /nfs/dbraw/zinc/33/78/67/823337867.db2.gz VRSOHKNRZVQNAG-KBRMVUAJSA-N 1 1 379.548 4.156 20 0 GIADMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F ZINC000016591963 818457532 /nfs/dbraw/zinc/45/75/32/818457532.db2.gz PTZACUQGPCGWTM-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F ZINC000016591963 818457539 /nfs/dbraw/zinc/45/75/39/818457539.db2.gz PTZACUQGPCGWTM-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO CC[N@@H+]1CC[C@@H](NC(=O)CCCC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409896760 823338517 /nfs/dbraw/zinc/33/85/17/823338517.db2.gz LLPUYDAZVTWUGG-CTNGQTDRSA-N 1 1 396.934 4.328 20 0 GIADMO CC[N@H+]1CC[C@@H](NC(=O)CCCC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409896760 823338524 /nfs/dbraw/zinc/33/85/24/823338524.db2.gz LLPUYDAZVTWUGG-CTNGQTDRSA-N 1 1 396.934 4.328 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000409915332 823343092 /nfs/dbraw/zinc/34/30/92/823343092.db2.gz JBOZVLZVUOZJML-RBBKRZOGSA-N 1 1 394.506 4.202 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCCC2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000409915332 823343094 /nfs/dbraw/zinc/34/30/94/823343094.db2.gz JBOZVLZVUOZJML-RBBKRZOGSA-N 1 1 394.506 4.202 20 0 GIADMO Cn1c2ccc(C(=O)Nc3cccc(CC[N@@H+](C)C4CC4)c3)cc2nc1C(F)F ZINC000409907068 823341093 /nfs/dbraw/zinc/34/10/93/823341093.db2.gz QAZMRONUOKPMNL-UHFFFAOYSA-N 1 1 398.457 4.400 20 0 GIADMO Cc1csc(Nc2ccc(C(=O)NCC[N@@H+]3CCc4sccc4C3)cc2)n1 ZINC000572447548 823341135 /nfs/dbraw/zinc/34/11/35/823341135.db2.gz PIKPTANWNYAQIM-UHFFFAOYSA-N 1 1 398.557 4.045 20 0 GIADMO Cc1csc(Nc2ccc(C(=O)NCC[N@H+]3CCc4sccc4C3)cc2)n1 ZINC000572447548 823341140 /nfs/dbraw/zinc/34/11/40/823341140.db2.gz PIKPTANWNYAQIM-UHFFFAOYSA-N 1 1 398.557 4.045 20 0 GIADMO COc1ccc(C(NC(=O)C[N@@H+](C)C2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000017283385 818505392 /nfs/dbraw/zinc/50/53/92/818505392.db2.gz ZDMYIIMLUGBSDQ-UHFFFAOYSA-N 1 1 396.531 4.174 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2s1)c1ccccc1Cl ZINC000017909303 818532397 /nfs/dbraw/zinc/53/23/97/818532397.db2.gz JDKCGSWEBOEHPY-QGZVFWFLSA-N 1 1 387.936 4.301 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000189030339 823344802 /nfs/dbraw/zinc/34/48/02/823344802.db2.gz UWHFPPAHIDXFDQ-JKSUJKDBSA-N 1 1 390.478 4.101 20 0 GIADMO Cc1nc2ccc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc2o1 ZINC000176993454 823345144 /nfs/dbraw/zinc/34/51/44/823345144.db2.gz UXMFJRRAKORSKG-DNVCBOLYSA-N 1 1 378.476 4.311 20 0 GIADMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000057894339 823345849 /nfs/dbraw/zinc/34/58/49/823345849.db2.gz KUXOATLALZENHY-HXUWFJFHSA-N 1 1 377.444 4.163 20 0 GIADMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000057894339 823345856 /nfs/dbraw/zinc/34/58/56/823345856.db2.gz KUXOATLALZENHY-HXUWFJFHSA-N 1 1 377.444 4.163 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)COc2ccsc2Cl)CC1)CC(C)C ZINC000572468925 823345924 /nfs/dbraw/zinc/34/59/24/823345924.db2.gz UVHZDSMIGVEQBN-UHFFFAOYSA-N 1 1 386.989 4.387 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC000189039856 823346483 /nfs/dbraw/zinc/34/64/83/823346483.db2.gz XLPAYDHQQZWVFY-SJCJKPOMSA-N 1 1 396.384 4.018 20 0 GIADMO CCN(c1nnc(-c2ccoc2)n1CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460304068 823346698 /nfs/dbraw/zinc/34/66/98/823346698.db2.gz ODTXLXHCGDHPCE-FXAWDEMLSA-N 1 1 379.508 4.220 20 0 GIADMO FC(F)(F)c1csc([C@H]2CCC[N@@H+](CCCO[C@H]3CCCCO3)C2)n1 ZINC000572499782 823349866 /nfs/dbraw/zinc/34/98/66/823349866.db2.gz DFKIFNRXYIWMKK-ZFWWWQNUSA-N 1 1 378.460 4.275 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCCC1=CCCCC1)C1CCCCC1 ZINC000057968982 823351765 /nfs/dbraw/zinc/35/17/65/823351765.db2.gz IYJGIFUBMFUPDP-UHFFFAOYSA-N 1 1 397.563 4.396 20 0 GIADMO COCCCOc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522022 823353328 /nfs/dbraw/zinc/35/33/28/823353328.db2.gz ZMPBNXXQSKTZND-QHCPKHFHSA-N 1 1 394.559 4.389 20 0 GIADMO COCCCOc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522022 823353335 /nfs/dbraw/zinc/35/33/35/823353335.db2.gz ZMPBNXXQSKTZND-QHCPKHFHSA-N 1 1 394.559 4.389 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1Br ZINC000057992224 823353788 /nfs/dbraw/zinc/35/37/88/823353788.db2.gz ZSNXTLHYBWFSOH-MRXNPFEDSA-N 1 1 395.272 4.138 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)C1 ZINC000177034152 823355555 /nfs/dbraw/zinc/35/55/55/823355555.db2.gz CYZDHYSEJXSGIN-SFHVURJKSA-N 1 1 383.540 4.327 20 0 GIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000021057051 818650797 /nfs/dbraw/zinc/65/07/97/818650797.db2.gz RDGIZVRJFDOZPF-PMACEKPBSA-N 1 1 394.559 4.213 20 0 GIADMO CCc1cc2oc(=O)cc(C[NH+]3CCC(OCCCOC)CC3)c2cc1Cl ZINC000122440553 823354643 /nfs/dbraw/zinc/35/46/43/823354643.db2.gz QLOCTLICFTXSPI-UHFFFAOYSA-N 1 1 393.911 4.026 20 0 GIADMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000177036695 823355913 /nfs/dbraw/zinc/35/59/13/823355913.db2.gz DRSUEZWISIRKQQ-LJQANCHMSA-N 1 1 394.544 4.166 20 0 GIADMO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000177036695 823355921 /nfs/dbraw/zinc/35/59/21/823355921.db2.gz DRSUEZWISIRKQQ-LJQANCHMSA-N 1 1 394.544 4.166 20 0 GIADMO COCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)cc1OC ZINC000122455115 823356995 /nfs/dbraw/zinc/35/69/95/823356995.db2.gz RLIOVNGPURSVDA-HUUCEWRRSA-N 1 1 377.456 4.280 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000021671525 818723059 /nfs/dbraw/zinc/72/30/59/818723059.db2.gz HDNHZDJNRYVSRE-CQSZACIVSA-N 1 1 391.309 4.225 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000021671525 818723065 /nfs/dbraw/zinc/72/30/65/818723065.db2.gz HDNHZDJNRYVSRE-CQSZACIVSA-N 1 1 391.309 4.225 20 0 GIADMO Cc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000021672863 818723782 /nfs/dbraw/zinc/72/37/82/818723782.db2.gz KUVDFPNXVBQTRP-OAHLLOKOSA-N 1 1 380.410 4.352 20 0 GIADMO Cc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000021672863 818723789 /nfs/dbraw/zinc/72/37/89/818723789.db2.gz KUVDFPNXVBQTRP-OAHLLOKOSA-N 1 1 380.410 4.352 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)cc1)C1CC1 ZINC000460340548 823358368 /nfs/dbraw/zinc/35/83/68/823358368.db2.gz UIHQTDNIOBDYPQ-GOSISDBHSA-N 1 1 377.532 4.404 20 0 GIADMO COc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC1CCCC1 ZINC000058089885 823361283 /nfs/dbraw/zinc/36/12/83/823361283.db2.gz OYJMWOPTZMWSDZ-IAGOWNOFSA-N 1 1 389.540 4.259 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000189107000 823358795 /nfs/dbraw/zinc/35/87/95/823358795.db2.gz WABCKPUGHCPFRF-AWEZNQCLSA-N 1 1 386.433 4.113 20 0 GIADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021822207 818740544 /nfs/dbraw/zinc/74/05/44/818740544.db2.gz WRUUPQFPNKKSGI-OAHLLOKOSA-N 1 1 392.330 4.138 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)cn1 ZINC000122477318 823360153 /nfs/dbraw/zinc/36/01/53/823360153.db2.gz WSOKDJIMMYRFOG-NRFANRHFSA-N 1 1 389.503 4.239 20 0 GIADMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000189127618 823361568 /nfs/dbraw/zinc/36/15/68/823361568.db2.gz SOFPABBQAJUALF-UHFFFAOYSA-N 1 1 378.850 4.147 20 0 GIADMO Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)cc1 ZINC000189125384 823360905 /nfs/dbraw/zinc/36/09/05/823360905.db2.gz QVBZTRLNTKABTE-SJORKVTESA-N 1 1 377.492 4.307 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000022198899 818782045 /nfs/dbraw/zinc/78/20/45/818782045.db2.gz YOPZETZQCQPNKW-UHFFFAOYSA-N 1 1 378.925 4.401 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1Cn1cccn1 ZINC000122500449 823363636 /nfs/dbraw/zinc/36/36/36/823363636.db2.gz DENCBSKVDQZGKP-CVEARBPZSA-N 1 1 383.467 4.500 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)cc1Cn1cccn1 ZINC000122500671 823363749 /nfs/dbraw/zinc/36/37/49/823363749.db2.gz DENCBSKVDQZGKP-JKSUJKDBSA-N 1 1 383.467 4.500 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccccc2NCc2cccnc2)C1 ZINC000177070128 823364356 /nfs/dbraw/zinc/36/43/56/823364356.db2.gz PGKRTTUGWABRRR-BGYRXZFFSA-N 1 1 394.563 4.182 20 0 GIADMO Cc1cc(CNC(=O)N[C@H](C)C(C)(C)c2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000460363729 823364448 /nfs/dbraw/zinc/36/44/48/823364448.db2.gz PRTPJYMFINFEGL-GOSISDBHSA-N 1 1 380.536 4.156 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2SCC)[C@H](C)C1 ZINC000177073098 823364493 /nfs/dbraw/zinc/36/44/93/823364493.db2.gz YTRXTXDVSOKEOF-CRAIPNDOSA-N 1 1 399.000 4.319 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000177084857 823367295 /nfs/dbraw/zinc/36/72/95/823367295.db2.gz ZDCKTOKVLGNZPN-DZGCQCFKSA-N 1 1 377.410 4.279 20 0 GIADMO COc1ccc(CN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c2ccncc2)cc1 ZINC000460372163 823367320 /nfs/dbraw/zinc/36/73/20/823367320.db2.gz QXLADRABAIJNNR-IBGZPJMESA-N 1 1 389.499 4.144 20 0 GIADMO COc1ccc(CN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c2ccncc2)cc1 ZINC000460372163 823367325 /nfs/dbraw/zinc/36/73/25/823367325.db2.gz QXLADRABAIJNNR-IBGZPJMESA-N 1 1 389.499 4.144 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000409993755 823365436 /nfs/dbraw/zinc/36/54/36/823365436.db2.gz QKPPNYZFRIHUSY-CQSZACIVSA-N 1 1 385.558 4.487 20 0 GIADMO O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CCc2sccc2C1 ZINC000022549885 818824117 /nfs/dbraw/zinc/82/41/17/818824117.db2.gz YONFYPRJDLFKBD-SFHVURJKSA-N 1 1 381.497 4.338 20 0 GIADMO Fc1ccc(Cn2cc(C[NH2+]Cc3sccc3Br)cn2)cc1 ZINC000189152607 823366135 /nfs/dbraw/zinc/36/61/35/823366135.db2.gz ZHAQCTQVTTXXRY-UHFFFAOYSA-N 1 1 380.286 4.184 20 0 GIADMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022611052 818833531 /nfs/dbraw/zinc/83/35/31/818833531.db2.gz WRNVPHDWCJJKCQ-UHFFFAOYSA-N 1 1 391.540 4.467 20 0 GIADMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000022611052 818833534 /nfs/dbraw/zinc/83/35/34/818833534.db2.gz WRNVPHDWCJJKCQ-UHFFFAOYSA-N 1 1 391.540 4.467 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1csc(-c2ccccc2)n1 ZINC000572637708 823373092 /nfs/dbraw/zinc/37/30/92/823373092.db2.gz SVFNDSKVBRETDR-QGZVFWFLSA-N 1 1 394.544 4.130 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21)c1ccc(Br)cc1 ZINC000022761294 818857084 /nfs/dbraw/zinc/85/70/84/818857084.db2.gz DRLMJXJBASUGSQ-AUUYWEPGSA-N 1 1 387.321 4.246 20 0 GIADMO COc1cc(CNC2CC[NH+](C3CC3)CC2)ccc1OCc1ccc(F)cc1 ZINC000022820195 818864163 /nfs/dbraw/zinc/86/41/63/818864163.db2.gz CYWAWDFPYRTZEF-UHFFFAOYSA-N 1 1 384.495 4.130 20 0 GIADMO O=C(CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)Nc1ccccc1Cl ZINC000022833562 818865215 /nfs/dbraw/zinc/86/52/15/818865215.db2.gz CVGZLAFANOXEAJ-UHFFFAOYSA-N 1 1 392.330 4.140 20 0 GIADMO O=C(CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)Nc1ccccc1Cl ZINC000022833562 818865226 /nfs/dbraw/zinc/86/52/26/818865226.db2.gz CVGZLAFANOXEAJ-UHFFFAOYSA-N 1 1 392.330 4.140 20 0 GIADMO COc1ccccc1SCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000122542029 823369565 /nfs/dbraw/zinc/36/95/65/823369565.db2.gz PUYKAJRUEYELLH-ICSRJNTNSA-N 1 1 398.572 4.299 20 0 GIADMO C[NH+]1CCN([C@@H](CNC(=O)Nc2cccc3ccccc32)c2cccs2)CC1 ZINC000022893609 818872898 /nfs/dbraw/zinc/87/28/98/818872898.db2.gz FYRHEQAEMJQAKS-FQEVSTJZSA-N 1 1 394.544 4.012 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000022911446 818875841 /nfs/dbraw/zinc/87/58/41/818875841.db2.gz OEXDAPYLTKFAHM-AWEZNQCLSA-N 1 1 379.489 4.485 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000022911446 818875849 /nfs/dbraw/zinc/87/58/49/818875849.db2.gz OEXDAPYLTKFAHM-AWEZNQCLSA-N 1 1 379.489 4.485 20 0 GIADMO C[N@@H+](Cc1ccccc1N[C@@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000177095288 823370104 /nfs/dbraw/zinc/37/01/04/823370104.db2.gz RLLGMJZNFOKFQB-GOSISDBHSA-N 1 1 383.458 4.026 20 0 GIADMO CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1ccc(OC)c(OC)c1 ZINC000022971566 818881823 /nfs/dbraw/zinc/88/18/23/818881823.db2.gz KCSYMJOYCIYDHR-UHFFFAOYSA-N 1 1 376.884 4.126 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)Cc1ccc(OC)c(OC)c1 ZINC000022971566 818881827 /nfs/dbraw/zinc/88/18/27/818881827.db2.gz KCSYMJOYCIYDHR-UHFFFAOYSA-N 1 1 376.884 4.126 20 0 GIADMO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1ccc(OC)c(OC)c1 ZINC000022971691 818881840 /nfs/dbraw/zinc/88/18/40/818881840.db2.gz VWOXHDCYRYNBOC-SFHVURJKSA-N 1 1 384.520 4.020 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1ccc(OC)c(OC)c1 ZINC000022971691 818881846 /nfs/dbraw/zinc/88/18/46/818881846.db2.gz VWOXHDCYRYNBOC-SFHVURJKSA-N 1 1 384.520 4.020 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000122549047 823370687 /nfs/dbraw/zinc/37/06/87/823370687.db2.gz HUDFQNRLTWDYCO-QFIPXVFZSA-N 1 1 394.494 4.346 20 0 GIADMO CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000122554692 823371682 /nfs/dbraw/zinc/37/16/82/823371682.db2.gz LMZVUUNNKKXFCB-PMACEKPBSA-N 1 1 377.598 4.342 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1csc(-c2ccc(C)cc2)n1)[NH+](C)C ZINC000023178338 818905789 /nfs/dbraw/zinc/90/57/89/818905789.db2.gz NPKODANDKQBNPU-IBGZPJMESA-N 1 1 395.528 4.160 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OCC ZINC000122558206 823372437 /nfs/dbraw/zinc/37/24/37/823372437.db2.gz IXWBRLSAEFIXTK-YJBOKZPZSA-N 1 1 396.959 4.330 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc4c(cc(C)cc4C)[nH]3)CC2)cc1 ZINC000023245773 818916726 /nfs/dbraw/zinc/91/67/26/818916726.db2.gz NSFBZTFCSJPMQU-UHFFFAOYSA-N 1 1 391.515 4.141 20 0 GIADMO COc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)n2)cc1F ZINC000572642416 823373841 /nfs/dbraw/zinc/37/38/41/823373841.db2.gz DMBHYFDBPHVFNJ-MRXNPFEDSA-N 1 1 377.485 4.159 20 0 GIADMO COc1ccc(-c2csc(NC(=O)[C@H]3CCCC[N@H+]3C(C)C)n2)cc1F ZINC000572642416 823373847 /nfs/dbraw/zinc/37/38/47/823373847.db2.gz DMBHYFDBPHVFNJ-MRXNPFEDSA-N 1 1 377.485 4.159 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000058276071 823374001 /nfs/dbraw/zinc/37/40/01/823374001.db2.gz WPYXXZSLZGWTPX-LJQANCHMSA-N 1 1 378.516 4.165 20 0 GIADMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(Cl)c1OC ZINC000572647098 823374853 /nfs/dbraw/zinc/37/48/53/823374853.db2.gz ZWLKIQXHACNAHR-QRVBRYPASA-N 1 1 387.907 4.362 20 0 GIADMO Cc1cc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c(Cl)cc1F ZINC000177120417 823376103 /nfs/dbraw/zinc/37/61/03/823376103.db2.gz MZRQDNLOJLLSJW-UHFFFAOYSA-N 1 1 375.875 4.182 20 0 GIADMO C[N@@H+]1CCc2[nH]c(=NC(=O)c3ccc(CSc4ccccc4)cc3)sc2C1 ZINC000023607695 818964561 /nfs/dbraw/zinc/96/45/61/818964561.db2.gz WTTFOBBTBWTWEN-UHFFFAOYSA-N 1 1 395.553 4.098 20 0 GIADMO C[N@H+]1CCc2[nH]c(=NC(=O)c3ccc(CSc4ccccc4)cc3)sc2C1 ZINC000023607695 818964565 /nfs/dbraw/zinc/96/45/65/818964565.db2.gz WTTFOBBTBWTWEN-UHFFFAOYSA-N 1 1 395.553 4.098 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000023638960 818969120 /nfs/dbraw/zinc/96/91/20/818969120.db2.gz RUQBIUDPQYEEMX-UHFFFAOYSA-N 1 1 383.542 4.138 20 0 GIADMO COc1cccc(C[N@H+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000023707390 818976028 /nfs/dbraw/zinc/97/60/28/818976028.db2.gz RQFMALQPQKSHRO-XMMPIXPASA-N 1 1 388.511 4.227 20 0 GIADMO COc1cccc(C[N@@H+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000023707390 818976034 /nfs/dbraw/zinc/97/60/34/818976034.db2.gz RQFMALQPQKSHRO-XMMPIXPASA-N 1 1 388.511 4.227 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)CCCc1nc2ccccc2s1)[NH+](C)C ZINC000023979233 819001738 /nfs/dbraw/zinc/00/17/38/819001738.db2.gz VHLVTISRLKOYIY-GOSISDBHSA-N 1 1 397.544 4.047 20 0 GIADMO COCCCOC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000122604037 823379990 /nfs/dbraw/zinc/37/99/90/823379990.db2.gz WJQHCWUHGWJKNA-UHFFFAOYSA-N 1 1 376.722 4.120 20 0 GIADMO Cc1sc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+]2C)nc1-c1ccc(Cl)cc1 ZINC000122611409 823381161 /nfs/dbraw/zinc/38/11/61/823381161.db2.gz LFUMUIBLEDIRPL-LRDDRELGSA-N 1 1 392.956 4.226 20 0 GIADMO Cc1cc(C)c(CNc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)c(C)c1 ZINC000122615154 823381889 /nfs/dbraw/zinc/38/18/89/823381889.db2.gz FVYJEWGLIFRPOJ-UHFFFAOYSA-N 1 1 399.510 4.024 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000177146573 823382555 /nfs/dbraw/zinc/38/25/55/823382555.db2.gz LRNYAUWNDYUDHK-RCCFBDPRSA-N 1 1 377.410 4.005 20 0 GIADMO COc1cccc([C@H](C)CC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000177148198 823382936 /nfs/dbraw/zinc/38/29/36/823382936.db2.gz HDNREQVJMDNFQD-QRVBRYPASA-N 1 1 396.531 4.437 20 0 GIADMO COc1cccc([C@H](C)CC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000177148198 823382942 /nfs/dbraw/zinc/38/29/42/823382942.db2.gz HDNREQVJMDNFQD-QRVBRYPASA-N 1 1 396.531 4.437 20 0 GIADMO Cc1cccc(NC(=O)NCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000058366541 823383520 /nfs/dbraw/zinc/38/35/20/823383520.db2.gz LMPJWVVEZLNFDT-GOSISDBHSA-N 1 1 394.519 4.130 20 0 GIADMO CN(C)C(=O)Sc1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000177150559 823383735 /nfs/dbraw/zinc/38/37/35/823383735.db2.gz PZDNOFYDLPKQQN-FQEVSTJZSA-N 1 1 384.545 4.294 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnc4ccccc4c3O)cc2)C1 ZINC000058395442 823385414 /nfs/dbraw/zinc/38/54/14/823385414.db2.gz IUKSWGJAGFSZSV-MRXNPFEDSA-N 1 1 375.472 4.012 20 0 GIADMO CC[C@@H](C)[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1 ZINC000058395969 823385457 /nfs/dbraw/zinc/38/54/57/823385457.db2.gz RAKYIXOZBQOFLF-OAQYLSRUSA-N 1 1 394.559 4.152 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000572706939 823386315 /nfs/dbraw/zinc/38/63/15/823386315.db2.gz HBPCOXHIRLJRQU-UHFFFAOYSA-N 1 1 394.302 4.450 20 0 GIADMO C[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)CC1(c2ccccc2)CC1 ZINC000189287867 823387355 /nfs/dbraw/zinc/38/73/55/823387355.db2.gz QPSHPZPCYKJANY-UHFFFAOYSA-N 1 1 391.540 4.237 20 0 GIADMO C[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)CC1(c2ccccc2)CC1 ZINC000189287867 823387361 /nfs/dbraw/zinc/38/73/61/823387361.db2.gz QPSHPZPCYKJANY-UHFFFAOYSA-N 1 1 391.540 4.237 20 0 GIADMO CSc1ccccc1[C@@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000410102634 823392571 /nfs/dbraw/zinc/39/25/71/823392571.db2.gz DAQBUKZDLGXPHX-MRXNPFEDSA-N 1 1 385.533 4.426 20 0 GIADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)cc1 ZINC000122677148 823392623 /nfs/dbraw/zinc/39/26/23/823392623.db2.gz OJCZVBPVCNPZSB-UHFFFAOYSA-N 1 1 385.577 4.277 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000058428716 823390241 /nfs/dbraw/zinc/39/02/41/823390241.db2.gz YKCCPXFBNGWXFB-OAQYLSRUSA-N 1 1 388.471 4.187 20 0 GIADMO O=C(NCc1cccc2ccccc21)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000058430187 823390514 /nfs/dbraw/zinc/39/05/14/823390514.db2.gz IPQJCSKZJPYPLU-UHFFFAOYSA-N 1 1 389.499 4.036 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccoc3)n2CCc2ccccc2)C[C@H]1C ZINC000460453314 823394289 /nfs/dbraw/zinc/39/42/89/823394289.db2.gz ILZWTCLJEXDPHK-WIYYLYMNSA-N 1 1 393.535 4.090 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177187364 823394758 /nfs/dbraw/zinc/39/47/58/823394758.db2.gz LSPZFJJPJYFPCD-VQTJNVASSA-N 1 1 398.576 4.178 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000410116755 823395807 /nfs/dbraw/zinc/39/58/07/823395807.db2.gz COTRSRFHBFQVKZ-JZXOWHBKSA-N 1 1 398.469 4.382 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000177195738 823396243 /nfs/dbraw/zinc/39/62/43/823396243.db2.gz VMEBVXSFFARZDF-CYBMUJFWSA-N 1 1 377.275 4.284 20 0 GIADMO Cc1cccn2c(=O)cc(C[NH2+][C@H](COCc3ccccc3)c3ccccc3)nc12 ZINC000122710789 823398709 /nfs/dbraw/zinc/39/87/09/823398709.db2.gz BNILHJCDLKZBNY-HSZRJFAPSA-N 1 1 399.494 4.051 20 0 GIADMO CNC(=O)c1ccc(C[NH2+][C@H](c2cccnc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000122701436 823397326 /nfs/dbraw/zinc/39/73/26/823397326.db2.gz XIVMLAYLUMBVJU-FQEVSTJZSA-N 1 1 399.416 4.339 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2)cs1 ZINC000177199616 823397453 /nfs/dbraw/zinc/39/74/53/823397453.db2.gz ZCSCUZKQGWTKNX-CJNGLKHVSA-N 1 1 387.574 4.099 20 0 GIADMO CCC[C@@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000572797828 823400596 /nfs/dbraw/zinc/40/05/96/823400596.db2.gz IELIYOWXVWZXQF-WZONZLPQSA-N 1 1 382.504 4.290 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000410143785 823400911 /nfs/dbraw/zinc/40/09/11/823400911.db2.gz DXUNKQWTJPEWQQ-CQSZACIVSA-N 1 1 389.437 4.156 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000177213662 823401247 /nfs/dbraw/zinc/40/12/47/823401247.db2.gz NERZFEQBHVKWAY-QAPCUYQASA-N 1 1 376.504 4.102 20 0 GIADMO Cc1cc([C@H](C)NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000460481677 823403781 /nfs/dbraw/zinc/40/37/81/823403781.db2.gz ZAVPXIIUBRJZFW-VLCRHTCISA-N 1 1 395.522 4.359 20 0 GIADMO Brc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000058505815 823401715 /nfs/dbraw/zinc/40/17/15/823401715.db2.gz YCIFESAEKKPFHX-MRXNPFEDSA-N 1 1 389.341 4.147 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000177216027 823401812 /nfs/dbraw/zinc/40/18/12/823401812.db2.gz DMMOOZDVALEWOK-RCCFBDPRSA-N 1 1 377.410 4.005 20 0 GIADMO Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)nc2ccccc12 ZINC000572806003 823402597 /nfs/dbraw/zinc/40/25/97/823402597.db2.gz WJDNMAFVDHLTRU-OAQYLSRUSA-N 1 1 386.455 4.167 20 0 GIADMO Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)nc2ccccc12 ZINC000572806003 823402600 /nfs/dbraw/zinc/40/26/00/823402600.db2.gz WJDNMAFVDHLTRU-OAQYLSRUSA-N 1 1 386.455 4.167 20 0 GIADMO Cc1nc(CN2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)no1 ZINC000058517774 823402905 /nfs/dbraw/zinc/40/29/05/823402905.db2.gz SJKFDIHQXWOMAI-UHFFFAOYSA-N 1 1 388.924 4.078 20 0 GIADMO COc1cc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)ccc1SC ZINC000058527978 823404273 /nfs/dbraw/zinc/40/42/73/823404273.db2.gz OCDXLKFMSFANGS-INIZCTEOSA-N 1 1 396.350 4.345 20 0 GIADMO COc1cc(C[N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)ccc1SC ZINC000058528317 823404369 /nfs/dbraw/zinc/40/43/69/823404369.db2.gz ZMVCMABZMORAMR-FQEVSTJZSA-N 1 1 397.540 4.442 20 0 GIADMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058539295 823406079 /nfs/dbraw/zinc/40/60/79/823406079.db2.gz ANOSBAUPAIRBTH-LEWJYISDSA-N 1 1 391.475 4.469 20 0 GIADMO CC[C@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000058538454 823406198 /nfs/dbraw/zinc/40/61/98/823406198.db2.gz NHXKJUXWXMFIRN-RBUKOAKNSA-N 1 1 389.927 4.402 20 0 GIADMO FC(F)Oc1cc(-c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)ccn1 ZINC000410168279 823408741 /nfs/dbraw/zinc/40/87/41/823408741.db2.gz ZGZHVGVBXOBYIE-INIZCTEOSA-N 1 1 386.402 4.113 20 0 GIADMO COCC(C)(C)CCCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000572866789 823411594 /nfs/dbraw/zinc/41/15/94/823411594.db2.gz REPYDKFWYDSZFN-LJQANCHMSA-N 1 1 389.584 4.171 20 0 GIADMO O=C(CC1CCCC1)N1CCC[N@@H+](CCOc2ccc3ccccc3c2)CC1 ZINC000058578950 823412099 /nfs/dbraw/zinc/41/20/99/823412099.db2.gz PAIOGZNDEWCJPQ-UHFFFAOYSA-N 1 1 380.532 4.333 20 0 GIADMO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000058580678 823412260 /nfs/dbraw/zinc/41/22/60/823412260.db2.gz JFSCPGOVNSIMQK-IBGZPJMESA-N 1 1 384.564 4.181 20 0 GIADMO CC(C)Oc1cccc(CN(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000122795867 823413352 /nfs/dbraw/zinc/41/33/52/823413352.db2.gz PDCFDTBBBJPELS-IBGZPJMESA-N 1 1 375.557 4.270 20 0 GIADMO COCCc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000189405474 823409653 /nfs/dbraw/zinc/40/96/53/823409653.db2.gz TXANYZJNGYFGFM-IBGZPJMESA-N 1 1 395.547 4.429 20 0 GIADMO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000058593750 823414397 /nfs/dbraw/zinc/41/43/97/823414397.db2.gz HSJWWHKVMNZHOS-WBVHZDCISA-N 1 1 397.569 4.168 20 0 GIADMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(C)cc1OCc1ccccc1)CC2 ZINC000572887741 823414477 /nfs/dbraw/zinc/41/44/77/823414477.db2.gz UCHPXNOSCRLAHD-IBGZPJMESA-N 1 1 375.472 4.280 20 0 GIADMO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000572889282 823414896 /nfs/dbraw/zinc/41/48/96/823414896.db2.gz HNYOFQOUOCVNMS-WMLDXEAASA-N 1 1 381.442 4.232 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000410197098 823416863 /nfs/dbraw/zinc/41/68/63/823416863.db2.gz WNHVWOJRFYOYPQ-SFHVURJKSA-N 1 1 383.536 4.302 20 0 GIADMO COc1ccc(F)c(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000572903115 823417181 /nfs/dbraw/zinc/41/71/81/823417181.db2.gz AAWCABWXWIEFEV-MRXNPFEDSA-N 1 1 377.765 4.330 20 0 GIADMO C[C@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000410200251 823417840 /nfs/dbraw/zinc/41/78/40/823417840.db2.gz SHSKIPJIYIFOLY-HNNXBMFYSA-N 1 1 391.437 4.124 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N2CC(C)(C)[C@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460549031 823427861 /nfs/dbraw/zinc/42/78/61/823427861.db2.gz DTBMKFTVOCLGLH-AYOQOUSVSA-N 1 1 393.934 4.302 20 0 GIADMO COc1cccc(C2(F)CCN(C(=O)[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000410233019 823428531 /nfs/dbraw/zinc/42/85/31/823428531.db2.gz YWQFQBSFGLYVKQ-GOSISDBHSA-N 1 1 384.495 4.003 20 0 GIADMO CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)nn(C)c1C ZINC000122884804 823428693 /nfs/dbraw/zinc/42/86/93/823428693.db2.gz YGEHEUXDIHAZIS-VBKZILBWSA-N 1 1 394.523 4.043 20 0 GIADMO COc1cccc(C2(F)CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)c1 ZINC000410240196 823430854 /nfs/dbraw/zinc/43/08/54/823430854.db2.gz JFLNCRGBKXHSSC-JOCHJYFZSA-N 1 1 396.506 4.147 20 0 GIADMO C[N@@H+](CCCNC(=O)NCc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000058686937 823430899 /nfs/dbraw/zinc/43/08/99/823430899.db2.gz BFAGXJUWJPOVQX-UHFFFAOYSA-N 1 1 379.426 4.027 20 0 GIADMO CSc1ccc([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000410242922 823431725 /nfs/dbraw/zinc/43/17/25/823431725.db2.gz VVXLKIKLIINMFR-LBPRGKRZSA-N 1 1 388.443 4.418 20 0 GIADMO O=C(c1sccc1-c1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024620740 819856122 /nfs/dbraw/zinc/85/61/22/819856122.db2.gz SRTBSZAKNUPPOY-UHFFFAOYSA-N 1 1 376.525 4.416 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1ccc2ccccc2c1 ZINC000177327480 823434763 /nfs/dbraw/zinc/43/47/63/823434763.db2.gz HARXRINPRRDVDH-MRXNPFEDSA-N 1 1 375.472 4.082 20 0 GIADMO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024667662 819862988 /nfs/dbraw/zinc/86/29/88/819862988.db2.gz SDPYIEMPAHWUFO-PKOBYXMFSA-N 1 1 377.488 4.021 20 0 GIADMO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)cc1OC ZINC000024802262 819878474 /nfs/dbraw/zinc/87/84/74/819878474.db2.gz SUPRINRKNUOMIT-UHFFFAOYSA-N 1 1 384.520 4.380 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccccc2C(C)(C)C)cc1OC ZINC000024802262 819878485 /nfs/dbraw/zinc/87/84/85/819878485.db2.gz SUPRINRKNUOMIT-UHFFFAOYSA-N 1 1 384.520 4.380 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CCC(c2ccccc2)=N1)c1ccc(Cl)cc1Cl ZINC000024808037 819879638 /nfs/dbraw/zinc/87/96/38/819879638.db2.gz HGBZKXIPZDQPOQ-ZDUSSCGKSA-N 1 1 376.287 4.281 20 0 GIADMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000024806020 819880011 /nfs/dbraw/zinc/88/00/11/819880011.db2.gz 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COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1 ZINC000025081551 819922115 /nfs/dbraw/zinc/92/21/15/819922115.db2.gz BFFDHSOBNPSCDE-UHFFFAOYSA-N 1 1 399.343 4.412 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(Cl)sc3Cl)CC2)cc1 ZINC000025081551 819922117 /nfs/dbraw/zinc/92/21/17/819922117.db2.gz BFFDHSOBNPSCDE-UHFFFAOYSA-N 1 1 399.343 4.412 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCCCCc3ccccc3)cc2)C[C@H](C)O1 ZINC000025082172 819922786 /nfs/dbraw/zinc/92/27/86/819922786.db2.gz VESNJBYFLDJIIK-PMACEKPBSA-N 1 1 380.532 4.049 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H](c3ccccc3)C3CC3)cc2)C[C@H](C)O1 ZINC000025087406 819924499 /nfs/dbraw/zinc/92/44/99/819924499.db2.gz OQWHGRXGTWVNNP-IEGUWTFLSA-N 1 1 378.516 4.177 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H](c3ccccc3)C3CC3)cc2)C[C@H](C)O1 ZINC000025087406 819924508 /nfs/dbraw/zinc/92/45/08/819924508.db2.gz OQWHGRXGTWVNNP-IEGUWTFLSA-N 1 1 378.516 4.177 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3OC(F)F)cc2)C[C@H](C)O1 ZINC000025091152 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BTFKSOQFHPKLNK-UHFFFAOYSA-N 1 1 380.460 4.130 20 0 GIADMO O=C(NC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1)c1ccccc1 ZINC000123074991 823457531 /nfs/dbraw/zinc/45/75/31/823457531.db2.gz MPEXJHBZHQQQKB-UHFFFAOYSA-N 1 1 383.542 4.266 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](CCOc2ccccc2)Cc2ccco2)cc1 ZINC000026926625 820165062 /nfs/dbraw/zinc/16/50/62/820165062.db2.gz RBRRMLGTOPRCSW-UHFFFAOYSA-N 1 1 390.483 4.253 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@@H+](CCOc2ccccc2)Cc2ccco2)cc1 ZINC000026926625 820165067 /nfs/dbraw/zinc/16/50/67/820165067.db2.gz RBRRMLGTOPRCSW-UHFFFAOYSA-N 1 1 390.483 4.253 20 0 GIADMO c1ccc(OCCCCC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000189611956 823457884 /nfs/dbraw/zinc/45/78/84/823457884.db2.gz SJCMDXWJNYWSAJ-HXUWFJFHSA-N 1 1 382.552 4.433 20 0 GIADMO O=C(c1ccccc1)C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189610781 823457968 /nfs/dbraw/zinc/45/79/68/823457968.db2.gz GDQLYINXBCSYDO-UHFFFAOYSA-N 1 1 377.463 4.165 20 0 GIADMO CC[NH+](CC)[C@H](c1nc(Cc2cn3cccc(C)c3n2)no1)c1ccccc1 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1 1 384.829 4.496 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000027572800 820261092 /nfs/dbraw/zinc/26/10/92/820261092.db2.gz PTXOEBVKDFRSRI-MRXNPFEDSA-N 1 1 396.516 4.081 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027572860 820261162 /nfs/dbraw/zinc/26/11/62/820261162.db2.gz GWYXHDMXHUNTTF-GOSISDBHSA-N 1 1 393.531 4.273 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027572860 820261166 /nfs/dbraw/zinc/26/11/66/820261166.db2.gz GWYXHDMXHUNTTF-GOSISDBHSA-N 1 1 393.531 4.273 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460646430 823465557 /nfs/dbraw/zinc/46/55/57/823465557.db2.gz CXMKHIBSCYVOAC-NXHRZFHOSA-N 1 1 385.474 4.269 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2cnc3ccccc3c2)CC1 ZINC000410330698 823465543 /nfs/dbraw/zinc/46/55/43/823465543.db2.gz PRXWEGZZHBTZFL-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2cnc3ccccc3c2)CC1 ZINC000410330698 823465544 /nfs/dbraw/zinc/46/55/44/823465544.db2.gz PRXWEGZZHBTZFL-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+](C)CCOc2ccc(F)cc2)c(Cl)c1 ZINC000027682431 820274819 /nfs/dbraw/zinc/27/48/19/820274819.db2.gz NDBAGEKYLOLISH-HNNXBMFYSA-N 1 1 378.875 4.434 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccc(F)cc2)c(Cl)c1 ZINC000027682431 820274825 /nfs/dbraw/zinc/27/48/25/820274825.db2.gz NDBAGEKYLOLISH-HNNXBMFYSA-N 1 1 378.875 4.434 20 0 GIADMO COCc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000410339223 823467440 /nfs/dbraw/zinc/46/74/40/823467440.db2.gz XNCXXCIKKRPRFA-LJQANCHMSA-N 1 1 395.547 4.207 20 0 GIADMO COc1ccccc1CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410343403 823468149 /nfs/dbraw/zinc/46/81/49/823468149.db2.gz FXHVVYRCXUKANN-IBGZPJMESA-N 1 1 395.547 4.112 20 0 GIADMO C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000410345254 823468719 /nfs/dbraw/zinc/46/87/19/823468719.db2.gz OYAIOZXAHUXCCC-RBUKOAKNSA-N 1 1 383.536 4.475 20 0 GIADMO CC(C)c1ccc(-c2noc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)n2)cc1 ZINC000177467281 823469078 /nfs/dbraw/zinc/46/90/78/823469078.db2.gz JYZVOEHHLQOWFQ-HXUWFJFHSA-N 1 1 385.508 4.020 20 0 GIADMO C[C@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460658957 823469122 /nfs/dbraw/zinc/46/91/22/823469122.db2.gz UFZAMSUWXOCWEG-ZWKOTPCHSA-N 1 1 385.552 4.022 20 0 GIADMO COc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(OC)c1 ZINC000410346920 823469344 /nfs/dbraw/zinc/46/93/44/823469344.db2.gz XQLDIBBQRLOHTC-KRWDZBQOSA-N 1 1 397.519 4.400 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2sccc2C1 ZINC000410348014 823469619 /nfs/dbraw/zinc/46/96/19/823469619.db2.gz GHCDISQSSDSIMN-QGZVFWFLSA-N 1 1 383.561 4.390 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCc3ccccc3)cc2)C1 ZINC000410349723 823470174 /nfs/dbraw/zinc/47/01/74/823470174.db2.gz GNKRRWYBJZTSDL-HXUWFJFHSA-N 1 1 379.548 4.303 20 0 GIADMO COc1ccc(OC)c(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000410348816 823470180 /nfs/dbraw/zinc/47/01/80/823470180.db2.gz BFOZUQHBEMFYNN-QGZVFWFLSA-N 1 1 397.519 4.257 20 0 GIADMO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177479170 823472033 /nfs/dbraw/zinc/47/20/33/823472033.db2.gz GXQPAYZSAZNARK-UHFFFAOYSA-N 1 1 384.973 4.031 20 0 GIADMO COc1ccc(NC(=O)[C@H]([NH2+]Cc2cccc(OC)c2)c2ccccc2)cc1 ZINC000028622043 820345889 /nfs/dbraw/zinc/34/58/89/820345889.db2.gz PNZJQADSUFALMB-JOCHJYFZSA-N 1 1 376.456 4.173 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CCCC[C@@H]3C)cc2)C[C@H](C)O1 ZINC000410356961 823472819 /nfs/dbraw/zinc/47/28/19/823472819.db2.gz YAEXZMUHTOHTKM-PSHVLCQKSA-N 1 1 387.568 4.016 20 0 GIADMO O=C(CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000028736526 820354502 /nfs/dbraw/zinc/35/45/02/820354502.db2.gz OMFDDBYFFFGEOX-HNNXBMFYSA-N 1 1 378.925 4.411 20 0 GIADMO COc1cc(F)ccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000410357701 823473035 /nfs/dbraw/zinc/47/30/35/823473035.db2.gz FNQPRLHJCQHBLP-MRXNPFEDSA-N 1 1 385.483 4.388 20 0 GIADMO CC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410359570 823473673 /nfs/dbraw/zinc/47/36/73/823473673.db2.gz NVJJDOYRUGUNBQ-KRWDZBQOSA-N 1 1 379.504 4.443 20 0 GIADMO CCOc1ccc(NC(=O)[C@H](C)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000028899303 820369143 /nfs/dbraw/zinc/36/91/43/820369143.db2.gz MNPUDAXOQOACNX-IBGZPJMESA-N 1 1 395.547 4.188 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000028899487 820370145 /nfs/dbraw/zinc/37/01/45/820370145.db2.gz ISCLXUHMAUPZQV-FQEVSTJZSA-N 1 1 379.548 4.406 20 0 GIADMO CC[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000410360937 823474091 /nfs/dbraw/zinc/47/40/91/823474091.db2.gz SXQXNZMWZFDFGQ-QFIPXVFZSA-N 1 1 383.536 4.486 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccccc1 ZINC000028932614 820375507 /nfs/dbraw/zinc/37/55/07/820375507.db2.gz IQXGHZDYZPHGQV-UHFFFAOYSA-N 1 1 376.884 4.208 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc4cnccc43)cc2)C[C@@H](C)O1 ZINC000028941353 820376275 /nfs/dbraw/zinc/37/62/75/820376275.db2.gz DRDKASAHALYIMO-IAGOWNOFSA-N 1 1 375.472 4.096 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCOc2ccccc2F)cc1 ZINC000123195583 823477409 /nfs/dbraw/zinc/47/74/09/823477409.db2.gz ZRCXYVRQJUIJCX-INIZCTEOSA-N 1 1 396.466 4.101 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123176890 823474587 /nfs/dbraw/zinc/47/45/87/823474587.db2.gz ZBNWZFTZDXFLCI-YGRLFVJLSA-N 1 1 382.348 4.279 20 0 GIADMO COc1ccc(CCC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1F ZINC000058950442 823474637 /nfs/dbraw/zinc/47/46/37/823474637.db2.gz RFQVSPHBMRTIKU-SFHVURJKSA-N 1 1 398.522 4.458 20 0 GIADMO COc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(OC)c1 ZINC000410363233 823474710 /nfs/dbraw/zinc/47/47/10/823474710.db2.gz ZYTWUHYGQGISIC-KRWDZBQOSA-N 1 1 397.519 4.257 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2cccnc2)C1 ZINC000410362606 823474740 /nfs/dbraw/zinc/47/47/40/823474740.db2.gz HHIAVZYXHLHWLA-CVDCTZTESA-N 1 1 392.547 4.360 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000058952640 823474975 /nfs/dbraw/zinc/47/49/75/823474975.db2.gz RUNIMECWFHWKIG-ZHRRBRCNSA-N 1 1 398.934 4.334 20 0 GIADMO Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cnn1-c1ccc(C)cc1 ZINC000029051552 820387874 /nfs/dbraw/zinc/38/78/74/820387874.db2.gz VIQXOZGTUCEYEW-NRFANRHFSA-N 1 1 396.922 4.175 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000573283830 823475412 /nfs/dbraw/zinc/47/54/12/823475412.db2.gz BTRCAKPUSMXRGV-INIZCTEOSA-N 1 1 386.801 4.275 20 0 GIADMO COc1ccc(-c2cc(C(=O)NC[C@@H](C)Cn3cc[nH+]c3C)sc2C)cc1 ZINC000058957471 823476027 /nfs/dbraw/zinc/47/60/27/823476027.db2.gz GZXYFALKVBODMA-CQSZACIVSA-N 1 1 383.517 4.303 20 0 GIADMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000029155598 820401467 /nfs/dbraw/zinc/40/14/67/820401467.db2.gz HVGMSDFPMRBXDS-QHCPKHFHSA-N 1 1 378.516 4.197 20 0 GIADMO Cc1ccc(C)c(C(=O)CCC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000029161069 820402961 /nfs/dbraw/zinc/40/29/61/820402961.db2.gz WWUATSLQOVULSJ-UHFFFAOYSA-N 1 1 392.543 4.219 20 0 GIADMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000029189218 820409110 /nfs/dbraw/zinc/40/91/10/820409110.db2.gz GDZUVHOCEQSYJI-LJQANCHMSA-N 1 1 394.521 4.053 20 0 GIADMO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000029189218 820409114 /nfs/dbraw/zinc/40/91/14/820409114.db2.gz GDZUVHOCEQSYJI-LJQANCHMSA-N 1 1 394.521 4.053 20 0 GIADMO COC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410368083 823477031 /nfs/dbraw/zinc/47/70/31/823477031.db2.gz VLZRSAWSEPLENJ-KRWDZBQOSA-N 1 1 395.503 4.027 20 0 GIADMO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)on1 ZINC000410371375 823478700 /nfs/dbraw/zinc/47/87/00/823478700.db2.gz DJKAHTNNZNBPDW-WIYYLYMNSA-N 1 1 396.535 4.404 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(Cc3coc(-c4cccs4)n3)CC2)C[C@H](C)O1 ZINC000177506108 823478891 /nfs/dbraw/zinc/47/88/91/823478891.db2.gz VBMJQTQVYUEOGE-CALCHBBNSA-N 1 1 389.565 4.114 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccccc3N(C)C)cc2)C1 ZINC000410374493 823479603 /nfs/dbraw/zinc/47/96/03/823479603.db2.gz ZLSKRPGKFZDWSQ-GOSISDBHSA-N 1 1 380.536 4.306 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)C1 ZINC000177512298 823480003 /nfs/dbraw/zinc/48/00/03/823480003.db2.gz MNHIAPMNAVHTJL-HNNXBMFYSA-N 1 1 398.473 4.111 20 0 GIADMO C[C@@H]1CCSCCN1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189711924 823480471 /nfs/dbraw/zinc/48/04/71/823480471.db2.gz GVXIREGQQYAAHO-QIIPPGSGSA-N 1 1 399.963 4.009 20 0 GIADMO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000573328979 823480467 /nfs/dbraw/zinc/48/04/67/823480467.db2.gz ARZNBBBJHRHHGV-UHFFFAOYSA-N 1 1 389.540 4.450 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccccc1 ZINC000029597170 820481788 /nfs/dbraw/zinc/48/17/88/820481788.db2.gz IJODRPNRISESES-UHFFFAOYSA-N 1 1 382.895 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ZINC000189911438 823512870 /nfs/dbraw/zinc/51/28/70/823512870.db2.gz XJRMFTYVBJDMJV-HNNXBMFYSA-N 1 1 379.414 4.187 20 0 GIADMO C[C@H](CNC(=O)c1csc(-c2cccs2)n1)[N@@H+]1CCc2sccc2C1 ZINC000032428966 820942044 /nfs/dbraw/zinc/94/20/44/820942044.db2.gz SXRBUDLXSJOTCG-GFCCVEGCSA-N 1 1 389.571 4.110 20 0 GIADMO C[C@H](CNC(=O)c1csc(-c2cccs2)n1)[N@H+]1CCc2sccc2C1 ZINC000032428966 820942050 /nfs/dbraw/zinc/94/20/50/820942050.db2.gz SXRBUDLXSJOTCG-GFCCVEGCSA-N 1 1 389.571 4.110 20 0 GIADMO CCOc1ccc(C(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)cc1OCC ZINC000032445943 820946051 /nfs/dbraw/zinc/94/60/51/820946051.db2.gz GMTPBLITSMYZIQ-OAQYLSRUSA-N 1 1 396.531 4.051 20 0 GIADMO Cc1ccc([C@@H](CNC(=O)c2csc(-c3ccccc3F)n2)[NH+]2CCCC2)o1 ZINC000060354863 823518854 /nfs/dbraw/zinc/51/88/54/823518854.db2.gz LXOFUSMYZHSYKL-GOSISDBHSA-N 1 1 399.491 4.418 20 0 GIADMO Cc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1NC(=O)c1ccco1 ZINC000060395468 823523644 /nfs/dbraw/zinc/52/36/44/823523644.db2.gz CYNIAEFRGMIGNB-UHFFFAOYSA-N 1 1 397.519 4.033 20 0 GIADMO Cc1cc(NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c(C)c(C)c1O ZINC000189968850 823519282 /nfs/dbraw/zinc/51/92/82/823519282.db2.gz ZEJXCUUANJYZTO-QGZVFWFLSA-N 1 1 383.492 4.355 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)Cc1ccccc1-2)[NH+](C)C ZINC000032695758 820993336 /nfs/dbraw/zinc/99/33/36/820993336.db2.gz GVOJVRGBPARKJS-HSZRJFAPSA-N 1 1 386.495 4.299 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)c3ncoc3-c3ccccc3Cl)CC2)c1 ZINC000460817173 823520704 /nfs/dbraw/zinc/52/07/04/823520704.db2.gz TUEDRFVDLSLTFV-UHFFFAOYSA-N 1 1 395.890 4.261 20 0 GIADMO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000032757301 821004000 /nfs/dbraw/zinc/00/40/00/821004000.db2.gz YKCKMUGPXYRRFA-UHFFFAOYSA-N 1 1 375.497 4.341 20 0 GIADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000032763814 821005663 /nfs/dbraw/zinc/00/56/63/821005663.db2.gz RVOCBAANMSCFFT-UHFFFAOYSA-N 1 1 398.506 4.020 20 0 GIADMO C[N@@H+](CCCNC(=O)c1cc(-c2ccccc2Cl)on1)Cc1ccccc1 ZINC000032766076 821005694 /nfs/dbraw/zinc/00/56/94/821005694.db2.gz IGYAEZXJKOGDTR-UHFFFAOYSA-N 1 1 383.879 4.247 20 0 GIADMO CCCn1ncc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1C1CC1 ZINC000123583753 823523820 /nfs/dbraw/zinc/52/38/20/823523820.db2.gz OQLOJKNTDAHXAT-SFHVURJKSA-N 1 1 394.563 4.332 20 0 GIADMO CCOC(=O)[C@](C)(C[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2)o1)c1ccccc1 ZINC000189980980 823521093 /nfs/dbraw/zinc/52/10/93/823521093.db2.gz XBGJCWAZBZAGQP-UZUQRXQVSA-N 1 1 393.487 4.217 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccc(OCc2cccs2)c1 ZINC000033017759 821026803 /nfs/dbraw/zinc/02/68/03/821026803.db2.gz PVGWTZJZYRDOMF-UHFFFAOYSA-N 1 1 392.524 4.115 20 0 GIADMO Cc1c(C(=O)Nc2cccc(COCc3ccco3)c2)cnn1-c1cc[nH+]cc1 ZINC000123572895 823522816 /nfs/dbraw/zinc/52/28/16/823522816.db2.gz ZNCFLHXSTPDWKO-UHFFFAOYSA-N 1 1 388.427 4.138 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000123574931 823522952 /nfs/dbraw/zinc/52/29/52/823522952.db2.gz ROMTXWGNUKIVLI-UHFFFAOYSA-N 1 1 377.579 4.456 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000177802717 823527848 /nfs/dbraw/zinc/52/78/48/823527848.db2.gz IVQHTMZGPXJPQG-CVEARBPZSA-N 1 1 389.952 4.091 20 0 GIADMO C[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCCC1 ZINC000036207614 821070180 /nfs/dbraw/zinc/07/01/80/821070180.db2.gz RCZDOINAJZAXKT-OAHLLOKOSA-N 1 1 397.544 4.167 20 0 GIADMO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000036684445 821075540 /nfs/dbraw/zinc/07/55/40/821075540.db2.gz HIPLQEJNLSITNK-SJLPKXTDSA-N 1 1 390.911 4.352 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCC(=O)c3ccc(F)cc3)cc2)C1 ZINC000060414167 823524968 /nfs/dbraw/zinc/52/49/68/823524968.db2.gz XJRSQMXUYUYMNF-GOSISDBHSA-N 1 1 396.506 4.337 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000460845154 823527033 /nfs/dbraw/zinc/52/70/33/823527033.db2.gz HVWVIWYEKGBLAH-AUSIDOKSSA-N 1 1 375.516 4.360 20 0 GIADMO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000190055682 823531336 /nfs/dbraw/zinc/53/13/36/823531336.db2.gz QLESLTXAMPQDCF-AUSIDOKSSA-N 1 1 375.516 4.110 20 0 GIADMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460865609 823531990 /nfs/dbraw/zinc/53/19/90/823531990.db2.gz PYVYELYHVXHSNR-AWEZNQCLSA-N 1 1 392.494 4.043 20 0 GIADMO COc1ccc(OCCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000060475297 823532152 /nfs/dbraw/zinc/53/21/52/823532152.db2.gz LEZASJOMODOGLQ-LJQANCHMSA-N 1 1 396.531 4.155 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)c2C1 ZINC000460866869 823532226 /nfs/dbraw/zinc/53/22/26/823532226.db2.gz UXACSSGOZZDTAW-GOSISDBHSA-N 1 1 397.906 4.057 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)c2C1 ZINC000460866869 823532231 /nfs/dbraw/zinc/53/22/31/823532231.db2.gz UXACSSGOZZDTAW-GOSISDBHSA-N 1 1 397.906 4.057 20 0 GIADMO C[N@@H+](Cc1cccc2ccccc21)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000060477847 823532604 /nfs/dbraw/zinc/53/26/04/823532604.db2.gz COYHCUTYDAGGLN-UHFFFAOYSA-N 1 1 395.466 4.306 20 0 GIADMO C[N@H+](Cc1cccc2ccccc21)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000060477847 823532605 /nfs/dbraw/zinc/53/26/05/823532605.db2.gz COYHCUTYDAGGLN-UHFFFAOYSA-N 1 1 395.466 4.306 20 0 GIADMO COc1cc(NC(=O)CC[N@H+]2C[C@H](C)[C@H]2c2ccccc2)c(OC)cc1Cl ZINC000177830571 823532625 /nfs/dbraw/zinc/53/26/25/823532625.db2.gz GTPWRUDNKCQNGV-QKKBWIMNSA-N 1 1 388.895 4.379 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000060505364 823535666 /nfs/dbraw/zinc/53/56/66/823535666.db2.gz POBKWODINLZODX-UHFFFAOYSA-N 1 1 395.528 4.278 20 0 GIADMO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483454 823533280 /nfs/dbraw/zinc/53/32/80/823533280.db2.gz PFWSWFUURSJUBY-ZACQAIPSSA-N 1 1 390.955 4.128 20 0 GIADMO COc1ccc2cc([C@H](C)C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)ccc2c1 ZINC000123708647 823533659 /nfs/dbraw/zinc/53/36/59/823533659.db2.gz OQPKQAFGOUFQRE-HNNXBMFYSA-N 1 1 386.455 4.480 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl ZINC000060488484 823533790 /nfs/dbraw/zinc/53/37/90/823533790.db2.gz SJHAXWQRDLWLNT-IXYLRAAXSA-N 1 1 375.944 4.211 20 0 GIADMO CCC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)CC1CCCCC1 ZINC000060495256 823534452 /nfs/dbraw/zinc/53/44/52/823534452.db2.gz WVHIFYIJDHGRTB-UHFFFAOYSA-N 1 1 386.580 4.143 20 0 GIADMO COCCOc1ccccc1C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000060527901 823538499 /nfs/dbraw/zinc/53/84/99/823538499.db2.gz PCBBASCXZVFIFV-UHFFFAOYSA-N 1 1 399.922 4.208 20 0 GIADMO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000123782448 823540297 /nfs/dbraw/zinc/54/02/97/823540297.db2.gz SDPYIEMPAHWUFO-HKUYNNGSSA-N 1 1 377.488 4.021 20 0 GIADMO CCN(C(=O)Cc1cc(C)ccc1OC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543811 823540420 /nfs/dbraw/zinc/54/04/20/823540420.db2.gz OTRSKZAYOHLSRI-UGKGYDQZSA-N 1 1 380.532 4.230 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccccc1C ZINC000042133491 821272412 /nfs/dbraw/zinc/27/24/12/821272412.db2.gz YRZFPZPFYPMPGC-UHFFFAOYSA-N 1 1 376.884 4.126 20 0 GIADMO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132579 821272483 /nfs/dbraw/zinc/27/24/83/821272483.db2.gz MTTCCNVRRBLIBO-ICSRJNTNSA-N 1 1 391.515 4.363 20 0 GIADMO CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccccc1C ZINC000042133474 821272701 /nfs/dbraw/zinc/27/27/01/821272701.db2.gz MXTGMJUUVWEECI-UHFFFAOYSA-N 1 1 376.884 4.126 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccccc1C ZINC000042133474 821272709 /nfs/dbraw/zinc/27/27/09/821272709.db2.gz MXTGMJUUVWEECI-UHFFFAOYSA-N 1 1 376.884 4.126 20 0 GIADMO Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C[NH2+]Cc1ccnn1C ZINC000042228458 821288395 /nfs/dbraw/zinc/28/83/95/821288395.db2.gz HPCJLBRKMLRORT-UHFFFAOYSA-N 1 1 398.725 4.223 20 0 GIADMO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000042227687 821288513 /nfs/dbraw/zinc/28/85/13/821288513.db2.gz BYJAEIZUCLYGSI-UHFFFAOYSA-N 1 1 383.927 4.202 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000042329693 821300888 /nfs/dbraw/zinc/30/08/88/821300888.db2.gz KKDVDKKLMJIYLR-AWEZNQCLSA-N 1 1 392.446 4.318 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000042329693 821300897 /nfs/dbraw/zinc/30/08/97/821300897.db2.gz KKDVDKKLMJIYLR-AWEZNQCLSA-N 1 1 392.446 4.318 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000042356084 821304091 /nfs/dbraw/zinc/30/40/91/821304091.db2.gz CWCYJXNIXJNZCE-VQIMIIECSA-N 1 1 399.560 4.394 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CC[NH+](Cc2cccs2)CC1 ZINC000042475258 821308449 /nfs/dbraw/zinc/30/84/49/821308449.db2.gz YRONVRSMFUQYCN-KRWDZBQOSA-N 1 1 385.577 4.018 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)[C@H](C)c2ccccc2)cc1OC ZINC000042473696 821308621 /nfs/dbraw/zinc/30/86/21/821308621.db2.gz KKFRAIRUBVKODT-YLJYHZDGSA-N 1 1 382.504 4.060 20 0 GIADMO O=C(c1ccc(SC(F)F)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000042655295 821320487 /nfs/dbraw/zinc/32/04/87/821320487.db2.gz NVNIVQJIQPTGIQ-UHFFFAOYSA-N 1 1 394.462 4.489 20 0 GIADMO O=C(c1ccc(SC(F)F)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000042655295 821320495 /nfs/dbraw/zinc/32/04/95/821320495.db2.gz NVNIVQJIQPTGIQ-UHFFFAOYSA-N 1 1 394.462 4.489 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000043158399 821370480 /nfs/dbraw/zinc/37/04/80/821370480.db2.gz CIMAMFXBAWKGFA-AWEZNQCLSA-N 1 1 377.410 4.274 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000043171234 821373258 /nfs/dbraw/zinc/37/32/58/821373258.db2.gz PYPJHQQENFIPAM-FQEVSTJZSA-N 1 1 375.557 4.412 20 0 GIADMO CCCc1csc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)n1 ZINC000180640740 821378909 /nfs/dbraw/zinc/37/89/09/821378909.db2.gz WGZZAMYEQVRPBJ-SFHVURJKSA-N 1 1 387.553 4.009 20 0 GIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 ZINC000043233229 821378954 /nfs/dbraw/zinc/37/89/54/821378954.db2.gz DDHUYGPDQMHSED-UHFFFAOYSA-N 1 1 377.410 4.152 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000180649321 821382349 /nfs/dbraw/zinc/38/23/49/821382349.db2.gz QDNDLRLBUDBACY-BLLLJJGKSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000180649321 821382354 /nfs/dbraw/zinc/38/23/54/821382354.db2.gz QDNDLRLBUDBACY-BLLLJJGKSA-N 1 1 387.833 4.038 20 0 GIADMO O=C(Nc1c(F)cccc1F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043265611 821382879 /nfs/dbraw/zinc/38/28/79/821382879.db2.gz ISZOTHPMJXFJER-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO O=C(Nc1c(F)cccc1F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043265611 821382885 /nfs/dbraw/zinc/38/28/85/821382885.db2.gz ISZOTHPMJXFJER-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000043268807 821383756 /nfs/dbraw/zinc/38/37/56/821383756.db2.gz FHNDENGPSKMWCM-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO Cn1c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)nc2cc(Cl)ccc21 ZINC000043272948 821384482 /nfs/dbraw/zinc/38/44/82/821384482.db2.gz CUUKTVZXRVNPPY-UHFFFAOYSA-N 1 1 382.895 4.077 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000180656504 821384572 /nfs/dbraw/zinc/38/45/72/821384572.db2.gz GGJOIDDDTACBJJ-UZLBHIALSA-N 1 1 385.508 4.233 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180685994 821395172 /nfs/dbraw/zinc/39/51/72/821395172.db2.gz ASWKCHFKLIUKKK-MSOLQXFVSA-N 1 1 399.963 4.198 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180685994 821395181 /nfs/dbraw/zinc/39/51/81/821395181.db2.gz ASWKCHFKLIUKKK-MSOLQXFVSA-N 1 1 399.963 4.198 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180748942 821432232 /nfs/dbraw/zinc/43/22/32/821432232.db2.gz IFSSGCJIOPDLJN-KPOBHBOGSA-N 1 1 396.934 4.182 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180748942 821432236 /nfs/dbraw/zinc/43/22/36/821432236.db2.gz IFSSGCJIOPDLJN-KPOBHBOGSA-N 1 1 396.934 4.182 20 0 GIADMO Cc1ncccc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749213 821432495 /nfs/dbraw/zinc/43/24/95/821432495.db2.gz RMWBZGKLTDMIFX-RTBURBONSA-N 1 1 375.875 4.136 20 0 GIADMO Cc1ncccc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749213 821432506 /nfs/dbraw/zinc/43/25/06/821432506.db2.gz RMWBZGKLTDMIFX-RTBURBONSA-N 1 1 375.875 4.136 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000180765133 821442103 /nfs/dbraw/zinc/44/21/03/821442103.db2.gz AOUGRUNDZSIDHW-SFHVURJKSA-N 1 1 387.451 4.089 20 0 GIADMO CCC(CC)c1nnc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC000043697996 821443136 /nfs/dbraw/zinc/44/31/36/821443136.db2.gz GDTXGTNAQBYZOM-UHFFFAOYSA-N 1 1 387.553 4.182 20 0 GIADMO CCC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000180779932 821452559 /nfs/dbraw/zinc/45/25/59/821452559.db2.gz FPURQGMLZIBHSB-OXJNMPFZSA-N 1 1 387.321 4.139 20 0 GIADMO COCCN(C(C)=O)c1nc(C[NH2+][C@H](c2cccc(C)c2)C(C)(C)C)cs1 ZINC000180794016 821462356 /nfs/dbraw/zinc/46/23/56/821462356.db2.gz WGDDMZZMMSKGLE-LJQANCHMSA-N 1 1 389.565 4.328 20 0 GIADMO COc1ccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1OCc1ccccc1 ZINC000180811333 821472819 /nfs/dbraw/zinc/47/28/19/821472819.db2.gz SAIIQIHXWYDBBC-BHIFYINESA-N 1 1 397.515 4.043 20 0 GIADMO COc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1OCc1ccccc1 ZINC000180811333 821472825 /nfs/dbraw/zinc/47/28/25/821472825.db2.gz SAIIQIHXWYDBBC-BHIFYINESA-N 1 1 397.515 4.043 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(SC)cc3)CC2)cc1 ZINC000043857135 821474333 /nfs/dbraw/zinc/47/43/33/821474333.db2.gz DCKFATFMKGVTHD-UHFFFAOYSA-N 1 1 385.533 4.157 20 0 GIADMO CCc1nc2c(s1)[C@@H]([N@H+](C)CCCS(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000180822997 821481383 /nfs/dbraw/zinc/48/13/83/821481383.db2.gz YYLOTBGLBHFQIJ-SFHVURJKSA-N 1 1 392.590 4.187 20 0 GIADMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCS(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000180822997 821481388 /nfs/dbraw/zinc/48/13/88/821481388.db2.gz YYLOTBGLBHFQIJ-SFHVURJKSA-N 1 1 392.590 4.187 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1NCc1ccccc1OCC(=O)NCC1CC1 ZINC000180845831 821491252 /nfs/dbraw/zinc/49/12/52/821491252.db2.gz XVOROUPDMLQUHW-UHFFFAOYSA-N 1 1 393.531 4.112 20 0 GIADMO Clc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180849831 821494096 /nfs/dbraw/zinc/49/40/96/821494096.db2.gz DRTWCHOUJQLYFO-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO Clc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180849831 821494099 /nfs/dbraw/zinc/49/40/99/821494099.db2.gz DRTWCHOUJQLYFO-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO Cc1sc2nc([C@@H](C)[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)nc(N)c2c1C ZINC000180855623 821497074 /nfs/dbraw/zinc/49/70/74/821497074.db2.gz KJVPWSKJQMIBDL-ZIAGYGMSSA-N 1 1 392.532 4.488 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180863871 821501015 /nfs/dbraw/zinc/50/10/15/821501015.db2.gz YZWOFTWCOSNARG-GOEBONIOSA-N 1 1 399.457 4.037 20 0 GIADMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000180868169 821503514 /nfs/dbraw/zinc/50/35/14/821503514.db2.gz LIIDZJZTJCDRLX-QAPCUYQASA-N 1 1 390.321 4.231 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1C ZINC000044048558 821511218 /nfs/dbraw/zinc/51/12/18/821511218.db2.gz OHWSQXRGKRLSAL-IBGZPJMESA-N 1 1 388.899 4.031 20 0 GIADMO Cn1c(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)nc2cc(C(F)(F)F)ccc21 ZINC000180884360 821512423 /nfs/dbraw/zinc/51/24/23/821512423.db2.gz FZMDXVMOYINSHB-UHFFFAOYSA-N 1 1 392.425 4.454 20 0 GIADMO COCC[NH+]1CCC(NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180917222 821536754 /nfs/dbraw/zinc/53/67/54/821536754.db2.gz VGQIXKIHYRXLMX-UHFFFAOYSA-N 1 1 382.426 4.166 20 0 GIADMO C[C@@H](CCO)[N@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1ccccc1 ZINC000180979171 821569992 /nfs/dbraw/zinc/56/99/92/821569992.db2.gz HJUKAHTWZGGBHU-HNNXBMFYSA-N 1 1 394.487 4.213 20 0 GIADMO C[C@@H](CCO)[N@@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1ccccc1 ZINC000180979171 821569995 /nfs/dbraw/zinc/56/99/95/821569995.db2.gz HJUKAHTWZGGBHU-HNNXBMFYSA-N 1 1 394.487 4.213 20 0 GIADMO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1Cl ZINC000180997883 821583601 /nfs/dbraw/zinc/58/36/01/821583601.db2.gz NZEPREOWNGQUMP-CQSZACIVSA-N 1 1 394.346 4.136 20 0 GIADMO Cc1cc(F)ccc1-c1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000180998510 821583840 /nfs/dbraw/zinc/58/38/40/821583840.db2.gz HVBVXRWTJBHAAO-OAQYLSRUSA-N 1 1 394.490 4.251 20 0 GIADMO Cc1cc2cc([C@@H](C)NCc3ccc(C(=O)NCC[NH+](C)C)cc3)oc2cc1C ZINC000180999146 821584147 /nfs/dbraw/zinc/58/41/47/821584147.db2.gz CGMHLXHVFYLQGV-GOSISDBHSA-N 1 1 393.531 4.192 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000181072501 821618420 /nfs/dbraw/zinc/61/84/20/821618420.db2.gz CDRPVGLELTVZQO-MEDUHNTESA-N 1 1 396.318 4.369 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000181082062 821623428 /nfs/dbraw/zinc/62/34/28/821623428.db2.gz NUSSIFOTZZYRPY-ZDUSSCGKSA-N 1 1 382.291 4.123 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000181134335 821654404 /nfs/dbraw/zinc/65/44/04/821654404.db2.gz FLRPOWSLERYHIN-SJLPKXTDSA-N 1 1 379.504 4.418 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136022 821655911 /nfs/dbraw/zinc/65/59/11/821655911.db2.gz ADOSOYPXXIDNHC-KRWDZBQOSA-N 1 1 379.504 4.277 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181147971 821664169 /nfs/dbraw/zinc/66/41/69/821664169.db2.gz ZVSYKXVOOQNJKH-NRFANRHFSA-N 1 1 375.516 4.081 20 0 GIADMO COc1ccc2oc(C)c(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)c2c1 ZINC000044919026 821680990 /nfs/dbraw/zinc/68/09/90/821680990.db2.gz VKDFBWZGZHEHRN-UHFFFAOYSA-N 1 1 378.472 4.098 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)ccc1F ZINC000181182973 821683015 /nfs/dbraw/zinc/68/30/15/821683015.db2.gz XQKRFKPOLFOVPE-OXJNMPFZSA-N 1 1 381.451 4.442 20 0 GIADMO COc1cc(N[C@H]2CCC[N@H+]([C@@H](C)c3nc4ccccc4o3)C2)cc(OC)c1 ZINC000181183465 821683024 /nfs/dbraw/zinc/68/30/24/821683024.db2.gz NBUOIJNJHYNSNB-HOTGVXAUSA-N 1 1 381.476 4.483 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)CCCn2ccnc2)on1 ZINC000181207412 821697668 /nfs/dbraw/zinc/69/76/68/821697668.db2.gz DSVSBXHIJDFXIW-UHFFFAOYSA-N 1 1 376.460 4.222 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNc2ccc3nnc(C(F)F)n3n2)c1 ZINC000181215905 821702120 /nfs/dbraw/zinc/70/21/20/821702120.db2.gz QGTITGNTDTZSQJ-UHFFFAOYSA-N 1 1 388.466 4.296 20 0 GIADMO CCCN(Cc1nnc(C2CC2)n1C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000181247775 821717206 /nfs/dbraw/zinc/71/72/06/821717206.db2.gz LAXHFOHQVBQJKP-JOCHJYFZSA-N 1 1 393.579 4.367 20 0 GIADMO Cc1sc2[nH]c(C[NH2+]C3(c4ccc(F)cc4F)CCCC3)nc(=O)c2c1C ZINC000181256435 821720920 /nfs/dbraw/zinc/72/09/20/821720920.db2.gz ONIBVHNAOXTJHO-UHFFFAOYSA-N 1 1 389.471 4.439 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccccc2N2CCCCC2)c2cccc(F)c2)cn1 ZINC000181266408 821724238 /nfs/dbraw/zinc/72/42/38/821724238.db2.gz RSLBUMSENGQUFT-HSZRJFAPSA-N 1 1 378.495 4.429 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181269514 821725776 /nfs/dbraw/zinc/72/57/76/821725776.db2.gz RTSRLMCKPKBQCZ-CQSZACIVSA-N 1 1 381.407 4.288 20 0 GIADMO C[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccc(N2CCOC2=O)cc1 ZINC000181271826 821727061 /nfs/dbraw/zinc/72/70/61/821727061.db2.gz DLRRPSNPQVQFBQ-LBPRGKRZSA-N 1 1 393.256 4.396 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H](C)c2cnn(C)c2C)on1 ZINC000181298417 821742739 /nfs/dbraw/zinc/74/27/39/821742739.db2.gz RHNULXAIDPXWII-AWEZNQCLSA-N 1 1 376.460 4.396 20 0 GIADMO Fc1ccc2oc(C[N@H+]3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)nc2c1 ZINC000181307619 821747126 /nfs/dbraw/zinc/74/71/26/821747126.db2.gz FQWKPIGVHANXJF-HNNXBMFYSA-N 1 1 377.423 4.132 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181321864 821758451 /nfs/dbraw/zinc/75/84/51/821758451.db2.gz XQYWMYNOVFMBBG-SFHVURJKSA-N 1 1 384.487 4.192 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000181330974 821763789 /nfs/dbraw/zinc/76/37/89/821763789.db2.gz QEMVASMHOKWAHU-OAHLLOKOSA-N 1 1 394.865 4.039 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nnc(-c2ccccc2)o1 ZINC000181339280 821770405 /nfs/dbraw/zinc/77/04/05/821770405.db2.gz JVOYYPZDBZGXFH-JKSUJKDBSA-N 1 1 376.460 4.275 20 0 GIADMO COc1ccc(-c2cnc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)o2)cc1 ZINC000181347703 821777538 /nfs/dbraw/zinc/77/75/38/821777538.db2.gz VFERBSSPUARGNX-MRXNPFEDSA-N 1 1 391.471 4.328 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1cccnc1 ZINC000181358485 821786023 /nfs/dbraw/zinc/78/60/23/821786023.db2.gz LORMTKGSYQCQAV-RHSMWYFYSA-N 1 1 396.541 4.233 20 0 GIADMO COCCC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(Br)cc1 ZINC000181422662 821818752 /nfs/dbraw/zinc/81/87/52/821818752.db2.gz BUSVJZQZDVRBTN-UGSOOPFHSA-N 1 1 380.330 4.169 20 0 GIADMO COc1ccccc1[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1ccco1 ZINC000181432028 821824245 /nfs/dbraw/zinc/82/42/45/821824245.db2.gz SLEOOHSZGCNGNJ-VBKZILBWSA-N 1 1 399.878 4.433 20 0 GIADMO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](c2ccco2)c2ccccc2OC)cc1 ZINC000181434139 821825108 /nfs/dbraw/zinc/82/51/08/821825108.db2.gz JEQHVIZRVHJAQA-HJPURHCSSA-N 1 1 394.471 4.393 20 0 GIADMO CCn1c2cccc(F)c2nc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181449910 821831364 /nfs/dbraw/zinc/83/13/64/821831364.db2.gz FOSQZUVIUOTVGM-HNNXBMFYSA-N 1 1 380.467 4.173 20 0 GIADMO C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181454229 821833204 /nfs/dbraw/zinc/83/32/04/821833204.db2.gz RGQACYWPAABJLI-HUUCEWRRSA-N 1 1 389.590 4.183 20 0 GIADMO C[C@H](NC(=O)CCc1cc(Br)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181471099 821841433 /nfs/dbraw/zinc/84/14/33/821841433.db2.gz MHRQDLBTZUNZCC-KBPBESRZSA-N 1 1 399.398 4.212 20 0 GIADMO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC)cc2Br)cc1 ZINC000181506114 821857951 /nfs/dbraw/zinc/85/79/51/821857951.db2.gz APGCWWMFAPHGHU-CYBMUJFWSA-N 1 1 391.309 4.058 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1cccc(O)c1 ZINC000181512023 821861570 /nfs/dbraw/zinc/86/15/70/821861570.db2.gz UIPCBOKMFVCMAQ-RDTXWAMCSA-N 1 1 395.484 4.075 20 0 GIADMO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000181534753 821871381 /nfs/dbraw/zinc/87/13/81/821871381.db2.gz MKRZFPOSUSLTGE-CQSZACIVSA-N 1 1 393.503 4.247 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2OC)c(Br)c1 ZINC000181536049 821872058 /nfs/dbraw/zinc/87/20/58/821872058.db2.gz IRAPRFBLBHCBSU-GFCCVEGCSA-N 1 1 380.282 4.326 20 0 GIADMO C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181543472 821874825 /nfs/dbraw/zinc/87/48/25/821874825.db2.gz AEFDIKKRJQCIQU-DLBZAZTESA-N 1 1 399.510 4.183 20 0 GIADMO C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181629773 821912612 /nfs/dbraw/zinc/91/26/12/821912612.db2.gz PKKVMDQEFNGVIV-IEBWSBKVSA-N 1 1 379.504 4.257 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)cc1F ZINC000181646762 821920721 /nfs/dbraw/zinc/92/07/21/821920721.db2.gz CZMRQTZCUJFHLC-SFHVURJKSA-N 1 1 389.471 4.238 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 ZINC000181649641 821922238 /nfs/dbraw/zinc/92/22/38/821922238.db2.gz ZLKWYVGELJGFEH-IBGZPJMESA-N 1 1 381.501 4.034 20 0 GIADMO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181652451 821924174 /nfs/dbraw/zinc/92/41/74/821924174.db2.gz FTDMHLJRWPPCGV-LBPRGKRZSA-N 1 1 385.888 4.132 20 0 GIADMO C[C@@H](NC(=O)c1ccc(OCc2ccccc2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181659214 821927617 /nfs/dbraw/zinc/92/76/17/821927617.db2.gz GQEPEWIEFLZLTE-NQIIRXRSSA-N 1 1 393.531 4.043 20 0 GIADMO CC[C@@H]([NH2+]C1CCN(CCCOC)CC1)c1cc(F)cc(Br)c1 ZINC000181660443 821928396 /nfs/dbraw/zinc/92/83/96/821928396.db2.gz DLNLHFQEFCCQSA-GOSISDBHSA-N 1 1 387.337 4.130 20 0 GIADMO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1cc(F)cc(Br)c1 ZINC000181660443 821928404 /nfs/dbraw/zinc/92/84/04/821928404.db2.gz DLNLHFQEFCCQSA-GOSISDBHSA-N 1 1 387.337 4.130 20 0 GIADMO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000181661984 821929640 /nfs/dbraw/zinc/92/96/40/821929640.db2.gz IZGAAQVFMYRYST-UHFFFAOYSA-N 1 1 398.410 4.159 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1cccc2ccccc21 ZINC000181667525 821934173 /nfs/dbraw/zinc/93/41/73/821934173.db2.gz LIYVLKCMBUOQMC-MRXNPFEDSA-N 1 1 384.501 4.068 20 0 GIADMO C[C@H](NC(=O)c1occc1COc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669191 821935010 /nfs/dbraw/zinc/93/50/10/821935010.db2.gz NXAOSGQNOUCXSZ-ZWKOTPCHSA-N 1 1 382.504 4.241 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c(Br)c1 ZINC000181670621 821935478 /nfs/dbraw/zinc/93/54/78/821935478.db2.gz DPIKPZRURKOECS-ZDUSSCGKSA-N 1 1 392.293 4.470 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)cc1 ZINC000181676159 821939250 /nfs/dbraw/zinc/93/92/50/821939250.db2.gz YWDRBSCKYARWBW-HKUYNNGSSA-N 1 1 397.588 4.430 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)cc1 ZINC000181676118 821939310 /nfs/dbraw/zinc/93/93/10/821939310.db2.gz YWDRBSCKYARWBW-PKOBYXMFSA-N 1 1 397.588 4.430 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)cc1OC ZINC000181685659 821943903 /nfs/dbraw/zinc/94/39/03/821943903.db2.gz YSKUUPPWWVEOEU-NSHDSACASA-N 1 1 396.256 4.234 20 0 GIADMO O=C(CC[N@H+]1CCCCC[C@@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181711233 821955229 /nfs/dbraw/zinc/95/52/29/821955229.db2.gz VEXHZJKIWBAXJL-QGZVFWFLSA-N 1 1 375.400 4.273 20 0 GIADMO Cc1cc2cc(C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)oc2c(Br)c1 ZINC000181757375 821979217 /nfs/dbraw/zinc/97/92/17/821979217.db2.gz YHPADACIYKRQPX-CZUORRHYSA-N 1 1 391.309 4.060 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccc(-n2cccn2)cc1 ZINC000181765054 821983241 /nfs/dbraw/zinc/98/32/41/821983241.db2.gz DIQNXPKDBBEOQX-HNNXBMFYSA-N 1 1 379.414 4.187 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccn1 ZINC000181778061 821988397 /nfs/dbraw/zinc/98/83/97/821988397.db2.gz AFPBLTTYPYIOAW-CVEARBPZSA-N 1 1 381.476 4.191 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1Cl ZINC000181781204 821990194 /nfs/dbraw/zinc/99/01/94/821990194.db2.gz LSBMVVBSHOIFIA-UHFFFAOYSA-N 1 1 388.842 4.208 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1Cl ZINC000181781204 821990202 /nfs/dbraw/zinc/99/02/02/821990202.db2.gz LSBMVVBSHOIFIA-UHFFFAOYSA-N 1 1 388.842 4.208 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)c1ccccn1 ZINC000181814809 822004265 /nfs/dbraw/zinc/00/42/65/822004265.db2.gz KLPJJHZGWODEPD-KSFYIVLOSA-N 1 1 379.891 4.291 20 0 GIADMO COC(=O)c1cc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c(C)s1 ZINC000181822951 822006814 /nfs/dbraw/zinc/00/68/14/822006814.db2.gz OKDXGVJZHQNJEH-KRWDZBQOSA-N 1 1 375.490 4.016 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(OC)cc1 ZINC000181843705 822015086 /nfs/dbraw/zinc/01/50/86/822015086.db2.gz MKJXERTVOUHKFK-IBGZPJMESA-N 1 1 381.501 4.159 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1ccc(-n2cncn2)cc1 ZINC000181874719 822023392 /nfs/dbraw/zinc/02/33/92/822023392.db2.gz POEFAKSOVBBDLK-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC(F)(F)F)c1 ZINC000181901605 822031550 /nfs/dbraw/zinc/03/15/50/822031550.db2.gz QXNWGRYLKUKGAG-JTQLQIEISA-N 1 1 381.310 4.485 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](C)c3ccc4c(c3)CCCC4)nc2c1 ZINC000181929573 822038320 /nfs/dbraw/zinc/03/83/20/822038320.db2.gz GSZQCNPZWLDORM-HNNXBMFYSA-N 1 1 398.528 4.351 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H](c4cc(C)cc(C)c4)C3)CC2)cs1 ZINC000181944955 822042025 /nfs/dbraw/zinc/04/20/25/822042025.db2.gz AVXJUWMNGZXPEZ-HXUWFJFHSA-N 1 1 397.588 4.296 20 0 GIADMO C[C@@H](c1ccc(NC(=O)c2ccc(F)c(Cl)c2F)cc1)[NH+]1CCOCC1 ZINC000181956507 822045348 /nfs/dbraw/zinc/04/53/48/822045348.db2.gz SNWWKNYLANATLV-LBPRGKRZSA-N 1 1 380.822 4.264 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181974843 822049793 /nfs/dbraw/zinc/04/97/93/822049793.db2.gz DQRLPOPLKJRERZ-ZDUSSCGKSA-N 1 1 384.430 4.057 20 0 GIADMO CCN(C(=O)C[NH2+][C@@H](C)c1cccc(F)c1F)c1nc2ccccc2s1 ZINC000181981948 822052118 /nfs/dbraw/zinc/05/21/18/822052118.db2.gz YQIMNHNZMRXHNW-LBPRGKRZSA-N 1 1 375.444 4.278 20 0 GIADMO CCO[C@H](C)c1nc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cs1 ZINC000181982344 822052288 /nfs/dbraw/zinc/05/22/88/822052288.db2.gz NGVWMYCZNIENQZ-AUUYWEPGSA-N 1 1 376.522 4.499 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(Br)c1 ZINC000182006184 822060238 /nfs/dbraw/zinc/06/02/38/822060238.db2.gz ILMGTVUFVPKYGS-IPQOISQHSA-N 1 1 382.323 4.046 20 0 GIADMO Cc1nnc(C[NH2+][C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1C1CC1 ZINC000182013650 822062905 /nfs/dbraw/zinc/06/29/05/822062905.db2.gz LGNSYZKYOGDXGK-OAHLLOKOSA-N 1 1 380.467 4.490 20 0 GIADMO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccc(-n2ccnn2)cc1 ZINC000182017626 822064389 /nfs/dbraw/zinc/06/43/89/822064389.db2.gz MYYDZBJFZBYNFD-GFCCVEGCSA-N 1 1 375.245 4.020 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000182021640 822065259 /nfs/dbraw/zinc/06/52/59/822065259.db2.gz VRAFBGKZPYHVKZ-ZRGWGRIASA-N 1 1 391.357 4.029 20 0 GIADMO C[N@H+](Cc1cccnc1)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000182027773 822067213 /nfs/dbraw/zinc/06/72/13/822067213.db2.gz DZRSTHVHDIVCPX-UHFFFAOYSA-N 1 1 398.304 4.450 20 0 GIADMO C[N@@H+](Cc1cccnc1)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000182027773 822067222 /nfs/dbraw/zinc/06/72/22/822067222.db2.gz DZRSTHVHDIVCPX-UHFFFAOYSA-N 1 1 398.304 4.450 20 0 GIADMO CCC[C@@H]1CN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000182054683 822076062 /nfs/dbraw/zinc/07/60/62/822076062.db2.gz FVGWIKLQLCWOIX-JOCHJYFZSA-N 1 1 393.531 4.080 20 0 GIADMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000182064550 822078926 /nfs/dbraw/zinc/07/89/26/822078926.db2.gz DFMJVAJBOKXVEU-CYBMUJFWSA-N 1 1 377.282 4.198 20 0 GIADMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000182089414 822088643 /nfs/dbraw/zinc/08/86/43/822088643.db2.gz QIFWNBAGRDPBQZ-OAHLLOKOSA-N 1 1 399.336 4.186 20 0 GIADMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000182089397 822088881 /nfs/dbraw/zinc/08/88/81/822088881.db2.gz QIFWNBAGRDPBQZ-HNNXBMFYSA-N 1 1 399.336 4.186 20 0 GIADMO CCOc1cccc2cc([C@@H](C)NCc3ccnc(OCC[NH+](C)C)c3)oc21 ZINC000182090841 822089960 /nfs/dbraw/zinc/08/99/60/822089960.db2.gz DNBGYEINZKSENN-MRXNPFEDSA-N 1 1 383.492 4.018 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000182096527 822092580 /nfs/dbraw/zinc/09/25/80/822092580.db2.gz SMGWVPHGTNCXDB-LJQANCHMSA-N 1 1 391.515 4.301 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000182122011 822103502 /nfs/dbraw/zinc/10/35/02/822103502.db2.gz BELRUTIFCZEOQW-QRVBRYPASA-N 1 1 379.548 4.452 20 0 GIADMO COc1ccc([C@@H](C)NCc2ccc3c(c2)OCO3)cc1C[NH+]1CCCCC1 ZINC000182192411 822140254 /nfs/dbraw/zinc/14/02/54/822140254.db2.gz FRRYKPQZAOXAEE-QGZVFWFLSA-N 1 1 382.504 4.261 20 0 GIADMO COc1cc(Br)ccc1C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000182209159 822148597 /nfs/dbraw/zinc/14/85/97/822148597.db2.gz DUKDTNDWZQZLRN-ZLOXQWCVSA-N 1 1 396.350 4.388 20 0 GIADMO COc1cc(Br)ccc1C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000182209159 822148604 /nfs/dbraw/zinc/14/86/04/822148604.db2.gz DUKDTNDWZQZLRN-ZLOXQWCVSA-N 1 1 396.350 4.388 20 0 GIADMO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000182225293 822155872 /nfs/dbraw/zinc/15/58/72/822155872.db2.gz XCLPUOKQNHFZFQ-QFBILLFUSA-N 1 1 390.474 4.096 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000182225293 822155878 /nfs/dbraw/zinc/15/58/78/822155878.db2.gz XCLPUOKQNHFZFQ-QFBILLFUSA-N 1 1 390.474 4.096 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)cs2)c1 ZINC000182294826 822190760 /nfs/dbraw/zinc/19/07/60/822190760.db2.gz ZYNVFZVPSNOMRO-CYBMUJFWSA-N 1 1 396.468 4.176 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000182310300 822198427 /nfs/dbraw/zinc/19/84/27/822198427.db2.gz LCCDTLLNGCCOBB-HZPDHXFCSA-N 1 1 381.701 4.370 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182380164 822222219 /nfs/dbraw/zinc/22/22/19/822222219.db2.gz ZFFCVEYOPAWQDT-HOCLYGCPSA-N 1 1 399.457 4.037 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182391499 822226655 /nfs/dbraw/zinc/22/66/55/822226655.db2.gz VEBKUUKNZKIDKI-PKOBYXMFSA-N 1 1 395.547 4.301 20 0 GIADMO COc1ccc([C@H](CCO)[NH2+]Cc2csc(-c3ccccc3OC)n2)cc1 ZINC000182398274 822229362 /nfs/dbraw/zinc/22/93/62/822229362.db2.gz YEVZHVUEMPCKCT-IBGZPJMESA-N 1 1 384.501 4.041 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1c(C)noc1C ZINC000182428208 822239840 /nfs/dbraw/zinc/23/98/40/822239840.db2.gz JQLBPEQMMXAXMW-LBPRGKRZSA-N 1 1 376.507 4.156 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](CC)c2c(C)noc2C)cc1 ZINC000182466989 822254535 /nfs/dbraw/zinc/25/45/35/822254535.db2.gz AGRZKQVWPCKFLT-WOJBJXKFSA-N 1 1 385.508 4.095 20 0 GIADMO C[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)n1cnc2ccccc21 ZINC000177971222 822263411 /nfs/dbraw/zinc/26/34/11/822263411.db2.gz SXQPLZRJKKSROQ-RTBURBONSA-N 1 1 382.552 4.100 20 0 GIADMO Cc1c([C@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)nnn1-c1ccc(F)cc1 ZINC000177978683 822267435 /nfs/dbraw/zinc/26/74/35/822267435.db2.gz QDNFRUMKBWDQIM-KRWDZBQOSA-N 1 1 395.526 4.406 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4c(c3)C(=O)CCC4)cc2)C[C@@H](C)O1 ZINC000177982933 822268690 /nfs/dbraw/zinc/26/86/90/822268690.db2.gz JLKYRHUIDHWZKG-IAGOWNOFSA-N 1 1 392.499 4.067 20 0 GIADMO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000178002263 822278015 /nfs/dbraw/zinc/27/80/15/822278015.db2.gz BNVADPCXDZDCLK-AWEZNQCLSA-N 1 1 387.446 4.300 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 ZINC000178012467 822281851 /nfs/dbraw/zinc/28/18/51/822281851.db2.gz FNPFSIKHDQLBEY-SFHVURJKSA-N 1 1 385.483 4.210 20 0 GIADMO CC[C@H](C)[N@@H+](CCCOCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000182524348 822282791 /nfs/dbraw/zinc/28/27/91/822282791.db2.gz LQJKJCIAWNWBPA-SFHVURJKSA-N 1 1 379.504 4.131 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000182546942 822295397 /nfs/dbraw/zinc/29/53/97/822295397.db2.gz FYBFSTFJCFAJPF-UHFFFAOYSA-N 1 1 375.538 4.264 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182548616 822296207 /nfs/dbraw/zinc/29/62/07/822296207.db2.gz YHGZHDSSKOSLIH-QGZVFWFLSA-N 1 1 376.460 4.080 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182548616 822296217 /nfs/dbraw/zinc/29/62/17/822296217.db2.gz YHGZHDSSKOSLIH-QGZVFWFLSA-N 1 1 376.460 4.080 20 0 GIADMO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)c(Cl)c1Cl ZINC000178048982 822300289 /nfs/dbraw/zinc/30/02/89/822300289.db2.gz BIWCZWUGDYIERB-JTQLQIEISA-N 1 1 382.682 4.473 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182557174 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4.123 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1)c1ccccc1 ZINC000178059974 822305213 /nfs/dbraw/zinc/30/52/13/822305213.db2.gz OAJPXTQBBZDYJV-QGZVFWFLSA-N 1 1 393.462 4.123 20 0 GIADMO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(S(=O)(=O)C4CCCC4)cc3)cn21 ZINC000178062629 822305793 /nfs/dbraw/zinc/30/57/93/822305793.db2.gz UWGGLVFRDVNDFX-KRWDZBQOSA-N 1 1 397.544 4.210 20 0 GIADMO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182567422 822306480 /nfs/dbraw/zinc/30/64/80/822306480.db2.gz UPQVUDGYCYVGLT-OAHLLOKOSA-N 1 1 376.485 4.499 20 0 GIADMO CCCN(C(=O)[C@@H](C)c1c(C)n[nH]c1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000182574760 822308598 /nfs/dbraw/zinc/30/85/98/822308598.db2.gz KRENOOLOQDTSGC-UWJYYQICSA-N 1 1 382.552 4.033 20 0 GIADMO CN(C)C(=O)Cc1nc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)cs1 ZINC000182584047 822312271 /nfs/dbraw/zinc/31/22/71/822312271.db2.gz DXUHZEQGGQZNEP-LJQANCHMSA-N 1 1 377.941 4.058 20 0 GIADMO Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182595330 822316351 /nfs/dbraw/zinc/31/63/51/822316351.db2.gz FFFFAYPJYDFJHO-IBGZPJMESA-N 1 1 392.421 4.416 20 0 GIADMO Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182595330 822316359 /nfs/dbraw/zinc/31/63/59/822316359.db2.gz FFFFAYPJYDFJHO-IBGZPJMESA-N 1 1 392.421 4.416 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000178131641 822328546 /nfs/dbraw/zinc/32/85/46/822328546.db2.gz HCWKINYBEQBNPY-WZONZLPQSA-N 1 1 393.531 4.074 20 0 GIADMO O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178155417 822336107 /nfs/dbraw/zinc/33/61/07/822336107.db2.gz WTBCFOIUAKOUMM-SFHVURJKSA-N 1 1 397.494 4.284 20 0 GIADMO CC(C)[N@@H+](C)Cc1cccc(CNCc2cc(O)ccc2Br)c1 ZINC000178162204 822337814 /nfs/dbraw/zinc/33/78/14/822337814.db2.gz UHESJUJBZKADBX-UHFFFAOYSA-N 1 1 377.326 4.285 20 0 GIADMO CC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1F ZINC000182651818 822339564 /nfs/dbraw/zinc/33/95/64/822339564.db2.gz SOGPGIKOJLFZNK-MDOVXXIYSA-N 1 1 379.495 4.368 20 0 GIADMO O=C1C[C@H](c2ccccc2F)CN1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000182655214 822340216 /nfs/dbraw/zinc/34/02/16/822340216.db2.gz VJNWZLRYXNOJLN-IRXDYDNUSA-N 1 1 393.462 4.120 20 0 GIADMO O=C1C[C@H](c2ccccc2F)CN1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000182655214 822340227 /nfs/dbraw/zinc/34/02/27/822340227.db2.gz VJNWZLRYXNOJLN-IRXDYDNUSA-N 1 1 393.462 4.120 20 0 GIADMO Cc1cc(N2CCSCC2)ccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178172294 822340991 /nfs/dbraw/zinc/34/09/91/822340991.db2.gz GGVNUIAOTDULBO-GOSISDBHSA-N 1 1 387.593 4.141 20 0 GIADMO Cc1c2cccc(Cl)c2oc1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000178177788 822343532 /nfs/dbraw/zinc/34/35/32/822343532.db2.gz NWISRIYACOEJIX-UHFFFAOYSA-N 1 1 398.894 4.200 20 0 GIADMO COc1ccc([C@H](C)CCNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182666576 822344473 /nfs/dbraw/zinc/34/44/73/822344473.db2.gz DMDBCKMVVUNXPY-QWFCFKBJSA-N 1 1 387.568 4.141 20 0 GIADMO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1F ZINC000182680541 822349315 /nfs/dbraw/zinc/34/93/15/822349315.db2.gz TWJGAEKTZZGOGA-OWCLPIDISA-N 1 1 379.495 4.021 20 0 GIADMO CCOC(=O)c1sc2[nH]c([C@H](C)[NH2+][C@H](C)C3CCCCC3)nc(=O)c2c1C ZINC000182693918 822353177 /nfs/dbraw/zinc/35/31/77/822353177.db2.gz UVVZOBUELGITTF-OLZOCXBDSA-N 1 1 391.537 4.089 20 0 GIADMO CN(C)C(=O)Sc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000178233992 822357072 /nfs/dbraw/zinc/35/70/72/822357072.db2.gz JCHCKXJIPRSZGU-OAHLLOKOSA-N 1 1 375.538 4.053 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)cc1 ZINC000045033953 822358515 /nfs/dbraw/zinc/35/85/15/822358515.db2.gz TWFCYFVZBFMBBT-UHFFFAOYSA-N 1 1 389.499 4.038 20 0 GIADMO CC(C)[N@H+]1CCCN(c2nnc([C@H](C)Oc3ccc4ccccc4c3)n2C)CC1 ZINC000453422954 822360680 /nfs/dbraw/zinc/36/06/80/822360680.db2.gz LBHVFWAAXNOXKH-SFHVURJKSA-N 1 1 393.535 4.029 20 0 GIADMO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1OC1CCOCC1 ZINC000178265212 822360879 /nfs/dbraw/zinc/36/08/79/822360879.db2.gz VILZXRCDTICYEY-GOSISDBHSA-N 1 1 386.536 4.146 20 0 GIADMO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)c2ccco2)cc1 ZINC000453427041 822361648 /nfs/dbraw/zinc/36/16/48/822361648.db2.gz ZHPOZSMZHRYPBF-XDHUDOTRSA-N 1 1 392.499 4.407 20 0 GIADMO COc1ccc(CN[C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)cc1O ZINC000182747474 822361801 /nfs/dbraw/zinc/36/18/01/822361801.db2.gz WZFXKVSHSCTHCY-KRWDZBQOSA-N 1 1 384.520 4.246 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(Cl)sc1Cl ZINC000178298841 822364796 /nfs/dbraw/zinc/36/47/96/822364796.db2.gz LAVXHOOYRKYIKD-SNVBAGLBSA-N 1 1 378.346 4.450 20 0 GIADMO CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453452664 822366228 /nfs/dbraw/zinc/36/62/28/822366228.db2.gz QEOWTPYJAROJKH-TYPHKJRUSA-N 1 1 397.567 4.029 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182782041 822366697 /nfs/dbraw/zinc/36/66/97/822366697.db2.gz HJBDJTRNJLHHLA-CTNGQTDRSA-N 1 1 398.595 4.129 20 0 GIADMO CC[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)[C@H](C)c1cccc(O)c1 ZINC000178380083 822373246 /nfs/dbraw/zinc/37/32/46/822373246.db2.gz FEAPFZOKYBJNBL-QGZVFWFLSA-N 1 1 378.472 4.498 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182828000 822374084 /nfs/dbraw/zinc/37/40/84/822374084.db2.gz SUPAEZZFBFMDMP-CVEARBPZSA-N 1 1 394.441 4.183 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182828000 822374086 /nfs/dbraw/zinc/37/40/86/822374086.db2.gz SUPAEZZFBFMDMP-CVEARBPZSA-N 1 1 394.441 4.183 20 0 GIADMO CCN(c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)C(C)C ZINC000178429666 822378299 /nfs/dbraw/zinc/37/82/99/822378299.db2.gz ADVOZOACLHXRBV-XMSQKQJNSA-N 1 1 384.568 4.402 20 0 GIADMO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178430253 822378309 /nfs/dbraw/zinc/37/83/09/822378309.db2.gz PMTADHMGVTXNDB-MLGOLLRUSA-N 1 1 399.869 4.422 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc21 ZINC000178449265 822380088 /nfs/dbraw/zinc/38/00/88/822380088.db2.gz QAEKPWOKTXAKPD-YLJYHZDGSA-N 1 1 381.524 4.098 20 0 GIADMO C[C@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182863056 822381441 /nfs/dbraw/zinc/38/14/41/822381441.db2.gz WBTLIAPGLQFAQD-PXNSSMCTSA-N 1 1 387.543 4.400 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)Nc3c(F)cc(Cl)cc3F)CC2)[nH+]1 ZINC000182863972 822381540 /nfs/dbraw/zinc/38/15/40/822381540.db2.gz PHVXGIYALMTEPI-UHFFFAOYSA-N 1 1 380.826 4.112 20 0 GIADMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000178482675 822383886 /nfs/dbraw/zinc/38/38/86/822383886.db2.gz QCFIJVAYPWDVSU-CYBMUJFWSA-N 1 1 391.393 4.405 20 0 GIADMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000178482675 822383891 /nfs/dbraw/zinc/38/38/91/822383891.db2.gz QCFIJVAYPWDVSU-CYBMUJFWSA-N 1 1 391.393 4.405 20 0 GIADMO Cc1cc(Br)c(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)s1 ZINC000453560003 822384919 /nfs/dbraw/zinc/38/49/19/822384919.db2.gz FYWSDFSHAXTXST-UHFFFAOYSA-N 1 1 399.398 4.480 20 0 GIADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)Nc1ccc2ccccc2c1 ZINC000182881168 822385265 /nfs/dbraw/zinc/38/52/65/822385265.db2.gz OMHNXDMWELSRLX-QHCPKHFHSA-N 1 1 389.499 4.118 20 0 GIADMO Cc1cc(Br)c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)s1 ZINC000453566790 822385462 /nfs/dbraw/zinc/38/54/62/822385462.db2.gz STBDRJKNEPBBKH-ZDUSSCGKSA-N 1 1 387.387 4.193 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(F)cc3C(F)(F)F)cc2)CC1 ZINC000178498749 822385492 /nfs/dbraw/zinc/38/54/92/822385492.db2.gz YMTVYUICWKQHBF-UHFFFAOYSA-N 1 1 395.400 4.239 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1Cl ZINC000178499658 822385510 /nfs/dbraw/zinc/38/55/10/822385510.db2.gz GLIPTYZFYONCHO-LBPRGKRZSA-N 1 1 387.332 4.095 20 0 GIADMO COc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000178543147 822389911 /nfs/dbraw/zinc/38/99/11/822389911.db2.gz LLLNXJXRMNFSEO-DENIHFKCSA-N 1 1 379.504 4.214 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182905228 822389837 /nfs/dbraw/zinc/38/98/37/822389837.db2.gz ANFUFUVNRQWARI-NVXWUHKLSA-N 1 1 397.485 4.500 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182905271 822389902 /nfs/dbraw/zinc/38/99/02/822389902.db2.gz ANFUFUVNRQWARI-WBVHZDCISA-N 1 1 397.485 4.500 20 0 GIADMO Cc1nc(CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cs1 ZINC000045488845 822390110 /nfs/dbraw/zinc/39/01/10/822390110.db2.gz BTPUMAKCWIZXCM-UHFFFAOYSA-N 1 1 383.521 4.184 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182908604 822390670 /nfs/dbraw/zinc/39/06/70/822390670.db2.gz OLIADJXOOROEIC-UONOGXRCSA-N 1 1 380.330 4.224 20 0 GIADMO Cc1cc(C(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(C)n1CCc1cccs1 ZINC000178594843 822394883 /nfs/dbraw/zinc/39/48/83/822394883.db2.gz UKZZZNSVVIKRTE-SFHVURJKSA-N 1 1 386.561 4.093 20 0 GIADMO COc1cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)ccc1OCC(F)(F)F ZINC000453626073 822395268 /nfs/dbraw/zinc/39/52/68/822395268.db2.gz RTAMZOFANUVOTP-UHFFFAOYSA-N 1 1 385.430 4.028 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NC3(Cc4ccccc4)CCCC3)CC2)cs1 ZINC000182945112 822397727 /nfs/dbraw/zinc/39/77/27/822397727.db2.gz WHHAIMQLXSVXEA-UHFFFAOYSA-N 1 1 397.588 4.335 20 0 GIADMO O=C(Nc1c[nH]nc1-c1ccccc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000178703386 822404071 /nfs/dbraw/zinc/40/40/71/822404071.db2.gz GOPCWZJCZZJMRA-SFHVURJKSA-N 1 1 378.451 4.067 20 0 GIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000183005411 822409621 /nfs/dbraw/zinc/40/96/21/822409621.db2.gz LAOARGSUMINOAS-RTWAWAEBSA-N 1 1 383.923 4.353 20 0 GIADMO CCC[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(OC)cc1 ZINC000183007370 822410411 /nfs/dbraw/zinc/41/04/11/822410411.db2.gz RZYMBVRKXNGYAN-FGZHOGPDSA-N 1 1 381.520 4.098 20 0 GIADMO COc1cccc(CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000045759214 822411053 /nfs/dbraw/zinc/41/10/53/822411053.db2.gz YFPAEUPDKYYZIO-UHFFFAOYSA-N 1 1 392.503 4.428 20 0 GIADMO Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045780061 822412852 /nfs/dbraw/zinc/41/28/52/822412852.db2.gz CBVZYMUJFXRPMJ-INIZCTEOSA-N 1 1 384.524 4.007 20 0 GIADMO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)on1 ZINC000045780718 822413002 /nfs/dbraw/zinc/41/30/02/822413002.db2.gz DJKAHTNNZNBPDW-GHTZIAJQSA-N 1 1 396.535 4.404 20 0 GIADMO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000045789377 822414034 /nfs/dbraw/zinc/41/40/34/822414034.db2.gz DDHYGKAIPNADCW-IBGZPJMESA-N 1 1 380.536 4.045 20 0 GIADMO Cc1nc2ccccc2nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178826626 822414415 /nfs/dbraw/zinc/41/44/15/822414415.db2.gz JJIWXNLEEDSIBA-JWTNVVGKSA-N 1 1 396.535 4.301 20 0 GIADMO COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1-c1ccccn1 ZINC000178857917 822416769 /nfs/dbraw/zinc/41/67/69/822416769.db2.gz XNUAURIRDMZZRB-UHFFFAOYSA-N 1 1 381.520 4.094 20 0 GIADMO c1nn(-c2cc[nH+]cc2)c2ncnc(NCc3ccc(Oc4ccccc4)nc3)c12 ZINC000178892444 822419688 /nfs/dbraw/zinc/41/96/88/822419688.db2.gz LQBXDUYEDOPGOX-UHFFFAOYSA-N 1 1 395.426 4.010 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(CSCC)cc3)c2C1 ZINC000453977322 822420600 /nfs/dbraw/zinc/42/06/00/822420600.db2.gz SETAMQUKOBEJET-UHFFFAOYSA-N 1 1 397.544 4.243 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(CSCC)cc3)c2C1 ZINC000453977322 822420603 /nfs/dbraw/zinc/42/06/03/822420603.db2.gz SETAMQUKOBEJET-UHFFFAOYSA-N 1 1 397.544 4.243 20 0 GIADMO COc1ccc(-c2nc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)co2)cc1 ZINC000045913766 822423390 /nfs/dbraw/zinc/42/33/90/822423390.db2.gz GOKSUZVKBHQUIH-QFIPXVFZSA-N 1 1 378.472 4.296 20 0 GIADMO CC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)C1CCCC1 ZINC000454030636 822423794 /nfs/dbraw/zinc/42/37/94/822423794.db2.gz LXCIFKGJXLUYMY-JXFKEZNVSA-N 1 1 385.552 4.070 20 0 GIADMO C[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104177 822424831 /nfs/dbraw/zinc/42/48/31/822424831.db2.gz MPGQOOMIHNDULT-DOTOQJQBSA-N 1 1 399.560 4.281 20 0 GIADMO CCOc1cccc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)c1OC(F)F ZINC000183106938 822425454 /nfs/dbraw/zinc/42/54/54/822425454.db2.gz JIINBFRAZKLEEI-INIZCTEOSA-N 1 1 387.373 4.442 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000178990449 822427134 /nfs/dbraw/zinc/42/71/34/822427134.db2.gz PPWWIOMFBRXFAL-XLIONFOSSA-N 1 1 399.535 4.123 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NC(C)(C)c1ccccc1Br ZINC000179001488 822428393 /nfs/dbraw/zinc/42/83/93/822428393.db2.gz AAJDQVWJIVGHRF-UHFFFAOYSA-N 1 1 378.314 4.211 20 0 GIADMO c1c(C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)nnn1Cc1cccnc1 ZINC000183130544 822428483 /nfs/dbraw/zinc/42/84/83/822428483.db2.gz HVKAKNHPXISRIL-RUZDIDTESA-N 1 1 395.510 4.064 20 0 GIADMO c1c(C[N@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)nnn1Cc1cccnc1 ZINC000183130544 822428485 /nfs/dbraw/zinc/42/84/85/822428485.db2.gz HVKAKNHPXISRIL-RUZDIDTESA-N 1 1 395.510 4.064 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000183142219 822430335 /nfs/dbraw/zinc/43/03/35/822430335.db2.gz IOVVCRHHCBESOV-JTTANEKDSA-N 1 1 386.561 4.155 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000183146116 822431004 /nfs/dbraw/zinc/43/10/04/822431004.db2.gz BZIWIGVYUYLPCL-CQSZACIVSA-N 1 1 377.423 4.221 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000454128093 822431893 /nfs/dbraw/zinc/43/18/93/822431893.db2.gz AXGXOCOWYLRMPT-QHCPKHFHSA-N 1 1 379.504 4.215 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000045997311 822432381 /nfs/dbraw/zinc/43/23/81/822432381.db2.gz WIOJLMIQUUGNJV-IBGZPJMESA-N 1 1 396.535 4.328 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000179062580 822434770 /nfs/dbraw/zinc/43/47/70/822434770.db2.gz WDAHUALWOPGTJH-LLVKDONJSA-N 1 1 387.286 4.430 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000179072965 822435552 /nfs/dbraw/zinc/43/55/52/822435552.db2.gz RCPKPLYOJZCAMF-WBVHZDCISA-N 1 1 380.960 4.419 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183179553 822436534 /nfs/dbraw/zinc/43/65/34/822436534.db2.gz RHWKSDOROWXCPV-UHFFFAOYSA-N 1 1 395.425 4.340 20 0 GIADMO C[C@@H](CNC(=O)c1occc1-c1ccc(F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000179096504 822437688 /nfs/dbraw/zinc/43/76/88/822437688.db2.gz MDGXICVRPWIVHQ-AWEZNQCLSA-N 1 1 384.476 4.324 20 0 GIADMO C[C@@H](CNC(=O)c1occc1-c1ccc(F)cc1)[N@H+]1CCc2sccc2C1 ZINC000179096504 822437689 /nfs/dbraw/zinc/43/76/89/822437689.db2.gz MDGXICVRPWIVHQ-AWEZNQCLSA-N 1 1 384.476 4.324 20 0 GIADMO CCCOc1ccc(C(F)(F)F)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000454222446 822440594 /nfs/dbraw/zinc/44/05/94/822440594.db2.gz NQXCCMDYUVUIJE-GOOCMWNKSA-N 1 1 385.430 4.241 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+](C)Cc2csc3ccccc23)cc1OC ZINC000046089680 822440668 /nfs/dbraw/zinc/44/06/68/822440668.db2.gz BALNQVXEYMQHCD-UHFFFAOYSA-N 1 1 398.528 4.009 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2csc3ccccc23)cc1OC ZINC000046089680 822440670 /nfs/dbraw/zinc/44/06/70/822440670.db2.gz BALNQVXEYMQHCD-UHFFFAOYSA-N 1 1 398.528 4.009 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@H+](C)Cc2csc3ccccc23)c1OC ZINC000046089597 822440683 /nfs/dbraw/zinc/44/06/83/822440683.db2.gz QWIXRPZWKKLRGB-UHFFFAOYSA-N 1 1 398.528 4.009 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@@H+](C)Cc2csc3ccccc23)c1OC ZINC000046089597 822440684 /nfs/dbraw/zinc/44/06/84/822440684.db2.gz QWIXRPZWKKLRGB-UHFFFAOYSA-N 1 1 398.528 4.009 20 0 GIADMO Cc1ccccc1[C@@H]([NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)C(C)C ZINC000183203221 822440799 /nfs/dbraw/zinc/44/07/99/822440799.db2.gz NYKXCULYHVMWQN-FQEVSTJZSA-N 1 1 396.560 4.316 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)cc2)C[C@@H](C)O1 ZINC000046098190 822440933 /nfs/dbraw/zinc/44/09/33/822440933.db2.gz KMLPXLLJJOKTDN-HZPDHXFCSA-N 1 1 396.487 4.055 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2ncco2)c1)c1ccccc1Cl ZINC000179150787 822444219 /nfs/dbraw/zinc/44/42/19/822444219.db2.gz SKYZHADWGWWCHL-GOSISDBHSA-N 1 1 384.867 4.419 20 0 GIADMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000179153681 822444868 /nfs/dbraw/zinc/44/48/68/822444868.db2.gz NDCKNQLLWMDPJF-QILLFSRXSA-N 1 1 386.565 4.246 20 0 GIADMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000179158129 822445446 /nfs/dbraw/zinc/44/54/46/822445446.db2.gz KRAQHHCGMIUZIM-NRXGSXMXSA-N 1 1 392.421 4.019 20 0 GIADMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000179158129 822445448 /nfs/dbraw/zinc/44/54/48/822445448.db2.gz KRAQHHCGMIUZIM-NRXGSXMXSA-N 1 1 392.421 4.019 20 0 GIADMO Cc1nc2ccccc2n1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046156320 822445516 /nfs/dbraw/zinc/44/55/16/822445516.db2.gz LBWICOPQCNHLGV-KRWDZBQOSA-N 1 1 376.504 4.215 20 0 GIADMO CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000179159945 822445602 /nfs/dbraw/zinc/44/56/02/822445602.db2.gz KAJHWHXOBSBJKL-QUCCMNQESA-N 1 1 388.508 4.074 20 0 GIADMO C[C@@H](NC[C@H](c1cccs1)[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179189083 822448825 /nfs/dbraw/zinc/44/88/25/822448825.db2.gz JYMSGAZJARQENX-VXGBXAGGSA-N 1 1 386.384 4.455 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)c3ccccc3F)CC[N@H+]2C2CC2)c1 ZINC000183261458 822450015 /nfs/dbraw/zinc/45/00/15/822450015.db2.gz VMNOMBZXZOMQLD-UJUVCNOISA-N 1 1 382.479 4.032 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)NCc2csc(-c3ccccc3)n2)[C@@H]1c1ccccc1 ZINC000179202065 822450338 /nfs/dbraw/zinc/45/03/38/822450338.db2.gz NXWXKBGRZVMGMP-UXHICEINSA-N 1 1 392.528 4.055 20 0 GIADMO CSCCCCCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000183278331 822452684 /nfs/dbraw/zinc/45/26/84/822452684.db2.gz GWBBGCFLKNNMHX-FUHWJXTLSA-N 1 1 383.627 4.354 20 0 GIADMO C[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000046243850 822454314 /nfs/dbraw/zinc/45/43/14/822454314.db2.gz QQLKLMQGEXGWML-JTQLQIEISA-N 1 1 387.307 4.371 20 0 GIADMO C[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000046243850 822454317 /nfs/dbraw/zinc/45/43/17/822454317.db2.gz QQLKLMQGEXGWML-JTQLQIEISA-N 1 1 387.307 4.371 20 0 GIADMO CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C)c2ncc(Br)s2)c1 ZINC000179231790 822454637 /nfs/dbraw/zinc/45/46/37/822454637.db2.gz FQDQDOLBMNRJFO-SMDDNHRTSA-N 1 1 385.327 4.077 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCc3cnc(C4CC4)o3)cc2)C1 ZINC000454329609 822458722 /nfs/dbraw/zinc/45/87/22/822458722.db2.gz SURLJCPVZQSDSP-CALCHBBNSA-N 1 1 396.535 4.029 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)NCCC[C@@H]1CCOC1)C1CCCCC1 ZINC000454359864 822461780 /nfs/dbraw/zinc/46/17/80/822461780.db2.gz ICWCDFTXMOYCKI-LJQANCHMSA-N 1 1 387.568 4.067 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)[N@H+]1CCCC[C@H]1C ZINC000046338723 822462756 /nfs/dbraw/zinc/46/27/56/822462756.db2.gz PEWWCPKNSUQMCF-SOLBZPMBSA-N 1 1 386.565 4.406 20 0 GIADMO Cc1ccc(OCCCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341481 822463300 /nfs/dbraw/zinc/46/33/00/822463300.db2.gz GIKOQWVKKSKMNT-BGYRXZFFSA-N 1 1 396.531 4.402 20 0 GIADMO Cc1ccc(OCCCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046341481 822463302 /nfs/dbraw/zinc/46/33/02/822463302.db2.gz GIKOQWVKKSKMNT-BGYRXZFFSA-N 1 1 396.531 4.402 20 0 GIADMO O[C@H](COCc1cccs1)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000046343380 822463520 /nfs/dbraw/zinc/46/35/20/822463520.db2.gz XWSMNVNLNPSZST-HOTGVXAUSA-N 1 1 388.558 4.115 20 0 GIADMO O=C(CCCC[C@@H]1CCSS1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046362555 822466190 /nfs/dbraw/zinc/46/61/90/822466190.db2.gz PJIPBWLLDGKSRD-LJQANCHMSA-N 1 1 378.607 4.265 20 0 GIADMO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000046368133 822466608 /nfs/dbraw/zinc/46/66/08/822466608.db2.gz YJCRGFJEYQQWGT-SJORKVTESA-N 1 1 375.538 4.173 20 0 GIADMO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](Cc3ccccc3)C3CC3)s2)cc1 ZINC000183394402 822467887 /nfs/dbraw/zinc/46/78/87/822467887.db2.gz PXDWKTGLZIFRST-IBGZPJMESA-N 1 1 392.528 4.210 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)CC1 ZINC000046404215 822470709 /nfs/dbraw/zinc/47/07/09/822470709.db2.gz AWJBNKPWNCIDPV-UHFFFAOYSA-N 1 1 379.838 4.012 20 0 GIADMO CC(C)CCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000183412656 822470705 /nfs/dbraw/zinc/47/07/05/822470705.db2.gz RBKBVKSQTALFJT-QHCPKHFHSA-N 1 1 396.531 4.248 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)C[C@H](C)O1 ZINC000046419109 822471859 /nfs/dbraw/zinc/47/18/59/822471859.db2.gz CHZJRXVHHUUUKV-KBPBESRZSA-N 1 1 376.859 4.341 20 0 GIADMO COCc1ccccc1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183422130 822472145 /nfs/dbraw/zinc/47/21/45/822472145.db2.gz QWYIIMPNEWMNFR-UHFFFAOYSA-N 1 1 377.275 4.010 20 0 GIADMO COCc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000183426771 822473313 /nfs/dbraw/zinc/47/33/13/822473313.db2.gz LDIRDGUQLFZOMR-UHFFFAOYSA-N 1 1 377.275 4.010 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccccc3N3CCc4ccccc43)C2)C1 ZINC000454424214 822473363 /nfs/dbraw/zinc/47/33/63/822473363.db2.gz HIJBDQIJZAJHNM-XMMPIXPASA-N 1 1 390.531 4.330 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)[C@@H]3CCc4ccccc43)cc2)C[C@@H](C)O1 ZINC000046456286 822474522 /nfs/dbraw/zinc/47/45/22/822474522.db2.gz FAINKVWNWHXYIB-PMAPCBKXSA-N 1 1 378.516 4.055 20 0 GIADMO CC(C)c1ccccc1NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390973 822475769 /nfs/dbraw/zinc/47/57/69/822475769.db2.gz JMTQNHIBNQLWBJ-UHFFFAOYSA-N 1 1 394.563 4.382 20 0 GIADMO CC(=O)N(c1nc(CN2CCC[N@H+](C3CCCC3)CC2)cs1)c1ccccc1 ZINC000179393832 822476395 /nfs/dbraw/zinc/47/63/95/822476395.db2.gz DFXQQJVJTAEGBB-UHFFFAOYSA-N 1 1 398.576 4.278 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(N(C)C)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183475425 822481322 /nfs/dbraw/zinc/48/13/22/822481322.db2.gz ZDDJHTVALQQIRT-CABCVRRESA-N 1 1 378.948 4.181 20 0 GIADMO Cc1cc2ncc([C@H](C)[NH2+]Cc3cc(Cl)ccc3OC(F)F)c(C)n2n1 ZINC000179440122 822483136 /nfs/dbraw/zinc/48/31/36/822483136.db2.gz HQGODRDRYXJGNO-NSHDSACASA-N 1 1 380.826 4.452 20 0 GIADMO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC(F)F ZINC000183483653 822483266 /nfs/dbraw/zinc/48/32/66/822483266.db2.gz QDGIWSRDOIHOMZ-GJZGRUSLSA-N 1 1 381.467 4.371 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC000454490995 822483933 /nfs/dbraw/zinc/48/39/33/822483933.db2.gz MPPKFTRMTGRNCO-SFHVURJKSA-N 1 1 394.519 4.021 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1)C(=O)OC(C)(C)C ZINC000179449465 822484742 /nfs/dbraw/zinc/48/47/42/822484742.db2.gz WPVJBCCSPLOUSE-HNNXBMFYSA-N 1 1 379.570 4.490 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CCOC(C)(C)C2)c1 ZINC000454496803 822484931 /nfs/dbraw/zinc/48/49/31/822484931.db2.gz CFXKYEVRTQFFAV-SFHVURJKSA-N 1 1 384.524 4.382 20 0 GIADMO CCCn1ccc2cc(NC(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)ccc21 ZINC000179465714 822486841 /nfs/dbraw/zinc/48/68/41/822486841.db2.gz WHRYVWVVCRKCIO-QHCPKHFHSA-N 1 1 391.515 4.188 20 0 GIADMO CCCc1ncc(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)o1 ZINC000454507490 822486905 /nfs/dbraw/zinc/48/69/05/822486905.db2.gz LJCZHUKKNHGRRR-UHFFFAOYSA-N 1 1 381.480 4.317 20 0 GIADMO CCc1nnc(-c2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2)o1 ZINC000183503757 822487219 /nfs/dbraw/zinc/48/72/19/822487219.db2.gz ISIDSHAXBJJHBB-NVXWUHKLSA-N 1 1 397.523 4.074 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C2CC2)n1 ZINC000183523243 822489584 /nfs/dbraw/zinc/48/95/84/822489584.db2.gz BSORHDWEDAURHM-FZKQIMNGSA-N 1 1 377.941 4.365 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCCCC3)cc2)C2CC2)n1 ZINC000183534870 822491509 /nfs/dbraw/zinc/49/15/09/822491509.db2.gz SSVDQKNWIFUUIR-HXUWFJFHSA-N 1 1 384.549 4.121 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183538085 822492002 /nfs/dbraw/zinc/49/20/02/822492002.db2.gz HDXPLQUGIGYERO-PZJWPPBQSA-N 1 1 399.560 4.255 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)s1 ZINC000179503186 822492505 /nfs/dbraw/zinc/49/25/05/822492505.db2.gz BBPNLEWSOZDSPS-RDDDGLTNSA-N 1 1 379.682 4.082 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C2CC2)n1 ZINC000183544233 822492684 /nfs/dbraw/zinc/49/26/84/822492684.db2.gz WROXKAWJGVDQRI-SJORKVTESA-N 1 1 377.579 4.457 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C2CC2)n1 ZINC000183553449 822494199 /nfs/dbraw/zinc/49/41/99/822494199.db2.gz AWBAVPJUTFZZAK-LJQANCHMSA-N 1 1 399.516 4.172 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)CC[N@H+]1Cc1ccccc1 ZINC000179521416 822496398 /nfs/dbraw/zinc/49/63/98/822496398.db2.gz RUGDVKHZOFAPDF-VGOFRKELSA-N 1 1 391.490 4.499 20 0 GIADMO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(F)cc1OC(F)F ZINC000179522920 822496531 /nfs/dbraw/zinc/49/65/31/822496531.db2.gz HVAHDIKWHKZTNM-JTQLQIEISA-N 1 1 376.325 4.317 20 0 GIADMO Cc1cc(Sc2ccccc2)ccc1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000454569896 822498411 /nfs/dbraw/zinc/49/84/11/822498411.db2.gz DOMWHGPHABRNMD-SFHVURJKSA-N 1 1 399.560 4.115 20 0 GIADMO C[C@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(-n2cccn2)c1 ZINC000183597483 822499110 /nfs/dbraw/zinc/49/91/10/822499110.db2.gz QAOMIOYYRLYAIL-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179550344 822501739 /nfs/dbraw/zinc/50/17/39/822501739.db2.gz FXJMZHWVQVDYNB-NRFANRHFSA-N 1 1 393.531 4.010 20 0 GIADMO CSCC1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000454594252 822502915 /nfs/dbraw/zinc/50/29/15/822502915.db2.gz LWAOWBGVZHUSEE-WYNBGMTASA-N 1 1 389.609 4.261 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(F)cc1Cl ZINC000179561650 822503902 /nfs/dbraw/zinc/50/39/02/822503902.db2.gz KDPLUKNVXXLFMZ-LLVKDONJSA-N 1 1 392.780 4.314 20 0 GIADMO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000454609611 822505577 /nfs/dbraw/zinc/50/55/77/822505577.db2.gz VNOGLFZROSVSPD-ZAWLATJESA-N 1 1 397.485 4.412 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000179573465 822505680 /nfs/dbraw/zinc/50/56/80/822505680.db2.gz WZGUZCOTOGDMSY-XOBRGWDASA-N 1 1 392.507 4.128 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000454615411 822506702 /nfs/dbraw/zinc/50/67/02/822506702.db2.gz ZVDMBIREOPCXNY-QRQLOZEOSA-N 1 1 379.495 4.164 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H](CCO)C(C)(C)C)cs1)c1cccc(C)c1C ZINC000183658295 822507052 /nfs/dbraw/zinc/50/70/52/822507052.db2.gz KUNHMLSLGZAWNF-LJQANCHMSA-N 1 1 389.565 4.331 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2cccc3cccnc32)C1 ZINC000046714773 822508784 /nfs/dbraw/zinc/50/87/84/822508784.db2.gz XGKYJUJWNOBRQX-LJQANCHMSA-N 1 1 387.527 4.326 20 0 GIADMO CC(C)Oc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000046736845 822511437 /nfs/dbraw/zinc/51/14/37/822511437.db2.gz PLSWFIVSSYCHHY-KDURUIRLSA-N 1 1 396.531 4.013 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1N[C@H]1CCSC1)CC2 ZINC000179616952 822513546 /nfs/dbraw/zinc/51/35/46/822513546.db2.gz UPIONAMODAJVII-IBGZPJMESA-N 1 1 384.545 4.180 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000046766578 822515077 /nfs/dbraw/zinc/51/50/77/822515077.db2.gz NCMKFEHGZCIATM-OAHLLOKOSA-N 1 1 385.489 4.262 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000179627137 822515433 /nfs/dbraw/zinc/51/54/33/822515433.db2.gz BGWNSLSSATUFPY-UHFFFAOYSA-N 1 1 392.503 4.244 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000179627137 822515437 /nfs/dbraw/zinc/51/54/37/822515437.db2.gz BGWNSLSSATUFPY-UHFFFAOYSA-N 1 1 392.503 4.244 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000046776722 822516026 /nfs/dbraw/zinc/51/60/26/822516026.db2.gz NFXKXBZCISPXMK-CQSZACIVSA-N 1 1 392.446 4.318 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000046776722 822516028 /nfs/dbraw/zinc/51/60/28/822516028.db2.gz NFXKXBZCISPXMK-CQSZACIVSA-N 1 1 392.446 4.318 20 0 GIADMO Cc1csc2nc(C[NH2+][C@H](C)c3sc(-c4ccccc4)nc3C)cc(=O)n12 ZINC000183717617 822516122 /nfs/dbraw/zinc/51/61/22/822516122.db2.gz QHNCLPFREAZPQO-CYBMUJFWSA-N 1 1 396.541 4.347 20 0 GIADMO CCOc1ccc(OCC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000046780554 822516608 /nfs/dbraw/zinc/51/66/08/822516608.db2.gz OEVOKLDDHATZQP-IBGZPJMESA-N 1 1 396.531 4.012 20 0 GIADMO CCOCc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454683792 822516699 /nfs/dbraw/zinc/51/66/99/822516699.db2.gz ZNJAKPIPKBEYNC-LJQANCHMSA-N 1 1 381.520 4.209 20 0 GIADMO C[N@H+](Cc1ccncc1)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000183736406 822519049 /nfs/dbraw/zinc/51/90/49/822519049.db2.gz LUNOHUMGYKBMIJ-UHFFFAOYSA-N 1 1 398.304 4.450 20 0 GIADMO C[N@@H+](Cc1ccncc1)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000183736406 822519052 /nfs/dbraw/zinc/51/90/52/822519052.db2.gz LUNOHUMGYKBMIJ-UHFFFAOYSA-N 1 1 398.304 4.450 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1CC(F)(F)F ZINC000179652960 822520518 /nfs/dbraw/zinc/52/05/18/822520518.db2.gz CTLJIULMZLCVOC-OAHLLOKOSA-N 1 1 379.426 4.433 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000046815402 822520533 /nfs/dbraw/zinc/52/05/33/822520533.db2.gz QBFZIEQZTMXGJQ-UHFFFAOYSA-N 1 1 391.540 4.467 20 0 GIADMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)c1C ZINC000179654821 822521280 /nfs/dbraw/zinc/52/12/80/822521280.db2.gz RKDDNHURLFVGDQ-UHFFFAOYSA-N 1 1 389.499 4.348 20 0 GIADMO Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)c1C ZINC000179654821 822521281 /nfs/dbraw/zinc/52/12/81/822521281.db2.gz RKDDNHURLFVGDQ-UHFFFAOYSA-N 1 1 389.499 4.348 20 0 GIADMO COc1ccc([C@H](CNC(=O)c2scnc2C2CCCC2)[NH+]2CCCC2)cc1 ZINC000183749535 822521981 /nfs/dbraw/zinc/52/19/81/822521981.db2.gz IHMPXOGGEXTKHP-IBGZPJMESA-N 1 1 399.560 4.376 20 0 GIADMO CCCOc1c(Br)cc(C[N@@H+](C)CCc2ccncc2)cc1OC ZINC000183757232 822523251 /nfs/dbraw/zinc/52/32/51/822523251.db2.gz LVGRYTJUVCOZPI-UHFFFAOYSA-N 1 1 393.325 4.316 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(F)cc3C)CC[N@H+]2C2CC2)c1 ZINC000183767763 822525428 /nfs/dbraw/zinc/52/54/28/822525428.db2.gz LINJMFAOGZWHBG-NHCUHLMSSA-N 1 1 383.467 4.242 20 0 GIADMO CCN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183767697 822525438 /nfs/dbraw/zinc/52/54/38/822525438.db2.gz KKTWDSJNODJEFK-DEOSSOPVSA-N 1 1 391.559 4.019 20 0 GIADMO CC[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183767697 822525440 /nfs/dbraw/zinc/52/54/40/822525440.db2.gz KKTWDSJNODJEFK-DEOSSOPVSA-N 1 1 391.559 4.019 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183767697 822525443 /nfs/dbraw/zinc/52/54/43/822525443.db2.gz KKTWDSJNODJEFK-DEOSSOPVSA-N 1 1 391.559 4.019 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1cccc(OCc2ccccn2)c1 ZINC000179685979 822526996 /nfs/dbraw/zinc/52/69/96/822526996.db2.gz ATXXABIORGBROW-SFHVURJKSA-N 1 1 399.498 4.307 20 0 GIADMO Cc1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c(Sc2ccccc2)c1 ZINC000183784653 822527871 /nfs/dbraw/zinc/52/78/71/822527871.db2.gz LMHJUAODVIVGCX-UHFFFAOYSA-N 1 1 398.572 4.065 20 0 GIADMO COC(=O)c1sccc1C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179689416 822527992 /nfs/dbraw/zinc/52/79/92/822527992.db2.gz QGMFQFSFSOZLDL-HNNXBMFYSA-N 1 1 382.485 4.360 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)c2ccccc2)nc1 ZINC000183794750 822528829 /nfs/dbraw/zinc/52/88/29/822528829.db2.gz RTMPWFYUBNQSMR-LJQANCHMSA-N 1 1 391.368 4.393 20 0 GIADMO Cc1cc2c(cc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000183799195 822529498 /nfs/dbraw/zinc/52/94/98/822529498.db2.gz WCPIFJMFOYCROI-IEBWSBKVSA-N 1 1 395.503 4.241 20 0 GIADMO CC(C)(C)[S@](=O)CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183818407 822531280 /nfs/dbraw/zinc/53/12/80/822531280.db2.gz DXKQFYMAOMAXLE-KSFYIVLOSA-N 1 1 384.339 4.268 20 0 GIADMO CC(C)(C)[S@](=O)CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183818440 822531361 /nfs/dbraw/zinc/53/13/61/822531361.db2.gz DXKQFYMAOMAXLE-OPAMFIHVSA-N 1 1 384.339 4.268 20 0 GIADMO COc1cc(OC)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000046934518 822532543 /nfs/dbraw/zinc/53/25/43/822532543.db2.gz PXKHPFNZPLWXAN-MRXNPFEDSA-N 1 1 398.503 4.197 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183825461 822532812 /nfs/dbraw/zinc/53/28/12/822532812.db2.gz LEXULFPHCJIAPR-ICSRJNTNSA-N 1 1 394.515 4.156 20 0 GIADMO CCC(CC)n1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000179713263 822533066 /nfs/dbraw/zinc/53/30/66/822533066.db2.gz DPOJJSXLTIABLZ-YLJYHZDGSA-N 1 1 382.552 4.336 20 0 GIADMO CC(C)C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(Cl)cc1 ZINC000179720807 822534953 /nfs/dbraw/zinc/53/49/53/822534953.db2.gz WSDMTCJGVNPVOX-QGZVFWFLSA-N 1 1 379.957 4.304 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000046989764 822536089 /nfs/dbraw/zinc/53/60/89/822536089.db2.gz PGKJQVSMVAWMQG-INIZCTEOSA-N 1 1 393.597 4.426 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1oc2ccccc2c1COc1ccccc1 ZINC000046993980 822536299 /nfs/dbraw/zinc/53/62/99/822536299.db2.gz GDCRZMBHLQKBFP-LEWJYISDSA-N 1 1 390.483 4.368 20 0 GIADMO Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454812217 822539085 /nfs/dbraw/zinc/53/90/85/822539085.db2.gz TVYADJQAQCORDV-UHFFFAOYSA-N 1 1 397.567 4.474 20 0 GIADMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](C4(C)OCCO4)C3)c2cc1C(C)C ZINC000183879697 822539658 /nfs/dbraw/zinc/53/96/58/822539658.db2.gz NWBWLAYEWYTXMQ-GOSISDBHSA-N 1 1 385.504 4.200 20 0 GIADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000454850660 822545468 /nfs/dbraw/zinc/54/54/68/822545468.db2.gz BEOFFJSLXYXDFL-JOCHJYFZSA-N 1 1 381.520 4.351 20 0 GIADMO C[N@H+](Cc1ccc(-c2ccncc2)cc1F)Cc1ccccc1N1CCOCC1 ZINC000179761488 822545793 /nfs/dbraw/zinc/54/57/93/822545793.db2.gz HEDZSYHCGNBNEV-UHFFFAOYSA-N 1 1 391.490 4.356 20 0 GIADMO C[N@@H+](Cc1ccc(-c2ccncc2)cc1F)Cc1ccccc1N1CCOCC1 ZINC000179761488 822545794 /nfs/dbraw/zinc/54/57/94/822545794.db2.gz HEDZSYHCGNBNEV-UHFFFAOYSA-N 1 1 391.490 4.356 20 0 GIADMO Cc1ccc(F)c(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000047127738 822546265 /nfs/dbraw/zinc/54/62/65/822546265.db2.gz KZPSGMDVOWAEPW-IAGOWNOFSA-N 1 1 385.483 4.065 20 0 GIADMO Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000047127823 822546313 /nfs/dbraw/zinc/54/63/13/822546313.db2.gz OPRZIPAYILURTQ-ROUUACIJSA-N 1 1 381.520 4.234 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179763483 822546695 /nfs/dbraw/zinc/54/66/95/822546695.db2.gz HMLQERKVIBXGFY-AWEZNQCLSA-N 1 1 396.441 4.350 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000183920992 822546767 /nfs/dbraw/zinc/54/67/67/822546767.db2.gz AIYBOLWEGLMLON-GFCCVEGCSA-N 1 1 396.354 4.374 20 0 GIADMO FC(F)c1ccc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000183924832 822548026 /nfs/dbraw/zinc/54/80/26/822548026.db2.gz BXHXBXBEIPAWSP-UHFFFAOYSA-N 1 1 390.459 4.054 20 0 GIADMO Cc1ccnc(Oc2cc(NC(=O)NCCCC[N@H+](C)C3CC3)ccc2C)c1 ZINC000454868034 822548655 /nfs/dbraw/zinc/54/86/55/822548655.db2.gz JUTFKLVLCCYSHM-UHFFFAOYSA-N 1 1 382.508 4.487 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c2C1 ZINC000179769219 822548955 /nfs/dbraw/zinc/54/89/55/822548955.db2.gz QCYTUQRSTKMLOJ-UHFFFAOYSA-N 1 1 395.528 4.345 20 0 GIADMO CC[C@H]1CN(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000183932781 822549587 /nfs/dbraw/zinc/54/95/87/822549587.db2.gz LQHUOJSYZODEFZ-NRFANRHFSA-N 1 1 394.519 4.082 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)cc1 ZINC000183933701 822549908 /nfs/dbraw/zinc/54/99/08/822549908.db2.gz LUUXHFNCZBLNOI-OAQYLSRUSA-N 1 1 394.519 4.163 20 0 GIADMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000183941147 822551006 /nfs/dbraw/zinc/55/10/06/822551006.db2.gz YDUKIWGMJFSWLN-UHFFFAOYSA-N 1 1 396.535 4.017 20 0 GIADMO C[C@@H](C[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1nccs1 ZINC000183946881 822552048 /nfs/dbraw/zinc/55/20/48/822552048.db2.gz XAYIVVWIGJYNTI-NSHDSACASA-N 1 1 382.411 4.447 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1nccs1 ZINC000183946881 822552051 /nfs/dbraw/zinc/55/20/51/822552051.db2.gz XAYIVVWIGJYNTI-NSHDSACASA-N 1 1 382.411 4.447 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000047187665 822552227 /nfs/dbraw/zinc/55/22/27/822552227.db2.gz YEVFJLUECSTPQP-LJQANCHMSA-N 1 1 393.531 4.323 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000047187718 822552474 /nfs/dbraw/zinc/55/24/74/822552474.db2.gz DADSPQWKEYEICG-KRWDZBQOSA-N 1 1 389.540 4.418 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000047187680 822552537 /nfs/dbraw/zinc/55/25/37/822552537.db2.gz BGHWLWIOHGEROY-KRWDZBQOSA-N 1 1 388.483 4.382 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000183952320 822553023 /nfs/dbraw/zinc/55/30/23/822553023.db2.gz UQAOPCHSVNWRMY-LLVKDONJSA-N 1 1 387.427 4.202 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1cc(F)ccc1F ZINC000179787620 822553212 /nfs/dbraw/zinc/55/32/12/822553212.db2.gz DVCICBZLEGIEEO-HXUWFJFHSA-N 1 1 398.457 4.447 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1nccs1 ZINC000183982750 822557783 /nfs/dbraw/zinc/55/77/83/822557783.db2.gz JPDBYKNMQLYJCV-NEPJUHHUSA-N 1 1 386.348 4.363 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1nccs1 ZINC000183982750 822557785 /nfs/dbraw/zinc/55/77/85/822557785.db2.gz JPDBYKNMQLYJCV-NEPJUHHUSA-N 1 1 386.348 4.363 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183983385 822557828 /nfs/dbraw/zinc/55/78/28/822557828.db2.gz LZLQVIXDDKLRHV-PBHICJAKSA-N 1 1 397.548 4.008 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183983385 822557830 /nfs/dbraw/zinc/55/78/30/822557830.db2.gz LZLQVIXDDKLRHV-PBHICJAKSA-N 1 1 397.548 4.008 20 0 GIADMO C[C@@H](C[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1)c1nccs1 ZINC000183983937 822558073 /nfs/dbraw/zinc/55/80/73/822558073.db2.gz LDNXMPFZWDXSII-NSHDSACASA-N 1 1 393.310 4.191 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1)c1nccs1 ZINC000183983937 822558076 /nfs/dbraw/zinc/55/80/76/822558076.db2.gz LDNXMPFZWDXSII-NSHDSACASA-N 1 1 393.310 4.191 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)c(Br)c1OC ZINC000183986035 822558217 /nfs/dbraw/zinc/55/82/17/822558217.db2.gz FKGHVXYKZIENGL-NSHDSACASA-N 1 1 385.327 4.158 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Cl)c(Br)c3)C2)C1 ZINC000454940523 822560461 /nfs/dbraw/zinc/56/04/61/822560461.db2.gz IILLNDJHVINYPE-MRXNPFEDSA-N 1 1 386.721 4.052 20 0 GIADMO COc1cc(Br)c(C[N@@H+](C)C[C@H](C)c2nccs2)cc1OC ZINC000184002632 822561854 /nfs/dbraw/zinc/56/18/54/822561854.db2.gz QOSIFFSQQGWFAB-NSHDSACASA-N 1 1 385.327 4.158 20 0 GIADMO Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cnn1C(C)(C)C ZINC000047295332 822563288 /nfs/dbraw/zinc/56/32/88/822563288.db2.gz CWOMTCJXAOBUKG-IBGZPJMESA-N 1 1 388.943 4.167 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[N@H+](C)C[C@@H](C)c3nccs3)cs2)c1 ZINC000184010730 822563349 /nfs/dbraw/zinc/56/33/49/822563349.db2.gz USVYLSOHRWTLRC-CYBMUJFWSA-N 1 1 387.530 4.289 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[N@@H+](C)C[C@@H](C)c3nccs3)cs2)c1 ZINC000184010730 822563350 /nfs/dbraw/zinc/56/33/50/822563350.db2.gz USVYLSOHRWTLRC-CYBMUJFWSA-N 1 1 387.530 4.289 20 0 GIADMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000047305205 822563888 /nfs/dbraw/zinc/56/38/88/822563888.db2.gz HSMJPKRJOGSEJV-SFHVURJKSA-N 1 1 391.515 4.013 20 0 GIADMO C[C@H](C(=O)N(Cc1cccc2ccccc21)c1ccccc1)N1CC[NH+](C)CC1 ZINC000184048189 822570410 /nfs/dbraw/zinc/57/04/10/822570410.db2.gz YYGIEWSSZKZIJZ-HXUWFJFHSA-N 1 1 387.527 4.009 20 0 GIADMO COc1ccc(C(=O)C2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)cc1 ZINC000179881266 822570943 /nfs/dbraw/zinc/57/09/43/822570943.db2.gz HXSUXKGUFYBOCD-UHFFFAOYSA-N 1 1 393.462 4.319 20 0 GIADMO Cc1nc([C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)no1 ZINC000179895570 822572978 /nfs/dbraw/zinc/57/29/78/822572978.db2.gz JVSNBJZTSMJVJU-SFTDATJTSA-N 1 1 396.922 4.375 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ncccc1C(F)(F)F ZINC000179910386 822575194 /nfs/dbraw/zinc/57/51/94/822575194.db2.gz SFUILENSGQXIAX-HNNXBMFYSA-N 1 1 391.437 4.405 20 0 GIADMO Cc1nc([C@H](C)[N@H+]2CCOCC3(CCOCC3)C2)oc1-c1ccc(Cl)cc1 ZINC000184096890 822577332 /nfs/dbraw/zinc/57/73/32/822577332.db2.gz LDXOHWVLDDKPFY-INIZCTEOSA-N 1 1 390.911 4.493 20 0 GIADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000184106904 822578974 /nfs/dbraw/zinc/57/89/74/822578974.db2.gz BXOCXSBXQHLDBV-MAUKXSAKSA-N 1 1 388.895 4.095 20 0 GIADMO Cc1c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cccc1N(C)C ZINC000455063935 822583058 /nfs/dbraw/zinc/58/30/58/822583058.db2.gz AAIACHFUMWVENM-GOSISDBHSA-N 1 1 380.536 4.047 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000179948602 822583759 /nfs/dbraw/zinc/58/37/59/822583759.db2.gz DIDTXJXISFIWJC-GFCCVEGCSA-N 1 1 395.272 4.195 20 0 GIADMO CN(c1ccccc1CNCc1cc(Cl)cc2c1OCC2)C1CC[NH+](C)CC1 ZINC000184137732 822584539 /nfs/dbraw/zinc/58/45/39/822584539.db2.gz AZIWQTSLMHKHBR-UHFFFAOYSA-N 1 1 399.966 4.095 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179953199 822584811 /nfs/dbraw/zinc/58/48/11/822584811.db2.gz RNGHFPRENZBFKJ-LBPRGKRZSA-N 1 1 380.847 4.094 20 0 GIADMO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Br)n1 ZINC000184142613 822585005 /nfs/dbraw/zinc/58/50/05/822585005.db2.gz WFPVXZFERRIEFG-NWDGAFQWSA-N 1 1 382.327 4.200 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000047522366 822586837 /nfs/dbraw/zinc/58/68/37/822586837.db2.gz YKIFLJLVOHRADB-SFHVURJKSA-N 1 1 391.515 4.440 20 0 GIADMO CC(C)(C)OC(=O)NC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000047539954 822588398 /nfs/dbraw/zinc/58/83/98/822588398.db2.gz CLSNKKDZFFPFAR-UHFFFAOYSA-N 1 1 389.323 4.361 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)cc(OC)c1OC ZINC000179979546 822589511 /nfs/dbraw/zinc/58/95/11/822589511.db2.gz JCPQYDAZUVELHZ-GFCCVEGCSA-N 1 1 389.883 4.103 20 0 GIADMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)Nc1ccccc1Br ZINC000179984256 822590765 /nfs/dbraw/zinc/59/07/65/822590765.db2.gz IDRVVWLDQYDDJM-UHFFFAOYSA-N 1 1 395.247 4.335 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000179989681 822591775 /nfs/dbraw/zinc/59/17/75/822591775.db2.gz AFSNSSIUAGUVQY-UHFFFAOYSA-N 1 1 383.471 4.116 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000184186537 822592777 /nfs/dbraw/zinc/59/27/77/822592777.db2.gz WFVZDAYKGICQJN-UHFFFAOYSA-N 1 1 388.842 4.208 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000184186537 822592779 /nfs/dbraw/zinc/59/27/79/822592779.db2.gz WFVZDAYKGICQJN-UHFFFAOYSA-N 1 1 388.842 4.208 20 0 GIADMO CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184187278 822592795 /nfs/dbraw/zinc/59/27/95/822592795.db2.gz OVHRPWGCUNUINP-INIZCTEOSA-N 1 1 378.303 4.125 20 0 GIADMO Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000455126199 822592937 /nfs/dbraw/zinc/59/29/37/822592937.db2.gz MYXAWWJVMNZVMK-OAHLLOKOSA-N 1 1 384.549 4.457 20 0 GIADMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(-c4ccc(F)cc4)n3)ccc2NC1=O ZINC000180010393 822595718 /nfs/dbraw/zinc/59/57/18/822595718.db2.gz WYRBAMOMQOBHDZ-DJJJIMSYSA-N 1 1 395.434 4.441 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](CCC(C)C)c2ccc(Cl)cc2)cs1 ZINC000180026590 822599803 /nfs/dbraw/zinc/59/98/03/822599803.db2.gz ASNSCBYTJHUHKM-QGZVFWFLSA-N 1 1 379.957 4.352 20 0 GIADMO Brc1cccc(C[N@@H+](Cc2c[nH]nc2-c2cccnc2)C2CC2)c1 ZINC000180032147 822601274 /nfs/dbraw/zinc/60/12/74/822601274.db2.gz RIWWWLKEXRCIIQ-UHFFFAOYSA-N 1 1 383.293 4.399 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc4c(cccc4F)n3CC)ccc2NC1=O ZINC000180034066 822601639 /nfs/dbraw/zinc/60/16/39/822601639.db2.gz VTHIRRNZFRTYJB-FZKQIMNGSA-N 1 1 396.466 4.156 20 0 GIADMO Cc1ncsc1C[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180038788 822602410 /nfs/dbraw/zinc/60/24/10/822602410.db2.gz QIPTURYZWUKGQN-UHFFFAOYSA-N 1 1 377.254 4.447 20 0 GIADMO Cc1ncsc1C[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180038788 822602413 /nfs/dbraw/zinc/60/24/13/822602413.db2.gz QIPTURYZWUKGQN-UHFFFAOYSA-N 1 1 377.254 4.447 20 0 GIADMO O=C(Cc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715445 822603095 /nfs/dbraw/zinc/60/30/95/822603095.db2.gz YSQDGTUPILHDLH-UHFFFAOYSA-N 1 1 394.465 4.441 20 0 GIADMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000184283638 822608531 /nfs/dbraw/zinc/60/85/31/822608531.db2.gz IWCKEUMNCXHGFM-UHFFFAOYSA-N 1 1 392.425 4.149 20 0 GIADMO CCOc1cccc2cc([C@@H](C)NC(=O)NC[C@H](c3ccco3)[NH+](C)C)oc21 ZINC000047792284 822609465 /nfs/dbraw/zinc/60/94/65/822609465.db2.gz MCBXVXNLMMJAAS-GDBMZVCRSA-N 1 1 385.464 4.088 20 0 GIADMO CC(C)NC(=O)CC[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000180074985 822610319 /nfs/dbraw/zinc/61/03/19/822610319.db2.gz FTMQILXHSZRFEK-LJQANCHMSA-N 1 1 375.310 4.043 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)C2)C1 ZINC000455219780 822611085 /nfs/dbraw/zinc/61/10/85/822611085.db2.gz ZHZJQCYQTFDJAG-RDJZCZTQSA-N 1 1 389.849 4.071 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C(F)(F)F)C2)C1 ZINC000455219782 822611124 /nfs/dbraw/zinc/61/11/24/822611124.db2.gz ZHZJQCYQTFDJAG-WBVHZDCISA-N 1 1 389.849 4.071 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cccnc3-c3ccc(Cl)s3)C2)C1 ZINC000455230565 822613381 /nfs/dbraw/zinc/61/33/81/822613381.db2.gz QJGHUGFJBOALOW-SFHVURJKSA-N 1 1 376.913 4.023 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2occc2COc2ccccc2)[C@@H]1c1ccccc1 ZINC000180095251 822614249 /nfs/dbraw/zinc/61/42/49/822614249.db2.gz JAVIKPBHBIFRRT-SFTDATJTSA-N 1 1 376.456 4.034 20 0 GIADMO Cc1cccc(-c2nc(CC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cs2)c1 ZINC000180099579 822615343 /nfs/dbraw/zinc/61/53/43/822615343.db2.gz OSKBEDODJTUXAU-IFMALSPDSA-N 1 1 391.540 4.223 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(Cl)c3Br)C2)C1 ZINC000455247898 822617134 /nfs/dbraw/zinc/61/71/34/822617134.db2.gz GKGITJULYGIWQE-INIZCTEOSA-N 1 1 386.721 4.052 20 0 GIADMO O=C(Nc1cccc(OC(F)F)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000047908022 822618714 /nfs/dbraw/zinc/61/87/14/822618714.db2.gz CRWPVAUMFBNIBJ-UHFFFAOYSA-N 1 1 375.419 4.028 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1cc(C)sc1C)[NH+](C)C ZINC000047914555 822619073 /nfs/dbraw/zinc/61/90/73/822619073.db2.gz LWILHIILVIATDS-RDTXWAMCSA-N 1 1 375.538 4.037 20 0 GIADMO CC[C@H](C)n1ncc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000455262476 822620616 /nfs/dbraw/zinc/62/06/16/822620616.db2.gz MQTLXTOICZLAAX-ROUUACIJSA-N 1 1 383.540 4.148 20 0 GIADMO Fc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c2c(c1)COCO2 ZINC000180134605 822623169 /nfs/dbraw/zinc/62/31/69/822623169.db2.gz GSWCFINABHRNKJ-NOTZXAQLSA-N 1 1 396.506 4.020 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2Cl)[C@@H]1c1ccccc1 ZINC000180142572 822625099 /nfs/dbraw/zinc/62/50/99/822625099.db2.gz TURIZQLIBFPQMO-IRXDYDNUSA-N 1 1 393.712 4.278 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184380062 822625144 /nfs/dbraw/zinc/62/51/44/822625144.db2.gz CSEGUTGUAXWROX-ZDUSSCGKSA-N 1 1 393.944 4.197 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2cc(Br)cs2)c2cccc(F)c2)cn1 ZINC000180150412 822627473 /nfs/dbraw/zinc/62/74/73/822627473.db2.gz YPNNNUQLXVAFHJ-MRXNPFEDSA-N 1 1 380.286 4.262 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2ncccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000180154581 822628376 /nfs/dbraw/zinc/62/83/76/822628376.db2.gz UQJXHLYSCHZFLM-NVXWUHKLSA-N 1 1 391.437 4.226 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)o2)cc1 ZINC000180154799 822628426 /nfs/dbraw/zinc/62/84/26/822628426.db2.gz BAZHVTLYSDVZQL-HYBUGGRVSA-N 1 1 389.499 4.144 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(OC(F)F)cc1 ZINC000048063991 822628658 /nfs/dbraw/zinc/62/86/58/822628658.db2.gz URTQDHTXBCVUIS-UHFFFAOYSA-N 1 1 391.462 4.128 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000048072487 822629226 /nfs/dbraw/zinc/62/92/26/822629226.db2.gz PLAFLDATECQYCF-SFHVURJKSA-N 1 1 395.528 4.202 20 0 GIADMO Cc1csc(-c2cccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2)n1 ZINC000180166332 822630879 /nfs/dbraw/zinc/63/08/79/822630879.db2.gz CMXLPBPGKWXWJA-WOJBJXKFSA-N 1 1 377.513 4.294 20 0 GIADMO O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000184438126 822634996 /nfs/dbraw/zinc/63/49/96/822634996.db2.gz CKIJJIBAPXLISU-PXNSSMCTSA-N 1 1 396.560 4.215 20 0 GIADMO C[C@H](CN1CCCC1=O)[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000180203525 822639038 /nfs/dbraw/zinc/63/90/38/822639038.db2.gz TWZKBRBWTMWGMK-FOIQADDNSA-N 1 1 387.321 4.139 20 0 GIADMO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180207881 822639536 /nfs/dbraw/zinc/63/95/36/822639536.db2.gz ZDENFNMJPLLZNS-WOJBJXKFSA-N 1 1 399.922 4.110 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000180215276 822640938 /nfs/dbraw/zinc/64/09/38/822640938.db2.gz DBAUYFPRRXMWDX-OAHLLOKOSA-N 1 1 376.342 4.161 20 0 GIADMO COC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000180234144 822645197 /nfs/dbraw/zinc/64/51/97/822645197.db2.gz RJIVPWHGNMCTGE-SJKOYZFVSA-N 1 1 381.419 4.029 20 0 GIADMO COc1cc(C[NH2+][C@@H](CCO)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000184500348 822646092 /nfs/dbraw/zinc/64/60/92/822646092.db2.gz RTCOTTAOHSYMEV-IBGZPJMESA-N 1 1 385.435 4.220 20 0 GIADMO Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](CCO)c4ccco4)cc3)nc12 ZINC000184510743 822648024 /nfs/dbraw/zinc/64/80/24/822648024.db2.gz MCRZRCPRWMXPND-NRFANRHFSA-N 1 1 391.471 4.028 20 0 GIADMO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184524465 822650839 /nfs/dbraw/zinc/65/08/39/822650839.db2.gz FTPSTNPFWITRAP-MRXNPFEDSA-N 1 1 395.528 4.128 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000455424080 822651263 /nfs/dbraw/zinc/65/12/63/822651263.db2.gz CCXHEWKIVCFXRC-INIZCTEOSA-N 1 1 394.510 4.043 20 0 GIADMO C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1nc(-c2ccccc2)cs1 ZINC000184528352 822651559 /nfs/dbraw/zinc/65/15/59/822651559.db2.gz WPPJXKQTDDYECE-QGZVFWFLSA-N 1 1 391.540 4.309 20 0 GIADMO COc1cc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc(OC)c1 ZINC000184534880 822652705 /nfs/dbraw/zinc/65/27/05/822652705.db2.gz AODUSZUDTFMQTO-CQSZACIVSA-N 1 1 397.500 4.117 20 0 GIADMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)n(C(C)(C)C)n1 ZINC000184537025 822653175 /nfs/dbraw/zinc/65/31/75/822653175.db2.gz NXQRPGSBJJMRGP-HNNXBMFYSA-N 1 1 397.548 4.359 20 0 GIADMO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1nc(-c2ccccc2)cs1 ZINC000184537192 822653344 /nfs/dbraw/zinc/65/33/44/822653344.db2.gz GSTIHHNYNVFQSA-CRAIPNDOSA-N 1 1 379.485 4.486 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccccc2)cs1 ZINC000184538226 822653539 /nfs/dbraw/zinc/65/35/39/822653539.db2.gz GZVSYCCNGIROSO-DZGCQCFKSA-N 1 1 397.466 4.262 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1ccncc1 ZINC000048323452 822653627 /nfs/dbraw/zinc/65/36/27/822653627.db2.gz OAZBFSGJDAYCQV-GOSISDBHSA-N 1 1 383.561 4.006 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OC(F)(F)F ZINC000180283589 822654928 /nfs/dbraw/zinc/65/49/28/822654928.db2.gz RZJXYDIYUOFNSV-KRWDZBQOSA-N 1 1 392.421 4.179 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000048359489 822655903 /nfs/dbraw/zinc/65/59/03/822655903.db2.gz PAYLTPBXTDKLJX-IAGOWNOFSA-N 1 1 391.515 4.016 20 0 GIADMO Cc1nc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(-c2ccccc2)o1 ZINC000184563757 822658029 /nfs/dbraw/zinc/65/80/29/822658029.db2.gz ZDOGRHXVNJDGHG-QGZVFWFLSA-N 1 1 395.528 4.354 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(C)n1 ZINC000455465669 822659830 /nfs/dbraw/zinc/65/98/30/822659830.db2.gz FBLZMWSNGIEEMK-UHFFFAOYSA-N 1 1 380.536 4.179 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(Br)c(F)c2)c2ccc(F)cc2)cn1 ZINC000184580066 822660934 /nfs/dbraw/zinc/66/09/34/822660934.db2.gz LRQMWTKYPIVHFG-SFHVURJKSA-N 1 1 392.247 4.340 20 0 GIADMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000048434218 822661680 /nfs/dbraw/zinc/66/16/80/822661680.db2.gz BSNBKGGCPDOJRA-APWZRJJASA-N 1 1 377.444 4.243 20 0 GIADMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000048434218 822661683 /nfs/dbraw/zinc/66/16/83/822661683.db2.gz BSNBKGGCPDOJRA-APWZRJJASA-N 1 1 377.444 4.243 20 0 GIADMO CCSc1cccc(Br)c1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000455476893 822662047 /nfs/dbraw/zinc/66/20/47/822662047.db2.gz ZFYBFFYYMHRCDA-TXEJJXNPSA-N 1 1 386.359 4.117 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2cc(F)cc(Br)c2)c2ccc(F)cc2)cn1 ZINC000184593558 822663177 /nfs/dbraw/zinc/66/31/77/822663177.db2.gz QSQITZKSOJAQFO-GOSISDBHSA-N 1 1 392.247 4.340 20 0 GIADMO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455483347 822663222 /nfs/dbraw/zinc/66/32/22/822663222.db2.gz XLMRIRXNRRRLKO-WCSCSJSISA-N 1 1 395.469 4.423 20 0 GIADMO Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)n1 ZINC000455530993 822671288 /nfs/dbraw/zinc/67/12/88/822671288.db2.gz RZFWZGAKHFASFF-FQEVSTJZSA-N 1 1 380.536 4.429 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000048549760 822671660 /nfs/dbraw/zinc/67/16/60/822671660.db2.gz KSIQTPKWDXBFHC-OAHLLOKOSA-N 1 1 393.409 4.110 20 0 GIADMO C[C@H]1CCN(C(=O)Nc2cc(F)cc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000455565077 822675379 /nfs/dbraw/zinc/67/53/79/822675379.db2.gz KPNCXPXJDFSLPJ-AWEZNQCLSA-N 1 1 377.410 4.232 20 0 GIADMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2SC(C)C)C1 ZINC000180411002 822677338 /nfs/dbraw/zinc/67/73/38/822677338.db2.gz VDAUTTDLDSAYDB-HNNXBMFYSA-N 1 1 399.398 4.298 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 ZINC000180413363 822677624 /nfs/dbraw/zinc/67/76/24/822677624.db2.gz DTAUMGAKSBJVFT-HNNXBMFYSA-N 1 1 383.458 4.217 20 0 GIADMO C[C@@H](CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)Cc1ccc(Cl)cc1 ZINC000180426526 822679708 /nfs/dbraw/zinc/67/97/08/822679708.db2.gz LSOOBCZJPZIDNU-OAHLLOKOSA-N 1 1 387.911 4.048 20 0 GIADMO CC[N@@H+]1CC[C@@H](CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000048745017 822680784 /nfs/dbraw/zinc/68/07/84/822680784.db2.gz NBJTVHRLIFCRNV-SFHVURJKSA-N 1 1 378.495 4.110 20 0 GIADMO CC[N@H+]1CC[C@@H](CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000048745017 822680786 /nfs/dbraw/zinc/68/07/86/822680786.db2.gz NBJTVHRLIFCRNV-SFHVURJKSA-N 1 1 378.495 4.110 20 0 GIADMO O=C(N[C@@H](c1ccccc1)C(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000455598603 822681737 /nfs/dbraw/zinc/68/17/37/822681737.db2.gz NRLFJDRFUDEKMR-VTHDOGFWSA-N 1 1 399.485 4.488 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C)nc1-c1ccccc1 ZINC000180442600 822682819 /nfs/dbraw/zinc/68/28/19/822682819.db2.gz VBCNQCSYQFWVLI-UHFFFAOYSA-N 1 1 376.504 4.165 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C)nc1-c1ccccc1 ZINC000180442600 822682820 /nfs/dbraw/zinc/68/28/20/822682820.db2.gz VBCNQCSYQFWVLI-UHFFFAOYSA-N 1 1 376.504 4.165 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780441 822682844 /nfs/dbraw/zinc/68/28/44/822682844.db2.gz KPGPCHWTLSRUGK-GFCCVEGCSA-N 1 1 387.332 4.095 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000048780438 822682895 /nfs/dbraw/zinc/68/28/95/822682895.db2.gz KPGPCHWTLSRUGK-LBPRGKRZSA-N 1 1 387.332 4.095 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000455604450 822682927 /nfs/dbraw/zinc/68/29/27/822682927.db2.gz GDFPQOVMBZFVNL-SFHVURJKSA-N 1 1 383.458 4.330 20 0 GIADMO C[C@H]1CN(Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@H](C)O1 ZINC000048816667 822684186 /nfs/dbraw/zinc/68/41/86/822684186.db2.gz YNJNHUOPJZCXTC-IRXDYDNUSA-N 1 1 396.560 4.037 20 0 GIADMO CC[C@@H](NC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1nc(C(F)(F)F)cs1 ZINC000455612243 822684274 /nfs/dbraw/zinc/68/42/74/822684274.db2.gz AXFPEVDRKDSKQW-LLVKDONJSA-N 1 1 383.399 4.391 20 0 GIADMO COCc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000048828358 822684986 /nfs/dbraw/zinc/68/49/86/822684986.db2.gz ZKEPRYGRUJQMKZ-IBGZPJMESA-N 1 1 395.547 4.064 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000455622660 822685733 /nfs/dbraw/zinc/68/57/33/822685733.db2.gz UZHUPDHTWCAZKS-MRXNPFEDSA-N 1 1 381.923 4.070 20 0 GIADMO C[C@@H](NCc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180464314 822686788 /nfs/dbraw/zinc/68/67/88/822686788.db2.gz NSZUDDLNJLVYQC-SJLPKXTDSA-N 1 1 375.582 4.203 20 0 GIADMO C[C@H](NCc1sccc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000180479973 822688793 /nfs/dbraw/zinc/68/87/93/822688793.db2.gz PDOONXJFERQAOM-ZDUSSCGKSA-N 1 1 383.355 4.302 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1)c1cccs1 ZINC000180507665 822693355 /nfs/dbraw/zinc/69/33/55/822693355.db2.gz AVXXMOQEUPFDML-PKOBYXMFSA-N 1 1 381.501 4.419 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3CSC)CC2)cc1 ZINC000184808746 822693819 /nfs/dbraw/zinc/69/38/19/822693819.db2.gz WZIISGBINJUMFB-UHFFFAOYSA-N 1 1 399.560 4.298 20 0 GIADMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180529405 822696939 /nfs/dbraw/zinc/69/69/39/822696939.db2.gz OACCWULHNSTZSA-LBPRGKRZSA-N 1 1 393.247 4.072 20 0 GIADMO O=C(Nc1ccc(C2CCC2)cn1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455672825 822697011 /nfs/dbraw/zinc/69/70/11/822697011.db2.gz FMOLKUKNWYQAKF-YADHBBJMSA-N 1 1 390.531 4.335 20 0 GIADMO CC[C@@H]1C[C@@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCO1 ZINC000180530423 822697173 /nfs/dbraw/zinc/69/71/73/822697173.db2.gz VMRUSTQITSVYAN-RBUKOAKNSA-N 1 1 390.527 4.106 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180567810 822703718 /nfs/dbraw/zinc/70/37/18/822703718.db2.gz IPZDWZATUMSMBY-KRWDZBQOSA-N 1 1 397.372 4.006 20 0 GIADMO COc1cc(C[N@H+](C)Cc2cc(Cl)cn2C)ccc1OCc1ccncc1 ZINC000180571148 822704424 /nfs/dbraw/zinc/70/44/24/822704424.db2.gz INCOIMFHIHCRAZ-UHFFFAOYSA-N 1 1 385.895 4.293 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cc(Cl)cn2C)ccc1OCc1ccncc1 ZINC000180571148 822704428 /nfs/dbraw/zinc/70/44/28/822704428.db2.gz INCOIMFHIHCRAZ-UHFFFAOYSA-N 1 1 385.895 4.293 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccnn1C1CCCC1 ZINC000180575882 822705335 /nfs/dbraw/zinc/70/53/35/822705335.db2.gz ZKCGRSLMHMIVGP-MRXNPFEDSA-N 1 1 398.404 4.359 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NC[C@]3(C)CCCc4ccccc43)CC2)cs1 ZINC000180587684 822706539 /nfs/dbraw/zinc/70/65/39/822706539.db2.gz FWIXFSPBLBPHLJ-QHCPKHFHSA-N 1 1 397.588 4.074 20 0 GIADMO CCN(C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000049789714 822709481 /nfs/dbraw/zinc/70/94/81/822709481.db2.gz UQXHOMUQVXAVFY-LAUBAEHRSA-N 1 1 399.535 4.099 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000049789537 822709557 /nfs/dbraw/zinc/70/95/57/822709557.db2.gz NKPVNFMJACOCIG-APWZRJJASA-N 1 1 395.503 4.447 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455711180 822709814 /nfs/dbraw/zinc/70/98/14/822709814.db2.gz BBDHWAALRNAWLZ-QGZVFWFLSA-N 1 1 383.540 4.110 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC000049943913 822712137 /nfs/dbraw/zinc/71/21/37/822712137.db2.gz LTYOIHZSQUSWHX-MRXNPFEDSA-N 1 1 394.899 4.153 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(Cl)ccc1Cl ZINC000184921417 822713306 /nfs/dbraw/zinc/71/33/06/822713306.db2.gz PYNOSUFHMWTLHE-CYBMUJFWSA-N 1 1 399.343 4.384 20 0 GIADMO CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000050026543 822714792 /nfs/dbraw/zinc/71/47/92/822714792.db2.gz SFIJKUUHUUZZMG-IBGZPJMESA-N 1 1 379.504 4.132 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1OCCF)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455727314 822714987 /nfs/dbraw/zinc/71/49/87/822714987.db2.gz WIFXEUMJFWFBSO-HKUYNNGSSA-N 1 1 385.483 4.067 20 0 GIADMO CC[C@H](C)c1ccc([C@@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c2cccs2)cc1 ZINC000184937673 822715831 /nfs/dbraw/zinc/71/58/31/822715831.db2.gz ZGPXKWPVQZIEOF-NJNPRVFISA-N 1 1 399.604 4.103 20 0 GIADMO CCOC(C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)OCC ZINC000184940338 822716174 /nfs/dbraw/zinc/71/61/74/822716174.db2.gz LPDZOOJCMSUHRM-NRFANRHFSA-N 1 1 391.533 4.112 20 0 GIADMO CCOC(C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1)OCC ZINC000184940338 822716179 /nfs/dbraw/zinc/71/61/79/822716179.db2.gz LPDZOOJCMSUHRM-NRFANRHFSA-N 1 1 391.533 4.112 20 0 GIADMO Cc1sc([C@@H](C)[NH2+]CC(=O)NCc2ccco2)nc1-c1ccc(Cl)cc1 ZINC000184949316 822717309 /nfs/dbraw/zinc/71/73/09/822717309.db2.gz JVAIOBSWNAHDLQ-GFCCVEGCSA-N 1 1 389.908 4.332 20 0 GIADMO Cn1cc(-c2cc(C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C3CC3)on2)cn1 ZINC000184974086 822720414 /nfs/dbraw/zinc/72/04/14/822720414.db2.gz PIAGLYIBUPDQFR-UHFFFAOYSA-N 1 1 376.382 4.259 20 0 GIADMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccccc2C(C)(F)F)C1 ZINC000455764182 822722143 /nfs/dbraw/zinc/72/21/43/822722143.db2.gz CKEGJPLASPZNNI-QGZVFWFLSA-N 1 1 388.462 4.179 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(OC(C)C)c1 ZINC000455765862 822722473 /nfs/dbraw/zinc/72/24/73/822722473.db2.gz DGFKYLOQJQUVAL-OAQYLSRUSA-N 1 1 396.535 4.387 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(OC(C)C)c1 ZINC000455765860 822722483 /nfs/dbraw/zinc/72/24/83/822722483.db2.gz DGFKYLOQJQUVAL-NRFANRHFSA-N 1 1 396.535 4.387 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C(=O)Nc4ccccc4)CC3)o2)cc1 ZINC000050509777 822732204 /nfs/dbraw/zinc/73/22/04/822732204.db2.gz FNZLAEHZUGGHOC-KRWDZBQOSA-N 1 1 390.487 4.457 20 0 GIADMO Cc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c(C2CC2)n1 ZINC000455822932 822732176 /nfs/dbraw/zinc/73/21/76/822732176.db2.gz MRDGZTXKTSBHLJ-INIZCTEOSA-N 1 1 379.504 4.240 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C2CC2)n1 ZINC000455830767 822733279 /nfs/dbraw/zinc/73/32/79/822733279.db2.gz SWTYWCHZDXHQMK-RUZDIDTESA-N 1 1 389.543 4.396 20 0 GIADMO CCCn1ncc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C1CC1 ZINC000455836607 822734242 /nfs/dbraw/zinc/73/42/42/822734242.db2.gz USFPBBBDQNVPDK-LPHOPBHVSA-N 1 1 381.524 4.128 20 0 GIADMO CCSCc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000455856844 822738040 /nfs/dbraw/zinc/73/80/40/822738040.db2.gz IVWUFXVTMCDGHT-MBOZVWFJSA-N 1 1 391.581 4.045 20 0 GIADMO COc1cccc(-c2noc([C@H](C)[NH2+]CCOc3ccc(SC)cc3)n2)c1 ZINC000185134224 822741330 /nfs/dbraw/zinc/74/13/30/822741330.db2.gz YKKCYXUEMBUITO-AWEZNQCLSA-N 1 1 385.489 4.197 20 0 GIADMO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H](c3ccco3)N3CCCCC3)ccc21 ZINC000455880823 822741689 /nfs/dbraw/zinc/74/16/89/822741689.db2.gz SGNMPPKEBPRIMF-SFTDATJTSA-N 1 1 396.535 4.177 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000185151748 822743249 /nfs/dbraw/zinc/74/32/49/822743249.db2.gz IBQYWYKSZSAEBW-LJQANCHMSA-N 1 1 388.552 4.125 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000050963692 822743454 /nfs/dbraw/zinc/74/34/54/822743454.db2.gz VXUHQJWWJUHEOU-QFIPXVFZSA-N 1 1 398.478 4.038 20 0 GIADMO C[N@H+](Cc1ccc(Br)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185165807 822744813 /nfs/dbraw/zinc/74/48/13/822744813.db2.gz MYCGTTBEJMKMMY-UHFFFAOYSA-N 1 1 381.358 4.166 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000051049245 822744891 /nfs/dbraw/zinc/74/48/91/822744891.db2.gz DWEVDEHKYBFBRM-KNQAVFIVSA-N 1 1 395.547 4.177 20 0 GIADMO CC(C)c1ncsc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000455902570 822745411 /nfs/dbraw/zinc/74/54/11/822745411.db2.gz UNRJBAPXUMLWGI-UHFFFAOYSA-N 1 1 376.501 4.145 20 0 GIADMO CC(C)c1ncsc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000455902570 822745413 /nfs/dbraw/zinc/74/54/13/822745413.db2.gz UNRJBAPXUMLWGI-UHFFFAOYSA-N 1 1 376.501 4.145 20 0 GIADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000185176733 822745749 /nfs/dbraw/zinc/74/57/49/822745749.db2.gz IERYKISGHZMGCR-WRWLIDTKSA-N 1 1 388.939 4.024 20 0 GIADMO C[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccccc1N1CCCC1 ZINC000051120106 822746675 /nfs/dbraw/zinc/74/66/75/822746675.db2.gz FUZVMKZRRAPNAP-UHFFFAOYSA-N 1 1 399.336 4.329 20 0 GIADMO C[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccccc1N1CCCC1 ZINC000051120106 822746676 /nfs/dbraw/zinc/74/66/76/822746676.db2.gz FUZVMKZRRAPNAP-UHFFFAOYSA-N 1 1 399.336 4.329 20 0 GIADMO C[N@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133458 822747445 /nfs/dbraw/zinc/74/74/45/822747445.db2.gz CMHBKJGTXVCSHE-DENIHFKCSA-N 1 1 386.923 4.056 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000185196834 822748137 /nfs/dbraw/zinc/74/81/37/822748137.db2.gz ALVJZIRCRCKSHA-HZPDHXFCSA-N 1 1 392.503 4.187 20 0 GIADMO NC(=O)[C@H]([NH2+]Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000051187653 822749744 /nfs/dbraw/zinc/74/97/44/822749744.db2.gz RRIZPMOSMQBFBL-OAQYLSRUSA-N 1 1 380.875 4.235 20 0 GIADMO CC[C@H](C[N@H+](CC)Cn1nc(-c2cnccn2)n(CC)c1=S)c1ccccc1 ZINC000185215226 822750163 /nfs/dbraw/zinc/75/01/63/822750163.db2.gz XWLVVGYRDVERHP-QGZVFWFLSA-N 1 1 396.564 4.364 20 0 GIADMO CC[C@H](C[N@@H+](CC)Cn1nc(-c2cnccn2)n(CC)c1=S)c1ccccc1 ZINC000185215226 822750164 /nfs/dbraw/zinc/75/01/64/822750164.db2.gz XWLVVGYRDVERHP-QGZVFWFLSA-N 1 1 396.564 4.364 20 0 GIADMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000051201101 822750363 /nfs/dbraw/zinc/75/03/63/822750363.db2.gz WQOASMREFPWHCW-FXAWDEMLSA-N 1 1 380.488 4.275 20 0 GIADMO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1)c1ccccc1 ZINC000185259839 822755887 /nfs/dbraw/zinc/75/58/87/822755887.db2.gz HDQUUXGAFUQYEC-JXFKEZNVSA-N 1 1 384.495 4.367 20 0 GIADMO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1Cl ZINC000185280455 822758934 /nfs/dbraw/zinc/75/89/34/822758934.db2.gz YISGSCGDYFKDRP-LBPRGKRZSA-N 1 1 384.282 4.215 20 0 GIADMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000185282327 822759223 /nfs/dbraw/zinc/75/92/23/822759223.db2.gz VJRKHIDVHVNFPU-HNNXBMFYSA-N 1 1 379.913 4.312 20 0 GIADMO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1Cl ZINC000185282327 822759224 /nfs/dbraw/zinc/75/92/24/822759224.db2.gz VJRKHIDVHVNFPU-HNNXBMFYSA-N 1 1 379.913 4.312 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C2CC2)s1 ZINC000185283165 822759375 /nfs/dbraw/zinc/75/93/75/822759375.db2.gz USILITRNAHYHPX-HOTGVXAUSA-N 1 1 379.888 4.090 20 0 GIADMO C[C@H](c1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1)C(F)(F)F ZINC000455993313 822763081 /nfs/dbraw/zinc/76/30/81/822763081.db2.gz KZVUODUNWHMHAG-LJHODMEESA-N 1 1 380.454 4.441 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C1=CC[C@@H](C)CC1 ZINC000455994893 822763520 /nfs/dbraw/zinc/76/35/20/822763520.db2.gz LURKXVVKDAUALZ-DYESRHJHSA-N 1 1 378.520 4.323 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C2CC2)s1 ZINC000185319387 822765309 /nfs/dbraw/zinc/76/53/09/822765309.db2.gz SJHSXQQTGBBOBS-PXAZEXFGSA-N 1 1 395.931 4.332 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C2CC2)s1 ZINC000185319372 822765331 /nfs/dbraw/zinc/76/53/31/822765331.db2.gz SJHSXQQTGBBOBS-SJKOYZFVSA-N 1 1 395.931 4.332 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C2CC2)s1 ZINC000185322690 822765816 /nfs/dbraw/zinc/76/58/16/822765816.db2.gz NXFZRYRPLWVDBD-ACJLOTCBSA-N 1 1 377.941 4.365 20 0 GIADMO CCN(C(=O)C[NH2+][C@@H](c1ncc(C)s1)C1CC1)c1nc2ccccc2s1 ZINC000185324145 822766041 /nfs/dbraw/zinc/76/60/41/822766041.db2.gz PLMHBTYNEJYNEZ-QGZVFWFLSA-N 1 1 386.546 4.155 20 0 GIADMO O=C(C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1)N1CCCCC1 ZINC000051560419 822766039 /nfs/dbraw/zinc/76/60/39/822766039.db2.gz QPBNSWDFCDNDNZ-UHFFFAOYSA-N 1 1 387.911 4.220 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456017310 822766917 /nfs/dbraw/zinc/76/69/17/822766917.db2.gz QFXTZPRFYWAQCP-FYYLOGMGSA-N 1 1 389.543 4.394 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185332491 822767370 /nfs/dbraw/zinc/76/73/70/822767370.db2.gz LBGBNPUTEMWUTK-VGSWGCGISA-N 1 1 394.563 4.372 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185332540 822767422 /nfs/dbraw/zinc/76/74/22/822767422.db2.gz LBGBNPUTEMWUTK-HTAPYJJXSA-N 1 1 394.563 4.372 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCC(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000051589651 822767587 /nfs/dbraw/zinc/76/75/87/822767587.db2.gz LCSSQHABEIFMIO-UHFFFAOYSA-N 1 1 387.911 4.164 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2)c(C)c1 ZINC000051589651 822767594 /nfs/dbraw/zinc/76/75/94/822767594.db2.gz LCSSQHABEIFMIO-UHFFFAOYSA-N 1 1 387.911 4.164 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)s1 ZINC000185334175 822767644 /nfs/dbraw/zinc/76/76/44/822767644.db2.gz YJTUSJDHDMUBBH-DOTOQJQBSA-N 1 1 375.925 4.341 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000456022374 822767719 /nfs/dbraw/zinc/76/77/19/822767719.db2.gz NGJGIARRMJIARQ-FDFHNCONSA-N 1 1 397.950 4.352 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)C1CC1 ZINC000185346421 822769255 /nfs/dbraw/zinc/76/92/55/822769255.db2.gz AKXCFBCVFVJDCE-IBGZPJMESA-N 1 1 376.422 4.346 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C2CC2)s1 ZINC000185349852 822769359 /nfs/dbraw/zinc/76/93/59/822769359.db2.gz ZCEAEMHVBNRWRI-XOBRGWDASA-N 1 1 383.517 4.458 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N[C@@H](CCO)c1ccco1)C1CCCCC1 ZINC000185351166 822769780 /nfs/dbraw/zinc/76/97/80/822769780.db2.gz LOILPNHPVZVWBV-FQEVSTJZSA-N 1 1 385.508 4.289 20 0 GIADMO CC(=O)N1CC[C@H]([NH2+]Cc2csc(C(C)(C)C)n2)c2ccc(F)cc2C1 ZINC000185357378 822770604 /nfs/dbraw/zinc/77/06/04/822770604.db2.gz XFNLVATUUMFXRA-SFHVURJKSA-N 1 1 375.513 4.163 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185364842 822772379 /nfs/dbraw/zinc/77/23/79/822772379.db2.gz DXFQUKWOVDSOCI-YJBOKZPZSA-N 1 1 375.563 4.090 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)C2CC2)s1 ZINC000185366075 822772629 /nfs/dbraw/zinc/77/26/29/822772629.db2.gz DPVOTONJIYHLAF-NHYWBVRUSA-N 1 1 381.448 4.121 20 0 GIADMO CC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000174343606 822775490 /nfs/dbraw/zinc/77/54/90/822775490.db2.gz RCMUNFQOSZEHJA-UHFFFAOYSA-N 1 1 391.471 4.436 20 0 GIADMO CC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000174343606 822775494 /nfs/dbraw/zinc/77/54/94/822775494.db2.gz RCMUNFQOSZEHJA-UHFFFAOYSA-N 1 1 391.471 4.436 20 0 GIADMO Cc1ccsc1C[N@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000051735196 822776931 /nfs/dbraw/zinc/77/69/31/822776931.db2.gz QCTSWZVPHVGTAG-UHFFFAOYSA-N 1 1 398.528 4.115 20 0 GIADMO Cc1ccsc1C[N@@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000051735196 822776932 /nfs/dbraw/zinc/77/69/32/822776932.db2.gz QCTSWZVPHVGTAG-UHFFFAOYSA-N 1 1 398.528 4.115 20 0 GIADMO C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361737 822777923 /nfs/dbraw/zinc/77/79/23/822777923.db2.gz UNJWVIUCPDYZBN-IIDMSEBBSA-N 1 1 385.474 4.323 20 0 GIADMO CCCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000051800613 822778989 /nfs/dbraw/zinc/77/89/89/822778989.db2.gz CRPFXOKVMMPWAG-UHFFFAOYSA-N 1 1 398.551 4.378 20 0 GIADMO CCCCCNC(=O)C1CC[NH+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 ZINC000051802194 822779172 /nfs/dbraw/zinc/77/91/72/822779172.db2.gz KKHAKARRGCBKKJ-QGZVFWFLSA-N 1 1 384.524 4.124 20 0 GIADMO CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000051923763 822783117 /nfs/dbraw/zinc/78/31/17/822783117.db2.gz ZFGUCVAPZDXJBQ-HSZRJFAPSA-N 1 1 396.531 4.075 20 0 GIADMO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000185437210 822783661 /nfs/dbraw/zinc/78/36/61/822783661.db2.gz FOQWHXOQKXECMG-PKOBYXMFSA-N 1 1 383.536 4.251 20 0 GIADMO COc1ccc(-c2nc(CN3CC[NH+]([C@H](C)c4ccsc4)CC3)co2)cc1 ZINC000185442027 822784367 /nfs/dbraw/zinc/78/43/67/822784367.db2.gz FDGJUTBPSOHXOA-MRXNPFEDSA-N 1 1 383.517 4.291 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2c3ccccc3c3ccccc32)on1 ZINC000052007809 822786481 /nfs/dbraw/zinc/78/64/81/822786481.db2.gz RKLMAGNTEJUGHC-JTSKRJEESA-N 1 1 375.472 4.289 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(Br)cc2F)on1 ZINC000052010514 822786853 /nfs/dbraw/zinc/78/68/53/822786853.db2.gz LJRXRQLGGISFOS-HNNXBMFYSA-N 1 1 396.260 4.050 20 0 GIADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000174414459 822786887 /nfs/dbraw/zinc/78/68/87/822786887.db2.gz RLQLBMFNMCZRFI-HZPDHXFCSA-N 1 1 392.544 4.124 20 0 GIADMO C[C@@H](CCNC(=O)c1cccnc1SC(F)F)[N@@H+](C)Cc1ccccc1 ZINC000174418920 822787456 /nfs/dbraw/zinc/78/74/56/822787456.db2.gz PJSMTFHMLWEGPE-AWEZNQCLSA-N 1 1 379.476 4.037 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc(OC)cc1 ZINC000052039790 822788892 /nfs/dbraw/zinc/78/88/92/822788892.db2.gz RIWWETPUTYGQTO-UHFFFAOYSA-N 1 1 376.884 4.208 20 0 GIADMO C[C@H]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000174432449 822789371 /nfs/dbraw/zinc/78/93/71/822789371.db2.gz GHTSLVFIAMAGJP-KRWDZBQOSA-N 1 1 396.922 4.486 20 0 GIADMO COc1ccc(-c2noc([C@@H](C)N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2)cc1 ZINC000185483604 822789399 /nfs/dbraw/zinc/78/93/99/822789399.db2.gz XHXMEFFPBVLSOZ-JKSUJKDBSA-N 1 1 398.532 4.247 20 0 GIADMO COc1cc(C[NH2+]Cc2nc(C)c(C)s2)ccc1OCc1c(C)noc1C ZINC000174433734 822789409 /nfs/dbraw/zinc/78/94/09/822789409.db2.gz ISUQRDCCZNZRQQ-UHFFFAOYSA-N 1 1 387.505 4.242 20 0 GIADMO C[C@H]1CCN(Cc2ccc(C(=O)N3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000174434787 822789645 /nfs/dbraw/zinc/78/96/45/822789645.db2.gz GIBLKVCZZIFBAW-NRFANRHFSA-N 1 1 391.559 4.019 20 0 GIADMO C[C@H]1CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000174434787 822789647 /nfs/dbraw/zinc/78/96/47/822789647.db2.gz GIBLKVCZZIFBAW-NRFANRHFSA-N 1 1 391.559 4.019 20 0 GIADMO C[C@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CCN1Cc1ccccc1 ZINC000174434787 822789648 /nfs/dbraw/zinc/78/96/48/822789648.db2.gz GIBLKVCZZIFBAW-NRFANRHFSA-N 1 1 391.559 4.019 20 0 GIADMO COc1ccc(-c2noc(C[N@H+](Cc3ccco3)C3CCCC3)n2)c(OC)c1 ZINC000052077219 822789793 /nfs/dbraw/zinc/78/97/93/822789793.db2.gz QCXPYVGZLLDZHO-UHFFFAOYSA-N 1 1 383.448 4.292 20 0 GIADMO COc1ccc(-c2noc(C[N@@H+](Cc3ccco3)C3CCCC3)n2)c(OC)c1 ZINC000052077219 822789794 /nfs/dbraw/zinc/78/97/94/822789794.db2.gz QCXPYVGZLLDZHO-UHFFFAOYSA-N 1 1 383.448 4.292 20 0 GIADMO COc1cc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc(OC)c1 ZINC000174451121 822791632 /nfs/dbraw/zinc/79/16/32/822791632.db2.gz JRUAYBOGDYULRB-UHFFFAOYSA-N 1 1 380.488 4.219 20 0 GIADMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000052161911 822791680 /nfs/dbraw/zinc/79/16/80/822791680.db2.gz LDQSOPIIPOVCAW-HNNXBMFYSA-N 1 1 385.895 4.098 20 0 GIADMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000052161911 822791682 /nfs/dbraw/zinc/79/16/82/822791682.db2.gz LDQSOPIIPOVCAW-HNNXBMFYSA-N 1 1 385.895 4.098 20 0 GIADMO COc1cccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)c1OC ZINC000174452131 822791694 /nfs/dbraw/zinc/79/16/94/822791694.db2.gz VMOSWKFGQRYLTG-UHFFFAOYSA-N 1 1 380.488 4.219 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccnc2Sc2ccc(C)cc2C)C1 ZINC000174466924 822794256 /nfs/dbraw/zinc/79/42/56/822794256.db2.gz HCXNRGAPRHZICX-SFHVURJKSA-N 1 1 383.561 4.263 20 0 GIADMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482273 822795386 /nfs/dbraw/zinc/79/53/86/822795386.db2.gz VWRUGQPXFHGQIH-KSSFIOAISA-N 1 1 394.313 4.135 20 0 GIADMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482273 822795387 /nfs/dbraw/zinc/79/53/87/822795387.db2.gz VWRUGQPXFHGQIH-KSSFIOAISA-N 1 1 394.313 4.135 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3cccc(Cl)c3)nc2C)C1 ZINC000174487174 822796001 /nfs/dbraw/zinc/79/60/01/822796001.db2.gz AXNYLTRJEJQGAY-AWEZNQCLSA-N 1 1 377.941 4.186 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000174490524 822796223 /nfs/dbraw/zinc/79/62/23/822796223.db2.gz JQMSKYQUMDFCDO-GOSISDBHSA-N 1 1 386.923 4.333 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)C1 ZINC000174494012 822796567 /nfs/dbraw/zinc/79/65/67/822796567.db2.gz LUVWKSDGYLKMHT-QGZVFWFLSA-N 1 1 391.490 4.455 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000174496267 822796802 /nfs/dbraw/zinc/79/68/02/822796802.db2.gz AFHWPQZTRIPIHE-CQSZACIVSA-N 1 1 394.441 4.225 20 0 GIADMO Cc1cc(C)c(C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(F)(F)F)c(C)c1 ZINC000456325427 822798572 /nfs/dbraw/zinc/79/85/72/822798572.db2.gz DDWLLDXPUQAYAG-PHSGOXPASA-N 1 1 382.470 4.074 20 0 GIADMO C[C@H]1CN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456328955 822798974 /nfs/dbraw/zinc/79/89/74/822798974.db2.gz IHXXYTXCBUOMQY-HYBUGGRVSA-N 1 1 392.543 4.175 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)[C@@H](C)c2ccccc2OC)c1 ZINC000052429974 822799334 /nfs/dbraw/zinc/79/93/34/822799334.db2.gz ZUIHLSCSIHOMFG-LAUBAEHRSA-N 1 1 382.504 4.060 20 0 GIADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000052432007 822799497 /nfs/dbraw/zinc/79/94/97/822799497.db2.gz FYAUAWSQFZLBKF-FXAWDEMLSA-N 1 1 382.504 4.108 20 0 GIADMO Cc1cn2nc(NC3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)sc2n1 ZINC000052486829 822801169 /nfs/dbraw/zinc/80/11/69/822801169.db2.gz VFVMSCGTOBXUCV-UHFFFAOYSA-N 1 1 395.454 4.195 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000052496141 822801639 /nfs/dbraw/zinc/80/16/39/822801639.db2.gz KPEIIBFYWQSNGC-CYBMUJFWSA-N 1 1 379.555 4.043 20 0 GIADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000456361985 822802166 /nfs/dbraw/zinc/80/21/66/822802166.db2.gz WJAVOZCQIZFQGM-GOSISDBHSA-N 1 1 389.590 4.300 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000174537893 822802800 /nfs/dbraw/zinc/80/28/00/822802800.db2.gz RIFXRROBEJCCHC-AWEZNQCLSA-N 1 1 377.941 4.186 20 0 GIADMO CNC(=O)c1ccc(C[N@H+](Cc2c(Cl)ccc3cccnc32)C2CC2)cc1 ZINC000052530218 822802765 /nfs/dbraw/zinc/80/27/65/822802765.db2.gz DWEJYRKQTQDJOL-UHFFFAOYSA-N 1 1 379.891 4.412 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2c(Cl)ccc3cccnc32)C2CC2)cc1 ZINC000052530218 822802770 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NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3Cc3ccc(F)cc3)cs2)cc1 ZINC000053641605 822843561 /nfs/dbraw/zinc/84/35/61/822843561.db2.gz ORQNUEOMUQFYFC-FQEVSTJZSA-N 1 1 395.503 4.255 20 0 GIADMO CCSCC[C@H](C)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000174839380 822844634 /nfs/dbraw/zinc/84/46/34/822844634.db2.gz ZMQULAXXPIVJTJ-XSLAUPDRSA-N 1 1 389.609 4.355 20 0 GIADMO C[C@]12CN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000456996662 822845279 /nfs/dbraw/zinc/84/52/79/822845279.db2.gz VGMBLVZDIQAMCM-FINVBEJZSA-N 1 1 381.564 4.388 20 0 GIADMO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186031080 822845380 /nfs/dbraw/zinc/84/53/80/822845380.db2.gz BSPRJDOBCQQWEM-LBPRGKRZSA-N 1 1 395.272 4.282 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H]3c3cccc(F)c3)cc(=O)oc2c1 ZINC000053717993 822845875 /nfs/dbraw/zinc/84/58/75/822845875.db2.gz FGIFYVCMLVFBPK-FQEVSTJZSA-N 1 1 380.419 4.228 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000053721961 822846167 /nfs/dbraw/zinc/84/61/67/822846167.db2.gz ORTZJFNYCYHRHZ-QGZVFWFLSA-N 1 1 393.487 4.270 20 0 GIADMO COc1ccc([C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c2ccco2)cc1 ZINC000457014137 822846331 /nfs/dbraw/zinc/84/63/31/822846331.db2.gz WOLWVMCYCHQDEN-VGOFRKELSA-N 1 1 378.472 4.014 20 0 GIADMO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000053744436 822846983 /nfs/dbraw/zinc/84/69/83/822846983.db2.gz IJOPDATXHGFOQF-QGZVFWFLSA-N 1 1 386.503 4.393 20 0 GIADMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000457056337 822848636 /nfs/dbraw/zinc/84/86/36/822848636.db2.gz NMEGUXWPRAMRHP-UHFFFAOYSA-N 1 1 393.247 4.072 20 0 GIADMO CC(C)c1ccc(-c2ncc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)s2)cc1 ZINC000174875751 822849634 /nfs/dbraw/zinc/84/96/34/822849634.db2.gz AZIUWSCKVXUKJG-SFHVURJKSA-N 1 1 385.577 4.088 20 0 GIADMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000053836405 822849726 /nfs/dbraw/zinc/84/97/26/822849726.db2.gz MKWLVYGMQCXVLO-UHFFFAOYSA-N 1 1 389.265 4.168 20 0 GIADMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000053836405 822849728 /nfs/dbraw/zinc/84/97/28/822849728.db2.gz MKWLVYGMQCXVLO-UHFFFAOYSA-N 1 1 389.265 4.168 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000186096167 822851295 /nfs/dbraw/zinc/85/12/95/822851295.db2.gz XZOFZSKFOREJGN-JXFKEZNVSA-N 1 1 394.519 4.114 20 0 GIADMO COc1c(C)ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000174896454 822852282 /nfs/dbraw/zinc/85/22/82/822852282.db2.gz CNXYMMPTTTZARA-HXUWFJFHSA-N 1 1 381.520 4.298 20 0 GIADMO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000186117158 822853161 /nfs/dbraw/zinc/85/31/61/822853161.db2.gz DPFCNVXNAXXRFP-HKUYNNGSSA-N 1 1 390.574 4.204 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457100552 822853250 /nfs/dbraw/zinc/85/32/50/822853250.db2.gz WSBXZQGFZHHNHF-INIZCTEOSA-N 1 1 395.425 4.224 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000174909795 822854406 /nfs/dbraw/zinc/85/44/06/822854406.db2.gz ZYQNXBQSHHCPER-SZVBFZGTSA-N 1 1 386.565 4.207 20 0 GIADMO C[N@@H+](CCCNC(=O)N(Cc1ccco1)Cc1ccco1)Cc1ccccc1 ZINC000053999451 822856426 /nfs/dbraw/zinc/85/64/26/822856426.db2.gz JBWPTHVSPIZZRI-UHFFFAOYSA-N 1 1 381.476 4.107 20 0 GIADMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)c12 ZINC000457141262 822856768 /nfs/dbraw/zinc/85/67/68/822856768.db2.gz ZAIFSBYHEAHDKD-SFHVURJKSA-N 1 1 392.503 4.061 20 0 GIADMO COc1ccc(SCCC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174932707 822857793 /nfs/dbraw/zinc/85/77/93/822857793.db2.gz SSMGWXZCPIZHLT-FQEVSTJZSA-N 1 1 398.572 4.158 20 0 GIADMO Cc1oc2ccccc2c1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186170812 822857821 /nfs/dbraw/zinc/85/78/21/822857821.db2.gz HZUWFDKZUKQXOC-FQEVSTJZSA-N 1 1 391.515 4.405 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1cc(Cl)cs1 ZINC000174936091 822858076 /nfs/dbraw/zinc/85/80/76/822858076.db2.gz HQXVWZSBXWFPOV-KRWDZBQOSA-N 1 1 376.953 4.315 20 0 GIADMO C[N@@H+](CCCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000457165698 822858487 /nfs/dbraw/zinc/85/84/87/822858487.db2.gz KMELQNNBMSEEBS-UHFFFAOYSA-N 1 1 393.247 4.072 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000054011250 822858630 /nfs/dbraw/zinc/85/86/30/822858630.db2.gz YEUHUTHHMUJYHN-UHFFFAOYSA-N 1 1 388.471 4.192 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc(C[S@@](C)=O)c2)c1 ZINC000054011354 822858645 /nfs/dbraw/zinc/85/86/45/822858645.db2.gz HIMMCGAUHULVMR-NDEPHWFRSA-N 1 1 395.528 4.186 20 0 GIADMO C[N@@H+](CCCCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000457171680 822858717 /nfs/dbraw/zinc/85/87/17/822858717.db2.gz SLWPQGHKSLACPW-HKUYNNGSSA-N 1 1 399.362 4.452 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2)CC1 ZINC000054012353 822858902 /nfs/dbraw/zinc/85/89/02/822858902.db2.gz HGTWHOAXSZEMLL-UHFFFAOYSA-N 1 1 382.895 4.216 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000054024701 822859412 /nfs/dbraw/zinc/85/94/12/822859412.db2.gz JBMAWIFRAOPVTP-QHCPKHFHSA-N 1 1 393.531 4.064 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000174949776 822859869 /nfs/dbraw/zinc/85/98/69/822859869.db2.gz AAXXIYYFMHSINR-SFHVURJKSA-N 1 1 395.934 4.344 20 0 GIADMO C[N@@H+](CCCCNC(=O)C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC000457194566 822860079 /nfs/dbraw/zinc/86/00/79/822860079.db2.gz FOHLMFFTOVVHAH-UHFFFAOYSA-N 1 1 393.369 4.252 20 0 GIADMO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(Cl)c1 ZINC000457196169 822860224 /nfs/dbraw/zinc/86/02/24/822860224.db2.gz PZTDTACNAAOVEH-JFIYKMOQSA-N 1 1 378.925 4.041 20 0 GIADMO C[N@@H+](CCCCNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)C1CC1 ZINC000457202237 822860629 /nfs/dbraw/zinc/86/06/29/822860629.db2.gz NFWOKFOGZBQTMC-ZWKOTPCHSA-N 1 1 383.561 4.337 20 0 GIADMO CCOc1ccc(-c2nc(C)c(C(=O)NCCCC[N@@H+](C)C3CC3)s2)cc1 ZINC000457213161 822861058 /nfs/dbraw/zinc/86/10/58/822861058.db2.gz YLWRYOFIEGHGTN-UHFFFAOYSA-N 1 1 387.549 4.121 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000174957572 822861223 /nfs/dbraw/zinc/86/12/23/822861223.db2.gz NRQNLBHBOJSMHO-IBGZPJMESA-N 1 1 390.449 4.228 20 0 GIADMO Cc1cc2[nH]c(C(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c(C)c1 ZINC000174958950 822861460 /nfs/dbraw/zinc/86/14/60/822861460.db2.gz IHHWBBLAHHXDPI-FQEVSTJZSA-N 1 1 375.516 4.379 20 0 GIADMO Cc1cc(F)cc2[nH]c(C(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000174963294 822862149 /nfs/dbraw/zinc/86/21/49/822862149.db2.gz IWPKJERHUMWUGG-GOSISDBHSA-N 1 1 379.479 4.210 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000174964768 822862163 /nfs/dbraw/zinc/86/21/63/822862163.db2.gz REERFEABVHQKSB-KRWDZBQOSA-N 1 1 392.421 4.179 20 0 GIADMO Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174971139 822862853 /nfs/dbraw/zinc/86/28/53/822862853.db2.gz JSWORQFDKFMERN-CABCVRRESA-N 1 1 375.563 4.267 20 0 GIADMO C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000054122203 822863117 /nfs/dbraw/zinc/86/31/17/822863117.db2.gz OIDVSLXJCCIAOH-UWJYYQICSA-N 1 1 384.495 4.209 20 0 GIADMO C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000054122203 822863121 /nfs/dbraw/zinc/86/31/21/822863121.db2.gz OIDVSLXJCCIAOH-UWJYYQICSA-N 1 1 384.495 4.209 20 0 GIADMO O=C(c1ccccc1C(F)(F)F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000054121970 822863132 /nfs/dbraw/zinc/86/31/32/822863132.db2.gz LKWVHZBLHRJNMS-UHFFFAOYSA-N 1 1 380.385 4.193 20 0 GIADMO O=C(c1ccccc1C(F)(F)F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054121970 822863134 /nfs/dbraw/zinc/86/31/34/822863134.db2.gz LKWVHZBLHRJNMS-UHFFFAOYSA-N 1 1 380.385 4.193 20 0 GIADMO Cc1c(COc2ccccc2)cccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000174997089 822865361 /nfs/dbraw/zinc/86/53/61/822865361.db2.gz CYMVVYFAOSMIRT-UXHICEINSA-N 1 1 379.504 4.274 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)c1ccccc1 ZINC000174997061 822865365 /nfs/dbraw/zinc/86/53/65/822865365.db2.gz SZZDOHOPRDHVLD-OAQYLSRUSA-N 1 1 379.548 4.128 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000054182534 822866348 /nfs/dbraw/zinc/86/63/48/822866348.db2.gz MUPCBKVZLBURCL-INIZCTEOSA-N 1 1 380.879 4.134 20 0 GIADMO CC(C)c1nc([C@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cs1 ZINC000186264617 822867007 /nfs/dbraw/zinc/86/70/07/822867007.db2.gz BVWSENBHXQTEFJ-LBPRGKRZSA-N 1 1 396.354 4.110 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[NH2+]C2(c3nccs3)CCCC2)C(C)C)cc1 ZINC000175014196 822867545 /nfs/dbraw/zinc/86/75/45/822867545.db2.gz SUYZNGIUGMOOGP-IBGZPJMESA-N 1 1 387.549 4.024 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ncoc2-c2ccc(F)cc2)cc1 ZINC000186273356 822868305 /nfs/dbraw/zinc/86/83/05/822868305.db2.gz PPMAVMVJTRUBGN-AWEZNQCLSA-N 1 1 390.418 4.466 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)n1 ZINC000054205142 822868332 /nfs/dbraw/zinc/86/83/32/822868332.db2.gz WFYQDWFEKNCTES-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)n1 ZINC000054205142 822868336 /nfs/dbraw/zinc/86/83/36/822868336.db2.gz WFYQDWFEKNCTES-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)N[C@@H](C)c3ccc(Cl)cc3)CCCC2)n1 ZINC000175018902 822868500 /nfs/dbraw/zinc/86/85/00/822868500.db2.gz UHHOTJFKNGTQPF-AWEZNQCLSA-N 1 1 377.941 4.341 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000054222955 822869146 /nfs/dbraw/zinc/86/91/46/822869146.db2.gz BTICPGMJDCADPD-LPHOPBHVSA-N 1 1 380.536 4.081 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000054224204 822869301 /nfs/dbraw/zinc/86/93/01/822869301.db2.gz TXAZNYNJMOSNDY-NQIIRXRSSA-N 1 1 389.499 4.226 20 0 GIADMO Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2)cs1 ZINC000054224767 822869492 /nfs/dbraw/zinc/86/94/92/822869492.db2.gz FXURZBUBCMCPBK-KSSFIOAISA-N 1 1 380.517 4.012 20 0 GIADMO COc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1OC(C)C ZINC000054226543 822869758 /nfs/dbraw/zinc/86/97/58/822869758.db2.gz XYLLYPACECDWPH-FXAWDEMLSA-N 1 1 382.504 4.048 20 0 GIADMO COc1cccc(F)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000186283415 822870137 /nfs/dbraw/zinc/87/01/37/822870137.db2.gz LUUOSGHOQAGGRT-ICSRJNTNSA-N 1 1 397.494 4.353 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(OC(C)C)cc3Cl)sc2C1 ZINC000457387772 822872269 /nfs/dbraw/zinc/87/22/69/822872269.db2.gz LEZPBQTXWRCLPW-UHFFFAOYSA-N 1 1 379.913 4.214 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(OC(C)C)cc3Cl)sc2C1 ZINC000457387772 822872273 /nfs/dbraw/zinc/87/22/73/822872273.db2.gz LEZPBQTXWRCLPW-UHFFFAOYSA-N 1 1 379.913 4.214 20 0 GIADMO CSCc1cccnc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000569043313 822872768 /nfs/dbraw/zinc/87/27/68/822872768.db2.gz JQEFMCMIPZANIL-FPOVZHCZSA-N 1 1 395.572 4.071 20 0 GIADMO CSCc1cccnc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000569043317 822872778 /nfs/dbraw/zinc/87/27/78/822872778.db2.gz JQEFMCMIPZANIL-TZIWHRDSSA-N 1 1 395.572 4.071 20 0 GIADMO CCN(C(=O)c1cnc(Cl)c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186304142 822873478 /nfs/dbraw/zinc/87/34/78/822873478.db2.gz RYYDMMQQTQQOCA-INIZCTEOSA-N 1 1 378.303 4.125 20 0 GIADMO CC(C)Oc1ccc([C@H](CNCc2ccn(-c3ccccc3)n2)[NH+](C)C)cc1 ZINC000569048511 822873633 /nfs/dbraw/zinc/87/36/33/822873633.db2.gz RWNCEZHKJARLTC-QHCPKHFHSA-N 1 1 378.520 4.052 20 0 GIADMO COc1ccc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4)n3C)C2)cc1 ZINC000186307867 822874163 /nfs/dbraw/zinc/87/41/63/822874163.db2.gz HMPWNWSBIPLOID-KRWDZBQOSA-N 1 1 382.895 4.134 20 0 GIADMO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)c2ccccc21 ZINC000186309795 822874266 /nfs/dbraw/zinc/87/42/66/822874266.db2.gz NCLSSEYPAWPMNA-DLBZAZTESA-N 1 1 377.893 4.062 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000457436570 822875007 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20 0 GIADMO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000054427948 822884119 /nfs/dbraw/zinc/88/41/19/822884119.db2.gz ATDAVUGBDZOLMI-NRFANRHFSA-N 1 1 380.488 4.100 20 0 GIADMO CCOC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000054427948 822884124 /nfs/dbraw/zinc/88/41/24/822884124.db2.gz ATDAVUGBDZOLMI-NRFANRHFSA-N 1 1 380.488 4.100 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000054429192 822884416 /nfs/dbraw/zinc/88/44/16/822884416.db2.gz QWCZPSCPTCYSIJ-UHFFFAOYSA-N 1 1 386.879 4.172 20 0 GIADMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000569154682 822885123 /nfs/dbraw/zinc/88/51/23/822885123.db2.gz LZQOYNQIQNWJLS-GCJKJVERSA-N 1 1 378.516 4.012 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@H](C)c3cccc(OC(C)C)c3)CC2)[nH+]c1 ZINC000175123010 822886938 /nfs/dbraw/zinc/88/69/38/822886938.db2.gz RNZLLZYAQXFMCP-GOSISDBHSA-N 1 1 396.535 4.206 20 0 GIADMO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CCN1Cc1ccccc1 ZINC000186393454 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1 1 396.922 4.007 20 0 GIADMO CC(=O)Nc1cccc(-n2cnn(C[N@H+](C3CC3)C3CCC(C)CC3)c2=S)c1 ZINC000054472021 822888237 /nfs/dbraw/zinc/88/82/37/822888237.db2.gz KQTIQRXHDFDZRK-UHFFFAOYSA-N 1 1 399.564 4.362 20 0 GIADMO CC(=O)Nc1cccc(-n2cnn(C[N@@H+](C3CC3)C3CCC(C)CC3)c2=S)c1 ZINC000054472021 822888241 /nfs/dbraw/zinc/88/82/41/822888241.db2.gz KQTIQRXHDFDZRK-UHFFFAOYSA-N 1 1 399.564 4.362 20 0 GIADMO CC(C)c1nc([C@@H](C)[NH2+]CCNC(=O)c2cccc(Br)c2)cs1 ZINC000186405355 822889164 /nfs/dbraw/zinc/88/91/64/822889164.db2.gz XRQFBIHKBNDKSR-GFCCVEGCSA-N 1 1 396.354 4.110 20 0 GIADMO COc1cc(Br)c(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1OC ZINC000186410674 822890180 /nfs/dbraw/zinc/89/01/80/822890180.db2.gz IHQRMNVIHKFSSO-DYVFJYSZSA-N 1 1 391.309 4.444 20 0 GIADMO COc1cc(Br)c(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1OC ZINC000186410674 822890185 /nfs/dbraw/zinc/89/01/85/822890185.db2.gz IHQRMNVIHKFSSO-DYVFJYSZSA-N 1 1 391.309 4.444 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)C3CC(C(C)(C)C)C3)CC2)cs1 ZINC000457560422 822891337 /nfs/dbraw/zinc/89/13/37/822891337.db2.gz QIXYDNAQFUNHJV-UHFFFAOYSA-N 1 1 377.598 4.106 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)C1 ZINC000054511421 822891804 /nfs/dbraw/zinc/89/18/04/822891804.db2.gz VYTQMJBUBBHONB-HXUWFJFHSA-N 1 1 396.535 4.022 20 0 GIADMO CC(C)c1nc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Br)cs1 ZINC000186421479 822891877 /nfs/dbraw/zinc/89/18/77/822891877.db2.gz YTXNKDKUYCYQOO-STQMWFEESA-N 1 1 399.354 4.120 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C1CCCC1 ZINC000569205814 822892664 /nfs/dbraw/zinc/89/26/64/822892664.db2.gz KZTRCVIVOXMWKE-JTHBVZDNSA-N 1 1 394.563 4.433 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186435556 822894975 /nfs/dbraw/zinc/89/49/75/822894975.db2.gz UNAGVIVQFJRMEH-HSZRJFAPSA-N 1 1 377.463 4.260 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000175160522 822895124 /nfs/dbraw/zinc/89/51/24/822895124.db2.gz REUMYSATPYNLLO-OAQYLSRUSA-N 1 1 394.519 4.277 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C[C@@H]1C ZINC000457591785 822895578 /nfs/dbraw/zinc/89/55/78/822895578.db2.gz ZXWACNSMCJHICU-RDJZCZTQSA-N 1 1 387.911 4.472 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1 ZINC000457608410 822896900 /nfs/dbraw/zinc/89/69/00/822896900.db2.gz UGLWNTPHXTXWBY-UHFFFAOYSA-N 1 1 387.911 4.048 20 0 GIADMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1scnc1-c1ccccc1 ZINC000175171485 822897220 /nfs/dbraw/zinc/89/72/20/822897220.db2.gz XCOFWSGOWMCREG-IBGZPJMESA-N 1 1 393.512 4.040 20 0 GIADMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1scnc1-c1ccccc1 ZINC000175171485 822897224 /nfs/dbraw/zinc/89/72/24/822897224.db2.gz XCOFWSGOWMCREG-IBGZPJMESA-N 1 1 393.512 4.040 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000054607867 822898657 /nfs/dbraw/zinc/89/86/57/822898657.db2.gz MLBXEMXMSIGXNH-MRXNPFEDSA-N 1 1 385.471 4.289 20 0 GIADMO COC[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000457649352 822901210 /nfs/dbraw/zinc/90/12/10/822901210.db2.gz LGYLKZURLOEEJW-SIKLNZKXSA-N 1 1 387.568 4.019 20 0 GIADMO COC[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000457649353 822901230 /nfs/dbraw/zinc/90/12/30/822901230.db2.gz LGYLKZURLOEEJW-UGKGYDQZSA-N 1 1 387.568 4.019 20 0 GIADMO CC(C)c1ccccc1OCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569298886 822903618 /nfs/dbraw/zinc/90/36/18/822903618.db2.gz DKAFQJNNUWJOTJ-YADHBBJMSA-N 1 1 392.543 4.169 20 0 GIADMO CC(C)c1ccccc1OCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569298884 822903772 /nfs/dbraw/zinc/90/37/72/822903772.db2.gz DKAFQJNNUWJOTJ-FGZHOGPDSA-N 1 1 392.543 4.169 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)CC(F)(F)F ZINC000457669211 822903978 /nfs/dbraw/zinc/90/39/78/822903978.db2.gz SQUJNFVDVIKPFE-MPGHIAIKSA-N 1 1 385.474 4.037 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)CC(F)(F)F ZINC000457669211 822903979 /nfs/dbraw/zinc/90/39/79/822903979.db2.gz SQUJNFVDVIKPFE-MPGHIAIKSA-N 1 1 385.474 4.037 20 0 GIADMO Cc1ccc(-c2cc(C[NH+]3CCC(O)(c4c(F)cccc4F)CC3)on2)cc1 ZINC000186491667 822904166 /nfs/dbraw/zinc/90/41/66/822904166.db2.gz RSQPABRRWACAFW-UHFFFAOYSA-N 1 1 384.426 4.412 20 0 GIADMO COC[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000457669547 822904200 /nfs/dbraw/zinc/90/42/00/822904200.db2.gz XKMNYKYLMSHAHH-UXHICEINSA-N 1 1 387.568 4.019 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1)[NH+]1CCOCC1 ZINC000569302880 822904547 /nfs/dbraw/zinc/90/45/47/822904547.db2.gz MGOBUBBJQHFORW-BPXKWBHBSA-N 1 1 397.494 4.287 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457676312 822905288 /nfs/dbraw/zinc/90/52/88/822905288.db2.gz BQPXBJLFQUEYGV-KUHUBIRLSA-N 1 1 375.875 4.107 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2[nH]ccc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457676310 822905295 /nfs/dbraw/zinc/90/52/95/822905295.db2.gz BQPXBJLFQUEYGV-IFXJQAMLSA-N 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ZINC000054686425 822906316 /nfs/dbraw/zinc/90/63/16/822906316.db2.gz AVPNTSIPAHGCFY-HNNXBMFYSA-N 1 1 375.513 4.038 20 0 GIADMO CCN(C(=O)NCC[N@H+]1CCc2sccc2C1)[C@@H](C)c1ccc(F)cc1 ZINC000054686425 822906318 /nfs/dbraw/zinc/90/63/18/822906318.db2.gz AVPNTSIPAHGCFY-HNNXBMFYSA-N 1 1 375.513 4.038 20 0 GIADMO Cc1c(Cl)cncc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457684188 822906398 /nfs/dbraw/zinc/90/63/98/822906398.db2.gz HYKLRCCAJKGZOM-FZKQIMNGSA-N 1 1 396.293 4.259 20 0 GIADMO C[C@H](NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)C1CCCC1 ZINC000569319529 822906973 /nfs/dbraw/zinc/90/69/73/822906973.db2.gz CLABNUANEPSSHE-KRWDZBQOSA-N 1 1 396.535 4.184 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000054718223 822907322 /nfs/dbraw/zinc/90/73/22/822907322.db2.gz HVBDUXYSSSFNIE-ZBFHGGJFSA-N 1 1 377.941 4.378 20 0 GIADMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Br)cc1[O-] ZINC000186518738 822907494 /nfs/dbraw/zinc/90/74/94/822907494.db2.gz MVYPNJOVBSKXHG-SOUVJXGZSA-N 1 1 381.358 4.458 20 0 GIADMO CC[C@H](CC(F)F)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457692314 822907597 /nfs/dbraw/zinc/90/75/97/822907597.db2.gz ZNQCFLFENPSOTK-QZTJIDSGSA-N 1 1 390.478 4.258 20 0 GIADMO CCN(C(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C)[C@@H](C)c1ccc(F)cc1 ZINC000186553872 822912349 /nfs/dbraw/zinc/91/23/49/822912349.db2.gz FYPLTAHOFAIJQW-INIZCTEOSA-N 1 1 396.510 4.147 20 0 GIADMO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000457739939 822913010 /nfs/dbraw/zinc/91/30/10/822913010.db2.gz OQQNMEFOYRJSJC-JBACZVJFSA-N 1 1 387.568 4.237 20 0 GIADMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000457753135 822914742 /nfs/dbraw/zinc/91/47/42/822914742.db2.gz XGEDOUPJCYKKPP-YYIAUSFCSA-N 1 1 377.495 4.402 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCCn1cc[nH+]c1C ZINC000054839015 822916734 /nfs/dbraw/zinc/91/67/34/822916734.db2.gz XSOQWTAYLYFPRZ-HNNXBMFYSA-N 1 1 383.521 4.074 20 0 GIADMO Cc1nc(-c2ccc([C@@H](C)NC(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cc2)cs1 ZINC000457772164 822917471 /nfs/dbraw/zinc/91/74/71/822917471.db2.gz JLSCPZCUHFNQTK-BEFAXECRSA-N 1 1 386.565 4.304 20 0 GIADMO Fc1cccc(Oc2ncccc2C[NH2+]Cc2cncc(Br)c2)c1 ZINC000186588953 822918427 /nfs/dbraw/zinc/91/84/27/822918427.db2.gz QBHSKUGBSJBTIM-UHFFFAOYSA-N 1 1 388.240 4.460 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)C(C)(C)c3cccc(Cl)c3F)CC2)[nH+]1 ZINC000186588267 822918464 /nfs/dbraw/zinc/91/84/64/822918464.db2.gz WSRFHKBHEHPCFR-UHFFFAOYSA-N 1 1 389.902 4.245 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)CCN1CCN(C)CC1 ZINC000186591172 822919245 /nfs/dbraw/zinc/91/92/45/822919245.db2.gz HZUOWZGPZNMPMZ-ZWKOTPCHSA-N 1 1 386.609 4.104 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000175268432 822920213 /nfs/dbraw/zinc/92/02/13/822920213.db2.gz VMUOHZHEMOYMCE-HNNXBMFYSA-N 1 1 394.412 4.227 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000175269412 822920342 /nfs/dbraw/zinc/92/03/42/822920342.db2.gz CKQARTVDIOADMO-HNNXBMFYSA-N 1 1 380.319 4.306 20 0 GIADMO Cc1nn(C)c(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1Br ZINC000569424912 822921365 /nfs/dbraw/zinc/92/13/65/822921365.db2.gz WEDWNBYVGWAPJK-UHFFFAOYSA-N 1 1 392.341 4.041 20 0 GIADMO CCC(=O)Nc1cccc(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175277216 822922445 /nfs/dbraw/zinc/92/24/45/822922445.db2.gz YSNFROUNDMOQEL-HXUWFJFHSA-N 1 1 393.531 4.019 20 0 GIADMO CCSc1cc(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000175277175 822922474 /nfs/dbraw/zinc/92/24/74/822922474.db2.gz LTRUIOQGCQOBJS-IBGZPJMESA-N 1 1 383.561 4.178 20 0 GIADMO Cc1ccc(Oc2ccc(C(=O)N3CC[N@H+](C4CCC4)C[C@H](C)C3)nc2)cc1 ZINC000457820467 822922685 /nfs/dbraw/zinc/92/26/85/822922685.db2.gz TYCBTRVZTIHDEZ-SFHVURJKSA-N 1 1 379.504 4.129 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(Oc2cccc(F)c2)cn1 ZINC000457826301 822923362 /nfs/dbraw/zinc/92/33/62/822923362.db2.gz BPZNPSMOCQAEDE-UHFFFAOYSA-N 1 1 397.450 4.200 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000175282749 822923596 /nfs/dbraw/zinc/92/35/96/822923596.db2.gz ONXVUUFNBMQDJQ-IBGZPJMESA-N 1 1 393.506 4.220 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)c(OC)n1 ZINC000569444940 822924428 /nfs/dbraw/zinc/92/44/28/822924428.db2.gz AWPJFVYFYCOWCF-LLVKDONJSA-N 1 1 391.265 4.458 20 0 GIADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(-c4cc[nH]n4)s3)sc2C1 ZINC000569449484 822924929 /nfs/dbraw/zinc/92/49/29/822924929.db2.gz FGWANQASKJPOJU-UHFFFAOYSA-N 1 1 387.534 4.004 20 0 GIADMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186624998 822925583 /nfs/dbraw/zinc/92/55/83/822925583.db2.gz GSTAYQMFGSQOPQ-BXKMTCNYSA-N 1 1 390.483 4.084 20 0 GIADMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186624998 822925587 /nfs/dbraw/zinc/92/55/87/822925587.db2.gz GSTAYQMFGSQOPQ-BXKMTCNYSA-N 1 1 390.483 4.084 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)c(Br)c1OC ZINC000569470729 822927098 /nfs/dbraw/zinc/92/70/98/822927098.db2.gz NWFZTCPWWFEVPH-AWEZNQCLSA-N 1 1 391.309 4.159 20 0 GIADMO CC[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000186637446 822927483 /nfs/dbraw/zinc/92/74/83/822927483.db2.gz WRNCLVLGLWVGOE-UGKGYDQZSA-N 1 1 381.451 4.161 20 0 GIADMO Clc1cccc(-c2noc(CC[N@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)c1 ZINC000186637219 822927554 /nfs/dbraw/zinc/92/75/54/822927554.db2.gz DDPJPJGVYZXTDR-NRFANRHFSA-N 1 1 381.863 4.064 20 0 GIADMO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCSC[C@H]2c2nccs2)CC1 ZINC000186641320 822928082 /nfs/dbraw/zinc/92/80/82/822928082.db2.gz MSWDIIYEXRGHLH-INIZCTEOSA-N 1 1 397.610 4.270 20 0 GIADMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCSC[C@H]2c2nccs2)CC1 ZINC000186641320 822928083 /nfs/dbraw/zinc/92/80/83/822928083.db2.gz MSWDIIYEXRGHLH-INIZCTEOSA-N 1 1 397.610 4.270 20 0 GIADMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000186649162 822929350 /nfs/dbraw/zinc/92/93/50/822929350.db2.gz RKPLADLISRFIOL-AOMKIAJQSA-N 1 1 375.451 4.185 20 0 GIADMO CCCC(O)(CCC)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000569495406 822929610 /nfs/dbraw/zinc/92/96/10/822929610.db2.gz GSFCSGSGSQLJGH-SFHVURJKSA-N 1 1 380.598 4.058 20 0 GIADMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569496157 822929933 /nfs/dbraw/zinc/92/99/33/822929933.db2.gz NZTUKGWUGHOCHD-YCRPNKLZSA-N 1 1 382.891 4.154 20 0 GIADMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569496157 822929935 /nfs/dbraw/zinc/92/99/35/822929935.db2.gz NZTUKGWUGHOCHD-YCRPNKLZSA-N 1 1 382.891 4.154 20 0 GIADMO CC(C)C1(NC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000457897022 822930329 /nfs/dbraw/zinc/93/03/29/822930329.db2.gz INSOGRZHCVIFKT-UHFFFAOYSA-N 1 1 383.458 4.158 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCc1ccc(F)cc1 ZINC000055024502 822931901 /nfs/dbraw/zinc/93/19/01/822931901.db2.gz UUUDMZRURJNQHL-CYBMUJFWSA-N 1 1 379.273 4.090 20 0 GIADMO Cc1cccc(OCCC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000569516925 822933210 /nfs/dbraw/zinc/93/32/10/822933210.db2.gz NCWRHYAZANBDJE-UHFFFAOYSA-N 1 1 392.499 4.305 20 0 GIADMO Cc1cccc(OCCC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000569516925 822933212 /nfs/dbraw/zinc/93/32/12/822933212.db2.gz NCWRHYAZANBDJE-UHFFFAOYSA-N 1 1 392.499 4.305 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCCC[C@H]3c3ccccc3)cs2)c1C ZINC000569536734 822936322 /nfs/dbraw/zinc/93/63/22/822936322.db2.gz BZEPTMSFFYJMRQ-IBGZPJMESA-N 1 1 394.544 4.248 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCCC[C@H]3c3ccccc3)cs2)c1C ZINC000569536734 822936325 /nfs/dbraw/zinc/93/63/25/822936325.db2.gz BZEPTMSFFYJMRQ-IBGZPJMESA-N 1 1 394.544 4.248 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@@H+]3CC[C@]4(C3)OCc3ccccc34)nc(N)c2c1C ZINC000186687480 822937408 /nfs/dbraw/zinc/93/74/08/822937408.db2.gz ZTUSCTGHYNPEPT-LRTDBIEQSA-N 1 1 380.517 4.083 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@H+]3CC[C@]4(C3)OCc3ccccc34)nc(N)c2c1C ZINC000186687480 822937411 /nfs/dbraw/zinc/93/74/11/822937411.db2.gz ZTUSCTGHYNPEPT-LRTDBIEQSA-N 1 1 380.517 4.083 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102839 822938549 /nfs/dbraw/zinc/93/85/49/822938549.db2.gz FQRWYRRBPTVERB-UHFFFAOYSA-N 1 1 388.895 4.181 20 0 GIADMO CCc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1C ZINC000186711642 822942479 /nfs/dbraw/zinc/94/24/79/822942479.db2.gz CRTZOPVQJCSWHE-RTBURBONSA-N 1 1 394.563 4.126 20 0 GIADMO CCCc1csc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)n1 ZINC000569589160 822942738 /nfs/dbraw/zinc/94/27/38/822942738.db2.gz YIESEGWZJGCRDR-IIBYNOLFSA-N 1 1 395.532 4.094 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)on1 ZINC000569610501 822944268 /nfs/dbraw/zinc/94/42/68/822944268.db2.gz KITZCMVCPZMSFU-NRFANRHFSA-N 1 1 392.430 4.466 20 0 GIADMO Clc1ccc(C[N@H+]2CCCN(c3nnc(-c4ccoc4)n3C3CC3)CC2)cc1 ZINC000569614030 822944947 /nfs/dbraw/zinc/94/49/47/822944947.db2.gz NNHSONKXEXMNGA-UHFFFAOYSA-N 1 1 397.910 4.239 20 0 GIADMO Cc1ccc(C)c(Cc2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)c1 ZINC000569619936 822945829 /nfs/dbraw/zinc/94/58/29/822945829.db2.gz DEDXOTKFTUEOIX-UHFFFAOYSA-N 1 1 381.386 4.463 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000055209348 822946024 /nfs/dbraw/zinc/94/60/24/822946024.db2.gz CCUJZDYXJGBNIZ-CQSZACIVSA-N 1 1 396.318 4.182 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000457969615 822945955 /nfs/dbraw/zinc/94/59/55/822945955.db2.gz YTHJQPUCCBHJMZ-KRWDZBQOSA-N 1 1 396.535 4.112 20 0 GIADMO Brc1cccc(C2(c3noc(Cn4c[nH+]c5c4CCCC5)n3)CC2)c1 ZINC000569623238 822946339 /nfs/dbraw/zinc/94/63/39/822946339.db2.gz JGXXUYSVHBCJFI-UHFFFAOYSA-N 1 1 399.292 4.036 20 0 GIADMO CC[C@@H]([NH2+]Cc1cc(Br)ccc1Br)c1cnn(C)c1 ZINC000186761629 822951188 /nfs/dbraw/zinc/95/11/88/822951188.db2.gz BGFWEMLVOFXRKY-CQSZACIVSA-N 1 1 387.119 4.186 20 0 GIADMO C[C@@H](Nc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569625953 822946451 /nfs/dbraw/zinc/94/64/51/822946451.db2.gz WVBRSYFTAQOTQI-DENIHFKCSA-N 1 1 377.532 4.245 20 0 GIADMO C[C@H](Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569625956 822946505 /nfs/dbraw/zinc/94/65/05/822946505.db2.gz WVBRSYFTAQOTQI-UGKGYDQZSA-N 1 1 377.532 4.245 20 0 GIADMO CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000175364611 822947142 /nfs/dbraw/zinc/94/71/42/822947142.db2.gz SOBRIRVGADOUSO-LSTHTHJFSA-N 1 1 391.581 4.266 20 0 GIADMO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186737603 822947544 /nfs/dbraw/zinc/94/75/44/822947544.db2.gz BVLWPQRLSSUKFL-HOTGVXAUSA-N 1 1 385.474 4.277 20 0 GIADMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000569637740 822948619 /nfs/dbraw/zinc/94/86/19/822948619.db2.gz IRVUWCCAOOPZLQ-FQEVSTJZSA-N 1 1 394.519 4.243 20 0 GIADMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC(C)(C)c1ccc(C)cc1C ZINC000569647955 822950056 /nfs/dbraw/zinc/95/00/56/822950056.db2.gz LBGFFBYMEMMVMR-IBGZPJMESA-N 1 1 382.552 4.214 20 0 GIADMO CC(C)c1ccc(-c2noc(CCC(=O)NCCC[N@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000055293137 822950209 /nfs/dbraw/zinc/95/02/09/822950209.db2.gz XXLJSPCLCVLPSY-SFHVURJKSA-N 1 1 398.551 4.173 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000175378542 822951819 /nfs/dbraw/zinc/95/18/19/822951819.db2.gz NJDOXKMFPNYCDV-SXBQZSJRSA-N 1 1 378.925 4.099 20 0 GIADMO CC(C)c1c(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cnn1-c1ccccc1 ZINC000569679694 822954774 /nfs/dbraw/zinc/95/47/74/822954774.db2.gz KOBSFVZZEHLFEY-SFHVURJKSA-N 1 1 395.551 4.334 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000569723232 822959100 /nfs/dbraw/zinc/95/91/00/822959100.db2.gz YPPYYPJLARDFKJ-HNNXBMFYSA-N 1 1 379.957 4.195 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CCC(C(F)F)CC1 ZINC000458113375 822959204 /nfs/dbraw/zinc/95/92/04/822959204.db2.gz SSCYNPMUOOPIOD-FHERZECASA-N 1 1 385.524 4.083 20 0 GIADMO C[C@@H]1[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000569726323 822959421 /nfs/dbraw/zinc/95/94/21/822959421.db2.gz SZMFSEYYARJAKY-DJIMGWMZSA-N 1 1 383.458 4.022 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(Cl)cc4cccnc43)cc2)CC1 ZINC000055418003 822959577 /nfs/dbraw/zinc/95/95/77/822959577.db2.gz CFVODLAAIHRQLI-UHFFFAOYSA-N 1 1 394.906 4.282 20 0 GIADMO CCC(CC)c1cc(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)on1 ZINC000175401102 822959710 /nfs/dbraw/zinc/95/97/10/822959710.db2.gz GTVQDZISHKQSER-UHFFFAOYSA-N 1 1 386.540 4.418 20 0 GIADMO Cc1ccccc1Nc1nc(C[N@@H+]2CCSC3(CCOCC3)C2)cs1 ZINC000186816296 822960204 /nfs/dbraw/zinc/96/02/04/822960204.db2.gz CPIVUJNYNLHFLE-UHFFFAOYSA-N 1 1 375.563 4.293 20 0 GIADMO Cc1ccccc1Nc1nc(C[N@H+]2CCSC3(CCOCC3)C2)cs1 ZINC000186816296 822960206 /nfs/dbraw/zinc/96/02/06/822960206.db2.gz CPIVUJNYNLHFLE-UHFFFAOYSA-N 1 1 375.563 4.293 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000458126200 822960535 /nfs/dbraw/zinc/96/05/35/822960535.db2.gz BUOFMNBUKMZWNM-KZULUSFZSA-N 1 1 378.879 4.071 20 0 GIADMO COc1cccc(Oc2ccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)c1 ZINC000175407583 822961282 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C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)C1 ZINC000411585474 823589429 /nfs/dbraw/zinc/58/94/29/823589429.db2.gz HGKXJMOSYBRHQO-FRGLQRNOSA-N 1 1 378.516 4.228 20 0 GIADMO Cc1ccc2ncc(C[N@@H+](C)C[C@@H]3C[C@H](F)CN3Cc3nccs3)cc2c1 ZINC000411591332 823589594 /nfs/dbraw/zinc/58/95/94/823589594.db2.gz ADQPRBVEXSPZGM-OALUTQOASA-N 1 1 384.524 4.044 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cccc(OC(F)F)c1 ZINC000061285566 823589610 /nfs/dbraw/zinc/58/96/10/823589610.db2.gz NUSZVKXNKPDGAC-UHFFFAOYSA-N 1 1 378.444 4.089 20 0 GIADMO Brc1cccc(C[N@@H+](CCc2cncs2)C2CCOCC2)c1 ZINC000411613853 823590880 /nfs/dbraw/zinc/59/08/80/823590880.db2.gz GSDZBWLDXILSME-UHFFFAOYSA-N 1 1 381.339 4.129 20 0 GIADMO Cc1noc(C[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)n1 ZINC000411634198 823592631 /nfs/dbraw/zinc/59/26/31/823592631.db2.gz KWVYUDHITPUYNH-QHCPKHFHSA-N 1 1 390.531 4.438 20 0 GIADMO CCn1nccc1C[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411644595 823593374 /nfs/dbraw/zinc/59/33/74/823593374.db2.gz JTDBIVXCOGUYSL-UHFFFAOYSA-N 1 1 378.476 4.156 20 0 GIADMO CCCCOc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000190645732 823594795 /nfs/dbraw/zinc/59/47/95/823594795.db2.gz MANIIQFCBNXVOI-MAUKXSAKSA-N 1 1 381.948 4.001 20 0 GIADMO COCCN(C)c1ccc(C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)cn1 ZINC000190669361 823596911 /nfs/dbraw/zinc/59/69/11/823596911.db2.gz DHDCXQHDCFXGKB-GFCCVEGCSA-N 1 1 386.298 4.461 20 0 GIADMO Fc1cc(-c2ncco2)ccc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000411687145 823597136 /nfs/dbraw/zinc/59/71/36/823597136.db2.gz FKFHIUDCFROEEP-GOSISDBHSA-N 1 1 380.467 4.393 20 0 GIADMO COc1ccc(CCCC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061432669 823597178 /nfs/dbraw/zinc/59/71/78/823597178.db2.gz VKATXHJDJPSBMQ-JOCHJYFZSA-N 1 1 380.532 4.046 20 0 GIADMO CC(=O)Oc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC000124449129 823597762 /nfs/dbraw/zinc/59/77/62/823597762.db2.gz PUKGXPNFRBBXLW-OAQYLSRUSA-N 1 1 381.497 4.409 20 0 GIADMO Nc1nc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)nc2ccccc12 ZINC000411715681 823599366 /nfs/dbraw/zinc/59/93/66/823599366.db2.gz CZIIWAIPZAJEDP-GOSISDBHSA-N 1 1 388.393 4.182 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1ccc(Br)cc1OC ZINC000461212495 823599820 /nfs/dbraw/zinc/59/98/20/823599820.db2.gz LSSUZUKDZOFTGP-UHFFFAOYSA-N 1 1 379.298 4.434 20 0 GIADMO O=C(CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1)NC(c1ccccc1)c1ccccc1 ZINC000411725151 823600223 /nfs/dbraw/zinc/60/02/23/823600223.db2.gz VWKFBMNDXAXLJC-JOCHJYFZSA-N 1 1 388.515 4.233 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000461216665 823600272 /nfs/dbraw/zinc/60/02/72/823600272.db2.gz FYCWHMIQGPEKBR-UHFFFAOYSA-N 1 1 376.884 4.478 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000411741273 823601363 /nfs/dbraw/zinc/60/13/63/823601363.db2.gz ZKXYGTDTLAJGQM-NVXWUHKLSA-N 1 1 386.458 4.000 20 0 GIADMO CC(=O)Nc1cccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000190715301 823601453 /nfs/dbraw/zinc/60/14/53/823601453.db2.gz PPJAZGWOQBPJAI-INIZCTEOSA-N 1 1 379.504 4.438 20 0 GIADMO C[C@@H](OCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000061526216 823601484 /nfs/dbraw/zinc/60/14/84/823601484.db2.gz ZBKHIKMCGHHQSR-NFBKMPQASA-N 1 1 395.547 4.118 20 0 GIADMO c1ccc(C[N@@H+]2CCC[C@H](N(CCc3ccccn3)Cc3ccncc3)C2)cc1 ZINC000411751401 823602410 /nfs/dbraw/zinc/60/24/10/823602410.db2.gz BQPUCWICNPLJRZ-VWLOTQADSA-N 1 1 386.543 4.186 20 0 GIADMO c1ccc(CN2CCC[C@H]([N@H+](CCc3ccccn3)Cc3ccncc3)C2)cc1 ZINC000411751401 823602412 /nfs/dbraw/zinc/60/24/12/823602412.db2.gz BQPUCWICNPLJRZ-VWLOTQADSA-N 1 1 386.543 4.186 20 0 GIADMO c1ccc(CN2CCC[C@H]([N@@H+](CCc3ccccn3)Cc3ccncc3)C2)cc1 ZINC000411751401 823602415 /nfs/dbraw/zinc/60/24/15/823602415.db2.gz BQPUCWICNPLJRZ-VWLOTQADSA-N 1 1 386.543 4.186 20 0 GIADMO CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124524418 823603509 /nfs/dbraw/zinc/60/35/09/823603509.db2.gz MFBHHNFQXDCRIO-ZEQRLZLVSA-N 1 1 393.575 4.249 20 0 GIADMO CC(C)([NH2+]Cc1cc(Cl)cc(Br)c1)c1nnc2n1CCCC2 ZINC000411792983 823605361 /nfs/dbraw/zinc/60/53/61/823605361.db2.gz RAHQOKLHCFTUNB-UHFFFAOYSA-N 1 1 383.721 4.055 20 0 GIADMO C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)[C@H](CO)CC(C)(C)C ZINC000411796459 823605579 /nfs/dbraw/zinc/60/55/79/823605579.db2.gz SBQVPGMCGOSWHO-HNNXBMFYSA-N 1 1 385.533 4.293 20 0 GIADMO C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)[C@H](CO)CC(C)(C)C ZINC000411796459 823605581 /nfs/dbraw/zinc/60/55/81/823605581.db2.gz SBQVPGMCGOSWHO-HNNXBMFYSA-N 1 1 385.533 4.293 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000461255149 823605638 /nfs/dbraw/zinc/60/56/38/823605638.db2.gz BZYDQZRJMIZGHP-GOSISDBHSA-N 1 1 393.369 4.204 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1c(C)nc2ccccc2c1C ZINC000061623916 823606863 /nfs/dbraw/zinc/60/68/63/823606863.db2.gz NRJFMBBWYKWOCV-UHFFFAOYSA-N 1 1 384.483 4.205 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1nc(-c2ccco2)sc1C ZINC000061624167 823606869 /nfs/dbraw/zinc/60/68/69/823606869.db2.gz YMUARIUGOHWDRS-UHFFFAOYSA-N 1 1 378.457 4.136 20 0 GIADMO CC(C)c1c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000461261796 823607599 /nfs/dbraw/zinc/60/75/99/823607599.db2.gz HCOBJIFOHOBXGX-GOSISDBHSA-N 1 1 386.515 4.081 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000461262473 823607799 /nfs/dbraw/zinc/60/77/99/823607799.db2.gz JDLGARFZOKMTOH-IBGZPJMESA-N 1 1 382.479 4.003 20 0 GIADMO Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2CC2CCOCC2)n1 ZINC000190781398 823608089 /nfs/dbraw/zinc/60/80/89/823608089.db2.gz JEWWQXFONIHGDJ-INIZCTEOSA-N 1 1 392.297 4.063 20 0 GIADMO C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461265981 823608872 /nfs/dbraw/zinc/60/88/72/823608872.db2.gz PPVRNIYGOXVELK-ZBFHGGJFSA-N 1 1 399.398 4.263 20 0 GIADMO COc1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc(Cl)c1OCC(C)C ZINC000461269402 823609589 /nfs/dbraw/zinc/60/95/89/823609589.db2.gz WZIVERFDYGISAH-QGZVFWFLSA-N 1 1 396.959 4.330 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000124597410 823609761 /nfs/dbraw/zinc/60/97/61/823609761.db2.gz DBPUWYTWSKYCFT-KSZLIROESA-N 1 1 386.511 4.294 20 0 GIADMO Clc1ccc(OCC[NH+]2CCC(c3ccncn3)CC2)c(Br)c1 ZINC000411829691 823609907 /nfs/dbraw/zinc/60/99/07/823609907.db2.gz ORBOXMYVSHFYCH-UHFFFAOYSA-N 1 1 396.716 4.151 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCSC2(CCC2)CC1 ZINC000411868528 823611507 /nfs/dbraw/zinc/61/15/07/823611507.db2.gz LDSZMPMOMKKOEL-UHFFFAOYSA-N 1 1 383.355 4.058 20 0 GIADMO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124632901 823612834 /nfs/dbraw/zinc/61/28/34/823612834.db2.gz MTPURZHOVGMUIY-YRNRMSPPSA-N 1 1 385.577 4.228 20 0 GIADMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1csc(COc2ccc(F)cc2)n1 ZINC000411887919 823613178 /nfs/dbraw/zinc/61/31/78/823613178.db2.gz CTNIHMQQJAGILA-CTNGQTDRSA-N 1 1 384.476 4.263 20 0 GIADMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000411893749 823613643 /nfs/dbraw/zinc/61/36/43/823613643.db2.gz PYLZYXWHXGWAPF-AEFFLSMTSA-N 1 1 390.270 4.445 20 0 GIADMO Cc1cccc(OCCCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000061787930 823614126 /nfs/dbraw/zinc/61/41/26/823614126.db2.gz OYRPXHCAOCGZOP-UHFFFAOYSA-N 1 1 399.560 4.134 20 0 GIADMO CCCOc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061789062 823614330 /nfs/dbraw/zinc/61/43/30/823614330.db2.gz PIPOLRGQZDXWRW-UHFFFAOYSA-N 1 1 399.560 4.346 20 0 GIADMO Cc1ccccc1OCCN(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789893 823614451 /nfs/dbraw/zinc/61/44/51/823614451.db2.gz DFCJEXPDAHVMBI-UHFFFAOYSA-N 1 1 399.560 4.087 20 0 GIADMO CCN(Cc1cccs1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790139 823614496 /nfs/dbraw/zinc/61/44/96/823614496.db2.gz KGXXLDJJQZOCTE-UHFFFAOYSA-N 1 1 375.563 4.351 20 0 GIADMO C[C@H](Cc1cccs1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790368 823614715 /nfs/dbraw/zinc/61/47/15/823614715.db2.gz PGFYFRRGRWEJDT-OAHLLOKOSA-N 1 1 375.563 4.050 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000411932932 823615023 /nfs/dbraw/zinc/61/50/23/823615023.db2.gz GFTPUKAOEGCBJB-OALUTQOASA-N 1 1 383.289 4.305 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)[C@H](C)C1 ZINC000461309373 823615083 /nfs/dbraw/zinc/61/50/83/823615083.db2.gz QOSMBBLUMYQGDP-XLIONFOSSA-N 1 1 395.576 4.221 20 0 GIADMO O=C(CC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000411942301 823615334 /nfs/dbraw/zinc/61/53/34/823615334.db2.gz MCCITSLNBBTCRE-PBHICJAKSA-N 1 1 379.287 4.130 20 0 GIADMO O=C(CC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000411942304 823615384 /nfs/dbraw/zinc/61/53/84/823615384.db2.gz MCCITSLNBBTCRE-YOEHRIQHSA-N 1 1 379.287 4.130 20 0 GIADMO C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411943476 823615676 /nfs/dbraw/zinc/61/56/76/823615676.db2.gz QQWUTZUNNKZPLC-WDEREUQCSA-N 1 1 382.348 4.195 20 0 GIADMO C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000411980700 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C[C@H]1C[NH+](Cc2ccccc2NCc2ccc(Br)o2)C[C@H](C)O1 ZINC000191392358 823679937 /nfs/dbraw/zinc/67/99/37/823679937.db2.gz AJFCRGOOZAUYKA-KBPBESRZSA-N 1 1 379.298 4.263 20 0 GIADMO Cc1ccc(CCCCC(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000063593662 823681849 /nfs/dbraw/zinc/68/18/49/823681849.db2.gz YQNFDXPYNFTVIP-UHFFFAOYSA-N 1 1 379.548 4.094 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000063626835 823684659 /nfs/dbraw/zinc/68/46/59/823684659.db2.gz KNYLAVNRJSJVFZ-OAHLLOKOSA-N 1 1 389.471 4.217 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000063626835 823684660 /nfs/dbraw/zinc/68/46/60/823684660.db2.gz KNYLAVNRJSJVFZ-OAHLLOKOSA-N 1 1 389.471 4.217 20 0 GIADMO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000063661204 823687503 /nfs/dbraw/zinc/68/75/03/823687503.db2.gz UOUCSYWNXOXKBO-CQSZACIVSA-N 1 1 382.533 4.306 20 0 GIADMO C[S@](=O)C[C@@H]([NH2+]Cc1cc(Br)c(Cl)s1)c1ccccc1 ZINC000191464752 823688115 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CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(OC)c(Cl)c3)CC2)n1 ZINC000191571783 823702091 /nfs/dbraw/zinc/70/20/91/823702091.db2.gz JILRESAUSAISBW-UHFFFAOYSA-N 1 1 394.924 4.361 20 0 GIADMO C[C@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1nc(C(C)(C)C)no1 ZINC000191574312 823702506 /nfs/dbraw/zinc/70/25/06/823702506.db2.gz XQLGVXSHSLVOSK-AWEZNQCLSA-N 1 1 376.932 4.336 20 0 GIADMO CC(C)[C@@H]1CCCN1Cn1nc(C[NH+]2CCCC2)n(Cc2ccccc2)c1=S ZINC000063858757 823702984 /nfs/dbraw/zinc/70/29/84/823702984.db2.gz ORIGUAQEJZBZFV-FQEVSTJZSA-N 1 1 399.608 4.136 20 0 GIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000063865840 823703853 /nfs/dbraw/zinc/70/38/53/823703853.db2.gz QKPPNYZFRIHUSY-AWEZNQCLSA-N 1 1 385.558 4.487 20 0 GIADMO Cc1cccc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c2ccccn2)c1 ZINC000125750446 823703939 /nfs/dbraw/zinc/70/39/39/823703939.db2.gz WYPKQOUSZFQFGB-NZQKXSOJSA-N 1 1 394.563 4.433 20 0 GIADMO CC(C)c1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)s1 ZINC000191585816 823704719 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399.579 4.160 20 0 GIADMO Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc(-c2cccs2)n1 ZINC000413230804 823734168 /nfs/dbraw/zinc/73/41/68/823734168.db2.gz DXTLFJPJAWUXNF-PXNSSMCTSA-N 1 1 379.533 4.038 20 0 GIADMO O=C(CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1c(F)cccc1F ZINC000574452409 823734210 /nfs/dbraw/zinc/73/42/10/823734210.db2.gz GFZNWTHARRIQAT-INIZCTEOSA-N 1 1 376.472 4.301 20 0 GIADMO C/C(=C\c1ccccc1OC(F)F)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000574456163 823734961 /nfs/dbraw/zinc/73/49/61/823734961.db2.gz LIEAWWNHVKYNBG-OKFGHLOFSA-N 1 1 376.451 4.360 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000125880175 823735703 /nfs/dbraw/zinc/73/57/03/823735703.db2.gz MFBJQLCQKOTGHF-CVEARBPZSA-N 1 1 378.586 4.294 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCC[C@@H](F)C2)cc1)C[C@H]1CCCCO1 ZINC000574462213 823737011 /nfs/dbraw/zinc/73/70/11/823737011.db2.gz BAPDMZBDBWFHDS-TZIWHRDSSA-N 1 1 391.531 4.432 20 0 GIADMO COCOc1ccc(OC)cc1CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 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IHYWMXWJZYKMAS-UHFFFAOYSA-N 1 1 375.340 4.077 20 0 GIADMO O=C(C[N@H+]1CCCC[C@H]1c1ccccc1)NCC1(c2ccccc2)CCOCC1 ZINC000574494091 823747794 /nfs/dbraw/zinc/74/77/94/823747794.db2.gz VFNYAWHPFJTECU-QHCPKHFHSA-N 1 1 392.543 4.078 20 0 GIADMO COCCOCc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000461909034 823749812 /nfs/dbraw/zinc/74/98/12/823749812.db2.gz HWTKXIFUMPRFNT-IBGZPJMESA-N 1 1 396.531 4.476 20 0 GIADMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1 ZINC000574501606 823749938 /nfs/dbraw/zinc/74/99/38/823749938.db2.gz YZFZFWMZLPIMJQ-PKOBYXMFSA-N 1 1 399.498 4.208 20 0 GIADMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1 ZINC000574501601 823750063 /nfs/dbraw/zinc/75/00/63/823750063.db2.gz YZFZFWMZLPIMJQ-IEBWSBKVSA-N 1 1 399.498 4.208 20 0 GIADMO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)CC(F)(F)F ZINC000413319454 823751586 /nfs/dbraw/zinc/75/15/86/823751586.db2.gz DDKLKHDJXQLOMN-GUTXKFCHSA-N 1 1 377.476 4.019 20 0 GIADMO CCN(Cc1occc1C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000413323195 823752449 /nfs/dbraw/zinc/75/24/49/823752449.db2.gz HRNLNQDFEDFYOQ-VQIMIIECSA-N 1 1 375.538 4.264 20 0 GIADMO CC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@H](C)c1cccc(OC)c1 ZINC000064141484 823753930 /nfs/dbraw/zinc/75/39/30/823753930.db2.gz HKFDQEUQASYUPK-MRXNPFEDSA-N 1 1 379.497 4.081 20 0 GIADMO CC[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)[C@H](C)c1cccc(OC)c1 ZINC000064141484 823753935 /nfs/dbraw/zinc/75/39/35/823753935.db2.gz HKFDQEUQASYUPK-MRXNPFEDSA-N 1 1 379.497 4.081 20 0 GIADMO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000191744845 823754720 /nfs/dbraw/zinc/75/47/20/823754720.db2.gz ZBYOQRXCTRZCAV-DOTOQJQBSA-N 1 1 397.947 4.092 20 0 GIADMO Ic1cccc(C[NH2+]Cc2ncoc2-c2ccccc2)c1 ZINC000574538310 823758642 /nfs/dbraw/zinc/75/86/42/823758642.db2.gz XTOBZDCCLICPPY-UHFFFAOYSA-N 1 1 390.224 4.236 20 0 GIADMO COc1c(C)cnc(CN2CCC([N@@H+](C)C/C=C\c3ccccc3)CC2)c1C ZINC000574558538 823765604 /nfs/dbraw/zinc/76/56/04/823765604.db2.gz LBLLDVAJBRXTQN-FLIBITNWSA-N 1 1 379.548 4.317 20 0 GIADMO Brc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000126009161 823765752 /nfs/dbraw/zinc/76/57/52/823765752.db2.gz BDGUJUWBDFHWEM-SFHVURJKSA-N 1 1 383.293 4.367 20 0 GIADMO Brc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000126009161 823765761 /nfs/dbraw/zinc/76/57/61/823765761.db2.gz BDGUJUWBDFHWEM-SFHVURJKSA-N 1 1 383.293 4.367 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)c1 ZINC000461945407 823767204 /nfs/dbraw/zinc/76/72/04/823767204.db2.gz CETKLHKOFXTLBW-QGZVFWFLSA-N 1 1 394.441 4.020 20 0 GIADMO Cc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000163973734 823767290 /nfs/dbraw/zinc/76/72/90/823767290.db2.gz DPECGAFBZJLNOI-HXUWFJFHSA-N 1 1 382.548 4.335 20 0 GIADMO C[C@H](CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413399559 823768944 /nfs/dbraw/zinc/76/89/44/823768944.db2.gz HKWCWENGNIRVLG-BQFCYCMXSA-N 1 1 385.474 4.175 20 0 GIADMO Cc1ccnc([C@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)c1 ZINC000574581401 823771467 /nfs/dbraw/zinc/77/14/67/823771467.db2.gz JRDUPRQZTFVLRN-KXBFYZLASA-N 1 1 389.421 4.004 20 0 GIADMO Cc1ccnc([C@H]2CC[N@H+]([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)c1 ZINC000574581401 823771471 /nfs/dbraw/zinc/77/14/71/823771471.db2.gz JRDUPRQZTFVLRN-KXBFYZLASA-N 1 1 389.421 4.004 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000064229871 823775602 /nfs/dbraw/zinc/77/56/02/823775602.db2.gz RPGFJJGQSLWJCE-UHFFFAOYSA-N 1 1 377.891 4.272 20 0 GIADMO CCN(Cc1occc1C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000413429060 823776254 /nfs/dbraw/zinc/77/62/54/823776254.db2.gz AUEZXCPGYRCVLI-RBBKRZOGSA-N 1 1 397.519 4.106 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1Cl ZINC000574606119 823778656 /nfs/dbraw/zinc/77/86/56/823778656.db2.gz FGYUGIGKTUWAOT-ZDUSSCGKSA-N 1 1 387.833 4.481 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cccc(C(=O)NCC(C)C)c1)C2 ZINC000574609199 823780213 /nfs/dbraw/zinc/78/02/13/823780213.db2.gz VRMGKNOTLUVSHB-UHFFFAOYSA-N 1 1 378.516 4.128 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)C2 ZINC000574609199 823780218 /nfs/dbraw/zinc/78/02/18/823780218.db2.gz VRMGKNOTLUVSHB-UHFFFAOYSA-N 1 1 378.516 4.128 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C(N)=O)c2ccccc2)CCC3)cc1 ZINC000126077935 823781255 /nfs/dbraw/zinc/78/12/55/823781255.db2.gz ZMNRODSQXTYJIN-PKOBYXMFSA-N 1 1 393.512 4.012 20 0 GIADMO CCn1nccc1CCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000574620491 823783857 /nfs/dbraw/zinc/78/38/57/823783857.db2.gz PJQFHGUNTDLHII-UHFFFAOYSA-N 1 1 394.485 4.061 20 0 GIADMO CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000574642141 823788095 /nfs/dbraw/zinc/78/80/95/823788095.db2.gz GSYXEONNQMJGDJ-CJNGLKHVSA-N 1 1 379.426 4.382 20 0 GIADMO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834060 823791030 /nfs/dbraw/zinc/79/10/30/823791030.db2.gz NKNNWDMYZDAUIT-UGKGYDQZSA-N 1 1 375.516 4.177 20 0 GIADMO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834060 823791035 /nfs/dbraw/zinc/79/10/35/823791035.db2.gz NKNNWDMYZDAUIT-UGKGYDQZSA-N 1 1 375.516 4.177 20 0 GIADMO COc1cccc(OC)c1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000126129907 823795581 /nfs/dbraw/zinc/79/55/81/823795581.db2.gz WYWYAGIKZLFNOW-UHFFFAOYSA-N 1 1 379.460 4.324 20 0 GIADMO C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413556660 823796762 /nfs/dbraw/zinc/79/67/62/823796762.db2.gz SYSRYZMUMVLBNZ-FUHWJXTLSA-N 1 1 385.474 4.176 20 0 GIADMO C[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000164345820 823797109 /nfs/dbraw/zinc/79/71/09/823797109.db2.gz BRPAOOCLHJFPSX-MYUZEXMDSA-N 1 1 381.545 4.104 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)cc1OC ZINC000164357350 823797683 /nfs/dbraw/zinc/79/76/83/823797683.db2.gz XIKYIPLLRSGZPN-GOSISDBHSA-N 1 1 379.504 4.384 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349066 823797906 /nfs/dbraw/zinc/79/79/06/823797906.db2.gz PWWBYVXAUQRNES-MRXNPFEDSA-N 1 1 393.487 4.156 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349066 823797907 /nfs/dbraw/zinc/79/79/07/823797907.db2.gz PWWBYVXAUQRNES-MRXNPFEDSA-N 1 1 393.487 4.156 20 0 GIADMO CC[N@@H+](C[C@H](O)COc1ccc(C(=O)OC)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000064348863 823797985 /nfs/dbraw/zinc/79/79/85/823797985.db2.gz CGFZHYFESWEKNC-LPHOPBHVSA-N 1 1 397.471 4.042 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462025232 823799899 /nfs/dbraw/zinc/79/98/99/823799899.db2.gz HJAVJXVCADQUIA-HUUCEWRRSA-N 1 1 399.348 4.318 20 0 GIADMO C[C@H]([NH2+]Cc1ccnn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000126151078 823800234 /nfs/dbraw/zinc/80/02/34/823800234.db2.gz BLLNPLMUBFDBRQ-NSHDSACASA-N 1 1 377.311 4.157 20 0 GIADMO Cc1ccc2nc(C[NH2+][C@@H]3CCCOc4ccc(Br)cc43)cn2c1 ZINC000574683434 823800590 /nfs/dbraw/zinc/80/05/90/823800590.db2.gz ZPPWNOFLRDOGKD-QGZVFWFLSA-N 1 1 386.293 4.409 20 0 GIADMO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1)OCCO3 ZINC000191889023 823804639 /nfs/dbraw/zinc/80/46/39/823804639.db2.gz TVUDYOOBIQTPSE-SJORKVTESA-N 1 1 397.515 4.132 20 0 GIADMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462049110 823811504 /nfs/dbraw/zinc/81/15/04/823811504.db2.gz NCEILVPTLQLLLR-CYBMUJFWSA-N 1 1 393.409 4.107 20 0 GIADMO C[C@H](Oc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1)c1ccccc1 ZINC000191919506 823811487 /nfs/dbraw/zinc/81/14/87/823811487.db2.gz YOAQKFZWXKJUHJ-ZEYPLWLESA-N 1 1 378.516 4.383 20 0 GIADMO C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000574728369 823811767 /nfs/dbraw/zinc/81/17/67/823811767.db2.gz NJKRREFLVOQBOG-ZWKOTPCHSA-N 1 1 387.518 4.166 20 0 GIADMO CO[C@@](C)([C@@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CC1 ZINC000413688162 823817410 /nfs/dbraw/zinc/81/74/10/823817410.db2.gz LCWIMTMREYHQGN-ZHRRBRCNSA-N 1 1 384.524 4.380 20 0 GIADMO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)c1 ZINC000126238426 823818456 /nfs/dbraw/zinc/81/84/56/823818456.db2.gz PBEGUNSGEIIESR-LBPRGKRZSA-N 1 1 379.273 4.189 20 0 GIADMO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+](C[C@H]3CCOC3)C3CC3)n2)c(C)c1 ZINC000164866510 823823578 /nfs/dbraw/zinc/82/35/78/823823578.db2.gz QWDQNEJEYFVKNS-QGZVFWFLSA-N 1 1 399.560 4.175 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccccc1OC(F)F ZINC000574785099 823825967 /nfs/dbraw/zinc/82/59/67/823825967.db2.gz WEROBLUJGYXQSQ-MRXNPFEDSA-N 1 1 375.419 4.074 20 0 GIADMO Cc1ccc(C[N@@H+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C2CC2)o1 ZINC000164991921 823829295 /nfs/dbraw/zinc/82/92/95/823829295.db2.gz XBSQTMSILVAFKQ-UHFFFAOYSA-N 1 1 392.503 4.384 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)[C@H](C)C1 ZINC000126288816 823831387 /nfs/dbraw/zinc/83/13/87/823831387.db2.gz XQSMGOVOVNJPGG-UZUQRXQVSA-N 1 1 394.515 4.484 20 0 GIADMO C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000413748139 823832273 /nfs/dbraw/zinc/83/22/73/823832273.db2.gz MTBOCBAQZNPEQH-FXAWDEMLSA-N 1 1 397.485 4.273 20 0 GIADMO C[C@@H](NC(=O)NOCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000165111178 823834854 /nfs/dbraw/zinc/83/48/54/823834854.db2.gz PHXGDBHYVPRCAJ-GDBMZVCRSA-N 1 1 399.457 4.089 20 0 GIADMO Cc1cc(C)c(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1 ZINC000064522049 823835198 /nfs/dbraw/zinc/83/51/98/823835198.db2.gz KGPQCYUJSQNVCZ-IBGZPJMESA-N 1 1 386.561 4.081 20 0 GIADMO CC(C)OCc1cccc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064534547 823838764 /nfs/dbraw/zinc/83/87/64/823838764.db2.gz SBBZSQCMMQKKQZ-KDURUIRLSA-N 1 1 375.557 4.491 20 0 GIADMO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462129998 823838837 /nfs/dbraw/zinc/83/88/37/823838837.db2.gz SZKWFBKEYBXMFB-LJQANCHMSA-N 1 1 395.528 4.354 20 0 GIADMO CC(C)OCc1cccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000064543718 823839648 /nfs/dbraw/zinc/83/96/48/823839648.db2.gz XBFJAYFZDRJGQC-UHFFFAOYSA-N 1 1 381.520 4.004 20 0 GIADMO C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000462132400 823839739 /nfs/dbraw/zinc/83/97/39/823839739.db2.gz VGKAMPNVXXOPEI-OAHLLOKOSA-N 1 1 379.342 4.030 20 0 GIADMO C[C@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413788798 823841668 /nfs/dbraw/zinc/84/16/68/823841668.db2.gz UXMWZSTYJHOHQF-OWCLPIDISA-N 1 1 398.469 4.089 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000462138955 823842046 /nfs/dbraw/zinc/84/20/46/823842046.db2.gz XLYWDWYZRYPGDB-CYBMUJFWSA-N 1 1 396.304 4.183 20 0 GIADMO COc1cc(C)c([C@@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000165297000 823842486 /nfs/dbraw/zinc/84/24/86/823842486.db2.gz KXPAZUWKPQIKQG-CTNGQTDRSA-N 1 1 382.548 4.227 20 0 GIADMO COc1cc(C)c([C@@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000165297000 823842496 /nfs/dbraw/zinc/84/24/96/823842496.db2.gz KXPAZUWKPQIKQG-CTNGQTDRSA-N 1 1 382.548 4.227 20 0 GIADMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1C[C@]1(F)c1ccccc1 ZINC000413800355 823842842 /nfs/dbraw/zinc/84/28/42/823842842.db2.gz BNUVUIIQKBIOHM-QTEQDKRBSA-N 1 1 378.447 4.112 20 0 GIADMO Cc1csc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1Br ZINC000192045711 823843102 /nfs/dbraw/zinc/84/31/02/823843102.db2.gz FPMNHHXNSPLVBI-ZDUSSCGKSA-N 1 1 381.339 4.069 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000126346386 823845382 /nfs/dbraw/zinc/84/53/82/823845382.db2.gz MXJMPEDLOKAMTJ-YJBOKZPZSA-N 1 1 382.508 4.425 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(C(F)(F)F)c1 ZINC000064563945 823847136 /nfs/dbraw/zinc/84/71/36/823847136.db2.gz CENOUAYLEZTINN-ZIAGYGMSSA-N 1 1 387.446 4.489 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)n2)ccc1C ZINC000192062093 823847774 /nfs/dbraw/zinc/84/77/74/823847774.db2.gz YNECXISOSPIMSX-XLIONFOSSA-N 1 1 399.878 4.327 20 0 GIADMO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000165412606 823848113 /nfs/dbraw/zinc/84/81/13/823848113.db2.gz GACUIOLQKNQHTD-HXUWFJFHSA-N 1 1 375.516 4.379 20 0 GIADMO Cc1ccc([C@@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)c2ccccc2Cl)cc1 ZINC000574869686 823848386 /nfs/dbraw/zinc/84/83/86/823848386.db2.gz LHFUPLUGTBPYJX-OAQYLSRUSA-N 1 1 395.938 4.113 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000462168399 823851545 /nfs/dbraw/zinc/85/15/45/823851545.db2.gz XYVCSHPERQBLNK-WZONZLPQSA-N 1 1 387.483 4.124 20 0 GIADMO CN(C(=O)Nc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000165540540 823852906 /nfs/dbraw/zinc/85/29/06/823852906.db2.gz FQGAKOVTTWARLJ-UXHICEINSA-N 1 1 392.975 4.141 20 0 GIADMO CCC[N@@H+](Cc1nnnn1-c1c(C)cccc1C)[C@@H]1CCc2ccccc2C1 ZINC000064632677 823855660 /nfs/dbraw/zinc/85/56/60/823855660.db2.gz HQRBRFQMLFEVDK-OAQYLSRUSA-N 1 1 375.520 4.049 20 0 GIADMO CC[C@@H](C)CN(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413879210 823856039 /nfs/dbraw/zinc/85/60/39/823856039.db2.gz MYRKSPKJLJIBPR-OAHLLOKOSA-N 1 1 396.373 4.101 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000462178219 823856150 /nfs/dbraw/zinc/85/61/50/823856150.db2.gz URRLKMQHBKOICK-YCRPNKLZSA-N 1 1 381.907 4.001 20 0 GIADMO C[C@@H]1c2ccsc2CCN1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644007 823856299 /nfs/dbraw/zinc/85/62/99/823856299.db2.gz FBYZGYUJMGZASQ-CVEARBPZSA-N 1 1 389.590 4.351 20 0 GIADMO Cc1csc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1Br ZINC000192089643 823856856 /nfs/dbraw/zinc/85/68/56/823856856.db2.gz KGKOFGXHXKBOCV-CYBMUJFWSA-N 1 1 381.339 4.069 20 0 GIADMO Cc1csc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1Br ZINC000192090421 823856941 /nfs/dbraw/zinc/85/69/41/823856941.db2.gz MVHBGNCVKZILNE-QWHCGFSZSA-N 1 1 385.371 4.202 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NCC(C)(C)c2cccnc2)CC1)CC(C)C ZINC000413892725 823860934 /nfs/dbraw/zinc/86/09/34/823860934.db2.gz YSDYXYOZFGNLEE-UHFFFAOYSA-N 1 1 388.600 4.149 20 0 GIADMO CC[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413905909 823863941 /nfs/dbraw/zinc/86/39/41/823863941.db2.gz JRDUYZYPKKAIAX-WMZOPIPTSA-N 1 1 385.474 4.129 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nc(-c2cccs2)no1 ZINC000192112001 823864276 /nfs/dbraw/zinc/86/42/76/823864276.db2.gz XGMODXKQIPAYOS-DRZCJDIDSA-N 1 1 377.416 4.257 20 0 GIADMO COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)c1OC ZINC000165949787 823866355 /nfs/dbraw/zinc/86/63/55/823866355.db2.gz WOUBUGKQXWNXJR-OAHLLOKOSA-N 1 1 390.911 4.045 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)Cc3ccc(O)cc3)c2)cc1 ZINC000574944303 823867518 /nfs/dbraw/zinc/86/75/18/823867518.db2.gz KLAZYGJFBIHFRR-UHFFFAOYSA-N 1 1 376.456 4.285 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462202107 823868288 /nfs/dbraw/zinc/86/82/88/823868288.db2.gz LISWLCHFRGMFJO-SWLSCSKDSA-N 1 1 397.466 4.111 20 0 GIADMO c1cc2c(s1)CCN([C@@H](CN[C@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172421 823871489 /nfs/dbraw/zinc/87/14/89/823871489.db2.gz VZYBKSMJNMVHHY-BDTNDASRSA-N 1 1 381.589 4.064 20 0 GIADMO c1cc2c(s1)CCN([C@@H](CN[C@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172421 823871491 /nfs/dbraw/zinc/87/14/91/823871491.db2.gz VZYBKSMJNMVHHY-BDTNDASRSA-N 1 1 381.589 4.064 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)o2)cc1C ZINC000574961654 823872732 /nfs/dbraw/zinc/87/27/32/823872732.db2.gz GHWARDOALASKER-YYWHXJBOSA-N 1 1 376.504 4.449 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H]3CCN(C)[C@H]3c3ccccc3)o2)cc1C ZINC000574961654 823872736 /nfs/dbraw/zinc/87/27/36/823872736.db2.gz GHWARDOALASKER-YYWHXJBOSA-N 1 1 376.504 4.449 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)n2)ccc1F ZINC000192138109 823874988 /nfs/dbraw/zinc/87/49/88/823874988.db2.gz BIEHFWAMNDTLQG-IEBWSBKVSA-N 1 1 389.377 4.082 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1C1CC1 ZINC000126469035 823876424 /nfs/dbraw/zinc/87/64/24/823876424.db2.gz STBWCFPAFUBELU-AZUAARDMSA-N 1 1 394.563 4.026 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2nc3ccccc3s2)CC1 ZINC000166380595 823876657 /nfs/dbraw/zinc/87/66/57/823876657.db2.gz POJRNHQOIPORAQ-UHFFFAOYSA-N 1 1 379.529 4.281 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166374240 823876688 /nfs/dbraw/zinc/87/66/88/823876688.db2.gz WAVUFPPGCDLBJJ-IAGOWNOFSA-N 1 1 397.519 4.015 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000064738551 823877058 /nfs/dbraw/zinc/87/70/58/823877058.db2.gz YBFBWGJGFSWYAE-UHFFFAOYSA-N 1 1 394.559 4.371 20 0 GIADMO COc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c(OC)c1 ZINC000413958102 823877811 /nfs/dbraw/zinc/87/78/11/823877811.db2.gz NSSUBAHAZIMOAS-INIZCTEOSA-N 1 1 388.895 4.208 20 0 GIADMO c1cnn(Cc2ccc(-c3ccccc3CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166466782 823877808 /nfs/dbraw/zinc/87/78/08/823877808.db2.gz WELITOZONCIFDQ-BJKOFHAPSA-N 1 1 386.543 4.315 20 0 GIADMO c1cnn(Cc2ccc(-c3ccccc3CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166466782 823877815 /nfs/dbraw/zinc/87/78/15/823877815.db2.gz WELITOZONCIFDQ-BJKOFHAPSA-N 1 1 386.543 4.315 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)N(C)CC(F)(F)F ZINC000192144525 823878932 /nfs/dbraw/zinc/87/89/32/823878932.db2.gz JSNSSTSRRJYWON-HNNXBMFYSA-N 1 1 385.474 4.272 20 0 GIADMO Cc1c(Cl)cccc1NNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064755669 823880811 /nfs/dbraw/zinc/88/08/11/823880811.db2.gz LXOPZAKUCOATKK-HNNXBMFYSA-N 1 1 392.956 4.248 20 0 GIADMO COc1cccc([C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(F)ccc2OC)c1 ZINC000166757075 823882287 /nfs/dbraw/zinc/88/22/87/823882287.db2.gz ZOWYQLCFQAFYLW-YYDVJCTNSA-N 1 1 384.495 4.149 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NCC(F)(F)c2ccccc2)CC1)CC1CC1 ZINC000462230440 823884616 /nfs/dbraw/zinc/88/46/16/823884616.db2.gz SWCJGKQKUYMJRF-UHFFFAOYSA-N 1 1 393.522 4.322 20 0 GIADMO Cc1sc(NC(=O)CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(C)c1C ZINC000462231269 823885115 /nfs/dbraw/zinc/88/51/15/823885115.db2.gz KLPSMNILLIZWIN-MRXNPFEDSA-N 1 1 387.549 4.117 20 0 GIADMO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000462231901 823885654 /nfs/dbraw/zinc/88/56/54/823885654.db2.gz YMDHSZKTVUPGTD-SFHVURJKSA-N 1 1 397.485 4.068 20 0 GIADMO O=C(c1cccnc1Nc1ccccc1F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126510674 823887406 /nfs/dbraw/zinc/88/74/06/823887406.db2.gz YITOYNQPDBGSCM-KKSFZXQISA-N 1 1 394.494 4.053 20 0 GIADMO COC(=O)c1sc2ccccc2c1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462237800 823889363 /nfs/dbraw/zinc/88/93/63/823889363.db2.gz PDHHJVGLGZUOAP-UHFFFAOYSA-N 1 1 397.500 4.328 20 0 GIADMO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462244914 823893783 /nfs/dbraw/zinc/89/37/83/823893783.db2.gz IBEITNCLTSWZPX-LBPRGKRZSA-N 1 1 394.302 4.337 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(F)c1 ZINC000167772598 823895099 /nfs/dbraw/zinc/89/50/99/823895099.db2.gz FJEFLALGFZVXDY-HUUCEWRRSA-N 1 1 390.474 4.346 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000126546417 823895278 /nfs/dbraw/zinc/89/52/78/823895278.db2.gz BPBGYSQXMIGIBG-OAQYLSRUSA-N 1 1 394.519 4.067 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc(F)ccc1F ZINC000167774476 823895407 /nfs/dbraw/zinc/89/54/07/823895407.db2.gz PQCQTOVQTYXUBJ-KBPBESRZSA-N 1 1 378.438 4.477 20 0 GIADMO CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462246861 823895816 /nfs/dbraw/zinc/89/58/16/823895816.db2.gz LZEYJMMXFIATBM-QGZVFWFLSA-N 1 1 387.549 4.188 20 0 GIADMO CC1=C(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CCC1 ZINC000414056310 823896771 /nfs/dbraw/zinc/89/67/71/823896771.db2.gz POJRHQYPEFKLKY-UHFFFAOYSA-N 1 1 377.326 4.030 20 0 GIADMO CCOc1ccccc1Oc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)cn1 ZINC000414068079 823900296 /nfs/dbraw/zinc/90/02/96/823900296.db2.gz JMLFSVDHKUPAOH-MRXNPFEDSA-N 1 1 378.476 4.266 20 0 GIADMO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000168245853 823901371 /nfs/dbraw/zinc/90/13/71/823901371.db2.gz ZVBVZWSPUJOQQT-UONOGXRCSA-N 1 1 376.522 4.420 20 0 GIADMO C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)c(Br)c1 ZINC000462257661 823902023 /nfs/dbraw/zinc/90/20/23/823902023.db2.gz QGNACBVFWHNLMB-QIIPPGSGSA-N 1 1 397.332 4.025 20 0 GIADMO COc1cc(F)c([C@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000168558359 823903747 /nfs/dbraw/zinc/90/37/47/823903747.db2.gz FCJIUAVFGBNVRF-CVEARBPZSA-N 1 1 390.499 4.195 20 0 GIADMO Fc1cc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)ccc1OC(F)F ZINC000168541962 823903954 /nfs/dbraw/zinc/90/39/54/823903954.db2.gz WYQNGVRGTOHZIJ-UHFFFAOYSA-N 1 1 391.292 4.047 20 0 GIADMO Cc1cc(CNC(=O)N2CCCCC[C@H]2c2ccncc2)cc(N2CCCC2)[nH+]1 ZINC000462266105 823906023 /nfs/dbraw/zinc/90/60/23/823906023.db2.gz BROGUNYZNUSASN-NRFANRHFSA-N 1 1 393.535 4.212 20 0 GIADMO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414087761 823906734 /nfs/dbraw/zinc/90/67/34/823906734.db2.gz IQMKFPNHNACWAH-HLRQEUIKSA-N 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Cc1cnn([C@H]2CC[N@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097935 823911954 /nfs/dbraw/zinc/91/19/54/823911954.db2.gz UTYFTWSAFCGZDK-LEWJYISDSA-N 1 1 385.471 4.278 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000575102296 823912784 /nfs/dbraw/zinc/91/27/84/823912784.db2.gz HUGNNOXFIDSVCB-JOCHJYFZSA-N 1 1 377.488 4.201 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000575102296 823912793 /nfs/dbraw/zinc/91/27/93/823912793.db2.gz HUGNNOXFIDSVCB-JOCHJYFZSA-N 1 1 377.488 4.201 20 0 GIADMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)N(C)CC(F)(F)F)C1CC1 ZINC000064932737 823913787 /nfs/dbraw/zinc/91/37/87/823913787.db2.gz OOJPJPSBUFVKFZ-NSHDSACASA-N 1 1 382.348 4.252 20 0 GIADMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)N(C)CC(F)(F)F)C1CC1 ZINC000064932737 823913792 /nfs/dbraw/zinc/91/37/92/823913792.db2.gz OOJPJPSBUFVKFZ-NSHDSACASA-N 1 1 382.348 4.252 20 0 GIADMO Brc1cccc([C@@H]([NH2+][C@H]2CCc3cn[nH]c3C2)c2ccccc2)c1 ZINC000414118813 823914005 /nfs/dbraw/zinc/91/40/05/823914005.db2.gz VUUQOIHNKQVDAG-ICSRJNTNSA-N 1 1 382.305 4.409 20 0 GIADMO Brc1cccc([C@@H]([NH2+][C@@H]2CCc3cn[nH]c3C2)c2ccccc2)c1 ZINC000414118814 823914073 /nfs/dbraw/zinc/91/40/73/823914073.db2.gz VUUQOIHNKQVDAG-QUCCMNQESA-N 1 1 382.305 4.409 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000126632196 823915563 /nfs/dbraw/zinc/91/55/63/823915563.db2.gz IJSKUPULDRGVPF-UHFFFAOYSA-N 1 1 383.561 4.469 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1csc(-c2ccccc2)n1 ZINC000414134147 823916879 /nfs/dbraw/zinc/91/68/79/823916879.db2.gz HAEYHFHEKOHJBP-KRWDZBQOSA-N 1 1 379.529 4.498 20 0 GIADMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000575130940 823919659 /nfs/dbraw/zinc/91/96/59/823919659.db2.gz NDLBDBDFJSHIOH-QGZVFWFLSA-N 1 1 377.431 4.337 20 0 GIADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3coc4ccccc34)cc2)C1 ZINC000575145326 823922864 /nfs/dbraw/zinc/92/28/64/823922864.db2.gz JWEBPQWCGKBWFW-KRWDZBQOSA-N 1 1 378.472 4.335 20 0 GIADMO O=C(c1ccc2ncsc2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000170636524 823923317 /nfs/dbraw/zinc/92/33/17/823923317.db2.gz WGKOCWBHINVZKJ-UHFFFAOYSA-N 1 1 379.529 4.077 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CN1CCSC1=S ZINC000170638611 823923865 /nfs/dbraw/zinc/92/38/65/823923865.db2.gz ANIUEJMSWFEYIA-UHFFFAOYSA-N 1 1 375.563 4.277 20 0 GIADMO COCCOc1ccc(CC(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)cc1 ZINC000192267406 823923871 /nfs/dbraw/zinc/92/38/71/823923871.db2.gz GEMUJPFEOZRFFL-UHFFFAOYSA-N 1 1 396.531 4.255 20 0 GIADMO C[C@@H]1C[C@@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186234 823924498 /nfs/dbraw/zinc/92/44/98/823924498.db2.gz PJYRXANXZBUTGV-FJTGNWTPSA-N 1 1 390.506 4.286 20 0 GIADMO C[C@@H]1C[C@@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186234 823924506 /nfs/dbraw/zinc/92/45/06/823924506.db2.gz PJYRXANXZBUTGV-FJTGNWTPSA-N 1 1 390.506 4.286 20 0 GIADMO Cc1cccc(N2C(=O)c3ccccc3NC23CC[NH+](Cc2cccnc2)CC3)c1 ZINC000414189916 823924912 /nfs/dbraw/zinc/92/49/12/823924912.db2.gz RNWKTNSWVOZWSC-UHFFFAOYSA-N 1 1 398.510 4.455 20 0 GIADMO C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1Br ZINC000414196218 823925825 /nfs/dbraw/zinc/92/58/25/823925825.db2.gz XWIYTGIJSLFTCL-JMPLFQLZSA-N 1 1 382.323 4.434 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000170648137 823926536 /nfs/dbraw/zinc/92/65/36/823926536.db2.gz UGTSFHVJUHTAHH-CYBMUJFWSA-N 1 1 379.551 4.218 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000170648137 823926543 /nfs/dbraw/zinc/92/65/43/823926543.db2.gz UGTSFHVJUHTAHH-CYBMUJFWSA-N 1 1 379.551 4.218 20 0 GIADMO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]Cc3cnc(C)o3)s2)cc1OC ZINC000414198717 823926554 /nfs/dbraw/zinc/92/65/54/823926554.db2.gz WIPFMFSWJBWXOD-GFCCVEGCSA-N 1 1 387.505 4.207 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000170648099 823926785 /nfs/dbraw/zinc/92/67/85/823926785.db2.gz PNCXDWVSORMZNH-AWEZNQCLSA-N 1 1 391.899 4.342 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000170648099 823926790 /nfs/dbraw/zinc/92/67/90/823926790.db2.gz PNCXDWVSORMZNH-AWEZNQCLSA-N 1 1 391.899 4.342 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651079 823927179 /nfs/dbraw/zinc/92/71/79/823927179.db2.gz ATDPQGTXPLSPGG-INIZCTEOSA-N 1 1 385.483 4.128 20 0 GIADMO C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126689049 823927714 /nfs/dbraw/zinc/92/77/14/823927714.db2.gz KDLCBXYIOVSOTJ-JXFKEZNVSA-N 1 1 385.552 4.465 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000414204836 823928218 /nfs/dbraw/zinc/92/82/18/823928218.db2.gz BVEGRJIAYQUPQP-UHFFFAOYSA-N 1 1 399.000 4.020 20 0 GIADMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1NC(=O)c1cccs1 ZINC000126693082 823928634 /nfs/dbraw/zinc/92/86/34/823928634.db2.gz NFQYQGRGECWMPO-KRWDZBQOSA-N 1 1 399.560 4.017 20 0 GIADMO 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NWQIPNKHRCDRKG-KBXCAEBGSA-N 1 1 397.897 4.090 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC000192603024 824043626 /nfs/dbraw/zinc/04/36/26/824043626.db2.gz XMWTWLMTTAOSRU-JOCHJYFZSA-N 1 1 389.499 4.043 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC000192603024 824043633 /nfs/dbraw/zinc/04/36/33/824043633.db2.gz XMWTWLMTTAOSRU-JOCHJYFZSA-N 1 1 389.499 4.043 20 0 GIADMO FC(F)(F)COCC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171039062 824044519 /nfs/dbraw/zinc/04/45/19/824044519.db2.gz OGVAMAJZVJHGEA-ZDUSSCGKSA-N 1 1 389.805 4.148 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)CC(F)F)c1 ZINC000414918260 824049933 /nfs/dbraw/zinc/04/99/33/824049933.db2.gz UCDITLURSDCPLZ-CYBMUJFWSA-N 1 1 399.457 4.259 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)CC(F)F)c1 ZINC000414918260 824049937 /nfs/dbraw/zinc/04/99/37/824049937.db2.gz UCDITLURSDCPLZ-CYBMUJFWSA-N 1 1 399.457 4.259 20 0 GIADMO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](CN)c2ccc3ccccc3c2)c1C ZINC000414939857 824052350 /nfs/dbraw/zinc/05/23/50/824052350.db2.gz JXWWCEWIIQRTBV-HXOBKFHXSA-N 1 1 375.516 4.463 20 0 GIADMO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000192637848 824052714 /nfs/dbraw/zinc/05/27/14/824052714.db2.gz GUNVZEQCFQZNET-BMLIUANNSA-N 1 1 386.275 4.100 20 0 GIADMO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2NC1=O ZINC000171066442 824054310 /nfs/dbraw/zinc/05/43/10/824054310.db2.gz FDIXBBAYSFARNS-CQSZACIVSA-N 1 1 398.890 4.154 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000576039383 824055666 /nfs/dbraw/zinc/05/56/66/824055666.db2.gz VREAUIGFRFJSQM-RBUKOAKNSA-N 1 1 397.485 4.273 20 0 GIADMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000010226199 204331531 /nfs/dbraw/zinc/33/15/31/204331531.db2.gz LNOUOQZAYAWUFJ-SFHVURJKSA-N 1 1 378.394 4.490 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000010226199 204331535 /nfs/dbraw/zinc/33/15/35/204331535.db2.gz LNOUOQZAYAWUFJ-SFHVURJKSA-N 1 1 378.394 4.490 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000006910464 206220424 /nfs/dbraw/zinc/22/04/24/206220424.db2.gz RWIBYPJOSVNZQI-UHFFFAOYSA-N 1 1 386.801 4.438 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000006910464 206220427 /nfs/dbraw/zinc/22/04/27/206220427.db2.gz RWIBYPJOSVNZQI-UHFFFAOYSA-N 1 1 386.801 4.438 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CC(F)(F)[C@H]4C3)c2c1C ZINC001164405524 718870468 /nfs/dbraw/zinc/87/04/68/718870468.db2.gz DMEOXKSJIWKBLS-GJZGRUSLSA-N 1 1 392.519 4.385 20 0 GIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC3(C2)CCCOC3)n1 ZINC000673488200 718883439 /nfs/dbraw/zinc/88/34/39/718883439.db2.gz ZPCDKBDYLYMMHX-UHFFFAOYSA-N 1 1 394.544 4.037 20 0 GIADMO FC(F)(c1ccnc(Cl)c1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621304 719054252 /nfs/dbraw/zinc/05/42/52/719054252.db2.gz INZXGUUSESEJFD-AEFFLSMTSA-N 1 1 377.866 4.381 20 0 GIADMO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621977 719057130 /nfs/dbraw/zinc/05/71/30/719057130.db2.gz KJTFXWJFOUTCIU-SJORKVTESA-N 1 1 392.881 4.084 20 0 GIADMO Clc1nnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2sccc21 ZINC001164622850 719066615 /nfs/dbraw/zinc/06/66/15/719066615.db2.gz IZRHERPUDUFEIU-DOTOQJQBSA-N 1 1 384.936 4.446 20 0 GIADMO Clc1ncnc2scc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164626524 719072230 /nfs/dbraw/zinc/07/22/30/719072230.db2.gz OFAMUSDOILYRPV-HZPDHXFCSA-N 1 1 384.936 4.446 20 0 GIADMO Cc1nc(-c2ccccn2)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164623546 719104922 /nfs/dbraw/zinc/10/49/22/719104922.db2.gz DLBDXODRUKZDQD-JTHBVZDNSA-N 1 1 399.542 4.256 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@@H](C)C[N@@H+]1C ZINC001164638862 719205921 /nfs/dbraw/zinc/20/59/21/719205921.db2.gz PRDSPTWHEQBNSN-ZJUUUORDSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)c(Cl)nc3c2)[C@@H](C)C[N@H+]1C ZINC001164638862 719205930 /nfs/dbraw/zinc/20/59/30/719205930.db2.gz PRDSPTWHEQBNSN-ZJUUUORDSA-N 1 1 375.250 4.010 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(F)cc2Cl)CC3)cs1 ZINC001164691982 719807015 /nfs/dbraw/zinc/80/70/15/719807015.db2.gz DHVZIJGLTSIEKQ-UHFFFAOYSA-N 1 1 380.920 4.274 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4c(n2)CCCC4)CC3)cs1 ZINC001164692569 719807178 /nfs/dbraw/zinc/80/71/78/719807178.db2.gz JJLXZMARQMWWEF-UHFFFAOYSA-N 1 1 382.577 4.360 20 0 GIADMO COc1ccc(Cl)c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692591 719809305 /nfs/dbraw/zinc/80/93/05/719809305.db2.gz KITKZFYNEZDKEV-UHFFFAOYSA-N 1 1 392.956 4.144 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4ncsc42)CC3)cs1 ZINC001164693857 719812024 /nfs/dbraw/zinc/81/20/24/719812024.db2.gz ZAZKAHGVUJSNOV-UHFFFAOYSA-N 1 1 385.562 4.091 20 0 GIADMO CCc1cc(Cl)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164703480 719815959 /nfs/dbraw/zinc/81/59/59/719815959.db2.gz VOJFLZJJNDDDIV-UHFFFAOYSA-N 1 1 391.972 4.092 20 0 GIADMO CCc1cc(CC)nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164700712 719816641 /nfs/dbraw/zinc/81/66/41/719816641.db2.gz LPHJVGOGAOTHOG-UHFFFAOYSA-N 1 1 385.581 4.001 20 0 GIADMO c1csc(C[N@H+]2CCOC3(CCN(c4nccc5ccsc54)CC3)C2)c1 ZINC001164695277 719890023 /nfs/dbraw/zinc/89/00/23/719890023.db2.gz LBJOBJHZTGSMKM-UHFFFAOYSA-N 1 1 385.558 4.229 20 0 GIADMO CC(C)(C)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164707298 719910112 /nfs/dbraw/zinc/91/01/12/719910112.db2.gz OVYRNEYWZVRZCI-UHFFFAOYSA-N 1 1 385.577 4.312 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164808608 720080513 /nfs/dbraw/zinc/08/05/13/720080513.db2.gz IIFFKEJIWFEENH-PGRDOPGGSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cccc(C)c31)C2 ZINC001164813040 720194921 /nfs/dbraw/zinc/19/49/21/720194921.db2.gz BZDZVXBGDDRUPN-XXBNENTESA-N 1 1 399.966 4.381 20 0 GIADMO Clc1ncc(-c2ccccc2)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725888 720387803 /nfs/dbraw/zinc/38/78/03/720387803.db2.gz OBXITKJPVUOPQG-PMACEKPBSA-N 1 1 391.906 4.045 20 0 GIADMO CC(C)(C)c1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164734769 720432179 /nfs/dbraw/zinc/43/21/79/720432179.db2.gz UHVZRFLCWAUMDS-MOPGFXCFSA-N 1 1 393.579 4.320 20 0 GIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731647 720488808 /nfs/dbraw/zinc/48/88/08/720488808.db2.gz XEZHYXQYUNQWKS-MOPGFXCFSA-N 1 1 394.906 4.145 20 0 GIADMO Cc1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834434 720523269 /nfs/dbraw/zinc/52/32/69/720523269.db2.gz GJHNABNELMSXGN-QZNHQXDQSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838600 720572712 /nfs/dbraw/zinc/57/27/12/720572712.db2.gz OSAYRQLUZPEILX-FUPPJEDESA-N 1 1 389.547 4.118 20 0 GIADMO Cc1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1Cl ZINC001164843843 720684906 /nfs/dbraw/zinc/68/49/06/720684906.db2.gz RJBKMVMQXOEVJP-LJQANCHMSA-N 1 1 385.939 4.303 20 0 GIADMO CC(C)Oc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839791 720696014 /nfs/dbraw/zinc/69/60/14/720696014.db2.gz BVGPHEDZFZBTKT-OAQYLSRUSA-N 1 1 395.547 4.129 20 0 GIADMO CC(C)Oc1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839791 720696016 /nfs/dbraw/zinc/69/60/16/720696016.db2.gz BVGPHEDZFZBTKT-OAQYLSRUSA-N 1 1 395.547 4.129 20 0 GIADMO CC(C)Oc1cccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842772 720696380 /nfs/dbraw/zinc/69/63/80/720696380.db2.gz NDOAAORTSWKZJY-NRFANRHFSA-N 1 1 395.547 4.129 20 0 GIADMO Cc1cccc2c1nc(Cl)nc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856158 720946799 /nfs/dbraw/zinc/94/67/99/720946799.db2.gz BUWMDOHQVVFMAC-HNNXBMFYSA-N 1 1 398.942 4.210 20 0 GIADMO CSc1cc(Cl)cnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164864175 720992618 /nfs/dbraw/zinc/99/26/18/720992618.db2.gz YRYMIKOREMVRIB-CYBMUJFWSA-N 1 1 379.961 4.075 20 0 GIADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(-c2cccs2)n1 ZINC001164864480 721010366 /nfs/dbraw/zinc/01/03/66/721010366.db2.gz XSXUZHPKGXTYNP-INIZCTEOSA-N 1 1 396.564 4.131 20 0 GIADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@H]3C2)n1 ZINC001164899821 721497726 /nfs/dbraw/zinc/49/77/26/721497726.db2.gz LIFAVQPKPIMROM-IHPCNDPISA-N 1 1 389.971 4.362 20 0 GIADMO Cc1cc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2s1 ZINC001164796334 721498803 /nfs/dbraw/zinc/49/88/03/721498803.db2.gz QGIBNLHZZNUNBV-UHFFFAOYSA-N 1 1 393.560 4.276 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164795446 721501996 /nfs/dbraw/zinc/50/19/96/721501996.db2.gz HEEIYPFYUWIWNM-UHFFFAOYSA-N 1 1 377.536 4.020 20 0 GIADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2[nH]ccc21 ZINC001164905469 721713711 /nfs/dbraw/zinc/71/37/11/721713711.db2.gz GKPQSKIWACPUJK-OAQYLSRUSA-N 1 1 397.473 4.004 20 0 GIADMO Cc1nc2ccsc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024584 721799128 /nfs/dbraw/zinc/79/91/28/721799128.db2.gz MFRMXJNBCYIFBM-QRFRQXIXSA-N 1 1 393.560 4.132 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]21 ZINC001165026165 721804468 /nfs/dbraw/zinc/80/44/68/721804468.db2.gz QAIIJDAXDSVWMB-ODGPQVTHSA-N 1 1 399.542 4.276 20 0 GIADMO Cc1ccc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026339 721806215 /nfs/dbraw/zinc/80/62/15/721806215.db2.gz QSILOAVJIDCWLA-ZEYPLWLESA-N 1 1 387.531 4.070 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4ccsc4cn3)C[C@H]21 ZINC001165026013 721816842 /nfs/dbraw/zinc/81/68/42/721816842.db2.gz OTUIZRXQRSOQDM-MISYRCLQSA-N 1 1 378.545 4.428 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nnc(Cl)c4ccoc43)C[C@@H]21 ZINC001165025962 721817824 /nfs/dbraw/zinc/81/78/24/721817824.db2.gz OMXPJVJLFCONPA-JCGIZDLHSA-N 1 1 397.910 4.008 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2[nH]ccc21 ZINC001165028291 721818157 /nfs/dbraw/zinc/81/81/57/721818157.db2.gz XHBACILAOADBKU-IOMROCGXSA-N 1 1 375.520 4.003 20 0 GIADMO Cc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024888 721820855 /nfs/dbraw/zinc/82/08/55/721820855.db2.gz KUICLRLRPXKJAW-QRFRQXIXSA-N 1 1 393.560 4.132 20 0 GIADMO CCCSc1cncc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027068 721826326 /nfs/dbraw/zinc/82/63/26/721826326.db2.gz RPYJVRTVRDBARQ-IHPCNDPISA-N 1 1 397.592 4.111 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc5occc54)CC3)C2)cc1 ZINC001164938549 721920478 /nfs/dbraw/zinc/92/04/78/721920478.db2.gz PUHVOWFAJCQAGK-UHFFFAOYSA-N 1 1 377.488 4.008 20 0 GIADMO C[N@@H+](Cc1ccc(N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164976079 722165806 /nfs/dbraw/zinc/16/58/06/722165806.db2.gz JOIRGHCJOLLRRT-ISKFKSNPSA-N 1 1 399.579 4.011 20 0 GIADMO COc1cc(Cl)cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994539 722193603 /nfs/dbraw/zinc/19/36/03/722193603.db2.gz NUHSYAQMGHQPBO-HXUWFJFHSA-N 1 1 375.875 4.128 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2ccc(Cl)nn2)C3)c1 ZINC001164995664 722195055 /nfs/dbraw/zinc/19/50/55/722195055.db2.gz WVSYIHMXLOUPBY-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2ccc(Cl)nn2)C3)c1 ZINC001164995664 722195057 /nfs/dbraw/zinc/19/50/57/722195057.db2.gz WVSYIHMXLOUPBY-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cnc(-c4ccco4)cn2)C3)c1 ZINC001164993665 722197984 /nfs/dbraw/zinc/19/79/84/722197984.db2.gz GZVKVBLVTQKKSE-JOCHJYFZSA-N 1 1 378.451 4.121 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4c(F)cccc42)C3)c1 ZINC001164993271 722198279 /nfs/dbraw/zinc/19/82/79/722198279.db2.gz DYFYQSXHWKIYBW-JOCHJYFZSA-N 1 1 380.442 4.153 20 0 GIADMO COc1ccc(Cl)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995435 722200110 /nfs/dbraw/zinc/20/01/10/722200110.db2.gz NSCFBSDNCOIFSX-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO COc1ccc(Cl)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995435 722200114 /nfs/dbraw/zinc/20/01/14/722200114.db2.gz NSCFBSDNCOIFSX-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4ncc(F)cc4n2)C3)c1 ZINC001164994519 722206577 /nfs/dbraw/zinc/20/65/77/722206577.db2.gz IFUWZRDOVHIXIZ-QFIPXVFZSA-N 1 1 380.442 4.153 20 0 GIADMO Cc1csc2cnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164993810 722206797 /nfs/dbraw/zinc/20/67/97/722206797.db2.gz BUMPGSAKZVLUQU-NRFANRHFSA-N 1 1 382.508 4.384 20 0 GIADMO CCCSc1cncc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995640 722209830 /nfs/dbraw/zinc/20/98/30/722209830.db2.gz OTAVDKZJHVJDFS-NRFANRHFSA-N 1 1 386.540 4.363 20 0 GIADMO Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(-c2ccco2)n1 ZINC001164994050 722210042 /nfs/dbraw/zinc/21/00/42/722210042.db2.gz DXQOFTUIYLZQFD-QHCPKHFHSA-N 1 1 392.478 4.429 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(-c4ccco4)nn2)C3)c1 ZINC001164994066 722210270 /nfs/dbraw/zinc/21/02/70/722210270.db2.gz FFRWTUPIFXECCO-QFIPXVFZSA-N 1 1 378.451 4.121 20 0 GIADMO COc1ccnc(Cl)c1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996923 722211371 /nfs/dbraw/zinc/21/13/71/722211371.db2.gz ONKKWNNFDXIRIV-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO COc1ccnc(Cl)c1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996923 722211372 /nfs/dbraw/zinc/21/13/72/722211372.db2.gz ONKKWNNFDXIRIV-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)s2)cc1 ZINC000458476311 823045237 /nfs/dbraw/zinc/04/52/37/823045237.db2.gz AMKZNOMFZNZXNO-JOCHJYFZSA-N 1 1 399.560 4.051 20 0 GIADMO Cc1csc([C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)n1 ZINC000175824679 823048520 /nfs/dbraw/zinc/04/85/20/823048520.db2.gz DGFTWWVUMSQRHA-FXAWDEMLSA-N 1 1 398.576 4.209 20 0 GIADMO COc1ccc(-c2ccncc2)cc1CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187356922 823048896 /nfs/dbraw/zinc/04/88/96/823048896.db2.gz GSTVWWGNAIZDLL-GHTZIAJQSA-N 1 1 379.548 4.500 20 0 GIADMO CCOc1ccccc1CN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000175835380 823051088 /nfs/dbraw/zinc/05/10/88/823051088.db2.gz MZORVKITXWUEMY-KRWDZBQOSA-N 1 1 392.503 4.482 20 0 GIADMO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)C1 ZINC000175836854 823051605 /nfs/dbraw/zinc/05/16/05/823051605.db2.gz OGUZLVPGAAEEEU-KURKYZTESA-N 1 1 394.581 4.283 20 0 GIADMO CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000175837889 823052022 /nfs/dbraw/zinc/05/20/22/823052022.db2.gz OLGKKOODDCBMIX-QGZVFWFLSA-N 1 1 392.503 4.482 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000570553637 823053712 /nfs/dbraw/zinc/05/37/12/823053712.db2.gz XAXLQFQBCLSVQG-HXUWFJFHSA-N 1 1 392.459 4.336 20 0 GIADMO Cc1noc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000570553637 823053722 /nfs/dbraw/zinc/05/37/22/823053722.db2.gz XAXLQFQBCLSVQG-HXUWFJFHSA-N 1 1 392.459 4.336 20 0 GIADMO COCCOCc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)cc1 ZINC000570557900 823054345 /nfs/dbraw/zinc/05/43/45/823054345.db2.gz SFGTVEXBHZWNIV-INIZCTEOSA-N 1 1 383.517 4.219 20 0 GIADMO COCCOCc1ccc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)cc1 ZINC000570557903 823054409 /nfs/dbraw/zinc/05/44/09/823054409.db2.gz SFGTVEXBHZWNIV-MRXNPFEDSA-N 1 1 383.517 4.219 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)Nc1cc(F)ccc1F ZINC000175853259 823056189 /nfs/dbraw/zinc/05/61/89/823056189.db2.gz CHEISVLFRSATPN-YJBOKZPZSA-N 1 1 394.487 4.333 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)Nc1cc(F)ccc1F ZINC000175853259 823056194 /nfs/dbraw/zinc/05/61/94/823056194.db2.gz CHEISVLFRSATPN-YJBOKZPZSA-N 1 1 394.487 4.333 20 0 GIADMO COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)o1 ZINC000187402074 823056356 /nfs/dbraw/zinc/05/63/56/823056356.db2.gz AXVGKVMHCDYQNT-UHFFFAOYSA-N 1 1 389.455 4.218 20 0 GIADMO CC(=O)Nc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)cs1 ZINC000175857118 823056677 /nfs/dbraw/zinc/05/66/77/823056677.db2.gz GZUYVZRUFQZFMR-CVEARBPZSA-N 1 1 379.551 4.031 20 0 GIADMO CC(=O)Nc1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)cs1 ZINC000175857118 823056682 /nfs/dbraw/zinc/05/66/82/823056682.db2.gz GZUYVZRUFQZFMR-CVEARBPZSA-N 1 1 379.551 4.031 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NCc2nc(-c3cccs3)no2)C[C@H](C)O1 ZINC000055869907 823057200 /nfs/dbraw/zinc/05/72/00/823057200.db2.gz ZZVPRDZBKRFYGL-GJZGRUSLSA-N 1 1 384.505 4.019 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(F)c(Cl)c3)CC2)[nH+]c1 ZINC000175860995 823057495 /nfs/dbraw/zinc/05/74/95/823057495.db2.gz RCAQPCNFFMCYDQ-AWEZNQCLSA-N 1 1 390.890 4.212 20 0 GIADMO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cs2)cc1 ZINC000120755757 823057828 /nfs/dbraw/zinc/05/78/28/823057828.db2.gz UQOHPJNADYPYKX-BEFAXECRSA-N 1 1 387.549 4.010 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)C1 ZINC000458590037 823060195 /nfs/dbraw/zinc/06/01/95/823060195.db2.gz XBUPRNBBMQWLSP-VVLHAWIVSA-N 1 1 377.495 4.115 20 0 GIADMO Cc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)c(C)n1 ZINC000187420094 823060302 /nfs/dbraw/zinc/06/03/02/823060302.db2.gz WBHFPJXMVQVWIC-ZDUSSCGKSA-N 1 1 377.282 4.083 20 0 GIADMO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458610044 823063256 /nfs/dbraw/zinc/06/32/56/823063256.db2.gz LWXWLICNZMOVFC-FTRWYGJKSA-N 1 1 397.485 4.325 20 0 GIADMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1ccccc1 ZINC000187434061 823062808 /nfs/dbraw/zinc/06/28/08/823062808.db2.gz SFLYLEHNIGWBKY-KMRXNPHXSA-N 1 1 398.503 4.009 20 0 GIADMO C[C@H]1C[C@@H](CCNC(=O)N2CC(C)(CC(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000458606958 823062910 /nfs/dbraw/zinc/06/29/10/823062910.db2.gz WZBCXAXDFIXKLM-FUHWJXTLSA-N 1 1 397.485 4.271 20 0 GIADMO O=C(CC[N@@H+](Cc1ccco1)Cc1cccs1)N1CCc2sccc2C1 ZINC000055899521 823063823 /nfs/dbraw/zinc/06/38/23/823063823.db2.gz CGAQQGMSIKIYEB-UHFFFAOYSA-N 1 1 386.542 4.380 20 0 GIADMO C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1OC(F)(F)F ZINC000055901105 823063903 /nfs/dbraw/zinc/06/39/03/823063903.db2.gz KYUHYJSZQBKJPU-UHFFFAOYSA-N 1 1 398.450 4.054 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1cccc(-c2cccc(C)c2)c1 ZINC000120788714 823064557 /nfs/dbraw/zinc/06/45/57/823064557.db2.gz BYWKHJRQGDOMNX-UHFFFAOYSA-N 1 1 376.504 4.399 20 0 GIADMO C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458622350 823064979 /nfs/dbraw/zinc/06/49/79/823064979.db2.gz BGJNVCPGKKCPOT-CUSZFKRNSA-N 1 1 389.506 4.450 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(Br)c3ccccc13)CC2 ZINC000570637141 823065009 /nfs/dbraw/zinc/06/50/09/823065009.db2.gz HBWDUDVYPBXDIR-CYBMUJFWSA-N 1 1 384.277 4.308 20 0 GIADMO C[C@H](NC(=O)N1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458622378 823065156 /nfs/dbraw/zinc/06/51/56/823065156.db2.gz BJZDMAFIYTUPEI-SIRPWMCASA-N 1 1 389.506 4.400 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)c3nc(-c4cccnc4)no3)C2)s1 ZINC000570635695 823065205 /nfs/dbraw/zinc/06/52/05/823065205.db2.gz SHDGXARNBHKFLC-IRXDYDNUSA-N 1 1 397.548 4.016 20 0 GIADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000120795499 823065817 /nfs/dbraw/zinc/06/58/17/823065817.db2.gz FDBJLSGTYQDWGA-ORAYPTAESA-N 1 1 396.503 4.311 20 0 GIADMO C[C@H](NC(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458638196 823068040 /nfs/dbraw/zinc/06/80/40/823068040.db2.gz SYCFWHDNIDQVBA-JDFRZJQESA-N 1 1 395.469 4.043 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458638195 823068071 /nfs/dbraw/zinc/06/80/71/823068071.db2.gz SYCFWHDNIDQVBA-DXCKQFNASA-N 1 1 395.469 4.043 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)cc1 ZINC000570661041 823068298 /nfs/dbraw/zinc/06/82/98/823068298.db2.gz UORNSSLHVGUBQT-MQNAVGNWSA-N 1 1 378.516 4.187 20 0 GIADMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120808160 823068425 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O=C(NCc1nccc2ccccc21)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175971891 823085280 /nfs/dbraw/zinc/08/52/80/823085280.db2.gz LZMJVZKLXARUEB-JOCHJYFZSA-N 1 1 377.463 4.045 20 0 GIADMO Cc1cc(CNC(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000458785070 823085464 /nfs/dbraw/zinc/08/54/64/823085464.db2.gz JKRXXZMTVXOLIF-ZMSDIMECSA-N 1 1 398.473 4.251 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000187546969 823086486 /nfs/dbraw/zinc/08/64/86/823086486.db2.gz SGNBUEMLOOWXBM-GOSISDBHSA-N 1 1 379.298 4.089 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)cc1C ZINC000175978156 823087124 /nfs/dbraw/zinc/08/71/24/823087124.db2.gz SOJHWHLPWXDNOE-FQEVSTJZSA-N 1 1 381.520 4.380 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000120926435 823087831 /nfs/dbraw/zinc/08/78/31/823087831.db2.gz YTEQAFZWZABKAM-UHFFFAOYSA-N 1 1 397.538 4.369 20 0 GIADMO O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570825134 823092345 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/nfs/dbraw/zinc/11/76/40/823117640.db2.gz NTXRRQQRGXZSDS-SJLPKXTDSA-N 1 1 398.528 4.308 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+]3C[C@H](c4ccc(C)cc4)C[C@H]3C)nc2c1 ZINC000570997088 823117642 /nfs/dbraw/zinc/11/76/42/823117642.db2.gz NTXRRQQRGXZSDS-SJLPKXTDSA-N 1 1 398.528 4.308 20 0 GIADMO Cc1ccn(-c2ccccc2C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000571016428 823120799 /nfs/dbraw/zinc/12/07/99/823120799.db2.gz NKLANXSFISAPGX-DYESRHJHSA-N 1 1 394.544 4.055 20 0 GIADMO COc1c(Cl)cccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000056287391 823121554 /nfs/dbraw/zinc/12/15/54/823121554.db2.gz CZSUZTSDIWJXFG-GJZGRUSLSA-N 1 1 388.895 4.210 20 0 GIADMO Cc1ccccc1CN(Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459061522 823122218 /nfs/dbraw/zinc/12/22/18/823122218.db2.gz PQUFFACIFOGUTN-NOTZXAQLSA-N 1 1 377.532 4.332 20 0 GIADMO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176114914 823125047 /nfs/dbraw/zinc/12/50/47/823125047.db2.gz XYZLPMCAQJBLAQ-PMVMPFDFSA-N 1 1 396.506 4.074 20 0 GIADMO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176114914 823125050 /nfs/dbraw/zinc/12/50/50/823125050.db2.gz XYZLPMCAQJBLAQ-PMVMPFDFSA-N 1 1 396.506 4.074 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176117607 823126152 /nfs/dbraw/zinc/12/61/52/823126152.db2.gz NOBUOMUDXSGIGG-OXJNMPFZSA-N 1 1 390.449 4.417 20 0 GIADMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ncc(I)s1 ZINC000571086046 823130057 /nfs/dbraw/zinc/13/00/57/823130057.db2.gz AGKQVSRLWJIRJF-ZDUSSCGKSA-N 1 1 386.302 4.201 20 0 GIADMO Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2)cs1 ZINC000176122610 823128128 /nfs/dbraw/zinc/12/81/28/823128128.db2.gz AIHXPDJSGSAOKF-BEFAXECRSA-N 1 1 394.544 4.230 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NCc2nnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000121153007 823128547 /nfs/dbraw/zinc/12/85/47/823128547.db2.gz CFZPFWPIMKZCOE-IRXDYDNUSA-N 1 1 394.544 4.426 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000121162637 823130209 /nfs/dbraw/zinc/13/02/09/823130209.db2.gz MULVACWCDKLGAE-WMZOPIPTSA-N 1 1 382.508 4.094 20 0 GIADMO CC[N@@H+](CCc1nccs1)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000121155452 823129225 /nfs/dbraw/zinc/12/92/25/823129225.db2.gz DFQQJNYVCOVUDG-OAQYLSRUSA-N 1 1 395.528 4.396 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(CN4CCCCC4=O)CC3)o2)cc1C ZINC000121165572 823130809 /nfs/dbraw/zinc/13/08/09/823130809.db2.gz QJKGMMWNRBOTHO-SFHVURJKSA-N 1 1 396.535 4.139 20 0 GIADMO CCC(CC)c1cc(C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)on1 ZINC000121190785 823135342 /nfs/dbraw/zinc/13/53/42/823135342.db2.gz KKDGKNWGPWEPGA-AWEZNQCLSA-N 1 1 379.526 4.191 20 0 GIADMO CCN(C(=O)NC[C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459129112 823131975 /nfs/dbraw/zinc/13/19/75/823131975.db2.gz DGLNSDPFYHYLCK-QKNQBKEWSA-N 1 1 387.568 4.059 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1cccnc1C(F)(F)F)c1ccccc1Cl ZINC000571121270 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NAEAMUHCQBHIGT-MRXNPFEDSA-N 1 1 396.560 4.442 20 0 GIADMO COC(=O)c1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)nc1C1CC1 ZINC000571127170 823136785 /nfs/dbraw/zinc/13/67/85/823136785.db2.gz VHCZDTKCJUINTI-UHFFFAOYSA-N 1 1 382.357 4.193 20 0 GIADMO CC(=O)c1cccc(OCCCC(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000121218059 823140908 /nfs/dbraw/zinc/14/09/08/823140908.db2.gz SXFBETZFVXYVEK-NRFANRHFSA-N 1 1 392.499 4.059 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000459194702 823141570 /nfs/dbraw/zinc/14/15/70/823141570.db2.gz GAMMSQIXAMIPTP-DENIHFKCSA-N 1 1 380.536 4.147 20 0 GIADMO C[C@@H]1C[N@H+](C2CCN(C(=O)CC(C)(C)Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000187830544 823141980 /nfs/dbraw/zinc/14/19/80/823141980.db2.gz SRLCMMZEJNAGGV-QGZVFWFLSA-N 1 1 392.971 4.011 20 0 GIADMO Cc1ncc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)s1 ZINC000056401895 823144030 /nfs/dbraw/zinc/14/40/30/823144030.db2.gz GWBLJBANKPRVNI-MRXNPFEDSA-N 1 1 386.565 4.168 20 0 GIADMO CC(C)(CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000187845477 823145105 /nfs/dbraw/zinc/14/51/05/823145105.db2.gz JBUPEEJVUZYDMC-OAQYLSRUSA-N 1 1 378.495 4.065 20 0 GIADMO CC(C)(C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000187845477 823145114 /nfs/dbraw/zinc/14/51/14/823145114.db2.gz JBUPEEJVUZYDMC-OAQYLSRUSA-N 1 1 378.495 4.065 20 0 GIADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000121272018 823152532 /nfs/dbraw/zinc/15/25/32/823152532.db2.gz URNVFOAURAWMIT-VXGBXAGGSA-N 1 1 387.332 4.313 20 0 GIADMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccccc1-c1ccccc1 ZINC000571255454 823156564 /nfs/dbraw/zinc/15/65/64/823156564.db2.gz VCXNJGKGSHOHLO-MDNUFGMLSA-N 1 1 378.516 4.308 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000571248392 823155338 /nfs/dbraw/zinc/15/53/38/823155338.db2.gz KTBMRXGGKAHYPC-MRXNPFEDSA-N 1 1 388.487 4.042 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NC2CCC(C(F)F)CC2)CC1)CC1CC1 ZINC000459277295 823155542 /nfs/dbraw/zinc/15/55/42/823155542.db2.gz LIRRRMAHKKOCMY-UHFFFAOYSA-N 1 1 385.543 4.354 20 0 GIADMO O=C(C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F ZINC000121287668 823155732 /nfs/dbraw/zinc/15/57/32/823155732.db2.gz VYRKITCGQXALKN-HNNXBMFYSA-N 1 1 380.385 4.348 20 0 GIADMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000176221661 823156056 /nfs/dbraw/zinc/15/60/56/823156056.db2.gz JTDOWZVVUQDIBX-YWZLYKJASA-N 1 1 396.512 4.459 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459321290 823161151 /nfs/dbraw/zinc/16/11/51/823161151.db2.gz ZVBKIZJAEWQYAR-INIZCTEOSA-N 1 1 379.504 4.155 20 0 GIADMO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459320198 823161198 /nfs/dbraw/zinc/16/11/98/823161198.db2.gz RYSMRPYGOOVUNL-JKSUJKDBSA-N 1 1 385.474 4.010 20 0 GIADMO CC(C)[N@H+](Cc1cnc(C2CC2)nc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000459303697 823158507 /nfs/dbraw/zinc/15/85/07/823158507.db2.gz XYRABEYHNRKILW-OAQYLSRUSA-N 1 1 391.515 4.158 20 0 GIADMO COc1cccc(Oc2ccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)c1 ZINC000571278504 823159562 /nfs/dbraw/zinc/15/95/62/823159562.db2.gz QTKKEQDGLPHCRK-AYHJJNSGSA-N 1 1 381.476 4.234 20 0 GIADMO CCCCCC(=O)NC1CC[NH+](Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000459316783 823160282 /nfs/dbraw/zinc/16/02/82/823160282.db2.gz AWGOQXRVVQKPHY-UHFFFAOYSA-N 1 1 388.581 4.243 20 0 GIADMO COc1ccc(OCc2nc(C[NH2+][C@@H]3CCc4cc(N)ccc43)cs2)cc1 ZINC000571299244 823162113 /nfs/dbraw/zinc/16/21/13/823162113.db2.gz NYBLCIPOGWXKBQ-HXUWFJFHSA-N 1 1 381.501 4.090 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(C(F)(F)F)c1 ZINC000121322220 823162969 /nfs/dbraw/zinc/16/29/69/823162969.db2.gz MSTJMCJBLHCCGI-AWEZNQCLSA-N 1 1 387.446 4.204 20 0 GIADMO CC[C@@H]1CN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC[N@H+]1C[C@@H](C)O ZINC000459333281 823162977 /nfs/dbraw/zinc/16/29/77/823162977.db2.gz IISVEANUVPZJMU-DYKDJHDHSA-N 1 1 394.559 4.056 20 0 GIADMO CCOCCOc1c(Cl)cccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176253023 823163502 /nfs/dbraw/zinc/16/35/02/823163502.db2.gz ULVSRNDVVJJWAG-MRXNPFEDSA-N 1 1 394.943 4.348 20 0 GIADMO CC[N@@H+](CCc1cncn1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000459341628 823165509 /nfs/dbraw/zinc/16/55/09/823165509.db2.gz PZJKIRLKSFCXHZ-MRXNPFEDSA-N 1 1 380.355 4.284 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000459357573 823170494 /nfs/dbraw/zinc/17/04/94/823170494.db2.gz OXZLKHNLQKKZKJ-HNNXBMFYSA-N 1 1 383.521 4.222 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000459357573 823170496 /nfs/dbraw/zinc/17/04/96/823170496.db2.gz OXZLKHNLQKKZKJ-HNNXBMFYSA-N 1 1 383.521 4.222 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000459370851 823174774 /nfs/dbraw/zinc/17/47/74/823174774.db2.gz XPJXPDSQWPENPU-ODGPQVTHSA-N 1 1 381.516 4.439 20 0 GIADMO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccccc1Cl ZINC000188042127 823176052 /nfs/dbraw/zinc/17/60/52/823176052.db2.gz JMWKQEFJXICFQX-CVEARBPZSA-N 1 1 388.943 4.204 20 0 GIADMO C[C@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@@H+]1CCC[C@H](C)C1 ZINC000459377606 823176859 /nfs/dbraw/zinc/17/68/59/823176859.db2.gz PFBXUKMJYNIZHI-RBUKOAKNSA-N 1 1 381.568 4.270 20 0 GIADMO C[C@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@H+]1CCC[C@H](C)C1 ZINC000459377606 823176861 /nfs/dbraw/zinc/17/68/61/823176861.db2.gz PFBXUKMJYNIZHI-RBUKOAKNSA-N 1 1 381.568 4.270 20 0 GIADMO COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000571408970 823178842 /nfs/dbraw/zinc/17/88/42/823178842.db2.gz DVCQKHZWJQTJFC-JXFKEZNVSA-N 1 1 389.499 4.307 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384847 823179172 /nfs/dbraw/zinc/17/91/72/823179172.db2.gz YEAQHYSEJYKAHA-WIYYLYMNSA-N 1 1 381.568 4.365 20 0 GIADMO CCN1CC[C@@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384847 823179193 /nfs/dbraw/zinc/17/91/93/823179193.db2.gz YEAQHYSEJYKAHA-WIYYLYMNSA-N 1 1 381.568 4.365 20 0 GIADMO CCN1CC[C@@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C ZINC000459384847 823179196 /nfs/dbraw/zinc/17/91/96/823179196.db2.gz YEAQHYSEJYKAHA-WIYYLYMNSA-N 1 1 381.568 4.365 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000459386613 823179933 /nfs/dbraw/zinc/17/99/33/823179933.db2.gz JJMNAZWSMJHFIB-GOSISDBHSA-N 1 1 398.576 4.163 20 0 GIADMO CCOC(=O)c1noc(C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459397770 823183204 /nfs/dbraw/zinc/18/32/04/823183204.db2.gz JTOAGAWGKRGOIR-CABCVRRESA-N 1 1 397.397 4.033 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3coc(C4CCCC4)n3)CC[N@@H+]2C2CC2)c1 ZINC000571421798 823180353 /nfs/dbraw/zinc/18/03/53/823180353.db2.gz ZQMRAYKBJDZVNR-FPOVZHCZSA-N 1 1 395.503 4.049 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3coc(C4CCCC4)n3)CC[N@H+]2C2CC2)c1 ZINC000571421798 823180355 /nfs/dbraw/zinc/18/03/55/823180355.db2.gz ZQMRAYKBJDZVNR-FPOVZHCZSA-N 1 1 395.503 4.049 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3coc(C4CCCC4)n3)CC[N@@H+]2C2CC2)c1 ZINC000571421802 823180396 /nfs/dbraw/zinc/18/03/96/823180396.db2.gz ZQMRAYKBJDZVNR-TZIWHRDSSA-N 1 1 395.503 4.049 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3coc(C4CCCC4)n3)CC[N@H+]2C2CC2)c1 ZINC000571421802 823180398 /nfs/dbraw/zinc/18/03/98/823180398.db2.gz ZQMRAYKBJDZVNR-TZIWHRDSSA-N 1 1 395.503 4.049 20 0 GIADMO COc1ccc(C[NH2+]Cc2cccc(O)c2Br)c(C(F)(F)F)c1 ZINC000459390412 823181145 /nfs/dbraw/zinc/18/11/45/823181145.db2.gz BEAKWIDVIBGFNR-UHFFFAOYSA-N 1 1 390.199 4.472 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2cc(F)ccc2Br)CCO1 ZINC000459393352 823181718 /nfs/dbraw/zinc/18/17/18/823181718.db2.gz QQXRODXSPMIYRB-CQSZACIVSA-N 1 1 393.300 4.103 20 0 GIADMO CCOC[C@@H]1CC[N@@H+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000176326990 823182627 /nfs/dbraw/zinc/18/26/27/823182627.db2.gz AQUDPPMVGZYKJJ-CYBMUJFWSA-N 1 1 381.339 4.431 20 0 GIADMO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](O)CO[C@@H]1CCCc3ccccc31)CCC2 ZINC000121399639 823177625 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JPCDLECMMZATJL-YQQAZPJKSA-N 1 1 386.467 4.048 20 0 GIADMO Cc1nn(C)c2cc(NC(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)ccc12 ZINC000571463520 823186486 /nfs/dbraw/zinc/18/64/86/823186486.db2.gz SXTIPJUZTDJPIO-KRWDZBQOSA-N 1 1 397.567 4.390 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)C[N@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000121462482 823189069 /nfs/dbraw/zinc/18/90/69/823189069.db2.gz CGIDTSLHTNYUJM-UHFFFAOYSA-N 1 1 383.323 4.193 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000121462482 823189071 /nfs/dbraw/zinc/18/90/71/823189071.db2.gz CGIDTSLHTNYUJM-UHFFFAOYSA-N 1 1 383.323 4.193 20 0 GIADMO CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000176340251 823186728 /nfs/dbraw/zinc/18/67/28/823186728.db2.gz XDBHMXZDYMWKTN-NWDGAFQWSA-N 1 1 378.822 4.044 20 0 GIADMO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000459411946 823187325 /nfs/dbraw/zinc/18/73/25/823187325.db2.gz OTWXIBJHFPRMGT-HXUWFJFHSA-N 1 1 391.471 4.022 20 0 GIADMO Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000459413171 823187393 /nfs/dbraw/zinc/18/73/93/823187393.db2.gz SZIFGAXQSPQJQU-QFIPXVFZSA-N 1 1 378.495 4.133 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2CCc3cccc(Cl)c3C2)cc1)[NH+]1CCOCC1 ZINC000459413317 823187422 /nfs/dbraw/zinc/18/74/22/823187422.db2.gz QVVPKQLXYUJVLB-INIZCTEOSA-N 1 1 399.922 4.323 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000176353462 823189967 /nfs/dbraw/zinc/18/99/67/823189967.db2.gz OMNUHJSAZQTRFF-VVHHDAOASA-N 1 1 386.927 4.416 20 0 GIADMO O=C(NCc1nc(C[NH2+]Cc2ccc(C3CC3)cc2)cs1)c1ccccc1 ZINC000459426564 823190285 /nfs/dbraw/zinc/19/02/85/823190285.db2.gz NCZCSRYVEHQAPF-UHFFFAOYSA-N 1 1 377.513 4.240 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000571487020 823190476 /nfs/dbraw/zinc/19/04/76/823190476.db2.gz VUECXRDAEMHBKG-RDGPPVDQSA-N 1 1 389.971 4.030 20 0 GIADMO CCOc1cc(C[NH2+]Cc2c(F)cccc2OC(F)F)cc(Cl)c1O ZINC000459429950 823190554 /nfs/dbraw/zinc/19/05/54/823190554.db2.gz QOZOWAYJBQDOCS-UHFFFAOYSA-N 1 1 375.774 4.475 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000571487022 823190592 /nfs/dbraw/zinc/19/05/92/823190592.db2.gz VUECXRDAEMHBKG-ZSYWTGECSA-N 1 1 389.971 4.030 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c2C2CC2)cc1Cl ZINC000571489057 823190824 /nfs/dbraw/zinc/19/08/24/823190824.db2.gz WQTQSZCVHUWWET-HNNXBMFYSA-N 1 1 388.943 4.170 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000188140153 823192491 /nfs/dbraw/zinc/19/24/91/823192491.db2.gz XGQWVXGZTYRUPG-CQSZACIVSA-N 1 1 382.430 4.093 20 0 GIADMO CCOc1cccc(CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000121482727 823192563 /nfs/dbraw/zinc/19/25/63/823192563.db2.gz RVNOSKUYNLCXHH-MRXNPFEDSA-N 1 1 378.476 4.140 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)nc3Cl)c2)C[C@H](C)O1 ZINC000121487221 823193062 /nfs/dbraw/zinc/19/30/62/823193062.db2.gz LXSJLSCZJZSZKB-BETUJISGSA-N 1 1 394.302 4.250 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)nc3Cl)c2)C[C@H](C)O1 ZINC000121487221 823193067 /nfs/dbraw/zinc/19/30/67/823193067.db2.gz LXSJLSCZJZSZKB-BETUJISGSA-N 1 1 394.302 4.250 20 0 GIADMO CC(=O)Nc1c(C)ccc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1C ZINC000056690371 823193382 /nfs/dbraw/zinc/19/33/82/823193382.db2.gz ZLNRTPLYZSFGFD-UHFFFAOYSA-N 1 1 396.535 4.424 20 0 GIADMO Fc1ccc(-c2nc(CC[NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)co2)cc1 ZINC000188166263 823196875 /nfs/dbraw/zinc/19/68/75/823196875.db2.gz FZUUSABKMQBVLN-LJQANCHMSA-N 1 1 380.398 4.265 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CCOc1ccccc1-c1ccccc1)c1ccco1 ZINC000121508872 823197237 /nfs/dbraw/zinc/19/72/37/823197237.db2.gz ROQZFEMVTPGQFG-FQEVSTJZSA-N 1 1 378.472 4.135 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1)CC(F)(F)F ZINC000176393623 823197446 /nfs/dbraw/zinc/19/74/46/823197446.db2.gz UQWIILOYMDLGGK-OAHLLOKOSA-N 1 1 397.441 4.056 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1)CC(F)(F)F ZINC000176393661 823197844 /nfs/dbraw/zinc/19/78/44/823197844.db2.gz ZEGXJOFLSRKWEW-AWEZNQCLSA-N 1 1 385.405 4.187 20 0 GIADMO C[C@H]1CN(CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545046 823198396 /nfs/dbraw/zinc/19/83/96/823198396.db2.gz NURBCKLCEVIHIU-HNAYVOBHSA-N 1 1 386.458 4.127 20 0 GIADMO C[C@@H]1CN(CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545042 823198455 /nfs/dbraw/zinc/19/84/55/823198455.db2.gz NURBCKLCEVIHIU-BEFAXECRSA-N 1 1 386.458 4.127 20 0 GIADMO COC(=O)c1cccnc1C[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000459466971 823198627 /nfs/dbraw/zinc/19/86/27/823198627.db2.gz PRPZKPOEMQITDR-UHFFFAOYSA-N 1 1 381.501 4.032 20 0 GIADMO Cc1ccc2snc(C(=O)N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC000571546526 823198849 /nfs/dbraw/zinc/19/88/49/823198849.db2.gz FFAIPWHAPJTVDM-QHCPKHFHSA-N 1 1 391.540 4.343 20 0 GIADMO CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(=O)[nH]1 ZINC000121534981 823201300 /nfs/dbraw/zinc/20/13/00/823201300.db2.gz ADVRDLCQKITDOY-XLIONFOSSA-N 1 1 381.520 4.036 20 0 GIADMO COC(=O)c1cccc(C[NH2+][C@H](COc2c(C)cccc2C)c2ccccc2)n1 ZINC000571549024 823199510 /nfs/dbraw/zinc/19/95/10/823199510.db2.gz QTPYWDCBWBBCMJ-JOCHJYFZSA-N 1 1 390.483 4.395 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1)CC(F)(F)F ZINC000176406446 823201336 /nfs/dbraw/zinc/20/13/36/823201336.db2.gz PKCXADPLGZAFGD-CQSZACIVSA-N 1 1 385.405 4.187 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCOc2ccccc2C(F)(F)F)c2ncc[nH]2)cc1 ZINC000188185354 823200007 /nfs/dbraw/zinc/20/00/07/823200007.db2.gz NHOAMRLYYOFARS-QGZVFWFLSA-N 1 1 379.357 4.326 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(F)c(C)c2)cc(OC)c1OCC(F)F ZINC000571567342 823201497 /nfs/dbraw/zinc/20/14/97/823201497.db2.gz GSXQWOSBXYZCGH-UHFFFAOYSA-N 1 1 383.410 4.427 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC000571573003 823202259 /nfs/dbraw/zinc/20/22/59/823202259.db2.gz JWUCQVOKETULGA-XLIONFOSSA-N 1 1 383.540 4.190 20 0 GIADMO CCOc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)cc(Br)c1O ZINC000459488387 823203020 /nfs/dbraw/zinc/20/30/20/823203020.db2.gz UNTBZTXUPVEDME-NSHDSACASA-N 1 1 385.327 4.245 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)c3ccc(Oc4ccccc4)o3)CC2)[nH+]1 ZINC000176413004 823203021 /nfs/dbraw/zinc/20/30/21/823203021.db2.gz JBUNGQSLKSECMG-UHFFFAOYSA-N 1 1 377.444 4.174 20 0 GIADMO COc1c2ccccc2[nH]c1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000571588198 823204286 /nfs/dbraw/zinc/20/42/86/823204286.db2.gz AADVCKVEEJHREG-QGZVFWFLSA-N 1 1 383.536 4.293 20 0 GIADMO COc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571604792 823206969 /nfs/dbraw/zinc/20/69/69/823206969.db2.gz ZXFQRIDLJXXQBG-HJPURHCSSA-N 1 1 391.471 4.276 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000459509969 823207568 /nfs/dbraw/zinc/20/75/68/823207568.db2.gz LEHHOIDHFSMWQX-QGZVFWFLSA-N 1 1 394.544 4.067 20 0 GIADMO CCc1c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000571609521 823208278 /nfs/dbraw/zinc/20/82/78/823208278.db2.gz SJYSFOFPZXOPMD-HXUWFJFHSA-N 1 1 396.579 4.233 20 0 GIADMO CCOc1cc(C[NH+]2CCC(Nc3nc(C)cs3)CC2)cc(Cl)c1O ZINC000459513884 823208705 /nfs/dbraw/zinc/20/87/05/823208705.db2.gz CNGGQFRANVKGGZ-UHFFFAOYSA-N 1 1 381.929 4.286 20 0 GIADMO Cc1nc(CCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cs1 ZINC000176442982 823208757 /nfs/dbraw/zinc/20/87/57/823208757.db2.gz XGPWMJLIDNCKFC-SEJPIABJSA-N 1 1 383.561 4.086 20 0 GIADMO O=C(Nc1cccc(-c2nccs2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000056778552 823212323 /nfs/dbraw/zinc/21/23/23/823212323.db2.gz MXTPRUSLQBFNGH-UHFFFAOYSA-N 1 1 378.501 4.160 20 0 GIADMO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccsc2Br)CCO1 ZINC000459529658 823212496 /nfs/dbraw/zinc/21/24/96/823212496.db2.gz CNNSPYCFLIKNQW-ZDUSSCGKSA-N 1 1 381.339 4.026 20 0 GIADMO CC(=O)CCc1ccc2oc(C(=O)N3CC[NH2+][C@H](c4ccccc4)C3)c(C)c2c1 ZINC000571639206 823213330 /nfs/dbraw/zinc/21/33/30/823213330.db2.gz JPKYTIMQHBWUIT-NRFANRHFSA-N 1 1 390.483 4.050 20 0 GIADMO O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000571639414 823213664 /nfs/dbraw/zinc/21/36/64/823213664.db2.gz RSMSPAPOKBWJAE-SFHVURJKSA-N 1 1 379.851 4.231 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000121601167 823214005 /nfs/dbraw/zinc/21/40/05/823214005.db2.gz OXHWKQRTSJYVLJ-SFHVURJKSA-N 1 1 394.519 4.038 20 0 GIADMO O=C(COc1ccccc1C[N@H+]1CC2(CCC2)[C@H]1c1ccccc1)N1CCCC1 ZINC000571660991 823215770 /nfs/dbraw/zinc/21/57/70/823215770.db2.gz JBGQUBBUCPWPOM-XMMPIXPASA-N 1 1 390.527 4.415 20 0 GIADMO CN(Cc1ccccc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459543547 823216380 /nfs/dbraw/zinc/21/63/80/823216380.db2.gz MPXKKOGYCHJJNN-LJQANCHMSA-N 1 1 380.536 4.176 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[N@H+]1C1CC1 ZINC000188301128 823216517 /nfs/dbraw/zinc/21/65/17/823216517.db2.gz FCRFJYSDNFDCOK-STQMWFEESA-N 1 1 394.393 4.200 20 0 GIADMO CCOC1CC([N@@H+](C)Cc2cc(Br)c(OC(F)F)c(OC)c2)C1 ZINC000571691439 823219437 /nfs/dbraw/zinc/21/94/37/823219437.db2.gz WCQCSUIAHQTPDW-UHFFFAOYSA-N 1 1 394.256 4.058 20 0 GIADMO CC(C)c1csc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000571690939 823219471 /nfs/dbraw/zinc/21/94/71/823219471.db2.gz PTJURCLIJFAWTD-ROUUACIJSA-N 1 1 384.549 4.252 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(OCC3CC3)cc2)cc1F ZINC000409455089 823222952 /nfs/dbraw/zinc/22/29/52/823222952.db2.gz GDRJXIZBSSAHOA-UHFFFAOYSA-N 1 1 379.435 4.039 20 0 GIADMO Brc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c(N2CCOCC2)c1 ZINC000571697104 823220391 /nfs/dbraw/zinc/22/03/91/823220391.db2.gz PSXCFZSRUIHETD-IBGZPJMESA-N 1 1 391.353 4.050 20 0 GIADMO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nn1C(C)(C)C ZINC000409450983 823221340 /nfs/dbraw/zinc/22/13/40/823221340.db2.gz CQUUEACVCQNJJU-MJGOQNOKSA-N 1 1 382.552 4.327 20 0 GIADMO CCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000056847991 823223170 /nfs/dbraw/zinc/22/31/70/823223170.db2.gz DIZPIAUHYIEGJV-ICSRJNTNSA-N 1 1 385.552 4.038 20 0 GIADMO c1c(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459568089 823222175 /nfs/dbraw/zinc/22/21/75/823222175.db2.gz KJEAFIOIKFKTPO-PKTZIBPZSA-N 1 1 378.520 4.204 20 0 GIADMO c1c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459568089 823222178 /nfs/dbraw/zinc/22/21/78/823222178.db2.gz KJEAFIOIKFKTPO-PKTZIBPZSA-N 1 1 378.520 4.204 20 0 GIADMO CCOc1cc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)cc(Br)c1O ZINC000459568416 823222332 /nfs/dbraw/zinc/22/23/32/823222332.db2.gz WVTNYTPWUBZMSU-QGHHPUGFSA-N 1 1 396.256 4.304 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2sc3nccc(C)c3c2C)cc1F ZINC000409453885 823222362 /nfs/dbraw/zinc/22/23/62/823222362.db2.gz BGIIRXXXFRTCJQ-UHFFFAOYSA-N 1 1 394.475 4.476 20 0 GIADMO CC1(C)CN(Cc2cnc(C3CC3)nc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459570705 823222663 /nfs/dbraw/zinc/22/26/63/823222663.db2.gz NIOFNMCGBXXUTA-QHCPKHFHSA-N 1 1 390.575 4.477 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459552493 823218886 /nfs/dbraw/zinc/21/88/86/823218886.db2.gz ULBGLJDUDZFNEL-JTSKRJEESA-N 1 1 382.552 4.369 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2cc3ccccc3o2)cc1F ZINC000409456139 823223399 /nfs/dbraw/zinc/22/33/99/823223399.db2.gz IMUAWMXNEZVAOC-UHFFFAOYSA-N 1 1 377.419 4.315 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000121654121 823223578 /nfs/dbraw/zinc/22/35/78/823223578.db2.gz SMQLLCABMLGZNQ-CABCVRRESA-N 1 1 378.542 4.173 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2ccc3ccc(Cl)cc32)C1 ZINC000409458057 823223636 /nfs/dbraw/zinc/22/36/36/823223636.db2.gz YUQGLGCKGRLTNF-OXJNMPFZSA-N 1 1 381.907 4.246 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC[C@H]2Oc2ccccc2C)cs1)C1CC1 ZINC000121662738 823225185 /nfs/dbraw/zinc/22/51/85/823225185.db2.gz RFXDCZUSFUBGEP-TZIWHRDSSA-N 1 1 399.560 4.447 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000409463168 823225496 /nfs/dbraw/zinc/22/54/96/823225496.db2.gz CZRQOXKMCOEXOE-TZIWHRDSSA-N 1 1 397.563 4.252 20 0 GIADMO Cc1ccc(C(=O)C2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000056868797 823225970 /nfs/dbraw/zinc/22/59/70/823225970.db2.gz OAJIGFNBJXOQJB-HXUWFJFHSA-N 1 1 399.579 4.254 20 0 GIADMO CCOc1ccc(-c2nc(C)c(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)s2)cc1 ZINC000409488352 823232844 /nfs/dbraw/zinc/23/28/44/823232844.db2.gz XIZPIENRTDNQMW-KRWDZBQOSA-N 1 1 399.516 4.143 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(Cc2ccccc2F)CC1 ZINC000188380996 823230140 /nfs/dbraw/zinc/23/01/40/823230140.db2.gz GBAGDBWVVNDFPC-FRIKZZABSA-N 1 1 392.518 4.460 20 0 GIADMO C[NH+](C)Cc1cnc(CN2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)s1 ZINC000459624063 823231705 /nfs/dbraw/zinc/23/17/05/823231705.db2.gz TWGZKFACUSRSKW-IBGZPJMESA-N 1 1 399.539 4.461 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21)c1nc2c(s1)CCC2 ZINC000459631501 823233097 /nfs/dbraw/zinc/23/30/97/823233097.db2.gz CJQWGGHPHOZNHP-KBPBESRZSA-N 1 1 387.574 4.200 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1nc2c(s1)CCC2 ZINC000459631504 823233106 /nfs/dbraw/zinc/23/31/06/823233106.db2.gz CJQWGGHPHOZNHP-ZIAGYGMSSA-N 1 1 387.574 4.200 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccco1 ZINC000409489319 823233191 /nfs/dbraw/zinc/23/31/91/823233191.db2.gz ZCDGSXKFADXAAT-SFHVURJKSA-N 1 1 399.491 4.139 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000459634418 823234183 /nfs/dbraw/zinc/23/41/83/823234183.db2.gz MYJSNNYYFKJQKL-KCQAQPDRSA-N 1 1 375.563 4.096 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1nc2c(s1)CCC2 ZINC000459634392 823234203 /nfs/dbraw/zinc/23/42/03/823234203.db2.gz MUHSTZDSXGCDAL-SJCJKPOMSA-N 1 1 377.579 4.248 20 0 GIADMO CN(CC(F)(F)F)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000409511332 823237465 /nfs/dbraw/zinc/23/74/65/823237465.db2.gz DKIYTFAGHDIFIB-UHFFFAOYSA-N 1 1 393.453 4.235 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459640529 823235698 /nfs/dbraw/zinc/23/56/98/823235698.db2.gz LMPGLHGDYUUEFW-WBVHZDCISA-N 1 1 384.442 4.003 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459640529 823235702 /nfs/dbraw/zinc/23/57/02/823235702.db2.gz LMPGLHGDYUUEFW-WBVHZDCISA-N 1 1 384.442 4.003 20 0 GIADMO C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000571803567 823236655 /nfs/dbraw/zinc/23/66/55/823236655.db2.gz DPQHDEVOGYYNLS-VPKVUBIPSA-N 1 1 385.508 4.433 20 0 GIADMO C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000571803567 823236660 /nfs/dbraw/zinc/23/66/60/823236660.db2.gz DPQHDEVOGYYNLS-VPKVUBIPSA-N 1 1 385.508 4.433 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000121722397 823237264 /nfs/dbraw/zinc/23/72/64/823237264.db2.gz CADSCLGFXSJRCY-DYXWJJEUSA-N 1 1 398.938 4.093 20 0 GIADMO Cc1ccsc1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121748794 823242343 /nfs/dbraw/zinc/24/23/43/823242343.db2.gz XSWINLVTCLKNDO-ZDUSSCGKSA-N 1 1 380.439 4.498 20 0 GIADMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)N1CCCCCC1 ZINC000056992788 823238499 /nfs/dbraw/zinc/23/84/99/823238499.db2.gz YSMMBSXAMVJZHG-UHFFFAOYSA-N 1 1 383.458 4.255 20 0 GIADMO CC(C)CCN(C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992529 823238579 /nfs/dbraw/zinc/23/85/79/823238579.db2.gz ZXJYZAZJONDCGG-UHFFFAOYSA-N 1 1 385.474 4.357 20 0 GIADMO COC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000571837149 823242533 /nfs/dbraw/zinc/24/25/33/823242533.db2.gz BJLDIZYUGUQNKH-YJYMSZOUSA-N 1 1 396.865 4.115 20 0 GIADMO CC(C)n1cc(NC(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000571826277 823240251 /nfs/dbraw/zinc/24/02/51/823240251.db2.gz XENBOWYHADQMFG-FQEVSTJZSA-N 1 1 383.540 4.059 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c[nH]c(C(F)(F)F)c2)C1 ZINC000571828774 823240793 /nfs/dbraw/zinc/24/07/93/823240793.db2.gz JKGAOODXHCYJSA-AWEZNQCLSA-N 1 1 379.426 4.195 20 0 GIADMO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1c[nH]c2ccccc12 ZINC000459658886 823242875 /nfs/dbraw/zinc/24/28/75/823242875.db2.gz JILDGVPBUNZGHS-SFHVURJKSA-N 1 1 380.410 4.032 20 0 GIADMO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1c[nH]c2ccccc12 ZINC000459658886 823242883 /nfs/dbraw/zinc/24/28/83/823242883.db2.gz JILDGVPBUNZGHS-SFHVURJKSA-N 1 1 380.410 4.032 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)c2cnc(Cl)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000176582563 823241609 /nfs/dbraw/zinc/24/16/09/823241609.db2.gz GBZZBEYZKUEQHY-CZUORRHYSA-N 1 1 378.303 4.171 20 0 GIADMO CCCOC1(c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)CCCCC1 ZINC000571840569 823242985 /nfs/dbraw/zinc/24/29/85/823242985.db2.gz DPICWYMJRFVBHY-IBGZPJMESA-N 1 1 384.524 4.430 20 0 GIADMO Brc1cc(Br)cc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000571841567 823243425 /nfs/dbraw/zinc/24/34/25/823243425.db2.gz VGJMTKBZGNQVNG-LBPRGKRZSA-N 1 1 399.130 4.314 20 0 GIADMO Brc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000571841567 823243428 /nfs/dbraw/zinc/24/34/28/823243428.db2.gz VGJMTKBZGNQVNG-LBPRGKRZSA-N 1 1 399.130 4.314 20 0 GIADMO Brc1cc(Br)cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000571841567 823243431 /nfs/dbraw/zinc/24/34/31/823243431.db2.gz VGJMTKBZGNQVNG-LBPRGKRZSA-N 1 1 399.130 4.314 20 0 GIADMO CCOc1ccccc1OCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459660873 823243510 /nfs/dbraw/zinc/24/35/10/823243510.db2.gz LTFXSMZXNHQRQR-SFHVURJKSA-N 1 1 387.442 4.145 20 0 GIADMO Fc1ccccc1-n1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459662110 823244075 /nfs/dbraw/zinc/24/40/75/823244075.db2.gz NGHOIMMTSTWTKF-SFHVURJKSA-N 1 1 397.416 4.192 20 0 GIADMO Fc1ccccc1-n1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459662110 823244082 /nfs/dbraw/zinc/24/40/82/823244082.db2.gz NGHOIMMTSTWTKF-SFHVURJKSA-N 1 1 397.416 4.192 20 0 GIADMO Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000571844703 823244403 /nfs/dbraw/zinc/24/44/03/823244403.db2.gz HNUKUXSBHQHUFF-AWEZNQCLSA-N 1 1 394.441 4.081 20 0 GIADMO COCc1nc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000571845084 823244594 /nfs/dbraw/zinc/24/45/94/823244594.db2.gz UGWCLROFYUBZDD-SESVDKBCSA-N 1 1 385.577 4.070 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459664787 823245032 /nfs/dbraw/zinc/24/50/32/823245032.db2.gz PZZMNIMRFKHCPR-YJBOKZPZSA-N 1 1 398.469 4.257 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459664787 823245034 /nfs/dbraw/zinc/24/50/34/823245034.db2.gz PZZMNIMRFKHCPR-YJBOKZPZSA-N 1 1 398.469 4.257 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3)n2)CC12CCOCC2 ZINC000459665559 823245199 /nfs/dbraw/zinc/24/51/99/823245199.db2.gz QLZHCCWPDGZYSC-SFHVURJKSA-N 1 1 379.426 4.053 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)CC12CCOCC2 ZINC000459665559 823245206 /nfs/dbraw/zinc/24/52/06/823245206.db2.gz QLZHCCWPDGZYSC-SFHVURJKSA-N 1 1 379.426 4.053 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@H+](Cc2nccn2Cc2ccccc2)CC12CCOCC2 ZINC000459667059 823246119 /nfs/dbraw/zinc/24/61/19/823246119.db2.gz RQAMSXYUEBKWLA-GOSISDBHSA-N 1 1 393.453 4.112 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)CC12CCOCC2 ZINC000459667059 823246122 /nfs/dbraw/zinc/24/61/22/823246122.db2.gz RQAMSXYUEBKWLA-GOSISDBHSA-N 1 1 393.453 4.112 20 0 GIADMO Cc1cccc2nc(C3CCN(C(=O)[C@@H](c4ccccc4)[NH+](C)C)CC3)oc21 ZINC000188491264 823250019 /nfs/dbraw/zinc/25/00/19/823250019.db2.gz HEIWFSPKHBLOGR-HXUWFJFHSA-N 1 1 377.488 4.145 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)c2oc3ccccc3c2C)cn1 ZINC000057118227 823250717 /nfs/dbraw/zinc/25/07/17/823250717.db2.gz YECCWJACYBTDOW-HNNXBMFYSA-N 1 1 389.459 4.191 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3cccc4c3CCCC4)c2)CCO1 ZINC000409599746 823258361 /nfs/dbraw/zinc/25/83/61/823258361.db2.gz QJKMAICBSLGXJF-SFHVURJKSA-N 1 1 393.531 4.108 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3cccc4c3CCCC4)c2)CCO1 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FFJRKBVOFGWCLI-UHFFFAOYSA-N 1 1 395.547 4.325 20 0 GIADMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000007251319 817804570 /nfs/dbraw/zinc/80/45/70/817804570.db2.gz UCEQTDDIOMRIOT-QFIPXVFZSA-N 1 1 380.536 4.181 20 0 GIADMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000007251319 817804581 /nfs/dbraw/zinc/80/45/81/817804581.db2.gz UCEQTDDIOMRIOT-QFIPXVFZSA-N 1 1 380.536 4.181 20 0 GIADMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)ccc1OC(F)F ZINC000007266348 817807146 /nfs/dbraw/zinc/80/71/46/817807146.db2.gz JEOLZUCDVOWJRD-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)ccc1OC(F)F ZINC000007266348 817807159 /nfs/dbraw/zinc/80/71/59/817807159.db2.gz JEOLZUCDVOWJRD-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000572142705 823289609 /nfs/dbraw/zinc/28/96/09/823289609.db2.gz GNDZUEADWFOYIB-VQTJNVASSA-N 1 1 379.504 4.071 20 0 GIADMO CCC(CC)N(CC)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000460134789 823292192 /nfs/dbraw/zinc/29/21/92/823292192.db2.gz LFETUBHAIWJHMY-QZTJIDSGSA-N 1 1 375.557 4.016 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007421167 817837215 /nfs/dbraw/zinc/83/72/15/817837215.db2.gz MYIXLFHBYVGTIV-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007421167 817837220 /nfs/dbraw/zinc/83/72/20/817837220.db2.gz MYIXLFHBYVGTIV-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000007452453 817844662 /nfs/dbraw/zinc/84/46/62/817844662.db2.gz JYYGIIWKKXQUKX-UHFFFAOYSA-N 1 1 384.520 4.208 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000007452453 817844667 /nfs/dbraw/zinc/84/46/67/817844667.db2.gz JYYGIIWKKXQUKX-UHFFFAOYSA-N 1 1 384.520 4.208 20 0 GIADMO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000007452077 817844758 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Cc1c2ccccc2oc1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176807068 823297887 /nfs/dbraw/zinc/29/78/87/823297887.db2.gz OWPPBIAONHUWPC-FQEVSTJZSA-N 1 1 391.515 4.405 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000409741414 823296610 /nfs/dbraw/zinc/29/66/10/823296610.db2.gz AHESNILBYVRKGU-QGZVFWFLSA-N 1 1 381.520 4.368 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(OC[C@H]4CCCO4)CC3)o2)cc1C ZINC000122062641 823300724 /nfs/dbraw/zinc/30/07/24/823300724.db2.gz ZUJAIWUOWUZLRB-YLJYHZDGSA-N 1 1 385.508 4.074 20 0 GIADMO COC(C)(C)c1nc(C)c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000572209843 823301177 /nfs/dbraw/zinc/30/11/77/823301177.db2.gz NOVVPZTUSQAVSB-KRWDZBQOSA-N 1 1 393.597 4.108 20 0 GIADMO COCC[N@H+](C)CCCC1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000122076115 823302484 /nfs/dbraw/zinc/30/24/84/823302484.db2.gz FKQVKZCBCFRVMR-LJQANCHMSA-N 1 1 385.552 4.473 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000122076115 823302491 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GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000176827333 823303754 /nfs/dbraw/zinc/30/37/54/823303754.db2.gz SCSUGFJQRYLGRH-GOSISDBHSA-N 1 1 396.491 4.320 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(Cl)c(F)c2)cc1F ZINC000409773660 823304179 /nfs/dbraw/zinc/30/41/79/823304179.db2.gz SMXSKSNMKDXFME-UHFFFAOYSA-N 1 1 376.794 4.434 20 0 GIADMO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000008092493 817998981 /nfs/dbraw/zinc/99/89/81/817998981.db2.gz IYVMECVAPAKVQQ-UHFFFAOYSA-N 1 1 384.829 4.150 20 0 GIADMO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000008092493 817998983 /nfs/dbraw/zinc/99/89/83/817998983.db2.gz IYVMECVAPAKVQQ-UHFFFAOYSA-N 1 1 384.829 4.150 20 0 GIADMO C[C@@H](N(C)Cn1nc(C[NH+]2CCCC2)n(-c2ccccc2)c1=S)C1(C)CC1 ZINC000176830552 823304539 /nfs/dbraw/zinc/30/45/39/823304539.db2.gz ZSNJXXZQPCYCCW-QGZVFWFLSA-N 1 1 385.581 4.077 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000008121919 818003818 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Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000011209625 818062620 /nfs/dbraw/zinc/06/26/20/818062620.db2.gz VSMIZBFRQXDAMI-HNNXBMFYSA-N 1 1 375.310 4.067 20 0 GIADMO Cn1cc(C[C@H]2CC[N@@H+](CCSc3ccnc4cc(Cl)ccc43)C2)cn1 ZINC000122122504 823309454 /nfs/dbraw/zinc/30/94/54/823309454.db2.gz LHLVFSSXYNNEPR-OAHLLOKOSA-N 1 1 386.952 4.278 20 0 GIADMO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000011261909 818067088 /nfs/dbraw/zinc/06/70/88/818067088.db2.gz FQBJMJQRWSFDRL-SGTLLEGYSA-N 1 1 391.284 4.259 20 0 GIADMO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000176856229 823310981 /nfs/dbraw/zinc/31/09/81/823310981.db2.gz CAGLNFAEKXWROA-QFIPXVFZSA-N 1 1 394.563 4.330 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)C[C@@H]3c3ccccc3F)CC2)[nH+]1 ZINC000176856279 823311205 /nfs/dbraw/zinc/31/12/05/823311205.db2.gz MYFCMZGQRHSZNM-HRAATJIYSA-N 1 1 396.510 4.291 20 0 GIADMO CCN(c1nnc(-c2ccccn2)n1CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460194266 823312255 /nfs/dbraw/zinc/31/22/55/823312255.db2.gz BGJNQWWAGVAQHD-QUCCMNQESA-N 1 1 390.535 4.022 20 0 GIADMO COCc1ccccc1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000057587136 823312249 /nfs/dbraw/zinc/31/22/49/823312249.db2.gz OCPQBHAFYTWNFZ-KDURUIRLSA-N 1 1 380.532 4.241 20 0 GIADMO Cc1cccc(NC(=O)NC(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1C ZINC000572280269 823312321 /nfs/dbraw/zinc/31/23/21/823312321.db2.gz PCKYVOZKTWBSKC-GASCZTMLSA-N 1 1 385.430 4.004 20 0 GIADMO CCOc1ccc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000057592463 823312943 /nfs/dbraw/zinc/31/29/43/823312943.db2.gz MDRUZAJRRANMNX-SFHVURJKSA-N 1 1 383.536 4.486 20 0 GIADMO O=C([C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011763935 818118106 /nfs/dbraw/zinc/11/81/06/818118106.db2.gz GHFFRMNEWNWZLR-UXHICEINSA-N 1 1 388.433 4.153 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000409813074 823314401 /nfs/dbraw/zinc/31/44/01/823314401.db2.gz RYURTBGFNVLZCE-ISKFKSNPSA-N 1 1 376.544 4.031 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291354 823314465 /nfs/dbraw/zinc/31/44/65/823314465.db2.gz KHYWENGFEYQDGC-SFHVURJKSA-N 1 1 396.560 4.103 20 0 GIADMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291354 823314503 /nfs/dbraw/zinc/31/45/03/823314503.db2.gz KHYWENGFEYQDGC-SFHVURJKSA-N 1 1 396.560 4.103 20 0 GIADMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCc3nc(-c4ccccc4)no3)C2)s1 ZINC000572291354 823314511 /nfs/dbraw/zinc/31/45/11/823314511.db2.gz KHYWENGFEYQDGC-SFHVURJKSA-N 1 1 396.560 4.103 20 0 GIADMO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)o1 ZINC000572296915 823315699 /nfs/dbraw/zinc/31/56/99/823315699.db2.gz ZHZNNWYGIPQVRJ-HNNXBMFYSA-N 1 1 385.851 4.030 20 0 GIADMO O=C(CCCC1CCOCC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000409817813 823315730 /nfs/dbraw/zinc/31/57/30/823315730.db2.gz AYJYLOHJXBPVPX-PKTZIBPZSA-N 1 1 384.564 4.096 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)n1 ZINC000122176311 823317154 /nfs/dbraw/zinc/31/71/54/823317154.db2.gz NDPAFRIMDJRPOA-HNNXBMFYSA-N 1 1 398.557 4.426 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)n1 ZINC000122176311 823317160 /nfs/dbraw/zinc/31/71/60/823317160.db2.gz NDPAFRIMDJRPOA-HNNXBMFYSA-N 1 1 398.557 4.426 20 0 GIADMO CCn1c(-c2cc(C)oc2C)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460207577 823317365 /nfs/dbraw/zinc/31/73/65/823317365.db2.gz BSRMMLSQZMZURW-UHFFFAOYSA-N 1 1 397.498 4.026 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(C)c(C)oc2-c2ccccc2)[C@H](C)C1 ZINC000188856468 823317893 /nfs/dbraw/zinc/31/78/93/823317893.db2.gz HXLBYQJTOSXEKC-UTKZUKDTSA-N 1 1 398.547 4.430 20 0 GIADMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(F)c(F)c1 ZINC000460210718 823318366 /nfs/dbraw/zinc/31/83/66/823318366.db2.gz OBGJUUSHAYDQJR-OHNRDTAOSA-N 1 1 378.488 4.329 20 0 GIADMO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000572313014 823318386 /nfs/dbraw/zinc/31/83/86/823318386.db2.gz KQRVYRVOBAHVRI-OALUTQOASA-N 1 1 390.314 4.010 20 0 GIADMO COc1ccc([C@@H](CNCc2ccccc2Br)[NH+]2CCCC2)cc1 ZINC000057681720 823320934 /nfs/dbraw/zinc/32/09/34/823320934.db2.gz BJQRVLAKASUDPD-HXUWFJFHSA-N 1 1 389.337 4.384 20 0 GIADMO Brc1ccccc1-c1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000572327097 823321143 /nfs/dbraw/zinc/32/11/43/823321143.db2.gz UQYFGVLFAMDATR-INIZCTEOSA-N 1 1 382.305 4.486 20 0 GIADMO COc1ccc2c(CC(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)coc2c1 ZINC000014628793 818255291 /nfs/dbraw/zinc/25/52/91/818255291.db2.gz RFXPJWGLQJAMGH-IBGZPJMESA-N 1 1 386.879 4.056 20 0 GIADMO C[C@@H](CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)[N@@H+](C)C1CC1 ZINC000057705916 823323649 /nfs/dbraw/zinc/32/36/49/823323649.db2.gz VGQZNRKFQUIUCS-NSHDSACASA-N 1 1 398.359 4.258 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000409848243 823324981 /nfs/dbraw/zinc/32/49/81/823324981.db2.gz ISBKGCOCGYQZGQ-JXYJOFSCSA-N 1 1 378.516 4.458 20 0 GIADMO Cc1ccc(C(C)(C)CC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000409849704 823325422 /nfs/dbraw/zinc/32/54/22/823325422.db2.gz PSDKWDHQVDGINA-HXUWFJFHSA-N 1 1 394.559 4.200 20 0 GIADMO Cc1ccc(C(C)(C)CC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000409849704 823325425 /nfs/dbraw/zinc/32/54/25/823325425.db2.gz PSDKWDHQVDGINA-HXUWFJFHSA-N 1 1 394.559 4.200 20 0 GIADMO CN(C)C(=O)Sc1cccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c1 ZINC000176926200 823325959 /nfs/dbraw/zinc/32/59/59/823325959.db2.gz ASMVEDQBNYBCTM-NRFANRHFSA-N 1 1 384.545 4.332 20 0 GIADMO CC(C)c1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)n2)cc1 ZINC000015297715 818308288 /nfs/dbraw/zinc/30/82/88/818308288.db2.gz CIINHRNYILPKBV-UHFFFAOYSA-N 1 1 396.535 4.085 20 0 GIADMO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000015301011 818310185 /nfs/dbraw/zinc/31/01/85/818310185.db2.gz OGOAQBMEXHPSKP-HXUWFJFHSA-N 1 1 380.488 4.036 20 0 GIADMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000015301011 818310192 /nfs/dbraw/zinc/31/01/92/818310192.db2.gz OGOAQBMEXHPSKP-HXUWFJFHSA-N 1 1 380.488 4.036 20 0 GIADMO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000015302647 818310687 /nfs/dbraw/zinc/31/06/87/818310687.db2.gz URILTGMFCSSKPE-AWEZNQCLSA-N 1 1 380.410 4.023 20 0 GIADMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000015302647 818310694 /nfs/dbraw/zinc/31/06/94/818310694.db2.gz URILTGMFCSSKPE-AWEZNQCLSA-N 1 1 380.410 4.023 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000015312396 818311761 /nfs/dbraw/zinc/31/17/61/818311761.db2.gz RUDOLONSHFBALH-NRFANRHFSA-N 1 1 382.504 4.282 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000015312396 818311765 /nfs/dbraw/zinc/31/17/65/818311765.db2.gz RUDOLONSHFBALH-NRFANRHFSA-N 1 1 382.504 4.282 20 0 GIADMO COc1ccc2cc(C[N@H+](C)CC(=O)N[C@@H](C)c3ccccc3OC)ccc2c1 ZINC000015370521 818318578 /nfs/dbraw/zinc/31/85/78/818318578.db2.gz YXWAOYVBSHMBTO-KRWDZBQOSA-N 1 1 392.499 4.166 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)CC(=O)N[C@@H](C)c3ccccc3OC)ccc2c1 ZINC000015370521 818318587 /nfs/dbraw/zinc/31/85/87/818318587.db2.gz YXWAOYVBSHMBTO-KRWDZBQOSA-N 1 1 392.499 4.166 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000015372325 818319210 /nfs/dbraw/zinc/31/92/10/818319210.db2.gz CTUKGEWTNZQDEK-UWJYYQICSA-N 1 1 382.504 4.108 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000015372325 818319217 /nfs/dbraw/zinc/31/92/17/818319217.db2.gz CTUKGEWTNZQDEK-UWJYYQICSA-N 1 1 382.504 4.108 20 0 GIADMO C[C@H](NC(=O)N1CCC(c2ccsc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000188919774 823328533 /nfs/dbraw/zinc/32/85/33/823328533.db2.gz MRQRAJUTTAHZAU-FUHWJXTLSA-N 1 1 375.582 4.290 20 0 GIADMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000015504515 818332297 /nfs/dbraw/zinc/33/22/97/818332297.db2.gz BQMMFOJWRMCTAP-GOSISDBHSA-N 1 1 380.536 4.428 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000015509683 818332811 /nfs/dbraw/zinc/33/28/11/818332811.db2.gz NHHMPPIFVPPCDZ-NEPJUHHUSA-N 1 1 387.505 4.030 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H]3c3cccn3C)cc(=O)oc2c1 ZINC000015521862 818333970 /nfs/dbraw/zinc/33/39/70/818333970.db2.gz RVEDKVQOHKRQCF-IBGZPJMESA-N 1 1 395.459 4.037 20 0 GIADMO Cc1ccnc(-n2c(=O)c3ccccc3nc2SCC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000057763658 823329727 /nfs/dbraw/zinc/32/97/27/823329727.db2.gz SKUMMFUNMZHZNC-KRWDZBQOSA-N 1 1 394.544 4.056 20 0 GIADMO CCCn1c(C)c(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c2cc(OC)ccc21 ZINC000122283137 823332125 /nfs/dbraw/zinc/33/21/25/823332125.db2.gz YAZGLUMAQJCKFM-JXFKEZNVSA-N 1 1 385.552 4.171 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@@H](c3cccs3)[NH+](C)C)[nH]c2c1 ZINC000057774262 823331212 /nfs/dbraw/zinc/33/12/12/823331212.db2.gz JOGMHYDAADKOMU-ROUUACIJSA-N 1 1 397.548 4.082 20 0 GIADMO COc1ccc([C@@H](CNC(=O)c2sc(Cl)nc2C)[NH+]2CCCCC2)cc1 ZINC000176952904 823333266 /nfs/dbraw/zinc/33/32/66/823333266.db2.gz LOCZKZPKYWXYEI-MRXNPFEDSA-N 1 1 393.940 4.071 20 0 GIADMO CSc1ccc(C[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)s1 ZINC000572413205 823335042 /nfs/dbraw/zinc/33/50/42/823335042.db2.gz RXWYNUBUCUJXOT-INIZCTEOSA-N 1 1 376.591 4.460 20 0 GIADMO CCN(c1nnc([C@@H]2OCC[C@@H]2C)n1CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460266444 823335069 /nfs/dbraw/zinc/33/50/69/823335069.db2.gz KEMBZVNVPBNCJL-IZZBFERCSA-N 1 1 397.567 4.057 20 0 GIADMO CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1ccccc1 ZINC000016337020 818425954 /nfs/dbraw/zinc/42/59/54/818425954.db2.gz DGALSAQCXBSYAX-DEOSSOPVSA-N 1 1 396.531 4.183 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)C1 ZINC000016335274 818426176 /nfs/dbraw/zinc/42/61/76/818426176.db2.gz ZIMRKIIDDDFLRR-HLLBOEOZSA-N 1 1 387.574 4.465 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000016376968 818430952 /nfs/dbraw/zinc/43/09/52/818430952.db2.gz GRHSQHAQHDSHOI-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000016376968 818430957 /nfs/dbraw/zinc/43/09/57/818430957.db2.gz GRHSQHAQHDSHOI-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1Cl ZINC000016422086 818441143 /nfs/dbraw/zinc/44/11/43/818441143.db2.gz HGRWWSKTZDUZFY-CQSZACIVSA-N 1 1 378.925 4.400 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1Cl ZINC000016422086 818441150 /nfs/dbraw/zinc/44/11/50/818441150.db2.gz HGRWWSKTZDUZFY-CQSZACIVSA-N 1 1 378.925 4.400 20 0 GIADMO C[N@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccccc1SC(F)F ZINC000016421501 818441496 /nfs/dbraw/zinc/44/14/96/818441496.db2.gz BQWXLBVUVSJJPV-UHFFFAOYSA-N 1 1 384.423 4.090 20 0 GIADMO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)Nc1ccccc1SC(F)F ZINC000016421501 818441502 /nfs/dbraw/zinc/44/15/02/818441502.db2.gz BQWXLBVUVSJJPV-UHFFFAOYSA-N 1 1 384.423 4.090 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCc3cc(N)ccc32)cc1 ZINC000572424881 823336697 /nfs/dbraw/zinc/33/66/97/823336697.db2.gz WJZDCFQTMMIMDG-SBUREZEXSA-N 1 1 392.547 4.130 20 0 GIADMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000016562490 818454711 /nfs/dbraw/zinc/45/47/11/818454711.db2.gz VUJFNLLMYQWDFS-UHFFFAOYSA-N 1 1 376.884 4.126 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000016562490 818454718 /nfs/dbraw/zinc/45/47/18/818454718.db2.gz VUJFNLLMYQWDFS-UHFFFAOYSA-N 1 1 376.884 4.126 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC ZINC000016590750 818456982 /nfs/dbraw/zinc/45/69/82/818456982.db2.gz KKZITPDVGIHBNJ-MRXNPFEDSA-N 1 1 384.520 4.460 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC ZINC000016590750 818456984 /nfs/dbraw/zinc/45/69/84/818456984.db2.gz KKZITPDVGIHBNJ-MRXNPFEDSA-N 1 1 384.520 4.460 20 0 GIADMO CC[N@@H+]1CC[C@@H](NC(=O)CCCC2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409896763 823338602 /nfs/dbraw/zinc/33/86/02/823338602.db2.gz LLPUYDAZVTWUGG-TZIWHRDSSA-N 1 1 396.934 4.328 20 0 GIADMO CC[N@H+]1CC[C@@H](NC(=O)CCCC2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409896763 823338609 /nfs/dbraw/zinc/33/86/09/823338609.db2.gz LLPUYDAZVTWUGG-TZIWHRDSSA-N 1 1 396.934 4.328 20 0 GIADMO Fc1ccc(Cn2cc(CNCc3ccc(C[NH+]4CCCCC4)cc3)cn2)cc1 ZINC000189009114 823341721 /nfs/dbraw/zinc/34/17/21/823341721.db2.gz GYCWXFHKSVVSPG-UHFFFAOYSA-N 1 1 392.522 4.346 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000057874055 823343433 /nfs/dbraw/zinc/34/34/33/823343433.db2.gz PMIORJMSMUPQJR-LLVKDONJSA-N 1 1 380.275 4.241 20 0 GIADMO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]Cc1nc(N)c2ccccc2n1 ZINC000572462028 823344684 /nfs/dbraw/zinc/34/46/84/823344684.db2.gz CBJRXJMMPWBXLV-SFHVURJKSA-N 1 1 397.320 4.218 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000176997658 823346005 /nfs/dbraw/zinc/34/60/05/823346005.db2.gz MNLAAJZIONUQNV-MRXNPFEDSA-N 1 1 381.480 4.327 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000176997641 823346090 /nfs/dbraw/zinc/34/60/90/823346090.db2.gz MNLAAJZIONUQNV-INIZCTEOSA-N 1 1 381.480 4.327 20 0 GIADMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000572471589 823346202 /nfs/dbraw/zinc/34/62/02/823346202.db2.gz SJQARFTZLBTXFX-OAHLLOKOSA-N 1 1 387.480 4.345 20 0 GIADMO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177013374 823349487 /nfs/dbraw/zinc/34/94/87/823349487.db2.gz DBGMRXBCBRLCMG-GOSISDBHSA-N 1 1 386.536 4.164 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC000189039876 823346553 /nfs/dbraw/zinc/34/65/53/823346553.db2.gz XLPAYDHQQZWVFY-PXAZEXFGSA-N 1 1 396.384 4.018 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 ZINC000018904945 818580228 /nfs/dbraw/zinc/58/02/28/818580228.db2.gz VYRJNLJMSFNEPM-UHFFFAOYSA-N 1 1 381.501 4.198 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 ZINC000018904945 818580234 /nfs/dbraw/zinc/58/02/34/818580234.db2.gz VYRJNLJMSFNEPM-UHFFFAOYSA-N 1 1 381.501 4.198 20 0 GIADMO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000019540214 818593798 /nfs/dbraw/zinc/59/37/98/818593798.db2.gz DFUVGYCFLDURMX-KRWDZBQOSA-N 1 1 379.529 4.046 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ocnc3-c3ccccc3)C2)s1 ZINC000572489080 823348520 /nfs/dbraw/zinc/34/85/20/823348520.db2.gz BQFBJQXGGCTMMV-QGZVFWFLSA-N 1 1 395.528 4.306 20 0 GIADMO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)COCc2ccccc2OC)cc1 ZINC000057974221 823352067 /nfs/dbraw/zinc/35/20/67/823352067.db2.gz RRJZFHUWNWFZGT-GMAHTHKFSA-N 1 1 399.531 4.199 20 0 GIADMO c1sc2ncnc(N3CC[NH+](Cc4ccncc4)CC3)c2c1-c1ccccc1 ZINC000020668866 818628612 /nfs/dbraw/zinc/62/86/12/818628612.db2.gz GQYRDUXNXNAUJQ-UHFFFAOYSA-N 1 1 387.512 4.076 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000572518555 823353091 /nfs/dbraw/zinc/35/30/91/823353091.db2.gz DHAMNFXUDOPVOQ-APWZRJJASA-N 1 1 378.438 4.359 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(OCCCOC)CC1 ZINC000122432270 823353264 /nfs/dbraw/zinc/35/32/64/823353264.db2.gz MRMKMDVJQTZALL-ROUUACIJSA-N 1 1 376.541 4.045 20 0 GIADMO COc1ccc(CN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)C2CC2)cc1 ZINC000020947615 818642386 /nfs/dbraw/zinc/64/23/86/818642386.db2.gz VNPNMWQDQBRTOS-QHCPKHFHSA-N 1 1 394.515 4.032 20 0 GIADMO C[C@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000460323611 823353635 /nfs/dbraw/zinc/35/36/35/823353635.db2.gz HVIKSTKJQSMAAA-FPOVZHCZSA-N 1 1 377.532 4.018 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1Br ZINC000057992227 823354022 /nfs/dbraw/zinc/35/40/22/823354022.db2.gz ZSNXTLHYBWFSOH-INIZCTEOSA-N 1 1 395.272 4.138 20 0 GIADMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(C3CCC3)c2)[C@@H]1c1cnn(C)c1 ZINC000409958983 823354345 /nfs/dbraw/zinc/35/43/45/823354345.db2.gz OSDBXIYFKRCLMH-JTHBVZDNSA-N 1 1 394.563 4.233 20 0 GIADMO C[N@@H+](CCC1CCOCC1)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000177020938 823351010 /nfs/dbraw/zinc/35/10/10/823351010.db2.gz UYCQCQLCGCKPFJ-UHFFFAOYSA-N 1 1 378.822 4.046 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)[C@H](C)C1 ZINC000122458885 823357530 /nfs/dbraw/zinc/35/75/30/823357530.db2.gz ZJOCPVMXVFEVRH-OCCSQVGLSA-N 1 1 397.997 4.256 20 0 GIADMO CCn1ncc2ccc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC000177057544 823361238 /nfs/dbraw/zinc/36/12/38/823361238.db2.gz XOYGYUVNUGONJA-DYESRHJHSA-N 1 1 391.519 4.231 20 0 GIADMO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000021672866 818723665 /nfs/dbraw/zinc/72/36/65/818723665.db2.gz KUVDFPNXVBQTRP-HNNXBMFYSA-N 1 1 380.410 4.352 20 0 GIADMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000021672866 818723672 /nfs/dbraw/zinc/72/36/72/818723672.db2.gz KUVDFPNXVBQTRP-HNNXBMFYSA-N 1 1 380.410 4.352 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C[C@H](C)c3c(C)noc3C)C2)s1 ZINC000572556191 823359971 /nfs/dbraw/zinc/35/99/71/823359971.db2.gz AXBIQTRAIHYEJQ-KSSFIOAISA-N 1 1 389.565 4.135 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058075763 823360352 /nfs/dbraw/zinc/36/03/52/823360352.db2.gz BIIXVJSEJHCHQG-UHFFFAOYSA-N 1 1 375.472 4.010 20 0 GIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(OC3CCCC3)cc2)C[C@H](C)O1 ZINC000058087533 823360756 /nfs/dbraw/zinc/36/07/56/823360756.db2.gz UMZYSBCZZQAYSP-IRXDYDNUSA-N 1 1 389.540 4.017 20 0 GIADMO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)c12 ZINC000409978876 823360975 /nfs/dbraw/zinc/36/09/75/823360975.db2.gz RRQUYFKPQXMJKJ-QGZVFWFLSA-N 1 1 392.503 4.048 20 0 GIADMO CS[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000460354082 823362246 /nfs/dbraw/zinc/36/22/46/823362246.db2.gz SATAXRKPQXEWRA-XZOQPEGZSA-N 1 1 396.600 4.304 20 0 GIADMO CS[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000460354082 823362253 /nfs/dbraw/zinc/36/22/53/823362253.db2.gz SATAXRKPQXEWRA-XZOQPEGZSA-N 1 1 396.600 4.304 20 0 GIADMO CCOCc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000177067258 823363554 /nfs/dbraw/zinc/36/35/54/823363554.db2.gz 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C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000572563078 823361715 /nfs/dbraw/zinc/36/17/15/823361715.db2.gz OFNPHZSMWYVGJL-ZBFHGGJFSA-N 1 1 377.410 4.307 20 0 GIADMO Cc1csc(C2([NH2+][C@@H](C)C(=O)Nc3ccc(Br)cc3)CCC2)n1 ZINC000460354085 823361897 /nfs/dbraw/zinc/36/18/97/823361897.db2.gz SBLRGRNQWLTDIO-LBPRGKRZSA-N 1 1 394.338 4.210 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000122533620 823368597 /nfs/dbraw/zinc/36/85/97/823368597.db2.gz YBMFCZZEQSOXQG-AWEZNQCLSA-N 1 1 393.915 4.099 20 0 GIADMO Cc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)n(C(C)(C)C)n1 ZINC000122536364 823368827 /nfs/dbraw/zinc/36/88/27/823368827.db2.gz JBYNDFINWPAIGM-JOCHJYFZSA-N 1 1 394.494 4.403 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000177092306 823369287 /nfs/dbraw/zinc/36/92/87/823369287.db2.gz LQGGRRQSKDCZFE-UTKZUKDTSA-N 1 1 389.503 4.251 20 0 GIADMO Cc1cc2oc(=O)cc(CN3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c2cc1C ZINC000022837161 818865789 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COc1ccc(-c2cc(NC(=O)Cn3cc[nH+]c3C)ccc2OC(F)F)cc1 ZINC000029937940 820551487 /nfs/dbraw/zinc/55/14/87/820551487.db2.gz VQYQDJGVUXBZIY-UHFFFAOYSA-N 1 1 387.386 4.107 20 0 GIADMO O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000030034805 820572500 /nfs/dbraw/zinc/57/25/00/820572500.db2.gz KAPNNDGQOZQWJM-UHFFFAOYSA-N 1 1 395.890 4.343 20 0 GIADMO O=C(Nc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1)c1ccccc1 ZINC000573355243 823483732 /nfs/dbraw/zinc/48/37/32/823483732.db2.gz IXAUVEVXUZEHJL-YTFSRNRJSA-N 1 1 377.532 4.339 20 0 GIADMO CC[N@@H+](Cc1cc(=O)n2ccsc2n1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123309267 823494344 /nfs/dbraw/zinc/49/43/44/823494344.db2.gz JEKMITFDEYFHPE-GFCCVEGCSA-N 1 1 381.423 4.358 20 0 GIADMO O=C(C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)N1CCc2sccc2C1 ZINC000059387335 823494709 /nfs/dbraw/zinc/49/47/09/823494709.db2.gz FMLFSJCYVACBRD-UHFFFAOYSA-N 1 1 394.462 4.316 20 0 GIADMO O=C(C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)N1CCc2sccc2C1 ZINC000059387335 823494711 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C[C@@H]1CN(Cc2cnc3ccccc3c2)CC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000410422051 823492647 /nfs/dbraw/zinc/49/26/47/823492647.db2.gz UXXQOVNMYBCQLR-LJQANCHMSA-N 1 1 382.511 4.489 20 0 GIADMO C[C@@H]1CN(Cc2cnc3ccccc3c2)CC[N@H+]1Cc1cnc2ccccc2c1 ZINC000410422051 823492650 /nfs/dbraw/zinc/49/26/50/823492650.db2.gz UXXQOVNMYBCQLR-LJQANCHMSA-N 1 1 382.511 4.489 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc(OCc4cccs4)c3)sc2C1 ZINC000030560425 820640584 /nfs/dbraw/zinc/64/05/84/820640584.db2.gz ASZLDKDBSQBHQL-UHFFFAOYSA-N 1 1 399.541 4.414 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3cccc(OCc4cccs4)c3)sc2C1 ZINC000030560425 820640588 /nfs/dbraw/zinc/64/05/88/820640588.db2.gz ASZLDKDBSQBHQL-UHFFFAOYSA-N 1 1 399.541 4.414 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)Nc1ccc(N2CCCC2)cc1 ZINC000059404630 823495531 /nfs/dbraw/zinc/49/55/31/823495531.db2.gz AAWFTXCOJURGRJ-JOCHJYFZSA-N 1 1 381.495 4.072 20 0 GIADMO O=C(C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1)NCc1ccco1 ZINC000030642462 820656991 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1 396.531 4.217 20 0 GIADMO CCOc1ccccc1NC(=O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189807562 823498370 /nfs/dbraw/zinc/49/83/70/823498370.db2.gz FNUQISFDMKMALO-UHFFFAOYSA-N 1 1 393.487 4.353 20 0 GIADMO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000030959237 820711675 /nfs/dbraw/zinc/71/16/75/820711675.db2.gz MZCDOOSYURVMHX-INIZCTEOSA-N 1 1 397.519 4.236 20 0 GIADMO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000030959237 820711680 /nfs/dbraw/zinc/71/16/80/820711680.db2.gz MZCDOOSYURVMHX-INIZCTEOSA-N 1 1 397.519 4.236 20 0 GIADMO Fc1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)ccc1Br ZINC000177600022 823499043 /nfs/dbraw/zinc/49/90/43/823499043.db2.gz WHLFNTGARKISCH-INIZCTEOSA-N 1 1 386.305 4.138 20 0 GIADMO CCCN(C[C@H]1CCCCO1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123345331 823499478 /nfs/dbraw/zinc/49/94/78/823499478.db2.gz QLTNKNCHJTZUFF-LAUBAEHRSA-N 1 1 384.524 4.232 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 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OAPQIVIMRSZCEP-GOSISDBHSA-N 1 1 389.503 4.202 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000060061570 823506407 /nfs/dbraw/zinc/50/64/07/823506407.db2.gz IRNMMBBOJLIFFK-OPAMFIHVSA-N 1 1 394.515 4.033 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1F ZINC000060047016 823506019 /nfs/dbraw/zinc/50/60/19/823506019.db2.gz GMDJCQVRLKYFPD-UHFFFAOYSA-N 1 1 376.435 4.050 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)N[C@@H](C)c2nnnn2C2CCCCC2)cc1 ZINC000189858743 823506942 /nfs/dbraw/zinc/50/69/42/823506942.db2.gz QPQRAALSCMXCIE-HOTGVXAUSA-N 1 1 379.512 4.084 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000060092947 823507742 /nfs/dbraw/zinc/50/77/42/823507742.db2.gz NYWWPZVXUKAYOT-INIZCTEOSA-N 1 1 388.943 4.076 20 0 GIADMO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031566059 820827346 /nfs/dbraw/zinc/82/73/46/820827346.db2.gz CEICXHXCVYWHIB-QGZVFWFLSA-N 1 1 377.315 4.317 20 0 GIADMO COCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000189869426 823508493 /nfs/dbraw/zinc/50/84/93/823508493.db2.gz GAFCKFHCBTYZJE-PMACEKPBSA-N 1 1 387.911 4.096 20 0 GIADMO COCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000189869426 823508495 /nfs/dbraw/zinc/50/84/95/823508495.db2.gz GAFCKFHCBTYZJE-PMACEKPBSA-N 1 1 387.911 4.096 20 0 GIADMO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000060105729 823508651 /nfs/dbraw/zinc/50/86/51/823508651.db2.gz WMDNKPDHXZFMRG-LJQANCHMSA-N 1 1 392.455 4.459 20 0 GIADMO COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000060105729 823508654 /nfs/dbraw/zinc/50/86/54/823508654.db2.gz WMDNKPDHXZFMRG-LJQANCHMSA-N 1 1 392.455 4.459 20 0 GIADMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000177657479 823508842 /nfs/dbraw/zinc/50/88/42/823508842.db2.gz BGZVZQRZIIAELT-ROUUACIJSA-N 1 1 381.520 4.188 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000060207765 823512059 /nfs/dbraw/zinc/51/20/59/823512059.db2.gz AYBKRTMXLRXMOV-OAHLLOKOSA-N 1 1 387.351 4.389 20 0 GIADMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000177657864 823509105 /nfs/dbraw/zinc/50/91/05/823509105.db2.gz BZRQKLYYHWSVQE-ZDUSSCGKSA-N 1 1 390.915 4.432 20 0 GIADMO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000177661888 823509775 /nfs/dbraw/zinc/50/97/75/823509775.db2.gz WBSFRYCCUBSBIU-MRXNPFEDSA-N 1 1 381.520 4.334 20 0 GIADMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000177663279 823509918 /nfs/dbraw/zinc/50/99/18/823509918.db2.gz DCTIDCCMIGNBJX-HNNXBMFYSA-N 1 1 389.565 4.166 20 0 GIADMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000177668320 823510862 /nfs/dbraw/zinc/51/08/62/823510862.db2.gz VFDXPBBDIAWDEJ-UHFFFAOYSA-N 1 1 397.425 4.471 20 0 GIADMO C[C@H](CNC(=O)c1cc(Cl)sc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000031963205 820880134 /nfs/dbraw/zinc/88/01/34/820880134.db2.gz IZHPJJHIIQGSKV-SECBINFHSA-N 1 1 375.346 4.293 20 0 GIADMO C[C@H](CNC(=O)c1cc(Cl)sc1Cl)[N@H+]1CCc2sccc2C1 ZINC000031963205 820880148 /nfs/dbraw/zinc/88/01/48/820880148.db2.gz IZHPJJHIIQGSKV-SECBINFHSA-N 1 1 375.346 4.293 20 0 GIADMO C[C@@H](CNC(=O)CSCc1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000031963654 820880273 /nfs/dbraw/zinc/88/02/73/820880273.db2.gz LTDUQKJKIWRWCY-AWEZNQCLSA-N 1 1 394.993 4.198 20 0 GIADMO C[C@@H](CNC(=O)CSCc1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000031963654 820880283 /nfs/dbraw/zinc/88/02/83/820880283.db2.gz LTDUQKJKIWRWCY-AWEZNQCLSA-N 1 1 394.993 4.198 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1cccc(-n2ccnc2)c1 ZINC000189911457 823513062 /nfs/dbraw/zinc/51/30/62/823513062.db2.gz XJRMFTYVBJDMJV-OAHLLOKOSA-N 1 1 379.414 4.187 20 0 GIADMO CC[C@@H](C(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1)c1ccc(F)cc1 ZINC000123531151 823518291 /nfs/dbraw/zinc/51/82/91/823518291.db2.gz YTEYAWSYGHSSIH-HXUWFJFHSA-N 1 1 389.540 4.113 20 0 GIADMO O=C(NCCSc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244804 823513261 /nfs/dbraw/zinc/51/32/61/823513261.db2.gz ACHXLGNUZGJPCQ-KRWDZBQOSA-N 1 1 389.590 4.052 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000177728094 823517770 /nfs/dbraw/zinc/51/77/70/823517770.db2.gz MWFOHQVCVQXLQB-JMGYQRAPSA-N 1 1 395.524 4.212 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000177728094 823517772 /nfs/dbraw/zinc/51/77/72/823517772.db2.gz MWFOHQVCVQXLQB-JMGYQRAPSA-N 1 1 395.524 4.212 20 0 GIADMO Cc1c(O)ccc2c(C[N@H+](Cc3cccc(F)c3)C[C@H]3CCCO3)cc(=O)oc12 ZINC000060269493 823513864 /nfs/dbraw/zinc/51/38/64/823513864.db2.gz ZVVOVUPDSRJSOK-LJQANCHMSA-N 1 1 397.446 4.127 20 0 GIADMO Cc1nc(-c2ccccc2)sc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032400411 820934488 /nfs/dbraw/zinc/93/44/88/820934488.db2.gz UDFBQHRRQFLICT-UHFFFAOYSA-N 1 1 391.540 4.297 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+]1CCC2(CCC2)C1 ZINC000123508565 823515720 /nfs/dbraw/zinc/51/57/20/823515720.db2.gz HGUODPWFOVXYEJ-HNNXBMFYSA-N 1 1 383.517 4.203 20 0 GIADMO COC(=O)[C@](C)(C[NH2+][C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1)c1ccccc1 ZINC000189940528 823516243 /nfs/dbraw/zinc/51/62/43/823516243.db2.gz NVJPAYITDFFNHX-GAJHUEQPSA-N 1 1 393.487 4.135 20 0 GIADMO CC[C@H](CNC(=O)/C=C/c1ccc2ccccc2n1)[N@H+]1CCc2ccccc2C1 ZINC000032446254 820945906 /nfs/dbraw/zinc/94/59/06/820945906.db2.gz ADDXFKPPMHFWPJ-YAOQVBECSA-N 1 1 385.511 4.201 20 0 GIADMO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc2cccnc21 ZINC000410816329 823516454 /nfs/dbraw/zinc/51/64/54/823516454.db2.gz XORWGGFXZMFULK-HUUCEWRRSA-N 1 1 379.426 4.106 20 0 GIADMO FC(F)(F)[C@@]1(c2nc(Cc3ccccc3)no2)CC[N@@H+](Cc2ccccc2)C1 ZINC000177721178 823516567 /nfs/dbraw/zinc/51/65/67/823516567.db2.gz PILTYCJAOYEQGG-FQEVSTJZSA-N 1 1 387.405 4.366 20 0 GIADMO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)c2cc1C ZINC000177726172 823517264 /nfs/dbraw/zinc/51/72/64/823517264.db2.gz YUKLXMLYXBOOBR-JWIGPWBQSA-N 1 1 383.513 4.340 20 0 GIADMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)c2cc1C ZINC000177726172 823517267 /nfs/dbraw/zinc/51/72/67/823517267.db2.gz YUKLXMLYXBOOBR-JWIGPWBQSA-N 1 1 383.513 4.340 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000189953890 823517525 /nfs/dbraw/zinc/51/75/25/823517525.db2.gz CXVUQDVQDHTADJ-LJQANCHMSA-N 1 1 375.557 4.121 20 0 GIADMO CC(C)NC(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032513446 820963984 /nfs/dbraw/zinc/96/39/84/820963984.db2.gz QWAQNNAUTZSOMI-UHFFFAOYSA-N 1 1 396.922 4.149 20 0 GIADMO CC(C)NC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032513446 820963988 /nfs/dbraw/zinc/96/39/88/820963988.db2.gz QWAQNNAUTZSOMI-UHFFFAOYSA-N 1 1 396.922 4.149 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000189966831 823519085 /nfs/dbraw/zinc/51/90/85/823519085.db2.gz WKEXJTLFNAPPJN-GOSISDBHSA-N 1 1 387.568 4.480 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)[NH+](C)C ZINC000032695192 820992714 /nfs/dbraw/zinc/99/27/14/820992714.db2.gz CHGBGZJWTFIDSP-HSZRJFAPSA-N 1 1 388.511 4.319 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1cccc(F)c1 ZINC000032728857 820997878 /nfs/dbraw/zinc/99/78/78/820997878.db2.gz SJXOOQSUWDCEGE-JOCHJYFZSA-N 1 1 396.506 4.087 20 0 GIADMO CC(C)c1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c2cnn(C(C)C)c2n1 ZINC000032732989 820999390 /nfs/dbraw/zinc/99/93/90/820999390.db2.gz SLMPUXUCDHEQNA-IRXDYDNUSA-N 1 1 385.556 4.128 20 0 GIADMO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000032737036 821000997 /nfs/dbraw/zinc/00/09/97/821000997.db2.gz RNBCWKMHYIHXMP-ZWKOTPCHSA-N 1 1 398.551 4.172 20 0 GIADMO CCOC(=O)[C@@](C)(C[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1)c1ccccc1 ZINC000189980920 823521088 /nfs/dbraw/zinc/52/10/88/823521088.db2.gz XBGJCWAZBZAGQP-SBUREZEXSA-N 1 1 393.487 4.217 20 0 GIADMO O=C(Nc1ccccc1)c1cccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123584480 823523840 /nfs/dbraw/zinc/52/38/40/823523840.db2.gz SKOUSUDKANZPSF-YADHBBJMSA-N 1 1 396.556 4.425 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000177758874 823521716 /nfs/dbraw/zinc/52/17/16/823521716.db2.gz IRLRKINHDWPSPZ-KGLIPLIRSA-N 1 1 395.981 4.153 20 0 GIADMO CC(C)[N@@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1cccnc1 ZINC000411406198 823570805 /nfs/dbraw/zinc/57/08/05/823570805.db2.gz FGVZZRZGQGMFAI-UHFFFAOYSA-N 1 1 376.298 4.083 20 0 GIADMO CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccc(F)cc1 ZINC000460849594 823528154 /nfs/dbraw/zinc/52/81/54/823528154.db2.gz WWCSHYAYPFPDRE-QFIPXVFZSA-N 1 1 384.495 4.062 20 0 GIADMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(F)c(F)c1F ZINC000036099659 821069273 /nfs/dbraw/zinc/06/92/73/821069273.db2.gz PPQGEOQAROGNKT-MRXNPFEDSA-N 1 1 382.813 4.324 20 0 GIADMO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000036684443 821075174 /nfs/dbraw/zinc/07/51/74/821075174.db2.gz HIPLQEJNLSITNK-AEFFLSMTSA-N 1 1 390.911 4.352 20 0 GIADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(COc2ccc(F)cc2)o1 ZINC000036697691 821076581 /nfs/dbraw/zinc/07/65/81/821076581.db2.gz XYRVFVDNILQKSR-IBGZPJMESA-N 1 1 394.446 4.002 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000036700509 821077120 /nfs/dbraw/zinc/07/71/20/821077120.db2.gz GVPAFXZPJKALIK-GOSISDBHSA-N 1 1 383.879 4.336 20 0 GIADMO CCOc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000060414248 823524876 /nfs/dbraw/zinc/52/48/76/823524876.db2.gz NHPYBPJRUADXJX-GOSISDBHSA-N 1 1 396.531 4.256 20 0 GIADMO CCN(C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000460834315 823525222 /nfs/dbraw/zinc/52/52/22/823525222.db2.gz AHAAMMXVQCNZHO-NFBKMPQASA-N 1 1 387.568 4.030 20 0 GIADMO c1ccc(C[NH+]2CCOCC2)c(CNc2ncnc3sc4c(c32)CCCC4)c1 ZINC000038444120 821096654 /nfs/dbraw/zinc/09/66/54/821096654.db2.gz AUHVQUQNCJJCJX-UHFFFAOYSA-N 1 1 394.544 4.014 20 0 GIADMO O=c1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccc(O)cc2o1 ZINC000038658340 821098739 /nfs/dbraw/zinc/09/87/39/821098739.db2.gz OOLGVPYRAFWNAH-CQSZACIVSA-N 1 1 392.480 4.488 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000177794644 823526897 /nfs/dbraw/zinc/52/68/97/823526897.db2.gz FUOLTOTZWWSRCN-INIZCTEOSA-N 1 1 379.495 4.151 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC000123625716 823527108 /nfs/dbraw/zinc/52/71/08/823527108.db2.gz FXVNPADSCMPEPP-CABCVRRESA-N 1 1 384.446 4.219 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000177820358 823530688 /nfs/dbraw/zinc/53/06/88/823530688.db2.gz HNSJMVZSCIKIET-CVEARBPZSA-N 1 1 387.911 4.013 20 0 GIADMO Cn1ccc2cccc(NC(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c21 ZINC000190050019 823530712 /nfs/dbraw/zinc/53/07/12/823530712.db2.gz KCEXORIWYSSCGF-UZLBHIALSA-N 1 1 382.533 4.444 20 0 GIADMO CCOc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000060475079 823532174 /nfs/dbraw/zinc/53/21/74/823532174.db2.gz MRFDGZGOHJRVRX-LJQANCHMSA-N 1 1 380.532 4.176 20 0 GIADMO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000060482246 823532798 /nfs/dbraw/zinc/53/27/98/823532798.db2.gz JJWONZXLKNKQIE-LJQANCHMSA-N 1 1 379.834 4.247 20 0 GIADMO CC(C)c1csc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000177833490 823533090 /nfs/dbraw/zinc/53/30/90/823533090.db2.gz YYPRLPAUIWGPPC-MRXNPFEDSA-N 1 1 380.945 4.022 20 0 GIADMO COc1cccc(-c2nc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)cs2)c1 ZINC000041106528 821170354 /nfs/dbraw/zinc/17/03/54/821170354.db2.gz HWCYNIRJGNZISH-UHFFFAOYSA-N 1 1 399.560 4.043 20 0 GIADMO O=C(N[C@@H]1CCCc2sccc21)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460883572 823535768 /nfs/dbraw/zinc/53/57/68/823535768.db2.gz NZWWGJKLJBMZAR-SFHLNBCPSA-N 1 1 395.572 4.289 20 0 GIADMO Cc1ccc(SCCC(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C ZINC000060547422 823540820 /nfs/dbraw/zinc/54/08/20/823540820.db2.gz PPCKCWSEKFZFBO-UHFFFAOYSA-N 1 1 397.588 4.172 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460889750 823536482 /nfs/dbraw/zinc/53/64/82/823536482.db2.gz POWHCBBZPGFGME-NRFANRHFSA-N 1 1 382.552 4.369 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc3[nH]ccc3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123752456 823537401 /nfs/dbraw/zinc/53/74/01/823537401.db2.gz OAXHJRRTFWKXCW-JXFKEZNVSA-N 1 1 385.870 4.383 20 0 GIADMO COCc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000123765731 823538864 /nfs/dbraw/zinc/53/88/64/823538864.db2.gz KGUMSIQVGCKBBP-XLIONFOSSA-N 1 1 390.886 4.048 20 0 GIADMO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 ZINC000042133782 821273214 /nfs/dbraw/zinc/27/32/14/821273214.db2.gz PWYWJCHMHZKCEQ-ZWKOTPCHSA-N 1 1 387.568 4.155 20 0 GIADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@@H+](C)C1CCCC1 ZINC000042541146 821310515 /nfs/dbraw/zinc/31/05/15/821310515.db2.gz FMRFZAWTHZIFAU-SFHVURJKSA-N 1 1 393.531 4.333 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633531 821316684 /nfs/dbraw/zinc/31/66/84/821316684.db2.gz AGTFOOAOHKVWLV-ZDUSSCGKSA-N 1 1 376.859 4.391 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042657446 821321106 /nfs/dbraw/zinc/32/11/06/821321106.db2.gz YRGFMGNRPWACDT-HRAATJIYSA-N 1 1 386.923 4.421 20 0 GIADMO CCCNC(=O)C1CC[NH+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000042685529 821324473 /nfs/dbraw/zinc/32/44/73/821324473.db2.gz DZRHCJQQWMWMNZ-UHFFFAOYSA-N 1 1 387.568 4.110 20 0 GIADMO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)n2)cc1 ZINC000043085603 821358801 /nfs/dbraw/zinc/35/88/01/821358801.db2.gz RNBCWKMHYIHXMP-MSOLQXFVSA-N 1 1 398.551 4.172 20 0 GIADMO Cc1nc(COc2cccc(C(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)c2)cs1 ZINC000043085345 821358989 /nfs/dbraw/zinc/35/89/89/821358989.db2.gz VDJREAZQSICBAK-JKSUJKDBSA-N 1 1 387.549 4.023 20 0 GIADMO Cc1cc(C)n(CCCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1 ZINC000043098667 821360936 /nfs/dbraw/zinc/36/09/36/821360936.db2.gz CSBJUNAOHLZJFN-UHFFFAOYSA-N 1 1 394.523 4.080 20 0 GIADMO C[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000043158401 821370566 /nfs/dbraw/zinc/37/05/66/821370566.db2.gz CIMAMFXBAWKGFA-CQSZACIVSA-N 1 1 377.410 4.274 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000180629930 821375028 /nfs/dbraw/zinc/37/50/28/821375028.db2.gz MBRVTXYDOYCLEN-CQSZACIVSA-N 1 1 383.323 4.424 20 0 GIADMO CCC(CC)[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC000180631105 821375516 /nfs/dbraw/zinc/37/55/16/821375516.db2.gz SMOVABGXQXXTGO-VXKWHMMOSA-N 1 1 389.584 4.310 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1)c1ccc(F)cc1 ZINC000180638421 821378066 /nfs/dbraw/zinc/37/80/66/821378066.db2.gz BNVCURFXAZVELV-IRLDBZIGSA-N 1 1 393.462 4.496 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000180647778 821381701 /nfs/dbraw/zinc/38/17/01/821381701.db2.gz PYCRWACGLKWKHB-MGPUTAFESA-N 1 1 385.508 4.233 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180653722 821383584 /nfs/dbraw/zinc/38/35/84/821383584.db2.gz ICLRIGZJRPEQPA-FOIQADDNSA-N 1 1 385.895 4.279 20 0 GIADMO CC(C)c1ccc([C@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C(C)C)cc1 ZINC000043269323 821384127 /nfs/dbraw/zinc/38/41/27/821384127.db2.gz MRDZUAYKFYVJPX-HSZRJFAPSA-N 1 1 396.579 4.269 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000180656528 821384947 /nfs/dbraw/zinc/38/49/47/821384947.db2.gz GGJOIDDDTACBJJ-OXJNMPFZSA-N 1 1 385.508 4.233 20 0 GIADMO CN(C)c1cc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)c2ccccc2n1 ZINC000180687431 821395430 /nfs/dbraw/zinc/39/54/30/821395430.db2.gz RUNFRUJHDFRHNK-QHCPKHFHSA-N 1 1 389.478 4.053 20 0 GIADMO C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H](O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000180692856 821398458 /nfs/dbraw/zinc/39/84/58/821398458.db2.gz YGVWLACSDDSABY-XPGWFJOJSA-N 1 1 384.486 4.372 20 0 GIADMO C[C@@H](CCN[C@H](c1cnn(C)c1)c1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000180696989 821400572 /nfs/dbraw/zinc/40/05/72/821400572.db2.gz ZJDYPWFBAISBCD-MBSDFSHPSA-N 1 1 380.511 4.149 20 0 GIADMO COc1ccc(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000043391189 821401079 /nfs/dbraw/zinc/40/10/79/821401079.db2.gz AKQYAIOMKHVUAU-UHFFFAOYSA-N 1 1 382.508 4.176 20 0 GIADMO COc1cc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1OC ZINC000043404300 821402333 /nfs/dbraw/zinc/40/23/33/821402333.db2.gz NLJAMXCSNPZAOS-UHFFFAOYSA-N 1 1 397.519 4.060 20 0 GIADMO O=C(Nc1ccccc1N1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043485481 821413620 /nfs/dbraw/zinc/41/36/20/821413620.db2.gz IHMPEKYJNITLDE-UHFFFAOYSA-N 1 1 378.520 4.027 20 0 GIADMO CC[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1OC(F)F ZINC000180737252 821425699 /nfs/dbraw/zinc/42/56/99/821425699.db2.gz WJEUFWZIUURVQH-SFHVURJKSA-N 1 1 382.495 4.364 20 0 GIADMO CC[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000180739451 821427068 /nfs/dbraw/zinc/42/70/68/821427068.db2.gz BTERCUBNSNWCHY-IBGZPJMESA-N 1 1 382.495 4.364 20 0 GIADMO CC[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000180739467 821427079 /nfs/dbraw/zinc/42/70/79/821427079.db2.gz BTERCUBNSNWCHY-LJQANCHMSA-N 1 1 382.495 4.364 20 0 GIADMO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)c(Br)c1 ZINC000180740482 821428322 /nfs/dbraw/zinc/42/83/22/821428322.db2.gz FDHZGINTGCKTQK-OAHLLOKOSA-N 1 1 399.348 4.274 20 0 GIADMO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644376 821435060 /nfs/dbraw/zinc/43/50/60/821435060.db2.gz CUQVMTXMRIVRAN-KBXCAEBGSA-N 1 1 392.421 4.166 20 0 GIADMO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644376 821435063 /nfs/dbraw/zinc/43/50/63/821435063.db2.gz CUQVMTXMRIVRAN-KBXCAEBGSA-N 1 1 392.421 4.166 20 0 GIADMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644377 821435116 /nfs/dbraw/zinc/43/51/16/821435116.db2.gz CUQVMTXMRIVRAN-RDTXWAMCSA-N 1 1 392.421 4.166 20 0 GIADMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644377 821435122 /nfs/dbraw/zinc/43/51/22/821435122.db2.gz CUQVMTXMRIVRAN-RDTXWAMCSA-N 1 1 392.421 4.166 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c(OC)c1OC ZINC000180762220 821440637 /nfs/dbraw/zinc/44/06/37/821440637.db2.gz VASBONVZQBTRFK-GOSISDBHSA-N 1 1 387.451 4.089 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)CCc3ccc(Cl)cc3Cl)sc2C1 ZINC000043728159 821448248 /nfs/dbraw/zinc/44/82/48/821448248.db2.gz NUQKUKAUNDAQKA-UHFFFAOYSA-N 1 1 384.332 4.399 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)CCc3ccc(Cl)cc3Cl)sc2C1 ZINC000043728159 821448251 /nfs/dbraw/zinc/44/82/51/821448251.db2.gz NUQKUKAUNDAQKA-UHFFFAOYSA-N 1 1 384.332 4.399 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000180799679 821465517 /nfs/dbraw/zinc/46/55/17/821465517.db2.gz CCHSEACKCFFULA-INIZCTEOSA-N 1 1 375.398 4.129 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000180799679 821465521 /nfs/dbraw/zinc/46/55/21/821465521.db2.gz CCHSEACKCFFULA-INIZCTEOSA-N 1 1 375.398 4.129 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2cccs2)n1 ZINC000180799853 821465540 /nfs/dbraw/zinc/46/55/40/821465540.db2.gz HGLOFCZTQQXLIR-AWEZNQCLSA-N 1 1 395.454 4.201 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000180806575 821469537 /nfs/dbraw/zinc/46/95/37/821469537.db2.gz HBRXXMLBKWTKAO-LJQANCHMSA-N 1 1 382.504 4.216 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CCCc2ccc3ccccc3c2)[C@H](C)C1 ZINC000180834903 821486478 /nfs/dbraw/zinc/48/64/78/821486478.db2.gz LCRHBRIODCNZTL-HYBUGGRVSA-N 1 1 396.575 4.416 20 0 GIADMO c1sc(CCc2ccccc2)nc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180850590 821494891 /nfs/dbraw/zinc/49/48/91/821494891.db2.gz LQGCNBWNZGHYBI-GOSISDBHSA-N 1 1 393.560 4.234 20 0 GIADMO c1sc(CCc2ccccc2)nc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180850590 821494899 /nfs/dbraw/zinc/49/48/99/821494899.db2.gz LQGCNBWNZGHYBI-GOSISDBHSA-N 1 1 393.560 4.234 20 0 GIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000180853712 821496180 /nfs/dbraw/zinc/49/61/80/821496180.db2.gz PCYAZHHVDLUOLB-OLZOCXBDSA-N 1 1 387.833 4.056 20 0 GIADMO C[C@@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180863924 821501037 /nfs/dbraw/zinc/50/10/37/821501037.db2.gz YZWOFTWCOSNARG-ZBFHGGJFSA-N 1 1 399.457 4.037 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863213 821501243 /nfs/dbraw/zinc/50/12/43/821501243.db2.gz AXJFERCGDKKANX-BZSNNMDCSA-N 1 1 395.551 4.333 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863213 821501245 /nfs/dbraw/zinc/50/12/45/821501245.db2.gz AXJFERCGDKKANX-BZSNNMDCSA-N 1 1 395.551 4.333 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)n2)ccc1F ZINC000180877372 821508156 /nfs/dbraw/zinc/50/81/56/821508156.db2.gz RBJQWUXUWHMBNN-HOCLYGCPSA-N 1 1 396.470 4.051 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)n2)ccc1F ZINC000180877372 821508163 /nfs/dbraw/zinc/50/81/63/821508163.db2.gz RBJQWUXUWHMBNN-HOCLYGCPSA-N 1 1 396.470 4.051 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1C ZINC000044047165 821511137 /nfs/dbraw/zinc/51/11/37/821511137.db2.gz LFJJWNKDZYWKDB-UHFFFAOYSA-N 1 1 394.519 4.002 20 0 GIADMO S=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccc2ccccc2c1 ZINC000044057937 821513918 /nfs/dbraw/zinc/51/39/18/821513918.db2.gz ZMWOGQUSRDQBAC-UHFFFAOYSA-N 1 1 391.540 4.159 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000044102537 821523253 /nfs/dbraw/zinc/52/32/53/821523253.db2.gz MFQPYFSKWZLHSF-LJQANCHMSA-N 1 1 397.548 4.101 20 0 GIADMO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000180921282 821539338 /nfs/dbraw/zinc/53/93/38/821539338.db2.gz WSUUDJXQWWCDNY-ZHRRBRCNSA-N 1 1 397.544 4.179 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=S)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000044229763 821551754 /nfs/dbraw/zinc/55/17/54/821551754.db2.gz AUAMAOWSZXZXAA-UHFFFAOYSA-N 1 1 392.931 4.430 20 0 GIADMO CC(C)(C)n1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000180952604 821553689 /nfs/dbraw/zinc/55/36/89/821553689.db2.gz NLLOZMJQXDTRSB-PZJWPPBQSA-N 1 1 395.551 4.157 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000180958982 821556830 /nfs/dbraw/zinc/55/68/30/821556830.db2.gz XDGJIAQMJKYFLA-UHFFFAOYSA-N 1 1 387.487 4.486 20 0 GIADMO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-c2ccccc2)o1 ZINC000180995648 821582441 /nfs/dbraw/zinc/58/24/41/821582441.db2.gz YGOJFJSZJDCOQC-GOSISDBHSA-N 1 1 391.515 4.089 20 0 GIADMO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3nc(-c4ccccn4)cs3)CC2)C1 ZINC000181012322 821593032 /nfs/dbraw/zinc/59/30/32/821593032.db2.gz HBPUOORNXZGPFD-IEBWSBKVSA-N 1 1 384.593 4.380 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCc2ccc(Cl)s2)CC1 ZINC000044507178 821597063 /nfs/dbraw/zinc/59/70/63/821597063.db2.gz IBQUCNCOIAVNPB-UHFFFAOYSA-N 1 1 376.953 4.377 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000044507324 821597114 /nfs/dbraw/zinc/59/71/14/821597114.db2.gz BJEBLYKAAMNOGV-HKUYNNGSSA-N 1 1 382.470 4.398 20 0 GIADMO COc1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)ccc1OC(=O)C1CC1 ZINC000181030418 821602106 /nfs/dbraw/zinc/60/21/06/821602106.db2.gz AEVZIBQALJVEDF-QFIPXVFZSA-N 1 1 377.440 4.483 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(-c2cccnc2)on1 ZINC000044552641 821607788 /nfs/dbraw/zinc/60/77/88/821607788.db2.gz WIZVSZIVDZRUGQ-QGZVFWFLSA-N 1 1 390.487 4.041 20 0 GIADMO C[N@@H+](CCCn1ccnc1)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000181055327 821612772 /nfs/dbraw/zinc/61/27/72/821612772.db2.gz PQNXXWTUBFDIJD-UHFFFAOYSA-N 1 1 393.922 4.457 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181089288 821627237 /nfs/dbraw/zinc/62/72/37/821627237.db2.gz DFKCZNMWUMKZHX-UHFFFAOYSA-N 1 1 399.445 4.070 20 0 GIADMO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181089288 821627244 /nfs/dbraw/zinc/62/72/44/821627244.db2.gz DFKCZNMWUMKZHX-UHFFFAOYSA-N 1 1 399.445 4.070 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181089288 821627249 /nfs/dbraw/zinc/62/72/49/821627249.db2.gz DFKCZNMWUMKZHX-UHFFFAOYSA-N 1 1 399.445 4.070 20 0 GIADMO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@H+](C)CC3CCCCC3)nc(=O)c2c1C ZINC000044714832 821648634 /nfs/dbraw/zinc/64/86/34/821648634.db2.gz WLPYTYJLDCJJKE-CYBMUJFWSA-N 1 1 391.537 4.043 20 0 GIADMO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@@H+](C)CC3CCCCC3)nc(=O)c2c1C ZINC000044714832 821648637 /nfs/dbraw/zinc/64/86/37/821648637.db2.gz WLPYTYJLDCJJKE-CYBMUJFWSA-N 1 1 391.537 4.043 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]Cc2ncc(Cl)n2C)cc1OC ZINC000181140303 821658899 /nfs/dbraw/zinc/65/88/99/821658899.db2.gz OQSQAXHXNLNBLB-GOSISDBHSA-N 1 1 399.922 4.473 20 0 GIADMO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000181147771 821663443 /nfs/dbraw/zinc/66/34/43/821663443.db2.gz QTPGUCYWABRKAB-REWPJTCUSA-N 1 1 380.532 4.169 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000181157193 821669260 /nfs/dbraw/zinc/66/92/60/821669260.db2.gz FWUGZMMPXMCSAI-QHCPKHFHSA-N 1 1 395.524 4.368 20 0 GIADMO Cc1cc(C)cc(OCC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044878878 821676359 /nfs/dbraw/zinc/67/63/59/821676359.db2.gz KNTKJFZVWAZCNI-SFHVURJKSA-N 1 1 380.532 4.231 20 0 GIADMO COc1cc(N[C@H]2CCC[N@H+]([C@H](C)c3nc4ccccc4o3)C2)cc(OC)c1 ZINC000181183480 821682854 /nfs/dbraw/zinc/68/28/54/821682854.db2.gz NBUOIJNJHYNSNB-CVEARBPZSA-N 1 1 381.476 4.483 20 0 GIADMO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000181183912 821683660 /nfs/dbraw/zinc/68/36/60/821683660.db2.gz TWOBGPXUNFSYFL-MRXNPFEDSA-N 1 1 377.330 4.310 20 0 GIADMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181187288 821685031 /nfs/dbraw/zinc/68/50/31/821685031.db2.gz YCTJEYNIWMHYHJ-SFHVURJKSA-N 1 1 396.487 4.131 20 0 GIADMO CC[NH+](CC)[C@H](CN[C@H](C)c1cnc2cc(C)nn2c1C)c1cccc(OC)c1 ZINC000181192271 821687705 /nfs/dbraw/zinc/68/77/05/821687705.db2.gz FKWNEDQFGNHIRH-VGOFRKELSA-N 1 1 395.551 4.088 20 0 GIADMO COc1ccc(-c2noc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181226105 821705869 /nfs/dbraw/zinc/70/58/69/821705869.db2.gz YEAIKDRDAWLQHS-OXJNMPFZSA-N 1 1 379.460 4.003 20 0 GIADMO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnc(Cl)s2)cc1 ZINC000181240332 821714485 /nfs/dbraw/zinc/71/44/85/821714485.db2.gz WSUGAFBXKDZKLN-UHFFFAOYSA-N 1 1 390.940 4.484 20 0 GIADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cnc(Cl)s2)cc1 ZINC000181240332 821714487 /nfs/dbraw/zinc/71/44/87/821714487.db2.gz WSUGAFBXKDZKLN-UHFFFAOYSA-N 1 1 390.940 4.484 20 0 GIADMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Br)c1OC)CCO2 ZINC000181262251 821723643 /nfs/dbraw/zinc/72/36/43/821723643.db2.gz YFCZPOKDJGTBLO-KRWDZBQOSA-N 1 1 392.293 4.470 20 0 GIADMO C[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181269495 821725553 /nfs/dbraw/zinc/72/55/53/821725553.db2.gz RTSRLMCKPKBQCZ-AWEZNQCLSA-N 1 1 381.407 4.288 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1cccnc1 ZINC000181358469 821785766 /nfs/dbraw/zinc/78/57/66/821785766.db2.gz LORMTKGSYQCQAV-WMLDXEAASA-N 1 1 396.541 4.233 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)/C=C/c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181369567 821792449 /nfs/dbraw/zinc/79/24/49/821792449.db2.gz LKALZINKHSOAKK-LAMSDQTKSA-N 1 1 387.886 4.228 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)/C=C/c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181369567 821792454 /nfs/dbraw/zinc/79/24/54/821792454.db2.gz LKALZINKHSOAKK-LAMSDQTKSA-N 1 1 387.886 4.228 20 0 GIADMO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)n2C)cc1OCC ZINC000181385468 821799419 /nfs/dbraw/zinc/79/94/19/821799419.db2.gz HYVPNZZJAMHFCS-INIZCTEOSA-N 1 1 380.492 4.130 20 0 GIADMO C[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(=O)c1ccc(Cl)cc1 ZINC000181400185 821806798 /nfs/dbraw/zinc/80/67/98/821806798.db2.gz DVKFSHPYJRWGHE-CJNGLKHVSA-N 1 1 378.925 4.030 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N(C)c3ccc(F)c(Cl)c3)CC2)cs1 ZINC000181408038 821810125 /nfs/dbraw/zinc/81/01/25/821810125.db2.gz MCUHDJBTGRUXQJ-UHFFFAOYSA-N 1 1 381.904 4.119 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1)c1cccs1 ZINC000181417125 821815030 /nfs/dbraw/zinc/81/50/30/821815030.db2.gz ODGBUDPELGJFQO-QZTJIDSGSA-N 1 1 386.565 4.420 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1)c1cccs1 ZINC000181417125 821815040 /nfs/dbraw/zinc/81/50/40/821815040.db2.gz ODGBUDPELGJFQO-QZTJIDSGSA-N 1 1 386.565 4.420 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1)c1cccs1 ZINC000181417105 821815088 /nfs/dbraw/zinc/81/50/88/821815088.db2.gz ODGBUDPELGJFQO-ROUUACIJSA-N 1 1 386.565 4.420 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1)c1cccs1 ZINC000181417105 821815094 /nfs/dbraw/zinc/81/50/94/821815094.db2.gz ODGBUDPELGJFQO-ROUUACIJSA-N 1 1 386.565 4.420 20 0 GIADMO Nc1nc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)nc2ccccc12 ZINC000181421380 821817360 /nfs/dbraw/zinc/81/73/60/821817360.db2.gz VESWJLMPMDRIFV-GHTZIAJQSA-N 1 1 376.504 4.080 20 0 GIADMO Nc1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)nc2ccccc12 ZINC000181421430 821817847 /nfs/dbraw/zinc/81/78/47/821817847.db2.gz VESWJLMPMDRIFV-NQIIRXRSSA-N 1 1 376.504 4.080 20 0 GIADMO COC[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181427361 821821140 /nfs/dbraw/zinc/82/11/40/821821140.db2.gz QQYXCKBXHWKGLN-DJJJIMSYSA-N 1 1 396.865 4.115 20 0 GIADMO CCc1ccc([C@@H]([NH2+][C@H](C)c2cccnc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181428197 821821792 /nfs/dbraw/zinc/82/17/92/821821792.db2.gz MUMLXWDEFVCILM-UZUQRXQVSA-N 1 1 394.540 4.488 20 0 GIADMO COc1ccccc1[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccco1 ZINC000181433917 821824978 /nfs/dbraw/zinc/82/49/78/821824978.db2.gz GPHXHTWLAHAUNI-HSZRJFAPSA-N 1 1 377.488 4.027 20 0 GIADMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCc1ccncc1)c1ccc(Cl)cc1Cl ZINC000181451956 821831847 /nfs/dbraw/zinc/83/18/47/821831847.db2.gz RBTQTTYBIIHDAG-ZIAGYGMSSA-N 1 1 380.319 4.129 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c(Br)c1 ZINC000181458825 821835521 /nfs/dbraw/zinc/83/55/21/821835521.db2.gz NZHSGCIHUWNIDF-CQSZACIVSA-N 1 1 390.325 4.304 20 0 GIADMO CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc12 ZINC000181462828 821837768 /nfs/dbraw/zinc/83/77/68/821837768.db2.gz RJJLWZBITPDPNX-LSDHHAIUSA-N 1 1 388.581 4.141 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)on1 ZINC000181468156 821839764 /nfs/dbraw/zinc/83/97/64/821839764.db2.gz DGHAUEIZRIUKIT-UTKZUKDTSA-N 1 1 380.488 4.486 20 0 GIADMO C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181486196 821847665 /nfs/dbraw/zinc/84/76/65/821847665.db2.gz DARBMSUMBNWQOX-DLBZAZTESA-N 1 1 378.944 4.268 20 0 GIADMO C[N@H+](CCc1ccncc1)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000181496575 821853664 /nfs/dbraw/zinc/85/36/64/821853664.db2.gz KPIBSMCTSQOTCE-QHCPKHFHSA-N 1 1 393.918 4.115 20 0 GIADMO C[N@@H+](CCc1ccncc1)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000181496575 821853669 /nfs/dbraw/zinc/85/36/69/821853669.db2.gz KPIBSMCTSQOTCE-QHCPKHFHSA-N 1 1 393.918 4.115 20 0 GIADMO Cc1ccc(Br)c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181505677 821857797 /nfs/dbraw/zinc/85/77/97/821857797.db2.gz FEKGOLIADTVMIQ-GJZGRUSLSA-N 1 1 379.342 4.140 20 0 GIADMO C[C@H](CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)c1ccc(Cl)cc1 ZINC000181507073 821858533 /nfs/dbraw/zinc/85/85/33/821858533.db2.gz JNLZMLQJRMATQW-JFIYKMOQSA-N 1 1 390.955 4.318 20 0 GIADMO CCOc1ccccc1OCCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181508282 821859270 /nfs/dbraw/zinc/85/92/70/821859270.db2.gz ZJSLQXADZWCYCI-RTBURBONSA-N 1 1 388.552 4.014 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1cccc(O)c1 ZINC000181512006 821861646 /nfs/dbraw/zinc/86/16/46/821861646.db2.gz UIPCBOKMFVCMAQ-KBXCAEBGSA-N 1 1 395.484 4.075 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4nnc(C5CC5)n4C4CC4)C3)nc2c1 ZINC000181525655 821866771 /nfs/dbraw/zinc/86/67/71/821866771.db2.gz HQWDNATVECWZFE-MRXNPFEDSA-N 1 1 376.508 4.055 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nnc(C5CC5)n4C4CC4)C3)nc2c1 ZINC000181525655 821866778 /nfs/dbraw/zinc/86/67/78/821866778.db2.gz HQWDNATVECWZFE-MRXNPFEDSA-N 1 1 376.508 4.055 20 0 GIADMO Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2F)n1 ZINC000181530105 821868154 /nfs/dbraw/zinc/86/81/54/821868154.db2.gz ABTXQAVBPKWBGM-MJGOQNOKSA-N 1 1 398.526 4.011 20 0 GIADMO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000181562913 821882024 /nfs/dbraw/zinc/88/20/24/821882024.db2.gz RJYOMKNFZYXBJR-IRLDBZIGSA-N 1 1 381.907 4.316 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000181562913 821882033 /nfs/dbraw/zinc/88/20/33/821882033.db2.gz RJYOMKNFZYXBJR-IRLDBZIGSA-N 1 1 381.907 4.316 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)c1cccc(O)c1 ZINC000181562813 821882074 /nfs/dbraw/zinc/88/20/74/821882074.db2.gz CKTBXIFRDLGQHC-AVGNSLFASA-N 1 1 383.517 4.227 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C2CC2)n1 ZINC000181601756 821897815 /nfs/dbraw/zinc/89/78/15/821897815.db2.gz OZOJGUMVPYEGSC-NHYWBVRUSA-N 1 1 381.448 4.121 20 0 GIADMO C[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181635302 821915318 /nfs/dbraw/zinc/91/53/18/821915318.db2.gz QAHIQHLRKFCIKM-OLZOCXBDSA-N 1 1 386.870 4.324 20 0 GIADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000181636911 821916453 /nfs/dbraw/zinc/91/64/53/821916453.db2.gz GVXRETCBBKQWDL-GOSISDBHSA-N 1 1 390.528 4.146 20 0 GIADMO CO[C@@H](C)c1nc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)cs1 ZINC000181655316 821925476 /nfs/dbraw/zinc/92/54/76/821925476.db2.gz YQGCUWKJSKCQGS-NSHDSACASA-N 1 1 389.443 4.212 20 0 GIADMO C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181657547 821926868 /nfs/dbraw/zinc/92/68/68/821926868.db2.gz ZNRRXQYNIXRFHT-CVEARBPZSA-N 1 1 378.944 4.267 20 0 GIADMO COC[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000181659472 821928271 /nfs/dbraw/zinc/92/82/71/821928271.db2.gz ZEMFLTUFDAWHIH-LJQANCHMSA-N 1 1 398.304 4.383 20 0 GIADMO C[C@H](NC(=O)/C=C/c1cnc(C(C)(C)C)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181678190 821939866 /nfs/dbraw/zinc/93/98/66/821939866.db2.gz ZATHMFSZAIDLKJ-ZBYDSPNZSA-N 1 1 375.582 4.223 20 0 GIADMO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000181715887 821957561 /nfs/dbraw/zinc/95/75/61/821957561.db2.gz SJIOTUKWZBUDIV-INIZCTEOSA-N 1 1 385.533 4.487 20 0 GIADMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000181716594 821958395 /nfs/dbraw/zinc/95/83/95/821958395.db2.gz LHKOYSGIFJGCQI-GFCCVEGCSA-N 1 1 394.472 4.083 20 0 GIADMO C[C@@H]1C[C@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000181736953 821969279 /nfs/dbraw/zinc/96/92/79/821969279.db2.gz XHRXTFBAWITPRL-NFBKMPQASA-N 1 1 399.623 4.256 20 0 GIADMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000181763707 821981734 /nfs/dbraw/zinc/98/17/34/821981734.db2.gz SZFZPXBRQYVEMV-RTBURBONSA-N 1 1 380.492 4.273 20 0 GIADMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000181834449 822011808 /nfs/dbraw/zinc/01/18/08/822011808.db2.gz MIHNLQHJPRJZOJ-QGZVFWFLSA-N 1 1 392.858 4.090 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccnc(Cl)c1 ZINC000181875887 822023803 /nfs/dbraw/zinc/02/38/03/822023803.db2.gz IBNCSGLUWOWCCU-UHFFFAOYSA-N 1 1 384.867 4.282 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccnc(Cl)c1 ZINC000181875887 822023814 /nfs/dbraw/zinc/02/38/14/822023814.db2.gz IBNCSGLUWOWCCU-UHFFFAOYSA-N 1 1 384.867 4.282 20 0 GIADMO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccc(-n2cncn2)cc1 ZINC000181878920 822024453 /nfs/dbraw/zinc/02/44/53/822024453.db2.gz MKGUEJKBOCSXAS-GFCCVEGCSA-N 1 1 375.245 4.020 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-n2cncn2)cc1 ZINC000181882507 822025705 /nfs/dbraw/zinc/02/57/05/822025705.db2.gz SNMLYJWDDIVSAX-ZDUSSCGKSA-N 1 1 381.386 4.051 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000181883488 822025773 /nfs/dbraw/zinc/02/57/73/822025773.db2.gz HBSWCYMCRWJCBF-ZIAGYGMSSA-N 1 1 394.866 4.383 20 0 GIADMO C[C@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccc(-n2cncn2)cc1 ZINC000181909759 822034491 /nfs/dbraw/zinc/03/44/91/822034491.db2.gz LFNHSZGCULHFRY-AWEZNQCLSA-N 1 1 379.464 4.381 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914618 822035392 /nfs/dbraw/zinc/03/53/92/822035392.db2.gz KPJAWFYCVYOVHM-NQIIRXRSSA-N 1 1 390.886 4.067 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914618 822035399 /nfs/dbraw/zinc/03/53/99/822035399.db2.gz KPJAWFYCVYOVHM-NQIIRXRSSA-N 1 1 390.886 4.067 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000181917406 822036308 /nfs/dbraw/zinc/03/63/08/822036308.db2.gz ZEFKMXQFNXYBBP-LLVKDONJSA-N 1 1 392.297 4.351 20 0 GIADMO CC(C)c1ccc([C@H]([NH2+]Cc2csc(CS(C)(=O)=O)n2)C(C)C)cc1 ZINC000181941686 822041706 /nfs/dbraw/zinc/04/17/06/822041706.db2.gz GJQZCNHLTMRGRG-LJQANCHMSA-N 1 1 380.579 4.298 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181974802 822049650 /nfs/dbraw/zinc/04/96/50/822049650.db2.gz JNLMTWBGKOEWCI-NSHDSACASA-N 1 1 383.236 4.325 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc(OC)cc3)co2)cc1 ZINC000182003007 822059465 /nfs/dbraw/zinc/05/94/65/822059465.db2.gz MJUPMOBPZUXVCS-HNNXBMFYSA-N 1 1 380.444 4.330 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc(OC)cc3)co2)cc1 ZINC000182003007 822059473 /nfs/dbraw/zinc/05/94/73/822059473.db2.gz MJUPMOBPZUXVCS-HNNXBMFYSA-N 1 1 380.444 4.330 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccc(-n2ccnn2)cc1 ZINC000182010136 822061331 /nfs/dbraw/zinc/06/13/31/822061331.db2.gz MBUHBMDSDJQPQB-CYBMUJFWSA-N 1 1 381.386 4.051 20 0 GIADMO C[C@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1ccc(-n2ccnn2)cc1 ZINC000182011900 822061783 /nfs/dbraw/zinc/06/17/83/822061783.db2.gz LDJBQKFAEILZDE-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO Cc1cccc(COc2ccc([C@H](C)[NH2+]Cc3nnc4n3CCCC4)cc2)c1 ZINC000182070938 822081689 /nfs/dbraw/zinc/08/16/89/822081689.db2.gz YVECSPYVJBATAF-SFHVURJKSA-N 1 1 376.504 4.353 20 0 GIADMO Cc1cc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)ccc1Oc1cccnc1 ZINC000182090526 822089820 /nfs/dbraw/zinc/08/98/20/822089820.db2.gz LHACJODEWKZUIL-IBGZPJMESA-N 1 1 376.504 4.371 20 0 GIADMO Cc1cccc(C)c1CC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182157026 822122399 /nfs/dbraw/zinc/12/23/99/822122399.db2.gz UNRUQHYOVUGOOK-OAQYLSRUSA-N 1 1 388.515 4.128 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000182178483 822134256 /nfs/dbraw/zinc/13/42/56/822134256.db2.gz WAYJQXGFGJIGPZ-IBGZPJMESA-N 1 1 388.943 4.167 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000182210329 822148517 /nfs/dbraw/zinc/14/85/17/822148517.db2.gz YYRJUTSNILEVGK-QGZVFWFLSA-N 1 1 391.357 4.434 20 0 GIADMO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000182214053 822150451 /nfs/dbraw/zinc/15/04/51/822150451.db2.gz BMVHDCWZDJRNBT-OAHLLOKOSA-N 1 1 391.443 4.022 20 0 GIADMO Cc1csc2nc(C[NH2+]C(C)(c3ccccc3)c3ccccc3)cc(=O)n12 ZINC000182216304 822152063 /nfs/dbraw/zinc/15/20/63/822152063.db2.gz NEGSEWLOHIELOA-UHFFFAOYSA-N 1 1 375.497 4.118 20 0 GIADMO COC(=O)c1occc1C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000182232233 822158475 /nfs/dbraw/zinc/15/84/75/822158475.db2.gz IOVWTYBBGSHNMX-GFCCVEGCSA-N 1 1 386.473 4.358 20 0 GIADMO CCOc1cccc2cc([C@H](C)NC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)oc21 ZINC000182248346 822166683 /nfs/dbraw/zinc/16/66/83/822166683.db2.gz WZPUJMTUMWFTMF-SZMVWBNQSA-N 1 1 385.508 4.018 20 0 GIADMO COc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)c21 ZINC000182320182 822201726 /nfs/dbraw/zinc/20/17/26/822201726.db2.gz IZXITXJSMDRYNE-HNNXBMFYSA-N 1 1 388.471 4.091 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)co2)cc1 ZINC000182351281 822211144 /nfs/dbraw/zinc/21/11/44/822211144.db2.gz QHDUEIZDPLTQAI-FQEVSTJZSA-N 1 1 391.471 4.205 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](Nc4ccccc4)C3)co2)cc1 ZINC000182351281 822211153 /nfs/dbraw/zinc/21/11/53/822211153.db2.gz QHDUEIZDPLTQAI-FQEVSTJZSA-N 1 1 391.471 4.205 20 0 GIADMO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000182357700 822213690 /nfs/dbraw/zinc/21/36/90/822213690.db2.gz QOUAQAQQUFFIPE-UHFFFAOYSA-N 1 1 390.459 4.064 20 0 GIADMO C[C@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182377277 822221099 /nfs/dbraw/zinc/22/10/99/822221099.db2.gz RCHXBXKPBXUZRU-KPLVRAHFSA-N 1 1 381.520 4.321 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182380186 822222136 /nfs/dbraw/zinc/22/21/36/822222136.db2.gz ZFFCVEYOPAWQDT-ZBFHGGJFSA-N 1 1 399.457 4.037 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1c(C)noc1C ZINC000182410531 822233095 /nfs/dbraw/zinc/23/30/95/822233095.db2.gz RGPVIXRVTQYQQB-FQEVSTJZSA-N 1 1 392.503 4.129 20 0 GIADMO CCOc1cccc([C@@H](C)[NH2+]Cc2coc(-c3ccc(C(=O)OC)cc3)n2)c1 ZINC000182429584 822240362 /nfs/dbraw/zinc/24/03/62/822240362.db2.gz HFMAHFSJZGVYIT-OAHLLOKOSA-N 1 1 380.444 4.378 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)CC[C@@H]21 ZINC000177943924 822251569 /nfs/dbraw/zinc/25/15/69/822251569.db2.gz MWYRYVYLIIJHPV-LPHOPBHVSA-N 1 1 390.959 4.278 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000182460629 822251767 /nfs/dbraw/zinc/25/17/67/822251767.db2.gz FZYITZAOHKQNEW-XLIONFOSSA-N 1 1 382.552 4.072 20 0 GIADMO COc1ccc([C@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cc1NC(C)=O ZINC000177969523 822261973 /nfs/dbraw/zinc/26/19/73/822261973.db2.gz TZPPANJHJIBXMF-SFHVURJKSA-N 1 1 395.547 4.011 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177992611 822273740 /nfs/dbraw/zinc/27/37/40/822273740.db2.gz FRPOZBUJUXZHOU-JTQLQIEISA-N 1 1 392.700 4.095 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000177997427 822275976 /nfs/dbraw/zinc/27/59/76/822275976.db2.gz PSSXXMOOYVVQGG-GGAORHGYSA-N 1 1 376.500 4.396 20 0 GIADMO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000182524943 822282715 /nfs/dbraw/zinc/28/27/15/822282715.db2.gz XKXPYAKTDNADTE-CQSZACIVSA-N 1 1 380.444 4.419 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)C1 ZINC000178019599 822285064 /nfs/dbraw/zinc/28/50/64/822285064.db2.gz HRNZQNSFRXXOCL-KRWDZBQOSA-N 1 1 383.492 4.293 20 0 GIADMO CCN(C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C(C)C ZINC000182531719 822286584 /nfs/dbraw/zinc/28/65/84/822286584.db2.gz LOSZLGSYFARTPD-UHFFFAOYSA-N 1 1 385.474 4.452 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COCCc3ccccc3)c2)C1 ZINC000178024043 822287719 /nfs/dbraw/zinc/28/77/19/822287719.db2.gz OKGCZBOIEYIJSH-JOCHJYFZSA-N 1 1 395.547 4.251 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3F)cc2)C1 ZINC000178025435 822288426 /nfs/dbraw/zinc/28/84/26/822288426.db2.gz UDHCTJIIUVCKCM-KRWDZBQOSA-N 1 1 385.483 4.210 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 ZINC000178042654 822296051 /nfs/dbraw/zinc/29/60/51/822296051.db2.gz LIVHSVPAZOGOAI-GOSISDBHSA-N 1 1 382.508 4.296 20 0 GIADMO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1OCC ZINC000178043341 822296802 /nfs/dbraw/zinc/29/68/02/822296802.db2.gz DTKSREMUNXGROQ-DLBZAZTESA-N 1 1 380.492 4.477 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)c1cn(-c2ccccc2)nn1 ZINC000178050440 822301079 /nfs/dbraw/zinc/30/10/79/822301079.db2.gz BEGVJKQNZVJCJG-ACJLOTCBSA-N 1 1 383.293 4.368 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1cn(-c2ccccc2)nn1 ZINC000178050394 822301129 /nfs/dbraw/zinc/30/11/29/822301129.db2.gz BEGVJKQNZVJCJG-SCLBCKFNSA-N 1 1 383.293 4.368 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000182577041 822310072 /nfs/dbraw/zinc/31/00/72/822310072.db2.gz SHWOCYHXFSTSEW-PXNSSMCTSA-N 1 1 379.504 4.446 20 0 GIADMO COC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1ccc(F)c(F)c1 ZINC000182602333 822319184 /nfs/dbraw/zinc/31/91/84/822319184.db2.gz CBCKQVKESXWWGY-LJQANCHMSA-N 1 1 375.394 4.075 20 0 GIADMO C[C@H](NC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182613343 822322582 /nfs/dbraw/zinc/32/25/82/822322582.db2.gz LYNNMNYNOAWCGL-HQRMLTQVSA-N 1 1 398.576 4.185 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c(OC[C@H]2CCCO2)c1 ZINC000178151422 822334781 /nfs/dbraw/zinc/33/47/81/822334781.db2.gz IYIJIVQDGJZXOA-AZUAARDMSA-N 1 1 386.536 4.146 20 0 GIADMO CNS(=O)(=O)c1ccc([C@@H](C)Nc2ccc([NH+]3CCC(C)CC3)cc2)cc1 ZINC000182650135 822338411 /nfs/dbraw/zinc/33/84/11/822338411.db2.gz AIPZXHYJUDOOAH-QGZVFWFLSA-N 1 1 387.549 4.004 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000178169293 822340317 /nfs/dbraw/zinc/34/03/17/822340317.db2.gz YNHYOCBTSIXIBY-DYESRHJHSA-N 1 1 380.536 4.189 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000178169293 822340328 /nfs/dbraw/zinc/34/03/28/822340328.db2.gz YNHYOCBTSIXIBY-DYESRHJHSA-N 1 1 380.536 4.189 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000178169293 822340335 /nfs/dbraw/zinc/34/03/35/822340335.db2.gz YNHYOCBTSIXIBY-DYESRHJHSA-N 1 1 380.536 4.189 20 0 GIADMO Cc1cc(N2CCC(NC(=O)CCc3ccc(C(C)(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000178180732 822345112 /nfs/dbraw/zinc/34/51/12/822345112.db2.gz ZUXRXJPUHGJGBU-UHFFFAOYSA-N 1 1 394.563 4.109 20 0 GIADMO COCc1cccc(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1 ZINC000178203898 822352063 /nfs/dbraw/zinc/35/20/63/822352063.db2.gz HZVJWWDLYYDMKP-UHFFFAOYSA-N 1 1 381.520 4.178 20 0 GIADMO COC[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691956 822353246 /nfs/dbraw/zinc/35/32/46/822353246.db2.gz AMLPGDFNPVAXRX-FOIQADDNSA-N 1 1 380.504 4.216 20 0 GIADMO COC[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691956 822353255 /nfs/dbraw/zinc/35/32/55/822353255.db2.gz AMLPGDFNPVAXRX-FOIQADDNSA-N 1 1 380.504 4.216 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182701092 822355029 /nfs/dbraw/zinc/35/50/29/822355029.db2.gz MHQFGLFZMRZGOU-RDJZCZTQSA-N 1 1 378.488 4.024 20 0 GIADMO O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000045033874 822358532 /nfs/dbraw/zinc/35/85/32/822358532.db2.gz ZDUFCODEOXCOTP-IRXDYDNUSA-N 1 1 386.433 4.229 20 0 GIADMO O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000045033874 822358533 /nfs/dbraw/zinc/35/85/33/822358533.db2.gz ZDUFCODEOXCOTP-IRXDYDNUSA-N 1 1 386.433 4.229 20 0 GIADMO CC[C@H](C(=O)N1CCC([NH2+]C2CCN(C(C)(C)C)CC2)CC1)c1ccccc1 ZINC000178274980 822362170 /nfs/dbraw/zinc/36/21/70/822362170.db2.gz VBKOAIKNOKHSNQ-QFIPXVFZSA-N 1 1 385.596 4.024 20 0 GIADMO C[C@H](N1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1)C(F)(F)F ZINC000178282344 822363042 /nfs/dbraw/zinc/36/30/42/822363042.db2.gz OEIFESZIKXQNJD-AWEZNQCLSA-N 1 1 398.391 4.433 20 0 GIADMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3nnc4n3CCCCC4)s2)cc1 ZINC000178286812 822363659 /nfs/dbraw/zinc/36/36/59/822363659.db2.gz FDCNMMXATJQSEA-CQSZACIVSA-N 1 1 397.548 4.296 20 0 GIADMO O=C(c1ccc2ncsc2c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178292838 822363993 /nfs/dbraw/zinc/36/39/93/822363993.db2.gz MWDZSBCVRLJQBR-CTNGQTDRSA-N 1 1 391.540 4.423 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1)C(C)(C)c1ccccc1 ZINC000182799926 822369627 /nfs/dbraw/zinc/36/96/27/822369627.db2.gz METZWOGQQXAYAY-OAHLLOKOSA-N 1 1 380.517 4.246 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000178391607 822374555 /nfs/dbraw/zinc/37/45/55/822374555.db2.gz OKBFJAFWNOYOOV-QGZVFWFLSA-N 1 1 376.516 4.169 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000178391607 822374560 /nfs/dbraw/zinc/37/45/60/822374560.db2.gz OKBFJAFWNOYOOV-QGZVFWFLSA-N 1 1 376.516 4.169 20 0 GIADMO COc1ccc(-c2noc(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)n2)cc1 ZINC000178396404 822375139 /nfs/dbraw/zinc/37/51/39/822375139.db2.gz DNKGGHATUYALTD-NRFANRHFSA-N 1 1 393.487 4.007 20 0 GIADMO COc1ccc(-c2noc(C[N@@H+](CCCO)[C@H]3CCCc4ccccc43)n2)cc1 ZINC000178396404 822375145 /nfs/dbraw/zinc/37/51/45/822375145.db2.gz DNKGGHATUYALTD-NRFANRHFSA-N 1 1 393.487 4.007 20 0 GIADMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178429547 822378272 /nfs/dbraw/zinc/37/82/72/822378272.db2.gz HNYMCYCXKBMMTM-MHZLTWQESA-N 1 1 380.513 4.030 20 0 GIADMO O=C(Nc1ccccc1SC(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178432498 822378704 /nfs/dbraw/zinc/37/87/04/822378704.db2.gz YSYHTJRFKAFULY-XJKSGUPXSA-N 1 1 381.492 4.482 20 0 GIADMO O=C(Nc1ccc2c3c(cccc31)CC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178434571 822378930 /nfs/dbraw/zinc/37/89/30/822378930.db2.gz QMUASRODZLOXLQ-GCJKJVERSA-N 1 1 375.516 4.419 20 0 GIADMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)CCO2 ZINC000178437389 822379137 /nfs/dbraw/zinc/37/91/37/822379137.db2.gz XOPRZMXGXPQHMN-QGZVFWFLSA-N 1 1 379.403 4.309 20 0 GIADMO CSCC[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1nnc2ccccn21 ZINC000178454899 822380690 /nfs/dbraw/zinc/38/06/90/822380690.db2.gz SPNVHLBMLJQYED-HZPDHXFCSA-N 1 1 388.537 4.489 20 0 GIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)[C@H](C)C1CC1)CC2 ZINC000178457118 822380855 /nfs/dbraw/zinc/38/08/55/822380855.db2.gz DUVLAWIRNQHCKS-MRXNPFEDSA-N 1 1 394.515 4.247 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)[C@H](C)C1CC1)CC2 ZINC000178457118 822380858 /nfs/dbraw/zinc/38/08/58/822380858.db2.gz DUVLAWIRNQHCKS-MRXNPFEDSA-N 1 1 394.515 4.247 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1c(F)cc(Cl)cc1F ZINC000182863920 822381642 /nfs/dbraw/zinc/38/16/42/822381642.db2.gz XXCGLOFFUXKONU-PXAZEXFGSA-N 1 1 394.853 4.045 20 0 GIADMO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182866176 822381798 /nfs/dbraw/zinc/38/17/98/822381798.db2.gz SJQYHHUWOZBELX-ZFWWWQNUSA-N 1 1 392.931 4.073 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182885201 822385943 /nfs/dbraw/zinc/38/59/43/822385943.db2.gz ZKZYHESAGPJOAU-YJBOKZPZSA-N 1 1 398.526 4.011 20 0 GIADMO C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182886708 822386125 /nfs/dbraw/zinc/38/61/25/822386125.db2.gz MIHOCUUMAVUDMW-CZTZKLFOSA-N 1 1 384.568 4.361 20 0 GIADMO Cn1c(C[NH+]2CCC3(CC2)OCCc2ccccc23)nc2cc(Cl)ccc21 ZINC000453578740 822387277 /nfs/dbraw/zinc/38/72/77/822387277.db2.gz QLJONHGZYSNDCW-UHFFFAOYSA-N 1 1 381.907 4.291 20 0 GIADMO Cc1cc(Br)c(CNc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000453580569 822387987 /nfs/dbraw/zinc/38/79/87/822387987.db2.gz QNXUMTFLWQEBHO-UHFFFAOYSA-N 1 1 381.339 4.263 20 0 GIADMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2cc3ccccc3o2)C(C)C)cc1 ZINC000178531512 822388500 /nfs/dbraw/zinc/38/85/00/822388500.db2.gz HJRVMAADILQMAO-HXUWFJFHSA-N 1 1 396.487 4.042 20 0 GIADMO Cc1cc(Br)c(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000453588833 822389473 /nfs/dbraw/zinc/38/94/73/822389473.db2.gz MHLVPUAQQNLCHL-SNVBAGLBSA-N 1 1 381.295 4.001 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000178543886 822390057 /nfs/dbraw/zinc/39/00/57/822390057.db2.gz HMWVCSBAMAUEQY-GFCCVEGCSA-N 1 1 377.838 4.138 20 0 GIADMO C[C@@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182919370 822392754 /nfs/dbraw/zinc/39/27/54/822392754.db2.gz YUPZUPXZCRUOED-IEBWSBKVSA-N 1 1 387.543 4.195 20 0 GIADMO C[C@@H](NC(=O)N(C)CCOc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182938301 822396468 /nfs/dbraw/zinc/39/64/68/822396468.db2.gz HKLDGROOPKVYLV-IAGOWNOFSA-N 1 1 393.959 4.013 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182947948 822398138 /nfs/dbraw/zinc/39/81/38/822398138.db2.gz YTAFBRYEKFWJDN-IAGOWNOFSA-N 1 1 386.540 4.056 20 0 GIADMO c1sc2ncnc(N3CC[NH+](Cc4cccnc4)CC3)c2c1-c1ccccc1 ZINC000045668530 822403629 /nfs/dbraw/zinc/40/36/29/822403629.db2.gz MLULNZOHZBROSP-UHFFFAOYSA-N 1 1 387.512 4.076 20 0 GIADMO CC(C)CN(Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S)C1CC1 ZINC000045722122 822408350 /nfs/dbraw/zinc/40/83/50/822408350.db2.gz WYHBIDJKBZDSIB-OAHLLOKOSA-N 1 1 391.560 4.243 20 0 GIADMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000045727907 822408554 /nfs/dbraw/zinc/40/85/54/822408554.db2.gz XBHKHHAFUWMJEC-QHCPKHFHSA-N 1 1 393.531 4.379 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000045727907 822408557 /nfs/dbraw/zinc/40/85/57/822408557.db2.gz XBHKHHAFUWMJEC-QHCPKHFHSA-N 1 1 393.531 4.379 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2sc(C)nc2C)CC1 ZINC000178770535 822408575 /nfs/dbraw/zinc/40/85/75/822408575.db2.gz RQUXDZYHBPWTCT-HUUCEWRRSA-N 1 1 390.572 4.453 20 0 GIADMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178770535 822408576 /nfs/dbraw/zinc/40/85/76/822408576.db2.gz RQUXDZYHBPWTCT-HUUCEWRRSA-N 1 1 390.572 4.453 20 0 GIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000183006022 822409939 /nfs/dbraw/zinc/40/99/39/822409939.db2.gz HPZXICLIKLWFPU-VQTJNVASSA-N 1 1 399.922 4.116 20 0 GIADMO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2ccccc2n1 ZINC000178795342 822410504 /nfs/dbraw/zinc/41/05/04/822410504.db2.gz WFIINIKOYVRGSD-GOSISDBHSA-N 1 1 375.516 4.042 20 0 GIADMO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2ccccc2n1 ZINC000178795330 822410601 /nfs/dbraw/zinc/41/06/01/822410601.db2.gz WFIINIKOYVRGSD-SFHVURJKSA-N 1 1 375.516 4.042 20 0 GIADMO O=C(Nc1ncc(Cc2ccccc2)s1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178806077 822412184 /nfs/dbraw/zinc/41/21/84/822412184.db2.gz LHAIHSIFPBCKSX-PXNSSMCTSA-N 1 1 396.560 4.215 20 0 GIADMO COCCN(Cc1ccco1)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045780049 822412845 /nfs/dbraw/zinc/41/28/45/822412845.db2.gz JGWQVUNBDWCWMW-IBGZPJMESA-N 1 1 399.535 4.012 20 0 GIADMO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045785812 822413533 /nfs/dbraw/zinc/41/35/33/822413533.db2.gz WLPICPOKXXSBQK-ZCNNSNEGSA-N 1 1 395.547 4.198 20 0 GIADMO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000045787889 822413691 /nfs/dbraw/zinc/41/36/91/822413691.db2.gz KZLOGYXFYYXHBL-JTSKRJEESA-N 1 1 396.535 4.262 20 0 GIADMO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000045789379 822414064 /nfs/dbraw/zinc/41/40/64/822414064.db2.gz DDHYGKAIPNADCW-LJQANCHMSA-N 1 1 380.536 4.045 20 0 GIADMO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@H](O)c1ccccc1)OCCO3 ZINC000045793855 822414404 /nfs/dbraw/zinc/41/44/04/822414404.db2.gz WWBKCCYMQXHUIZ-UWJYYQICSA-N 1 1 379.500 4.380 20 0 GIADMO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000183030118 822414461 /nfs/dbraw/zinc/41/44/61/822414461.db2.gz HJCUFQGTARUKFJ-XJKSGUPXSA-N 1 1 397.466 4.312 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000045806284 822415192 /nfs/dbraw/zinc/41/51/92/822415192.db2.gz UBOPNGBWOHEIGL-AWEZNQCLSA-N 1 1 378.419 4.318 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000045806284 822415197 /nfs/dbraw/zinc/41/51/97/822415197.db2.gz UBOPNGBWOHEIGL-AWEZNQCLSA-N 1 1 378.419 4.318 20 0 GIADMO CC(C)=CCC[C@@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000453842977 822415764 /nfs/dbraw/zinc/41/57/64/822415764.db2.gz AUPPXDVMTGOHOC-QZTJIDSGSA-N 1 1 385.552 4.236 20 0 GIADMO CC(C)=CCC[C@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000453842978 822415771 /nfs/dbraw/zinc/41/57/71/822415771.db2.gz AUPPXDVMTGOHOC-ROUUACIJSA-N 1 1 385.552 4.236 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000178843653 822415754 /nfs/dbraw/zinc/41/57/54/822415754.db2.gz AWOJHBQOXLSKNB-INIZCTEOSA-N 1 1 378.929 4.114 20 0 GIADMO O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178851192 822416457 /nfs/dbraw/zinc/41/64/57/822416457.db2.gz BVFIDNUAEDOSQZ-NIKGAXFTSA-N 1 1 389.540 4.021 20 0 GIADMO CC[C@@H](NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CCCC1 ZINC000454020767 822422888 /nfs/dbraw/zinc/42/28/88/822422888.db2.gz GFBPZJOAHDAYFX-HXUWFJFHSA-N 1 1 396.535 4.078 20 0 GIADMO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000183114584 822426291 /nfs/dbraw/zinc/42/62/91/822426291.db2.gz XZXNXUSICSRPPR-JFLLNLJESA-N 1 1 399.343 4.030 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183121948 822427362 /nfs/dbraw/zinc/42/73/62/822427362.db2.gz JLVNQOHGWCHTGW-JIZBTBOESA-N 1 1 397.485 4.167 20 0 GIADMO Cc1cc2oc(=O)cc(C[NH2+][C@H](C[S@@](C)=O)c3ccccc3)c2cc1C(C)C ZINC000183128254 822427928 /nfs/dbraw/zinc/42/79/28/822427928.db2.gz LLOONGGMKDTGLM-LYZGTLIUSA-N 1 1 397.540 4.434 20 0 GIADMO CCc1nn(C)c(CC)c1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000179009121 822429416 /nfs/dbraw/zinc/42/94/16/822429416.db2.gz SXBRFNDUKUJAEV-UHFFFAOYSA-N 1 1 389.906 4.121 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1-n1cccn1 ZINC000183139333 822429553 /nfs/dbraw/zinc/42/95/53/822429553.db2.gz KNUZVXYMVVCETQ-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO Cc1cccc([C@H](C)NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c1 ZINC000454113701 822430806 /nfs/dbraw/zinc/43/08/06/822430806.db2.gz XMZDSPDFAJZNFQ-ZWKOTPCHSA-N 1 1 393.531 4.171 20 0 GIADMO Cc1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)n(Cc2ccccc2)n1 ZINC000045989411 822431363 /nfs/dbraw/zinc/43/13/63/822431363.db2.gz FFYJOQMUAHDZRS-LJQANCHMSA-N 1 1 383.540 4.016 20 0 GIADMO Cc1ccc(-n2cc(C[NH2+]Cc3cccc(N(C)C)n3)c(C(C)(C)C)n2)cc1 ZINC000179034905 822432018 /nfs/dbraw/zinc/43/20/18/822432018.db2.gz GKXBZHZERSYGMG-UHFFFAOYSA-N 1 1 377.536 4.229 20 0 GIADMO C[N@@H+]1CC[C@@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1c1ccccc1 ZINC000179045697 822433180 /nfs/dbraw/zinc/43/31/80/822433180.db2.gz HLSINKHCAYWYAD-NQIIRXRSSA-N 1 1 393.512 4.074 20 0 GIADMO C[N@H+]1CC[C@@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1c1ccccc1 ZINC000179045697 822433182 /nfs/dbraw/zinc/43/31/82/822433182.db2.gz HLSINKHCAYWYAD-NQIIRXRSSA-N 1 1 393.512 4.074 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000183176642 822436049 /nfs/dbraw/zinc/43/60/49/822436049.db2.gz IKJZEPXEGNHKAH-LBPRGKRZSA-N 1 1 390.281 4.075 20 0 GIADMO COCc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000046033032 822437378 /nfs/dbraw/zinc/43/73/78/822437378.db2.gz IHSZLSUSCRQLNM-UHFFFAOYSA-N 1 1 381.520 4.306 20 0 GIADMO Clc1ccc(C[N@@H+]2CCCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000046054121 822438252 /nfs/dbraw/zinc/43/82/52/822438252.db2.gz GYNMYMLFTLHRKA-UHFFFAOYSA-N 1 1 396.922 4.022 20 0 GIADMO Clc1ccc(C[N@H+]2CCCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000046054121 822438254 /nfs/dbraw/zinc/43/82/54/822438254.db2.gz GYNMYMLFTLHRKA-UHFFFAOYSA-N 1 1 396.922 4.022 20 0 GIADMO Cc1cnc([C@@H](C)CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000183193608 822439124 /nfs/dbraw/zinc/43/91/24/822439124.db2.gz UHDAYPVJSVAMCP-IRXDYDNUSA-N 1 1 392.613 4.241 20 0 GIADMO CC[C@H](CNC(=S)Nc1ccc(C(C)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000046106436 822441417 /nfs/dbraw/zinc/44/14/17/822441417.db2.gz YVFZZRGUQYSBMC-OAQYLSRUSA-N 1 1 381.545 4.013 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(C(F)F)c3)CC[N@H+]2C2CC2)c1 ZINC000183238574 822446352 /nfs/dbraw/zinc/44/63/52/822446352.db2.gz GTEOVJMWDLVBPH-PMACEKPBSA-N 1 1 386.442 4.341 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1ncc(Br)s1)c1ccc2c(c1)OCCO2 ZINC000179210278 822451645 /nfs/dbraw/zinc/45/16/45/822451645.db2.gz HYNLIEGVQIKXJZ-ZYHUDNBSSA-N 1 1 383.311 4.479 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3coc4ccccc34)CC[N@H+]2C2CC2)c1 ZINC000183274458 822452084 /nfs/dbraw/zinc/45/20/84/822452084.db2.gz NHAYLUARZXQMCM-RBBKRZOGSA-N 1 1 376.456 4.149 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2nc(C(F)(F)F)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454300633 822454321 /nfs/dbraw/zinc/45/43/21/822454321.db2.gz JUZPYCLXNGJVKI-ZDUSSCGKSA-N 1 1 398.454 4.148 20 0 GIADMO COCc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000179235573 822455387 /nfs/dbraw/zinc/45/53/87/822455387.db2.gz PAJWGABVZFSZQW-NRFANRHFSA-N 1 1 381.520 4.175 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ncc(Br)s1 ZINC000179236114 822455549 /nfs/dbraw/zinc/45/55/49/822455549.db2.gz HSKXLXBGDPZIMY-LLVKDONJSA-N 1 1 391.338 4.371 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000454324224 822458025 /nfs/dbraw/zinc/45/80/25/822458025.db2.gz VJJYGQVSBWWVNN-MAUKXSAKSA-N 1 1 385.474 4.399 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cs1 ZINC000179281902 822460626 /nfs/dbraw/zinc/46/06/26/822460626.db2.gz VLQDELGLPJFZPM-IAGOWNOFSA-N 1 1 390.574 4.305 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cs1 ZINC000179281902 822460628 /nfs/dbraw/zinc/46/06/28/822460628.db2.gz VLQDELGLPJFZPM-IAGOWNOFSA-N 1 1 390.574 4.305 20 0 GIADMO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000183348411 822461997 /nfs/dbraw/zinc/46/19/97/822461997.db2.gz GBQMRSDEYDIDQR-HNNXBMFYSA-N 1 1 397.416 4.041 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183383073 822466603 /nfs/dbraw/zinc/46/66/03/822466603.db2.gz FDABHMVJWIFRKB-BBRMVZONSA-N 1 1 396.384 4.325 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183383073 822466605 /nfs/dbraw/zinc/46/66/05/822466605.db2.gz FDABHMVJWIFRKB-BBRMVZONSA-N 1 1 396.384 4.325 20 0 GIADMO Cc1ccc(SCCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000046404158 822470620 /nfs/dbraw/zinc/47/06/20/822470620.db2.gz WTXYRDPQZNNEGD-UHFFFAOYSA-N 1 1 383.561 4.258 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@@H](C)O1 ZINC000046432536 822472654 /nfs/dbraw/zinc/47/26/54/822472654.db2.gz FONFDNIVADOWTG-HUUCEWRRSA-N 1 1 392.952 4.283 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2csc(-c3ccc(Br)cc3)n2)cnn1C ZINC000183433743 822474202 /nfs/dbraw/zinc/47/42/02/822474202.db2.gz HITWECQMXNAZJM-NSHDSACASA-N 1 1 391.338 4.465 20 0 GIADMO C[C@@H](NC(=O)Nc1cccc(COCC2CC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183441515 822475342 /nfs/dbraw/zinc/47/53/42/822475342.db2.gz FWCBPJFWOOQKBU-YLJYHZDGSA-N 1 1 385.552 4.388 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1OC ZINC000183444498 822475808 /nfs/dbraw/zinc/47/58/08/822475808.db2.gz OCERPXMVFQFGPM-HNNXBMFYSA-N 1 1 388.483 4.080 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnc2ccc(F)cc2c1 ZINC000179391227 822475814 /nfs/dbraw/zinc/47/58/14/822475814.db2.gz MGZSUPNAXYTQBD-FRIKZZABSA-N 1 1 389.474 4.299 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179399746 822477265 /nfs/dbraw/zinc/47/72/65/822477265.db2.gz WWVXENPROPHWKH-CABCVRRESA-N 1 1 399.560 4.091 20 0 GIADMO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OCC(F)F ZINC000183456199 822477667 /nfs/dbraw/zinc/47/76/67/822477667.db2.gz GEOJEKBNGDMAJV-HZPDHXFCSA-N 1 1 395.494 4.413 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1nc2c(s1)CCCC2 ZINC000179407354 822478448 /nfs/dbraw/zinc/47/84/48/822478448.db2.gz BQHXFCNJFRCVLN-IRXDYDNUSA-N 1 1 385.577 4.093 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(N(C)C)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183475362 822481114 /nfs/dbraw/zinc/48/11/14/822481114.db2.gz ZDDJHTVALQQIRT-LSDHHAIUSA-N 1 1 378.948 4.181 20 0 GIADMO Cc1cc2ncc([C@H](C)NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435146 822482241 /nfs/dbraw/zinc/48/22/41/822482241.db2.gz FRFDIMGGWSMLTN-WJPUGNRLSA-N 1 1 383.565 4.141 20 0 GIADMO Cc1cc2ncc([C@H](C)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435146 822482243 /nfs/dbraw/zinc/48/22/43/822482243.db2.gz FRFDIMGGWSMLTN-WJPUGNRLSA-N 1 1 383.565 4.141 20 0 GIADMO CC[C@H](NC(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1)c1ccc(Cl)cc1 ZINC000183488867 822484371 /nfs/dbraw/zinc/48/43/71/822484371.db2.gz QGPGVFMYLNMIKG-WMZOPIPTSA-N 1 1 377.941 4.413 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C2CC2)n1 ZINC000183493870 822485512 /nfs/dbraw/zinc/48/55/12/822485512.db2.gz OPDPCVZWRPRHTQ-YSVLISHTSA-N 1 1 375.563 4.306 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nccs3)cc2)[C@@H]1c1ccccc1 ZINC000179463268 822486336 /nfs/dbraw/zinc/48/63/36/822486336.db2.gz SGFXYDXNYNFYDV-MOPGFXCFSA-N 1 1 378.501 4.377 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C2CC2)n1 ZINC000183505419 822487442 /nfs/dbraw/zinc/48/74/42/822487442.db2.gz YXSNNYJRCMWXLP-BONVTDFDSA-N 1 1 390.509 4.268 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2N2CCCCC2)[C@@H]1c1ccccc1 ZINC000179470732 822487476 /nfs/dbraw/zinc/48/74/76/822487476.db2.gz MEISIARJMCYICE-UNMCSNQZSA-N 1 1 378.520 4.244 20 0 GIADMO CCN(C(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1)[C@H](C)c1ccc(F)cc1 ZINC000183511505 822488009 /nfs/dbraw/zinc/48/80/09/822488009.db2.gz AGABDEJLHCQQFU-KUHUBIRLSA-N 1 1 375.513 4.241 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183511755 822488032 /nfs/dbraw/zinc/48/80/32/822488032.db2.gz MEHIJXVRISJPPB-HOCLYGCPSA-N 1 1 382.508 4.480 20 0 GIADMO Cc1coc(-c2cccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)n1 ZINC000183519221 822489049 /nfs/dbraw/zinc/48/90/49/822489049.db2.gz UOZYRNMMFKMIKQ-WMZOPIPTSA-N 1 1 382.508 4.425 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3cccc4cccnc43)cc2)C1 ZINC000046596484 822489720 /nfs/dbraw/zinc/48/97/20/822489720.db2.gz HJPPEUXTGOCVNR-IBGZPJMESA-N 1 1 387.527 4.326 20 0 GIADMO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1-c1ncco1 ZINC000183526878 822490006 /nfs/dbraw/zinc/49/00/06/822490006.db2.gz COZWGFLJUAZZTR-SJORKVTESA-N 1 1 382.508 4.425 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)C2CC2)n1 ZINC000183539201 822491903 /nfs/dbraw/zinc/49/19/03/822491903.db2.gz SYEKTOPNVKWUIA-AUUYWEPGSA-N 1 1 387.574 4.410 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183538105 822491961 /nfs/dbraw/zinc/49/19/61/822491961.db2.gz HDXPLQUGIGYERO-TZIWHRDSSA-N 1 1 399.560 4.255 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183538139 822491983 /nfs/dbraw/zinc/49/19/83/822491983.db2.gz HDXPLQUGIGYERO-CTNGQTDRSA-N 1 1 399.560 4.255 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000183547993 822493070 /nfs/dbraw/zinc/49/30/70/822493070.db2.gz MIXHEXMUTJFPAW-UHFFFAOYSA-N 1 1 378.501 4.024 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2Br)C2CC2)n1 ZINC000183548816 822493282 /nfs/dbraw/zinc/49/32/82/822493282.db2.gz WOJQCKXZMFTNST-ABAIWWIYSA-N 1 1 394.338 4.282 20 0 GIADMO Clc1ccc(-c2cc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)on2)cc1 ZINC000179510772 822493706 /nfs/dbraw/zinc/49/37/06/822493706.db2.gz DYIPDRWWFCPEPI-OAHLLOKOSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)on2)cc1 ZINC000179510772 822493707 /nfs/dbraw/zinc/49/37/07/822493707.db2.gz DYIPDRWWFCPEPI-OAHLLOKOSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1ccc(-c2cc(C[N@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)on2)cc1 ZINC000179510772 822493709 /nfs/dbraw/zinc/49/37/09/822493709.db2.gz DYIPDRWWFCPEPI-OAHLLOKOSA-N 1 1 383.883 4.370 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C2CC2)n1 ZINC000183559361 822494622 /nfs/dbraw/zinc/49/46/22/822494622.db2.gz MDYDGEHTIOCUJL-CVEARBPZSA-N 1 1 395.450 4.317 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2cccnc2OCC(F)F)cnn1-c1ccc(F)cc1 ZINC000179521233 822496207 /nfs/dbraw/zinc/49/62/07/822496207.db2.gz HJDMTRRTFMZLAV-ZDUSSCGKSA-N 1 1 390.409 4.210 20 0 GIADMO CCOc1cc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1O ZINC000179538763 822499712 /nfs/dbraw/zinc/49/97/12/822499712.db2.gz AKSMHGGMBQRIMQ-JCSUNJAGSA-N 1 1 391.471 4.176 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000454615400 822506708 /nfs/dbraw/zinc/50/67/08/822506708.db2.gz ZVDMBIREOPCXNY-BHIYHBOVSA-N 1 1 379.495 4.164 20 0 GIADMO COc1ccc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cc1CO ZINC000179589811 822508115 /nfs/dbraw/zinc/50/81/15/822508115.db2.gz AUGQPRKFICRLEB-UHFFFAOYSA-N 1 1 390.483 4.072 20 0 GIADMO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000179598189 822510062 /nfs/dbraw/zinc/51/00/62/822510062.db2.gz FVWLMVYIBHJDDJ-SGTLLEGYSA-N 1 1 378.394 4.098 20 0 GIADMO CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2coc(-c3ccccc3)n2)cc1 ZINC000183683849 822510927 /nfs/dbraw/zinc/51/09/27/822510927.db2.gz IKFJOEGQVYCEOJ-QHCPKHFHSA-N 1 1 391.515 4.067 20 0 GIADMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000454648122 822511898 /nfs/dbraw/zinc/51/18/98/822511898.db2.gz YTZNFTIIWCCHMU-IBGZPJMESA-N 1 1 394.519 4.243 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)NC1(Cc2ccc(F)cc2)CC1 ZINC000454657875 822513077 /nfs/dbraw/zinc/51/30/77/822513077.db2.gz QSISYBCCCYDNIS-UHFFFAOYSA-N 1 1 399.535 4.271 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)c(Br)c2)cc1 ZINC000179614522 822513140 /nfs/dbraw/zinc/51/31/40/822513140.db2.gz YRNZIUULAJBZAO-UHFFFAOYSA-N 1 1 381.701 4.094 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000183704333 822514229 /nfs/dbraw/zinc/51/42/29/822514229.db2.gz RXQOSNYAUUJLEL-AWEZNQCLSA-N 1 1 393.325 4.308 20 0 GIADMO Brc1cncc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000183705999 822514415 /nfs/dbraw/zinc/51/44/15/822514415.db2.gz RULUPIDXINHVFM-IHWFROFDSA-N 1 1 386.337 4.129 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000046763191 822514422 /nfs/dbraw/zinc/51/44/22/822514422.db2.gz TZKQAWTWJLYRTA-CALCHBBNSA-N 1 1 388.581 4.196 20 0 GIADMO Clc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179623603 822514636 /nfs/dbraw/zinc/51/46/36/822514636.db2.gz SURODHKWSLIXMK-QGZVFWFLSA-N 1 1 395.938 4.363 20 0 GIADMO CCS[C@@H](C)c1noc(C[NH2+][C@@](C)(CC)COc2ncccc2Cl)n1 ZINC000179628738 822515694 /nfs/dbraw/zinc/51/56/94/822515694.db2.gz PGWRWKYHAWVKAD-SJCJKPOMSA-N 1 1 384.933 4.269 20 0 GIADMO Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000183722523 822516852 /nfs/dbraw/zinc/51/68/52/822516852.db2.gz JZIIINUCOSRPSR-UHFFFAOYSA-N 1 1 391.519 4.343 20 0 GIADMO CO[C@H](C)c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454685551 822517066 /nfs/dbraw/zinc/51/70/66/822517066.db2.gz RADBGEGMHFTFFI-RBUKOAKNSA-N 1 1 381.520 4.380 20 0 GIADMO CCOc1cccc(C[NH2+]Cc2cncc(Br)c2)c1OC(F)F ZINC000183731101 822517894 /nfs/dbraw/zinc/51/78/94/822517894.db2.gz BDJJSUDJGAYIGQ-UHFFFAOYSA-N 1 1 387.224 4.134 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C(F)(F)F)c1 ZINC000454726219 822523900 /nfs/dbraw/zinc/52/39/00/822523900.db2.gz BPXNMRMYLMWNSP-IBGZPJMESA-N 1 1 399.457 4.442 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@](C)(F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454735496 822525058 /nfs/dbraw/zinc/52/50/58/822525058.db2.gz MWBJBJDUNBYJGP-LJHODMEESA-N 1 1 385.886 4.006 20 0 GIADMO FC(F)Oc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1Br ZINC000179678718 822525365 /nfs/dbraw/zinc/52/53/65/822525365.db2.gz KEBXFZUZHLJGEV-GFCCVEGCSA-N 1 1 376.241 4.051 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1cccc(OCc2ccccn2)c1 ZINC000179685991 822527016 /nfs/dbraw/zinc/52/70/16/822527016.db2.gz ATXXABIORGBROW-GOSISDBHSA-N 1 1 399.498 4.307 20 0 GIADMO COc1c(C)c[nH+]c(CN(C)Cc2csc(COc3ccccc3)n2)c1C ZINC000183784478 822527854 /nfs/dbraw/zinc/52/78/54/822527854.db2.gz NAXBSIYCTNIVCN-UHFFFAOYSA-N 1 1 383.517 4.375 20 0 GIADMO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000046904572 822528865 /nfs/dbraw/zinc/52/88/65/822528865.db2.gz FABSLKUFUDDRCC-OAQYLSRUSA-N 1 1 383.536 4.078 20 0 GIADMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000183801157 822529769 /nfs/dbraw/zinc/52/97/69/822529769.db2.gz SKDQFDXKLWBXRO-IWLLYFRBSA-N 1 1 395.459 4.030 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)cs1 ZINC000179707893 822532160 /nfs/dbraw/zinc/53/21/60/822532160.db2.gz MGTKNYRCSYJLQU-MRXNPFEDSA-N 1 1 379.957 4.352 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000046989562 822535982 /nfs/dbraw/zinc/53/59/82/822535982.db2.gz AAQXUWTVVXHWBF-QGZVFWFLSA-N 1 1 389.540 4.418 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000046990467 822536096 /nfs/dbraw/zinc/53/60/96/822536096.db2.gz RRZCWPBVNYVKRM-KRWDZBQOSA-N 1 1 387.499 4.042 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000046991028 822536281 /nfs/dbraw/zinc/53/62/81/822536281.db2.gz BXQAYXNGOFRODI-INIZCTEOSA-N 1 1 378.607 4.407 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](CCCO)c3ccccc3)cs2)cc1 ZINC000179729190 822536577 /nfs/dbraw/zinc/53/65/77/822536577.db2.gz VRPHDBVTIYZFBC-FQEVSTJZSA-N 1 1 396.512 4.200 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@@H](CCCO)c3ccccc3)cs2)cc1OC ZINC000179736207 822538713 /nfs/dbraw/zinc/53/87/13/822538713.db2.gz ZJEQMPNKXRGNIR-IBGZPJMESA-N 1 1 398.528 4.431 20 0 GIADMO OC[C@H]([NH2+]Cc1cc2ccccc2nc1Cl)c1cccc(Br)c1 ZINC000183893229 822541803 /nfs/dbraw/zinc/54/18/03/822541803.db2.gz PIPNYDGVFIPXHB-KRWDZBQOSA-N 1 1 391.696 4.474 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2nc(C)c3ccccc3n2)CC1 ZINC000179750875 822542710 /nfs/dbraw/zinc/54/27/10/822542710.db2.gz JOEAGTZXNKWFBO-UHFFFAOYSA-N 1 1 377.488 4.128 20 0 GIADMO C[N@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179753938 822543605 /nfs/dbraw/zinc/54/36/05/822543605.db2.gz KAMXBLPNNMKMPR-ICSRJNTNSA-N 1 1 392.330 4.079 20 0 GIADMO C[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179753938 822543607 /nfs/dbraw/zinc/54/36/07/822543607.db2.gz KAMXBLPNNMKMPR-ICSRJNTNSA-N 1 1 392.330 4.079 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1 ZINC000179762295 822546047 /nfs/dbraw/zinc/54/60/47/822546047.db2.gz LULJMMDZAYPYRR-DHIUTWEWSA-N 1 1 394.515 4.108 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)C1 ZINC000454862850 822547809 /nfs/dbraw/zinc/54/78/09/822547809.db2.gz ZUEADUZBLJEDCP-SNVBAGLBSA-N 1 1 397.413 4.136 20 0 GIADMO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccccc2)o1 ZINC000179768830 822548814 /nfs/dbraw/zinc/54/88/14/822548814.db2.gz APVCPRNFAVFTDZ-VBKZILBWSA-N 1 1 377.444 4.310 20 0 GIADMO CCCOc1ccc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1OCC ZINC000047174721 822551145 /nfs/dbraw/zinc/55/11/45/822551145.db2.gz ORBGGMWSZJQGMV-UHFFFAOYSA-N 1 1 380.448 4.016 20 0 GIADMO FC(F)SCc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000179780598 822551462 /nfs/dbraw/zinc/55/14/62/822551462.db2.gz SYUWELYIUAOLHC-CYBMUJFWSA-N 1 1 378.448 4.158 20 0 GIADMO FC(F)SCc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)o1 ZINC000179780610 822551555 /nfs/dbraw/zinc/55/15/55/822551555.db2.gz SYUWELYIUAOLHC-ZDUSSCGKSA-N 1 1 378.448 4.158 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000183958617 822553972 /nfs/dbraw/zinc/55/39/72/822553972.db2.gz HELXFWMPDAQBEI-NSHDSACASA-N 1 1 386.348 4.460 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183958964 822554063 /nfs/dbraw/zinc/55/40/63/822554063.db2.gz BNWNLQHYBAZSAE-CHWSQXEVSA-N 1 1 381.929 4.176 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183958964 822554065 /nfs/dbraw/zinc/55/40/65/822554065.db2.gz BNWNLQHYBAZSAE-CHWSQXEVSA-N 1 1 381.929 4.176 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1)c1nccs1 ZINC000183965848 822555251 /nfs/dbraw/zinc/55/52/51/822555251.db2.gz YYIUGLKCLIKRNV-QGZVFWFLSA-N 1 1 379.529 4.408 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1)c1nccs1 ZINC000183965848 822555252 /nfs/dbraw/zinc/55/52/52/822555252.db2.gz YYIUGLKCLIKRNV-QGZVFWFLSA-N 1 1 379.529 4.408 20 0 GIADMO C[C@@H](F)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000454919220 822556685 /nfs/dbraw/zinc/55/66/85/822556685.db2.gz GFMMZADGNOYESE-GYISXVGNSA-N 1 1 381.923 4.301 20 0 GIADMO C[N@@H+](CCCCNC(=O)NCc1cnc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000454921154 822557099 /nfs/dbraw/zinc/55/70/99/822557099.db2.gz VZTWUEHPKOXGBN-UHFFFAOYSA-N 1 1 392.956 4.137 20 0 GIADMO Brc1cc(C[NH+]2CCC(OC3CCCC3)CC2)cc2c1OCCO2 ZINC000179812634 822558101 /nfs/dbraw/zinc/55/81/01/822558101.db2.gz PFCBXQCLKZBIQI-UHFFFAOYSA-N 1 1 396.325 4.144 20 0 GIADMO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cs1 ZINC000047262263 822559689 /nfs/dbraw/zinc/55/96/89/822559689.db2.gz UPNLUHYVCTXWQH-CYBMUJFWSA-N 1 1 392.956 4.340 20 0 GIADMO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cs1 ZINC000047262263 822559691 /nfs/dbraw/zinc/55/96/91/822559691.db2.gz UPNLUHYVCTXWQH-CYBMUJFWSA-N 1 1 392.956 4.340 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nccs1 ZINC000183996262 822560534 /nfs/dbraw/zinc/56/05/34/822560534.db2.gz MDGHICMZTPJAJU-KRWDZBQOSA-N 1 1 383.517 4.000 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nccs1 ZINC000183996262 822560538 /nfs/dbraw/zinc/56/05/38/822560538.db2.gz MDGHICMZTPJAJU-KRWDZBQOSA-N 1 1 383.517 4.000 20 0 GIADMO CC(C)[C@@H]([NH2+]CCOc1ccccc1Br)c1nc(C2CC2)no1 ZINC000179830659 822561896 /nfs/dbraw/zinc/56/18/96/822561896.db2.gz GKXOWDSIZROQPE-OAHLLOKOSA-N 1 1 380.286 4.075 20 0 GIADMO Clc1cccc(N2CCCC2)c1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000179849553 822566015 /nfs/dbraw/zinc/56/60/15/822566015.db2.gz VHNZRYPCJQHJGN-UHFFFAOYSA-N 1 1 376.957 4.109 20 0 GIADMO COc1cc2c(cc1NC(=O)NCCCn1cc[nH+]c1C)oc1ccccc12 ZINC000047336480 822568149 /nfs/dbraw/zinc/56/81/49/822568149.db2.gz HHGPDRLEYNPPID-UHFFFAOYSA-N 1 1 378.432 4.311 20 0 GIADMO Cc1cc(Br)c2ccccc2c1NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000455004690 822569057 /nfs/dbraw/zinc/56/90/57/822569057.db2.gz WHEIOZSNQGYWQY-DYVFJYSZSA-N 1 1 388.309 4.079 20 0 GIADMO Cc1nc([C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)no1 ZINC000179895522 822572912 /nfs/dbraw/zinc/57/29/12/822572912.db2.gz JVSNBJZTSMJVJU-NHCUHLMSSA-N 1 1 396.922 4.375 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2csc(-c3ccc(C)cc3)n2)cn1 ZINC000047385619 822573309 /nfs/dbraw/zinc/57/33/09/822573309.db2.gz VUEVCXFPQAANBQ-UHFFFAOYSA-N 1 1 375.457 4.260 20 0 GIADMO COc1ccc(NC(=O)NCCCn2cc[nH+]c2C)cc1Cc1ccccc1 ZINC000047395796 822574751 /nfs/dbraw/zinc/57/47/51/822574751.db2.gz BKAQQKCPXXVXAK-UHFFFAOYSA-N 1 1 378.476 4.003 20 0 GIADMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083821 822575583 /nfs/dbraw/zinc/57/55/83/822575583.db2.gz OCOIIWWHVQGIEA-SIFCLUCFSA-N 1 1 384.395 4.276 20 0 GIADMO O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)Nc1ccccc1Sc1ccccc1 ZINC000047405777 822575787 /nfs/dbraw/zinc/57/57/87/822575787.db2.gz AKPQXVZUGYXVKL-QGZVFWFLSA-N 1 1 382.529 4.277 20 0 GIADMO C[C@H](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C(=O)c1ccc(Cl)cc1 ZINC000179918883 822577140 /nfs/dbraw/zinc/57/71/40/822577140.db2.gz SLADNJHIURFCMZ-IAGOWNOFSA-N 1 1 378.944 4.177 20 0 GIADMO CCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(OCCC)c(OCC)c2)CC1 ZINC000179922782 822577665 /nfs/dbraw/zinc/57/76/65/822577665.db2.gz CYUPELDWKGCLSH-UHFFFAOYSA-N 1 1 396.959 4.266 20 0 GIADMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000179931664 822579373 /nfs/dbraw/zinc/57/93/73/822579373.db2.gz KGGRBCNPBPXIMZ-QGZVFWFLSA-N 1 1 377.960 4.069 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000179939178 822580943 /nfs/dbraw/zinc/58/09/43/822580943.db2.gz AEXROWLNHBPWTC-UEXGIBASSA-N 1 1 394.987 4.162 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184121928 822581857 /nfs/dbraw/zinc/58/18/57/822581857.db2.gz PCBGRYFJIDOXHQ-HIFRSBDPSA-N 1 1 380.813 4.462 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184121928 822581858 /nfs/dbraw/zinc/58/18/58/822581858.db2.gz PCBGRYFJIDOXHQ-HIFRSBDPSA-N 1 1 380.813 4.462 20 0 GIADMO Cc1csc([C@@H](C)[NH2+]CC(=O)N(C)C(c2ccccc2)c2ccccc2)n1 ZINC000184137531 822584370 /nfs/dbraw/zinc/58/43/70/822584370.db2.gz LMNITZDPEGYSMQ-QGZVFWFLSA-N 1 1 379.529 4.350 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]2C2CC2)cc1)C[C@H]1CCCCO1 ZINC000455079584 822586415 /nfs/dbraw/zinc/58/64/15/822586415.db2.gz SYWMSTLJQTXMNL-FGZHOGPDSA-N 1 1 385.552 4.482 20 0 GIADMO Brc1ccc([C@H]([NH2+]Cc2nnc3n2CCCCC3)C2CC2)cc1 ZINC000179975531 822588877 /nfs/dbraw/zinc/58/88/77/822588877.db2.gz VYMATRGAGJIEPN-GOSISDBHSA-N 1 1 375.314 4.008 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000047544388 822589073 /nfs/dbraw/zinc/58/90/73/822589073.db2.gz XKACTROMXTXFSZ-QGZVFWFLSA-N 1 1 380.488 4.013 20 0 GIADMO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000455107036 822589911 /nfs/dbraw/zinc/58/99/11/822589911.db2.gz FIDUREJJWOTCHZ-UHFFFAOYSA-N 1 1 380.492 4.356 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc3[nH]ccc3c2)cc1F ZINC000179989722 822591838 /nfs/dbraw/zinc/59/18/38/822591838.db2.gz DHJUIGFGLDCXDS-UHFFFAOYSA-N 1 1 376.435 4.050 20 0 GIADMO C[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ncc(Br)s1 ZINC000180010529 822595830 /nfs/dbraw/zinc/59/58/30/822595830.db2.gz RAHJDFRJMPILFG-NEPJUHHUSA-N 1 1 375.332 4.022 20 0 GIADMO Brc1ccc([C@H]([NH2+]Cc2nncn2-c2ccccc2)C2CC2)cc1 ZINC000180012245 822596225 /nfs/dbraw/zinc/59/62/25/822596225.db2.gz RVWNWKMRBOEJQF-LJQANCHMSA-N 1 1 383.293 4.271 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000184210432 822596703 /nfs/dbraw/zinc/59/67/03/822596703.db2.gz JCRWPMQFTCMPIS-UZLBHIALSA-N 1 1 387.474 4.477 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000180015832 822597026 /nfs/dbraw/zinc/59/70/26/822597026.db2.gz OBPBHGJVMHTTHN-OAHLLOKOSA-N 1 1 399.482 4.284 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000184218961 822597876 /nfs/dbraw/zinc/59/78/76/822597876.db2.gz DYKNKEGLOQOTFT-QGZVFWFLSA-N 1 1 377.506 4.069 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000184218961 822597879 /nfs/dbraw/zinc/59/78/79/822597879.db2.gz DYKNKEGLOQOTFT-QGZVFWFLSA-N 1 1 377.506 4.069 20 0 GIADMO Cc1ccc(NC(=O)Cc2c(C)cccc2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000180022578 822598486 /nfs/dbraw/zinc/59/84/86/822598486.db2.gz GDENPKKRZVRFSX-UHFFFAOYSA-N 1 1 393.531 4.217 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000184223788 822598711 /nfs/dbraw/zinc/59/87/11/822598711.db2.gz DQVISQRDJXYKNL-LPHOPBHVSA-N 1 1 391.508 4.081 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000184223788 822598716 /nfs/dbraw/zinc/59/87/16/822598716.db2.gz DQVISQRDJXYKNL-LPHOPBHVSA-N 1 1 391.508 4.081 20 0 GIADMO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)c1 ZINC000180023037 822598790 /nfs/dbraw/zinc/59/87/90/822598790.db2.gz IFAAKNCXOYSXPS-CQSZACIVSA-N 1 1 384.911 4.217 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000184230319 822599842 /nfs/dbraw/zinc/59/98/42/822599842.db2.gz MHAQFRFMWNDVBY-UHFFFAOYSA-N 1 1 381.520 4.004 20 0 GIADMO CC[C@H](C)Sc1ccc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000184248401 822602577 /nfs/dbraw/zinc/60/25/77/822602577.db2.gz FVXFRKZSBGCQMR-MSOLQXFVSA-N 1 1 392.613 4.033 20 0 GIADMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797396 822609694 /nfs/dbraw/zinc/60/96/94/822609694.db2.gz SWYKDIAOVWNDJL-MAUKXSAKSA-N 1 1 392.490 4.039 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccnn1Cc1cccc2ccccc21)C1CC1 ZINC000455223144 822611711 /nfs/dbraw/zinc/61/17/11/822611711.db2.gz WGHYJHYNLZTZTI-UHFFFAOYSA-N 1 1 391.519 4.081 20 0 GIADMO COC(=O)c1sccc1C[NH2+][C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180090388 822613317 /nfs/dbraw/zinc/61/33/17/822613317.db2.gz PKUCLUXEDZRIGF-CQSZACIVSA-N 1 1 377.506 4.429 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000184317033 822613522 /nfs/dbraw/zinc/61/35/22/822613522.db2.gz FTVHUDKSNGBIQL-UHFFFAOYSA-N 1 1 394.519 4.102 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000184317033 822613524 /nfs/dbraw/zinc/61/35/24/822613524.db2.gz FTVHUDKSNGBIQL-UHFFFAOYSA-N 1 1 394.519 4.102 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)o1 ZINC000180095399 822614489 /nfs/dbraw/zinc/61/44/89/822614489.db2.gz AYFYFCZNTMUCEN-UHFFFAOYSA-N 1 1 396.418 4.138 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cccc(O)c1 ZINC000184323726 822615127 /nfs/dbraw/zinc/61/51/27/822615127.db2.gz QVINACRJSMLECN-UHFFFAOYSA-N 1 1 379.287 4.093 20 0 GIADMO COc1ccc(/C=C(\C)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000184329063 822616090 /nfs/dbraw/zinc/61/60/90/822616090.db2.gz BTDNJNAUNDTTIO-DILWRCETSA-N 1 1 396.506 4.218 20 0 GIADMO CCN(CC)[C@@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccsc1 ZINC000180107311 822616594 /nfs/dbraw/zinc/61/65/94/822616594.db2.gz WEJKUZBTJQMTAJ-LEWJYISDSA-N 1 1 386.540 4.383 20 0 GIADMO COc1ccc2oc([C@H](C)[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)c(C)c2c1 ZINC000184337158 822617864 /nfs/dbraw/zinc/61/78/64/822617864.db2.gz LMJJKISCQKBSAV-BTYIYWSLSA-N 1 1 378.472 4.420 20 0 GIADMO CC(C)[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124125 822620291 /nfs/dbraw/zinc/62/02/91/822620291.db2.gz GAKHOFDLNDYANC-JXFKEZNVSA-N 1 1 384.486 4.493 20 0 GIADMO CC(C)[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124125 822620293 /nfs/dbraw/zinc/62/02/93/822620293.db2.gz GAKHOFDLNDYANC-JXFKEZNVSA-N 1 1 384.486 4.493 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)C1 ZINC000180131607 822622091 /nfs/dbraw/zinc/62/20/91/822622091.db2.gz CBRCMVQAKPLLCX-INIZCTEOSA-N 1 1 389.931 4.030 20 0 GIADMO COc1ccc(NC(=O)C[N@H+](Cc2cccc(Cl)c2)C(C)C)c(OC)c1 ZINC000047959390 822622586 /nfs/dbraw/zinc/62/25/86/822622586.db2.gz RQIXNVUOFYQYRP-UHFFFAOYSA-N 1 1 376.884 4.206 20 0 GIADMO COc1ccc(NC(=O)C[N@@H+](Cc2cccc(Cl)c2)C(C)C)c(OC)c1 ZINC000047959390 822622589 /nfs/dbraw/zinc/62/25/89/822622589.db2.gz RQIXNVUOFYQYRP-UHFFFAOYSA-N 1 1 376.884 4.206 20 0 GIADMO Cc1cncc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000184372583 822623839 /nfs/dbraw/zinc/62/38/39/822623839.db2.gz WFZWGBTVLFQKCP-VGOFRKELSA-N 1 1 380.513 4.234 20 0 GIADMO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000184374260 822624207 /nfs/dbraw/zinc/62/42/07/822624207.db2.gz HZIAAICMZYPVGT-BLLLJJGKSA-N 1 1 399.869 4.422 20 0 GIADMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3Br)CC2)C1 ZINC000048046591 822626378 /nfs/dbraw/zinc/62/63/78/822626378.db2.gz HZFWDVFZVIZYPY-AWEZNQCLSA-N 1 1 397.332 4.059 20 0 GIADMO COc1cc(C)cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000455282532 822626445 /nfs/dbraw/zinc/62/64/45/822626445.db2.gz IHAULWDJJSHUKF-SFHVURJKSA-N 1 1 381.520 4.298 20 0 GIADMO CCCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000455283853 822626759 /nfs/dbraw/zinc/62/67/59/822626759.db2.gz NPJJOXFEGUSSEI-XPWALMASSA-N 1 1 377.532 4.088 20 0 GIADMO CCOC[C@H]1CC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000180152952 822628061 /nfs/dbraw/zinc/62/80/61/822628061.db2.gz OUIRJKBHKBCBHO-LBPRGKRZSA-N 1 1 377.120 4.070 20 0 GIADMO CCOC[C@H]1CC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000180152952 822628063 /nfs/dbraw/zinc/62/80/63/822628063.db2.gz OUIRJKBHKBCBHO-LBPRGKRZSA-N 1 1 377.120 4.070 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1nc(C)cs1 ZINC000184408428 822629597 /nfs/dbraw/zinc/62/95/97/822629597.db2.gz ACHFAPLSONWIOP-YUMQZZPRSA-N 1 1 393.381 4.215 20 0 GIADMO CC[N@@H+](CCc1nccs1)Cc1cc2c(cc1Br)OCCCO2 ZINC000180164090 822630415 /nfs/dbraw/zinc/63/04/15/822630415.db2.gz VLCIFUPBPBZHBK-UHFFFAOYSA-N 1 1 397.338 4.132 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1sccc1Br)c1ccccc1Cl ZINC000048091041 822631005 /nfs/dbraw/zinc/63/10/05/822631005.db2.gz NZTQPHOTQNVMPD-CYBMUJFWSA-N 1 1 387.730 4.197 20 0 GIADMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000180170675 822631726 /nfs/dbraw/zinc/63/17/26/822631726.db2.gz DALSTZCKPWLOKX-QGZVFWFLSA-N 1 1 391.987 4.315 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1OC(F)(F)F ZINC000180180408 822633695 /nfs/dbraw/zinc/63/36/95/822633695.db2.gz XDCOYMKNGXLZPT-UHFFFAOYSA-N 1 1 396.434 4.386 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ncccc1C(F)(F)F ZINC000180189348 822635741 /nfs/dbraw/zinc/63/57/41/822635741.db2.gz IEIWFLDUFLKAPC-KRWDZBQOSA-N 1 1 391.437 4.085 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ncccc1C(F)(F)F ZINC000180189331 822635818 /nfs/dbraw/zinc/63/58/18/822635818.db2.gz IEIWFLDUFLKAPC-QGZVFWFLSA-N 1 1 391.437 4.085 20 0 GIADMO CC[C@H]([NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccc2c(c1)OCCO2 ZINC000180200984 822638294 /nfs/dbraw/zinc/63/82/94/822638294.db2.gz XEDMGFQFFNUEEU-SIKLNZKXSA-N 1 1 381.451 4.161 20 0 GIADMO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184456718 822638520 /nfs/dbraw/zinc/63/85/20/822638520.db2.gz WXDFWNSSUHIDNS-ZNMIVQPWSA-N 1 1 389.565 4.366 20 0 GIADMO Cc1c(-c2cc(C[NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)on2)cnn1C ZINC000184467987 822641248 /nfs/dbraw/zinc/64/12/48/822641248.db2.gz CTWDGZAPTZTOQW-UHFFFAOYSA-N 1 1 398.894 4.132 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184468886 822641397 /nfs/dbraw/zinc/64/13/97/822641397.db2.gz YOAAMFWUEXCTMB-RTBURBONSA-N 1 1 388.552 4.499 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184468886 822641400 /nfs/dbraw/zinc/64/14/00/822641400.db2.gz YOAAMFWUEXCTMB-RTBURBONSA-N 1 1 388.552 4.499 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2ccc(C)nc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000184474637 822642367 /nfs/dbraw/zinc/64/23/67/822642367.db2.gz OVOXGKUVRSKAAE-QHCPKHFHSA-N 1 1 394.540 4.290 20 0 GIADMO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1F ZINC000180243693 822646865 /nfs/dbraw/zinc/64/68/65/822646865.db2.gz PDSNKWUPHGMVAN-SFHVURJKSA-N 1 1 378.513 4.143 20 0 GIADMO CCCOc1c(Br)cc(C[NH2+][C@H](CCO)c2ccco2)cc1OC ZINC000184506414 822647231 /nfs/dbraw/zinc/64/72/31/822647231.db2.gz RRDXAGMNTAFKEQ-OAHLLOKOSA-N 1 1 398.297 4.053 20 0 GIADMO NC(=O)COc1cccc(C[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)c1 ZINC000180257409 822649409 /nfs/dbraw/zinc/64/94/09/822649409.db2.gz PCHYUBHZWNQAQO-UHFFFAOYSA-N 1 1 396.874 4.286 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(c2ccc(F)cc2F)CCC1 ZINC000180261945 822650287 /nfs/dbraw/zinc/65/02/87/822650287.db2.gz FVVOEJGZDPNEED-IBGZPJMESA-N 1 1 398.497 4.067 20 0 GIADMO CCN(C(C)=O)c1nc(C[NH2+]CC(C)(C)c2cccc(Cl)c2F)cs1 ZINC000184527308 822651336 /nfs/dbraw/zinc/65/13/36/822651336.db2.gz LBSGYXYAXITZII-UHFFFAOYSA-N 1 1 383.920 4.376 20 0 GIADMO Cc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(F)cc1Br ZINC000455429160 822652071 /nfs/dbraw/zinc/65/20/71/822652071.db2.gz RBWDNEUFNGYUFA-LBPRGKRZSA-N 1 1 398.320 4.235 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1nc(-c2ccccc2)cs1 ZINC000184538185 822653555 /nfs/dbraw/zinc/65/35/55/822653555.db2.gz GZVSYCCNGIROSO-ZFWWWQNUSA-N 1 1 397.466 4.262 20 0 GIADMO Cc1nc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)sc1Cc1ccc(F)cc1 ZINC000455448249 822655978 /nfs/dbraw/zinc/65/59/78/822655978.db2.gz OAKHTPRIPSBRHK-GUYCJALGSA-N 1 1 390.528 4.128 20 0 GIADMO CC(=O)Nc1cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)ccc1C ZINC000048362759 822656512 /nfs/dbraw/zinc/65/65/12/822656512.db2.gz RQQSDEZREKWOPB-LJQANCHMSA-N 1 1 388.899 4.031 20 0 GIADMO Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000455465895 822659963 /nfs/dbraw/zinc/65/99/63/822659963.db2.gz RLAMPYKCPDQNMY-QHCPKHFHSA-N 1 1 384.568 4.325 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2cc(Br)cs2)c2ccc(F)cc2)cn1 ZINC000184584076 822661338 /nfs/dbraw/zinc/66/13/38/822661338.db2.gz PQIWEPGJXXMJRF-MRXNPFEDSA-N 1 1 380.286 4.262 20 0 GIADMO Cc1cc(C)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)n1 ZINC000455480672 822662812 /nfs/dbraw/zinc/66/28/12/822662812.db2.gz OJQRMKXXIRYOLP-SEJPIABJSA-N 1 1 378.520 4.324 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(F)cc1Br ZINC000048451450 822663028 /nfs/dbraw/zinc/66/30/28/822663028.db2.gz OBPHOMUEHXLCFW-ZDUSSCGKSA-N 1 1 386.309 4.364 20 0 GIADMO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455484548 822663550 /nfs/dbraw/zinc/66/35/50/822663550.db2.gz ZHVXCKDVLXGBMZ-GVZPALNKSA-N 1 1 382.335 4.247 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455544565 822672945 /nfs/dbraw/zinc/67/29/45/822672945.db2.gz PFPFWEXDUBVRFY-OAQYLSRUSA-N 1 1 389.421 4.234 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000455572454 822676699 /nfs/dbraw/zinc/67/66/99/822676699.db2.gz ZPLJCJAZSUNZGY-ALOPSCKCSA-N 1 1 389.421 4.421 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](c1ccccc1)C(F)F ZINC000455584920 822678555 /nfs/dbraw/zinc/67/85/55/822678555.db2.gz AZHKEEKKFAYUGQ-LJQANCHMSA-N 1 1 375.463 4.332 20 0 GIADMO CC(=O)N(C)C1CC[NH+](Cc2ccc(Br)cc2SC(C)C)CC1 ZINC000180425354 822679511 /nfs/dbraw/zinc/67/95/11/822679511.db2.gz XINVGHAPUBDBPT-UHFFFAOYSA-N 1 1 399.398 4.392 20 0 GIADMO CCN(CC)[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000184708255 822680166 /nfs/dbraw/zinc/68/01/66/822680166.db2.gz MFPBQUKSVUVWBC-OAQYLSRUSA-N 1 1 397.563 4.081 20 0 GIADMO Cc1c[nH+]c(NCc2ccc([C@H](C)O)cc2)nc1NCc1ccc([C@H](C)O)cc1 ZINC000180430038 822680342 /nfs/dbraw/zinc/68/03/42/822680342.db2.gz FQLXSQFJLJEBRX-IRXDYDNUSA-N 1 1 392.503 4.116 20 0 GIADMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)cc1OCC ZINC000184711998 822680565 /nfs/dbraw/zinc/68/05/65/822680565.db2.gz HVNVAPHGMHNIBT-AWEZNQCLSA-N 1 1 384.480 4.032 20 0 GIADMO O=C(NCCC1CC(F)(F)C1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455598444 822681777 /nfs/dbraw/zinc/68/17/77/822681777.db2.gz NVMWFDGQZUEMSJ-OAQYLSRUSA-N 1 1 391.506 4.120 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@@H]1C ZINC000455600721 822681880 /nfs/dbraw/zinc/68/18/80/822681880.db2.gz RINAXJLIOSJESC-JSGCOSHPSA-N 1 1 395.345 4.058 20 0 GIADMO C[C@@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1)CN1CCN(C)CC1 ZINC000180439829 822682390 /nfs/dbraw/zinc/68/23/90/822682390.db2.gz RVFKBJWTGOOXBU-JTSKRJEESA-N 1 1 389.946 4.042 20 0 GIADMO Cc1c(-c2cc(C[NH2+]C(C)(C)c3ccccc3Br)on2)cnn1C ZINC000184732872 822683662 /nfs/dbraw/zinc/68/36/62/822683662.db2.gz BQVKPOPCHCSIKU-UHFFFAOYSA-N 1 1 389.297 4.171 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000455611286 822684278 /nfs/dbraw/zinc/68/42/78/822684278.db2.gz LOVTTXPFXORJGB-GOSISDBHSA-N 1 1 381.973 4.090 20 0 GIADMO COC[C@@H]([NH2+]Cc1cc(Br)cc2cccnc21)c1ccc(C)o1 ZINC000184751188 822685820 /nfs/dbraw/zinc/68/58/20/822685820.db2.gz UWEOFPLHRSZNJB-MRXNPFEDSA-N 1 1 375.266 4.376 20 0 GIADMO Cc1cc(=O)oc2cc(OCC[N@H+](Cc3ccco3)Cc3cccnc3)ccc12 ZINC000180458514 822685867 /nfs/dbraw/zinc/68/58/67/822685867.db2.gz UUSPCOKUVDMUIR-UHFFFAOYSA-N 1 1 390.439 4.171 20 0 GIADMO Cc1cc(=O)oc2cc(OCC[N@@H+](Cc3ccco3)Cc3cccnc3)ccc12 ZINC000180458514 822685871 /nfs/dbraw/zinc/68/58/71/822685871.db2.gz UUSPCOKUVDMUIR-UHFFFAOYSA-N 1 1 390.439 4.171 20 0 GIADMO CC(C)(C)OC(=O)N1CCC(C[N@@H+](Cc2ccco2)Cc2cccnc2)CC1 ZINC000180460534 822686265 /nfs/dbraw/zinc/68/62/65/822686265.db2.gz BPAWMEQUNOKTFH-UHFFFAOYSA-N 1 1 385.508 4.324 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000180507873 822693353 /nfs/dbraw/zinc/69/33/53/822693353.db2.gz OZUOSXMKJZFSCX-MJGOQNOKSA-N 1 1 383.517 4.235 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3c(C)n[nH]c3C)cs2)c1 ZINC000180510878 822693968 /nfs/dbraw/zinc/69/39/68/822693968.db2.gz DQYLQTCZTBQJKT-GOSISDBHSA-N 1 1 396.516 4.274 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@@H]3c3c(C)n[nH]c3C)cs2)c1 ZINC000180510878 822693971 /nfs/dbraw/zinc/69/39/71/822693971.db2.gz DQYLQTCZTBQJKT-GOSISDBHSA-N 1 1 396.516 4.274 20 0 GIADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455665296 822695131 /nfs/dbraw/zinc/69/51/31/822695131.db2.gz OQSOVEGYZZRNPL-FQEVSTJZSA-N 1 1 381.520 4.223 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000180520491 822695464 /nfs/dbraw/zinc/69/54/64/822695464.db2.gz BWFYAYKETORSNW-CQSZACIVSA-N 1 1 398.841 4.057 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000180520491 822695466 /nfs/dbraw/zinc/69/54/66/822695466.db2.gz BWFYAYKETORSNW-CQSZACIVSA-N 1 1 398.841 4.057 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000184843923 822698965 /nfs/dbraw/zinc/69/89/65/822698965.db2.gz OBFPNMLHAFHVBA-UHFFFAOYSA-N 1 1 396.506 4.268 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455683653 822700225 /nfs/dbraw/zinc/70/02/25/822700225.db2.gz XXMNQYJDKKYPTB-OAQYLSRUSA-N 1 1 393.535 4.263 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000455690168 822702708 /nfs/dbraw/zinc/70/27/08/822702708.db2.gz FBWIWCJAINPXPN-RDJZCZTQSA-N 1 1 379.291 4.264 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000455690168 822702712 /nfs/dbraw/zinc/70/27/12/822702712.db2.gz FBWIWCJAINPXPN-RDJZCZTQSA-N 1 1 379.291 4.264 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccnn1C1CCCC1 ZINC000180575903 822705339 /nfs/dbraw/zinc/70/53/39/822705339.db2.gz ZKCGRSLMHMIVGP-INIZCTEOSA-N 1 1 398.404 4.359 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)N1CCc2sccc2C1 ZINC000180577544 822705504 /nfs/dbraw/zinc/70/55/04/822705504.db2.gz SMIXERASWLTRLS-OAHLLOKOSA-N 1 1 386.414 4.055 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N(C)[C@H]1CCCc2ccccc21)[NH+](C)C ZINC000049789618 822709415 /nfs/dbraw/zinc/70/94/15/822709415.db2.gz YRNTYMHRCGXQSM-SFTDATJTSA-N 1 1 381.520 4.017 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2OCCF)[C@@H]1c1cccs1 ZINC000455720630 822713204 /nfs/dbraw/zinc/71/32/04/822713204.db2.gz 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CC(C)Oc1cccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000455773204 822723901 /nfs/dbraw/zinc/72/39/01/822723901.db2.gz UFEJFBITIGQTFC-FQEVSTJZSA-N 1 1 381.520 4.460 20 0 GIADMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000050783588 822738764 /nfs/dbraw/zinc/73/87/64/822738764.db2.gz WCTAPADVVTUSEE-ZJSXRUAMSA-N 1 1 390.458 4.145 20 0 GIADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000455860359 822738793 /nfs/dbraw/zinc/73/87/93/822738793.db2.gz MCJPCQBYUJPQFS-BHYGNILZSA-N 1 1 381.347 4.287 20 0 GIADMO C[N@@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000050928079 822742646 /nfs/dbraw/zinc/74/26/46/822742646.db2.gz WFLMOJJPCIMLFT-WIYYLYMNSA-N 1 1 380.448 4.002 20 0 GIADMO C[N@@H+](CC(=O)Nc1cccc(CSc2ccccn2)c1)C(C1CC1)C1CC1 ZINC000050965707 822743408 /nfs/dbraw/zinc/74/34/08/822743408.db2.gz CQCYWBJQXFESSJ-UHFFFAOYSA-N 1 1 381.545 4.433 20 0 GIADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 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378.545 4.205 20 0 GIADMO CC(C)[C@H]1C[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185224406 822751468 /nfs/dbraw/zinc/75/14/68/822751468.db2.gz OYTWVGOGZNKHHO-RTBURBONSA-N 1 1 382.470 4.420 20 0 GIADMO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000185239935 822753441 /nfs/dbraw/zinc/75/34/41/822753441.db2.gz LOPUKPCRCCCXQP-UHFFFAOYSA-N 1 1 383.876 4.080 20 0 GIADMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1)N1CCc2ccccc21 ZINC000185242043 822753701 /nfs/dbraw/zinc/75/37/01/822753701.db2.gz IEUOGQVYWAEDCK-UHFFFAOYSA-N 1 1 399.878 4.050 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000185243354 822753928 /nfs/dbraw/zinc/75/39/28/822753928.db2.gz ISNCYBDZWWIMPU-XPGWFJOJSA-N 1 1 386.927 4.130 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000051283806 822754149 /nfs/dbraw/zinc/75/41/49/822754149.db2.gz SNTSVEALRXJPTD-GOSISDBHSA-N 1 1 388.895 4.441 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000051283806 822754151 /nfs/dbraw/zinc/75/41/51/822754151.db2.gz SNTSVEALRXJPTD-GOSISDBHSA-N 1 1 388.895 4.441 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)cc1)[NH+]1CCOCC1 ZINC000185247165 822754463 /nfs/dbraw/zinc/75/44/63/822754463.db2.gz YQBVIAGLBLCVBH-HMFYCAOWSA-N 1 1 394.519 4.090 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cccc(OC(F)F)c1 ZINC000051302343 822755031 /nfs/dbraw/zinc/75/50/31/822755031.db2.gz BKZOIXCPQKMQII-UHFFFAOYSA-N 1 1 391.462 4.128 20 0 GIADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185258813 822755767 /nfs/dbraw/zinc/75/57/67/822755767.db2.gz IIILGQZNLPSMEQ-JFIYKMOQSA-N 1 1 390.955 4.318 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)s1 ZINC000185279371 822758695 /nfs/dbraw/zinc/75/86/95/822758695.db2.gz BGTSVQFZXXRSIT-DNVCBOLYSA-N 1 1 384.549 4.120 20 0 GIADMO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)sc1Cl ZINC000185282050 822759173 /nfs/dbraw/zinc/75/91/73/822759173.db2.gz OAJCBTZWGFQAQY-SNVBAGLBSA-N 1 1 390.311 4.276 20 0 GIADMO CC[N@H+](CCOc1ccccc1OC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000051424560 822759587 /nfs/dbraw/zinc/75/95/87/822759587.db2.gz CCICYJPJSOCQTI-UHFFFAOYSA-N 1 1 396.409 4.053 20 0 GIADMO CC[N@@H+](CCOc1ccccc1OC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000051424560 822759588 /nfs/dbraw/zinc/75/95/88/822759588.db2.gz CCICYJPJSOCQTI-UHFFFAOYSA-N 1 1 396.409 4.053 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)cc(Br)c3)C2)C1 ZINC000455973955 822759742 /nfs/dbraw/zinc/75/97/42/822759742.db2.gz RTDHTXQMOKJHMC-INIZCTEOSA-N 1 1 386.721 4.052 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000051454340 822760697 /nfs/dbraw/zinc/76/06/97/822760697.db2.gz QGWCZBMBMMMDJW-OAHLLOKOSA-N 1 1 390.911 4.009 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000051454340 822760699 /nfs/dbraw/zinc/76/06/99/822760699.db2.gz QGWCZBMBMMMDJW-OAHLLOKOSA-N 1 1 390.911 4.009 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nc2ccccc2s1 ZINC000174279505 822761984 /nfs/dbraw/zinc/76/19/84/822761984.db2.gz HJKIMKNATMPUFW-KRWDZBQOSA-N 1 1 380.517 4.282 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C2CC2)s1 ZINC000185306770 822763093 /nfs/dbraw/zinc/76/30/93/822763093.db2.gz GALIELRGKXELQT-KRWDZBQOSA-N 1 1 398.359 4.458 20 0 GIADMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C2CC2)n1 ZINC000455993970 822763290 /nfs/dbraw/zinc/76/32/90/822763290.db2.gz MFWHFULDPGLXAX-IRLDBZIGSA-N 1 1 399.485 4.499 20 0 GIADMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C2CC2)n1 ZINC000455993970 822763292 /nfs/dbraw/zinc/76/32/92/822763292.db2.gz MFWHFULDPGLXAX-IRLDBZIGSA-N 1 1 399.485 4.499 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000174288739 822763739 /nfs/dbraw/zinc/76/37/39/822763739.db2.gz AXMGYLMWNSQGKC-QGZVFWFLSA-N 1 1 377.492 4.094 20 0 GIADMO COCC[NH+]1CCC(N[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000174301819 822767252 /nfs/dbraw/zinc/76/72/52/822767252.db2.gz MGRSSFVNNXGCAB-LBPRGKRZSA-N 1 1 398.391 4.486 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000174310628 822768966 /nfs/dbraw/zinc/76/89/66/822768966.db2.gz GVUBDZFZYDEWPO-UHFFFAOYSA-N 1 1 396.535 4.232 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)CC1 ZINC000174311299 822769103 /nfs/dbraw/zinc/76/91/03/822769103.db2.gz ZHLPUDXFNRQQIY-UHFFFAOYSA-N 1 1 381.520 4.458 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[NH2+][C@@H](c2ncc(C)s2)C2CC2)C(C)C)cc1 ZINC000185351655 822769755 /nfs/dbraw/zinc/76/97/55/822769755.db2.gz RALCCLNGCWERQI-VQTJNVASSA-N 1 1 387.549 4.014 20 0 GIADMO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c1 ZINC000185352633 822769973 /nfs/dbraw/zinc/76/99/73/822769973.db2.gz GFJBJPYMYSBMLI-AWEZNQCLSA-N 1 1 377.326 4.457 20 0 GIADMO CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])c1 ZINC000185352633 822769974 /nfs/dbraw/zinc/76/99/74/822769974.db2.gz GFJBJPYMYSBMLI-AWEZNQCLSA-N 1 1 377.326 4.457 20 0 GIADMO COc1ccc([C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccc(F)cc2)cc1 ZINC000174324692 822771070 /nfs/dbraw/zinc/77/10/70/822771070.db2.gz IPPNSIAXDLASNG-QGCDCVKKSA-N 1 1 399.510 4.048 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(COC(C)C)cc2)cc1 ZINC000051649537 822771556 /nfs/dbraw/zinc/77/15/56/822771556.db2.gz ITSZXTNYULXODY-HSZRJFAPSA-N 1 1 396.531 4.074 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1OC ZINC000051653244 822771617 /nfs/dbraw/zinc/77/16/17/822771617.db2.gz KRVRJSCYYBQGHV-NVXWUHKLSA-N 1 1 388.533 4.170 20 0 GIADMO CC(=O)Nc1cc(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)ccc1C ZINC000185375978 822774477 /nfs/dbraw/zinc/77/44/77/822774477.db2.gz VKRYQANQNZIOAH-JOCHJYFZSA-N 1 1 396.535 4.232 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000174343993 822775414 /nfs/dbraw/zinc/77/54/14/822775414.db2.gz ODFVOIKAHAAUDF-OAHLLOKOSA-N 1 1 397.357 4.040 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000174344997 822775648 /nfs/dbraw/zinc/77/56/48/822775648.db2.gz ZOLOEQRXURVJHS-FQEVSTJZSA-N 1 1 379.504 4.265 20 0 GIADMO Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000174349235 822776226 /nfs/dbraw/zinc/77/62/26/822776226.db2.gz CXAIOWXLZAFNAC-OAQYLSRUSA-N 1 1 385.446 4.354 20 0 GIADMO CC(C)CCn1nc(CNC(=O)CCn2cc[nH+]c2C(C)C)c2ccccc21 ZINC000456115406 822779609 /nfs/dbraw/zinc/77/96/09/822779609.db2.gz BZEVZOQOIRUFSZ-UHFFFAOYSA-N 1 1 381.524 4.109 20 0 GIADMO CCN(C(C)=O)c1nc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)cs1 ZINC000185417917 822781297 /nfs/dbraw/zinc/78/12/97/822781297.db2.gz SZRWSTMKYKXCSX-OAQYLSRUSA-N 1 1 395.528 4.006 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000174383250 822781436 /nfs/dbraw/zinc/78/14/36/822781436.db2.gz KXXNOHMHGOKGNZ-KRWDZBQOSA-N 1 1 377.435 4.192 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccccc1 ZINC000174388282 822782143 /nfs/dbraw/zinc/78/21/43/822782143.db2.gz QQYDFSWKUOKEIB-HSZRJFAPSA-N 1 1 390.531 4.000 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1F ZINC000174393450 822783232 /nfs/dbraw/zinc/78/32/32/822783232.db2.gz DBOFGCASFFQTIA-INIZCTEOSA-N 1 1 375.875 4.465 20 0 GIADMO CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)CC1CCN(c2ccccn2)CC1 ZINC000174394285 822783366 /nfs/dbraw/zinc/78/33/66/822783366.db2.gz UXMXBWQGFOWCRH-UHFFFAOYSA-N 1 1 391.519 4.179 20 0 GIADMO Cn1cccc1[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000174395520 822783535 /nfs/dbraw/zinc/78/35/35/822783535.db2.gz IGTCFVYCBGZZOV-KNQAVFIVSA-N 1 1 383.511 4.130 20 0 GIADMO COc1ccc(-c2cnc(CN3CC[NH+]([C@H](C)c4ccsc4)CC3)o2)cc1 ZINC000185443014 822784634 /nfs/dbraw/zinc/78/46/34/822784634.db2.gz JUJFSWGRIGLJMZ-MRXNPFEDSA-N 1 1 383.517 4.291 20 0 GIADMO CN(Cc1nc2ccccc2n1C(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174399855 822784668 /nfs/dbraw/zinc/78/46/68/822784668.db2.gz GRBXAPPMLQKQRY-SFHVURJKSA-N 1 1 384.474 4.385 20 0 GIADMO CCc1cccc(CC)c1NC(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402289 822784954 /nfs/dbraw/zinc/78/49/54/822784954.db2.gz ZRWPCQVXISPJRK-NRFANRHFSA-N 1 1 393.575 4.204 20 0 GIADMO C[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174404721 822785607 /nfs/dbraw/zinc/78/56/07/822785607.db2.gz RKXIXDYMVBREHT-LJQANCHMSA-N 1 1 385.939 4.123 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174404721 822785609 /nfs/dbraw/zinc/78/56/09/822785609.db2.gz RKXIXDYMVBREHT-LJQANCHMSA-N 1 1 385.939 4.123 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cc(Br)ccc1O ZINC000185459166 822786900 /nfs/dbraw/zinc/78/69/00/822786900.db2.gz PGQFRORREXSXIG-GFCCVEGCSA-N 1 1 381.289 4.206 20 0 GIADMO O[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000174424020 822788176 /nfs/dbraw/zinc/78/81/76/822788176.db2.gz SNBPCQHPRRIHRC-IBGZPJMESA-N 1 1 379.331 4.281 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccccc1OC(F)F ZINC000052034899 822788884 /nfs/dbraw/zinc/78/88/84/822788884.db2.gz ULBREODJRKSDBY-INIZCTEOSA-N 1 1 378.394 4.073 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccccc1OC(F)F ZINC000052034899 822788885 /nfs/dbraw/zinc/78/88/85/822788885.db2.gz ULBREODJRKSDBY-INIZCTEOSA-N 1 1 378.394 4.073 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(F)c(OC)c(F)c2OC)cc1)C1CC1 ZINC000456238401 822789113 /nfs/dbraw/zinc/78/91/13/822789113.db2.gz BOZAMMGHOXZISC-UHFFFAOYSA-N 1 1 390.430 4.219 20 0 GIADMO C[C@@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000174433752 822789441 /nfs/dbraw/zinc/78/94/41/822789441.db2.gz BVNPQJWMCWJSRP-QGZVFWFLSA-N 1 1 396.922 4.486 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](CC)C[C@H]3CCOC3)cs2)cc1OC ZINC000052072459 822789638 /nfs/dbraw/zinc/78/96/38/822789638.db2.gz SYLYLRALWSFANP-OAHLLOKOSA-N 1 1 376.522 4.076 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000456261142 822791115 /nfs/dbraw/zinc/79/11/15/822791115.db2.gz CNQQDXRQCCYCBA-OAHLLOKOSA-N 1 1 394.288 4.102 20 0 GIADMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000052161920 822791715 /nfs/dbraw/zinc/79/17/15/822791715.db2.gz OWPCZLUQONRPKT-OAHLLOKOSA-N 1 1 385.895 4.098 20 0 GIADMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000052161920 822791717 /nfs/dbraw/zinc/79/17/17/822791717.db2.gz OWPCZLUQONRPKT-OAHLLOKOSA-N 1 1 385.895 4.098 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000052186864 822792763 /nfs/dbraw/zinc/79/27/63/822792763.db2.gz OQFFRZHLNFVETI-UHFFFAOYSA-N 1 1 389.927 4.466 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000174459448 822793027 /nfs/dbraw/zinc/79/30/27/822793027.db2.gz WNROCQSYMJMYCT-BEFAXECRSA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000174459448 822793028 /nfs/dbraw/zinc/79/30/28/822793028.db2.gz WNROCQSYMJMYCT-BEFAXECRSA-N 1 1 388.895 4.139 20 0 GIADMO O[C@@H](C[C@H]1COCC[N@H+]1CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000185521326 822793164 /nfs/dbraw/zinc/79/31/64/822793164.db2.gz OWZFUZDFLVCLFU-CKUJCDMFSA-N 1 1 377.472 4.241 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000052232559 822793829 /nfs/dbraw/zinc/79/38/29/822793829.db2.gz NDECBLMSKYWZNH-UHFFFAOYSA-N 1 1 377.473 4.290 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000052230371 822793874 /nfs/dbraw/zinc/79/38/74/822793874.db2.gz VAUGFCXMJRHFBS-UHFFFAOYSA-N 1 1 380.292 4.051 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1 ZINC000174473546 822794864 /nfs/dbraw/zinc/79/48/64/822794864.db2.gz FJNRJCYXCNFGBV-GOSISDBHSA-N 1 1 386.923 4.333 20 0 GIADMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482228 822795445 /nfs/dbraw/zinc/79/54/45/822795445.db2.gz VWRUGQPXFHGQIH-RDTXWAMCSA-N 1 1 394.313 4.135 20 0 GIADMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482228 822795448 /nfs/dbraw/zinc/79/54/48/822795448.db2.gz VWRUGQPXFHGQIH-RDTXWAMCSA-N 1 1 394.313 4.135 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1 ZINC000174492373 822796379 /nfs/dbraw/zinc/79/63/79/822796379.db2.gz HWIQTZLMKZACKY-DYESRHJHSA-N 1 1 386.536 4.459 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)NC[C@@H](C)Cn3cc[nH+]c3C)cc2)cc1 ZINC000174500804 822797529 /nfs/dbraw/zinc/79/75/29/822797529.db2.gz VOEFZGQZCJHRBF-QGZVFWFLSA-N 1 1 392.503 4.003 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(CCc1ccc(C)cc1)Cc1ccco1 ZINC000174502666 822797785 /nfs/dbraw/zinc/79/77/85/822797785.db2.gz VSYICTZFIACYPP-IBGZPJMESA-N 1 1 394.519 4.184 20 0 GIADMO C[C@@H]1CN(C(=O)C2CCC(C(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456331637 822799254 /nfs/dbraw/zinc/79/92/54/822799254.db2.gz KIFQVXFYHIAGRS-IVMQYODDSA-N 1 1 382.470 4.336 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)C1 ZINC000174514755 822799659 /nfs/dbraw/zinc/79/96/59/822799659.db2.gz IKUNRQNMHFKVDQ-SFHVURJKSA-N 1 1 394.519 4.053 20 0 GIADMO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000052442440 822799852 /nfs/dbraw/zinc/79/98/52/822799852.db2.gz GFAXDIDZKOJJPE-INIZCTEOSA-N 1 1 384.907 4.286 20 0 GIADMO CCCOc1ccc(-c2nc(C(=O)N3CC[C@@H](C[N@@H+](C)CC)C3)cs2)cc1 ZINC000174521842 822800521 /nfs/dbraw/zinc/80/05/21/822800521.db2.gz JCKDKIPVNIVIKW-INIZCTEOSA-N 1 1 387.549 4.013 20 0 GIADMO C[C@@H]1CN(C(=O)c2coc(C3CCCCC3)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456343132 822800542 /nfs/dbraw/zinc/80/05/42/822800542.db2.gz QWISXCLOAFBDQS-SFHVURJKSA-N 1 1 381.520 4.316 20 0 GIADMO COc1ccc(N2CCC[N@@H+](Cc3ccc(OC(F)F)c(OC)c3)CC2)cc1 ZINC000052466215 822800849 /nfs/dbraw/zinc/80/08/49/822800849.db2.gz VWCSZPHNZQKRCS-UHFFFAOYSA-N 1 1 392.446 4.018 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000174527025 822801378 /nfs/dbraw/zinc/80/13/78/822801378.db2.gz RPQBWCRIAAFENY-FQEVSTJZSA-N 1 1 375.516 4.103 20 0 GIADMO C[C@H]1CN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456351900 822801362 /nfs/dbraw/zinc/80/13/62/822801362.db2.gz XIWAXOKFDHTJHK-NEWSRXKRSA-N 1 1 382.470 4.336 20 0 GIADMO C[C@@H]1CN(C(=O)c2cccc([C@@H]3CCCOC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456352561 822801563 /nfs/dbraw/zinc/80/15/63/822801563.db2.gz YERXNPCNJONZRQ-GBXCKJPGSA-N 1 1 392.543 4.175 20 0 GIADMO CCOCc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000052518278 822802426 /nfs/dbraw/zinc/80/24/26/822802426.db2.gz PYGKGQWWQJKJEW-QGZVFWFLSA-N 1 1 380.488 4.279 20 0 GIADMO CCOCc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)cc1 ZINC000052518278 822802430 /nfs/dbraw/zinc/80/24/30/822802430.db2.gz PYGKGQWWQJKJEW-QGZVFWFLSA-N 1 1 380.488 4.279 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000185634129 822804753 /nfs/dbraw/zinc/80/47/53/822804753.db2.gz ZZHYDIGZQGEAKM-UHFFFAOYSA-N 1 1 398.308 4.008 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(Br)ccc1F ZINC000185640664 822805658 /nfs/dbraw/zinc/80/56/58/822805658.db2.gz ZZYYJXNVVZVFPZ-UHFFFAOYSA-N 1 1 376.273 4.500 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC000185652803 822807072 /nfs/dbraw/zinc/80/70/72/822807072.db2.gz OPCAGWGPLCWNCE-GFCCVEGCSA-N 1 1 377.414 4.165 20 0 GIADMO CN(C(=O)c1cc(Cl)cc(Cl)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000185660778 822807776 /nfs/dbraw/zinc/80/77/76/822807776.db2.gz KPLNYRADZMFWRW-INIZCTEOSA-N 1 1 378.303 4.125 20 0 GIADMO CC[C@H](NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185665172 822808109 /nfs/dbraw/zinc/80/81/09/822808109.db2.gz MLVMVUVRSVQBGT-CDXJDZJCSA-N 1 1 391.987 4.150 20 0 GIADMO COC(=O)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000185666266 822808299 /nfs/dbraw/zinc/80/82/99/822808299.db2.gz AXTQPIHDCKGOCV-CVEARBPZSA-N 1 1 395.459 4.009 20 0 GIADMO C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671329 822808595 /nfs/dbraw/zinc/80/85/95/822808595.db2.gz SGDXMUDCLGOCQW-AJYBTWMASA-N 1 1 389.609 4.043 20 0 GIADMO C[N@@H+](CCSc1nnc(NCc2ccco2)s1)Cc1ccc(F)cc1 ZINC000185684709 822809947 /nfs/dbraw/zinc/80/99/47/822809947.db2.gz CVGNRFMDIHDGMO-UHFFFAOYSA-N 1 1 378.498 4.106 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174598978 822810270 /nfs/dbraw/zinc/81/02/70/822810270.db2.gz YDSPLASNTGUNBT-ZNXRZULTSA-N 1 1 376.907 4.078 20 0 GIADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174599883 822810323 /nfs/dbraw/zinc/81/03/23/822810323.db2.gz DBCQTIDCJZVASC-YQQQUEKLSA-N 1 1 390.934 4.137 20 0 GIADMO CC(=O)N(c1nc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cs1)c1ccc(C)cc1 ZINC000174600006 822810469 /nfs/dbraw/zinc/81/04/69/822810469.db2.gz IRHIAFKCBZASAX-PRJVBOEPSA-N 1 1 398.576 4.241 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCCc1ccccc1 ZINC000052802907 822810811 /nfs/dbraw/zinc/81/08/11/822810811.db2.gz FCDICYGCOHGZDK-FQEVSTJZSA-N 1 1 390.531 4.381 20 0 GIADMO C[C@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697247 822811043 /nfs/dbraw/zinc/81/10/43/822811043.db2.gz ILCKMSXDXOZIEL-UONOGXRCSA-N 1 1 384.351 4.175 20 0 GIADMO CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1OC ZINC000052804309 822811152 /nfs/dbraw/zinc/81/11/52/822811152.db2.gz OZXICDIMRLDLSX-MAUKXSAKSA-N 1 1 388.533 4.170 20 0 GIADMO CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1OC ZINC000052804309 822811156 /nfs/dbraw/zinc/81/11/56/822811156.db2.gz OZXICDIMRLDLSX-MAUKXSAKSA-N 1 1 388.533 4.170 20 0 GIADMO COC(=O)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000185701656 822811692 /nfs/dbraw/zinc/81/16/92/822811692.db2.gz NRYBTSFNLPIABV-CVEARBPZSA-N 1 1 380.444 4.305 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H](c3ccc(C(C)C)cc3)C(C)C)C2)n1 ZINC000052861963 822813068 /nfs/dbraw/zinc/81/30/68/822813068.db2.gz BGBVVUYOGXCACF-IFMALSPDSA-N 1 1 398.551 4.194 20 0 GIADMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N[C@@H](c3ccc(C(C)C)cc3)C(C)C)C2)n1 ZINC000052861963 822813070 /nfs/dbraw/zinc/81/30/70/822813070.db2.gz BGBVVUYOGXCACF-IFMALSPDSA-N 1 1 398.551 4.194 20 0 GIADMO CCC[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174617705 822813141 /nfs/dbraw/zinc/81/31/41/822813141.db2.gz RPWYQXZXUQOPMU-FGTMMUONSA-N 1 1 383.458 4.425 20 0 GIADMO COc1ccc(C[N@H+](Cc2csc(-c3ncccn3)n2)[C@@H](C)C2CC2)cc1 ZINC000052867405 822813497 /nfs/dbraw/zinc/81/34/97/822813497.db2.gz IACQLFNGYPMRGY-HNNXBMFYSA-N 1 1 380.517 4.409 20 0 GIADMO COc1ccc(C[N@@H+](Cc2csc(-c3ncccn3)n2)[C@@H](C)C2CC2)cc1 ZINC000052867405 822813500 /nfs/dbraw/zinc/81/35/00/822813500.db2.gz IACQLFNGYPMRGY-HNNXBMFYSA-N 1 1 380.517 4.409 20 0 GIADMO C[C@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715400 822813512 /nfs/dbraw/zinc/81/35/12/822813512.db2.gz BUUPJQHFPXXEPE-ZWKOTPCHSA-N 1 1 396.554 4.243 20 0 GIADMO COc1ccc(C[N@@H+](Cc2csc(-c3cnn(C)c3)n2)[C@@H](C)C2CC2)cc1 ZINC000052867121 822813565 /nfs/dbraw/zinc/81/35/65/822813565.db2.gz YQRGPTOBWTXSBN-HNNXBMFYSA-N 1 1 382.533 4.353 20 0 GIADMO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000456543347 822814373 /nfs/dbraw/zinc/81/43/73/822814373.db2.gz PXBZQZRLESQIOX-AQNXPRMDSA-N 1 1 384.545 4.139 20 0 GIADMO COc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C)cc2)c(OC)cc1Cl ZINC000052907644 822814788 /nfs/dbraw/zinc/81/47/88/822814788.db2.gz XCYQVCRVPDKRQN-AWEZNQCLSA-N 1 1 376.884 4.297 20 0 GIADMO COc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)c(OC)cc1Cl ZINC000052907644 822814792 /nfs/dbraw/zinc/81/47/92/822814792.db2.gz XCYQVCRVPDKRQN-AWEZNQCLSA-N 1 1 376.884 4.297 20 0 GIADMO C[C@@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728395 822815189 /nfs/dbraw/zinc/81/51/89/822815189.db2.gz WGVVLCQBGWVMLZ-VQIMIIECSA-N 1 1 380.532 4.024 20 0 GIADMO C[C@H](NCc1coc(-c2c(F)cccc2F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730382 822815504 /nfs/dbraw/zinc/81/55/04/822815504.db2.gz MPHPEQOEGVBOMZ-GJZGRUSLSA-N 1 1 375.463 4.362 20 0 GIADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000052918967 822815653 /nfs/dbraw/zinc/81/56/53/822815653.db2.gz ZRRIAPKDYQPCJB-HNNXBMFYSA-N 1 1 394.910 4.095 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2ccsc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174649909 822817666 /nfs/dbraw/zinc/81/76/66/822817666.db2.gz URKDMVUXPOOJMB-HXUWFJFHSA-N 1 1 387.526 4.039 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753599 822817871 /nfs/dbraw/zinc/81/78/71/822817871.db2.gz KWWPOQUDYRLKCO-IXDOHACOSA-N 1 1 377.960 4.218 20 0 GIADMO Nc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1F ZINC000185757235 822818178 /nfs/dbraw/zinc/81/81/78/822818178.db2.gz VGEAEOLGQSEINF-UHFFFAOYSA-N 1 1 388.078 4.223 20 0 GIADMO Cc1cc2c(cc1C)[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC000185763061 822818768 /nfs/dbraw/zinc/81/87/68/822818768.db2.gz ZIAXNUJLRSRHRY-ZYJGPIPZSA-N 1 1 390.527 4.091 20 0 GIADMO C[N@@H+](Cc1cc(Cl)cc2cccnc21)C1CCN(CCc2ccccn2)CC1 ZINC000174658688 822819545 /nfs/dbraw/zinc/81/95/45/822819545.db2.gz KYLFFHJKVVXKMP-UHFFFAOYSA-N 1 1 394.950 4.422 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+](C)CCCCc3ccccc3)cc(=O)oc2c1 ZINC000053079339 822820602 /nfs/dbraw/zinc/82/06/02/822820602.db2.gz KIUGYGZKCHCZSF-UHFFFAOYSA-N 1 1 378.472 4.206 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000053117114 822822455 /nfs/dbraw/zinc/82/24/55/822822455.db2.gz LECUSTCMUVGHTE-LBPRGKRZSA-N 1 1 394.302 4.411 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000053117114 822822458 /nfs/dbraw/zinc/82/24/58/822822458.db2.gz LECUSTCMUVGHTE-LBPRGKRZSA-N 1 1 394.302 4.411 20 0 GIADMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cnn1C(C)(C)C ZINC000053187641 822825514 /nfs/dbraw/zinc/82/55/14/822825514.db2.gz KHGROJHNTLLLCC-KRWDZBQOSA-N 1 1 382.552 4.251 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCC2(c3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000174709080 822826778 /nfs/dbraw/zinc/82/67/78/822826778.db2.gz DHLBJRXLAAJNFZ-FXAWDEMLSA-N 1 1 383.561 4.162 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000053240699 822827709 /nfs/dbraw/zinc/82/77/09/822827709.db2.gz FILYNPOUYKVWSN-SFHVURJKSA-N 1 1 395.547 4.137 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(C2SCCS2)cc1 ZINC000053267629 822828538 /nfs/dbraw/zinc/82/85/38/822828538.db2.gz GZEUEEJKLWOZFS-UHFFFAOYSA-N 1 1 390.599 4.015 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(C2SCCS2)cc1 ZINC000053267629 822828541 /nfs/dbraw/zinc/82/85/41/822828541.db2.gz GZEUEEJKLWOZFS-UHFFFAOYSA-N 1 1 390.599 4.015 20 0 GIADMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000053279221 822828877 /nfs/dbraw/zinc/82/88/77/822828877.db2.gz WVLGWLWJOKZPHH-GOSISDBHSA-N 1 1 398.304 4.103 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000174743369 822831390 /nfs/dbraw/zinc/83/13/90/822831390.db2.gz BIQCFVHMDMFLBW-UHFFFAOYSA-N 1 1 391.397 4.240 20 0 GIADMO COc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cc1ccccc1 ZINC000174745107 822831468 /nfs/dbraw/zinc/83/14/68/822831468.db2.gz RYFPYEBADJWMJK-UWJYYQICSA-N 1 1 381.520 4.232 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC000053404952 822833362 /nfs/dbraw/zinc/83/33/62/822833362.db2.gz SVJBLERFSZNRNC-HNNXBMFYSA-N 1 1 389.540 4.118 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000053403953 822833401 /nfs/dbraw/zinc/83/34/01/822833401.db2.gz JSQLCWRXWGAOPF-CQSZACIVSA-N 1 1 393.597 4.281 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC[N@H+]1C ZINC000174768652 822834664 /nfs/dbraw/zinc/83/46/64/822834664.db2.gz QETTVLHSHIYMPS-MAUKXSAKSA-N 1 1 378.476 4.441 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)Cc2csc(COc3ccc(F)cc3)n2)[C@H](C)C1 ZINC000174777996 822835625 /nfs/dbraw/zinc/83/56/25/822835625.db2.gz IREFSGXPWVCTTO-BEFAXECRSA-N 1 1 377.529 4.023 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)Cc2csc(COc3ccc(F)cc3)n2)[C@H](C)C1 ZINC000174778009 822835641 /nfs/dbraw/zinc/83/56/41/822835641.db2.gz IREFSGXPWVCTTO-DNVCBOLYSA-N 1 1 377.529 4.023 20 0 GIADMO COc1ccc2oc([C@@H](C)NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c(C)c2c1 ZINC000174779682 822835820 /nfs/dbraw/zinc/83/58/20/822835820.db2.gz WRNMCOUYSZEGMV-KURKYZTESA-N 1 1 399.535 4.468 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC[N@H+]1C ZINC000174780127 822835997 /nfs/dbraw/zinc/83/59/97/822835997.db2.gz DFNFFBWFMRPMGJ-OXQOHEQNSA-N 1 1 395.507 4.277 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000174783094 822836550 /nfs/dbraw/zinc/83/65/50/822836550.db2.gz LXKAFEWCSOQZHW-UHFFFAOYSA-N 1 1 397.504 4.107 20 0 GIADMO CC[C@@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)c1nc(C(F)(F)F)cs1 ZINC000185956002 822836926 /nfs/dbraw/zinc/83/69/26/822836926.db2.gz HQXFQCZNRGROLJ-ZIAGYGMSSA-N 1 1 388.455 4.259 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000174797414 822838364 /nfs/dbraw/zinc/83/83/64/822838364.db2.gz GXCUUZWXDUOHGP-QRQLOZEOSA-N 1 1 398.576 4.366 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000185965358 822838493 /nfs/dbraw/zinc/83/84/93/822838493.db2.gz FXRHCJDQBDHIAZ-UTKZUKDTSA-N 1 1 389.503 4.251 20 0 GIADMO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1OCC(F)(F)F ZINC000174807139 822839997 /nfs/dbraw/zinc/83/99/97/822839997.db2.gz NHGGZSNSYQZHLK-CVEARBPZSA-N 1 1 399.457 4.415 20 0 GIADMO CC(C)(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc(F)cc1 ZINC000053643998 822843696 /nfs/dbraw/zinc/84/36/96/822843696.db2.gz JUGJNYZRGJRPPD-LJQANCHMSA-N 1 1 394.512 4.080 20 0 GIADMO COc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000053709165 822845211 /nfs/dbraw/zinc/84/52/11/822845211.db2.gz SADLZAYSTMNXMW-AWEZNQCLSA-N 1 1 396.409 4.052 20 0 GIADMO COc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000053709165 822845215 /nfs/dbraw/zinc/84/52/15/822845215.db2.gz SADLZAYSTMNXMW-AWEZNQCLSA-N 1 1 396.409 4.052 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 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C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1nc(-c2cccnc2)n(C)c1=S ZINC000054472284 822888414 /nfs/dbraw/zinc/88/84/14/822888414.db2.gz LSVXAOUOIONABV-MRXNPFEDSA-N 1 1 379.533 4.271 20 0 GIADMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cn1nc(-c2cccnc2)n(C)c1=S ZINC000054472284 822888418 /nfs/dbraw/zinc/88/84/18/822888418.db2.gz LSVXAOUOIONABV-MRXNPFEDSA-N 1 1 379.533 4.271 20 0 GIADMO COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1OC(F)F ZINC000569172318 822888554 /nfs/dbraw/zinc/88/85/54/822888554.db2.gz SZSHOEZAGNRYKF-GUDVDZBRSA-N 1 1 389.442 4.301 20 0 GIADMO CCCn1ncc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000569178900 822889263 /nfs/dbraw/zinc/88/92/63/822889263.db2.gz AQKMXFWVDSXGMO-HXUWFJFHSA-N 1 1 394.563 4.203 20 0 GIADMO CCN(C(=O)Cn1cc[nH+]c1C)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000457550703 822889418 /nfs/dbraw/zinc/88/94/18/822889418.db2.gz CRFYDPFQPLNQMZ-QHCPKHFHSA-N 1 1 376.504 4.348 20 0 GIADMO CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000175141598 822890512 /nfs/dbraw/zinc/89/05/12/822890512.db2.gz FFIDKQVPWYILPX-XLIONFOSSA-N 1 1 387.549 4.029 20 0 GIADMO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000457568582 822892310 /nfs/dbraw/zinc/89/23/10/822892310.db2.gz FUQOHVHFSNNAFP-UHFFFAOYSA-N 1 1 383.467 4.104 20 0 GIADMO Cc1nc([C@H]2CCCN2C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cs1 ZINC000186424827 822892495 /nfs/dbraw/zinc/89/24/95/822892495.db2.gz NSZCCVYQZKXWPU-LJQANCHMSA-N 1 1 399.495 4.131 20 0 GIADMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186431654 822894239 /nfs/dbraw/zinc/89/42/39/822894239.db2.gz OUQXNANKSICRFD-HSZRJFAPSA-N 1 1 395.453 4.399 20 0 GIADMO Cn1c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)nc2cc(C(F)(F)F)ccc21 ZINC000186436314 822895228 /nfs/dbraw/zinc/89/52/28/822895228.db2.gz FXAKJZBAIZLDTL-HXUWFJFHSA-N 1 1 387.405 4.224 20 0 GIADMO Cn1c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)nc2cc(C(F)(F)F)ccc21 ZINC000186436314 822895230 /nfs/dbraw/zinc/89/52/30/822895230.db2.gz FXAKJZBAIZLDTL-HXUWFJFHSA-N 1 1 387.405 4.224 20 0 GIADMO CCCN(C(=O)C1CC(C(C)(C)C)C1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000457588800 822895400 /nfs/dbraw/zinc/89/54/00/822895400.db2.gz VFZWODLSHNCGIN-UHFFFAOYSA-N 1 1 386.584 4.373 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC(c1ccccc1)c1ccccc1 ZINC000054606660 822898447 /nfs/dbraw/zinc/89/84/47/822898447.db2.gz DRFKFPAQTIFXNA-UHFFFAOYSA-N 1 1 397.482 4.165 20 0 GIADMO C[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1cc2ccccc2o1 ZINC000175181464 822899169 /nfs/dbraw/zinc/89/91/69/822899169.db2.gz BRQSDNWJCPGZQZ-NRFANRHFSA-N 1 1 391.496 4.227 20 0 GIADMO C[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1cc2ccccc2o1 ZINC000175181464 822899174 /nfs/dbraw/zinc/89/91/74/822899174.db2.gz BRQSDNWJCPGZQZ-NRFANRHFSA-N 1 1 391.496 4.227 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cn1 ZINC000054626399 822900075 /nfs/dbraw/zinc/90/00/75/822900075.db2.gz OAVAQXZOSFTISO-UHFFFAOYSA-N 1 1 396.494 4.414 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)cn1 ZINC000054626482 822900339 /nfs/dbraw/zinc/90/03/39/822900339.db2.gz BLHFRVVONYEHQE-QGZVFWFLSA-N 1 1 392.503 4.091 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C2CC2)s1 ZINC000186469461 822900341 /nfs/dbraw/zinc/90/03/41/822900341.db2.gz ATVCGVLNHADGFK-GDBMZVCRSA-N 1 1 395.450 4.317 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C2CC2)s1 ZINC000186469494 822900358 /nfs/dbraw/zinc/90/03/58/822900358.db2.gz ATVCGVLNHADGFK-GOEBONIOSA-N 1 1 395.450 4.317 20 0 GIADMO CCN(C(=O)Cn1cc[nH+]c1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000457667229 822903748 /nfs/dbraw/zinc/90/37/48/822903748.db2.gz WNYNWQLIGYEKOB-KRWDZBQOSA-N 1 1 377.488 4.477 20 0 GIADMO Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2)cc1 ZINC000457669065 822903992 /nfs/dbraw/zinc/90/39/92/822903992.db2.gz KMYLCIJHBAAJCR-JPYJTQIMSA-N 1 1 391.515 4.271 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000457670235 822904226 /nfs/dbraw/zinc/90/42/26/822904226.db2.gz XDIYQACRDROZKG-RBUKOAKNSA-N 1 1 384.545 4.192 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000457670231 822904261 /nfs/dbraw/zinc/90/42/61/822904261.db2.gz XDIYQACRDROZKG-OALUTQOASA-N 1 1 384.545 4.192 20 0 GIADMO Cc1cc2oc(=O)cc(C[NH+]3CCC(O)(c4c(F)cccc4F)CC3)c2cc1C ZINC000186505130 822906102 /nfs/dbraw/zinc/90/61/02/822906102.db2.gz RISMJGRPFGVASN-UHFFFAOYSA-N 1 1 399.437 4.172 20 0 GIADMO Cc1c(Cl)cncc1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000457685253 822906286 /nfs/dbraw/zinc/90/62/86/822906286.db2.gz IOCUSPUVBOCZAC-UHFFFAOYSA-N 1 1 383.923 4.172 20 0 GIADMO Cc1c(Cl)cncc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457684189 822906419 /nfs/dbraw/zinc/90/64/19/822906419.db2.gz HYKLRCCAJKGZOM-SCLBCKFNSA-N 1 1 396.293 4.259 20 0 GIADMO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000457688403 822906869 /nfs/dbraw/zinc/90/68/69/822906869.db2.gz VHKWOWXEOLWXRP-AOMKIAJQSA-N 1 1 395.478 4.102 20 0 GIADMO CC[C@H](CC(F)F)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457694809 822907862 /nfs/dbraw/zinc/90/78/62/822907862.db2.gz RSGCCLZKEQMGQB-NDGTYSDOSA-N 1 1 376.850 4.270 20 0 GIADMO Cc1ccccc1C(NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1C ZINC000186528612 822908800 /nfs/dbraw/zinc/90/88/00/822908800.db2.gz ZVCYCZJNXQCMPA-IBGZPJMESA-N 1 1 377.532 4.176 20 0 GIADMO C[C@H](CNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[N@@H+](C)C1CC1 ZINC000186535010 822909853 /nfs/dbraw/zinc/90/98/53/822909853.db2.gz OQEWFIDDAFMYOX-GFCCVEGCSA-N 1 1 382.382 4.058 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cccc(C(C)C)c2)C1 ZINC000457722591 822910878 /nfs/dbraw/zinc/91/08/78/822910878.db2.gz DWNOVKMFRZZHBL-IBGZPJMESA-N 1 1 385.577 4.098 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000457728967 822911832 /nfs/dbraw/zinc/91/18/32/822911832.db2.gz JVDZUAULPPMSNT-WJPUGNRLSA-N 1 1 377.598 4.194 20 0 GIADMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186564270 822914017 /nfs/dbraw/zinc/91/40/17/822914017.db2.gz OILDWWJIHNWYGN-GXTWGEPZSA-N 1 1 376.397 4.048 20 0 GIADMO O=C(c1cccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1)N1CCCCC1 ZINC000054808469 822914578 /nfs/dbraw/zinc/91/45/78/822914578.db2.gz JPXKOHFXSOQHFZ-UHFFFAOYSA-N 1 1 391.559 4.021 20 0 GIADMO Cc1nc(-c2ccc([C@H](C)NC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)cs1 ZINC000457772729 822917402 /nfs/dbraw/zinc/91/74/02/822917402.db2.gz JXUKNZKAHFXQKG-KSFYIVLOSA-N 1 1 398.576 4.307 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000186583907 822917588 /nfs/dbraw/zinc/91/75/88/822917588.db2.gz LGBVYGOIISKRJN-UHFFFAOYSA-N 1 1 390.531 4.224 20 0 GIADMO OC1(Cc2cccc(F)c2)CC[NH+](Cc2csc(Br)c2)CC1 ZINC000186589914 822918587 /nfs/dbraw/zinc/91/85/87/822918587.db2.gz BQMJNAPUOHATPA-UHFFFAOYSA-N 1 1 384.314 4.219 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000054920165 822922134 /nfs/dbraw/zinc/92/21/34/822922134.db2.gz HUKCJWOQACAAIX-CRAIPNDOSA-N 1 1 381.476 4.105 20 0 GIADMO Cc1ccc(Oc2ccc(C(=O)N3CC[N@H+](C4CCC4)C[C@@H](C)C3)nc2)cc1 ZINC000457820465 822922689 /nfs/dbraw/zinc/92/26/89/822922689.db2.gz TYCBTRVZTIHDEZ-GOSISDBHSA-N 1 1 379.504 4.129 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc(Cl)ccc1Cl ZINC000175280000 822923012 /nfs/dbraw/zinc/92/30/12/822923012.db2.gz BETMVCNNFLSSLA-MRXNPFEDSA-N 1 1 392.330 4.373 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000175281329 822923211 /nfs/dbraw/zinc/92/32/11/822923211.db2.gz WGNJZMNCKCWZID-OAQYLSRUSA-N 1 1 389.543 4.389 20 0 GIADMO CC[C@@H](C)n1c2ccc(NC(=O)Cn3cc[nH+]c3C)cc2nc1C(F)(F)F ZINC000457829088 822923624 /nfs/dbraw/zinc/92/36/24/822923624.db2.gz DSONTGMPARTGBI-LLVKDONJSA-N 1 1 379.386 4.170 20 0 GIADMO C[C@H]1C[C@H](NC(=O)NCc2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000175283491 822923927 /nfs/dbraw/zinc/92/39/27/822923927.db2.gz MFIMUZAWKUUWQP-FUHWJXTLSA-N 1 1 394.544 4.149 20 0 GIADMO COCCOc1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186625276 822925517 /nfs/dbraw/zinc/92/55/17/822925517.db2.gz XAVOPHULOOZFHD-KSFYIVLOSA-N 1 1 383.467 4.025 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000175291402 822926307 /nfs/dbraw/zinc/92/63/07/822926307.db2.gz HMPGNCSKESVADX-RXVVDRJESA-N 1 1 390.531 4.063 20 0 GIADMO CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000175293572 822926882 /nfs/dbraw/zinc/92/68/82/822926882.db2.gz UPNIWXQLHOPTSQ-COPCDDAFSA-N 1 1 380.536 4.227 20 0 GIADMO COc1ccc(-c2noc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)cc1OC ZINC000569470338 822927206 /nfs/dbraw/zinc/92/72/06/822927206.db2.gz ADXAHOYJBKEWIQ-IBGZPJMESA-N 1 1 393.487 4.176 20 0 GIADMO Cc1cc(C)c(NC(=S)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000055009266 822930373 /nfs/dbraw/zinc/93/03/73/822930373.db2.gz RPMPCNBPVHCOCS-GASCZTMLSA-N 1 1 383.989 4.131 20 0 GIADMO Cc1cc(C)c(NC(=S)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000055009266 822930376 /nfs/dbraw/zinc/93/03/76/822930376.db2.gz RPMPCNBPVHCOCS-GASCZTMLSA-N 1 1 383.989 4.131 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC=C(c2ccccc2)C1 ZINC000569512289 822932345 /nfs/dbraw/zinc/93/23/45/822932345.db2.gz MZRSHELAMIKWSA-LJQANCHMSA-N 1 1 395.572 4.459 20 0 GIADMO S=c1n(C[N@@H+]2CCC[C@H]2C2CCCC2)nc(N2CCCCC2)n1C1CC1 ZINC000055034845 822932758 /nfs/dbraw/zinc/93/27/58/822932758.db2.gz KDASHVIYDUFUJA-SFHVURJKSA-N 1 1 375.586 4.351 20 0 GIADMO S=c1n(C[N@H+]2CCC[C@H]2C2CCCC2)nc(N2CCCCC2)n1C1CC1 ZINC000055034845 822932760 /nfs/dbraw/zinc/93/27/60/822932760.db2.gz KDASHVIYDUFUJA-SFHVURJKSA-N 1 1 375.586 4.351 20 0 GIADMO CO[C@H](C)c1nc(CN2CCC[N@@H+](C[C@H]3CC(C)=C[C@@H](C)C3)CC2)cs1 ZINC000569515965 822933215 /nfs/dbraw/zinc/93/32/15/822933215.db2.gz UOJSLSNLKZECPU-BHIYHBOVSA-N 1 1 377.598 4.351 20 0 GIADMO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186669998 822933847 /nfs/dbraw/zinc/93/38/47/822933847.db2.gz XORWIZQNVQJNQV-HSZRJFAPSA-N 1 1 377.440 4.241 20 0 GIADMO Cc1cccc([C@H]2CC[N@@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)C2)c1 ZINC000569529396 822935133 /nfs/dbraw/zinc/93/51/33/822935133.db2.gz VGBFNOCXALKECU-IBGZPJMESA-N 1 1 377.513 4.207 20 0 GIADMO Cc1cccc([C@@H]2CC[N@@H+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)C2)c1 ZINC000569529400 822935186 /nfs/dbraw/zinc/93/51/86/822935186.db2.gz VGBFNOCXALKECU-LJQANCHMSA-N 1 1 377.513 4.207 20 0 GIADMO COCC[N@H+](Cc1csc(COc2ccc(OC)cc2)n1)C1CCCC1 ZINC000055059347 822935941 /nfs/dbraw/zinc/93/59/41/822935941.db2.gz XGGAMDPABVRHRW-UHFFFAOYSA-N 1 1 376.522 4.122 20 0 GIADMO COCC[N@@H+](Cc1csc(COc2ccc(OC)cc2)n1)C1CCCC1 ZINC000055059347 822935944 /nfs/dbraw/zinc/93/59/44/822935944.db2.gz XGGAMDPABVRHRW-UHFFFAOYSA-N 1 1 376.522 4.122 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000055152472 822941208 /nfs/dbraw/zinc/94/12/08/822941208.db2.gz WMLCFPHATQRBKM-RYUDHWBXSA-N 1 1 382.382 4.114 20 0 GIADMO CC(=O)N1CCc2cc(C(=O)[C@H](C)[NH2+][C@H](C)c3ccccc3OC(C)C)ccc21 ZINC000055152018 822941321 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CC[N@H+]1CCC[C@H]1CN(Cc1csc(Br)c1)Cc1ccncc1 ZINC000569855612 822976617 /nfs/dbraw/zinc/97/66/17/822976617.db2.gz ATJIQHCNCMJLPG-KRWDZBQOSA-N 1 1 394.382 4.392 20 0 GIADMO C[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000569857382 822976948 /nfs/dbraw/zinc/97/69/48/822976948.db2.gz ZLHWSVYKFVDNHY-VVFCZOMOSA-N 1 1 395.425 4.360 20 0 GIADMO C[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000569857382 822976952 /nfs/dbraw/zinc/97/69/52/822976952.db2.gz ZLHWSVYKFVDNHY-VVFCZOMOSA-N 1 1 395.425 4.360 20 0 GIADMO Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)n[nH]2)cc1C ZINC000186907323 822978114 /nfs/dbraw/zinc/97/81/14/822978114.db2.gz BMQDBJGBRKRPQX-UHFFFAOYSA-N 1 1 392.503 4.023 20 0 GIADMO CCC[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C1CCCCC1 ZINC000458311421 822982025 /nfs/dbraw/zinc/98/20/25/822982025.db2.gz YDFKKHYFCLTEFB-JKWVGCSGSA-N 1 1 379.589 4.019 20 0 GIADMO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000569896977 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Cc1cc(C)c(Br)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000460998986 823557126 /nfs/dbraw/zinc/55/71/26/823557126.db2.gz HTBRDBUKYDISKU-CVEARBPZSA-N 1 1 379.342 4.153 20 0 GIADMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000461003167 823557774 /nfs/dbraw/zinc/55/77/74/823557774.db2.gz VGTFGNRGQBDKES-MRXNPFEDSA-N 1 1 382.470 4.460 20 0 GIADMO C[C@@H](CNC(=O)c1ccc2nc(Cl)ccc2c1)[N@H+]1CCc2ccccc2C1 ZINC000060792945 823558005 /nfs/dbraw/zinc/55/80/05/823558005.db2.gz VTUIBJKSYUNCIF-HNNXBMFYSA-N 1 1 379.891 4.065 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000461012306 823558880 /nfs/dbraw/zinc/55/88/80/823558880.db2.gz ATNVKWJNPADQCR-INIZCTEOSA-N 1 1 379.342 4.060 20 0 GIADMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1cn2cccc(C)c2n1 ZINC000124013963 823559950 /nfs/dbraw/zinc/55/99/50/823559950.db2.gz JZKGNCPJQAGCIE-UHFFFAOYSA-N 1 1 381.430 4.013 20 0 GIADMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc3c(ccc4ccccc34)[nH]2)C[C@@H](C)O1 ZINC000124016160 823560167 /nfs/dbraw/zinc/56/01/67/823560167.db2.gz LCFWTXVWGVHXET-LMMKCTJWSA-N 1 1 391.515 4.035 20 0 GIADMO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c21 ZINC000461024254 823560909 /nfs/dbraw/zinc/56/09/09/823560909.db2.gz BFRKVPQRPCCUIV-CQSZACIVSA-N 1 1 384.480 4.065 20 0 GIADMO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000060845865 823561641 /nfs/dbraw/zinc/56/16/41/823561641.db2.gz ZIIBUEVLCANYAH-KXBFYZLASA-N 1 1 391.895 4.029 20 0 GIADMO COCCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)cc1OC ZINC000124045977 823562741 /nfs/dbraw/zinc/56/27/41/823562741.db2.gz KZQSTVOCFRJGHI-HNNXBMFYSA-N 1 1 399.516 4.090 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccccc1-n1cccn1 ZINC000190323916 823562855 /nfs/dbraw/zinc/56/28/55/823562855.db2.gz DRNBYZFOTFREKA-OAHLLOKOSA-N 1 1 379.414 4.187 20 0 GIADMO Cc1cc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)nc(-c2ccncc2)n1 ZINC000060858771 823562930 /nfs/dbraw/zinc/56/29/30/823562930.db2.gz QSDKYOAFFDYCNR-QGZVFWFLSA-N 1 1 393.922 4.384 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000411304186 823563619 /nfs/dbraw/zinc/56/36/19/823563619.db2.gz BNXDRXYLRRUWAO-IIBYNOLFSA-N 1 1 395.547 4.002 20 0 GIADMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@@H]1CC ZINC000461039608 823563730 /nfs/dbraw/zinc/56/37/30/823563730.db2.gz XHUXKXIIWXNZMY-IPMKNSEASA-N 1 1 399.362 4.056 20 0 GIADMO CCN1CC[C@H]([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311872 823564156 /nfs/dbraw/zinc/56/41/56/823564156.db2.gz YHBHEYKNFNNOFA-RFWXGWTQSA-N 1 1 399.604 4.148 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311872 823564159 /nfs/dbraw/zinc/56/41/59/823564159.db2.gz YHBHEYKNFNNOFA-RFWXGWTQSA-N 1 1 399.604 4.148 20 0 GIADMO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(C(=O)N4CCCC4)cc3)CCO2)cc1 ZINC000190334781 823564327 /nfs/dbraw/zinc/56/43/27/823564327.db2.gz NVDXVJDTKCIECZ-QHCPKHFHSA-N 1 1 378.516 4.059 20 0 GIADMO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(C(=O)N4CCCC4)cc3)CCO2)cc1 ZINC000190334781 823564329 /nfs/dbraw/zinc/56/43/29/823564329.db2.gz NVDXVJDTKCIECZ-QHCPKHFHSA-N 1 1 378.516 4.059 20 0 GIADMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cnc3ccc(C)cc3c1)CC2 ZINC000411320644 823564518 /nfs/dbraw/zinc/56/45/18/823564518.db2.gz GRLPRBADISIFNM-UHFFFAOYSA-N 1 1 392.499 4.170 20 0 GIADMO CCCc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000461046792 823565049 /nfs/dbraw/zinc/56/50/49/823565049.db2.gz SLCCDQXVDBYLTC-OAHLLOKOSA-N 1 1 397.466 4.119 20 0 GIADMO CCCc1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000461046792 823565051 /nfs/dbraw/zinc/56/50/51/823565051.db2.gz SLCCDQXVDBYLTC-OAHLLOKOSA-N 1 1 397.466 4.119 20 0 GIADMO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2CC2CCCCC2)cc(OC)c1OC ZINC000060892843 823565101 /nfs/dbraw/zinc/56/51/01/823565101.db2.gz RMBDBIKAWLRAQO-GOSISDBHSA-N 1 1 390.524 4.086 20 0 GIADMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000060892790 823565111 /nfs/dbraw/zinc/56/51/11/823565111.db2.gz GZLWCMGZFBPUGW-NHCUHLMSSA-N 1 1 389.536 4.072 20 0 GIADMO CCS(=O)(=O)CCCCC[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000190354027 823565740 /nfs/dbraw/zinc/56/57/40/823565740.db2.gz ITVURRMDAZKGQX-UHFFFAOYSA-N 1 1 380.579 4.081 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCc2c(O)cccc21 ZINC000190367046 823566830 /nfs/dbraw/zinc/56/68/30/823566830.db2.gz LGWLJJZOUYOMQD-MNRDOXJOSA-N 1 1 390.527 4.124 20 0 GIADMO COc1ccc2oc(C[NH2+]Cc3cn4cc(Br)ccc4n3)cc2c1 ZINC000124117344 823568920 /nfs/dbraw/zinc/56/89/20/823568920.db2.gz FBUGWLDKTZFPPL-UHFFFAOYSA-N 1 1 386.249 4.141 20 0 GIADMO Fc1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1OC(F)F ZINC000124118253 823569134 /nfs/dbraw/zinc/56/91/34/823569134.db2.gz ITPKEVZUPUJGQO-OAHLLOKOSA-N 1 1 394.441 4.125 20 0 GIADMO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000411395633 823569842 /nfs/dbraw/zinc/56/98/42/823569842.db2.gz DBUSVTKRSKDDJK-SBUREZEXSA-N 1 1 395.524 4.262 20 0 GIADMO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000411395633 823569847 /nfs/dbraw/zinc/56/98/47/823569847.db2.gz DBUSVTKRSKDDJK-SBUREZEXSA-N 1 1 395.524 4.262 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N(CCC(F)(F)F)Cc1ccccc1)c1ccco1 ZINC000190414095 823570504 /nfs/dbraw/zinc/57/05/04/823570504.db2.gz YESNPGSUSINWOD-MRXNPFEDSA-N 1 1 383.414 4.047 20 0 GIADMO Cc1cccc(C)c1NCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461076595 823571251 /nfs/dbraw/zinc/57/12/51/823571251.db2.gz PFZQIYIEQHACQB-IFMALSPDSA-N 1 1 379.548 4.227 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCC(=O)Nc4ccccc4F)C3)nc2c1 ZINC000411411946 823571205 /nfs/dbraw/zinc/57/12/05/823571205.db2.gz HBQPKPAWOPQUQM-INIZCTEOSA-N 1 1 380.467 4.219 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@H+](CCC(=O)Nc4ccccc4F)C3)[nH]c2c1 ZINC000411411946 823571209 /nfs/dbraw/zinc/57/12/09/823571209.db2.gz HBQPKPAWOPQUQM-INIZCTEOSA-N 1 1 380.467 4.219 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCC(=O)Nc4ccccc4F)C3)[nH]c2c1 ZINC000411411946 823571211 /nfs/dbraw/zinc/57/12/11/823571211.db2.gz HBQPKPAWOPQUQM-INIZCTEOSA-N 1 1 380.467 4.219 20 0 GIADMO CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2O1 ZINC000124141296 823571279 /nfs/dbraw/zinc/57/12/79/823571279.db2.gz CPTYAPAPQOKRGY-LJQANCHMSA-N 1 1 380.536 4.098 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2)NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000461081452 823572533 /nfs/dbraw/zinc/57/25/33/823572533.db2.gz LWNQKNCMNPKAHB-JTHBVZDNSA-N 1 1 380.532 4.360 20 0 GIADMO C[C@H](c1cccnc1)[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411424001 823572516 /nfs/dbraw/zinc/57/25/16/823572516.db2.gz PJFXVQQKXUCCDG-VGSWGCGISA-N 1 1 379.529 4.432 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000061015022 823572920 /nfs/dbraw/zinc/57/29/20/823572920.db2.gz OJMYUCWGPNVVSE-NRFANRHFSA-N 1 1 396.966 4.156 20 0 GIADMO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411433153 823573564 /nfs/dbraw/zinc/57/35/64/823573564.db2.gz XNDGQBLGANORJH-BEFAXECRSA-N 1 1 392.421 4.496 20 0 GIADMO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411433153 823573566 /nfs/dbraw/zinc/57/35/66/823573566.db2.gz XNDGQBLGANORJH-BEFAXECRSA-N 1 1 392.421 4.496 20 0 GIADMO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411433166 823573793 /nfs/dbraw/zinc/57/37/93/823573793.db2.gz XNDGQBLGANORJH-KXBFYZLASA-N 1 1 392.421 4.496 20 0 GIADMO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411433166 823573794 /nfs/dbraw/zinc/57/37/94/823573794.db2.gz XNDGQBLGANORJH-KXBFYZLASA-N 1 1 392.421 4.496 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000411433967 823573802 /nfs/dbraw/zinc/57/38/02/823573802.db2.gz YZHMOWQUHGADEX-HNAYVOBHSA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000411433967 823573803 /nfs/dbraw/zinc/57/38/03/823573803.db2.gz YZHMOWQUHGADEX-HNAYVOBHSA-N 1 1 388.895 4.139 20 0 GIADMO Cc1c(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000124168568 823574137 /nfs/dbraw/zinc/57/41/37/823574137.db2.gz YCOVCRITZCGWRJ-OAQYLSRUSA-N 1 1 381.907 4.475 20 0 GIADMO C[N@H+]1CCCC12CCN(CCC(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000411438959 823574235 /nfs/dbraw/zinc/57/42/35/823574235.db2.gz DDLBNDRGRSPAQP-UHFFFAOYSA-N 1 1 377.532 4.242 20 0 GIADMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]Cc1nnc2ccccn21 ZINC000061029254 823574245 /nfs/dbraw/zinc/57/42/45/823574245.db2.gz PKBFPOWVVUVBCN-UHFFFAOYSA-N 1 1 394.482 4.180 20 0 GIADMO CN(C)C(=O)C[C@H]([NH2+]Cc1cccc(Br)c1Cl)c1ccccc1 ZINC000411446790 823575213 /nfs/dbraw/zinc/57/52/13/823575213.db2.gz CIPXVSYMZLNWCZ-INIZCTEOSA-N 1 1 395.728 4.412 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000190446284 823575353 /nfs/dbraw/zinc/57/53/53/823575353.db2.gz OLKPZOUNGWKOPZ-SNVBAGLBSA-N 1 1 399.235 4.025 20 0 GIADMO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000190446739 823575574 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ZINC000461438052 823637263 /nfs/dbraw/zinc/63/72/63/823637263.db2.gz JYEWPMPCYKUVHB-FCHUYYIVSA-N 1 1 379.548 4.280 20 0 GIADMO CCC(CC)c1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)on1 ZINC000461437667 823637405 /nfs/dbraw/zinc/63/74/05/823637405.db2.gz IJSNZJWKTJNTNI-UXHICEINSA-N 1 1 381.520 4.172 20 0 GIADMO Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000191006885 823637460 /nfs/dbraw/zinc/63/74/60/823637460.db2.gz ABLRGVWCWMQQBU-SYYKKAFVSA-N 1 1 393.531 4.171 20 0 GIADMO O=C(c1coc2cc(F)ccc12)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461439371 823637657 /nfs/dbraw/zinc/63/76/57/823637657.db2.gz QZRLYNCJGKRPMP-MSOLQXFVSA-N 1 1 378.447 4.166 20 0 GIADMO O=C(c1cccn1C1CCCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440939 823637989 /nfs/dbraw/zinc/63/79/89/823637989.db2.gz FBAABOISNDPCKH-NHCUHLMSSA-N 1 1 377.532 4.197 20 0 GIADMO Cc1ccccc1OCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461441776 823638257 /nfs/dbraw/zinc/63/82/57/823638257.db2.gz GJODUDYJCUCBPK-PKTZIBPZSA-N 1 1 392.543 4.135 20 0 GIADMO O=C(Cc1csc2ccccc12)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461441767 823638287 /nfs/dbraw/zinc/63/82/87/823638287.db2.gz GHAQZTVDBQGPFT-TZIWHRDSSA-N 1 1 390.552 4.424 20 0 GIADMO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncnc3cc(F)c(F)cc32)CC1 ZINC000461441712 823638302 /nfs/dbraw/zinc/63/83/02/823638302.db2.gz GZDXHFLYHOXZAW-CYBMUJFWSA-N 1 1 388.849 4.445 20 0 GIADMO O=C(CCc1ccc(Cl)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461443265 823638702 /nfs/dbraw/zinc/63/87/02/823638702.db2.gz NESFGNHMOQMTRG-SFTDATJTSA-N 1 1 382.935 4.253 20 0 GIADMO O=C(c1coc(C2CCCCC2)n1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443125 823638726 /nfs/dbraw/zinc/63/87/26/823638726.db2.gz ILQOTTMJMXLNPP-NHCUHLMSSA-N 1 1 393.531 4.316 20 0 GIADMO COc1ccccc1[C@H](C)CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461444555 823639063 /nfs/dbraw/zinc/63/90/63/823639063.db2.gz LCGPCKLYOLYDCG-CEMLEFRQSA-N 1 1 392.543 4.169 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000124943125 823639132 /nfs/dbraw/zinc/63/91/32/823639132.db2.gz HQFZTXLNVNBECT-ZOBUZTSGSA-N 1 1 380.602 4.398 20 0 GIADMO C[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461446324 823639316 /nfs/dbraw/zinc/63/93/16/823639316.db2.gz UKYMXPFOMDXDDC-BVYCBKJFSA-N 1 1 380.507 4.300 20 0 GIADMO Cc1ccc2[nH]c(C(=O)N3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2c1C ZINC000461446745 823639394 /nfs/dbraw/zinc/63/93/94/823639394.db2.gz NLNZXPAKUXRPOC-NHCUHLMSSA-N 1 1 387.527 4.379 20 0 GIADMO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461453267 823640666 /nfs/dbraw/zinc/64/06/66/823640666.db2.gz ZKPAISRMJCCWGR-MOPGFXCFSA-N 1 1 393.918 4.415 20 0 GIADMO O=C(Cc1coc2cc(F)ccc12)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455646 823641304 /nfs/dbraw/zinc/64/13/04/823641304.db2.gz MDXYVLONADCOQL-AZUAARDMSA-N 1 1 392.474 4.095 20 0 GIADMO Cc1[nH]c2c(cccc2C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000461457679 823641701 /nfs/dbraw/zinc/64/17/01/823641701.db2.gz QRSSOIXJCCTOHD-NHCUHLMSSA-N 1 1 387.527 4.379 20 0 GIADMO Cc1[nH]c2c(cccc2C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000461457680 823641713 /nfs/dbraw/zinc/64/17/13/823641713.db2.gz QRSSOIXJCCTOHD-RTWAWAEBSA-N 1 1 387.527 4.379 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)s1 ZINC000461467433 823643114 /nfs/dbraw/zinc/64/31/14/823643114.db2.gz PAZDPBARRMVZIR-MRXNPFEDSA-N 1 1 390.936 4.003 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC(=O)c2ccccc21 ZINC000461468421 823643415 /nfs/dbraw/zinc/64/34/15/823643415.db2.gz JROYMYMTAXZQBZ-REWPJTCUSA-N 1 1 390.527 4.165 20 0 GIADMO CCCCc1nnc(N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)n1Cc1cccs1 ZINC000461478223 823644844 /nfs/dbraw/zinc/64/48/44/823644844.db2.gz GTGZOJVQOYHIQN-DLBZAZTESA-N 1 1 375.586 4.040 20 0 GIADMO CCCCc1nnc(N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)n1Cc1cccs1 ZINC000461478224 823644851 /nfs/dbraw/zinc/64/48/51/823644851.db2.gz GTGZOJVQOYHIQN-IAGOWNOFSA-N 1 1 375.586 4.040 20 0 GIADMO COc1ccc(CC2CC[NH+](Cc3nnc(Cc4ccccc4C)o3)CC2)cc1 ZINC000125017540 823645416 /nfs/dbraw/zinc/64/54/16/823645416.db2.gz ZRLJMGPGIUGZNV-UHFFFAOYSA-N 1 1 391.515 4.432 20 0 GIADMO Cc1ccsc1-c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1Cc1cccs1 ZINC000461505874 823650561 /nfs/dbraw/zinc/65/05/61/823650561.db2.gz GUKRVTNCSGCTIK-HOTGVXAUSA-N 1 1 399.589 4.098 20 0 GIADMO COCC[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000412376511 823650652 /nfs/dbraw/zinc/65/06/52/823650652.db2.gz IHLJAIOAUIRUQE-MSOLQXFVSA-N 1 1 386.458 4.164 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cc(Br)ccc2F)cc1NC(C)=O ZINC000125095154 823651399 /nfs/dbraw/zinc/65/13/99/823651399.db2.gz GBUXAZLHQJXNHX-LLVKDONJSA-N 1 1 395.272 4.406 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000063094938 823651499 /nfs/dbraw/zinc/65/14/99/823651499.db2.gz JKLZHKVEJOQGSD-UHFFFAOYSA-N 1 1 375.513 4.286 20 0 GIADMO Cc1nnc([C@@H](C)[NH+]2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000125116287 823652666 /nfs/dbraw/zinc/65/26/66/823652666.db2.gz GWHRGYKBBCVFDH-SNVBAGLBSA-N 1 1 383.279 4.097 20 0 GIADMO Cc1ccc(NC(=S)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1C ZINC000063173876 823654088 /nfs/dbraw/zinc/65/40/88/823654088.db2.gz KSFARXZFIXAKKB-SFHVURJKSA-N 1 1 383.561 4.011 20 0 GIADMO Cc1ccc(NC(=S)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1C ZINC000063173876 823654090 /nfs/dbraw/zinc/65/40/90/823654090.db2.gz KSFARXZFIXAKKB-SFHVURJKSA-N 1 1 383.561 4.011 20 0 GIADMO COc1ccc(-c2nc(Cc3noc([C@H](C)[NH+]4CCCCCC4)n3)co2)cc1 ZINC000191162790 823655257 /nfs/dbraw/zinc/65/52/57/823655257.db2.gz SRQSTQUYWBDAAQ-HNNXBMFYSA-N 1 1 382.464 4.261 20 0 GIADMO C[C@@H](c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000191167479 823655412 /nfs/dbraw/zinc/65/54/12/823655412.db2.gz XRVLFRQDEFNGQH-ZNMIVQPWSA-N 1 1 378.517 4.297 20 0 GIADMO C[C@@H](c1nc(C2(NC(=O)OC(C)(C)C)CCCC2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000191167479 823655413 /nfs/dbraw/zinc/65/54/13/823655413.db2.gz XRVLFRQDEFNGQH-ZNMIVQPWSA-N 1 1 378.517 4.297 20 0 GIADMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccccc1NC(=O)c1ccccc1 ZINC000125157064 823655697 /nfs/dbraw/zinc/65/56/97/823655697.db2.gz QJIFIFMIJVSQIV-LAUBAEHRSA-N 1 1 380.488 4.418 20 0 GIADMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccccc1NC(=O)c1ccccc1 ZINC000125157064 823655699 /nfs/dbraw/zinc/65/56/99/823655699.db2.gz QJIFIFMIJVSQIV-LAUBAEHRSA-N 1 1 380.488 4.418 20 0 GIADMO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000125159795 823655808 /nfs/dbraw/zinc/65/58/08/823655808.db2.gz ZXMUUFQVFYSNMF-MBOZVWFJSA-N 1 1 381.520 4.461 20 0 GIADMO CCO[C@H](C)c1nc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cs1 ZINC000191174351 823656356 /nfs/dbraw/zinc/65/63/56/823656356.db2.gz BRHMCGGIYMDKMQ-FVQBIDKESA-N 1 1 383.558 4.166 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000191191368 823658074 /nfs/dbraw/zinc/65/80/74/823658074.db2.gz DCYXVLISSUGISE-INIZCTEOSA-N 1 1 380.282 4.232 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000191191368 823658078 /nfs/dbraw/zinc/65/80/78/823658078.db2.gz DCYXVLISSUGISE-INIZCTEOSA-N 1 1 380.282 4.232 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)[C@@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)C2 ZINC000412530283 823659539 /nfs/dbraw/zinc/65/95/39/823659539.db2.gz BXZRMEYQXBSXRB-LJQANCHMSA-N 1 1 391.515 4.238 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccoc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125217776 823659880 /nfs/dbraw/zinc/65/98/80/823659880.db2.gz DHYBOIASEJBUNB-LPHOPBHVSA-N 1 1 380.410 4.040 20 0 GIADMO CS(=O)(=O)c1ccc(OCCC[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000063286576 823660021 /nfs/dbraw/zinc/66/00/21/823660021.db2.gz AABOQJHYYAYAAX-UHFFFAOYSA-N 1 1 393.936 4.177 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191224107 823660748 /nfs/dbraw/zinc/66/07/48/823660748.db2.gz SSACIBHJHGAAGI-CEXWTWQISA-N 1 1 398.595 4.407 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)OC)c2)cc1)C1CC1 ZINC000412546826 823661223 /nfs/dbraw/zinc/66/12/23/823661223.db2.gz KDCBKYVRSSQJEO-INIZCTEOSA-N 1 1 380.488 4.200 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)OC)c2)cc1)C(C)C ZINC000412553604 823661561 /nfs/dbraw/zinc/66/15/61/823661561.db2.gz WNTWMFTZMFFKQA-QGZVFWFLSA-N 1 1 382.504 4.446 20 0 GIADMO Cc1cccc(NCCNC(=O)c2cccnc2SCc2ccc(F)cc2)[nH+]1 ZINC000461574815 823662992 /nfs/dbraw/zinc/66/29/92/823662992.db2.gz IOXPELMIENQQLH-UHFFFAOYSA-N 1 1 396.491 4.058 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(Br)o3)ccc2NC1=O ZINC000191259309 823664352 /nfs/dbraw/zinc/66/43/52/823664352.db2.gz LGCDIMKLZUABTH-QMTHXVAHSA-N 1 1 379.254 4.002 20 0 GIADMO Cc1cccc(NCCNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)[nH+]1 ZINC000461591617 823667177 /nfs/dbraw/zinc/66/71/77/823667177.db2.gz SKAJNJSJMZIKDH-SJORKVTESA-N 1 1 392.528 4.278 20 0 GIADMO Cc1c2cc(F)ccc2sc1C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000461595352 823667806 /nfs/dbraw/zinc/66/78/06/823667806.db2.gz SYSZULWNWYRKOU-OAHLLOKOSA-N 1 1 390.524 4.112 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C/N=C/c2cc(Br)ccc2O)cc1F ZINC000063427640 823670372 /nfs/dbraw/zinc/67/03/72/823670372.db2.gz AEHVOZSXSGPVRD-SRZZPIQSSA-N 1 1 388.240 4.407 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191312440 823670405 /nfs/dbraw/zinc/67/04/05/823670405.db2.gz MFGGPMVMHPNLCH-GFCCVEGCSA-N 1 1 387.318 4.167 20 0 GIADMO Cc1c(Cl)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)nc2ccccc12 ZINC000125396056 823673011 /nfs/dbraw/zinc/67/30/11/823673011.db2.gz UNPYIQWJAYHIKM-QRWLVFNGSA-N 1 1 383.923 4.172 20 0 GIADMO CCN(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063463850 823673215 /nfs/dbraw/zinc/67/32/15/823673215.db2.gz JHFDRWHCMWXVRV-HSZRJFAPSA-N 1 1 379.548 4.173 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000063463926 823673227 /nfs/dbraw/zinc/67/32/27/823673227.db2.gz MHPBVJDUJOOODU-JOCHJYFZSA-N 1 1 395.547 4.185 20 0 GIADMO O=C(NCCc1cccc(Cl)c1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464533 823673410 /nfs/dbraw/zinc/67/34/10/823673410.db2.gz URDSCQXNSYLDBG-FQEVSTJZSA-N 1 1 385.939 4.094 20 0 GIADMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Br)CC[C@@H]2N1C1CC1 ZINC000125405584 823673670 /nfs/dbraw/zinc/67/36/70/823673670.db2.gz OLVUZFGIDUZXAT-DYVFJYSZSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Br)CC[C@@H]2N1C1CC1 ZINC000125405584 823673672 /nfs/dbraw/zinc/67/36/72/823673672.db2.gz OLVUZFGIDUZXAT-DYVFJYSZSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Br)CC[C@H]2N1C1CC1 ZINC000125405309 823673710 /nfs/dbraw/zinc/67/37/10/823673710.db2.gz OLVUZFGIDUZXAT-CXAGYDPISA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Br)CC[C@H]2N1C1CC1 ZINC000125405309 823673711 /nfs/dbraw/zinc/67/37/11/823673711.db2.gz OLVUZFGIDUZXAT-CXAGYDPISA-N 1 1 397.744 4.078 20 0 GIADMO COc1ccccc1NC(=O)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063471022 823674326 /nfs/dbraw/zinc/67/43/26/823674326.db2.gz OZMFWBBLWPRWEA-UHFFFAOYSA-N 1 1 382.410 4.291 20 0 GIADMO O=C(Cc1ccc(F)cc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000125414065 823674447 /nfs/dbraw/zinc/67/44/47/823674447.db2.gz QDGYZEWSUYLRGD-IHWFROFDSA-N 1 1 386.898 4.333 20 0 GIADMO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349057 823675067 /nfs/dbraw/zinc/67/50/67/823675067.db2.gz WTZJTMZDTRNAKU-CQSZACIVSA-N 1 1 393.325 4.187 20 0 GIADMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349057 823675069 /nfs/dbraw/zinc/67/50/69/823675069.db2.gz WTZJTMZDTRNAKU-CQSZACIVSA-N 1 1 393.325 4.187 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@H](C)c2cnn(C(C)C)c2C)cc1OC ZINC000191355260 823675777 /nfs/dbraw/zinc/67/57/77/823675777.db2.gz IPGQDPIKAPSJKV-GFCCVEGCSA-N 1 1 396.329 4.403 20 0 GIADMO C[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000412697246 823676068 /nfs/dbraw/zinc/67/60/68/823676068.db2.gz LMZKSDLWQWUEBH-IBGZPJMESA-N 1 1 389.499 4.007 20 0 GIADMO C[C@H]1CN(C(=O)CCc2ncc(-c3ccccc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000412697246 823676071 /nfs/dbraw/zinc/67/60/71/823676071.db2.gz LMZKSDLWQWUEBH-IBGZPJMESA-N 1 1 389.499 4.007 20 0 GIADMO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000063508404 823676859 /nfs/dbraw/zinc/67/68/59/823676859.db2.gz HCPPBKAOPRZVHO-OAQYLSRUSA-N 1 1 393.531 4.249 20 0 GIADMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccncc1)C(c1ccccc1)c1ccccc1 ZINC000125449582 823677064 /nfs/dbraw/zinc/67/70/64/823677064.db2.gz NFGKEYDGTOZNKL-HSZRJFAPSA-N 1 1 385.511 4.467 20 0 GIADMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccncc1)C(c1ccccc1)c1ccccc1 ZINC000125449582 823677066 /nfs/dbraw/zinc/67/70/66/823677066.db2.gz NFGKEYDGTOZNKL-HSZRJFAPSA-N 1 1 385.511 4.467 20 0 GIADMO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461664310 823677319 /nfs/dbraw/zinc/67/73/19/823677319.db2.gz LBNHHPFONKSTBL-BNUXRISVSA-N 1 1 393.531 4.203 20 0 GIADMO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+](CC2CCCCC2)C2CC2)n1 ZINC000063525701 823677750 /nfs/dbraw/zinc/67/77/50/823677750.db2.gz CJQBRFDEQZNFFM-UHFFFAOYSA-N 1 1 392.544 4.374 20 0 GIADMO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+](CC2CCCCC2)C2CC2)n1 ZINC000063525701 823677752 /nfs/dbraw/zinc/67/77/52/823677752.db2.gz CJQBRFDEQZNFFM-UHFFFAOYSA-N 1 1 392.544 4.374 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063541974 823678453 /nfs/dbraw/zinc/67/84/53/823678453.db2.gz DYNPGSJNOTVBLH-OAHLLOKOSA-N 1 1 385.439 4.038 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000063541915 823678459 /nfs/dbraw/zinc/67/84/59/823678459.db2.gz QBVDCOITBYAEKK-OAHLLOKOSA-N 1 1 385.439 4.038 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125477203 823679448 /nfs/dbraw/zinc/67/94/48/823679448.db2.gz CRQPUYOPHFFYGA-LJQANCHMSA-N 1 1 399.579 4.428 20 0 GIADMO CCCOc1ncccc1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000063578950 823680705 /nfs/dbraw/zinc/68/07/05/823680705.db2.gz ROTAGLINHCBLRD-UHFFFAOYSA-N 1 1 386.446 4.241 20 0 GIADMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000125496239 823680889 /nfs/dbraw/zinc/68/08/89/823680889.db2.gz BGIJICSBLLRTQH-INIZCTEOSA-N 1 1 397.544 4.089 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000063582135 823681048 /nfs/dbraw/zinc/68/10/48/823681048.db2.gz AHBZVTZUCLOCEC-VNHYZAJKSA-N 1 1 383.305 4.066 20 0 GIADMO c1ccc(Oc2ncccc2-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000125506930 823681550 /nfs/dbraw/zinc/68/15/50/823681550.db2.gz AQCKZVYDIWGDCX-IBGZPJMESA-N 1 1 392.459 4.240 20 0 GIADMO CCC(CC)n1ncc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1C ZINC000125525990 823682674 /nfs/dbraw/zinc/68/26/74/823682674.db2.gz RMYZCUFFXMJXCZ-SFHVURJKSA-N 1 1 382.552 4.289 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2COc3cccc(Cl)c32)C1 ZINC000461697363 823683106 /nfs/dbraw/zinc/68/31/06/823683106.db2.gz CWHZYGVCDSADNO-NUJGCVRESA-N 1 1 391.943 4.070 20 0 GIADMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619637 823683732 /nfs/dbraw/zinc/68/37/32/823683732.db2.gz TXDGOPDEZCEHSI-YADHBBJMSA-N 1 1 397.515 4.091 20 0 GIADMO O[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000125573159 823686449 /nfs/dbraw/zinc/68/64/49/823686449.db2.gz YIPIHUJZVUDDDK-IBGZPJMESA-N 1 1 386.458 4.005 20 0 GIADMO O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(C[NH+]2CCCC2)on1 ZINC000461736392 823689394 /nfs/dbraw/zinc/68/93/94/823689394.db2.gz KSHHUWXUAZWWON-UHFFFAOYSA-N 1 1 389.499 4.222 20 0 GIADMO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000063693441 823689778 /nfs/dbraw/zinc/68/97/78/823689778.db2.gz RDVFKGIINFIVGE-CYBMUJFWSA-N 1 1 399.482 4.474 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc(C(N)=S)cc1)C1CCCCC1 ZINC000063696733 823689941 /nfs/dbraw/zinc/68/99/41/823689941.db2.gz SFCVDFWURRHIEQ-UHFFFAOYSA-N 1 1 395.572 4.015 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000063706413 823690382 /nfs/dbraw/zinc/69/03/82/823690382.db2.gz JGLZCLIDOZVBHE-HNNXBMFYSA-N 1 1 398.551 4.149 20 0 GIADMO C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(-c2ccccc2)cc1 ZINC000461748458 823691306 /nfs/dbraw/zinc/69/13/06/823691306.db2.gz UHJDVNFXFQFYOW-QGZVFWFLSA-N 1 1 375.472 4.428 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000063722588 823691427 /nfs/dbraw/zinc/69/14/27/823691427.db2.gz QXCFAAJKWXXQAE-UHFFFAOYSA-N 1 1 377.941 4.410 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000063722883 823691533 /nfs/dbraw/zinc/69/15/33/823691533.db2.gz RJNYVPIXSGIBDG-UHFFFAOYSA-N 1 1 379.298 4.142 20 0 GIADMO CCCCOc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1OCC ZINC000063726854 823692126 /nfs/dbraw/zinc/69/21/26/823692126.db2.gz BFTQZVGIGYQCNY-UHFFFAOYSA-N 1 1 376.541 4.211 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000461762155 823692954 /nfs/dbraw/zinc/69/29/54/823692954.db2.gz JNJAWKOOZWLBAX-FGZHOGPDSA-N 1 1 387.568 4.060 20 0 GIADMO O=C(C[N@@H+](CCc1ccccc1)C1CCCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000063754656 823693713 /nfs/dbraw/zinc/69/37/13/823693713.db2.gz RWLBAQSUYPUTAV-SFHVURJKSA-N 1 1 382.470 4.275 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[N@@H+](CCc2ccccc2)C2CCCC2)c1 ZINC000063754882 823693772 /nfs/dbraw/zinc/69/37/72/823693772.db2.gz YXKIQBABJXGHQF-UHFFFAOYSA-N 1 1 382.504 4.130 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000191516787 823694403 /nfs/dbraw/zinc/69/44/03/823694403.db2.gz BIWFRLMKSOVMPY-LJQANCHMSA-N 1 1 392.547 4.188 20 0 GIADMO Cc1c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cnn1-c1cccc(Cl)c1 ZINC000063771441 823694454 /nfs/dbraw/zinc/69/44/54/823694454.db2.gz FFCPSQMYPKRBTQ-UHFFFAOYSA-N 1 1 388.943 4.171 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N(C)CC[N@@H+](C)C3CCCCC3)cs2)cc1 ZINC000063771861 823694724 /nfs/dbraw/zinc/69/47/24/823694724.db2.gz HAVHUCBUNVGUMG-UHFFFAOYSA-N 1 1 385.577 4.384 20 0 GIADMO CS[C@H](C)CCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412978812 823696373 /nfs/dbraw/zinc/69/63/73/823696373.db2.gz YSUBOECLKYQVCJ-CQSZACIVSA-N 1 1 399.398 4.061 20 0 GIADMO Cc1cc(C[C@H](C)[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)n[nH]1 ZINC000191535270 823696988 /nfs/dbraw/zinc/69/69/88/823696988.db2.gz FTVOUGJVZINBNV-ORAYPTAESA-N 1 1 392.341 4.169 20 0 GIADMO Cc1cc(C[C@H](C)[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)n[nH]1 ZINC000191535298 823696999 /nfs/dbraw/zinc/69/69/99/823696999.db2.gz FTVOUGJVZINBNV-DJJJIMSYSA-N 1 1 392.341 4.169 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125721454 823700203 /nfs/dbraw/zinc/70/02/03/823700203.db2.gz NVWWFJIGMVPNQX-FQEVSTJZSA-N 1 1 380.532 4.354 20 0 GIADMO CC(C)(C)n1cc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000574321884 823702517 /nfs/dbraw/zinc/70/25/17/823702517.db2.gz MKJVGNJNKONSQO-IBGZPJMESA-N 1 1 383.540 4.062 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c(OC)n1 ZINC000574324688 823702827 /nfs/dbraw/zinc/70/28/27/823702827.db2.gz PWIWTTUQXCIGQO-ZDUSSCGKSA-N 1 1 386.883 4.097 20 0 GIADMO CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000125756198 823704939 /nfs/dbraw/zinc/70/49/39/823704939.db2.gz ZEWBRTKIWYWPCO-HNNXBMFYSA-N 1 1 379.460 4.413 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000125756198 823704942 /nfs/dbraw/zinc/70/49/42/823704942.db2.gz ZEWBRTKIWYWPCO-HNNXBMFYSA-N 1 1 379.460 4.413 20 0 GIADMO CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000574341392 823705223 /nfs/dbraw/zinc/70/52/23/823705223.db2.gz FWTXPSUZBQBSAG-UZLBHIALSA-N 1 1 395.975 4.178 20 0 GIADMO O=C(Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000574348380 823706055 /nfs/dbraw/zinc/70/60/55/823706055.db2.gz BNFUALLZXQPKMY-MRXNPFEDSA-N 1 1 391.393 4.458 20 0 GIADMO Fc1ccc(-c2noc(C[NH+]3CCC(OCCc4ccccc4)CC3)n2)cc1 ZINC000125773807 823707282 /nfs/dbraw/zinc/70/72/82/823707282.db2.gz CGQWVMNMLOEUMF-UHFFFAOYSA-N 1 1 381.451 4.099 20 0 GIADMO C[NH+](C)CCOc1cnccc1CN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000574362228 823708759 /nfs/dbraw/zinc/70/87/59/823708759.db2.gz NDSUJSCXBXVBKP-GOSISDBHSA-N 1 1 380.319 4.106 20 0 GIADMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2ccc(F)cc2Cl)C1 ZINC000461840471 823710545 /nfs/dbraw/zinc/71/05/45/823710545.db2.gz UWDIQEXXOFXRQA-AWEZNQCLSA-N 1 1 376.859 4.359 20 0 GIADMO CC[N@@H+]1CCC[C@H](CNCc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000063917576 823711555 /nfs/dbraw/zinc/71/15/55/823711555.db2.gz OXAULOFKAWDMPP-HXUWFJFHSA-N 1 1 394.588 4.481 20 0 GIADMO CC[N@H+]1CCC[C@H](CNCc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000063917576 823711559 /nfs/dbraw/zinc/71/15/59/823711559.db2.gz OXAULOFKAWDMPP-HXUWFJFHSA-N 1 1 394.588 4.481 20 0 GIADMO Cc1oc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1C1CC1 ZINC000574375438 823712773 /nfs/dbraw/zinc/71/27/73/823712773.db2.gz JIWMBSOQOMGEQJ-GOSISDBHSA-N 1 1 382.508 4.284 20 0 GIADMO CC[C@H](C[N@@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1)Oc1ccc(Cl)c(Cl)c1 ZINC000191617492 823714431 /nfs/dbraw/zinc/71/44/31/823714431.db2.gz MWVSVEHJFSEZNL-CQSZACIVSA-N 1 1 398.334 4.313 20 0 GIADMO CC(C)CN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCc2cccnc21 ZINC000163495588 823715469 /nfs/dbraw/zinc/71/54/69/823715469.db2.gz VCBNYJOTJDTDGX-CTNGQTDRSA-N 1 1 384.568 4.144 20 0 GIADMO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000574387122 823716206 /nfs/dbraw/zinc/71/62/06/823716206.db2.gz RFYXIXLOOJJKRS-QWRGUYRKSA-N 1 1 398.251 4.190 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000125826673 823721457 /nfs/dbraw/zinc/72/14/57/823721457.db2.gz HCOPMAKTSJTHRU-HNNXBMFYSA-N 1 1 386.542 4.206 20 0 GIADMO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000125832982 823723318 /nfs/dbraw/zinc/72/33/18/823723318.db2.gz RPJRXYQIQDCNQE-LJQANCHMSA-N 1 1 379.834 4.247 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)o2)cc1 ZINC000163585553 823725574 /nfs/dbraw/zinc/72/55/74/823725574.db2.gz MPQSTCASKDOXIY-IBGZPJMESA-N 1 1 383.536 4.067 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000125842240 823726167 /nfs/dbraw/zinc/72/61/67/823726167.db2.gz YSNHYBCNEQXNBM-XMSQKQJNSA-N 1 1 394.519 4.152 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2ccncc2)CC1)c1cc2ccccc2o1 ZINC000191675288 823729491 /nfs/dbraw/zinc/72/94/91/823729491.db2.gz BKXWULSUNKFBKI-IRXDYDNUSA-N 1 1 377.488 4.273 20 0 GIADMO C[C@H](c1cccc(NCCC(=O)Nc2cccc(Cl)c2)c1)[NH+]1CCOCC1 ZINC000574446094 823732486 /nfs/dbraw/zinc/73/24/86/823732486.db2.gz OTOBXMIGGBWKPY-MRXNPFEDSA-N 1 1 387.911 4.174 20 0 GIADMO C[C@H](CCc1ccco1)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000574447786 823733191 /nfs/dbraw/zinc/73/31/91/823733191.db2.gz SKNKGMBPHQVFBX-TZIWHRDSSA-N 1 1 383.536 4.202 20 0 GIADMO CCN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@H]1CCOC1 ZINC000461885678 823738833 /nfs/dbraw/zinc/73/88/33/823738833.db2.gz SYVHETMEBCVJEG-INIZCTEOSA-N 1 1 382.533 4.035 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC(CC(F)(F)F)CC1 ZINC000574470583 823738884 /nfs/dbraw/zinc/73/88/84/823738884.db2.gz WHYRYRIRZVLWNL-QGZVFWFLSA-N 1 1 375.479 4.158 20 0 GIADMO CC(C)[NH+]1CCC(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000461889349 823739782 /nfs/dbraw/zinc/73/97/82/823739782.db2.gz LOWPOCYQRKLXKL-UHFFFAOYSA-N 1 1 389.503 4.198 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccnc2C(F)(F)F)C1 ZINC000574482904 823742923 /nfs/dbraw/zinc/74/29/23/823742923.db2.gz XLEQYNRLLPBKCG-ZFWWWQNUSA-N 1 1 378.398 4.057 20 0 GIADMO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461897432 823743325 /nfs/dbraw/zinc/74/33/25/823743325.db2.gz JJYUQARDZOXKQX-GFCCVEGCSA-N 1 1 382.291 4.410 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000125916984 823743845 /nfs/dbraw/zinc/74/38/45/823743845.db2.gz DIHYJJYGWKYOHF-KRWDZBQOSA-N 1 1 380.513 4.345 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000125916984 823743856 /nfs/dbraw/zinc/74/38/56/823743856.db2.gz DIHYJJYGWKYOHF-KRWDZBQOSA-N 1 1 380.513 4.345 20 0 GIADMO CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000413294753 823746830 /nfs/dbraw/zinc/74/68/30/823746830.db2.gz PAOPJNYLQYMRPA-OAQYLSRUSA-N 1 1 384.545 4.340 20 0 GIADMO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000163782338 823748915 /nfs/dbraw/zinc/74/89/15/823748915.db2.gz AJTWPIYGVFKREP-UHFFFAOYSA-N 1 1 398.434 4.294 20 0 GIADMO COCCOCc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000461909035 823749984 /nfs/dbraw/zinc/74/99/84/823749984.db2.gz HWTKXIFUMPRFNT-LJQANCHMSA-N 1 1 396.531 4.476 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(F)c(Cl)cc1Cl ZINC000163815434 823751596 /nfs/dbraw/zinc/75/15/96/823751596.db2.gz AIXVNQKTNVHKRO-GFCCVEGCSA-N 1 1 399.293 4.450 20 0 GIADMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3c3ccccc3Br)nc12 ZINC000125951892 823751661 /nfs/dbraw/zinc/75/16/61/823751661.db2.gz BGNBQWHPEGIIGG-SFHVURJKSA-N 1 1 398.304 4.103 20 0 GIADMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3c3ccccc3Br)nc12 ZINC000125951892 823751670 /nfs/dbraw/zinc/75/16/70/823751670.db2.gz BGNBQWHPEGIIGG-SFHVURJKSA-N 1 1 398.304 4.103 20 0 GIADMO C[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(Br)c1 ZINC000461915198 823752397 /nfs/dbraw/zinc/75/23/97/823752397.db2.gz DVXLVRQWCTXDFF-HOTGVXAUSA-N 1 1 381.358 4.323 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C2 ZINC000413324348 823752860 /nfs/dbraw/zinc/75/28/60/823752860.db2.gz IZYZVQMDRZTJEB-UWJYYQICSA-N 1 1 397.544 4.059 20 0 GIADMO COc1cncc(/C=C/CC[N@@H+](C)Cc2cc(OC)c(OC)cc2SC)c1 ZINC000574516214 823753318 /nfs/dbraw/zinc/75/33/18/823753318.db2.gz WFPWOKYCQSKKGD-SOFGYWHQSA-N 1 1 388.533 4.365 20 0 GIADMO COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574517678 823754252 /nfs/dbraw/zinc/75/42/52/823754252.db2.gz HQIAWIIEPUPDOD-XMMPIXPASA-N 1 1 394.559 4.136 20 0 GIADMO Cc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c(OCc2ccccc2)c1 ZINC000461920446 823755531 /nfs/dbraw/zinc/75/55/31/823755531.db2.gz SEACAJNDQDTSCU-UHFFFAOYSA-N 1 1 391.471 4.410 20 0 GIADMO C[C@H]1C[C@H](NC(=O)NCc2cnccc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000413351059 823757076 /nfs/dbraw/zinc/75/70/76/823757076.db2.gz AGBKLPPMPSPVSU-GHTZIAJQSA-N 1 1 394.563 4.231 20 0 GIADMO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000413354030 823758065 /nfs/dbraw/zinc/75/80/65/823758065.db2.gz QAHDFPXGZNIGKB-XYJFISCASA-N 1 1 385.474 4.175 20 0 GIADMO O=C(N[C@H](CCc1ccccc1)c1ccccc1)c1cc(C[NH+]2CCCC2)on1 ZINC000461927229 823759492 /nfs/dbraw/zinc/75/94/92/823759492.db2.gz KCJDJJRDHSHZMR-JOCHJYFZSA-N 1 1 389.499 4.374 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2cnccc2C(C)(C)C)cc1 ZINC000413362525 823759715 /nfs/dbraw/zinc/75/97/15/823759715.db2.gz QLMRKGMXMDPCOX-INIZCTEOSA-N 1 1 391.519 4.434 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(-c2nc(CC(=O)Nc3ccccc3C)no2)cc1 ZINC000574543393 823759914 /nfs/dbraw/zinc/75/99/14/823759914.db2.gz XYSURWMHAFDTHI-UHFFFAOYSA-N 1 1 392.503 4.458 20 0 GIADMO O=C(Nc1cc(F)ccc1OCC1CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000191766036 823760620 /nfs/dbraw/zinc/76/06/20/823760620.db2.gz AMTSJEQPGJLNFS-OXJNMPFZSA-N 1 1 387.499 4.095 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000125994569 823762467 /nfs/dbraw/zinc/76/24/67/823762467.db2.gz VUBPXHAJBRHZEU-RBUKOAKNSA-N 1 1 392.609 4.174 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000461931168 823762502 /nfs/dbraw/zinc/76/25/02/823762502.db2.gz LTTNMVXSQZHYBN-GXTWGEPZSA-N 1 1 383.439 4.036 20 0 GIADMO FC(F)(F)CC[N@@H+](Cc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000191782959 823766786 /nfs/dbraw/zinc/76/67/86/823766786.db2.gz NFRGQGCLJMHOPH-UHFFFAOYSA-N 1 1 378.438 4.478 20 0 GIADMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ncc(-c4ccccc4)s3)C2=O)cc1 ZINC000191796981 823771805 /nfs/dbraw/zinc/77/18/05/823771805.db2.gz KRRKHEUVSORPOL-IBGZPJMESA-N 1 1 377.513 4.009 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000191803641 823773970 /nfs/dbraw/zinc/77/39/70/823773970.db2.gz PXJBUJKMBOCUBO-UHFFFAOYSA-N 1 1 396.476 4.058 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000126052920 823775907 /nfs/dbraw/zinc/77/59/07/823775907.db2.gz RXNALMTVUHHIPY-RBBKRZOGSA-N 1 1 393.437 4.264 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1cscn1 ZINC000126058673 823777523 /nfs/dbraw/zinc/77/75/23/823777523.db2.gz GNUZEICFLFCLFW-INIZCTEOSA-N 1 1 389.590 4.067 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c(Cl)c1 ZINC000574608373 823779424 /nfs/dbraw/zinc/77/94/24/823779424.db2.gz RWEUZKAARHOGJT-SFHVURJKSA-N 1 1 383.923 4.032 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c(Cl)c1 ZINC000574608373 823779427 /nfs/dbraw/zinc/77/94/27/823779427.db2.gz RWEUZKAARHOGJT-SFHVURJKSA-N 1 1 383.923 4.032 20 0 GIADMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000574607220 823779578 /nfs/dbraw/zinc/77/95/78/823779578.db2.gz QIRQJZPERZVMBS-LJQANCHMSA-N 1 1 384.495 4.143 20 0 GIADMO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461980854 823781017 /nfs/dbraw/zinc/78/10/17/823781017.db2.gz DITAGNGLNUGZSN-QFIPXVFZSA-N 1 1 379.479 4.020 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)cc1)C1CC1 ZINC000164149444 823781571 /nfs/dbraw/zinc/78/15/71/823781571.db2.gz UNIDGHOTKKPTEJ-QFIPXVFZSA-N 1 1 377.532 4.388 20 0 GIADMO CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000574642140 823788007 /nfs/dbraw/zinc/78/80/07/823788007.db2.gz GSYXEONNQMJGDJ-BBRMVZONSA-N 1 1 379.426 4.382 20 0 GIADMO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831543 823789106 /nfs/dbraw/zinc/78/91/06/823789106.db2.gz AIPSZPHHYKPHHR-XLIONFOSSA-N 1 1 381.545 4.238 20 0 GIADMO C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831543 823789116 /nfs/dbraw/zinc/78/91/16/823789116.db2.gz AIPSZPHHYKPHHR-XLIONFOSSA-N 1 1 381.545 4.238 20 0 GIADMO CC[C@H](Cc1ccccc1Br)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000413506655 823789123 /nfs/dbraw/zinc/78/91/23/823789123.db2.gz VXPZEVBKSFNIOX-NUJGCVRESA-N 1 1 395.385 4.349 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CCC3=O)[C@@H]1c1cccs1 ZINC000574649329 823790509 /nfs/dbraw/zinc/79/05/09/823790509.db2.gz DVFWFQLNRDRTJI-FOIQADDNSA-N 1 1 383.517 4.082 20 0 GIADMO CCc1nc2c(s1)[C@H]([NH2+][C@@H](CCSC)c1nnc3ccccn31)CCC2 ZINC000164262059 823790777 /nfs/dbraw/zinc/79/07/77/823790777.db2.gz YKYABVRWGNRMOS-HIFRSBDPSA-N 1 1 387.578 4.210 20 0 GIADMO CCc1nc2c(s1)[C@H]([NH2+][C@H](CCSC)c1nnc3ccccn31)CCC2 ZINC000164262270 823791001 /nfs/dbraw/zinc/79/10/01/823791001.db2.gz YKYABVRWGNRMOS-UKRRQHHQSA-N 1 1 387.578 4.210 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000462008178 823792520 /nfs/dbraw/zinc/79/25/20/823792520.db2.gz HOPZHEHJEMAAKZ-QGZVFWFLSA-N 1 1 386.540 4.146 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000574657395 823792542 /nfs/dbraw/zinc/79/25/42/823792542.db2.gz MTXYSFNMEGSRIS-HXOBKFHXSA-N 1 1 393.510 4.197 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000574657395 823792548 /nfs/dbraw/zinc/79/25/48/823792548.db2.gz MTXYSFNMEGSRIS-HXOBKFHXSA-N 1 1 393.510 4.197 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000574657395 823792554 /nfs/dbraw/zinc/79/25/54/823792554.db2.gz MTXYSFNMEGSRIS-HXOBKFHXSA-N 1 1 393.510 4.197 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000574657397 823792944 /nfs/dbraw/zinc/79/29/44/823792944.db2.gz MTXYSFNMEGSRIS-UZUQRXQVSA-N 1 1 393.510 4.197 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000574657397 823792949 /nfs/dbraw/zinc/79/29/49/823792949.db2.gz MTXYSFNMEGSRIS-UZUQRXQVSA-N 1 1 393.510 4.197 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000574657397 823792955 /nfs/dbraw/zinc/79/29/55/823792955.db2.gz MTXYSFNMEGSRIS-UZUQRXQVSA-N 1 1 393.510 4.197 20 0 GIADMO O=C(NCCCc1c[nH]c2ccccc12)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000462015285 823795084 /nfs/dbraw/zinc/79/50/84/823795084.db2.gz NYLAQYICUMGJLH-QHCPKHFHSA-N 1 1 375.516 4.271 20 0 GIADMO CC[N@@H+](CCN1CCOC1=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000064348578 823797703 /nfs/dbraw/zinc/79/77/03/823797703.db2.gz SWGKHLVAURUOHJ-UHFFFAOYSA-N 1 1 382.382 4.240 20 0 GIADMO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)cc2)CC1 ZINC000191859217 823797981 /nfs/dbraw/zinc/79/79/81/823797981.db2.gz SVPPHNHRUUAPSW-UHFFFAOYSA-N 1 1 394.906 4.169 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000191862865 823798666 /nfs/dbraw/zinc/79/86/66/823798666.db2.gz LATQKAWOBXEELF-JKSUJKDBSA-N 1 1 389.540 4.146 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462025231 823799940 /nfs/dbraw/zinc/79/99/40/823799940.db2.gz HJAVJXVCADQUIA-GJZGRUSLSA-N 1 1 399.348 4.318 20 0 GIADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574711246 823805757 /nfs/dbraw/zinc/80/57/57/823805757.db2.gz SHSVYZCMPXZDIM-OCCSQVGLSA-N 1 1 395.334 4.180 20 0 GIADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574711246 823805764 /nfs/dbraw/zinc/80/57/64/823805764.db2.gz SHSVYZCMPXZDIM-OCCSQVGLSA-N 1 1 395.334 4.180 20 0 GIADMO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574711244 823805785 /nfs/dbraw/zinc/80/57/85/823805785.db2.gz SHSVYZCMPXZDIM-GXTWGEPZSA-N 1 1 395.334 4.180 20 0 GIADMO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000574711244 823805794 /nfs/dbraw/zinc/80/57/94/823805794.db2.gz SHSVYZCMPXZDIM-GXTWGEPZSA-N 1 1 395.334 4.180 20 0 GIADMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(OCc3ccc(F)cc3)cc1)C[C@@H](C)O2 ZINC000574716880 823807720 /nfs/dbraw/zinc/80/77/20/823807720.db2.gz XIHDPEJDRSJSHT-IEGUWTFLSA-N 1 1 385.479 4.173 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Br)c(OC)c1OC ZINC000164537358 823807831 /nfs/dbraw/zinc/80/78/31/823807831.db2.gz PGXOCHAONXCSHN-NSHDSACASA-N 1 1 398.272 4.465 20 0 GIADMO COc1cccc(C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]2CCCO2)c1 ZINC000064399953 823812143 /nfs/dbraw/zinc/81/21/43/823812143.db2.gz GASQVJVKAGFSQJ-FQEVSTJZSA-N 1 1 377.431 4.478 20 0 GIADMO Brc1ccn2cc(C[NH2+]C[C@@H](c3ccccc3)N3CCCC3)nc2c1 ZINC000574729951 823812336 /nfs/dbraw/zinc/81/23/36/823812336.db2.gz WSNXKUVEHVZRGK-IBGZPJMESA-N 1 1 399.336 4.024 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000462055233 823814645 /nfs/dbraw/zinc/81/46/45/823814645.db2.gz PVQJOBHWRTZOOT-UGSOOPFHSA-N 1 1 384.351 4.428 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000126228690 823816373 /nfs/dbraw/zinc/81/63/73/823816373.db2.gz JQQADRBXOJWXEY-MOPGFXCFSA-N 1 1 394.563 4.468 20 0 GIADMO CCC[N@H+](CCc1c(C)noc1C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000164706471 823816597 /nfs/dbraw/zinc/81/65/97/823816597.db2.gz WGQKBUKMBFIFCA-UHFFFAOYSA-N 1 1 384.307 4.491 20 0 GIADMO CCC[N@@H+](CCc1c(C)noc1C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000164706471 823816601 /nfs/dbraw/zinc/81/66/01/823816601.db2.gz WGQKBUKMBFIFCA-UHFFFAOYSA-N 1 1 384.307 4.491 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462078782 823821843 /nfs/dbraw/zinc/82/18/43/823821843.db2.gz IUDGMXMRQCLDHV-GXTWGEPZSA-N 1 1 389.487 4.197 20 0 GIADMO C[C@H](NC(=O)c1ccccc1NCc1ccccc1Cl)C1=CC[N@@H+](C)CC1 ZINC000413720350 823824962 /nfs/dbraw/zinc/82/49/62/823824962.db2.gz OICXGARXCZIFFQ-INIZCTEOSA-N 1 1 383.923 4.332 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000064480371 823827831 /nfs/dbraw/zinc/82/78/31/823827831.db2.gz ZEGUFMDIGDMYGW-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000064480371 823827839 /nfs/dbraw/zinc/82/78/39/823827839.db2.gz ZEGUFMDIGDMYGW-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)cc1 ZINC000126291864 823831683 /nfs/dbraw/zinc/83/16/83/823831683.db2.gz HAMCKGCWGUGAST-OXQOHEQNSA-N 1 1 380.488 4.236 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC(F)(F)F ZINC000413750931 823833533 /nfs/dbraw/zinc/83/35/33/823833533.db2.gz SXFUQOSBAJHWKT-XYJFISCASA-N 1 1 385.474 4.269 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(OCC2CC2)cc1 ZINC000064521019 823834627 /nfs/dbraw/zinc/83/46/27/823834627.db2.gz NNURXCIVHXAMLN-GOSISDBHSA-N 1 1 384.545 4.179 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)CC(F)(F)F)CC1)CC(C)C ZINC000413759113 823835517 /nfs/dbraw/zinc/83/55/17/823835517.db2.gz ICHDSUBSNXTMSU-MRXNPFEDSA-N 1 1 379.511 4.365 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(F)c(F)cc1Cl ZINC000064522164 823835900 /nfs/dbraw/zinc/83/59/00/823835900.db2.gz WGGZZQQCHIOFTI-LBPRGKRZSA-N 1 1 384.879 4.322 20 0 GIADMO O=C(COc1ccc2ccccc2c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064522186 823836076 /nfs/dbraw/zinc/83/60/76/823836076.db2.gz LNZWTGBDYNIXRG-SFHVURJKSA-N 1 1 394.540 4.309 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000574836733 823838034 /nfs/dbraw/zinc/83/80/34/823838034.db2.gz YIXBYUCVYWQIQB-CVDCTZTESA-N 1 1 377.532 4.150 20 0 GIADMO CO[C@](C)(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000462128863 823838397 /nfs/dbraw/zinc/83/83/97/823838397.db2.gz IHMFYJBIBRUCIP-CVAIRZPRSA-N 1 1 398.469 4.020 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+](Cc3cnc(CC(C)C)s3)CC2)n1 ZINC000192036513 823839542 /nfs/dbraw/zinc/83/95/42/823839542.db2.gz WPSBBKTVUZQUDV-UHFFFAOYSA-N 1 1 393.578 4.354 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N(Cc1ccccc1)Cc1ccccc1F ZINC000462136266 823840606 /nfs/dbraw/zinc/84/06/06/823840606.db2.gz ISWHNOMZKBPENN-UHFFFAOYSA-N 1 1 393.462 4.252 20 0 GIADMO CC(C)(C)n1ncc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(Cl)c1=O ZINC000064550809 823842282 /nfs/dbraw/zinc/84/22/82/823842282.db2.gz VPLFKKFWXIDDDA-AWEZNQCLSA-N 1 1 394.972 4.037 20 0 GIADMO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330812 823843784 /nfs/dbraw/zinc/84/37/84/823843784.db2.gz ZEZXGAGIVZCJPD-XUZZJYLKSA-N 1 1 388.559 4.147 20 0 GIADMO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330692 823844091 /nfs/dbraw/zinc/84/40/91/823844091.db2.gz ZEZXGAGIVZCJPD-QPPBQGQZSA-N 1 1 388.559 4.147 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)n2)ccc1F ZINC000192055880 823845474 /nfs/dbraw/zinc/84/54/74/823845474.db2.gz QQUAOVFMACBBNV-PKOBYXMFSA-N 1 1 387.842 4.457 20 0 GIADMO CCC(CC)[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CC1 ZINC000165366487 823845475 /nfs/dbraw/zinc/84/54/75/823845475.db2.gz GSIGWYUBQUHLAO-UHFFFAOYSA-N 1 1 385.430 4.255 20 0 GIADMO Clc1ccc(-c2noc(CC[N@@H+]3CCc4c5ccccc5[nH]c4C3)n2)cc1 ZINC000126366313 823849706 /nfs/dbraw/zinc/84/97/06/823849706.db2.gz CTNUXDGQGOJVMZ-UHFFFAOYSA-N 1 1 378.863 4.472 20 0 GIADMO Clc1ccc(-c2noc(CC[N@H+]3CCc4c5ccccc5[nH]c4C3)n2)cc1 ZINC000126366313 823849714 /nfs/dbraw/zinc/84/97/14/823849714.db2.gz CTNUXDGQGOJVMZ-UHFFFAOYSA-N 1 1 378.863 4.472 20 0 GIADMO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1-c1ncco1 ZINC000574886781 823852019 /nfs/dbraw/zinc/85/20/19/823852019.db2.gz VSGXYZBGSDXGIW-DYESRHJHSA-N 1 1 390.487 4.435 20 0 GIADMO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000192079800 823852928 /nfs/dbraw/zinc/85/29/28/823852928.db2.gz JECYJVHHRBNWKV-KRWDZBQOSA-N 1 1 394.581 4.185 20 0 GIADMO CSCC[C@H]([NH2+]Cc1cccc(OCC(C)C)c1)c1nnc2ccccn21 ZINC000126384340 823853640 /nfs/dbraw/zinc/85/36/40/823853640.db2.gz IIEKQOXJJOLMKL-IBGZPJMESA-N 1 1 384.549 4.348 20 0 GIADMO Cc1ccc2[nH]cc(CCC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c2c1 ZINC000462175545 823854878 /nfs/dbraw/zinc/85/48/78/823854878.db2.gz KTACDIHCZLIPAI-MBSDFSHPSA-N 1 1 375.516 4.046 20 0 GIADMO CCN(C(=O)NCC(C)(C)c1cccnc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000413887671 823859325 /nfs/dbraw/zinc/85/93/25/823859325.db2.gz JEDMMQPVHBAYNS-DENIHFKCSA-N 1 1 394.563 4.226 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccccc1OCC(=O)N(C)C ZINC000165695353 823859579 /nfs/dbraw/zinc/85/95/79/823859579.db2.gz RVQHIOVOYYXXHL-RDTXWAMCSA-N 1 1 376.447 4.234 20 0 GIADMO Clc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)cc1Cl ZINC000126414032 823861430 /nfs/dbraw/zinc/86/14/30/823861430.db2.gz OFWPYBXEUUFKHT-INIZCTEOSA-N 1 1 389.286 4.227 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000462190976 823862544 /nfs/dbraw/zinc/86/25/44/823862544.db2.gz RUIRGSAGCNPEJU-NSISKUIASA-N 1 1 390.449 4.359 20 0 GIADMO COCC[N@@H+](C)CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990492 823867862 /nfs/dbraw/zinc/86/78/62/823867862.db2.gz IPVINDPFKSKHOW-SIKLNZKXSA-N 1 1 398.547 4.208 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2ccccc2O1 ZINC000574959704 823871785 /nfs/dbraw/zinc/87/17/85/823871785.db2.gz PQUNNGDVXUQOGF-AWQBJMPUSA-N 1 1 399.560 4.343 20 0 GIADMO COc1ccccc1N(C(C)=O)c1nc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cs1 ZINC000166298188 823874386 /nfs/dbraw/zinc/87/43/86/823874386.db2.gz VHIPTMZBOAFZNC-IRXDYDNUSA-N 1 1 385.533 4.458 20 0 GIADMO CC(=O)N(c1nc(CN2CC[N@H+](C)CC23CCCCC3)cs1)c1ccccc1 ZINC000166291313 823874571 /nfs/dbraw/zinc/87/45/71/823874571.db2.gz GTMAYQKIZPVYLE-UHFFFAOYSA-N 1 1 398.576 4.278 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735389 823875023 /nfs/dbraw/zinc/87/50/23/823875023.db2.gz OVRRPNYOAJJRBF-UXLLHSPISA-N 1 1 387.549 4.118 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 ZINC000064736117 823875695 /nfs/dbraw/zinc/87/56/95/823875695.db2.gz QVAREZRBNKZYQV-XHSDSOJGSA-N 1 1 387.524 4.427 20 0 GIADMO Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1Cl ZINC000064735924 823875887 /nfs/dbraw/zinc/87/58/87/823875887.db2.gz FAUFYUBFDRYKRC-XMTFNYHQSA-N 1 1 378.944 4.280 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000064736887 823876410 /nfs/dbraw/zinc/87/64/10/823876410.db2.gz VKKMVCUOYPDDPF-GOSISDBHSA-N 1 1 389.499 4.274 20 0 GIADMO Cc1cc(CNC(=O)NC2(c3cccc(Cl)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000462217102 823877499 /nfs/dbraw/zinc/87/74/99/823877499.db2.gz DWVFYEJUWZBKSR-UHFFFAOYSA-N 1 1 384.911 4.132 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(F)(F)c2ccccc2)C1 ZINC000462221386 823878791 /nfs/dbraw/zinc/87/87/91/823878791.db2.gz CMMYENFCUAXGJS-QZTJIDSGSA-N 1 1 379.495 4.074 20 0 GIADMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000126490102 823882242 /nfs/dbraw/zinc/88/22/42/823882242.db2.gz XXBGRXHSWQMQMC-GOSISDBHSA-N 1 1 390.531 4.318 20 0 GIADMO COc1ccc2cc([C@H](C)C(=O)NCC[N@@H+](C)Cc3ccccc3)ccc2c1 ZINC000064804595 823888784 /nfs/dbraw/zinc/88/87/84/823888784.db2.gz GSQMTTYVTLDGFY-SFHVURJKSA-N 1 1 376.500 4.200 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cccnc1Cl ZINC000167346800 823890604 /nfs/dbraw/zinc/89/06/04/823890604.db2.gz VLQHBURENWEYGH-OAHLLOKOSA-N 1 1 395.894 4.303 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccc(OC(F)F)cc1F ZINC000575022195 823890481 /nfs/dbraw/zinc/89/04/81/823890481.db2.gz JDBBFNKLGCFZPW-HNNXBMFYSA-N 1 1 393.409 4.213 20 0 GIADMO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126537380 823893442 /nfs/dbraw/zinc/89/34/42/823893442.db2.gz UFOIYIQTXASWKG-ZHRRBRCNSA-N 1 1 377.532 4.136 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)CC[C@@H]21 ZINC000167737884 823894632 /nfs/dbraw/zinc/89/46/32/823894632.db2.gz NGVPEBKOWUHGTM-APWZRJJASA-N 1 1 390.959 4.278 20 0 GIADMO CC(C)[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(C(F)(F)F)cc1 ZINC000462245617 823894728 /nfs/dbraw/zinc/89/47/28/823894728.db2.gz IKYVLWGUZSMVLT-GOSISDBHSA-N 1 1 395.425 4.416 20 0 GIADMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2sccc2[nH]1 ZINC000192181769 823894740 /nfs/dbraw/zinc/89/47/40/823894740.db2.gz MOZGZHTZZKTNRI-MRXNPFEDSA-N 1 1 391.500 4.125 20 0 GIADMO COc1ccc(Cl)c(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000064829297 823895032 /nfs/dbraw/zinc/89/50/32/823895032.db2.gz XAKIUEUGSCVDSA-HUUCEWRRSA-N 1 1 388.895 4.210 20 0 GIADMO CC(C)(C)C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(Br)cc1 ZINC000414058026 823897408 /nfs/dbraw/zinc/89/74/08/823897408.db2.gz GOSVSQBNFFKBLU-OAHLLOKOSA-N 1 1 377.330 4.254 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(COC4CCCCC4)c3)CC[C@@H]21 ZINC000167885628 823897400 /nfs/dbraw/zinc/89/74/00/823897400.db2.gz ZIZMFEFYEQASBC-KNQAVFIVSA-N 1 1 385.552 4.484 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414060254 823898064 /nfs/dbraw/zinc/89/80/64/823898064.db2.gz JGRRKFFVDJQCLV-GOSISDBHSA-N 1 1 393.556 4.493 20 0 GIADMO CCc1cccc2c(C3CCN(C(=O)NC[C@H]4CC[N@H+](C5CC5)C4)CC3)c[nH]c21 ZINC000126556486 823898379 /nfs/dbraw/zinc/89/83/79/823898379.db2.gz QCEWQFBPYYSPIA-QGZVFWFLSA-N 1 1 394.563 4.104 20 0 GIADMO CCN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](C)C1 ZINC000167901227 823898443 /nfs/dbraw/zinc/89/84/43/823898443.db2.gz INUKPIAQBCHXIR-FOIQADDNSA-N 1 1 384.395 4.278 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000462251583 823898987 /nfs/dbraw/zinc/89/89/87/823898987.db2.gz BOJRVVSHHQCSIJ-DYVFJYSZSA-N 1 1 393.409 4.069 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC1([NH+](C)C)CCOCC1 ZINC000168260097 823901343 /nfs/dbraw/zinc/90/13/43/823901343.db2.gz NUOYMRREMGPWGK-CQSZACIVSA-N 1 1 377.529 4.019 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000462259035 823902416 /nfs/dbraw/zinc/90/24/16/823902416.db2.gz MNSSUCUIGBJPAY-FOIQADDNSA-N 1 1 390.487 4.347 20 0 GIADMO CC[C@@H](C(=O)Nc1cccc(CN2CCSCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000575066623 823903322 /nfs/dbraw/zinc/90/33/22/823903322.db2.gz ZZXMUHDFBBAMJS-QFIPXVFZSA-N 1 1 397.588 4.085 20 0 GIADMO CC[C@@H](C(=O)Nc1cccc(CN2CCSCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000575066623 823903326 /nfs/dbraw/zinc/90/33/26/823903326.db2.gz ZZXMUHDFBBAMJS-QFIPXVFZSA-N 1 1 397.588 4.085 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)cc1OC ZINC000168597395 823904280 /nfs/dbraw/zinc/90/42/80/823904280.db2.gz RRAHEWQYSRDTDC-CVEARBPZSA-N 1 1 383.467 4.500 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)cc1OC ZINC000168597307 823904470 /nfs/dbraw/zinc/90/44/70/823904470.db2.gz RRAHEWQYSRDTDC-JKSUJKDBSA-N 1 1 383.467 4.500 20 0 GIADMO CC(C)OCc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000462269179 823907347 /nfs/dbraw/zinc/90/73/47/823907347.db2.gz RRCNGFUKRDZGOS-XMSQKQJNSA-N 1 1 381.520 4.254 20 0 GIADMO C[C@H](NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106745 823911422 /nfs/dbraw/zinc/91/14/22/823911422.db2.gz RHEAUQABDNPFIK-YYWHXJBOSA-N 1 1 393.556 4.096 20 0 GIADMO C[C@H](NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106745 823911426 /nfs/dbraw/zinc/91/14/26/823911426.db2.gz RHEAUQABDNPFIK-YYWHXJBOSA-N 1 1 393.556 4.096 20 0 GIADMO Cc1ccc2cccc(C(=O)Nc3ccc([C@@H](C)[NH+]4CCOCC4)cc3)c2n1 ZINC000126614320 823911521 /nfs/dbraw/zinc/91/15/21/823911521.db2.gz NWQUPQGGYSROJT-QGZVFWFLSA-N 1 1 375.472 4.189 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000462282548 823911563 /nfs/dbraw/zinc/91/15/63/823911563.db2.gz WMVGGBDHYDPOFI-UGSOOPFHSA-N 1 1 399.445 4.143 20 0 GIADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000462282548 823911569 /nfs/dbraw/zinc/91/15/69/823911569.db2.gz WMVGGBDHYDPOFI-UGSOOPFHSA-N 1 1 399.445 4.143 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000462282548 823911580 /nfs/dbraw/zinc/91/15/80/823911580.db2.gz WMVGGBDHYDPOFI-UGSOOPFHSA-N 1 1 399.445 4.143 20 0 GIADMO O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126616345 823912100 /nfs/dbraw/zinc/91/21/00/823912100.db2.gz QRYMEDTWKVPKJE-OXJNMPFZSA-N 1 1 394.540 4.068 20 0 GIADMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1Cl ZINC000462300785 823916354 /nfs/dbraw/zinc/91/63/54/823916354.db2.gz JUZRZDAFZZADDT-KSSFIOAISA-N 1 1 398.981 4.071 20 0 GIADMO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C)c3cc4n(n3)CCC4)cc2)c1 ZINC000414156657 823920144 /nfs/dbraw/zinc/92/01/44/823920144.db2.gz VEEFPVJTIZSOJI-INIZCTEOSA-N 1 1 393.487 4.490 20 0 GIADMO Cc1nccnc1[C@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000414174418 823922667 /nfs/dbraw/zinc/92/26/67/823922667.db2.gz HHCOYYNCLFICPK-OFAXGOBFSA-N 1 1 390.506 4.243 20 0 GIADMO Cc1nccnc1[C@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000414174418 823922677 /nfs/dbraw/zinc/92/26/77/823922677.db2.gz HHCOYYNCLFICPK-OFAXGOBFSA-N 1 1 390.506 4.243 20 0 GIADMO CC(C)[N@@H+](CCC(C)(C)O)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000462320495 823923684 /nfs/dbraw/zinc/92/36/84/823923684.db2.gz RRNNEHDSUCWSNV-UHFFFAOYSA-N 1 1 380.838 4.169 20 0 GIADMO CC(C)[C@@H]1[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414179970 823923788 /nfs/dbraw/zinc/92/37/88/823923788.db2.gz KSYRCORQVGZAEX-SFHVURJKSA-N 1 1 384.442 4.171 20 0 GIADMO Ic1ccccc1[C@@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000462322873 823924378 /nfs/dbraw/zinc/92/43/78/823924378.db2.gz RFLNHTXGRRUSCK-SFHVURJKSA-N 1 1 392.284 4.456 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000575151716 823924589 /nfs/dbraw/zinc/92/45/89/823924589.db2.gz PJFWISAWBDWHDV-QGZVFWFLSA-N 1 1 396.531 4.206 20 0 GIADMO CC(C)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000462323256 823925035 /nfs/dbraw/zinc/92/50/35/823925035.db2.gz HFPKHEGZOQISHG-YLJYHZDGSA-N 1 1 392.590 4.233 20 0 GIADMO CC(=O)Nc1cccc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1 ZINC000170643319 823925007 /nfs/dbraw/zinc/92/50/07/823925007.db2.gz AFXLDTVNCSOAKZ-RBUKOAKNSA-N 1 1 379.287 4.042 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000170647494 823925974 /nfs/dbraw/zinc/92/59/74/823925974.db2.gz XCWWLECDDLSFLT-CQSZACIVSA-N 1 1 375.900 4.235 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647738 823926447 /nfs/dbraw/zinc/92/64/47/823926447.db2.gz PVJHBCFXZZEDJL-AWEZNQCLSA-N 1 1 377.510 4.058 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647738 823926455 /nfs/dbraw/zinc/92/64/55/823926455.db2.gz PVJHBCFXZZEDJL-AWEZNQCLSA-N 1 1 377.510 4.058 20 0 GIADMO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000462328380 823926466 /nfs/dbraw/zinc/92/64/66/823926466.db2.gz TVJQMPVASCPAJA-MJGOQNOKSA-N 1 1 392.590 4.035 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cc(OC)ccc2OC)c1 ZINC000414205343 823928065 /nfs/dbraw/zinc/92/80/65/823928065.db2.gz CQZPHXXBTMHAIQ-CYBMUJFWSA-N 1 1 397.924 4.002 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(OC)cc2F)c1 ZINC000414205058 823928127 /nfs/dbraw/zinc/92/81/27/823928127.db2.gz CHPAKRCOIOMNMX-LBPRGKRZSA-N 1 1 385.888 4.132 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(OC)cc1 ZINC000126698337 823930035 /nfs/dbraw/zinc/93/00/35/823930035.db2.gz REGKDEKBLGABJT-JTSKRJEESA-N 1 1 385.527 4.388 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)c1 ZINC000414212677 823930483 /nfs/dbraw/zinc/93/04/83/823930483.db2.gz RLNQIEQKKOZAPI-AWEZNQCLSA-N 1 1 395.956 4.296 20 0 GIADMO Cc1ccc(C)c(Oc2ccc(C[NH2+]Cc3cnnn3Cc3ccccc3)cn2)c1 ZINC000575187818 823934366 /nfs/dbraw/zinc/93/43/66/823934366.db2.gz QFPOQGMFPZFROR-UHFFFAOYSA-N 1 1 399.498 4.420 20 0 GIADMO CN1CCO[C@H]([C@@H]([NH2+]Cc2cnccc2C(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000414235298 823935472 /nfs/dbraw/zinc/93/54/72/823935472.db2.gz UEQKIBCBHUQQHQ-SFTDATJTSA-N 1 1 387.955 4.194 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@H](Cc1ccccc1)C[NH+](C)C ZINC000462352744 823936434 /nfs/dbraw/zinc/93/64/34/823936434.db2.gz OUGUVURICVYJKX-OAQYLSRUSA-N 1 1 382.939 4.097 20 0 GIADMO CCOc1ccc(Oc2ccccc2NC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000170681668 823936525 /nfs/dbraw/zinc/93/65/25/823936525.db2.gz BLCIFHWWHSCPHD-UHFFFAOYSA-N 1 1 398.503 4.319 20 0 GIADMO Cc1cc([C@H](C)NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c(C)s1 ZINC000170684445 823938206 /nfs/dbraw/zinc/93/82/06/823938206.db2.gz RZHSNHAGWBHFQJ-ZDUSSCGKSA-N 1 1 377.579 4.219 20 0 GIADMO C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000575207672 823939208 /nfs/dbraw/zinc/93/92/08/823939208.db2.gz GHXGVDLWWHAPMX-MRXNPFEDSA-N 1 1 395.837 4.462 20 0 GIADMO C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000575207672 823939216 /nfs/dbraw/zinc/93/92/16/823939216.db2.gz GHXGVDLWWHAPMX-MRXNPFEDSA-N 1 1 395.837 4.462 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414247415 823940177 /nfs/dbraw/zinc/94/01/77/823940177.db2.gz VJUWWLFATYLYAL-CQSZACIVSA-N 1 1 386.542 4.373 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000414247867 823940318 /nfs/dbraw/zinc/94/03/18/823940318.db2.gz VSOGLSMZMZMWKM-QGZVFWFLSA-N 1 1 398.553 4.381 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000575213499 823941164 /nfs/dbraw/zinc/94/11/64/823941164.db2.gz FJTOEAHSWYECEL-SIKLNZKXSA-N 1 1 381.520 4.106 20 0 GIADMO Nc1c(Cl)cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1Cl ZINC000192306366 823941338 /nfs/dbraw/zinc/94/13/38/823941338.db2.gz NTOSTVZFGIWXQR-UHFFFAOYSA-N 1 1 393.318 4.315 20 0 GIADMO Fc1ccc(F)c2c1CC[C@@H]2[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462366437 823942958 /nfs/dbraw/zinc/94/29/58/823942958.db2.gz SJGVUBFCEYZZIC-INIZCTEOSA-N 1 1 380.232 4.439 20 0 GIADMO CC(C)C[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccs1 ZINC000065104751 823943294 /nfs/dbraw/zinc/94/32/94/823943294.db2.gz NQJLXMHEIUFBML-HXUWFJFHSA-N 1 1 385.577 4.013 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cc(N2CCCC2)[nH+]1 ZINC000575226558 823946382 /nfs/dbraw/zinc/94/63/82/823946382.db2.gz ZELQMPKSCSIWIV-OPAMFIHVSA-N 1 1 396.510 4.422 20 0 GIADMO O=C(Oc1cccc(Oc2ncccn2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000170707231 823948707 /nfs/dbraw/zinc/94/87/07/823948707.db2.gz AOWGAEVOUNILCU-LJQANCHMSA-N 1 1 389.455 4.087 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3cccc(Br)c3C)CC2)[nH+]c1 ZINC000170709076 823949424 /nfs/dbraw/zinc/94/94/24/823949424.db2.gz NSRZBVKNTSUNQS-UHFFFAOYSA-N 1 1 388.309 4.316 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000065140846 823950800 /nfs/dbraw/zinc/95/08/00/823950800.db2.gz UQBQQQPGSYWVET-APWZRJJASA-N 1 1 386.923 4.449 20 0 GIADMO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065157953 823952950 /nfs/dbraw/zinc/95/29/50/823952950.db2.gz YYDAZAGKHBVIGA-SFHVURJKSA-N 1 1 397.469 4.017 20 0 GIADMO COc1ccccc1-c1nc(C2CC[NH+](Cc3nc(C)c(C)s3)CC2)no1 ZINC000192343509 823954156 /nfs/dbraw/zinc/95/41/56/823954156.db2.gz JFYACOKALWZWSY-UHFFFAOYSA-N 1 1 384.505 4.198 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+](Cc2ccccc2)CC2CCC2)cc1F ZINC000065161403 823954455 /nfs/dbraw/zinc/95/44/55/823954455.db2.gz MRKHUGUZFQWPNC-UHFFFAOYSA-N 1 1 384.495 4.095 20 0 GIADMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000065165781 823956454 /nfs/dbraw/zinc/95/64/54/823956454.db2.gz KBCCLDNEVILJNP-UHFFFAOYSA-N 1 1 381.472 4.230 20 0 GIADMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000170733795 823957639 /nfs/dbraw/zinc/95/76/39/823957639.db2.gz PIMPXUOXURSRGB-ZDUSSCGKSA-N 1 1 397.466 4.306 20 0 GIADMO c1nc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)sc1-c1ccccc1 ZINC000192355903 823957823 /nfs/dbraw/zinc/95/78/23/823957823.db2.gz HTYZZIKQXKBZGK-NRFANRHFSA-N 1 1 393.556 4.191 20 0 GIADMO c1nc(C2CCCC2)sc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356766 823957864 /nfs/dbraw/zinc/95/78/64/823957864.db2.gz YWGKICNFMZZOGU-HXUWFJFHSA-N 1 1 385.577 4.181 20 0 GIADMO c1nc(C2CCCC2)sc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356766 823957868 /nfs/dbraw/zinc/95/78/68/823957868.db2.gz YWGKICNFMZZOGU-HXUWFJFHSA-N 1 1 385.577 4.181 20 0 GIADMO c1nc(-c2ccccc2)sc1CNC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356058 823958062 /nfs/dbraw/zinc/95/80/62/823958062.db2.gz QJPVZBOMVSQBMQ-NRFANRHFSA-N 1 1 393.556 4.191 20 0 GIADMO c1nc(-c2ccccc2)sc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192356058 823958075 /nfs/dbraw/zinc/95/80/75/823958075.db2.gz QJPVZBOMVSQBMQ-NRFANRHFSA-N 1 1 393.556 4.191 20 0 GIADMO Fc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)cc1 ZINC000414342627 823961794 /nfs/dbraw/zinc/96/17/94/823961794.db2.gz ITUBULANWGMBDZ-HIGZBPRKSA-N 1 1 379.523 4.190 20 0 GIADMO C[NH+](C)[C@@H](C(=O)NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc(Cl)c1 ZINC000575376349 823965283 /nfs/dbraw/zinc/96/52/83/823965283.db2.gz LJHSKBDHUONRHH-SJLPKXTDSA-N 1 1 398.856 4.480 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000575398416 823966342 /nfs/dbraw/zinc/96/63/42/823966342.db2.gz LYQQKSAOWMZHMU-MIZPHKNDSA-N 1 1 398.572 4.235 20 0 GIADMO Cc1cc(CNCc2ccccc2C[NH+]2CCC(O)CC2)ccc1C(F)(F)F ZINC000414365768 823966416 /nfs/dbraw/zinc/96/64/16/823966416.db2.gz PKIQPWWNZFLOIP-UHFFFAOYSA-N 1 1 392.465 4.260 20 0 GIADMO O=C(c1ccc2ccccc2c1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000575400286 823967215 /nfs/dbraw/zinc/96/72/15/823967215.db2.gz XQRHIILLRVQXRZ-UHFFFAOYSA-N 1 1 388.515 4.050 20 0 GIADMO COc1cccc([C@@H](C)C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000170774502 823967466 /nfs/dbraw/zinc/96/74/66/823967466.db2.gz BXPVMRHNRNHSEZ-LJQANCHMSA-N 1 1 380.532 4.169 20 0 GIADMO CC[N@@H+](Cc1cn(-c2cccc(F)c2)nc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000414376910 823968648 /nfs/dbraw/zinc/96/86/48/823968648.db2.gz ALYYYCPXCIBQDY-UHFFFAOYSA-N 1 1 394.494 4.044 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000126865332 823969458 /nfs/dbraw/zinc/96/94/58/823969458.db2.gz YRAWUMQGEKKRAJ-HKUYNNGSSA-N 1 1 377.488 4.054 20 0 GIADMO CCC1CCN(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000575432558 823970389 /nfs/dbraw/zinc/97/03/89/823970389.db2.gz HVVAJCWJLVWNIR-UHFFFAOYSA-N 1 1 396.535 4.138 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000192400098 823970817 /nfs/dbraw/zinc/97/08/17/823970817.db2.gz TVACHDGTWQVKCE-CQSZACIVSA-N 1 1 393.582 4.017 20 0 GIADMO O[C@](C[NH2+]Cc1csc(-c2ccsc2)n1)(c1ccccc1)C(F)(F)F ZINC000170790635 823972374 /nfs/dbraw/zinc/97/23/74/823972374.db2.gz NXPXKOYFBNKXOV-MRXNPFEDSA-N 1 1 384.448 4.411 20 0 GIADMO CCn1cc(C[N@H+](C)Cc2cc(Br)cc(Br)c2)cn1 ZINC000575587374 823978231 /nfs/dbraw/zinc/97/82/31/823978231.db2.gz KUPHHGLLZBYUIR-UHFFFAOYSA-N 1 1 387.119 4.060 20 0 GIADMO CCn1cc(C[N@@H+](C)Cc2cc(Br)cc(Br)c2)cn1 ZINC000575587374 823978236 /nfs/dbraw/zinc/97/82/36/823978236.db2.gz KUPHHGLLZBYUIR-UHFFFAOYSA-N 1 1 387.119 4.060 20 0 GIADMO CCCCOc1cc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)ccc1OC ZINC000575600652 823978905 /nfs/dbraw/zinc/97/89/05/823978905.db2.gz ZLGVMBAADMDNAC-IBGZPJMESA-N 1 1 388.508 4.270 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000575600691 823978951 /nfs/dbraw/zinc/97/89/51/823978951.db2.gz AWDBPJWFDQLBAZ-AWEZNQCLSA-N 1 1 387.351 4.077 20 0 GIADMO Cc1nn(C)c2ncc(C[N@@H+](Cc3ccc4c(c3)CCO4)C3CCCC3)cc12 ZINC000170817321 823979172 /nfs/dbraw/zinc/97/91/72/823979172.db2.gz FLMNJGADMIEFDL-UHFFFAOYSA-N 1 1 376.504 4.156 20 0 GIADMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@@H]3CCC[C@@H](C)C3)c2C1 ZINC000170820274 823979522 /nfs/dbraw/zinc/97/95/22/823979522.db2.gz VNSXYKXRPSWDNT-ZIFCJYIRSA-N 1 1 385.552 4.022 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)Nc1cccc2c1C[N@@H+](CCCOC)C2 ZINC000170822951 823979976 /nfs/dbraw/zinc/97/99/76/823979976.db2.gz HLEGPVZRXIZZCB-KRWDZBQOSA-N 1 1 381.520 4.040 20 0 GIADMO O=C(Nc1ccccc1NCc1ccc(Cl)cc1)[C@@H]1CC[NH2+]CC1(F)F ZINC000575749933 823986002 /nfs/dbraw/zinc/98/60/02/823986002.db2.gz GNYDECSCKCZOQJ-HNNXBMFYSA-N 1 1 379.838 4.135 20 0 GIADMO Cc1ccc(SCc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C2CC2)cc1 ZINC000575755874 823986390 /nfs/dbraw/zinc/98/63/90/823986390.db2.gz IHDZEAOISSEWRM-UHFFFAOYSA-N 1 1 385.581 4.134 20 0 GIADMO COc1cccc(COC[C@H](O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126958041 823989335 /nfs/dbraw/zinc/98/93/35/823989335.db2.gz GXISTNRRQWVPLT-FYYLOGMGSA-N 1 1 398.547 4.003 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000192438090 823993052 /nfs/dbraw/zinc/99/30/52/823993052.db2.gz JPELOCONJXDDLP-INIZCTEOSA-N 1 1 389.540 4.290 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cccc(Cl)c2F)c1 ZINC000414491727 823994133 /nfs/dbraw/zinc/99/41/33/823994133.db2.gz DAVIYRHRQNPJJX-UHFFFAOYSA-N 1 1 376.280 4.216 20 0 GIADMO C[C@H](CNC(=O)c1c(Cl)nccc1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000126985843 823995047 /nfs/dbraw/zinc/99/50/47/823995047.db2.gz LQEAAMYZQICAJK-GFCCVEGCSA-N 1 1 385.817 4.004 20 0 GIADMO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812699 824002073 /nfs/dbraw/zinc/00/20/73/824002073.db2.gz NXWSLILBNHBNGK-YJBOKZPZSA-N 1 1 393.409 4.094 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812699 824002078 /nfs/dbraw/zinc/00/20/78/824002078.db2.gz NXWSLILBNHBNGK-YJBOKZPZSA-N 1 1 393.409 4.094 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@H](O)C(C)C ZINC000414528002 824002494 /nfs/dbraw/zinc/00/24/94/824002494.db2.gz NSMFAQJINLSHLI-RBUKOAKNSA-N 1 1 375.538 4.021 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@H](O)C(C)C ZINC000414528003 824002550 /nfs/dbraw/zinc/00/25/50/824002550.db2.gz NSMFAQJINLSHLI-RTBURBONSA-N 1 1 375.538 4.021 20 0 GIADMO C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000575830218 824006045 /nfs/dbraw/zinc/00/60/45/824006045.db2.gz LAPZDDWOBPXTDR-UONOGXRCSA-N 1 1 388.393 4.208 20 0 GIADMO C[N@@H+]1C[C@H]2CN(C(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)C[C@H]2C1 ZINC000192478674 824006703 /nfs/dbraw/zinc/00/67/03/824006703.db2.gz WNGALDICEJEXSL-AOOOYVTPSA-N 1 1 388.842 4.207 20 0 GIADMO C[C@H](Oc1ccc(Cl)c(Cl)c1)c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000575836340 824008065 /nfs/dbraw/zinc/00/80/65/824008065.db2.gz BJBMBAHXHGLYTP-BKGUAONASA-N 1 1 398.290 4.442 20 0 GIADMO C[C@H](Oc1ccc(Cl)c(Cl)c1)c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000575836340 824008072 /nfs/dbraw/zinc/00/80/72/824008072.db2.gz BJBMBAHXHGLYTP-BKGUAONASA-N 1 1 398.290 4.442 20 0 GIADMO CCOc1cc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)ccc1OC ZINC000575837622 824008645 /nfs/dbraw/zinc/00/86/45/824008645.db2.gz IHIBGFYQLPCTBN-UHFFFAOYSA-N 1 1 377.488 4.129 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414552196 824010168 /nfs/dbraw/zinc/01/01/68/824010168.db2.gz PXCVHFMMTKOYMC-OAHLLOKOSA-N 1 1 384.351 4.036 20 0 GIADMO COc1cc(C[NH+]2CC(CO)(c3ccccc3)C2)ccc1OCc1cccs1 ZINC000414554734 824010896 /nfs/dbraw/zinc/01/08/96/824010896.db2.gz VSFKUVBGMBFKCF-UHFFFAOYSA-N 1 1 395.524 4.082 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000414556477 824011259 /nfs/dbraw/zinc/01/12/59/824011259.db2.gz VWTFEWBQQWFKNN-NSHDSACASA-N 1 1 391.762 4.141 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000414556477 824011267 /nfs/dbraw/zinc/01/12/67/824011267.db2.gz VWTFEWBQQWFKNN-NSHDSACASA-N 1 1 391.762 4.141 20 0 GIADMO CC(C)C[N@@H+](CCC(=O)Nc1cc(N)ccc1F)[C@@H]1CCCc2cccnc21 ZINC000127075450 824012048 /nfs/dbraw/zinc/01/20/48/824012048.db2.gz ZVKQYZLCMCNKTR-HXUWFJFHSA-N 1 1 384.499 4.167 20 0 GIADMO OC[C@H]1C[N@@H+](Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)CC[C@@H]1O ZINC000414560289 824012495 /nfs/dbraw/zinc/01/24/95/824012495.db2.gz QMOWHUUIESEJBF-BWKNWUBXSA-N 1 1 388.511 4.332 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000414560859 824012867 /nfs/dbraw/zinc/01/28/67/824012867.db2.gz RNWGBSOMJZXOLR-INIZCTEOSA-N 1 1 393.524 4.046 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC000127102559 824017917 /nfs/dbraw/zinc/01/79/17/824017917.db2.gz ZUTUTLVKSWLCPP-RTWAWAEBSA-N 1 1 392.499 4.380 20 0 GIADMO CN(C(=O)OC(C)(C)C)C1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000170960014 824019576 /nfs/dbraw/zinc/01/95/76/824019576.db2.gz SSCZLDDCNMEEPP-UHFFFAOYSA-N 1 1 397.519 4.110 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc(Cl)c1OC ZINC000127119040 824021212 /nfs/dbraw/zinc/02/12/12/824021212.db2.gz ZHBKSWSTNUYIIK-CQSZACIVSA-N 1 1 386.883 4.131 20 0 GIADMO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000127142687 824025551 /nfs/dbraw/zinc/02/55/51/824025551.db2.gz WCQRMAVTUBJALO-ZCNNSNEGSA-N 1 1 394.563 4.462 20 0 GIADMO COc1ccc2sc(-c3nc([C@H]4C[N@H+]5CCC[C@]5(C)CO4)no3)c(C)c2c1 ZINC000575907091 824025923 /nfs/dbraw/zinc/02/59/23/824025923.db2.gz XIVDITMOJJZDFE-FOIQADDNSA-N 1 1 385.489 4.194 20 0 GIADMO CCNC(=O)COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)cc1OC ZINC000575907462 824026552 /nfs/dbraw/zinc/02/65/52/824026552.db2.gz HNKDRVAZTJDOMH-GHTZIAJQSA-N 1 1 396.531 4.183 20 0 GIADMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000192554804 824030144 /nfs/dbraw/zinc/03/01/44/824030144.db2.gz IVWSQARSTDRVNC-UHFFFAOYSA-N 1 1 395.503 4.297 20 0 GIADMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000192554804 824030149 /nfs/dbraw/zinc/03/01/49/824030149.db2.gz IVWSQARSTDRVNC-UHFFFAOYSA-N 1 1 395.503 4.297 20 0 GIADMO C[C@@H](c1cccc(NCc2cc3c(cc2Cl)OCCO3)c1)[NH+]1CCOCC1 ZINC000575952840 824035934 /nfs/dbraw/zinc/03/59/34/824035934.db2.gz JKVFAWNIXKXDAD-HNNXBMFYSA-N 1 1 388.895 4.117 20 0 GIADMO COc1cccc(-c2nn(C(C)(C)C)cc2CNC[C@H]([NH3+])c2ccccc2)c1 ZINC000414824205 824039449 /nfs/dbraw/zinc/03/94/49/824039449.db2.gz ALPMGRYJQZHMMA-NRFANRHFSA-N 1 1 378.520 4.103 20 0 GIADMO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)cn1 ZINC000575967387 824040966 /nfs/dbraw/zinc/04/09/66/824040966.db2.gz PKTJHHMKZPSSRN-UHFFFAOYSA-N 1 1 375.472 4.446 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H]3CCC[C@@H]3C(C)(C)C)CC2)oc1C ZINC000575969427 824041281 /nfs/dbraw/zinc/04/12/81/824041281.db2.gz FWVZSGAEPLHLQD-RBUKOAKNSA-N 1 1 390.572 4.017 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cn(CCOC)c4ccccc34)c2C1 ZINC000171028198 824042125 /nfs/dbraw/zinc/04/21/25/824042125.db2.gz PDQUGFGHHLIOPP-UHFFFAOYSA-N 1 1 377.488 4.266 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3cn(CCOC)c4ccccc34)c2C1 ZINC000171028198 824042129 /nfs/dbraw/zinc/04/21/29/824042129.db2.gz PDQUGFGHHLIOPP-UHFFFAOYSA-N 1 1 377.488 4.266 20 0 GIADMO Cc1cccc2nc(C[N@H+]3CCC[C@@H](c4nc(-c5ccc(F)cc5)no4)C3)cn21 ZINC000171038388 824044130 /nfs/dbraw/zinc/04/41/30/824044130.db2.gz KYMFYRQAANUEPA-QGZVFWFLSA-N 1 1 391.450 4.211 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@@H](c3ccc(OC)cc3)C3CC3)n2)cc1 ZINC000192609031 824044859 /nfs/dbraw/zinc/04/48/59/824044859.db2.gz RISQRELMDDBDFE-OAQYLSRUSA-N 1 1 379.460 4.385 20 0 GIADMO C[C@@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CCCO1 ZINC000171046806 824046847 /nfs/dbraw/zinc/04/68/47/824046847.db2.gz CXWYRXYJHZGQBZ-OAHLLOKOSA-N 1 1 382.533 4.035 20 0 GIADMO c1ccc(COc2ccc(C[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)cc2)cc1 ZINC000171053107 824048668 /nfs/dbraw/zinc/04/86/68/824048668.db2.gz ZAPDPLQDRGXYNA-NRFANRHFSA-N 1 1 388.515 4.183 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCS3)n2Cc2ccccc2)C1 ZINC000576027406 824052797 /nfs/dbraw/zinc/05/27/97/824052797.db2.gz FPZKUYBIBPFFJD-WOJBJXKFSA-N 1 1 399.608 4.063 20 0 GIADMO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000192637819 824052819 /nfs/dbraw/zinc/05/28/19/824052819.db2.gz GUNVZEQCFQZNET-QGHHPUGFSA-N 1 1 386.275 4.100 20 0 GIADMO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccccc4Cl)CC3)cc2NC1=O ZINC000171066480 824054211 /nfs/dbraw/zinc/05/42/11/824054211.db2.gz ONHSJOTXQQVPDD-AWEZNQCLSA-N 1 1 398.890 4.154 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](OC(C)C)C3)cs2)cc1OC ZINC000576035265 824055005 /nfs/dbraw/zinc/05/50/05/824055005.db2.gz HCSVCXKDMPECNP-QGZVFWFLSA-N 1 1 376.522 4.217 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](OC(C)C)C3)cs2)cc1OC ZINC000576035265 824055010 /nfs/dbraw/zinc/05/50/10/824055010.db2.gz HCSVCXKDMPECNP-QGZVFWFLSA-N 1 1 376.522 4.217 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC000040937550 205075586 /nfs/dbraw/zinc/07/55/86/205075586.db2.gz ZVSOQMNOCJWZQN-UHFFFAOYSA-N 1 1 391.902 4.360 20 0 GIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3CCCO[C@@H]3C2)n1 ZINC001164421090 718902542 /nfs/dbraw/zinc/90/25/42/718902542.db2.gz OQJIMONKWAWRQT-IAGOWNOFSA-N 1 1 388.581 4.155 20 0 GIADMO FC(F)(c1ccnc(Cl)c1)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621310 719054316 /nfs/dbraw/zinc/05/43/16/719054316.db2.gz INZXGUUSESEJFD-WMZOPIPTSA-N 1 1 377.866 4.381 20 0 GIADMO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164621973 719056290 /nfs/dbraw/zinc/05/62/90/719056290.db2.gz KJTFXWJFOUTCIU-IAGOWNOFSA-N 1 1 392.881 4.084 20 0 GIADMO Clc1cccc2c1ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629774 719065175 /nfs/dbraw/zinc/06/51/75/719065175.db2.gz YYYQOWDOQMXAGO-PXNSSMCTSA-N 1 1 378.907 4.384 20 0 GIADMO Cc1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(Cl)n1 ZINC001164629918 719071239 /nfs/dbraw/zinc/07/12/39/719071239.db2.gz ZYGVZAHCVKWQOX-IRXDYDNUSA-N 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ZINC001164693844 719804618 /nfs/dbraw/zinc/80/46/18/719804618.db2.gz VIPXGVYADDQDOY-UHFFFAOYSA-N 1 1 379.533 4.030 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)c(C)nc2Cl)CC3)cs1 ZINC001164692463 719808930 /nfs/dbraw/zinc/80/89/30/719808930.db2.gz HSJDTIMFXHCKSN-UHFFFAOYSA-N 1 1 391.972 4.147 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4cnccc4cc2C)CC3)cs1 ZINC001164691219 719815844 /nfs/dbraw/zinc/81/58/44/719815844.db2.gz BCKFBWFMKAPNAW-UHFFFAOYSA-N 1 1 393.560 4.338 20 0 GIADMO c1csc(C[N@H+]2CCOC3(CCN(c4nccc5ccccc54)CC3)C2)c1 ZINC001164695737 719887842 /nfs/dbraw/zinc/88/78/42/719887842.db2.gz UIBJYYCPOVMNII-UHFFFAOYSA-N 1 1 379.529 4.168 20 0 GIADMO Clc1ccnc(Cl)c1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695327 719891053 /nfs/dbraw/zinc/89/10/53/719891053.db2.gz NZVFERSUVNNVKI-UHFFFAOYSA-N 1 1 398.359 4.321 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164808604 720081057 /nfs/dbraw/zinc/08/10/57/720081057.db2.gz IIFFKEJIWFEENH-AVRDEDQJSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3cc(Cl)ccc31)C2 ZINC001164807879 720098042 /nfs/dbraw/zinc/09/80/42/720098042.db2.gz GIALZRRLUQTZMS-AVRDEDQJSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3cc(C)ccc31)C2 ZINC001164810641 720129269 /nfs/dbraw/zinc/12/92/69/720129269.db2.gz KMWIVBWFJBHSDR-JPYJTQIMSA-N 1 1 399.966 4.381 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3cc(C)ccc31)C2 ZINC001164810644 720129568 /nfs/dbraw/zinc/12/95/68/720129568.db2.gz KMWIVBWFJBHSDR-MBSDFSHPSA-N 1 1 399.966 4.381 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3ccc(C)cc31)C2 ZINC001164814381 720143449 /nfs/dbraw/zinc/14/34/49/720143449.db2.gz SDLUXIDKCOFLJA-AUSIDOKSSA-N 1 1 399.966 4.381 20 0 GIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730487 720342352 /nfs/dbraw/zinc/34/23/52/720342352.db2.gz ZSKQCOWLNXHQEH-HUUCEWRRSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730487 720342356 /nfs/dbraw/zinc/34/23/56/720342356.db2.gz ZSKQCOWLNXHQEH-HUUCEWRRSA-N 1 1 399.272 4.182 20 0 GIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726507 720397504 /nfs/dbraw/zinc/39/75/04/720397504.db2.gz OZWPVTBWJATUQZ-PMACEKPBSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1ccc(F)c2cc(C)c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164726513 720405447 /nfs/dbraw/zinc/40/54/47/720405447.db2.gz PAONMNVFOHQTCT-RTWAWAEBSA-N 1 1 376.479 4.239 20 0 GIADMO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)c1 ZINC001164729351 720449683 /nfs/dbraw/zinc/44/96/83/720449683.db2.gz HDJQKCHRYOJEAU-XZOQPEGZSA-N 1 1 385.515 4.009 20 0 GIADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)c1 ZINC001164729341 720450056 /nfs/dbraw/zinc/45/00/56/720450056.db2.gz HDJQKCHRYOJEAU-DHIUTWEWSA-N 1 1 385.515 4.009 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](O)[C@H]2Cc2ccccc2)nc1 ZINC001164832563 720494086 /nfs/dbraw/zinc/49/40/86/720494086.db2.gz JRUQWUXLEJBVLV-DNVJHFABSA-N 1 1 379.548 4.201 20 0 GIADMO Cc1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164838051 720541900 /nfs/dbraw/zinc/54/19/00/720541900.db2.gz NRBRDHILBLFUDO-MQSCRBSSSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1Cl ZINC001164838220 720676467 /nfs/dbraw/zinc/67/64/67/720676467.db2.gz GJSOLDRKUDAFSL-IBGZPJMESA-N 1 1 385.939 4.303 20 0 GIADMO Cc1c[nH]c2nc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc12 ZINC001164842738 720678814 /nfs/dbraw/zinc/67/88/14/720678814.db2.gz NAERKDXNTDWDRG-FQEVSTJZSA-N 1 1 390.531 4.131 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(C3CC3)n1)CC2 ZINC001164839568 720726087 /nfs/dbraw/zinc/72/60/87/720726087.db2.gz MAKRYSGRRVANMH-NRFANRHFSA-N 1 1 377.532 4.219 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCC[C@]3(COC)C2)nc1 ZINC001164847020 720829202 /nfs/dbraw/zinc/82/92/02/720829202.db2.gz HOYBMFAQRMOVDQ-MQSCRBSSSA-N 1 1 387.568 4.041 20 0 GIADMO Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c(Cl)cc1Cl ZINC001164856271 720994153 /nfs/dbraw/zinc/99/41/53/720994153.db2.gz AMEKOLDWBOYPGC-ZDUSSCGKSA-N 1 1 382.339 4.315 20 0 GIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(C)(C)c1ccnc(Cl)c1)[C@H]2C ZINC001164861020 721021501 /nfs/dbraw/zinc/02/15/01/721021501.db2.gz MUTKLWYEDHUBHS-HNNXBMFYSA-N 1 1 375.948 4.084 20 0 GIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164879387 721326326 /nfs/dbraw/zinc/32/63/26/721326326.db2.gz STJURYHXVKJNMM-UHFFFAOYSA-N 1 1 394.853 4.068 20 0 GIADMO Cc1ccc2nc(Cl)cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164783934 721403293 /nfs/dbraw/zinc/40/32/93/721403293.db2.gz IYEKBPLJMJWNJI-GASCZTMLSA-N 1 1 384.936 4.221 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164791154 721491306 /nfs/dbraw/zinc/49/13/06/721491306.db2.gz BPYRJPYLZGMNRS-UHFFFAOYSA-N 1 1 391.494 4.045 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(C)(C)C)ncn1)CC2 ZINC001164796816 721499814 /nfs/dbraw/zinc/49/98/14/721499814.db2.gz ZBVUWRCDKXUYDZ-UHFFFAOYSA-N 1 1 379.552 4.050 20 0 GIADMO Cc1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906180 721583744 /nfs/dbraw/zinc/58/37/44/721583744.db2.gz ZLBWKYMMBZMZHA-LJQANCHMSA-N 1 1 392.881 4.176 20 0 GIADMO Cc1ccc(Cl)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164907942 721749191 /nfs/dbraw/zinc/74/91/91/721749191.db2.gz DNYYPVAVMDAVMC-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1ccc(Cl)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164907942 721749203 /nfs/dbraw/zinc/74/92/03/721749203.db2.gz DNYYPVAVMDAVMC-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO CSc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(C)c1 ZINC001164910078 721760058 /nfs/dbraw/zinc/76/00/58/721760058.db2.gz LAODUATXYXQNRZ-UHFFFAOYSA-N 1 1 394.544 4.295 20 0 GIADMO CSc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(C)c1 ZINC001164910078 721760060 /nfs/dbraw/zinc/76/00/60/721760060.db2.gz LAODUATXYXQNRZ-UHFFFAOYSA-N 1 1 394.544 4.295 20 0 GIADMO Cc1cccc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165027652 721813954 /nfs/dbraw/zinc/81/39/54/721813954.db2.gz VKWKYRLWMQPCGY-DWLFOUALSA-N 1 1 387.531 4.070 20 0 GIADMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]12 ZINC001164945472 721968351 /nfs/dbraw/zinc/96/83/51/721968351.db2.gz LAPIUMLGOQKTIF-OFNKIYASSA-N 1 1 397.950 4.235 20 0 GIADMO Clc1nnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2sccc21 ZINC001164952158 722014341 /nfs/dbraw/zinc/01/43/41/722014341.db2.gz ICIDZBVZBACUNE-UHFFFAOYSA-N 1 1 399.951 4.232 20 0 GIADMO CCc1cc2c(ncnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)s1 ZINC001164953735 722016981 /nfs/dbraw/zinc/01/69/81/722016981.db2.gz XTCSWOPAOBPGDR-UHFFFAOYSA-N 1 1 393.560 4.141 20 0 GIADMO c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc(-c4ccncc4)cn2)CC3)c1 ZINC001164955468 722021165 /nfs/dbraw/zinc/02/11/65/722021165.db2.gz HYGFRTKKLJRTFC-UHFFFAOYSA-N 1 1 385.515 4.031 20 0 GIADMO Cc1ccc(N2C[C@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)CC2=O)s1 ZINC001164964961 722044649 /nfs/dbraw/zinc/04/46/49/722044649.db2.gz WKOSXJUPXJYPOL-HXUWFJFHSA-N 1 1 389.952 4.469 20 0 GIADMO C[N@@H+](Cc1ccc(N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164976090 722165771 /nfs/dbraw/zinc/16/57/71/722165771.db2.gz JOIRGHCJOLLRRT-VWNXMTODSA-N 1 1 399.579 4.011 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2nccc(Cl)n2)C3)c1 ZINC001164992618 722193655 /nfs/dbraw/zinc/19/36/55/722193655.db2.gz ABEVPBMKSZIYDB-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2nccc(Cl)n2)C3)c1 ZINC001164992618 722193656 /nfs/dbraw/zinc/19/36/56/722193656.db2.gz ABEVPBMKSZIYDB-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cnc(-c4ccco4)cn2)C3)c1 ZINC001164993666 722197835 /nfs/dbraw/zinc/19/78/35/722197835.db2.gz GZVKVBLVTQKKSE-QFIPXVFZSA-N 1 1 378.451 4.121 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)cnc2Cl)C3)c1 ZINC001164993983 722198415 /nfs/dbraw/zinc/19/84/15/722198415.db2.gz KEJXBCROPBBCCH-GOSISDBHSA-N 1 1 381.282 4.167 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)cnc2Cl)C3)c1 ZINC001164993983 722198418 /nfs/dbraw/zinc/19/84/18/722198418.db2.gz KEJXBCROPBBCCH-GOSISDBHSA-N 1 1 381.282 4.167 20 0 GIADMO COc1cc(Cl)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993643 722198424 /nfs/dbraw/zinc/19/84/24/722198424.db2.gz GJUCFXMKERIPGE-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO COc1cccc2cnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc21 ZINC001164997218 722201402 /nfs/dbraw/zinc/20/14/02/722201402.db2.gz XEWJSOYPSJRJAZ-QHCPKHFHSA-N 1 1 392.478 4.022 20 0 GIADMO Cc1cc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2s1 ZINC001164995695 722205997 /nfs/dbraw/zinc/20/59/97/722205997.db2.gz PLDVQOIJJHJMET-NRFANRHFSA-N 1 1 382.508 4.384 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000175815634 823046751 /nfs/dbraw/zinc/04/67/51/823046751.db2.gz AKUCXRGDCNKBPI-BBRMVZONSA-N 1 1 382.888 4.067 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(F)c(Cl)c1 ZINC000175815634 823046755 /nfs/dbraw/zinc/04/67/55/823046755.db2.gz AKUCXRGDCNKBPI-BBRMVZONSA-N 1 1 382.888 4.067 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000458501727 823048302 /nfs/dbraw/zinc/04/83/02/823048302.db2.gz LBXKJSKZYVRZNY-TXTKFYIRSA-N 1 1 394.563 4.003 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)Nc1cc(Cl)ccc1F ZINC000175828575 823049419 /nfs/dbraw/zinc/04/94/19/823049419.db2.gz BNSWXZZBYUFRCM-CZUORRHYSA-N 1 1 382.888 4.067 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)Nc1cc(Cl)ccc1F ZINC000175828575 823049423 /nfs/dbraw/zinc/04/94/23/823049423.db2.gz BNSWXZZBYUFRCM-CZUORRHYSA-N 1 1 382.888 4.067 20 0 GIADMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC000187359238 823049424 /nfs/dbraw/zinc/04/94/24/823049424.db2.gz AYMALUKEXLYAJY-HOTGVXAUSA-N 1 1 377.834 4.111 20 0 GIADMO COc1cc(-c2nc(C[N@@H+](C)CC3(O)CCCCCC3)cs2)ccc1O ZINC000187361869 823049593 /nfs/dbraw/zinc/04/95/93/823049593.db2.gz JQQGFRNGXCFPAE-UHFFFAOYSA-N 1 1 376.522 4.041 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000570530271 823050456 /nfs/dbraw/zinc/05/04/56/823050456.db2.gz CKJDJYJECQTEMR-CQSZACIVSA-N 1 1 394.441 4.441 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](OCC)[C@H](C)C2)c1 ZINC000458545351 823053634 /nfs/dbraw/zinc/05/36/34/823053634.db2.gz PMKKLEWNYHEQHW-KNQAVFIVSA-N 1 1 389.584 4.265 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)NCc1ccc2sccc2c1)[NH+](C)C ZINC000570561541 823055275 /nfs/dbraw/zinc/05/52/75/823055275.db2.gz UUJZQXJBBWGFNF-GOSISDBHSA-N 1 1 383.517 4.012 20 0 GIADMO O=C(Nc1nc2cc(F)ccc2[nH]1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000570575982 823056624 /nfs/dbraw/zinc/05/66/24/823056624.db2.gz HUNRVWDPXGWLPO-AWEZNQCLSA-N 1 1 381.455 4.147 20 0 GIADMO Brc1cccc(NC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000570581827 823057134 /nfs/dbraw/zinc/05/71/34/823057134.db2.gz PCIQKHVEHGGSMX-UHFFFAOYSA-N 1 1 385.309 4.402 20 0 GIADMO Cc1ccccc1-c1noc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000055869982 823057588 /nfs/dbraw/zinc/05/75/88/823057588.db2.gz UZBBIIAJNFIHDO-QZTJIDSGSA-N 1 1 392.503 4.266 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NCc2nc(-c3ccsc3)no2)C[C@H](C)O1 ZINC000055869991 823057681 /nfs/dbraw/zinc/05/76/81/823057681.db2.gz JMUHDZONQKWBLX-GJZGRUSLSA-N 1 1 384.505 4.019 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)[C@H](C)C1 ZINC000120783109 823063223 /nfs/dbraw/zinc/06/32/23/823063223.db2.gz WORLPIQTPRELEF-APWZRJJASA-N 1 1 388.556 4.174 20 0 GIADMO CN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)C1c2ccccc2-c2ccccc21 ZINC000175876454 823061771 /nfs/dbraw/zinc/06/17/71/823061771.db2.gz MWVNOMFZOARKCI-HXUWFJFHSA-N 1 1 375.472 4.294 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000120791885 823064999 /nfs/dbraw/zinc/06/49/99/823064999.db2.gz XCFGYJVWQJXECS-LJQANCHMSA-N 1 1 390.531 4.444 20 0 GIADMO C[C@@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458621826 823065056 /nfs/dbraw/zinc/06/50/56/823065056.db2.gz AYBUMKIGMLGMNI-NVXWUHKLSA-N 1 1 379.495 4.251 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC[N@H+]1C ZINC000175893365 823065461 /nfs/dbraw/zinc/06/54/61/823065461.db2.gz CNLDRCRZUGIEQE-LPHOPBHVSA-N 1 1 384.549 4.320 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)NC2(C3(C)CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458628733 823066518 /nfs/dbraw/zinc/06/65/18/823066518.db2.gz WSUOCSXBAOCTMW-PBHICJAKSA-N 1 1 379.907 4.104 20 0 GIADMO COc1cc(C[N@@H+](C)CCc2ccccn2)cc(OC)c1OCc1ccccc1 ZINC000120800159 823066610 /nfs/dbraw/zinc/06/66/10/823066610.db2.gz CXWLJENREQNDDP-UHFFFAOYSA-N 1 1 392.499 4.352 20 0 GIADMO C[C@@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458630173 823066751 /nfs/dbraw/zinc/06/67/51/823066751.db2.gz KHVGWTIYDIMSNL-WBVHZDCISA-N 1 1 375.944 4.102 20 0 GIADMO COc1ccc2nc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)sc2c1 ZINC000187462807 823068011 /nfs/dbraw/zinc/06/80/11/823068011.db2.gz SLOQRRZDRXOWPD-UHFFFAOYSA-N 1 1 396.438 4.357 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+](C)Cc3nc4ccccc4s3)cc2)no1 ZINC000120802346 823067168 /nfs/dbraw/zinc/06/71/68/823067168.db2.gz SVWAFERZJIHJIF-UHFFFAOYSA-N 1 1 380.473 4.199 20 0 GIADMO Cc1nc(COc2ccc(C[N@@H+](C)Cc3nc4ccccc4s3)cc2)no1 ZINC000120802346 823067174 /nfs/dbraw/zinc/06/71/74/823067174.db2.gz SVWAFERZJIHJIF-UHFFFAOYSA-N 1 1 380.473 4.199 20 0 GIADMO Cc1csc([C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C2CC2)n1 ZINC000175900334 823067496 /nfs/dbraw/zinc/06/74/96/823067496.db2.gz XYCYTLNPYYIQMN-GOSISDBHSA-N 1 1 399.495 4.035 20 0 GIADMO COc1ccc2nc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)sc2c1 ZINC000187469923 823069411 /nfs/dbraw/zinc/06/94/11/823069411.db2.gz DEEJIASRDJPDPX-LBPRGKRZSA-N 1 1 396.438 4.357 20 0 GIADMO COc1ccc2nc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)sc2c1 ZINC000187469923 823069414 /nfs/dbraw/zinc/06/94/14/823069414.db2.gz DEEJIASRDJPDPX-LBPRGKRZSA-N 1 1 396.438 4.357 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CC[C@@H]1C1CC1 ZINC000458650549 823069853 /nfs/dbraw/zinc/06/98/53/823069853.db2.gz MJLLVMNXXRNHLF-GOSISDBHSA-N 1 1 382.335 4.152 20 0 GIADMO FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)n2)c1 ZINC000570679256 823071278 /nfs/dbraw/zinc/07/12/78/823071278.db2.gz QTDVRKLHXPYTPH-GDBMZVCRSA-N 1 1 381.398 4.146 20 0 GIADMO C[C@H](O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000120853035 823076828 /nfs/dbraw/zinc/07/68/28/823076828.db2.gz FWTPBYAMXKUYOT-BZSNNMDCSA-N 1 1 384.545 4.258 20 0 GIADMO C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000120853035 823076830 /nfs/dbraw/zinc/07/68/30/823076830.db2.gz FWTPBYAMXKUYOT-BZSNNMDCSA-N 1 1 384.545 4.258 20 0 GIADMO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000120839912 823074618 /nfs/dbraw/zinc/07/46/18/823074618.db2.gz RGPHNTFDPPWTJZ-WMZHIEFXSA-N 1 1 377.532 4.301 20 0 GIADMO CCOCc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000175929901 823075541 /nfs/dbraw/zinc/07/55/41/823075541.db2.gz GXPXOPPVOUMMKQ-PXNSSMCTSA-N 1 1 387.549 4.489 20 0 GIADMO CC(C)[C@@H](CC(F)(F)F)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000458698664 823075788 /nfs/dbraw/zinc/07/57/88/823075788.db2.gz WJIQAZVTZTUBLN-FUHWJXTLSA-N 1 1 385.474 4.127 20 0 GIADMO COc1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC(C)C ZINC000187512872 823078432 /nfs/dbraw/zinc/07/84/32/823078432.db2.gz LPSRUAOZBBLCSW-QFIPXVFZSA-N 1 1 383.467 4.234 20 0 GIADMO CN(C(=O)c1ccccc1N1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570755960 823081610 /nfs/dbraw/zinc/08/16/10/823081610.db2.gz LHKHMPLSGHTBLG-NRFANRHFSA-N 1 1 377.532 4.023 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000056012333 823078871 /nfs/dbraw/zinc/07/88/71/823078871.db2.gz BMCCTPWKHSXCQI-ZDUSSCGKSA-N 1 1 380.414 4.066 20 0 GIADMO Cc1ccc([C@@H](CNC(=O)CCc2nc3cccc(C)c3[nH]2)[NH+]2CCCC2)cc1 ZINC000175947471 823079591 /nfs/dbraw/zinc/07/95/91/823079591.db2.gz WBQBZZOVTRPQBM-OAQYLSRUSA-N 1 1 390.531 4.066 20 0 GIADMO CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000570743951 823079749 /nfs/dbraw/zinc/07/97/49/823079749.db2.gz VCYMKDFRCDOYOS-GBXCKJPGSA-N 1 1 393.575 4.239 20 0 GIADMO CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000570743951 823079754 /nfs/dbraw/zinc/07/97/54/823079754.db2.gz VCYMKDFRCDOYOS-GBXCKJPGSA-N 1 1 393.575 4.239 20 0 GIADMO COc1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc(Cl)c1OC ZINC000187520268 823080158 /nfs/dbraw/zinc/08/01/58/823080158.db2.gz VPMFNKTWNNYVKX-IBGZPJMESA-N 1 1 389.858 4.109 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NCC2CCC(C(F)(F)F)CC2)CC1 ZINC000187524353 823081324 /nfs/dbraw/zinc/08/13/24/823081324.db2.gz UMTKWUQYKIVZLB-UHFFFAOYSA-N 1 1 397.485 4.131 20 0 GIADMO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000120885714 823082115 /nfs/dbraw/zinc/08/21/15/823082115.db2.gz AIHZEDUHZHPORE-MRXNPFEDSA-N 1 1 379.508 4.055 20 0 GIADMO 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QNQWXFVWEUXNHZ-MRXNPFEDSA-N 1 1 387.890 4.135 20 0 GIADMO Cc1ccc(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)nc1C ZINC000459226591 823148080 /nfs/dbraw/zinc/14/80/80/823148080.db2.gz ZRQCMKGBVGCUTC-UHFFFAOYSA-N 1 1 377.492 4.388 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2sccc2OC(F)F)cc1 ZINC000176186770 823148189 /nfs/dbraw/zinc/14/81/89/823148189.db2.gz OODPRNMDWDHSPR-NSHDSACASA-N 1 1 377.416 4.335 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)cc1 ZINC000176187683 823148193 /nfs/dbraw/zinc/14/81/93/823148193.db2.gz RHDLFKJRNLXWRX-UONOGXRCSA-N 1 1 385.414 4.104 20 0 GIADMO CCOCc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)ccc1OC ZINC000571207559 823148665 /nfs/dbraw/zinc/14/86/65/823148665.db2.gz BYUXTRDATAYVPM-DNVJHFABSA-N 1 1 381.516 4.236 20 0 GIADMO COc1ccc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)cc1Cl ZINC000121271233 823152194 /nfs/dbraw/zinc/15/21/94/823152194.db2.gz CCQUUJRLDGPHNK-UHFFFAOYSA-N 1 1 378.925 4.113 20 0 GIADMO Cc1cnn(-c2ccc(C)cc2NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000571236628 823153122 /nfs/dbraw/zinc/15/31/22/823153122.db2.gz HWBYLXKBBCWBEP-RTBURBONSA-N 1 1 395.551 4.264 20 0 GIADMO C[C@H](c1ccccc1)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056453773 823153502 /nfs/dbraw/zinc/15/35/02/823153502.db2.gz DTJQEMJKVZBXJG-MRXNPFEDSA-N 1 1 387.474 4.332 20 0 GIADMO CC(=O)NC[C@@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459287688 823156382 /nfs/dbraw/zinc/15/63/82/823156382.db2.gz ZMJLKPLWXCNQRM-LKYAVPRHSA-N 1 1 378.516 4.127 20 0 GIADMO COc1ccc(CC[N@H+](CC(=O)Nc2cccc(C)c2C)CC(C)C)cc1OC ZINC000571237109 823153488 /nfs/dbraw/zinc/15/34/88/823153488.db2.gz GYCAGIRTHBFCMJ-UHFFFAOYSA-N 1 1 398.547 4.460 20 0 GIADMO CCN(Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056453865 823153525 /nfs/dbraw/zinc/15/35/25/823153525.db2.gz COYXRSRJHLNPJR-UHFFFAOYSA-N 1 1 387.474 4.161 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccccc2CN2CCc3ccccc32)C1 ZINC000459265070 823153695 /nfs/dbraw/zinc/15/36/95/823153695.db2.gz NOMDXUWLVQUZIE-IBGZPJMESA-N 1 1 392.547 4.103 20 0 GIADMO CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459268257 823154120 /nfs/dbraw/zinc/15/41/20/823154120.db2.gz RZYTWTOJMUVGBV-LJQANCHMSA-N 1 1 380.536 4.012 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@@H](COC(F)F)C2)cc1OCc1ccccc1 ZINC000571245978 823155015 /nfs/dbraw/zinc/15/50/15/823155015.db2.gz FOAOUCOZJGDGTK-GOSISDBHSA-N 1 1 377.431 4.335 20 0 GIADMO O=C(NC1CCC(C(F)F)CC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000459287588 823156561 /nfs/dbraw/zinc/15/65/61/823156561.db2.gz SMCJQRDAHSRQPC-OBFZPWGMSA-N 1 1 391.506 4.118 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(OCc2cccnc2)c1 ZINC000571274582 823159285 /nfs/dbraw/zinc/15/92/85/823159285.db2.gz IIEXQKFIJOVZHZ-JOCHJYFZSA-N 1 1 382.504 4.060 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000176237439 823160221 /nfs/dbraw/zinc/16/02/21/823160221.db2.gz OSBKCLBXLYGJTB-SFHVURJKSA-N 1 1 389.902 4.143 20 0 GIADMO Cc1cc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)ccc1NC(=O)CC(C)C ZINC000176238545 823160508 /nfs/dbraw/zinc/16/05/08/823160508.db2.gz YNYJTFZQUCSLQY-UHFFFAOYSA-N 1 1 385.552 4.070 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)C1 ZINC000459325432 823161744 /nfs/dbraw/zinc/16/17/44/823161744.db2.gz WLVFPHMAIXRNQL-SFHVURJKSA-N 1 1 397.588 4.159 20 0 GIADMO CCCCCC(=O)NC1CC[NH+](Cc2cc(Cl)c(O)c(OCC)c2)CC1 ZINC000459331569 823162786 /nfs/dbraw/zinc/16/27/86/823162786.db2.gz VXERAGSDIFAIEZ-UHFFFAOYSA-N 1 1 382.932 4.105 20 0 GIADMO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc(Br)c1 ZINC000459338041 823164539 /nfs/dbraw/zinc/16/45/39/823164539.db2.gz FBFMDLPMSPENJD-OAQYLSRUSA-N 1 1 386.742 4.472 20 0 GIADMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc(Br)c1 ZINC000459338041 823164541 /nfs/dbraw/zinc/16/45/41/823164541.db2.gz FBFMDLPMSPENJD-OAQYLSRUSA-N 1 1 386.742 4.472 20 0 GIADMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CC3CCC(F)(F)CC3)CC2)cs1 ZINC000459341591 823165450 /nfs/dbraw/zinc/16/54/50/823165450.db2.gz KBHXSEQGKOXSFV-HNNXBMFYSA-N 1 1 387.540 4.184 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(OC(F)F)c(F)c1 ZINC000571327762 823165920 /nfs/dbraw/zinc/16/59/20/823165920.db2.gz FPVZHZMUBFJMKB-GOSISDBHSA-N 1 1 393.453 4.309 20 0 GIADMO COc1ccc(-c2nnc(C[N@H+](Cc3ccc(F)cc3)C3CCOCC3)o2)cc1 ZINC000571336160 823167101 /nfs/dbraw/zinc/16/71/01/823167101.db2.gz JVYJJRZQNHFPOZ-UHFFFAOYSA-N 1 1 397.450 4.066 20 0 GIADMO COc1ccc(-c2nnc(C[N@@H+](Cc3ccc(F)cc3)C3CCOCC3)o2)cc1 ZINC000571336160 823167104 /nfs/dbraw/zinc/16/71/04/823167104.db2.gz JVYJJRZQNHFPOZ-UHFFFAOYSA-N 1 1 397.450 4.066 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCCCCn1ccnc1)C1CCCCC1 ZINC000056550325 823167265 /nfs/dbraw/zinc/16/72/65/823167265.db2.gz FMWUUMPFINMCAZ-UHFFFAOYSA-N 1 1 383.540 4.250 20 0 GIADMO CCN(c1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1)C(C)C ZINC000056546904 823166469 /nfs/dbraw/zinc/16/64/69/823166469.db2.gz UDWBBHXSLDTZCA-UHFFFAOYSA-N 1 1 392.507 4.132 20 0 GIADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188021121 823173135 /nfs/dbraw/zinc/17/31/35/823173135.db2.gz VDGDOFGYJGMBQS-WMZOPIPTSA-N 1 1 382.470 4.217 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000459372105 823175066 /nfs/dbraw/zinc/17/50/66/823175066.db2.gz SCBSOWCDIQAHEW-UHFFFAOYSA-N 1 1 382.533 4.026 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000459371753 823175112 /nfs/dbraw/zinc/17/51/12/823175112.db2.gz IQURPTPNHRXQMV-QGZVFWFLSA-N 1 1 384.549 4.227 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)NCC[C@@H](C)CC(C)(C)C)CC2)oc1C ZINC000188044351 823176636 /nfs/dbraw/zinc/17/66/36/823176636.db2.gz AKIQZYWZJCYNRT-MRXNPFEDSA-N 1 1 392.588 4.265 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459377532 823176896 /nfs/dbraw/zinc/17/68/96/823176896.db2.gz OZWDVZYIYUAFNU-IBGZPJMESA-N 1 1 381.568 4.224 20 0 GIADMO COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000571408972 823178837 /nfs/dbraw/zinc/17/88/37/823178837.db2.gz DVCQKHZWJQTJFC-OXQOHEQNSA-N 1 1 389.499 4.307 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)c2ncc[nH]2)cc1 ZINC000188064187 823180490 /nfs/dbraw/zinc/18/04/90/823180490.db2.gz KGSYQEDOMXKQAQ-HNNXBMFYSA-N 1 1 380.254 4.042 20 0 GIADMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c(C)n1Cc1ccco1 ZINC000176323074 823181935 /nfs/dbraw/zinc/18/19/35/823181935.db2.gz PHKQHRIZLVKFAZ-KRWDZBQOSA-N 1 1 383.517 4.265 20 0 GIADMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)c(C)n1Cc1ccco1 ZINC000176323074 823181938 /nfs/dbraw/zinc/18/19/38/823181938.db2.gz PHKQHRIZLVKFAZ-KRWDZBQOSA-N 1 1 383.517 4.265 20 0 GIADMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000176323945 823182142 /nfs/dbraw/zinc/18/21/42/823182142.db2.gz VBOWSYGSYHLIMD-LLVKDONJSA-N 1 1 398.347 4.021 20 0 GIADMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000176323945 823182144 /nfs/dbraw/zinc/18/21/44/823182144.db2.gz VBOWSYGSYHLIMD-LLVKDONJSA-N 1 1 398.347 4.021 20 0 GIADMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)C1 ZINC000176325865 823182394 /nfs/dbraw/zinc/18/23/94/823182394.db2.gz CCMVBMRANYSSAX-CQSZACIVSA-N 1 1 393.940 4.069 20 0 GIADMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)C1 ZINC000176325865 823182396 /nfs/dbraw/zinc/18/23/96/823182396.db2.gz CCMVBMRANYSSAX-CQSZACIVSA-N 1 1 393.940 4.069 20 0 GIADMO O=C(CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1)Nc1ccccc1F ZINC000176327605 823182844 /nfs/dbraw/zinc/18/28/44/823182844.db2.gz RBWCWQBKWRRJSR-OAQYLSRUSA-N 1 1 398.503 4.452 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000459400988 823184188 /nfs/dbraw/zinc/18/41/88/823184188.db2.gz CWXYCHGTASOUOL-RTBURBONSA-N 1 1 396.535 4.008 20 0 GIADMO CCO[C@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000121445952 823186123 /nfs/dbraw/zinc/18/61/23/823186123.db2.gz UJNVJYJZSXGADH-SVMVAKDDSA-N 1 1 382.504 4.012 20 0 GIADMO CCO[C@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccccc1 ZINC000121445952 823186127 /nfs/dbraw/zinc/18/61/27/823186127.db2.gz UJNVJYJZSXGADH-SVMVAKDDSA-N 1 1 382.504 4.012 20 0 GIADMO O=c1cc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)nc(C2CC2)[nH]1 ZINC000459410127 823186620 /nfs/dbraw/zinc/18/66/20/823186620.db2.gz NOIPGPYRNTWTJI-LJQANCHMSA-N 1 1 380.879 4.182 20 0 GIADMO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1sccc1Br ZINC000571468873 823187340 /nfs/dbraw/zinc/18/73/40/823187340.db2.gz WYKSZAUOKPHJFX-WFASDCNBSA-N 1 1 381.339 4.381 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000459418424 823188214 /nfs/dbraw/zinc/18/82/14/823188214.db2.gz ADDUBCUPKZLFRF-GFCCVEGCSA-N 1 1 375.460 4.036 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc(F)c(F)c(F)c3F)c2)C[C@H](C)O1 ZINC000121463757 823189222 /nfs/dbraw/zinc/18/92/22/823189222.db2.gz MANDWJNIFKGAHY-TXEJJXNPSA-N 1 1 396.384 4.105 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc(F)c(F)c(F)c3F)c2)C[C@H](C)O1 ZINC000121463757 823189227 /nfs/dbraw/zinc/18/92/27/823189227.db2.gz MANDWJNIFKGAHY-TXEJJXNPSA-N 1 1 396.384 4.105 20 0 GIADMO C[C@H]1CN(c2ccccc2C[NH2+]Cc2sccc2Br)CCO1 ZINC000459427358 823190295 /nfs/dbraw/zinc/19/02/95/823190295.db2.gz NERUYVOPAKUNKA-ZDUSSCGKSA-N 1 1 381.339 4.026 20 0 GIADMO Cc1cc(CNC(=O)Nc2cccc(COC(C)C)c2)cc(N2CCCC2)[nH+]1 ZINC000571486181 823190283 /nfs/dbraw/zinc/19/02/83/823190283.db2.gz STOKUUCBEAPEST-UHFFFAOYSA-N 1 1 382.508 4.237 20 0 GIADMO FC(F)Oc1ccc(Br)cc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459433890 823191260 /nfs/dbraw/zinc/19/12/60/823191260.db2.gz TZWPZYYKUCDJSH-UHFFFAOYSA-N 1 1 384.224 4.008 20 0 GIADMO CCN(Cc1c[nH]c2ccccc12)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000188134904 823191774 /nfs/dbraw/zinc/19/17/74/823191774.db2.gz WCYMSWMOFAQSSO-UHFFFAOYSA-N 1 1 391.519 4.072 20 0 GIADMO C[N@H+]1CCC[C@@H](CNCc2cccc(O)c2Br)[C@@H]1c1cccs1 ZINC000459441447 823192719 /nfs/dbraw/zinc/19/27/19/823192719.db2.gz VZSLTQWYRVNUCI-KBXCAEBGSA-N 1 1 395.366 4.389 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccc(NCc3c(F)cc(C)cc3Cl)cc2)CC1 ZINC000459452207 823194925 /nfs/dbraw/zinc/19/49/25/823194925.db2.gz BOJFWMFTFRVZMV-UHFFFAOYSA-N 1 1 389.902 4.064 20 0 GIADMO COc1ccccc1[C@H](C)CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000121505834 823196579 /nfs/dbraw/zinc/19/65/79/823196579.db2.gz RPRAZPJHCALBRK-QRVBRYPASA-N 1 1 396.531 4.437 20 0 GIADMO COc1ccccc1[C@H](C)CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000121505834 823196582 /nfs/dbraw/zinc/19/65/82/823196582.db2.gz RPRAZPJHCALBRK-QRVBRYPASA-N 1 1 396.531 4.437 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000571532055 823196816 /nfs/dbraw/zinc/19/68/16/823196816.db2.gz PLWTUIMUDOUXPB-AZUAARDMSA-N 1 1 387.483 4.439 20 0 GIADMO C[C@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)CCN3)C[N@H+]1Cc1ccccc1 ZINC000571533636 823197268 /nfs/dbraw/zinc/19/72/68/823197268.db2.gz AJCFDCRZTZCQBX-PKOBYXMFSA-N 1 1 378.520 4.077 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+][C@@H](c2nc3ccccc3n2C)c2ccccc2)[C@@H]1SC ZINC000459467499 823198590 /nfs/dbraw/zinc/19/85/90/823198590.db2.gz PXPUNDVPXTUUCL-KCLUMXDGSA-N 1 1 381.545 4.161 20 0 GIADMO Clc1cc(Br)cc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000459467033 823198673 /nfs/dbraw/zinc/19/86/73/823198673.db2.gz QFBMYVVADRXMAN-LBPRGKRZSA-N 1 1 382.689 4.352 20 0 GIADMO Clc1cc(Br)cc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000459467033 823198675 /nfs/dbraw/zinc/19/86/75/823198675.db2.gz QFBMYVVADRXMAN-LBPRGKRZSA-N 1 1 382.689 4.352 20 0 GIADMO Cc1cc(C[NH2+]CCOc2c(Cl)cc(Br)cc2Cl)no1 ZINC000459473326 823199551 /nfs/dbraw/zinc/19/95/51/823199551.db2.gz WLPIWTFBURRQNV-UHFFFAOYSA-N 1 1 380.069 4.221 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000056729707 823201568 /nfs/dbraw/zinc/20/15/68/823201568.db2.gz VOTXWMVZXOWWFY-INIZCTEOSA-N 1 1 387.474 4.085 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CCO1 ZINC000459482247 823201764 /nfs/dbraw/zinc/20/17/64/823201764.db2.gz LNULBVHDTJUIGZ-XANCMCCPSA-N 1 1 398.522 4.403 20 0 GIADMO Cc1ccc(C[N@@H+](CCO)Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459485862 823202289 /nfs/dbraw/zinc/20/22/89/823202289.db2.gz RESZFTZUNZLDHU-UHFFFAOYSA-N 1 1 390.531 4.363 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000459491235 823203201 /nfs/dbraw/zinc/20/32/01/823203201.db2.gz URHNLYZJMBCNJS-RXVVDRJESA-N 1 1 395.576 4.101 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000459491235 823203203 /nfs/dbraw/zinc/20/32/03/823203203.db2.gz URHNLYZJMBCNJS-RXVVDRJESA-N 1 1 395.576 4.101 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000459491235 823203207 /nfs/dbraw/zinc/20/32/07/823203207.db2.gz URHNLYZJMBCNJS-RXVVDRJESA-N 1 1 395.576 4.101 20 0 GIADMO C[C@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000571589462 823204400 /nfs/dbraw/zinc/20/44/00/823204400.db2.gz JANPMKGLCBSILX-MSOLQXFVSA-N 1 1 377.532 4.102 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)CCc1ccncc1 ZINC000121557700 823205382 /nfs/dbraw/zinc/20/53/82/823205382.db2.gz QXQRLDYHJKUIJL-GFCCVEGCSA-N 1 1 385.817 4.255 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000056762646 823208735 /nfs/dbraw/zinc/20/87/35/823208735.db2.gz XHQAHTVNMJYALT-MRXNPFEDSA-N 1 1 387.911 4.097 20 0 GIADMO Fc1ccc2c(c1)onc2C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459515037 823208875 /nfs/dbraw/zinc/20/88/75/823208875.db2.gz DCOIZBVALHAYFF-HXUWFJFHSA-N 1 1 379.479 4.421 20 0 GIADMO Fc1ccc2c(c1)onc2C1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000459515037 823208878 /nfs/dbraw/zinc/20/88/78/823208878.db2.gz DCOIZBVALHAYFF-HXUWFJFHSA-N 1 1 379.479 4.421 20 0 GIADMO CCOc1cc(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)cc(Cl)c1O ZINC000459517843 823209513 /nfs/dbraw/zinc/20/95/13/823209513.db2.gz DTKWHBOHHVBDMR-UHFFFAOYSA-N 1 1 389.923 4.322 20 0 GIADMO Cc1ncc(CN2CC[N@H+](Cc3cnc(C)s3)C[C@H]2c2ccccc2)s1 ZINC000459521476 823210377 /nfs/dbraw/zinc/21/03/77/823210377.db2.gz UDPIYTDOPOVUDX-FQEVSTJZSA-N 1 1 384.574 4.276 20 0 GIADMO Cc1ncc(CN2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2c2ccccc2)s1 ZINC000459521476 823210382 /nfs/dbraw/zinc/21/03/82/823210382.db2.gz UDPIYTDOPOVUDX-FQEVSTJZSA-N 1 1 384.574 4.276 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000459523836 823210948 /nfs/dbraw/zinc/21/09/48/823210948.db2.gz VSQZATBBSMUBOM-UHFFFAOYSA-N 1 1 378.516 4.115 20 0 GIADMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCc1ccncc1 ZINC000121587449 823211710 /nfs/dbraw/zinc/21/17/10/823211710.db2.gz JBQYJGBWRHYPNR-ZDUSSCGKSA-N 1 1 376.382 4.386 20 0 GIADMO CCOc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc(Br)c1O ZINC000459527662 823211925 /nfs/dbraw/zinc/21/19/25/823211925.db2.gz NKPXLLROUYJRKB-KOLCDFICSA-N 1 1 382.220 4.326 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc(Br)c1O ZINC000459527662 823211929 /nfs/dbraw/zinc/21/19/29/823211929.db2.gz NKPXLLROUYJRKB-KOLCDFICSA-N 1 1 382.220 4.326 20 0 GIADMO C[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000188282673 823214191 /nfs/dbraw/zinc/21/41/91/823214191.db2.gz ZZROGDKBGSSCRM-RDTXWAMCSA-N 1 1 377.423 4.082 20 0 GIADMO C[C@@H](CCNC(=O)Nc1ccc(-c2nncs2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000459536619 823214494 /nfs/dbraw/zinc/21/44/94/823214494.db2.gz QJGKCRBTOGUSRK-INIZCTEOSA-N 1 1 395.532 4.237 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[N@H+]1C1CC1 ZINC000188301175 823216470 /nfs/dbraw/zinc/21/64/70/823216470.db2.gz FCRFJYSDNFDCOK-QWHCGFSZSA-N 1 1 394.393 4.200 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCOc2ccc(Cl)cc2)cc1F ZINC000409455261 823223022 /nfs/dbraw/zinc/22/30/22/823223022.db2.gz GNHCVZXDWFRYCD-UHFFFAOYSA-N 1 1 387.842 4.059 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CCO1 ZINC000459564544 823221300 /nfs/dbraw/zinc/22/13/00/823221300.db2.gz FPWRPXUAYBJWMM-DYVFJYSZSA-N 1 1 376.422 4.106 20 0 GIADMO CN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000571699264 823221317 /nfs/dbraw/zinc/22/13/17/823221317.db2.gz PRAXONOCOPECGL-OAQYLSRUSA-N 1 1 383.511 4.269 20 0 GIADMO COCCc1cc[nH+]c(NCc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459551404 823218537 /nfs/dbraw/zinc/21/85/37/823218537.db2.gz VXIQWSIWUKFGNK-UHFFFAOYSA-N 1 1 377.492 4.256 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000409460485 823224304 /nfs/dbraw/zinc/22/43/04/823224304.db2.gz SXJZVLGIAURUNB-VQIMIIECSA-N 1 1 394.906 4.091 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2csc(-c3cccs3)n2)cc1F ZINC000409461479 823224888 /nfs/dbraw/zinc/22/48/88/823224888.db2.gz ZYHRZSFTAULGEV-UHFFFAOYSA-N 1 1 398.488 4.435 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)c1ccccc1Br ZINC000409462713 823225194 /nfs/dbraw/zinc/22/51/94/823225194.db2.gz HMOHLTJMUPSACB-MRXNPFEDSA-N 1 1 395.385 4.498 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409462212 823225257 /nfs/dbraw/zinc/22/52/57/823225257.db2.gz DMDMDGSJPXPHDU-MDYRTPRTSA-N 1 1 396.934 4.328 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000409463165 823225438 /nfs/dbraw/zinc/22/54/38/823225438.db2.gz CZRQOXKMCOEXOE-FPOVZHCZSA-N 1 1 397.563 4.252 20 0 GIADMO CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000056867073 823225715 /nfs/dbraw/zinc/22/57/15/823225715.db2.gz BGCPDMVZHCVYDO-GOSISDBHSA-N 1 1 375.557 4.297 20 0 GIADMO Cc1cc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(N2CCCC2)[nH+]1 ZINC000571728576 823226203 /nfs/dbraw/zinc/22/62/03/823226203.db2.gz LWWKHWRENZNUDV-UHFFFAOYSA-N 1 1 388.515 4.280 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000409471253 823228350 /nfs/dbraw/zinc/22/83/50/823228350.db2.gz QGPSOXDTZYWLLN-UHFFFAOYSA-N 1 1 393.531 4.407 20 0 GIADMO Oc1ccc(Br)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000124615950 823611246 /nfs/dbraw/zinc/61/12/46/823611246.db2.gz AQGXWTLTPQYSDC-IBGZPJMESA-N 1 1 376.294 4.100 20 0 GIADMO CC(C)([NH2+]Cc1cccc(OCc2ccccn2)c1)c1cn(-c2ccccc2)nn1 ZINC000176531345 823230418 /nfs/dbraw/zinc/23/04/18/823230418.db2.gz KEJWIWSWUKHOQC-UHFFFAOYSA-N 1 1 399.498 4.266 20 0 GIADMO CC(C)[C@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000571755339 823230536 /nfs/dbraw/zinc/23/05/36/823230536.db2.gz YIJZJXCPSVUBFP-KRWDZBQOSA-N 1 1 382.339 4.065 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000121698856 823232932 /nfs/dbraw/zinc/23/29/32/823232932.db2.gz MSYINXFMBPCEBJ-QFIPXVFZSA-N 1 1 387.568 4.300 20 0 GIADMO CC(C)[C@@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000571755340 823230681 /nfs/dbraw/zinc/23/06/81/823230681.db2.gz YIJZJXCPSVUBFP-QGZVFWFLSA-N 1 1 382.339 4.065 20 0 GIADMO C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccccc2)cs1 ZINC000176541724 823232963 /nfs/dbraw/zinc/23/29/63/823232963.db2.gz VGLCEPRNDAVDNO-CCNLRDMRSA-N 1 1 384.549 4.186 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H]2CCCc3ccccc32)cc1F ZINC000409482081 823231167 /nfs/dbraw/zinc/23/11/67/823231167.db2.gz CPXLZJGQLASDKE-IBGZPJMESA-N 1 1 377.463 4.446 20 0 GIADMO CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1=O ZINC000056908353 823231287 /nfs/dbraw/zinc/23/12/87/823231287.db2.gz BTAGDCWBQLQUKO-IEBWSBKVSA-N 1 1 396.535 4.030 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000459633109 823233352 /nfs/dbraw/zinc/23/33/52/823233352.db2.gz KLSOOPMGMLBCJE-QWRGUYRKSA-N 1 1 383.439 4.328 20 0 GIADMO CN(CC(F)(F)F)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000409491048 823233494 /nfs/dbraw/zinc/23/34/94/823233494.db2.gz MBKHVIGVVFUIQL-UHFFFAOYSA-N 1 1 398.256 4.162 20 0 GIADMO Clc1cccc(-c2nnc(C[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)o2)c1 ZINC000571785181 823233943 /nfs/dbraw/zinc/23/39/43/823233943.db2.gz IODBZNZAVSKCRY-AABGKKOBSA-N 1 1 395.890 4.395 20 0 GIADMO COc1ccc(Cn2nc(C)c(C[NH+]3CC(C)(CC(F)(F)F)C3)c2C)cc1 ZINC000459639501 823235333 /nfs/dbraw/zinc/23/53/33/823235333.db2.gz OHZKYBUUYZSOMU-UHFFFAOYSA-N 1 1 381.442 4.331 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1OC ZINC000459642316 823235894 /nfs/dbraw/zinc/23/58/94/823235894.db2.gz BKWHXUKGYBLQAK-QGZVFWFLSA-N 1 1 387.442 4.193 20 0 GIADMO Cc1ccccc1-n1nccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646954 823237785 /nfs/dbraw/zinc/23/77/85/823237785.db2.gz IZUPIQSGGDHXTA-IBGZPJMESA-N 1 1 393.453 4.362 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1SC ZINC000459647553 823238128 /nfs/dbraw/zinc/23/81/28/823238128.db2.gz ABWZKEFRTLMQFM-CRAIPNDOSA-N 1 1 385.533 4.374 20 0 GIADMO C[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992937 823238355 /nfs/dbraw/zinc/23/83/55/823238355.db2.gz QHSKRENQWDBCIW-HNNXBMFYSA-N 1 1 383.458 4.254 20 0 GIADMO CC[C@H](C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000571812909 823238447 /nfs/dbraw/zinc/23/84/47/823238447.db2.gz SIJCOVRHPKLQMT-HXUWFJFHSA-N 1 1 381.520 4.064 20 0 GIADMO CC(C)n1cc(NC(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000571826278 823240426 /nfs/dbraw/zinc/24/04/26/823240426.db2.gz XENBOWYHADQMFG-HXUWFJFHSA-N 1 1 383.540 4.059 20 0 GIADMO CCOc1cc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc(Br)c1O ZINC000459653698 823240387 /nfs/dbraw/zinc/24/03/87/823240387.db2.gz SLFWSWSZRACIFL-SNVBAGLBSA-N 1 1 397.338 4.349 20 0 GIADMO Cc1ccc2c(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)ccc(O)c2n1 ZINC000459653814 823240458 /nfs/dbraw/zinc/24/04/58/823240458.db2.gz DJWXFOABAFXTTD-SFHVURJKSA-N 1 1 394.437 4.430 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC12CCOCC2 ZINC000459656881 823241629 /nfs/dbraw/zinc/24/16/29/823241629.db2.gz WFZWZCRXOANMJF-HNNXBMFYSA-N 1 1 385.455 4.319 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000176582964 823241803 /nfs/dbraw/zinc/24/18/03/823241803.db2.gz YMZXXORWCHMZGV-QUCCMNQESA-N 1 1 390.531 4.055 20 0 GIADMO Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000459657475 823242223 /nfs/dbraw/zinc/24/22/23/823242223.db2.gz WYMUMJLNBNEHEY-GOSISDBHSA-N 1 1 393.453 4.268 20 0 GIADMO Cc1noc(-c2ccc(C)c(NC(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)c2)n1 ZINC000571842550 823243762 /nfs/dbraw/zinc/24/37/62/823243762.db2.gz MJKJORKVMJCOKD-LJQANCHMSA-N 1 1 397.523 4.272 20 0 GIADMO Fc1cccc(F)c1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121754817 823243834 /nfs/dbraw/zinc/24/38/34/823243834.db2.gz PEPMKGXQTSYXPT-LBPRGKRZSA-N 1 1 396.363 4.406 20 0 GIADMO Fc1cccc(F)c1C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121754817 823243837 /nfs/dbraw/zinc/24/38/37/823243837.db2.gz PEPMKGXQTSYXPT-LBPRGKRZSA-N 1 1 396.363 4.406 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@H+](Cc2nccn2-c2ccccc2)CC12CCOCC2 ZINC000459671349 823247415 /nfs/dbraw/zinc/24/74/15/823247415.db2.gz WPPYVMUMFTZUMZ-QGZVFWFLSA-N 1 1 379.426 4.053 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)CC12CCOCC2 ZINC000459671349 823247419 /nfs/dbraw/zinc/24/74/19/823247419.db2.gz WPPYVMUMFTZUMZ-QGZVFWFLSA-N 1 1 379.426 4.053 20 0 GIADMO O=c1[nH]c(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)nc2cc(Cl)ccc12 ZINC000571845787 823244378 /nfs/dbraw/zinc/24/43/78/823244378.db2.gz WDRDDBJKEJCUQF-FQEVSTJZSA-N 1 1 395.890 4.173 20 0 GIADMO COCc1nc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000571845081 823244483 /nfs/dbraw/zinc/24/44/83/823244483.db2.gz UGWCLROFYUBZDD-HLAWJBBLSA-N 1 1 385.577 4.070 20 0 GIADMO COc1cccc2c(N[C@H](C)c3ccc(OCCO)c(OC)c3)cc(C)[nH+]c12 ZINC000121764884 823245926 /nfs/dbraw/zinc/24/59/26/823245926.db2.gz ZTEABRDLBNXWBM-OAHLLOKOSA-N 1 1 382.460 4.105 20 0 GIADMO COc1ccc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1SC ZINC000459671334 823247202 /nfs/dbraw/zinc/24/72/02/823247202.db2.gz KIJFFLZHMHIWFJ-UHFFFAOYSA-N 1 1 387.505 4.196 20 0 GIADMO CCOc1cc(C[NH2+]Cc2cnc(C)o2)cc(Br)c1OC(F)F ZINC000459678643 823249083 /nfs/dbraw/zinc/24/90/83/823249083.db2.gz RXPLAKHNKYTEMY-UHFFFAOYSA-N 1 1 391.212 4.035 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1 ZINC000459681211 823249671 /nfs/dbraw/zinc/24/96/71/823249671.db2.gz DHDLUNZXLCILFS-FUHWJXTLSA-N 1 1 389.517 4.066 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000409569635 823251413 /nfs/dbraw/zinc/25/14/13/823251413.db2.gz HCNPZRXFGSLYCA-IBGZPJMESA-N 1 1 375.516 4.045 20 0 GIADMO CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)CCO1 ZINC000571910540 823252735 /nfs/dbraw/zinc/25/27/35/823252735.db2.gz GKCCMVFKJZGHDY-HOCLYGCPSA-N 1 1 379.570 4.080 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cn1 ZINC000057127723 823251961 /nfs/dbraw/zinc/25/19/61/823251961.db2.gz LRFUNJDQQJMRFE-CQSZACIVSA-N 1 1 383.883 4.132 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1 ZINC000121802791 823254378 /nfs/dbraw/zinc/25/43/78/823254378.db2.gz RXAHPTKKOWXEEZ-QKKBWIMNSA-N 1 1 378.451 4.368 20 0 GIADMO c1c2c(sc1-c1nnc(C[NH+]3CCC(C4CCOCC4)CC3)o1)CCCC2 ZINC000121806155 823255364 /nfs/dbraw/zinc/25/53/64/823255364.db2.gz UWEHNWQPNAJXJV-UHFFFAOYSA-N 1 1 387.549 4.316 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(N(C)C)c3ccccc3n2)C1 ZINC000571933708 823256485 /nfs/dbraw/zinc/25/64/85/823256485.db2.gz ZMEUAAXMNSPVLN-OALUTQOASA-N 1 1 394.563 4.027 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1CCc1nc(-c2ccccc2)no1)c1ccco1 ZINC000121835760 823260166 /nfs/dbraw/zinc/26/01/66/823260166.db2.gz DHGKUJKSNHTKER-OALUTQOASA-N 1 1 381.476 4.240 20 0 GIADMO Cc1c(Br)cc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1Br ZINC000459754487 823260647 /nfs/dbraw/zinc/26/06/47/823260647.db2.gz OANNJUBBJKWRDK-JTQLQIEISA-N 1 1 387.119 4.104 20 0 GIADMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)Cc1ccc(O)cc1 ZINC000571959621 823260638 /nfs/dbraw/zinc/26/06/38/823260638.db2.gz APYWACPNGYHBQN-UHFFFAOYSA-N 1 1 384.483 4.331 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1)c1ccco1 ZINC000121848078 823262108 /nfs/dbraw/zinc/26/21/08/823262108.db2.gz JIPJYSBZKHAGIP-OALUTQOASA-N 1 1 381.476 4.122 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1nc(Cc2ccccc2)no1)c1ccco1 ZINC000121848078 823262114 /nfs/dbraw/zinc/26/21/14/823262114.db2.gz JIPJYSBZKHAGIP-OALUTQOASA-N 1 1 381.476 4.122 20 0 GIADMO Cc1cnc([C@@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459765603 823262116 /nfs/dbraw/zinc/26/21/16/823262116.db2.gz NXZXGTCRNVBQGA-VOQZNFBZSA-N 1 1 379.479 4.441 20 0 GIADMO Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459765603 823262127 /nfs/dbraw/zinc/26/21/27/823262127.db2.gz NXZXGTCRNVBQGA-VOQZNFBZSA-N 1 1 379.479 4.441 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1csc(-c2ccoc2)n1 ZINC000409619584 823263482 /nfs/dbraw/zinc/26/34/82/823263482.db2.gz UGIFKSYHPXEOTN-UHFFFAOYSA-N 1 1 385.514 4.204 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000571978189 823264609 /nfs/dbraw/zinc/26/46/09/823264609.db2.gz YTQCSMBEUQRADM-LNRXMEIDSA-N 1 1 393.556 4.437 20 0 GIADMO CC(C)c1csc(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000121865644 823266102 /nfs/dbraw/zinc/26/61/02/823266102.db2.gz MWEYAPTZLKOKQX-IRXDYDNUSA-N 1 1 378.586 4.063 20 0 GIADMO Cc1cc(C(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(C)n1Cc1ccco1 ZINC000459810317 823266626 /nfs/dbraw/zinc/26/66/26/823266626.db2.gz TXSHDIVHGSGULL-OFAXGOBFSA-N 1 1 398.547 4.190 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000004417457 817525750 /nfs/dbraw/zinc/52/57/50/817525750.db2.gz MWBPONSJSHEABO-SFHVURJKSA-N 1 1 388.515 4.291 20 0 GIADMO CC[C@]1(CO)CCCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000188609626 823272175 /nfs/dbraw/zinc/27/21/75/823272175.db2.gz KMJPIWCSGPDINP-QFIPXVFZSA-N 1 1 384.524 4.071 20 0 GIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)CCCNC(=O)[C@H]3CC=CCC3)c2C1 ZINC000409646595 823272546 /nfs/dbraw/zinc/27/25/46/823272546.db2.gz VSMIIJKIIHZAJI-IBGZPJMESA-N 1 1 397.563 4.240 20 0 GIADMO CCC[N@H+](CCc1nc(-c2ccccc2)no1)CC(=O)Nc1ccc(Cl)cc1 ZINC000572084408 823280421 /nfs/dbraw/zinc/28/04/21/823280421.db2.gz PTKNWHDLKFMKAB-UHFFFAOYSA-N 1 1 398.894 4.283 20 0 GIADMO CCC[N@@H+](CCc1nc(-c2ccccc2)no1)CC(=O)Nc1ccc(Cl)cc1 ZINC000572084408 823280429 /nfs/dbraw/zinc/28/04/29/823280429.db2.gz PTKNWHDLKFMKAB-UHFFFAOYSA-N 1 1 398.894 4.283 20 0 GIADMO CCOc1cccc(Cl)c1C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000572056352 823275206 /nfs/dbraw/zinc/27/52/06/823275206.db2.gz YMDBTUJZWKDECF-UHFFFAOYSA-N 1 1 390.911 4.343 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000572067292 823277421 /nfs/dbraw/zinc/27/74/21/823277421.db2.gz QCZNRWJJHDTQFR-UHFFFAOYSA-N 1 1 387.867 4.182 20 0 GIADMO COc1ccc(C[C@H](C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000121923356 823277684 /nfs/dbraw/zinc/27/76/84/823277684.db2.gz ONOVZOXJURJALE-DLBZAZTESA-N 1 1 377.488 4.245 20 0 GIADMO O=C(C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)NCc1ccc(F)cc1 ZINC000572073676 823277931 /nfs/dbraw/zinc/27/79/31/823277931.db2.gz MTAYOCSEUFXETE-NRFANRHFSA-N 1 1 397.881 4.064 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000460027564 823280833 /nfs/dbraw/zinc/28/08/33/823280833.db2.gz SQTWUOQSPLRBLZ-LBPRGKRZSA-N 1 1 381.398 4.201 20 0 GIADMO Cc1ccc(NC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000409677541 823281074 /nfs/dbraw/zinc/28/10/74/823281074.db2.gz ZQGHKZXJPUYMGR-UHFFFAOYSA-N 1 1 394.563 4.023 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)c1nc(C)c(C)nc1C ZINC000460029970 823281188 /nfs/dbraw/zinc/28/11/88/823281188.db2.gz UVXUAPAKGAEKRB-UHFFFAOYSA-N 1 1 389.381 4.167 20 0 GIADMO CCc1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cc[nH+]c2C)o1 ZINC000460032101 823281248 /nfs/dbraw/zinc/28/12/48/823281248.db2.gz WLECPXVDPISXDL-UHFFFAOYSA-N 1 1 378.354 4.311 20 0 GIADMO O=C(CSc1ccc2ccccc2c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000006432488 817691996 /nfs/dbraw/zinc/69/19/96/817691996.db2.gz NOPCABIFMCQBTO-HXUWFJFHSA-N 1 1 380.513 4.478 20 0 GIADMO Cc1ccc(OCc2ccccc2)c(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000572101094 823283614 /nfs/dbraw/zinc/28/36/14/823283614.db2.gz AOUMXDBHSOHKNG-HXUWFJFHSA-N 1 1 381.520 4.426 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)Cc3ccc(F)cc3)ccc2c1 ZINC000006976640 817732810 /nfs/dbraw/zinc/73/28/10/817732810.db2.gz KXGACHLMJOOWSJ-UHFFFAOYSA-N 1 1 380.463 4.078 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)Cc3ccc(F)cc3)ccc2c1 ZINC000006976640 817732816 /nfs/dbraw/zinc/73/28/16/817732816.db2.gz KXGACHLMJOOWSJ-UHFFFAOYSA-N 1 1 380.463 4.078 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(OC(F)F)cc1F ZINC000572108214 823284535 /nfs/dbraw/zinc/28/45/35/823284535.db2.gz LTMREYPVXHBNNW-CYBMUJFWSA-N 1 1 381.398 4.069 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CCCOc3ccccc32)cc1 ZINC000121957419 823284616 /nfs/dbraw/zinc/28/46/16/823284616.db2.gz GYHZPVYLWMZLLI-IERDGZPVSA-N 1 1 390.487 4.455 20 0 GIADMO CCCc1occc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000409697634 823285062 /nfs/dbraw/zinc/28/50/62/823285062.db2.gz MPDLCUZIZNAMHV-MRXNPFEDSA-N 1 1 380.410 4.255 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1 ZINC000121961466 823285158 /nfs/dbraw/zinc/28/51/58/823285158.db2.gz DHNYZWVZWODJJP-UHFFFAOYSA-N 1 1 394.906 4.230 20 0 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HARHFTHEDLRTQH-CYBMUJFWSA-N 1 1 380.517 4.446 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC000189039837 823346464 /nfs/dbraw/zinc/34/64/64/823346464.db2.gz XLPAYDHQQZWVFY-SJKOYZFVSA-N 1 1 396.384 4.018 20 0 GIADMO C[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000057948988 823349670 /nfs/dbraw/zinc/34/96/70/823349670.db2.gz DFXSAVFWPHZQKY-VGSWGCGISA-N 1 1 399.922 4.096 20 0 GIADMO Fc1cccc(-c2cnc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)o2)c1 ZINC000572530174 823355178 /nfs/dbraw/zinc/35/51/78/823355178.db2.gz MBCHVLSVJXXOIO-NHCUHLMSSA-N 1 1 391.490 4.435 20 0 GIADMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000057974695 823352016 /nfs/dbraw/zinc/35/20/16/823352016.db2.gz IKWWKNJANRGWRI-GUYCJALGSA-N 1 1 382.273 4.021 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1)c1ccc(Br)cc1 ZINC000020814476 818631952 /nfs/dbraw/zinc/63/19/52/818631952.db2.gz FYZWFVUKKNNXIM-GJZGRUSLSA-N 1 1 375.310 4.319 20 0 GIADMO 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396.443 4.002 20 0 GIADMO C[NH+](C)[C@@H](c1nc(-c2ccccc2-n2ccc(C3CC3)n2)no1)c1ccccc1 ZINC000572594257 823366954 /nfs/dbraw/zinc/36/69/54/823366954.db2.gz VQXYBKJBGMZOPW-OAQYLSRUSA-N 1 1 385.471 4.451 20 0 GIADMO Cc1csc2nc(C[NH2+][C@H](c3ccccc3)c3cccc(F)c3)cc(=O)n12 ZINC000122490950 823362302 /nfs/dbraw/zinc/36/23/02/823362302.db2.gz JOULTYCFEPKJQC-HXUWFJFHSA-N 1 1 379.460 4.083 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C(C)C)c(OC)c1 ZINC000022063947 818768850 /nfs/dbraw/zinc/76/88/50/818768850.db2.gz HGSJKVBZFQPBBC-URXFXBBRSA-N 1 1 396.531 4.354 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C(C)C)c(OC)c1 ZINC000022063947 818768859 /nfs/dbraw/zinc/76/88/59/818768859.db2.gz HGSJKVBZFQPBBC-URXFXBBRSA-N 1 1 396.531 4.354 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 ZINC000022199272 818782707 /nfs/dbraw/zinc/78/27/07/818782707.db2.gz IQNIHYCMKDGWTP-SFHVURJKSA-N 1 1 386.879 4.277 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1Cn1cccn1 ZINC000122500270 823363796 /nfs/dbraw/zinc/36/37/96/823363796.db2.gz DENCBSKVDQZGKP-HOTGVXAUSA-N 1 1 383.467 4.500 20 0 GIADMO CC[N@H+]1C[C@H](C)N(C(=O)C(C)(C)c2csc(-c3cccs3)n2)C[C@@H]1C ZINC000409991631 823364798 /nfs/dbraw/zinc/36/47/98/823364798.db2.gz JKPCPCHYFXERLO-KBPBESRZSA-N 1 1 377.579 4.090 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000460364856 823364829 /nfs/dbraw/zinc/36/48/29/823364829.db2.gz VJZFDVQRHQUHKB-YSHGAJCASA-N 1 1 397.485 4.412 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)C(C)(C)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000409993129 823365237 /nfs/dbraw/zinc/36/52/37/823365237.db2.gz NHRXFHFOKASNPI-NFBKMPQASA-N 1 1 394.559 4.399 20 0 GIADMO Fc1ccc2nc(C[NH+]3CCC(c4nc(-c5ccccn5)no4)CC3)sc2c1 ZINC000572581514 823365231 /nfs/dbraw/zinc/36/52/31/823365231.db2.gz WWTNRFNYHWQAAJ-UHFFFAOYSA-N 1 1 395.463 4.260 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N(C)CCC[N@@H+](C)Cc3ccco3)cs2)cc1 ZINC000572589482 823366146 /nfs/dbraw/zinc/36/61/46/823366146.db2.gz YPUFKEDPKULVEU-UHFFFAOYSA-N 1 1 397.544 4.235 20 0 GIADMO Cc1cc(N2CCC(N(C)C(=O)c3cccc(-c4ccoc4)c3)CC2)nc(C)[nH+]1 ZINC000122528097 823367485 /nfs/dbraw/zinc/36/74/85/823367485.db2.gz FZCLZOOYCQXUSC-UHFFFAOYSA-N 1 1 390.487 4.094 20 0 GIADMO c1ccc(C(OCC[NH+]2CCN(Cc3ccncc3)CC2)c2ccccc2)cc1 ZINC000022658188 818838176 /nfs/dbraw/zinc/83/81/76/818838176.db2.gz BVODGYIPNPMRTC-UHFFFAOYSA-N 1 1 387.527 4.005 20 0 GIADMO Cc1cccc(NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000177089424 823368325 /nfs/dbraw/zinc/36/83/25/823368325.db2.gz BIPRCLQMFRKFGM-CALCHBBNSA-N 1 1 393.959 4.392 20 0 GIADMO Clc1cccc(-c2noc(CN3CCC[N@@H+](Cc4ccccc4)CC3)n2)c1 ZINC000022807352 818863072 /nfs/dbraw/zinc/86/30/72/818863072.db2.gz BAUBGLXBCJTIHS-UHFFFAOYSA-N 1 1 382.895 4.098 20 0 GIADMO c1c(CNC2CC[NH+](C3CC3)CC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000022820790 818864221 /nfs/dbraw/zinc/86/42/21/818864221.db2.gz YCBLFLYSIJODPE-UHFFFAOYSA-N 1 1 386.543 4.315 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000022850976 818867373 /nfs/dbraw/zinc/86/73/73/818867373.db2.gz ACIFIDBWAPIVQL-UHFFFAOYSA-N 1 1 397.538 4.404 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)[C@H](C)C1 ZINC000122542170 823369610 /nfs/dbraw/zinc/36/96/10/823369610.db2.gz GDYWTYYHMPXJQU-DYESRHJHSA-N 1 1 385.552 4.008 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)c2C2CC2)cc1Cl ZINC000177094209 823369822 /nfs/dbraw/zinc/36/98/22/823369822.db2.gz UFALWKPOECLBJF-HOCLYGCPSA-N 1 1 398.938 4.067 20 0 GIADMO C[N@@H+](Cc1ccccc1N[C@H]1CCN(CC(F)(F)F)C1=O)C1CCCCC1 ZINC000177095309 823370090 /nfs/dbraw/zinc/37/00/90/823370090.db2.gz RLLGMJZNFOKFQB-SFHVURJKSA-N 1 1 383.458 4.026 20 0 GIADMO CC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1ccc(OC)c(OC)c1 ZINC000022972203 818881714 /nfs/dbraw/zinc/88/17/14/818881714.db2.gz BWNUVTUONBIXJE-QHCPKHFHSA-N 1 1 384.520 4.039 20 0 GIADMO CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1ccc(OC)c(OC)c1 ZINC000022972203 818881718 /nfs/dbraw/zinc/88/17/18/818881718.db2.gz BWNUVTUONBIXJE-QHCPKHFHSA-N 1 1 384.520 4.039 20 0 GIADMO CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1ccc(OC)c(OC)c1 ZINC000022971694 818881857 /nfs/dbraw/zinc/88/18/57/818881857.db2.gz VWOXHDCYRYNBOC-GOSISDBHSA-N 1 1 384.520 4.020 20 0 GIADMO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1ccc(OC)c(OC)c1 ZINC000022971694 818881865 /nfs/dbraw/zinc/88/18/65/818881865.db2.gz VWOXHDCYRYNBOC-GOSISDBHSA-N 1 1 384.520 4.020 20 0 GIADMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189180967 823371202 /nfs/dbraw/zinc/37/12/02/823371202.db2.gz HTONXHBGSAXPOL-KSSFIOAISA-N 1 1 375.900 4.266 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000412057859 823624742 /nfs/dbraw/zinc/62/47/42/823624742.db2.gz SKQUOQPBBXHIAI-AWEZNQCLSA-N 1 1 385.733 4.079 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000412057859 823624744 /nfs/dbraw/zinc/62/47/44/823624744.db2.gz SKQUOQPBBXHIAI-AWEZNQCLSA-N 1 1 385.733 4.079 20 0 GIADMO Cc1ccc(SCCNC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023355576 818926842 /nfs/dbraw/zinc/92/68/42/818926842.db2.gz ZUJRUQLNLOKQLE-OAHLLOKOSA-N 1 1 378.488 4.175 20 0 GIADMO Cc1ccc(SCCNC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023355576 818926848 /nfs/dbraw/zinc/92/68/48/818926848.db2.gz ZUJRUQLNLOKQLE-OAHLLOKOSA-N 1 1 378.488 4.175 20 0 GIADMO Cc1ccc(CC[C@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000460394212 823374843 /nfs/dbraw/zinc/37/48/43/823374843.db2.gz MRANESMLSJLGDB-BWAGFHJFSA-N 1 1 395.547 4.073 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCCc2ccc(Br)s2)C1 ZINC000122573123 823375016 /nfs/dbraw/zinc/37/50/16/823375016.db2.gz IUBAFHCMFLEAEM-AWEZNQCLSA-N 1 1 387.387 4.070 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1OC ZINC000189204330 823375142 /nfs/dbraw/zinc/37/51/42/823375142.db2.gz HFOBREUHWIPTLQ-CQSZACIVSA-N 1 1 387.430 4.078 20 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ZINC000460410994 823380156 /nfs/dbraw/zinc/38/01/56/823380156.db2.gz GYCIYNPRXHJLPE-UHFFFAOYSA-N 1 1 381.568 4.099 20 0 GIADMO Cc1ccc([C@H](NC(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c2cccs2)cc1 ZINC000189248294 823381376 /nfs/dbraw/zinc/38/13/76/823381376.db2.gz XUHZDJASWNLXTA-REWPJTCUSA-N 1 1 398.572 4.153 20 0 GIADMO COc1ccc(-c2cnc(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)o2)cc1 ZINC000177146454 823382315 /nfs/dbraw/zinc/38/23/15/823382315.db2.gz AJDLBUFQQRZTIO-FQEVSTJZSA-N 1 1 378.472 4.184 20 0 GIADMO Cc1nn2c(C[NH+]3CCC([C@@H](F)c4ccccc4F)CC3)c(C)nc2s1 ZINC000572683086 823382324 /nfs/dbraw/zinc/38/23/24/823382324.db2.gz GKSRVHZPFALYFC-GOSISDBHSA-N 1 1 376.476 4.470 20 0 GIADMO Cc1cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000572683553 823382471 /nfs/dbraw/zinc/38/24/71/823382471.db2.gz JHICDGKPWDGOBR-NRFANRHFSA-N 1 1 394.906 4.292 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3csc(Cl)c3)CC2)cs1 ZINC000189272782 823384699 /nfs/dbraw/zinc/38/46/99/823384699.db2.gz BCYQMGJPAQCDDS-UHFFFAOYSA-N 1 1 383.970 4.062 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1F ZINC000572696357 823384907 /nfs/dbraw/zinc/38/49/07/823384907.db2.gz BOASORJTEKGCBJ-SFHVURJKSA-N 1 1 394.450 4.145 20 0 GIADMO O[C@@H](C[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccccc1)c1ccco1 ZINC000177153026 823384953 /nfs/dbraw/zinc/38/49/53/823384953.db2.gz GWPMFULVZFJICS-IBGZPJMESA-N 1 1 381.863 4.317 20 0 GIADMO O[C@@H](C[N@@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccccc1)c1ccco1 ZINC000177153026 823384962 /nfs/dbraw/zinc/38/49/62/823384962.db2.gz GWPMFULVZFJICS-IBGZPJMESA-N 1 1 381.863 4.317 20 0 GIADMO CCc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177159214 823386829 /nfs/dbraw/zinc/38/68/29/823386829.db2.gz IDJCFRYLSKDMGI-OAQYLSRUSA-N 1 1 378.472 4.016 20 0 GIADMO CCc1ccccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000177159214 823386832 /nfs/dbraw/zinc/38/68/32/823386832.db2.gz IDJCFRYLSKDMGI-OAQYLSRUSA-N 1 1 378.472 4.016 20 0 GIADMO Cc1cccc2nc(C3CCN(C(=O)NC[C@@H]4CC[N@H+](CC(C)C)C4)CC3)oc21 ZINC000189285095 823386844 /nfs/dbraw/zinc/38/68/44/823386844.db2.gz DZIHDWKFUWARPJ-SFHVURJKSA-N 1 1 398.551 4.003 20 0 GIADMO COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc2c1 ZINC000189314335 823392126 /nfs/dbraw/zinc/39/21/26/823392126.db2.gz XNNMSBUCTOZXAA-FXAWDEMLSA-N 1 1 391.515 4.302 20 0 GIADMO Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2F)c1 ZINC000572757234 823393538 /nfs/dbraw/zinc/39/35/38/823393538.db2.gz QGFXITZACUODME-CYBMUJFWSA-N 1 1 379.273 4.494 20 0 GIADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCCc1ccc(Oc3ccc(F)cc3)cc1)CC2 ZINC000572727962 823389568 /nfs/dbraw/zinc/38/95/68/823389568.db2.gz YDTZYPLOYUAEOK-SFHVURJKSA-N 1 1 393.462 4.044 20 0 GIADMO Cc1ccc2cc(C[NH2+][C@H](C)c3cc(F)ccc3N3CCN(C)CC3)ccc2n1 ZINC000189320653 823393555 /nfs/dbraw/zinc/39/35/55/823393555.db2.gz BPMUOARMKFJLMT-GOSISDBHSA-N 1 1 392.522 4.285 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC[N@H+]1C ZINC000122685613 823394524 /nfs/dbraw/zinc/39/45/24/823394524.db2.gz 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Fc1ccccc1-n1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 ZINC000189364303 823401438 /nfs/dbraw/zinc/40/14/38/823401438.db2.gz LTWAWECYMCALKY-UHFFFAOYSA-N 1 1 393.388 4.064 20 0 GIADMO Fc1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)co2)c1 ZINC000058505823 823401695 /nfs/dbraw/zinc/40/16/95/823401695.db2.gz ZFAKMNAIHOGXCN-KRWDZBQOSA-N 1 1 395.482 4.178 20 0 GIADMO Fc1cccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)co2)c1 ZINC000058505823 823401697 /nfs/dbraw/zinc/40/16/97/823401697.db2.gz ZFAKMNAIHOGXCN-KRWDZBQOSA-N 1 1 395.482 4.178 20 0 GIADMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000058525684 823403921 /nfs/dbraw/zinc/40/39/21/823403921.db2.gz UNFLHGVLMLJPOC-UZLBHIALSA-N 1 1 386.923 4.233 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000572809168 823403312 /nfs/dbraw/zinc/40/33/12/823403312.db2.gz LSSBGGPYPCVZNH-RDJZCZTQSA-N 1 1 388.458 4.255 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000572809168 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823412876 /nfs/dbraw/zinc/41/28/76/823412876.db2.gz ONUVZCNRNHMZHG-IBGZPJMESA-N 1 1 389.590 4.414 20 0 GIADMO O=C(Nc1ccc(F)cc1OC(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460500998 823409628 /nfs/dbraw/zinc/40/96/28/823409628.db2.gz DPTMUYYVWRQDLS-HNNXBMFYSA-N 1 1 378.394 4.278 20 0 GIADMO COc1cccc(-c2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3C)cc2)c1 ZINC000122805404 823415335 /nfs/dbraw/zinc/41/53/35/823415335.db2.gz GEHWRELVHAORCX-UHFFFAOYSA-N 1 1 392.503 4.099 20 0 GIADMO Cc1cc(NCCCOC[C@@H]2CCOC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000572893345 823415380 /nfs/dbraw/zinc/41/53/80/823415380.db2.gz AGLZFFDDHRWVOG-AWEZNQCLSA-N 1 1 384.398 4.297 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccn(-c2ccccc2F)n1 ZINC000189438398 823416451 /nfs/dbraw/zinc/41/64/51/823416451.db2.gz LRNHVMSWRWBJLN-LBPRGKRZSA-N 1 1 395.404 4.238 20 0 GIADMO Cc1cccnc1C(C)(C)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572900338 823416795 /nfs/dbraw/zinc/41/67/95/823416795.db2.gz XPALOAWDELUAKL-IBGZPJMESA-N 1 1 394.563 4.291 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2cccc(Cl)c2Cl)CC1 ZINC000189443969 823417757 /nfs/dbraw/zinc/41/77/57/823417757.db2.gz MRAKRIJELUJGKC-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2cc(Cl)cc(Cl)c2)CC1 ZINC000189447258 823418752 /nfs/dbraw/zinc/41/87/52/823418752.db2.gz BEMBGWLGYKJYLG-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO COCCc1ccccc1NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000189460905 823422109 /nfs/dbraw/zinc/42/21/09/823422109.db2.gz AIYNNNABMPORMH-INIZCTEOSA-N 1 1 378.476 4.252 20 0 GIADMO CCSc1cc(Cl)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000122858480 823424396 /nfs/dbraw/zinc/42/43/96/823424396.db2.gz ISGAXQJQNOHRDQ-UHFFFAOYSA-N 1 1 386.908 4.271 20 0 GIADMO Cc1ccc(Sc2ncccc2C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1 ZINC000122858578 823424421 /nfs/dbraw/zinc/42/44/21/823424421.db2.gz XIZJNEFRNGAAER-MSOLQXFVSA-N 1 1 383.561 4.404 20 0 GIADMO C[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411149634 823551840 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20 0 GIADMO CC[C@@H](NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)nn(C)c1C ZINC000122885239 823429060 /nfs/dbraw/zinc/42/90/60/823429060.db2.gz YGEHEUXDIHAZIS-JLTOFOAXSA-N 1 1 394.523 4.043 20 0 GIADMO Cc1ccc2c(C[N@H+]3CCC[C@H](c4cc(C(F)(F)F)n[nH]4)C3)ccc(O)c2n1 ZINC000572987730 823430357 /nfs/dbraw/zinc/43/03/57/823430357.db2.gz DDCWMSUMMBLQIN-AWEZNQCLSA-N 1 1 390.409 4.370 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc(C)nc3C3CC3)C2)s1 ZINC000573008096 823432811 /nfs/dbraw/zinc/43/28/11/823432811.db2.gz SHYDOIZMTKCTGB-QGZVFWFLSA-N 1 1 383.561 4.231 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000460560964 823433223 /nfs/dbraw/zinc/43/32/23/823433223.db2.gz VTFCXBMZMOSNEY-CQSZACIVSA-N 1 1 394.972 4.034 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1F ZINC000024667755 819862709 /nfs/dbraw/zinc/86/27/09/819862709.db2.gz ABWZINNNKIXSOC-JKSUJKDBSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1F ZINC000024667755 819862718 /nfs/dbraw/zinc/86/27/18/819862718.db2.gz ABWZINNNKIXSOC-JKSUJKDBSA-N 1 1 381.451 4.482 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc(Br)cc2)n1 ZINC000177328520 823435074 /nfs/dbraw/zinc/43/50/74/823435074.db2.gz UWAPYMUDFBTNKA-MSOLQXFVSA-N 1 1 390.325 4.163 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000024804522 819878776 /nfs/dbraw/zinc/87/87/76/819878776.db2.gz UIZNEEQFSVIGSC-UHFFFAOYSA-N 1 1 394.874 4.265 20 0 GIADMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1OC ZINC000024805310 819879217 /nfs/dbraw/zinc/87/92/17/819879217.db2.gz CDEBRDGGYCJTTA-HNNXBMFYSA-N 1 1 388.533 4.193 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1OC ZINC000024805310 819879228 /nfs/dbraw/zinc/87/92/28/819879228.db2.gz CDEBRDGGYCJTTA-HNNXBMFYSA-N 1 1 388.533 4.193 20 0 GIADMO CC(=O)N1CC[NH+](Cc2cccc(NCc3cc(Cl)cc(Cl)c3)c2)CC1 ZINC000189515690 823435560 /nfs/dbraw/zinc/43/55/60/823435560.db2.gz IWLOARMOVSPOKI-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1CCOC ZINC000189517295 823435760 /nfs/dbraw/zinc/43/57/60/823435760.db2.gz KBEJRQPSOJWJJX-OAQYLSRUSA-N 1 1 395.547 4.251 20 0 GIADMO C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573035937 823437398 /nfs/dbraw/zinc/43/73/98/823437398.db2.gz GKIVDEHUROTHOU-YMPZKCBVSA-N 1 1 398.591 4.248 20 0 GIADMO C[N@@H+](CCO)Cc1cc(NCc2ccc(C(F)(F)F)s2)ccc1Cl ZINC000573040239 823438243 /nfs/dbraw/zinc/43/82/43/823438243.db2.gz XQGVDCKXSDXXMZ-UHFFFAOYSA-N 1 1 378.847 4.457 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000025087564 819924296 /nfs/dbraw/zinc/92/42/96/819924296.db2.gz QHWGMEUMBDJLHK-YOSAUDMPSA-N 1 1 392.543 4.143 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000025088060 819925254 /nfs/dbraw/zinc/92/52/54/819925254.db2.gz WWIIZOQZCVDRQL-IXFSTUDKSA-N 1 1 396.506 4.412 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000025088060 819925258 /nfs/dbraw/zinc/92/52/58/819925258.db2.gz WWIIZOQZCVDRQL-IXFSTUDKSA-N 1 1 396.506 4.412 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253894 819951233 /nfs/dbraw/zinc/95/12/33/819951233.db2.gz NJUKKVYYFMNPEW-QGZVFWFLSA-N 1 1 396.409 4.443 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253894 819951239 /nfs/dbraw/zinc/95/12/39/819951239.db2.gz NJUKKVYYFMNPEW-QGZVFWFLSA-N 1 1 396.409 4.443 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCO[C@@H](c3ccco3)C2)c1 ZINC000122966884 823441194 /nfs/dbraw/zinc/44/11/94/823441194.db2.gz FDZWGGGJQAGSFK-HXUWFJFHSA-N 1 1 394.475 4.253 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc4[nH]ccc43)CC[N@H+]2C2CC2)c1 ZINC000189546221 823441267 /nfs/dbraw/zinc/44/12/67/823441267.db2.gz IKEMCBFKBVNPSS-YADHBBJMSA-N 1 1 390.487 4.276 20 0 GIADMO CN(Cc1ccccc1Br)C(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000058764815 823446879 /nfs/dbraw/zinc/44/68/79/823446879.db2.gz NBVYJHXIUXWBGW-UHFFFAOYSA-N 1 1 395.728 4.193 20 0 GIADMO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000058764815 823446881 /nfs/dbraw/zinc/44/68/81/823446881.db2.gz NBVYJHXIUXWBGW-UHFFFAOYSA-N 1 1 395.728 4.193 20 0 GIADMO O=c1nc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)[nH]c2scc(-c3ccco3)c21 ZINC000025440943 819980652 /nfs/dbraw/zinc/98/06/52/819980652.db2.gz LCMRADSUBOEXOH-INIZCTEOSA-N 1 1 391.496 4.452 20 0 GIADMO O=c1nc(C[N@H+]2CCC[C@H]2Cc2ccccc2)[nH]c2scc(-c3ccco3)c21 ZINC000025440943 819980656 /nfs/dbraw/zinc/98/06/56/819980656.db2.gz LCMRADSUBOEXOH-INIZCTEOSA-N 1 1 391.496 4.452 20 0 GIADMO Cc1c2cccc(F)c2oc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025461858 819986110 /nfs/dbraw/zinc/98/61/10/819986110.db2.gz KMSBZXAEOIYGJD-UHFFFAOYSA-N 1 1 380.463 4.447 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000025534454 819998826 /nfs/dbraw/zinc/99/88/26/819998826.db2.gz UJTOTSYEYXELMR-UHFFFAOYSA-N 1 1 394.393 4.248 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2OC(F)(F)F)cc1 ZINC000025534454 819998832 /nfs/dbraw/zinc/99/88/32/819998832.db2.gz UJTOTSYEYXELMR-UHFFFAOYSA-N 1 1 394.393 4.248 20 0 GIADMO CCN(Cc1c[nH]c2ccccc12)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000189564742 823445245 /nfs/dbraw/zinc/44/52/45/823445245.db2.gz FNZNPDYVDGVVTG-UHFFFAOYSA-N 1 1 376.504 4.136 20 0 GIADMO CCc1ccc(NC(=O)[C@H](C)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000025702520 820016291 /nfs/dbraw/zinc/01/62/91/820016291.db2.gz SEOHKVKXRMKAHS-IBGZPJMESA-N 1 1 379.548 4.352 20 0 GIADMO O=C(C[N@H+](Cc1ccccc1)C1CC1)Nc1ccnn1Cc1ccccc1Cl ZINC000025750576 820021478 /nfs/dbraw/zinc/02/14/78/820021478.db2.gz SNQVDZQUMMDWCH-UHFFFAOYSA-N 1 1 394.906 4.188 20 0 GIADMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)Nc1ccnn1Cc1ccccc1Cl ZINC000025750576 820021484 /nfs/dbraw/zinc/02/14/84/820021484.db2.gz SNQVDZQUMMDWCH-UHFFFAOYSA-N 1 1 394.906 4.188 20 0 GIADMO Cc1nc(-c2cccs2)ccc1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025942517 820042416 /nfs/dbraw/zinc/04/24/16/820042416.db2.gz TWENCCIZFKEWRD-MRXNPFEDSA-N 1 1 391.540 4.295 20 0 GIADMO CCOc1ccc(-c2nc(C)c(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1 ZINC000123048345 823453190 /nfs/dbraw/zinc/45/31/90/823453190.db2.gz RZUADQCGBRGCTB-RHSMWYFYSA-N 1 1 387.549 4.072 20 0 GIADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cccn2)cc1)Nc1ccccc1 ZINC000026180868 820067631 /nfs/dbraw/zinc/06/76/31/820067631.db2.gz RUBBDBBZTFUMHF-JOCHJYFZSA-N 1 1 389.503 4.049 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026324849 820083366 /nfs/dbraw/zinc/08/33/66/820083366.db2.gz AFNWDJNMQPVUSE-SFHVURJKSA-N 1 1 376.504 4.008 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026324849 820083376 /nfs/dbraw/zinc/08/33/76/820083376.db2.gz AFNWDJNMQPVUSE-SFHVURJKSA-N 1 1 376.504 4.008 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(Br)ccc2F)[C@@H]1c1ccccc1 ZINC000189582485 823451430 /nfs/dbraw/zinc/45/14/30/823451430.db2.gz RJZPYPCJBRMQHK-WBVHZDCISA-N 1 1 392.272 4.155 20 0 GIADMO CCSc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2Br)ccn1 ZINC000189582274 823451441 /nfs/dbraw/zinc/45/14/41/823451441.db2.gz HSWZSUNEYXYBQB-UHFFFAOYSA-N 1 1 397.338 4.263 20 0 GIADMO CCC[N@@H+](Cc1ccc(OC(C)=O)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000123038946 823451728 /nfs/dbraw/zinc/45/17/28/823451728.db2.gz WOQKORVRCNERKM-UHFFFAOYSA-N 1 1 394.515 4.129 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000026364943 820089681 /nfs/dbraw/zinc/08/96/81/820089681.db2.gz XUEPWFRYIJGCJS-LSDHHAIUSA-N 1 1 385.895 4.145 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1Cl ZINC000026365047 820090239 /nfs/dbraw/zinc/09/02/39/820090239.db2.gz WZFYQAXOEWRTRW-CABCVRRESA-N 1 1 385.895 4.145 20 0 GIADMO O[C@H]([C@H]1CC[N@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000573134665 823452326 /nfs/dbraw/zinc/45/23/26/823452326.db2.gz PMMXPFOPUNANNJ-USXIJHARSA-N 1 1 377.834 4.053 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C)cc1OC(F)F ZINC000026452838 820099669 /nfs/dbraw/zinc/09/96/69/820099669.db2.gz BDQWTKDHYSNGAF-CQSZACIVSA-N 1 1 378.419 4.064 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C)cc1OC(F)F ZINC000026452838 820099678 /nfs/dbraw/zinc/09/96/78/820099678.db2.gz BDQWTKDHYSNGAF-CQSZACIVSA-N 1 1 378.419 4.064 20 0 GIADMO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000026478428 820102468 /nfs/dbraw/zinc/10/24/68/820102468.db2.gz BWCSUIIYEJOLKH-CHWSQXEVSA-N 1 1 381.303 4.358 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)C[C@H](C)O1 ZINC000410298163 823454725 /nfs/dbraw/zinc/45/47/25/823454725.db2.gz BCVZRCHOXNFXTL-OALUTQOASA-N 1 1 388.511 4.379 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)[C@H](C)c3ccccc3)CC2)c(C)c1 ZINC000026641476 820127391 /nfs/dbraw/zinc/12/73/91/820127391.db2.gz UAFYHMFYZJRXMO-HXUWFJFHSA-N 1 1 392.543 4.418 20 0 GIADMO CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000026665080 820129580 /nfs/dbraw/zinc/12/95/80/820129580.db2.gz VQITVRTYECMBAI-INIZCTEOSA-N 1 1 388.895 4.221 20 0 GIADMO FC(F)(F)C(F)(F)COCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000189598198 823455289 /nfs/dbraw/zinc/45/52/89/823455289.db2.gz RTIIGCDNJHHUSG-LBPRGKRZSA-N 1 1 378.341 4.221 20 0 GIADMO Clc1ccc2c(c1)nc(C[NH+]1CCC3(CC1)OCCO3)n2Cc1ccccc1 ZINC000026936306 820165756 /nfs/dbraw/zinc/16/57/56/820165756.db2.gz SIPWUYNADORBHD-UHFFFAOYSA-N 1 1 397.906 4.077 20 0 GIADMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1csc(-c2ccccc2OC)n1)c1ccccc1 ZINC000177419032 823458336 /nfs/dbraw/zinc/45/83/36/823458336.db2.gz NCDBXKLSHDGNDA-QRWLVFNGSA-N 1 1 396.512 4.459 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000058820447 823458738 /nfs/dbraw/zinc/45/87/38/823458738.db2.gz CMWGKIRHNUWTRK-UHFFFAOYSA-N 1 1 394.437 4.241 20 0 GIADMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc2occc2c1 ZINC000573139815 823453822 /nfs/dbraw/zinc/45/38/22/823453822.db2.gz LOCGWVQAIPOVQP-MRXNPFEDSA-N 1 1 384.501 4.166 20 0 GIADMO CC(C)C(=O)N1CCC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000177429068 823460192 /nfs/dbraw/zinc/46/01/92/823460192.db2.gz TUNBYOKDMLBQLS-UHFFFAOYSA-N 1 1 391.968 4.171 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(CCC[NH+](C)C)CC1 ZINC000123117276 823465084 /nfs/dbraw/zinc/46/50/84/823465084.db2.gz USXHYNCXHFDXEI-HNNXBMFYSA-N 1 1 385.474 4.086 20 0 GIADMO CSCc1c2ccccc2oc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027332771 820225807 /nfs/dbraw/zinc/22/58/07/820225807.db2.gz GKLLPHYMOCWAPS-QGZVFWFLSA-N 1 1 384.501 4.456 20 0 GIADMO C[N@@H+](CCNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)C1CC1 ZINC000058858011 823462970 /nfs/dbraw/zinc/46/29/70/823462970.db2.gz XDVVGEJBQNQBLZ-HSZRJFAPSA-N 1 1 393.556 4.007 20 0 GIADMO CC(C)c1cccc(O[C@H](C)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000410325951 823463651 /nfs/dbraw/zinc/46/36/51/823463651.db2.gz AZXKKOSFGOBWQX-DLBZAZTESA-N 1 1 386.561 4.202 20 0 GIADMO CC(C)c1cccc(O[C@H](C)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000410325951 823463654 /nfs/dbraw/zinc/46/36/54/823463654.db2.gz AZXKKOSFGOBWQX-DLBZAZTESA-N 1 1 386.561 4.202 20 0 GIADMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccc(C(=O)NC4CC4)cc3)c2c1 ZINC000027541058 820257571 /nfs/dbraw/zinc/25/75/71/820257571.db2.gz UPWQHTOGUQIIHW-UHFFFAOYSA-N 1 1 390.483 4.078 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1F ZINC000027537993 820257760 /nfs/dbraw/zinc/25/77/60/820257760.db2.gz SEHYCDQJFCMKMX-LBPRGKRZSA-N 1 1 395.272 4.056 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1F ZINC000027537993 820257772 /nfs/dbraw/zinc/25/77/72/820257772.db2.gz SEHYCDQJFCMKMX-LBPRGKRZSA-N 1 1 395.272 4.056 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569135 820259991 /nfs/dbraw/zinc/25/99/91/820259991.db2.gz ZFHVLYYLPQRDER-FQEVSTJZSA-N 1 1 393.531 4.101 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569135 820259997 /nfs/dbraw/zinc/25/99/97/820259997.db2.gz ZFHVLYYLPQRDER-FQEVSTJZSA-N 1 1 393.531 4.101 20 0 GIADMO COCC[N@@H+](C)CCCNC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000058881311 823466090 /nfs/dbraw/zinc/46/60/90/823466090.db2.gz NEOMKDHSYWYIBC-UHFFFAOYSA-N 1 1 391.899 4.222 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cc2coc3cc4c(cc23)CCC4)C1 ZINC000058883998 823466407 /nfs/dbraw/zinc/46/64/07/823466407.db2.gz VLCQZWPUJKXYMR-FVJLSDCUSA-N 1 1 380.532 4.328 20 0 GIADMO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OC ZINC000058883623 823466622 /nfs/dbraw/zinc/46/66/22/823466622.db2.gz NEGDFHKVQYESKW-ZGCYLVEQSA-N 1 1 398.547 4.137 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000177458665 823467395 /nfs/dbraw/zinc/46/73/95/823467395.db2.gz MTZHEDXMSZDXDF-OALUTQOASA-N 1 1 375.440 4.154 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCCc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000573222412 823467420 /nfs/dbraw/zinc/46/74/20/823467420.db2.gz NWEKQHGQAXEGHB-DYESRHJHSA-N 1 1 396.560 4.154 20 0 GIADMO COc1ccc(CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000410342970 823468038 /nfs/dbraw/zinc/46/80/38/823468038.db2.gz CZIKRTQPIXCCSO-IBGZPJMESA-N 1 1 395.547 4.112 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2)C(C)C)cc1OC ZINC000027931470 820298242 /nfs/dbraw/zinc/29/82/42/820298242.db2.gz ZTNZBSVRYDKPPJ-NRFANRHFSA-N 1 1 396.531 4.278 20 0 GIADMO COc1cccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410343453 823468543 /nfs/dbraw/zinc/46/85/43/823468543.db2.gz GQZBDMPGVZODFZ-SFHVURJKSA-N 1 1 381.520 4.069 20 0 GIADMO C[C@@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460658955 823469134 /nfs/dbraw/zinc/46/91/34/823469134.db2.gz UFZAMSUWXOCWEG-QZTJIDSGSA-N 1 1 385.552 4.022 20 0 GIADMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000028276021 820321896 /nfs/dbraw/zinc/32/18/96/820321896.db2.gz LXKRWPJFRWQSRX-AWEZNQCLSA-N 1 1 383.442 4.024 20 0 GIADMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000028276021 820321907 /nfs/dbraw/zinc/32/19/07/820321907.db2.gz LXKRWPJFRWQSRX-AWEZNQCLSA-N 1 1 383.442 4.024 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000123147318 823469940 /nfs/dbraw/zinc/46/99/40/823469940.db2.gz KXKHAPLUCQVYRO-UHFFFAOYSA-N 1 1 397.906 4.228 20 0 GIADMO CC[C@H](CNC(=O)N(C)Cc1cccc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000028391711 820332100 /nfs/dbraw/zinc/33/21/00/820332100.db2.gz GVEJPRYZQVYZPI-OAQYLSRUSA-N 1 1 385.939 4.318 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000123152410 823470799 /nfs/dbraw/zinc/47/07/99/823470799.db2.gz JAJZOVGPXYLSDE-IIBYNOLFSA-N 1 1 375.476 4.183 20 0 GIADMO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2cccc(OC)c2)c2ccccc2)cc1 ZINC000028622041 820345856 /nfs/dbraw/zinc/34/58/56/820345856.db2.gz PNZJQADSUFALMB-QFIPXVFZSA-N 1 1 376.456 4.173 20 0 GIADMO C[C@@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000410357297 823472763 /nfs/dbraw/zinc/47/27/63/823472763.db2.gz DGMPIZWUMOQWQG-RBUKOAKNSA-N 1 1 383.536 4.475 20 0 GIADMO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(OC(F)F)cc1 ZINC000028852427 820364126 /nfs/dbraw/zinc/36/41/26/820364126.db2.gz DCLKPSHKEBOFMG-FQEVSTJZSA-N 1 1 388.458 4.304 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cnc2c(F)cccc2c1 ZINC000573271448 823473753 /nfs/dbraw/zinc/47/37/53/823473753.db2.gz LPFQIMLZDXRIMZ-KRWDZBQOSA-N 1 1 377.463 4.111 20 0 GIADMO O=C(CC[NH+]1CCN(Cc2cccc3ccccc32)CC1)Nc1ccccc1F ZINC000028887616 820366759 /nfs/dbraw/zinc/36/67/59/820366759.db2.gz GTZURPZGQOCCAX-UHFFFAOYSA-N 1 1 391.490 4.125 20 0 GIADMO Cc1ccc(O)c(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000028885606 820366961 /nfs/dbraw/zinc/36/69/61/820366961.db2.gz BCZPELJZQFZCDY-UHFFFAOYSA-N 1 1 392.421 4.068 20 0 GIADMO Cc1cccc2sc(NC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000028888222 820367262 /nfs/dbraw/zinc/36/72/62/820367262.db2.gz XGBSLZLCMJKCPL-HOTGVXAUSA-N 1 1 395.528 4.466 20 0 GIADMO O=C(CCc1cccc(Cl)c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573274227 823474161 /nfs/dbraw/zinc/47/41/61/823474161.db2.gz NIULMGPEMZBCFC-HSZRJFAPSA-N 1 1 382.935 4.397 20 0 GIADMO O=C(CCc1cccc(Cl)c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573274228 823474211 /nfs/dbraw/zinc/47/42/11/823474211.db2.gz NIULMGPEMZBCFC-QHCPKHFHSA-N 1 1 382.935 4.397 20 0 GIADMO Cc1cccc2c1CC[C@H]2[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000573273849 823474225 /nfs/dbraw/zinc/47/42/25/823474225.db2.gz CCVJNSFECTYIKX-GOSISDBHSA-N 1 1 383.293 4.115 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccn(-c4ccccc4)n3)cc2)C1 ZINC000058949510 823474262 /nfs/dbraw/zinc/47/42/62/823474262.db2.gz DUEICNJMCKDQEG-IBGZPJMESA-N 1 1 388.515 4.034 20 0 GIADMO COc1ccc(CCC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1F ZINC000058948740 823474267 /nfs/dbraw/zinc/47/42/67/823474267.db2.gz SBBHZLWZYDUAGN-SFHVURJKSA-N 1 1 398.522 4.315 20 0 GIADMO CO[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000410369307 823477425 /nfs/dbraw/zinc/47/74/25/823477425.db2.gz BCVIBFCXQOFZNS-WMZHIEFXSA-N 1 1 395.547 4.248 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000058950431 823474684 /nfs/dbraw/zinc/47/46/84/823474684.db2.gz DGEBQVOFILHNHE-ZHRRBRCNSA-N 1 1 398.934 4.334 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000058952570 823474997 /nfs/dbraw/zinc/47/49/97/823474997.db2.gz KWNSJMMIWVZEMC-GPZRYRNASA-N 1 1 393.487 4.299 20 0 GIADMO Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000029050734 820387037 /nfs/dbraw/zinc/38/70/37/820387037.db2.gz WYOPGROTYJLOEE-HXUWFJFHSA-N 1 1 397.906 4.265 20 0 GIADMO O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000029090820 820391476 /nfs/dbraw/zinc/39/14/76/820391476.db2.gz KQEQQTFLMPMJFQ-UHFFFAOYSA-N 1 1 394.906 4.078 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1Cl ZINC000029116418 820395456 /nfs/dbraw/zinc/39/54/56/820395456.db2.gz VRNYMMCQYSKZDO-UHFFFAOYSA-N 1 1 392.858 4.099 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1Cl ZINC000029116418 820395467 /nfs/dbraw/zinc/39/54/67/820395467.db2.gz VRNYMMCQYSKZDO-UHFFFAOYSA-N 1 1 392.858 4.099 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000029199195 820410071 /nfs/dbraw/zinc/41/00/71/820410071.db2.gz CDONLIXKHUBWJC-LJQANCHMSA-N 1 1 393.531 4.290 20 0 GIADMO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000177497316 823476882 /nfs/dbraw/zinc/47/68/82/823476882.db2.gz DMABOEXMTDIXCF-INIZCTEOSA-N 1 1 376.566 4.407 20 0 GIADMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000189727868 823483020 /nfs/dbraw/zinc/48/30/20/823483020.db2.gz KHTQFXUWFFFYEB-DEOSSOPVSA-N 1 1 393.531 4.162 20 0 GIADMO O=C(CCCc1nc2ccccc2[nH]1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029258581 820421893 /nfs/dbraw/zinc/42/18/93/820421893.db2.gz DRFVRFQCIUYIIL-UHFFFAOYSA-N 1 1 397.548 4.357 20 0 GIADMO COc1ncc(C[N@H+](C)[C@@H]2CCSc3ccc(Br)cc32)c(C)n1 ZINC000410371615 823478600 /nfs/dbraw/zinc/47/86/00/823478600.db2.gz TUESVWVAZHZETB-OAHLLOKOSA-N 1 1 394.338 4.225 20 0 GIADMO COc1ncc(C[N@@H+](C)[C@@H]2CCSc3ccc(Br)cc32)c(C)n1 ZINC000410371615 823478604 /nfs/dbraw/zinc/47/86/04/823478604.db2.gz TUESVWVAZHZETB-OAHLLOKOSA-N 1 1 394.338 4.225 20 0 GIADMO O=C(NCCc1cc(F)ccc1F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000177504909 823478697 /nfs/dbraw/zinc/47/86/97/823478697.db2.gz VAHGVAFPXUZAIQ-SEJPIABJSA-N 1 1 399.485 4.002 20 0 GIADMO CSc1ccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000410375946 823480284 /nfs/dbraw/zinc/48/02/84/823480284.db2.gz QPDWKFCPLIHONR-CALCHBBNSA-N 1 1 399.560 4.339 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2ccccc2C1 ZINC000410376892 823480607 /nfs/dbraw/zinc/48/06/07/823480607.db2.gz YLLSCHFFFHTNNP-IBGZPJMESA-N 1 1 377.532 4.329 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 ZINC000177518315 823480984 /nfs/dbraw/zinc/48/09/84/823480984.db2.gz GOQSDJZVABWRST-KRWDZBQOSA-N 1 1 395.507 4.136 20 0 GIADMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000410388563 823483610 /nfs/dbraw/zinc/48/36/10/823483610.db2.gz KIVSMRLZVPNLRG-SFHVURJKSA-N 1 1 392.506 4.096 20 0 GIADMO Cc1cccc(COc2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000410387491 823483387 /nfs/dbraw/zinc/48/33/87/823483387.db2.gz GRDTVUCQBWZKFP-YADHBBJMSA-N 1 1 393.531 4.000 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Nc2cccc(OCCF)c2)CC[N@H+]1Cc1ccccc1 ZINC000123227114 823481220 /nfs/dbraw/zinc/48/12/20/823481220.db2.gz QLRAJPFFGXXMKV-YLJYHZDGSA-N 1 1 385.483 4.210 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC000059003789 823481642 /nfs/dbraw/zinc/48/16/42/823481642.db2.gz HNHBELKQVNMNQJ-UHFFFAOYSA-N 1 1 395.385 4.306 20 0 GIADMO Cc1cccc(COc2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000410387488 823483427 /nfs/dbraw/zinc/48/34/27/823483427.db2.gz GRDTVUCQBWZKFP-FCHUYYIVSA-N 1 1 393.531 4.000 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000059004295 823482062 /nfs/dbraw/zinc/48/20/62/823482062.db2.gz BRCJHDRUYSNWPG-AWEZNQCLSA-N 1 1 387.351 4.340 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000177525516 823482279 /nfs/dbraw/zinc/48/22/79/823482279.db2.gz IKDWHQPZJCQHEQ-MRXNPFEDSA-N 1 1 386.471 4.209 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cccc(OC(F)F)c1 ZINC000029635667 820488919 /nfs/dbraw/zinc/48/89/19/820488919.db2.gz JAUWYKNKADXKMY-UHFFFAOYSA-N 1 1 381.448 4.373 20 0 GIADMO Cc1cc(C)c(OCC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c(C)c1 ZINC000029633946 820489014 /nfs/dbraw/zinc/48/90/14/820489014.db2.gz RMOPHXYYJVKWAU-UHFFFAOYSA-N 1 1 387.549 4.462 20 0 GIADMO O=C(COc1ccc(Cl)cc1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029635869 820489077 /nfs/dbraw/zinc/48/90/77/820489077.db2.gz CGWIXIQLVJLTIN-UHFFFAOYSA-N 1 1 379.913 4.190 20 0 GIADMO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 ZINC000460693017 823482568 /nfs/dbraw/zinc/48/25/68/823482568.db2.gz MAZDIKFNDUMUMW-OAHLLOKOSA-N 1 1 392.877 4.456 20 0 GIADMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 ZINC000460693017 823482572 /nfs/dbraw/zinc/48/25/72/823482572.db2.gz MAZDIKFNDUMUMW-OAHLLOKOSA-N 1 1 392.877 4.456 20 0 GIADMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029718321 820505841 /nfs/dbraw/zinc/50/58/41/820505841.db2.gz NLEJLJSGEBGOLI-TZIWHRDSSA-N 1 1 382.467 4.369 20 0 GIADMO CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000573366327 823485034 /nfs/dbraw/zinc/48/50/34/823485034.db2.gz NPHQLGDIYAGTOF-UHFFFAOYSA-N 1 1 380.532 4.428 20 0 GIADMO C[NH+]1CCC(N(Cc2ccccc2)Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000573366327 823485040 /nfs/dbraw/zinc/48/50/40/823485040.db2.gz NPHQLGDIYAGTOF-UHFFFAOYSA-N 1 1 380.532 4.428 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000123278056 823489504 /nfs/dbraw/zinc/48/95/04/823489504.db2.gz FQEMXBVDPORMMY-HOTGVXAUSA-N 1 1 378.476 4.350 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000029810940 820522887 /nfs/dbraw/zinc/52/28/87/820522887.db2.gz XGDIJDKMHAALST-HXUWFJFHSA-N 1 1 394.906 4.143 20 0 GIADMO COc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)o2)cc1 ZINC000029827705 820526830 /nfs/dbraw/zinc/52/68/30/820526830.db2.gz BWZWFPUTENDCOF-MRXNPFEDSA-N 1 1 390.443 4.266 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460708199 823489647 /nfs/dbraw/zinc/48/96/47/823489647.db2.gz IBYGJBLTFPRHID-LJQANCHMSA-N 1 1 381.520 4.045 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cn(C)c4ccc(F)cc34)C2)s1 ZINC000573378448 823486397 /nfs/dbraw/zinc/48/63/97/823486397.db2.gz IHINWNSLSXCHLM-INIZCTEOSA-N 1 1 399.535 4.281 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCCOc1ccccc1 ZINC000029854432 820532751 /nfs/dbraw/zinc/53/27/51/820532751.db2.gz VXCLUSHTAQVTJU-OAHLLOKOSA-N 1 1 378.419 4.016 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1csc(-c2ccc(F)cc2)n1 ZINC000029897941 820542917 /nfs/dbraw/zinc/54/29/17/820542917.db2.gz LXJJHIODBOCGQM-SFHVURJKSA-N 1 1 399.491 4.499 20 0 GIADMO CC[C@@H](CNC(=O)CCCc1c[nH]c2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000029909077 820545837 /nfs/dbraw/zinc/54/58/37/820545837.db2.gz NICHACJNNWSGNE-QFIPXVFZSA-N 1 1 389.543 4.444 20 0 GIADMO CC[C@@H](CNC(=O)CCc1nc2ccccc2s1)[N@H+]1CCc2ccccc2C1 ZINC000029909308 820546156 /nfs/dbraw/zinc/54/61/56/820546156.db2.gz YNFPUHXCDXOXTF-IBGZPJMESA-N 1 1 393.556 4.182 20 0 GIADMO CC[N@H+](CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)C1CC1 ZINC000029912933 820546764 /nfs/dbraw/zinc/54/67/64/820546764.db2.gz YEFRQTMXPFGLIN-GOSISDBHSA-N 1 1 377.444 4.188 20 0 GIADMO CC[N@@H+](CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)C1CC1 ZINC000029912933 820546770 /nfs/dbraw/zinc/54/67/70/820546770.db2.gz YEFRQTMXPFGLIN-GOSISDBHSA-N 1 1 377.444 4.188 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000029936252 820550722 /nfs/dbraw/zinc/55/07/22/820550722.db2.gz CRDXCMHBWAFHMB-NRFANRHFSA-N 1 1 382.460 4.408 20 0 GIADMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000177554739 823489918 /nfs/dbraw/zinc/48/99/18/823489918.db2.gz YGUMAVBRRQMICC-DYESRHJHSA-N 1 1 391.540 4.451 20 0 GIADMO Cc1c(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000030007407 820567760 /nfs/dbraw/zinc/56/77/60/820567760.db2.gz OMCOLEDRHYYODM-MRXNPFEDSA-N 1 1 382.464 4.333 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](c2ccccc2)C1 ZINC000030029973 820571583 /nfs/dbraw/zinc/57/15/83/820571583.db2.gz RNFUBLVZTUHTKJ-FQEVSTJZSA-N 1 1 395.503 4.163 20 0 GIADMO C[N@H+]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)[C@H](c2ccccc2)C1 ZINC000030029973 820571589 /nfs/dbraw/zinc/57/15/89/820571589.db2.gz RNFUBLVZTUHTKJ-FQEVSTJZSA-N 1 1 395.503 4.163 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)C1 ZINC000177529863 823483707 /nfs/dbraw/zinc/48/37/07/823483707.db2.gz ZUQUESCJFFPGIN-HXUWFJFHSA-N 1 1 397.567 4.250 20 0 GIADMO O=C(Nc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1)c1ccccc1 ZINC000573355241 823483674 /nfs/dbraw/zinc/48/36/74/823483674.db2.gz IXAUVEVXUZEHJL-RJGXRXQPSA-N 1 1 377.532 4.339 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cc2c(cc1Br)OCCO2 ZINC000177569811 823493518 /nfs/dbraw/zinc/49/35/18/823493518.db2.gz ZIFMZSDNGKKFRL-SNVBAGLBSA-N 1 1 383.673 4.120 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000030154283 820580485 /nfs/dbraw/zinc/58/04/85/820580485.db2.gz RHVPXLZGGRNMNA-UHFFFAOYSA-N 1 1 379.479 4.497 20 0 GIADMO CCc1cccc(C)c1NC(=O)CN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000030153795 820580596 /nfs/dbraw/zinc/58/05/96/820580596.db2.gz QMQYQZUFPKAEAJ-UHFFFAOYSA-N 1 1 379.548 4.012 20 0 GIADMO CC(C)c1ccc(-c2nc(C[NH+]3CCC(NC(=O)C4CC4)CC3)cs2)cc1 ZINC000030283121 820595142 /nfs/dbraw/zinc/59/51/42/820595142.db2.gz SDCXGIIEGNZFOL-UHFFFAOYSA-N 1 1 383.561 4.424 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(C2SCCCS2)cc1 ZINC000030318925 820600971 /nfs/dbraw/zinc/60/09/71/820600971.db2.gz VHTKHEJAOXOICS-UHFFFAOYSA-N 1 1 398.597 4.343 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000573413333 823490974 /nfs/dbraw/zinc/49/09/74/823490974.db2.gz ZERXGXXOGFFCMI-DHIUTWEWSA-N 1 1 379.548 4.390 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)ccc1OC(C)C ZINC000030454976 820618684 /nfs/dbraw/zinc/61/86/84/820618684.db2.gz APUIPTWGIOBNJR-KSFYIVLOSA-N 1 1 382.504 4.153 20 0 GIADMO COc1ccc(O[C@H](C)C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000059326533 823492139 /nfs/dbraw/zinc/49/21/39/823492139.db2.gz WLVIDHGXKVCFEA-ZWKOTPCHSA-N 1 1 382.504 4.476 20 0 GIADMO C[N@@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000030536942 820634764 /nfs/dbraw/zinc/63/47/64/820634764.db2.gz BGRRCNYGHSTSDM-MRXNPFEDSA-N 1 1 390.277 4.067 20 0 GIADMO C[N@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000030536942 820634768 /nfs/dbraw/zinc/63/47/68/820634768.db2.gz BGRRCNYGHSTSDM-MRXNPFEDSA-N 1 1 390.277 4.067 20 0 GIADMO C[C@@H](c1nn(CN2CCCCC2)c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000030542570 820636431 /nfs/dbraw/zinc/63/64/31/820636431.db2.gz YJDBDMRJKUIPSG-SFHVURJKSA-N 1 1 385.581 4.394 20 0 GIADMO C[C@@H]1C[N@@H+](CCCCC2CCOCC2)CCN1CCCCC1CCOCC1 ZINC000410422108 823492591 /nfs/dbraw/zinc/49/25/91/823492591.db2.gz VHLZGSWRDMYLJR-OAQYLSRUSA-N 1 1 380.617 4.186 20 0 GIADMO C[C@@H]1CN(CCCCC2CCOCC2)CC[N@@H+]1CCCCC1CCOCC1 ZINC000410422108 823492595 /nfs/dbraw/zinc/49/25/95/823492595.db2.gz VHLZGSWRDMYLJR-OAQYLSRUSA-N 1 1 380.617 4.186 20 0 GIADMO C[C@@H]1CN(CCCCC2CCOCC2)CC[N@H+]1CCCCC1CCOCC1 ZINC000410422108 823492599 /nfs/dbraw/zinc/49/25/99/823492599.db2.gz VHLZGSWRDMYLJR-OAQYLSRUSA-N 1 1 380.617 4.186 20 0 GIADMO O=C(Cc1ccc2c(c1)CCCC2)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000059350897 823493085 /nfs/dbraw/zinc/49/30/85/823493085.db2.gz CTMRWZASEDCOKW-UHFFFAOYSA-N 1 1 398.497 4.167 20 0 GIADMO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000123303798 823493389 /nfs/dbraw/zinc/49/33/89/823493389.db2.gz DELQJDHGDCIFTH-MGPUTAFESA-N 1 1 381.501 4.248 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)c2ccc(Br)cc2)C1 ZINC000124056665 823563850 /nfs/dbraw/zinc/56/38/50/823563850.db2.gz PTXVFWZSXNLPCL-CVEARBPZSA-N 1 1 381.358 4.037 20 0 GIADMO Cc1csc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)n1 ZINC000030636242 820655698 /nfs/dbraw/zinc/65/56/98/820655698.db2.gz ORVWREMIDBHVEX-UHFFFAOYSA-N 1 1 375.501 4.048 20 0 GIADMO FC(F)(F)c1ccc(-n2nnnc2C[N@H+](CC2CCCCC2)C2CC2)cc1 ZINC000059423139 823496040 /nfs/dbraw/zinc/49/60/40/823496040.db2.gz GXNPQAJQBFVAHY-UHFFFAOYSA-N 1 1 379.430 4.226 20 0 GIADMO FC(F)(F)c1ccc(-n2nnnc2C[N@@H+](CC2CCCCC2)C2CC2)cc1 ZINC000059423139 823496043 /nfs/dbraw/zinc/49/60/43/823496043.db2.gz GXNPQAJQBFVAHY-UHFFFAOYSA-N 1 1 379.430 4.226 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]CCCNc2ccccn2)cs1)c1ccc(C)cc1 ZINC000177589344 823497232 /nfs/dbraw/zinc/49/72/32/823497232.db2.gz JPQJSMUZHNFMRT-UHFFFAOYSA-N 1 1 395.532 4.123 20 0 GIADMO c1cc(-c2nc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)cs2)cs1 ZINC000177608904 823500363 /nfs/dbraw/zinc/50/03/63/823500363.db2.gz PPSJZZZCZDFWJR-GOSISDBHSA-N 1 1 378.563 4.422 20 0 GIADMO CCCC[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H](C)c1ccccc1 ZINC000123341384 823498893 /nfs/dbraw/zinc/49/88/93/823498893.db2.gz DBRFBYMZDRTZQA-HNNXBMFYSA-N 1 1 395.532 4.006 20 0 GIADMO CCCC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H](C)c1ccccc1 ZINC000123341384 823498898 /nfs/dbraw/zinc/49/88/98/823498898.db2.gz DBRFBYMZDRTZQA-HNNXBMFYSA-N 1 1 395.532 4.006 20 0 GIADMO Cc1csc(C(C)(C)NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000123342254 823498983 /nfs/dbraw/zinc/49/89/83/823498983.db2.gz LQBATOGHBHQFMH-AWEZNQCLSA-N 1 1 383.521 4.241 20 0 GIADMO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000030959235 820711536 /nfs/dbraw/zinc/71/15/36/820711536.db2.gz MZCDOOSYURVMHX-MRXNPFEDSA-N 1 1 397.519 4.236 20 0 GIADMO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000030959235 820711542 /nfs/dbraw/zinc/71/15/42/820711542.db2.gz MZCDOOSYURVMHX-MRXNPFEDSA-N 1 1 397.519 4.236 20 0 GIADMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000030971284 820712854 /nfs/dbraw/zinc/71/28/54/820712854.db2.gz MBKQCPLOXULPNX-SECBINFHSA-N 1 1 379.220 4.137 20 0 GIADMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000030971282 820713098 /nfs/dbraw/zinc/71/30/98/820713098.db2.gz MBKQCPLOXULPNX-VIFPVBQESA-N 1 1 379.220 4.137 20 0 GIADMO CCCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H](C)c1ccccc1 ZINC000123346653 823499822 /nfs/dbraw/zinc/49/98/22/823499822.db2.gz NJMNRWXSKYVQSB-GOSISDBHSA-N 1 1 381.520 4.190 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000059995675 823504525 /nfs/dbraw/zinc/50/45/25/823504525.db2.gz VDHMZTDZKSXAIB-ZWKOTPCHSA-N 1 1 388.515 4.147 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000189852650 823506195 /nfs/dbraw/zinc/50/61/95/823506195.db2.gz SXNRDXOCDRINNX-UHFFFAOYSA-N 1 1 380.517 4.154 20 0 GIADMO O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460758005 823505217 /nfs/dbraw/zinc/50/52/17/823505217.db2.gz KXZJCPBYTMDCGM-ZJZGAYNASA-N 1 1 389.543 4.096 20 0 GIADMO COc1ccccc1-c1csc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000060031780 823505300 /nfs/dbraw/zinc/50/53/00/823505300.db2.gz QCUVEEKUMIGRBC-LJQANCHMSA-N 1 1 393.512 4.422 20 0 GIADMO COc1ccccc1-c1csc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000060031780 823505306 /nfs/dbraw/zinc/50/53/06/823505306.db2.gz QCUVEEKUMIGRBC-LJQANCHMSA-N 1 1 393.512 4.422 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000410588515 823505586 /nfs/dbraw/zinc/50/55/86/823505586.db2.gz JQIUCAHCDBEAIA-OALUTQOASA-N 1 1 384.545 4.192 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)c2scnc2C(F)(F)F)[C@@H]1c1cccs1 ZINC000410517094 823500869 /nfs/dbraw/zinc/50/08/69/823500869.db2.gz WECQDLYVQIJUTH-CMPLNLGQSA-N 1 1 389.468 4.036 20 0 GIADMO C[C@@H](C1CC1)n1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000189816135 823500982 /nfs/dbraw/zinc/50/09/82/823500982.db2.gz ZOCSLLCVVLISGT-OAIAAZCPSA-N 1 1 393.535 4.171 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(OC2CCOCC2)cc1 ZINC000460741867 823501776 /nfs/dbraw/zinc/50/17/76/823501776.db2.gz NHWULQNPSXSXHP-UHFFFAOYSA-N 1 1 396.531 4.015 20 0 GIADMO Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)Nc2cccc3ccccc32)c1C ZINC000031301112 820788358 /nfs/dbraw/zinc/78/83/58/820788358.db2.gz YQOAJGMULWNXPA-UHFFFAOYSA-N 1 1 389.499 4.356 20 0 GIADMO Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)Nc2cccc3ccccc32)c1C ZINC000031301112 820788362 /nfs/dbraw/zinc/78/83/62/820788362.db2.gz YQOAJGMULWNXPA-UHFFFAOYSA-N 1 1 389.499 4.356 20 0 GIADMO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000177618989 823502564 /nfs/dbraw/zinc/50/25/64/823502564.db2.gz IUMNIHUNSORBIP-IEBWSBKVSA-N 1 1 385.508 4.156 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1 ZINC000060062926 823506531 /nfs/dbraw/zinc/50/65/31/823506531.db2.gz YKSOTCYCLZCQLY-UHFFFAOYSA-N 1 1 396.922 4.216 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+](C)CCc3ccccn3)n2)cc1 ZINC000123406809 823506612 /nfs/dbraw/zinc/50/66/12/823506612.db2.gz FKOBXCLKPWQDDL-MRXNPFEDSA-N 1 1 380.517 4.015 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+](C)CCc3ccccn3)n2)cc1 ZINC000123406809 823506615 /nfs/dbraw/zinc/50/66/15/823506615.db2.gz FKOBXCLKPWQDDL-MRXNPFEDSA-N 1 1 380.517 4.015 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(Cl)cc(Cl)c3)c2)CCO1 ZINC000060064763 823506685 /nfs/dbraw/zinc/50/66/85/823506685.db2.gz ZEXMPFYJAHLKFW-AWEZNQCLSA-N 1 1 393.314 4.144 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(Cl)cc(Cl)c3)c2)CCO1 ZINC000060064763 823506692 /nfs/dbraw/zinc/50/66/92/823506692.db2.gz ZEXMPFYJAHLKFW-AWEZNQCLSA-N 1 1 393.314 4.144 20 0 GIADMO O=C(CCc1ccc(OC(F)F)cc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031543062 820823063 /nfs/dbraw/zinc/82/30/63/820823063.db2.gz VNWOCVPUHPIJNK-IBGZPJMESA-N 1 1 388.458 4.001 20 0 GIADMO CCn1nc(C(C)C)cc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000031783186 820859015 /nfs/dbraw/zinc/85/90/15/820859015.db2.gz BHXAKZKAYKKVBR-UHFFFAOYSA-N 1 1 388.943 4.028 20 0 GIADMO CCn1nc(C(C)C)cc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000031783186 820859026 /nfs/dbraw/zinc/85/90/26/820859026.db2.gz BHXAKZKAYKKVBR-UHFFFAOYSA-N 1 1 388.943 4.028 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000060143066 823510124 /nfs/dbraw/zinc/51/01/24/823510124.db2.gz KZVIKFISMKUNQC-UHFFFAOYSA-N 1 1 380.385 4.111 20 0 GIADMO CCN(CC)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000123454008 823510605 /nfs/dbraw/zinc/51/06/05/823510605.db2.gz IYCMDLXPPNHJIL-MNEFBYGVSA-N 1 1 399.501 4.029 20 0 GIADMO CCN(CC)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000123454008 823510608 /nfs/dbraw/zinc/51/06/08/823510608.db2.gz IYCMDLXPPNHJIL-MNEFBYGVSA-N 1 1 399.501 4.029 20 0 GIADMO CCOc1cccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000060185081 823511087 /nfs/dbraw/zinc/51/10/87/823511087.db2.gz RHUXYCWIRLZPET-PXNSSMCTSA-N 1 1 384.495 4.314 20 0 GIADMO Cc1ccc(CCC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000031962353 820879949 /nfs/dbraw/zinc/87/99/49/820879949.db2.gz PWHSCIZBOUTUIU-HNNXBMFYSA-N 1 1 376.953 4.206 20 0 GIADMO Cc1ccc(CCC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1Cl ZINC000031962353 820879957 /nfs/dbraw/zinc/87/99/57/820879957.db2.gz PWHSCIZBOUTUIU-HNNXBMFYSA-N 1 1 376.953 4.206 20 0 GIADMO CCc1ccc(CN(C)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000060244758 823513176 /nfs/dbraw/zinc/51/31/76/823513176.db2.gz ZVXTURHHFQVUKU-FQEVSTJZSA-N 1 1 385.577 4.364 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)CCCSc2ccc(Br)cc2)CC[N@H+]1C ZINC000123487806 823513736 /nfs/dbraw/zinc/51/37/36/823513736.db2.gz RHZCKXSQPAMQJJ-GDBMZVCRSA-N 1 1 399.398 4.263 20 0 GIADMO O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000189918766 823513875 /nfs/dbraw/zinc/51/38/75/823513875.db2.gz ZZLAEOIUVJLWGX-UHFFFAOYSA-N 1 1 387.915 4.008 20 0 GIADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC000032268233 820905785 /nfs/dbraw/zinc/90/57/85/820905785.db2.gz VBTVZIWIRZQJBQ-NRFANRHFSA-N 1 1 398.572 4.066 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000032367720 820926629 /nfs/dbraw/zinc/92/66/29/820926629.db2.gz SDOQMQSNOFIOQI-PMACEKPBSA-N 1 1 392.543 4.316 20 0 GIADMO COCc1ccc(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)cc1 ZINC000123502725 823515356 /nfs/dbraw/zinc/51/53/56/823515356.db2.gz HDEVEACCLVGWQN-UHFFFAOYSA-N 1 1 381.520 4.178 20 0 GIADMO C[C@@H](CNC(=O)c1csc(-c2cccs2)n1)[N@@H+]1CCc2sccc2C1 ZINC000032428965 820941919 /nfs/dbraw/zinc/94/19/19/820941919.db2.gz SXRBUDLXSJOTCG-LBPRGKRZSA-N 1 1 389.571 4.110 20 0 GIADMO C[C@@H](CNC(=O)c1csc(-c2cccs2)n1)[N@H+]1CCc2sccc2C1 ZINC000032428965 820941924 /nfs/dbraw/zinc/94/19/24/820941924.db2.gz SXRBUDLXSJOTCG-LBPRGKRZSA-N 1 1 389.571 4.110 20 0 GIADMO Cc1ccc(C[N@H+](C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cc1 ZINC000032510836 820962943 /nfs/dbraw/zinc/96/29/43/820962943.db2.gz OOHZZRUDIWVUDE-IBGZPJMESA-N 1 1 393.512 4.459 20 0 GIADMO Cc1ccc(C[N@@H+](C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cc1 ZINC000032510836 820962947 /nfs/dbraw/zinc/96/29/47/820962947.db2.gz OOHZZRUDIWVUDE-IBGZPJMESA-N 1 1 393.512 4.459 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+](C)[C@H]3CCCc4ccccc43)cc(=O)oc2c1 ZINC000032512303 820963921 /nfs/dbraw/zinc/96/39/21/820963921.db2.gz RWVKOBAPSRCZRX-NRFANRHFSA-N 1 1 376.456 4.261 20 0 GIADMO Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000060351015 823518277 /nfs/dbraw/zinc/51/82/77/823518277.db2.gz DZZGQIMGGNRBFW-OAQYLSRUSA-N 1 1 388.471 4.180 20 0 GIADMO c1ccc(COc2ccc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)cc2)nc1 ZINC000123532156 823518288 /nfs/dbraw/zinc/51/82/88/823518288.db2.gz JSPKYHJUUWPCDN-IRLDBZIGSA-N 1 1 384.545 4.147 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 ZINC000123581795 823523574 /nfs/dbraw/zinc/52/35/74/823523574.db2.gz PVOGSCCAPUASLY-UHFFFAOYSA-N 1 1 375.538 4.296 20 0 GIADMO Cc1[nH+]ccn1CCCC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000060359169 823519531 /nfs/dbraw/zinc/51/95/31/823519531.db2.gz YVMKTUISEWANMY-OAQYLSRUSA-N 1 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PNYHYWLDEBMFQE-DLBZAZTESA-N 1 1 395.503 4.006 20 0 GIADMO C[C@@H](CNC(=O)C(C)(C)c1ccc(Br)cc1)[N@H+]1CCCC[C@H]1C ZINC000060516531 823537418 /nfs/dbraw/zinc/53/74/18/823537418.db2.gz GURMRQPMGQJOFI-CABCVRRESA-N 1 1 381.358 4.106 20 0 GIADMO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000123764826 823538604 /nfs/dbraw/zinc/53/86/04/823538604.db2.gz NIAJDZXFZKFPDR-KRWDZBQOSA-N 1 1 388.556 4.079 20 0 GIADMO CC[NH+](CC)[C@H](C(=O)N(C)c1ccc(F)cn1)c1cccc(C(F)(F)F)c1 ZINC000411056053 823538633 /nfs/dbraw/zinc/53/86/33/823538633.db2.gz YCYANBXNEDTDSF-KRWDZBQOSA-N 1 1 383.389 4.285 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccccc2SC2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000190118274 823539654 /nfs/dbraw/zinc/53/96/54/823539654.db2.gz QEJRFZZTTCRSHQ-MRXNPFEDSA-N 1 1 391.581 4.030 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2sccc2C)C1 ZINC000177879979 823540362 /nfs/dbraw/zinc/54/03/62/823540362.db2.gz QWYOZCVJVMNLQT-PMACEKPBSA-N 1 1 385.577 4.324 20 0 GIADMO CCN(C(=O)Cc1ccc(C)c(OC)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543776 823540366 /nfs/dbraw/zinc/54/03/66/823540366.db2.gz BAQCBMCIRZNYOJ-SIKLNZKXSA-N 1 1 380.532 4.230 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132521 821272379 /nfs/dbraw/zinc/27/23/79/821272379.db2.gz MMJBGLMARJPCAK-HOTGVXAUSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132521 821272388 /nfs/dbraw/zinc/27/23/88/821272388.db2.gz MMJBGLMARJPCAK-HOTGVXAUSA-N 1 1 381.451 4.482 20 0 GIADMO CCc1ccc2c(C[N@H+](C)Cc3ccc(Br)o3)cc(=O)oc2c1 ZINC000042146521 821274703 /nfs/dbraw/zinc/27/47/03/821274703.db2.gz RIBCMVFHAAEAPH-UHFFFAOYSA-N 1 1 376.250 4.343 20 0 GIADMO CCc1ccc2c(C[N@@H+](C)Cc3ccc(Br)o3)cc(=O)oc2c1 ZINC000042146521 821274711 /nfs/dbraw/zinc/27/47/11/821274711.db2.gz RIBCMVFHAAEAPH-UHFFFAOYSA-N 1 1 376.250 4.343 20 0 GIADMO Cc1cc(F)ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123785732 823540730 /nfs/dbraw/zinc/54/07/30/823540730.db2.gz KKGPOKVFUVETKZ-IFXJQAMLSA-N 1 1 378.850 4.349 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1 ZINC000060547313 823540760 /nfs/dbraw/zinc/54/07/60/823540760.db2.gz YIICMSGHNISNQN-UHFFFAOYSA-N 1 1 395.522 4.024 20 0 GIADMO CCC[C@@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000042860118 821339565 /nfs/dbraw/zinc/33/95/65/821339565.db2.gz ODMVXPVFBVIOAX-ISKFKSNPSA-N 1 1 380.532 4.090 20 0 GIADMO Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccccc2OCc2cccnc2)c(C)c1 ZINC000042186244 821281324 /nfs/dbraw/zinc/28/13/24/821281324.db2.gz FLDLQYDOMHOXMM-UHFFFAOYSA-N 1 1 389.499 4.314 20 0 GIADMO COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)cn1 ZINC000042202914 821283386 /nfs/dbraw/zinc/28/33/86/821283386.db2.gz GEJCHOORMZMNPS-UHFFFAOYSA-N 1 1 391.302 4.240 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000042330706 821301701 /nfs/dbraw/zinc/30/17/01/821301701.db2.gz DMKHUTZGNKCMPV-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000042330706 821301707 /nfs/dbraw/zinc/30/17/07/821301707.db2.gz DMKHUTZGNKCMPV-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)c(OC)c1 ZINC000042385039 821305812 /nfs/dbraw/zinc/30/58/12/821305812.db2.gz CBDJAGPSAPEUNO-MRXNPFEDSA-N 1 1 378.472 4.316 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CSc1nc2ccccc2o1 ZINC000043086373 821359270 /nfs/dbraw/zinc/35/92/70/821359270.db2.gz VBIJUKZJOUHNJB-UHFFFAOYSA-N 1 1 383.517 4.077 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000043086979 821359461 /nfs/dbraw/zinc/35/94/61/821359461.db2.gz YXBLWVXIXROMEP-UHFFFAOYSA-N 1 1 379.426 4.179 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccco1 ZINC000043137525 821366481 /nfs/dbraw/zinc/36/64/81/821366481.db2.gz OFTXXVVCHPVWSV-HZPDHXFCSA-N 1 1 384.505 4.039 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000180628937 821374675 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20 0 GIADMO COc1ccccc1[C@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000180695082 821399336 /nfs/dbraw/zinc/39/93/36/821399336.db2.gz NZLPWOMXPLLGEM-RUZDIDTESA-N 1 1 387.527 4.434 20 0 GIADMO CN(C)c1ccc(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000043391004 821401146 /nfs/dbraw/zinc/40/11/46/821401146.db2.gz QBEAERWPUDGCDA-UHFFFAOYSA-N 1 1 395.551 4.234 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000180716218 821415047 /nfs/dbraw/zinc/41/50/47/821415047.db2.gz KVVBRKKGASOYKL-FSPWUOQZSA-N 1 1 383.458 4.281 20 0 GIADMO O=C(Nc1cc(Cl)ccc1F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000043527887 821422638 /nfs/dbraw/zinc/42/26/38/821422638.db2.gz LDOBUVZCXQTEDM-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO O=C(Nc1cc(Cl)ccc1F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000043527887 821422643 /nfs/dbraw/zinc/42/26/43/821422643.db2.gz LDOBUVZCXQTEDM-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO CC(C)OCc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043544910 821424127 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PJTHWPDATAZCOF-HSZRJFAPSA-N 1 1 389.478 4.241 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1csc(Br)c1 ZINC000043728851 821448355 /nfs/dbraw/zinc/44/83/55/821448355.db2.gz FRASHGVIYCVQKN-CYBMUJFWSA-N 1 1 383.311 4.061 20 0 GIADMO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043735289 821449454 /nfs/dbraw/zinc/44/94/54/821449454.db2.gz RVAKEMPIWATLFB-NVXWUHKLSA-N 1 1 376.884 4.044 20 0 GIADMO CCOc1ccc([C@@H]([NH2+][C@@H]2CCN(C(=O)CC)C2)c2ccccc2Cl)cc1 ZINC000180778389 821451926 /nfs/dbraw/zinc/45/19/26/821451926.db2.gz LVJOSMAZCCHDEU-VGOFRKELSA-N 1 1 386.923 4.429 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCCSc3ccccc3)cc2)C[C@H](C)O1 ZINC000043781742 821457804 /nfs/dbraw/zinc/45/78/04/821457804.db2.gz ANVWQYQBDJGAHJ-KDURUIRLSA-N 1 1 398.572 4.208 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCCSc3ccccc3)cc2)C[C@H](C)O1 ZINC000043781742 821457807 /nfs/dbraw/zinc/45/78/07/821457807.db2.gz ANVWQYQBDJGAHJ-KDURUIRLSA-N 1 1 398.572 4.208 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)C[C@H](C)O1 ZINC000043781801 821457821 /nfs/dbraw/zinc/45/78/21/821457821.db2.gz ZTPZKYWZJSQNFW-PMACEKPBSA-N 1 1 392.543 4.148 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)C[C@H](C)O1 ZINC000043781799 821457889 /nfs/dbraw/zinc/45/78/89/821457889.db2.gz ZTPZKYWZJSQNFW-BGYRXZFFSA-N 1 1 392.543 4.148 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)C[C@H](C)O1 ZINC000043781799 821457896 /nfs/dbraw/zinc/45/78/96/821457896.db2.gz ZTPZKYWZJSQNFW-BGYRXZFFSA-N 1 1 392.543 4.148 20 0 GIADMO C[C@H](c1cccnc1)[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000180794403 821462268 /nfs/dbraw/zinc/46/22/68/821462268.db2.gz WFMYXEIKYMZGSK-CQSZACIVSA-N 1 1 383.293 4.494 20 0 GIADMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000180794403 821462274 /nfs/dbraw/zinc/46/22/74/821462274.db2.gz WFMYXEIKYMZGSK-CQSZACIVSA-N 1 1 383.293 4.494 20 0 GIADMO c1cn(C[C@@H]2CCC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)nn1 ZINC000180797379 821464029 /nfs/dbraw/zinc/46/40/29/821464029.db2.gz KJQPYIZKPOWGAH-OAHLLOKOSA-N 1 1 379.489 4.060 20 0 GIADMO C[C@@H](CNC(=O)CCCc1nc2ccccc2s1)[N@@H+]1CCc2sccc2C1 ZINC000043844719 821470107 /nfs/dbraw/zinc/47/01/07/821470107.db2.gz ZFNMEYRCHJFAQD-HNNXBMFYSA-N 1 1 399.585 4.244 20 0 GIADMO C[C@@H](CNC(=O)CCCc1nc2ccccc2s1)[N@H+]1CCc2sccc2C1 ZINC000043844719 821470113 /nfs/dbraw/zinc/47/01/13/821470113.db2.gz ZFNMEYRCHJFAQD-HNNXBMFYSA-N 1 1 399.585 4.244 20 0 GIADMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)[C@@H]2C1 ZINC000180812944 821473672 /nfs/dbraw/zinc/47/36/72/821473672.db2.gz WQQZLUJQBVVDDL-NXHRZFHOSA-N 1 1 384.303 4.038 20 0 GIADMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)[C@@H]2C1 ZINC000180812944 821473676 /nfs/dbraw/zinc/47/36/76/821473676.db2.gz WQQZLUJQBVVDDL-NXHRZFHOSA-N 1 1 384.303 4.038 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)C1 ZINC000180825251 821482437 /nfs/dbraw/zinc/48/24/37/821482437.db2.gz YYRPZPAXSVZNDC-QHCPKHFHSA-N 1 1 394.559 4.491 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc(-n2cccn2)cc1 ZINC000180836842 821488102 /nfs/dbraw/zinc/48/81/02/821488102.db2.gz YUXDOXKUXFKIHZ-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO Cn1cc([C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c2cccc(F)c2)cn1 ZINC000180913319 821533410 /nfs/dbraw/zinc/53/34/10/821533410.db2.gz HTQUJNSCXSRNPF-PKOBYXMFSA-N 1 1 394.277 4.279 20 0 GIADMO CC(C)(C)n1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000180952585 821553520 /nfs/dbraw/zinc/55/35/20/821553520.db2.gz NLLOZMJQXDTRSB-CTNGQTDRSA-N 1 1 395.551 4.157 20 0 GIADMO CC(C)[C@H](CSc1ccccc1)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000180960529 821557239 /nfs/dbraw/zinc/55/72/39/821557239.db2.gz LJMNHMCWBVHNPV-FKBYEOEOSA-N 1 1 376.610 4.161 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000180964797 821559752 /nfs/dbraw/zinc/55/97/52/821559752.db2.gz PWFONAAUKSXFJW-UHFFFAOYSA-N 1 1 387.487 4.486 20 0 GIADMO Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c(Cl)n1 ZINC000044520769 821598744 /nfs/dbraw/zinc/59/87/44/821598744.db2.gz IEZQYMMNSZMING-QGZVFWFLSA-N 1 1 378.303 4.264 20 0 GIADMO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3ccccc3)cc2)no1 ZINC000044591026 821617313 /nfs/dbraw/zinc/61/73/13/821617313.db2.gz AYSZUCVQOALKMW-NZQKXSOJSA-N 1 1 378.472 4.227 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(-c3ccccc3)cc2)no1 ZINC000044591026 821617318 /nfs/dbraw/zinc/61/73/18/821617318.db2.gz AYSZUCVQOALKMW-NZQKXSOJSA-N 1 1 378.472 4.227 20 0 GIADMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000181084109 821624575 /nfs/dbraw/zinc/62/45/75/821624575.db2.gz AXVJUKXMRFEMOV-TZMCWYRMSA-N 1 1 395.334 4.042 20 0 GIADMO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000181107399 821636557 /nfs/dbraw/zinc/63/65/57/821636557.db2.gz GZIXATZYVGWYOH-FQEVSTJZSA-N 1 1 393.358 4.324 20 0 GIADMO O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000181112526 821639633 /nfs/dbraw/zinc/63/96/33/821639633.db2.gz MUPBPBCYQBJWJX-UHFFFAOYSA-N 1 1 391.466 4.419 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)on1 ZINC000181119340 821645035 /nfs/dbraw/zinc/64/50/35/821645035.db2.gz HAGJFTGOSQCXGV-KRWDZBQOSA-N 1 1 379.504 4.277 20 0 GIADMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(Br)c1 ZINC000181140758 821658699 /nfs/dbraw/zinc/65/86/99/821658699.db2.gz XNZPTHYBVWRTAK-NVXWUHKLSA-N 1 1 391.334 4.470 20 0 GIADMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(Br)c1 ZINC000181140738 821658824 /nfs/dbraw/zinc/65/88/24/821658824.db2.gz XNZPTHYBVWRTAK-RDJZCZTQSA-N 1 1 391.334 4.470 20 0 GIADMO C[C@H]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000181152557 821666370 /nfs/dbraw/zinc/66/63/70/821666370.db2.gz XSXAMCWDPRBQTO-IBGZPJMESA-N 1 1 375.516 4.224 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3ccccc3Cl)cc2)C1 ZINC000044879138 821676275 /nfs/dbraw/zinc/67/62/75/821676275.db2.gz QCIDSCRUJUVENG-QGZVFWFLSA-N 1 1 386.923 4.267 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCOc3ccccc3)cc2)C1 ZINC000044878900 821676373 /nfs/dbraw/zinc/67/63/73/821676373.db2.gz IETKYNAYQSFIKI-HXUWFJFHSA-N 1 1 380.532 4.394 20 0 GIADMO CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044915012 821680510 /nfs/dbraw/zinc/68/05/10/821680510.db2.gz JRZIKOIHVVJTOE-FQEVSTJZSA-N 1 1 393.531 4.019 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1F ZINC000181192312 821687679 /nfs/dbraw/zinc/68/76/79/821687679.db2.gz CNQPUORGEFCFTG-KUHUBIRLSA-N 1 1 385.414 4.272 20 0 GIADMO C[C@@H](NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1nccs1 ZINC000181199070 821692512 /nfs/dbraw/zinc/69/25/12/821692512.db2.gz IDRIKUFLVOJFNI-OAHLLOKOSA-N 1 1 398.498 4.025 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000181282009 821733185 /nfs/dbraw/zinc/73/31/85/821733185.db2.gz WNVFWBSAMPSRQU-CQSZACIVSA-N 1 1 381.407 4.288 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000181281989 821733202 /nfs/dbraw/zinc/73/32/02/821733202.db2.gz WNVFWBSAMPSRQU-AWEZNQCLSA-N 1 1 381.407 4.288 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000181316726 821754706 /nfs/dbraw/zinc/75/47/06/821754706.db2.gz VSYAJXVNQACRMR-XLIONFOSSA-N 1 1 394.544 4.052 20 0 GIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(F)(F)F)cc1 ZINC000181330235 821763197 /nfs/dbraw/zinc/76/31/97/821763197.db2.gz UZXZFIFYDRNAEH-QAPCUYQASA-N 1 1 384.442 4.069 20 0 GIADMO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1OC(F)F ZINC000181391895 821801881 /nfs/dbraw/zinc/80/18/81/821801881.db2.gz DEUYQJUARKJAEJ-NHYWBVRUSA-N 1 1 386.236 4.435 20 0 GIADMO CCn1c2ccc(F)cc2nc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181414068 821812992 /nfs/dbraw/zinc/81/29/92/821812992.db2.gz PBDXBAFQCQCOLL-HNNXBMFYSA-N 1 1 380.467 4.173 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cn2c3ccccc3n(C)c2=S)CC1 ZINC000181421680 821817795 /nfs/dbraw/zinc/81/77/95/821817795.db2.gz FPHDMVDBAIBZDG-UHFFFAOYSA-N 1 1 388.581 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398.938 4.462 20 0 GIADMO C[N@H+](Cc1cccc2cnccc21)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000183142202 822430284 /nfs/dbraw/zinc/43/02/84/822430284.db2.gz MRRFISHWSYFVEK-QGZVFWFLSA-N 1 1 390.405 4.125 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2nnc(Cc3ccccc3C)o2)cc1 ZINC000183150098 822431674 /nfs/dbraw/zinc/43/16/74/822431674.db2.gz BGHTUXXEETXRHK-KRWDZBQOSA-N 1 1 387.487 4.314 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)C1 ZINC000454134903 822432370 /nfs/dbraw/zinc/43/23/70/822432370.db2.gz LWQSKHIZEPJTNK-MRXNPFEDSA-N 1 1 375.822 4.308 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)n1 ZINC000183174781 822435759 /nfs/dbraw/zinc/43/57/59/822435759.db2.gz NYJUBBNSKZWQOK-UHFFFAOYSA-N 1 1 382.411 4.456 20 0 GIADMO CCN1CC[NH+](Cc2ccc(N[C@H](C)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000183180284 822436582 /nfs/dbraw/zinc/43/65/82/822436582.db2.gz AVKUSQOOCJGBOI-GOSISDBHSA-N 1 1 383.536 4.014 20 0 GIADMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179085636 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/nfs/dbraw/zinc/52/65/40/822526540.db2.gz WHLVANGXOOEYID-MRXNPFEDSA-N 1 1 378.476 4.292 20 0 GIADMO COC(=O)c1sccc1C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179689425 822528027 /nfs/dbraw/zinc/52/80/27/822528027.db2.gz QGMFQFSFSOZLDL-OAHLLOKOSA-N 1 1 382.485 4.360 20 0 GIADMO C[C@@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccc(F)cc1Cl ZINC000183786427 822528052 /nfs/dbraw/zinc/52/80/52/822528052.db2.gz VAYKXNUTHWOIBP-GFCCVEGCSA-N 1 1 391.899 4.098 20 0 GIADMO Cc1cccc(COc2ccc(NC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)c(C)c2)c1 ZINC000454752511 822528395 /nfs/dbraw/zinc/52/83/95/822528395.db2.gz ZVDMFIFVGIJOTL-KNQAVFIVSA-N 1 1 379.504 4.050 20 0 GIADMO CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000179695137 822529352 /nfs/dbraw/zinc/52/93/52/822529352.db2.gz HWWWLOAXTPVSBF-HNNXBMFYSA-N 1 1 390.911 4.013 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)CC1 ZINC000046934050 822532347 /nfs/dbraw/zinc/53/23/47/822532347.db2.gz TUZWBRUCNZSUOO-IBGZPJMESA-N 1 1 393.622 4.087 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)C1 ZINC000046934304 822532418 /nfs/dbraw/zinc/53/24/18/822532418.db2.gz ZVGPURBYRUFIAD-MRXNPFEDSA-N 1 1 376.456 4.277 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2cc(C)oc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000183823767 822532563 /nfs/dbraw/zinc/53/25/63/822532563.db2.gz UXRPEUMSGCKBFL-NSHDSACASA-N 1 1 384.379 4.308 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc2ccccn21)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000183824023 822532591 /nfs/dbraw/zinc/53/25/91/822532591.db2.gz NNWKZBYESWDVSJ-MRXNPFEDSA-N 1 1 376.435 4.298 20 0 GIADMO CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046934332 822532518 /nfs/dbraw/zinc/53/25/18/822532518.db2.gz NKCCFLQKHHIIHM-FSTGKYBXSA-N 1 1 391.515 4.034 20 0 GIADMO COc1cc(OC)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000046934519 822532538 /nfs/dbraw/zinc/53/25/38/822532538.db2.gz PXKHPFNZPLWXAN-INIZCTEOSA-N 1 1 398.503 4.197 20 0 GIADMO CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046934333 822532582 /nfs/dbraw/zinc/53/25/82/822532582.db2.gz NKCCFLQKHHIIHM-JYBCESJWSA-N 1 1 391.515 4.034 20 0 GIADMO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)n2)cc1 ZINC000046952581 822533698 /nfs/dbraw/zinc/53/36/98/822533698.db2.gz NEJIZNRHOARSOB-MSOLQXFVSA-N 1 1 398.551 4.029 20 0 GIADMO Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1NC(=O)c1ccco1 ZINC000046988525 822536047 /nfs/dbraw/zinc/53/60/47/822536047.db2.gz ODYLRRATLAYRAB-GOSISDBHSA-N 1 1 397.519 4.225 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)o2)cc1 ZINC000046991761 822536243 /nfs/dbraw/zinc/53/62/43/822536243.db2.gz ZMAHGGPBUZKLEU-IBGZPJMESA-N 1 1 383.536 4.211 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccccc1OCC(=O)N(C)C ZINC000179729453 822536781 /nfs/dbraw/zinc/53/67/81/822536781.db2.gz IDHSGVXOVYZHFV-SFHVURJKSA-N 1 1 399.516 4.111 20 0 GIADMO CC1([C@H]2CCC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)OCCO1 ZINC000183857854 822536885 /nfs/dbraw/zinc/53/68/85/822536885.db2.gz WXYAWYLGKGLCSX-INIZCTEOSA-N 1 1 392.952 4.362 20 0 GIADMO C[C@H](CNC(=O)N1CCC[C@H]1c1ccsc1)[N@@H+]1CCc2sccc2C1 ZINC000047010503 822537390 /nfs/dbraw/zinc/53/73/90/822537390.db2.gz XMFGXZYXCLBMLZ-PBHICJAKSA-N 1 1 375.563 4.103 20 0 GIADMO C[C@H](CNC(=O)N1CCC[C@H]1c1ccsc1)[N@H+]1CCc2sccc2C1 ZINC000047010503 822537391 /nfs/dbraw/zinc/53/73/91/822537391.db2.gz XMFGXZYXCLBMLZ-PBHICJAKSA-N 1 1 375.563 4.103 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047010913 822537607 /nfs/dbraw/zinc/53/76/07/822537607.db2.gz IMEBRVHDEGCTSL-OXQOHEQNSA-N 1 1 399.560 4.050 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000047010913 822537610 /nfs/dbraw/zinc/53/76/10/822537610.db2.gz IMEBRVHDEGCTSL-OXQOHEQNSA-N 1 1 399.560 4.050 20 0 GIADMO CCO[C@H](CC[NH+](C)C)CN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183863407 822537726 /nfs/dbraw/zinc/53/77/26/822537726.db2.gz UMRJUFOZPNZVEZ-IEBWSBKVSA-N 1 1 395.341 4.078 20 0 GIADMO CC1([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)OCCO1 ZINC000183865559 822537925 /nfs/dbraw/zinc/53/79/25/822537925.db2.gz JMPATPQGSSAWSK-MRXNPFEDSA-N 1 1 396.409 4.335 20 0 GIADMO CC1([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)OCCO1 ZINC000183887031 822540840 /nfs/dbraw/zinc/54/08/40/822540840.db2.gz ZPAYZFCFWNCZMS-HXUWFJFHSA-N 1 1 394.515 4.157 20 0 GIADMO OCCC[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccc1 ZINC000179742782 822541054 /nfs/dbraw/zinc/54/10/54/822541054.db2.gz BXBYSBGNIXVERO-OAQYLSRUSA-N 1 1 379.479 4.104 20 0 GIADMO CC[C@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)CC[N@H+]1Cc1ccccc1 ZINC000183901194 822542957 /nfs/dbraw/zinc/54/29/57/822542957.db2.gz LRBFKYYZBAQBKA-FQEVSTJZSA-N 1 1 394.519 4.082 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cc(F)ccc1SCC(F)F)C1CC1 ZINC000454835582 822543068 /nfs/dbraw/zinc/54/30/68/822543068.db2.gz OSKXWQBNKHBMHR-UHFFFAOYSA-N 1 1 375.460 4.179 20 0 GIADMO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047103789 822544783 /nfs/dbraw/zinc/54/47/83/822544783.db2.gz ZPUASUVZOFOPPA-YQVWRLOYSA-N 1 1 389.952 4.417 20 0 GIADMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)ccc1Br ZINC000183920987 822546743 /nfs/dbraw/zinc/54/67/43/822546743.db2.gz NLZOCNSTZSNFLS-OLZOCXBDSA-N 1 1 396.354 4.277 20 0 GIADMO Cc1cc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c2nccs2)ccc1Br ZINC000183920987 822546747 /nfs/dbraw/zinc/54/67/47/822546747.db2.gz NLZOCNSTZSNFLS-OLZOCXBDSA-N 1 1 396.354 4.277 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1cc(F)ccc1F ZINC000179773399 822550017 /nfs/dbraw/zinc/55/00/17/822550017.db2.gz VQQKTGJHXKKCIJ-HNNXBMFYSA-N 1 1 375.444 4.278 20 0 GIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC2c3ccccc3-c3ccccc32)c1 ZINC000183937919 822550437 /nfs/dbraw/zinc/55/04/37/822550437.db2.gz LTJRRABPHYYBLG-HSZRJFAPSA-N 1 1 383.495 4.318 20 0 GIADMO C[C@H](C[N@@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000183939178 822550791 /nfs/dbraw/zinc/55/07/91/822550791.db2.gz JMPRHSDRLDKVBY-GOSISDBHSA-N 1 1 393.556 4.474 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000047187874 822552518 /nfs/dbraw/zinc/55/25/18/822552518.db2.gz BCENBIQVBUWFGH-KRWDZBQOSA-N 1 1 399.560 4.242 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000047190813 822552777 /nfs/dbraw/zinc/55/27/77/822552777.db2.gz DXLOJNSFUNDBHJ-OXQOHEQNSA-N 1 1 377.488 4.126 20 0 GIADMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)C1 ZINC000179789098 822553360 /nfs/dbraw/zinc/55/33/60/822553360.db2.gz APJDNSPTDSFOFW-HNNXBMFYSA-N 1 1 384.442 4.056 20 0 GIADMO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183955524 822553661 /nfs/dbraw/zinc/55/36/61/822553661.db2.gz ACDYHANPCKKOML-UHFFFAOYSA-N 1 1 376.422 4.040 20 0 GIADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)N1CC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000454913016 822555652 /nfs/dbraw/zinc/55/56/52/822555652.db2.gz ARABCHTTZTWPMC-CABCVRRESA-N 1 1 395.828 4.019 20 0 GIADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)N1CC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000454913016 822555654 /nfs/dbraw/zinc/55/56/54/822555654.db2.gz ARABCHTTZTWPMC-CABCVRRESA-N 1 1 395.828 4.019 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000183974969 822556543 /nfs/dbraw/zinc/55/65/43/822556543.db2.gz LFXRKNRWAAAROM-RXVVDRJESA-N 1 1 393.556 4.279 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000183974969 822556545 /nfs/dbraw/zinc/55/65/45/822556545.db2.gz LFXRKNRWAAAROM-RXVVDRJESA-N 1 1 393.556 4.279 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCC1(F)F ZINC000454920545 822557085 /nfs/dbraw/zinc/55/70/85/822557085.db2.gz KUPLTTWDODHRRY-QZTJIDSGSA-N 1 1 379.495 4.022 20 0 GIADMO Cc1csc2nc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3F)cc(=O)n12 ZINC000179813790 822558320 /nfs/dbraw/zinc/55/83/20/822558320.db2.gz MEDRMIGULCWAKE-FQEVSTJZSA-N 1 1 393.487 4.277 20 0 GIADMO CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000047265807 822559948 /nfs/dbraw/zinc/55/99/48/822559948.db2.gz QXJRXQUVFJPRSA-UHFFFAOYSA-N 1 1 380.410 4.261 20 0 GIADMO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000047265807 822559950 /nfs/dbraw/zinc/55/99/50/822559950.db2.gz QXJRXQUVFJPRSA-UHFFFAOYSA-N 1 1 380.410 4.261 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(-c3ccccc3)cc2)on1 ZINC000047273709 822560773 /nfs/dbraw/zinc/56/07/73/822560773.db2.gz RHVNCKROWTYBPP-RBBKRZOGSA-N 1 1 378.472 4.227 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000047275817 822560958 /nfs/dbraw/zinc/56/09/58/822560958.db2.gz MTYVQOQNIXYKLC-UHFFFAOYSA-N 1 1 393.447 4.399 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)cn1 ZINC000047275969 822561257 /nfs/dbraw/zinc/56/12/57/822561257.db2.gz RHVHKCZIQCSOHR-LLVKDONJSA-N 1 1 391.258 4.289 20 0 GIADMO C[C@@H](C[N@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1nccs1 ZINC000184002145 822561829 /nfs/dbraw/zinc/56/18/29/822561829.db2.gz IASCCGBGOOAXMN-NSHDSACASA-N 1 1 382.411 4.447 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1nccs1 ZINC000184002145 822561830 /nfs/dbraw/zinc/56/18/30/822561830.db2.gz IASCCGBGOOAXMN-NSHDSACASA-N 1 1 382.411 4.447 20 0 GIADMO Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c12 ZINC000047283514 822561900 /nfs/dbraw/zinc/56/19/00/822561900.db2.gz LNVCIAZONUSAGH-HNNXBMFYSA-N 1 1 391.519 4.069 20 0 GIADMO CCC[C@H]1CN(C(=O)Nc2c(C)nn(CC)c2C)CC[N@H+]1Cc1ccccc1 ZINC000179831188 822562036 /nfs/dbraw/zinc/56/20/36/822562036.db2.gz NEVDBKXNEXFTPP-FQEVSTJZSA-N 1 1 383.540 4.038 20 0 GIADMO Cc1nc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c(-c2ccccc2)o1 ZINC000184064663 822573333 /nfs/dbraw/zinc/57/33/33/822573333.db2.gz WYYQYTPSVOWHOY-UHFFFAOYSA-N 1 1 390.487 4.044 20 0 GIADMO Clc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1Br ZINC000179907805 822574796 /nfs/dbraw/zinc/57/47/96/822574796.db2.gz WPKCNCAFUWSHMB-HNNXBMFYSA-N 1 1 388.733 4.263 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccnc1C(F)(F)F ZINC000179912281 822575662 /nfs/dbraw/zinc/57/56/62/822575662.db2.gz SJLWDTPZKGCTJU-OAHLLOKOSA-N 1 1 391.437 4.405 20 0 GIADMO Cc1[nH+]ccn1CCCCN[C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000179917647 822576629 /nfs/dbraw/zinc/57/66/29/822576629.db2.gz DCRGJAPPBAATHT-HNNXBMFYSA-N 1 1 377.357 4.466 20 0 GIADMO CCCNC(=O)C1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000179923598 822577958 /nfs/dbraw/zinc/57/79/58/822577958.db2.gz MNHUDTMVMNNSQM-UHFFFAOYSA-N 1 1 396.375 4.462 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000179930492 822579082 /nfs/dbraw/zinc/57/90/82/822579082.db2.gz YUCPXOOPBJRWCU-BBRMVZONSA-N 1 1 376.497 4.082 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)C3(CC)CCCCC3)CC2)cs1 ZINC000184116063 822580748 /nfs/dbraw/zinc/58/07/48/822580748.db2.gz PRLFSZAERRSYDZ-UHFFFAOYSA-N 1 1 377.598 4.394 20 0 GIADMO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000179939438 822581245 /nfs/dbraw/zinc/58/12/45/822581245.db2.gz AHAFRHRJNXUHKT-CQSZACIVSA-N 1 1 396.350 4.354 20 0 GIADMO Cc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000179939438 822581248 /nfs/dbraw/zinc/58/12/48/822581248.db2.gz AHAFRHRJNXUHKT-CQSZACIVSA-N 1 1 396.350 4.354 20 0 GIADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000047461694 822581480 /nfs/dbraw/zinc/58/14/80/822581480.db2.gz RWXMNOMSIMAJPM-KRWDZBQOSA-N 1 1 387.483 4.231 20 0 GIADMO CCC[N@@H+](C)[C@@H](CNC(=O)N(C)Cc1conc1CC)c1ccc(Cl)cc1 ZINC000455059572 822582602 /nfs/dbraw/zinc/58/26/02/822582602.db2.gz YSNVKZHSNNPVPU-IBGZPJMESA-N 1 1 392.931 4.115 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](C)c2nccs2)c1 ZINC000184135141 822583880 /nfs/dbraw/zinc/58/38/80/822583880.db2.gz XIZNOSKEPSQIQJ-HNNXBMFYSA-N 1 1 383.521 4.437 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000179952169 822584667 /nfs/dbraw/zinc/58/46/67/822584667.db2.gz YRKVOOCZZWKIGD-HNNXBMFYSA-N 1 1 386.542 4.455 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H](F)C2)cc1)C[C@@H]1CCCCO1 ZINC000455073344 822584983 /nfs/dbraw/zinc/58/49/83/822584983.db2.gz HJEDPNFHHCRTJG-QUCCMNQESA-N 1 1 377.504 4.042 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)cc(OC)c1OC ZINC000179979531 822589477 /nfs/dbraw/zinc/58/94/77/822589477.db2.gz JCPQYDAZUVELHZ-LBPRGKRZSA-N 1 1 389.883 4.103 20 0 GIADMO Cc1ccc(Br)cc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000047570664 822592280 /nfs/dbraw/zinc/59/22/80/822592280.db2.gz SKOAKNWUDPEIKI-UHFFFAOYSA-N 1 1 388.309 4.107 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCC(C)(F)F ZINC000455125422 822592726 /nfs/dbraw/zinc/59/27/26/822592726.db2.gz GNCKJVCDFAKCID-LPHOPBHVSA-N 1 1 396.526 4.067 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCC(C)(F)F ZINC000455125422 822592730 /nfs/dbraw/zinc/59/27/30/822592730.db2.gz GNCKJVCDFAKCID-LPHOPBHVSA-N 1 1 396.526 4.067 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2nc(Cc3ccccc3)cs2)CC[N@H+](C2CCC2)C1 ZINC000455127917 822593553 /nfs/dbraw/zinc/59/35/53/822593553.db2.gz RHPVAGCNCMOGGJ-INIZCTEOSA-N 1 1 384.549 4.072 20 0 GIADMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(-c4cccs4)n3)ccc2NC1=O ZINC000180010892 822596024 /nfs/dbraw/zinc/59/60/24/822596024.db2.gz KFCRQLOSXHDJHJ-BLLLJJGKSA-N 1 1 383.473 4.363 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)ccc1OCC(C)C ZINC000047609278 822596563 /nfs/dbraw/zinc/59/65/63/822596563.db2.gz JCVVECZPYJHWOF-GAJHUEQPSA-N 1 1 396.531 4.401 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1nc2ccc(Cl)cc2n1C ZINC000180016796 822597231 /nfs/dbraw/zinc/59/72/31/822597231.db2.gz QZMGIYSXMHVRAT-NSHDSACASA-N 1 1 398.816 4.414 20 0 GIADMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(-c4cccc(F)c4)n3)ccc2NC1=O ZINC000180019197 822597857 /nfs/dbraw/zinc/59/78/57/822597857.db2.gz GGVPHZLDCKIXNT-ORAYPTAESA-N 1 1 395.434 4.441 20 0 GIADMO O=C(Cc1cccc2ccccc21)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715370 822603055 /nfs/dbraw/zinc/60/30/55/822603055.db2.gz CESMXCKQDWVQBA-UHFFFAOYSA-N 1 1 394.465 4.441 20 0 GIADMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@H](C)c1ccc(Br)s1 ZINC000180048175 822603888 /nfs/dbraw/zinc/60/38/88/822603888.db2.gz NSEZMNNOVWOJTC-GFCCVEGCSA-N 1 1 382.327 4.224 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1Br ZINC000455195300 822605429 /nfs/dbraw/zinc/60/54/29/822605429.db2.gz PAXXHQMLXGBKSI-ZDUSSCGKSA-N 1 1 394.357 4.404 20 0 GIADMO Cn1cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)c(-c2cccs2)n1 ZINC000180064638 822607342 /nfs/dbraw/zinc/60/73/42/822607342.db2.gz RULUZZCUIIEDIR-UHFFFAOYSA-N 1 1 380.561 4.245 20 0 GIADMO CN(Cc1cn(C)nc1-c1cccs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180064638 822607344 /nfs/dbraw/zinc/60/73/44/822607344.db2.gz RULUZZCUIIEDIR-UHFFFAOYSA-N 1 1 380.561 4.245 20 0 GIADMO CCOc1cc(C)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000047764549 822607612 /nfs/dbraw/zinc/60/76/12/822607612.db2.gz OFGNZFXABVUDDF-UHFFFAOYSA-N 1 1 397.519 4.142 20 0 GIADMO CC(C)OCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000184280539 822607966 /nfs/dbraw/zinc/60/79/66/822607966.db2.gz HBOCXXGEQGILCC-UHFFFAOYSA-N 1 1 387.351 4.279 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000180072731 822609752 /nfs/dbraw/zinc/60/97/52/822609752.db2.gz OTEHSDDUTNJXCQ-UHFFFAOYSA-N 1 1 396.531 4.366 20 0 GIADMO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1)N1CCCC1 ZINC000047822237 822612759 /nfs/dbraw/zinc/61/27/59/822612759.db2.gz ULVAKZLTQSGNCP-UHFFFAOYSA-N 1 1 399.343 4.068 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ncc(C(F)(F)F)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455234623 822614360 /nfs/dbraw/zinc/61/43/60/822614360.db2.gz AYZXAZQPFXOPGM-CYBMUJFWSA-N 1 1 398.454 4.148 20 0 GIADMO CCCN1c2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2CCC1=O ZINC000180115738 822618449 /nfs/dbraw/zinc/61/84/49/822618449.db2.gz GIAXYBZTGXBFHN-PGRDOPGGSA-N 1 1 392.547 4.093 20 0 GIADMO Cc1cc(F)c(Br)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000455253634 822618519 /nfs/dbraw/zinc/61/85/19/822618519.db2.gz WWBGXSQPBAHJLS-LBPRGKRZSA-N 1 1 398.320 4.235 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000455254200 822618726 /nfs/dbraw/zinc/61/87/26/822618726.db2.gz WVUBCJZAAGXVJK-KAGYGMCKSA-N 1 1 393.531 4.062 20 0 GIADMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000180119097 822619032 /nfs/dbraw/zinc/61/90/32/822619032.db2.gz HEBIXRUHUWJPGD-BXWFABGCSA-N 1 1 397.954 4.183 20 0 GIADMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000180119097 822619034 /nfs/dbraw/zinc/61/90/34/822619034.db2.gz HEBIXRUHUWJPGD-BXWFABGCSA-N 1 1 397.954 4.183 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000180132118 822622481 /nfs/dbraw/zinc/62/24/81/822622481.db2.gz XMWSVHSJPQGDGQ-SFHVURJKSA-N 1 1 388.552 4.016 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC(c2ccccc2C)c2ccccc2C)C1 ZINC000184369509 822623493 /nfs/dbraw/zinc/62/34/93/822623493.db2.gz HFGQFEQQDOFVPO-HXUWFJFHSA-N 1 1 379.548 4.376 20 0 GIADMO CCOc1cccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)c1OC(F)F ZINC000180150796 822627483 /nfs/dbraw/zinc/62/74/83/822627483.db2.gz GHGNZHPBKIQXAI-CYBMUJFWSA-N 1 1 375.419 4.424 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000048081745 822630167 /nfs/dbraw/zinc/63/01/67/822630167.db2.gz YMLQAGQXISVHJO-UHFFFAOYSA-N 1 1 388.556 4.174 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H]1c1ccccc1 ZINC000180162649 822630253 /nfs/dbraw/zinc/63/02/53/822630253.db2.gz SWFNPHOWYBKLSV-YKSBVNFPSA-N 1 1 389.499 4.226 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000184419229 822631743 /nfs/dbraw/zinc/63/17/43/822631743.db2.gz BZQCUCHTIRSLQX-IBGZPJMESA-N 1 1 398.572 4.438 20 0 GIADMO C[C@H]1CC=C(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000455314984 822633104 /nfs/dbraw/zinc/63/31/04/822633104.db2.gz MQZVCVXGOSDAAR-KRWDZBQOSA-N 1 1 379.504 4.169 20 0 GIADMO CCCCCNC(=O)C1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000184441789 822635734 /nfs/dbraw/zinc/63/57/34/822635734.db2.gz DFJDTNWBCRPCAA-UHFFFAOYSA-N 1 1 388.943 4.044 20 0 GIADMO Cc1c(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cccc1N(C)C ZINC000180190357 822636030 /nfs/dbraw/zinc/63/60/30/822636030.db2.gz WHTHPXSKEUIACI-SFHVURJKSA-N 1 1 380.536 4.189 20 0 GIADMO C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H](C)c2nc3ccc(Cl)cc3n2C)CC1 ZINC000180199266 822637876 /nfs/dbraw/zinc/63/78/76/822637876.db2.gz MCIWYQXOYZUNQJ-JKSUJKDBSA-N 1 1 397.954 4.498 20 0 GIADMO COc1ccc(OC)c([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000048152887 822640564 /nfs/dbraw/zinc/64/05/64/822640564.db2.gz NTUJHECEJAMJOV-KRWDZBQOSA-N 1 1 399.535 4.104 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](CC(=O)OC(C)C)C3)n2)cc1F ZINC000184471653 822641892 /nfs/dbraw/zinc/64/18/92/822641892.db2.gz GBPFGJDUGXGVDM-JKSUJKDBSA-N 1 1 389.471 4.299 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H](CC(=O)OC(C)C)C3)n2)cc1F ZINC000184471653 822641893 /nfs/dbraw/zinc/64/18/93/822641893.db2.gz GBPFGJDUGXGVDM-JKSUJKDBSA-N 1 1 389.471 4.299 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCc1ccccc1Cl ZINC000184472779 822642071 /nfs/dbraw/zinc/64/20/71/822642071.db2.gz CUSXTEUYTCCAGY-OLZOCXBDSA-N 1 1 379.957 4.450 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000184472762 822642095 /nfs/dbraw/zinc/64/20/95/822642095.db2.gz CUSXTEUYTCCAGY-QWHCGFSZSA-N 1 1 379.957 4.450 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cs1 ZINC000184479074 822642956 /nfs/dbraw/zinc/64/29/56/822642956.db2.gz FJQOFZWCPULYOT-INIZCTEOSA-N 1 1 388.533 4.372 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cs1 ZINC000184479074 822642957 /nfs/dbraw/zinc/64/29/57/822642957.db2.gz FJQOFZWCPULYOT-INIZCTEOSA-N 1 1 388.533 4.372 20 0 GIADMO CCCc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[nH]c(C)c1C(C)=O ZINC000048185637 822643232 /nfs/dbraw/zinc/64/32/32/822643232.db2.gz IBFKEFYTPVUUTM-QGZVFWFLSA-N 1 1 387.549 4.107 20 0 GIADMO O=C(c1ccc(C(F)(F)F)nc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000048190055 822643852 /nfs/dbraw/zinc/64/38/52/822643852.db2.gz NOHGZQCLQHQYHF-UHFFFAOYSA-N 1 1 397.828 4.102 20 0 GIADMO O=C(c1ccc(C(F)(F)F)nc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000048190055 822643853 /nfs/dbraw/zinc/64/38/53/822643853.db2.gz NOHGZQCLQHQYHF-UHFFFAOYSA-N 1 1 397.828 4.102 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000184486596 822644272 /nfs/dbraw/zinc/64/42/72/822644272.db2.gz RIQLMTAGDWIENC-FQEVSTJZSA-N 1 1 394.515 4.493 20 0 GIADMO O=C(NC[C@H]1CCCC1(F)F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455393655 822645770 /nfs/dbraw/zinc/64/57/70/822645770.db2.gz COHCFGOHCBUWDB-CTNGQTDRSA-N 1 1 391.506 4.120 20 0 GIADMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000180245803 822647530 /nfs/dbraw/zinc/64/75/30/822647530.db2.gz WHYJTDZMZLYUJU-KRWDZBQOSA-N 1 1 385.309 4.240 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000048254845 822648619 /nfs/dbraw/zinc/64/86/19/822648619.db2.gz OZRKKGOSPHCPTQ-KRWDZBQOSA-N 1 1 388.556 4.223 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000048255981 822648991 /nfs/dbraw/zinc/64/89/91/822648991.db2.gz VDSVIYBCCKJZJT-UHFFFAOYSA-N 1 1 396.535 4.233 20 0 GIADMO COc1ccc([C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C2CC2)cc1 ZINC000048304542 822652438 /nfs/dbraw/zinc/65/24/38/822652438.db2.gz FYGJVBMKIVKNCR-QHCPKHFHSA-N 1 1 395.547 4.486 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cn3cc(-c4ccccc4)cn3)CC2)n1 ZINC000180274066 822652563 /nfs/dbraw/zinc/65/25/63/822652563.db2.gz ICCPOEZEGCPSNI-UHFFFAOYSA-N 1 1 375.398 4.060 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1nc(-c2ccccc2)cs1 ZINC000184538204 822653576 /nfs/dbraw/zinc/65/35/76/822653576.db2.gz GZVSYCCNGIROSO-HIFRSBDPSA-N 1 1 397.466 4.262 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCSCc3ccccn3)cc2)C1 ZINC000048323147 822653654 /nfs/dbraw/zinc/65/36/54/822653654.db2.gz UHKHEAAUCOJERF-LJQANCHMSA-N 1 1 397.588 4.253 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1ccncc1 ZINC000048323453 822653689 /nfs/dbraw/zinc/65/36/89/822653689.db2.gz OAZBFSGJDAYCQV-SFHVURJKSA-N 1 1 383.561 4.006 20 0 GIADMO CC(C)[N@@H+](C)Cc1cccc(CN[C@H](c2cnn(C)c2)c2cccc(F)c2)c1 ZINC000180298783 822659006 /nfs/dbraw/zinc/65/90/06/822659006.db2.gz OOEUGPKCNOSBLH-QHCPKHFHSA-N 1 1 380.511 4.279 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000048402266 822659967 /nfs/dbraw/zinc/65/99/67/822659967.db2.gz HVTNMLCNQAXAFZ-UHFFFAOYSA-N 1 1 385.321 4.172 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](c3cnn(C)c3)c3ccc(F)cc3)cc2)n1 ZINC000184581961 822661145 /nfs/dbraw/zinc/66/11/45/822661145.db2.gz OBGGUICZWZAGLL-QHCPKHFHSA-N 1 1 389.478 4.241 20 0 GIADMO CC(=O)c1cccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000184586382 822661778 /nfs/dbraw/zinc/66/17/78/822661778.db2.gz PSRBCRZRCWRBBO-SFHVURJKSA-N 1 1 393.409 4.332 20 0 GIADMO Cc1c(-c2cc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccccc3)on2)cnn1C ZINC000184612273 822665701 /nfs/dbraw/zinc/66/57/01/822665701.db2.gz DLIKJTZGRGJBCK-XXBNENTESA-N 1 1 394.519 4.252 20 0 GIADMO C[N@@H+]1CCN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)[C@H](c2ccccc2)C1 ZINC000184623617 822667151 /nfs/dbraw/zinc/66/71/51/822667151.db2.gz BSMMOKDRBWLJCC-FQEVSTJZSA-N 1 1 395.503 4.007 20 0 GIADMO C[N@H+]1CCN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)[C@H](c2ccccc2)C1 ZINC000184623617 822667152 /nfs/dbraw/zinc/66/71/52/822667152.db2.gz BSMMOKDRBWLJCC-FQEVSTJZSA-N 1 1 395.503 4.007 20 0 GIADMO CCC(CC)n1nc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1C ZINC000180349409 822667880 /nfs/dbraw/zinc/66/78/80/822667880.db2.gz LOKIAKFELHERFE-UHFFFAOYSA-N 1 1 386.515 4.040 20 0 GIADMO CCC(CC)n1nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1C ZINC000180349409 822667881 /nfs/dbraw/zinc/66/78/81/822667881.db2.gz LOKIAKFELHERFE-UHFFFAOYSA-N 1 1 386.515 4.040 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1cccc(-c2ncco2)c1C)[NH+](C)C ZINC000455506416 822668045 /nfs/dbraw/zinc/66/80/45/822668045.db2.gz LTALICFBTGZGBZ-IBGZPJMESA-N 1 1 394.475 4.083 20 0 GIADMO Cc1c(-c2cc(C[N@H+]3CCC[C@@H](c4nc5c(s4)CCCC5)C3)on2)cnn1C ZINC000184628884 822668210 /nfs/dbraw/zinc/66/82/10/822668210.db2.gz UITLITBOQNVGMM-OAHLLOKOSA-N 1 1 397.548 4.098 20 0 GIADMO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cc(=O)n4cc(Cl)ccc4n3)oc21 ZINC000180356376 822669448 /nfs/dbraw/zinc/66/94/48/822669448.db2.gz RZKIPOOEPOSKQR-ZDUSSCGKSA-N 1 1 397.862 4.344 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cs1)c1ccc(F)cc1 ZINC000180370180 822671392 /nfs/dbraw/zinc/67/13/92/822671392.db2.gz LDLHVBYKMYQGEI-KRWDZBQOSA-N 1 1 391.512 4.403 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)Nc2cc(F)cc(F)c2F)CC1)CC1CC1 ZINC000455554786 822674174 /nfs/dbraw/zinc/67/41/74/822674174.db2.gz QFTDEBPNZSCKDQ-UHFFFAOYSA-N 1 1 383.458 4.470 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455560202 822674680 /nfs/dbraw/zinc/67/46/80/822674680.db2.gz CHGTWDADWZKWSU-MRXNPFEDSA-N 1 1 391.437 4.480 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000455562994 822675055 /nfs/dbraw/zinc/67/50/55/822675055.db2.gz HXFBNSSFYSNBPY-UHFFFAOYSA-N 1 1 391.437 4.480 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000455568606 822675967 /nfs/dbraw/zinc/67/59/67/822675967.db2.gz RNRZKXWJPHYKNL-BBRMVZONSA-N 1 1 377.410 4.279 20 0 GIADMO CCc1nc([C@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cs1 ZINC000184683495 822676047 /nfs/dbraw/zinc/67/60/47/822676047.db2.gz OGZWCWZXQXBUMC-JQWIXIFHSA-N 1 1 375.321 4.103 20 0 GIADMO CCc1nc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cs1 ZINC000184683528 822676117 /nfs/dbraw/zinc/67/61/17/822676117.db2.gz OGZWCWZXQXBUMC-CMPLNLGQSA-N 1 1 375.321 4.103 20 0 GIADMO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ncc(Br)s1 ZINC000180415606 822677824 /nfs/dbraw/zinc/67/78/24/822677824.db2.gz OFVVPAIAEYXZNH-LLVKDONJSA-N 1 1 377.311 4.157 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455584916 822678588 /nfs/dbraw/zinc/67/85/88/822678588.db2.gz AZHKEEKKFAYUGQ-IBGZPJMESA-N 1 1 375.463 4.332 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000048709207 822679193 /nfs/dbraw/zinc/67/91/93/822679193.db2.gz JCODMDOIXDCIBA-AWEZNQCLSA-N 1 1 380.883 4.036 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000455588291 822679547 /nfs/dbraw/zinc/67/95/47/822679547.db2.gz OXQCRSYYGBYNNK-UHFFFAOYSA-N 1 1 399.363 4.168 20 0 GIADMO C[C@H]1C[C@H](CCNC(=O)NCCC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000455593288 822680457 /nfs/dbraw/zinc/68/04/57/822680457.db2.gz HCZDJULLVAHPIR-WMZOPIPTSA-N 1 1 379.495 4.022 20 0 GIADMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)cc1OCC ZINC000184711978 822680560 /nfs/dbraw/zinc/68/05/60/822680560.db2.gz HVNVAPHGMHNIBT-CQSZACIVSA-N 1 1 384.480 4.032 20 0 GIADMO CC[N@@H+]1CC[C@H](CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000048745016 822680741 /nfs/dbraw/zinc/68/07/41/822680741.db2.gz NBJTVHRLIFCRNV-GOSISDBHSA-N 1 1 378.495 4.110 20 0 GIADMO CC[N@H+]1CC[C@H](CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000048745016 822680743 /nfs/dbraw/zinc/68/07/43/822680743.db2.gz NBJTVHRLIFCRNV-GOSISDBHSA-N 1 1 378.495 4.110 20 0 GIADMO O=C(C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1)NCC(F)(F)F ZINC000048745884 822680936 /nfs/dbraw/zinc/68/09/36/822680936.db2.gz BFJXJJFHMWEOKN-UHFFFAOYSA-N 1 1 381.181 4.022 20 0 GIADMO CCCCOc1ccc([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)cc1OC ZINC000184719869 822681622 /nfs/dbraw/zinc/68/16/22/822681622.db2.gz GSIZFHCMHDFWEE-HNNXBMFYSA-N 1 1 398.507 4.422 20 0 GIADMO COc1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)ccc1OC(F)F ZINC000048776466 822682199 /nfs/dbraw/zinc/68/21/99/822682199.db2.gz XIBCFWRQLDSGAM-UHFFFAOYSA-N 1 1 399.441 4.261 20 0 GIADMO C[C@H](C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)CN1CCN(C)CC1 ZINC000180439813 822682394 /nfs/dbraw/zinc/68/23/94/822682394.db2.gz RVFKBJWTGOOXBU-VGOFRKELSA-N 1 1 389.946 4.042 20 0 GIADMO CC(=O)Nc1cccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC000048786584 822683270 /nfs/dbraw/zinc/68/32/70/822683270.db2.gz NUXDNKNBSMDLLA-UHFFFAOYSA-N 1 1 386.858 4.221 20 0 GIADMO COCc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000048828369 822684837 /nfs/dbraw/zinc/68/48/37/822684837.db2.gz OLVNGEWEYFZUGV-LJQANCHMSA-N 1 1 395.547 4.064 20 0 GIADMO CC[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000180463982 822686685 /nfs/dbraw/zinc/68/66/85/822686685.db2.gz YRESNJRLOSKSDK-CABCVRRESA-N 1 1 381.358 4.212 20 0 GIADMO CSCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000184775872 822689328 /nfs/dbraw/zinc/68/93/28/822689328.db2.gz IXBBGWHHIJQWJG-IBGZPJMESA-N 1 1 383.561 4.236 20 0 GIADMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3ncnn3CC(C)C)s2)cc1 ZINC000184785812 822690696 /nfs/dbraw/zinc/69/06/96/822690696.db2.gz OSVDKCHDMBGJME-CQSZACIVSA-N 1 1 385.537 4.225 20 0 GIADMO CCOCc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1OC ZINC000180504480 822692417 /nfs/dbraw/zinc/69/24/17/822692417.db2.gz WQVXOECLMSQDJO-MOPGFXCFSA-N 1 1 375.534 4.381 20 0 GIADMO CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1OC ZINC000180507603 822693273 /nfs/dbraw/zinc/69/32/73/822693273.db2.gz JUBUVOBXGXPULP-SJORKVTESA-N 1 1 391.533 4.252 20 0 GIADMO Clc1cccc(N2CCCC2)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000180508444 822693585 /nfs/dbraw/zinc/69/35/85/822693585.db2.gz DTNMNZGVQFRIEU-UHFFFAOYSA-N 1 1 391.987 4.017 20 0 GIADMO O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000455660514 822693858 /nfs/dbraw/zinc/69/38/58/822693858.db2.gz HZNLGCZEVUJICA-OAQYLSRUSA-N 1 1 385.552 4.310 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000180511064 822694154 /nfs/dbraw/zinc/69/41/54/822694154.db2.gz AVNNARVTPVPBRC-LJQANCHMSA-N 1 1 386.515 4.130 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@H]3c3c(C)n[nH]c3C)c2)cs1 ZINC000180525683 822696275 /nfs/dbraw/zinc/69/62/75/822696275.db2.gz AKLPOUQORDZHOQ-IBGZPJMESA-N 1 1 395.532 4.234 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H]3c3c(C)n[nH]c3C)c2)cs1 ZINC000180525683 822696277 /nfs/dbraw/zinc/69/62/77/822696277.db2.gz AKLPOUQORDZHOQ-IBGZPJMESA-N 1 1 395.532 4.234 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccccc2CSC)CC1 ZINC000184827491 822696288 /nfs/dbraw/zinc/69/62/88/822696288.db2.gz IGDKHSGZMIPOPE-UHFFFAOYSA-N 1 1 393.597 4.152 20 0 GIADMO Cc1cc(Br)c(F)cc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000184836913 822697695 /nfs/dbraw/zinc/69/76/95/822697695.db2.gz MEGWAGDQLMTVGF-UHFFFAOYSA-N 1 1 398.320 4.379 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc3c(cn2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000455677169 822698322 /nfs/dbraw/zinc/69/83/22/822698322.db2.gz XJSJODGESRYTMM-DYESRHJHSA-N 1 1 378.520 4.087 20 0 GIADMO O=C(Nc1ccc(C2CCC2)cn1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455678085 822698516 /nfs/dbraw/zinc/69/85/16/822698516.db2.gz XAWHYIWTWAYENN-DEOSSOPVSA-N 1 1 390.531 4.479 20 0 GIADMO c1ccc(CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)[C@@H]2CCOC2)cc1 ZINC000180539789 822698630 /nfs/dbraw/zinc/69/86/30/822698630.db2.gz HTRIUBMHQLKKPC-OAQYLSRUSA-N 1 1 375.472 4.103 20 0 GIADMO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1cccc(-c2cccnc2)c1)c1cccs1 ZINC000180543972 822699478 /nfs/dbraw/zinc/69/94/78/822699478.db2.gz GFBYNBCNRJMYPB-SFTDATJTSA-N 1 1 380.513 4.135 20 0 GIADMO O[C@@H](C[C@H]1COCC[N@H+]1Cc1cccc(-c2cccnc2)c1)c1cccs1 ZINC000180543972 822699480 /nfs/dbraw/zinc/69/94/80/822699480.db2.gz GFBYNBCNRJMYPB-SFTDATJTSA-N 1 1 380.513 4.135 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1Cl ZINC000049409471 822700480 /nfs/dbraw/zinc/70/04/80/822700480.db2.gz GXAGFJMCVLXDMW-HXUWFJFHSA-N 1 1 388.939 4.435 20 0 GIADMO CC(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000049442723 822700735 /nfs/dbraw/zinc/70/07/35/822700735.db2.gz NKAOKLUWJIXJIH-SNVBAGLBSA-N 1 1 392.135 4.126 20 0 GIADMO Cc1ccc(-n2c(=O)c3ccccc3nc2SCC[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000049581450 822701824 /nfs/dbraw/zinc/70/18/24/822701824.db2.gz IUDBSNFDDLQPOZ-KRWDZBQOSA-N 1 1 394.544 4.056 20 0 GIADMO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000455693359 822703693 /nfs/dbraw/zinc/70/36/93/822703693.db2.gz DPWUBPAITAPFAE-CQSZACIVSA-N 1 1 398.454 4.034 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180578801 822705678 /nfs/dbraw/zinc/70/56/78/822705678.db2.gz MXHNQLHXTZNGKJ-MRXNPFEDSA-N 1 1 384.373 4.365 20 0 GIADMO CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1OC(F)F ZINC000180601719 822709282 /nfs/dbraw/zinc/70/92/82/822709282.db2.gz FGVKLCISVNFNGV-HOTGVXAUSA-N 1 1 381.419 4.368 20 0 GIADMO C[N@@H+](CCCNC(=O)Nc1nc(CC(F)(F)F)cs1)C1CCCCC1 ZINC000455711558 822710048 /nfs/dbraw/zinc/71/00/48/822710048.db2.gz YOMXSQNZSRUCMA-UHFFFAOYSA-N 1 1 378.464 4.024 20 0 GIADMO COc1cccc([C@@H]([NH2+]Cc2ccc(CO)cc2)c2cc(F)ccc2OC)c1 ZINC000180608730 822711295 /nfs/dbraw/zinc/71/12/95/822711295.db2.gz HLMFOSPDMFEDES-HSZRJFAPSA-N 1 1 381.447 4.214 20 0 GIADMO Cn1cc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c(C2CCCCC2)n1 ZINC000455721569 822713423 /nfs/dbraw/zinc/71/34/23/822713423.db2.gz WKNVCQVHPBUXRM-UHFFFAOYSA-N 1 1 383.540 4.111 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000455721781 822713611 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382.504 4.350 20 0 GIADMO O[C@H](C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cc1 ZINC000051285216 822754293 /nfs/dbraw/zinc/75/42/93/822754293.db2.gz AKDITKCVMLDOJQ-QZTJIDSGSA-N 1 1 393.405 4.347 20 0 GIADMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051286405 822754521 /nfs/dbraw/zinc/75/45/21/822754521.db2.gz PYDWWUKDLXEXEG-QGZVFWFLSA-N 1 1 383.410 4.278 20 0 GIADMO CCOc1cc(C[N@@H+](C)C[C@@H](O)c2ccc(F)cc2F)ccc1OC(F)F ZINC000051323840 822756034 /nfs/dbraw/zinc/75/60/34/822756034.db2.gz AINGOXNCVAYNEL-MRXNPFEDSA-N 1 1 387.373 4.130 20 0 GIADMO COCCC(C)(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000185262446 822756389 /nfs/dbraw/zinc/75/63/89/822756389.db2.gz AHQLITDULSWGRL-UHFFFAOYSA-N 1 1 387.351 4.137 20 0 GIADMO O=C(Nc1ccc2cnccc2c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455971739 822759320 /nfs/dbraw/zinc/75/93/20/822759320.db2.gz ODAZSLZIHDHIKM-YADHBBJMSA-N 1 1 386.499 4.221 20 0 GIADMO O=C(Nc1ccc2cnccc2c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 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CC1(C)CC=C(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000456030084 822768568 /nfs/dbraw/zinc/76/85/68/822768568.db2.gz KPEBXVGHRBWFNR-JOCHJYFZSA-N 1 1 396.575 4.168 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C2CC2)s1 ZINC000185349830 822769405 /nfs/dbraw/zinc/76/94/05/822769405.db2.gz ZCEAEMHVBNRWRI-VBKZILBWSA-N 1 1 383.517 4.458 20 0 GIADMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1OC ZINC000051653526 822771773 /nfs/dbraw/zinc/77/17/73/822771773.db2.gz GMXZDQRRWXYBLN-DOTOQJQBSA-N 1 1 388.533 4.088 20 0 GIADMO CCc1nc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)sc1C ZINC000174336762 822773877 /nfs/dbraw/zinc/77/38/77/822773877.db2.gz QXZRVIOTCSHAGP-UHFFFAOYSA-N 1 1 386.565 4.390 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)C2CC2)s1 ZINC000185372409 822773974 /nfs/dbraw/zinc/77/39/74/822773974.db2.gz JSMYZHPYJRIXMH-INIZCTEOSA-N 1 1 394.338 4.202 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C1 ZINC000174343974 822775405 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GIADMO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000185437192 822783712 /nfs/dbraw/zinc/78/37/12/822783712.db2.gz FOQWHXOQKXECMG-IEBWSBKVSA-N 1 1 383.536 4.251 20 0 GIADMO COc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398851 822784292 /nfs/dbraw/zinc/78/42/92/822784292.db2.gz GSZKMXMBIPBRFA-LJQANCHMSA-N 1 1 390.474 4.251 20 0 GIADMO COc1ccc(-c2cnc(CN(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000174399430 822784373 /nfs/dbraw/zinc/78/43/73/822784373.db2.gz NOXBXLFRVPUZCG-HXUWFJFHSA-N 1 1 391.515 4.304 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1Oc1cccnc1 ZINC000051977418 822784706 /nfs/dbraw/zinc/78/47/06/822784706.db2.gz CHRYDMPCXNFBNX-FQEVSTJZSA-N 1 1 391.471 4.424 20 0 GIADMO Cc1cccc(Cl)c1NC(=O)CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185459099 822787007 /nfs/dbraw/zinc/78/70/07/822787007.db2.gz HBKUUMQFBCSRNW-HNNXBMFYSA-N 1 1 377.941 4.027 20 0 GIADMO O=C(c1ccccc1Oc1cccnc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000052027380 822788336 /nfs/dbraw/zinc/78/83/36/822788336.db2.gz DXLJTRYECRNFGZ-UHFFFAOYSA-N 1 1 387.483 4.222 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000185493552 822790423 /nfs/dbraw/zinc/79/04/23/822790423.db2.gz IKEHAOSKOMONAM-MRXNPFEDSA-N 1 1 389.590 4.401 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000185496299 822790772 /nfs/dbraw/zinc/79/07/72/822790772.db2.gz LWZBGXDVRIKYDR-IBGZPJMESA-N 1 1 397.588 4.253 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000185498648 822791070 /nfs/dbraw/zinc/79/10/70/822791070.db2.gz NNYFZHYAELOTNV-AWEZNQCLSA-N 1 1 388.924 4.330 20 0 GIADMO C[N@@H+](CC1CCC(C(F)(F)F)CC1)C1CCN(CCc2ccccn2)CC1 ZINC000185505363 822791585 /nfs/dbraw/zinc/79/15/85/822791585.db2.gz VRHOBQKJXMKJKP-UHFFFAOYSA-N 1 1 383.502 4.389 20 0 GIADMO COc1ccc2c(c1)oc(C(=O)NCCn1cc[nH+]c1C)c2-c1ccccc1 ZINC000052154014 822791549 /nfs/dbraw/zinc/79/15/49/822791549.db2.gz KLPJQLCHQSQQQF-UHFFFAOYSA-N 1 1 375.428 4.043 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)N2Cc3ccccc3C3(CC3)C2)[C@@H]1c1cccs1 ZINC000185518370 822792781 /nfs/dbraw/zinc/79/27/81/822792781.db2.gz ZSEFVRKRYNCFLV-LAUBAEHRSA-N 1 1 395.572 4.388 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN(C(=O)Nc4cccc(C[NH+](C)C)c4)C3)[nH]c2c1 ZINC000185521484 822793148 /nfs/dbraw/zinc/79/31/48/822793148.db2.gz MNKUFHVOYZNRKJ-SFHVURJKSA-N 1 1 391.519 4.344 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000052255013 822794311 /nfs/dbraw/zinc/79/43/11/822794311.db2.gz JMIUMYJYTMDZSU-UHFFFAOYSA-N 1 1 384.867 4.246 20 0 GIADMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000052283226 822795621 /nfs/dbraw/zinc/79/56/21/822795621.db2.gz VWBTZEPVFKAONH-JTQLQIEISA-N 1 1 382.411 4.275 20 0 GIADMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000052283226 822795623 /nfs/dbraw/zinc/79/56/23/822795623.db2.gz VWBTZEPVFKAONH-JTQLQIEISA-N 1 1 382.411 4.275 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)c1cccc(F)c1 ZINC000052310122 822795748 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C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(C)c2ccccc12 ZINC000185569845 822797476 /nfs/dbraw/zinc/79/74/76/822797476.db2.gz GAZVYBDXDXVDLK-CTNGQTDRSA-N 1 1 389.543 4.262 20 0 GIADMO COc1cccc(-c2ccc(CNC(=O)NC[C@@H](C)Cn3cc[nH+]c3C)cc2)c1 ZINC000174500995 822797535 /nfs/dbraw/zinc/79/75/35/822797535.db2.gz CEVJNLQAALCGAH-QGZVFWFLSA-N 1 1 392.503 4.003 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000174515141 822799657 /nfs/dbraw/zinc/79/96/57/822799657.db2.gz ZODCZHAMSUAGEA-HNNXBMFYSA-N 1 1 393.959 4.129 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000174515155 822799813 /nfs/dbraw/zinc/79/98/13/822799813.db2.gz ZODCZHAMSUAGEA-OAHLLOKOSA-N 1 1 393.959 4.129 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)Cn1cccn1 ZINC000052461002 822800540 /nfs/dbraw/zinc/80/05/40/822800540.db2.gz NBIJKLNDGILWPJ-SFHVURJKSA-N 1 1 383.540 4.105 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCCSc2ccccc2)[C@@H]1c1cccs1 ZINC000174525562 822800901 /nfs/dbraw/zinc/80/09/01/822800901.db2.gz MYXHBQRXIFUPON-VQIMIIECSA-N 1 1 389.590 4.223 20 0 GIADMO CC(C)OC(=O)[C@@H](C)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000174526524 822801171 /nfs/dbraw/zinc/80/11/71/822801171.db2.gz QMKJOWYPZQPGSV-KRWDZBQOSA-N 1 1 389.540 4.160 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@@](C)(O)c1ccco1)C1CCCCC1 ZINC000174526396 822801220 /nfs/dbraw/zinc/80/12/20/822801220.db2.gz KIWWVKODGNUGEG-JOCHJYFZSA-N 1 1 385.508 4.073 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456353115 822801416 /nfs/dbraw/zinc/80/14/16/822801416.db2.gz ZCYXNTWNUXFRDV-GOSISDBHSA-N 1 1 389.499 4.244 20 0 GIADMO CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000052490032 822801421 /nfs/dbraw/zinc/80/14/21/822801421.db2.gz KMPILJLBSDYCNW-QFIPXVFZSA-N 1 1 384.495 4.204 20 0 GIADMO CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000052490032 822801425 /nfs/dbraw/zinc/80/14/25/822801425.db2.gz KMPILJLBSDYCNW-QFIPXVFZSA-N 1 1 384.495 4.204 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000174530704 822801930 /nfs/dbraw/zinc/80/19/30/822801930.db2.gz XMJNCQQILYKLOB-OLZOCXBDSA-N 1 1 375.365 4.274 20 0 GIADMO COC(=O)[C@H]1CCC[C@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000174531834 822802120 /nfs/dbraw/zinc/80/21/20/822802120.db2.gz JEFBTRYZODLEJW-ROUUACIJSA-N 1 1 386.536 4.369 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](Sc2ccccc2F)c2ccccc2)C1 ZINC000174533257 822802226 /nfs/dbraw/zinc/80/22/26/822802226.db2.gz QOVDTTRSTJPJFH-DYESRHJHSA-N 1 1 386.536 4.459 20 0 GIADMO CCOCc1ccccc1CNC(=O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000052518293 822802434 /nfs/dbraw/zinc/80/24/34/822802434.db2.gz OZORMLORXFISOL-QGZVFWFLSA-N 1 1 380.488 4.279 20 0 GIADMO CCOCc1ccccc1CNC(=O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000052518293 822802437 /nfs/dbraw/zinc/80/24/37/822802437.db2.gz OZORMLORXFISOL-QGZVFWFLSA-N 1 1 380.488 4.279 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000174537119 822802644 /nfs/dbraw/zinc/80/26/44/822802644.db2.gz ZMFVUMUCGKYCAJ-LJQANCHMSA-N 1 1 378.516 4.117 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000185623358 822803563 /nfs/dbraw/zinc/80/35/63/822803563.db2.gz LZWDRNJAULXEGV-QGZVFWFLSA-N 1 1 386.499 4.499 20 0 GIADMO CCOc1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc(Cl)c1OC ZINC000185641252 822805936 /nfs/dbraw/zinc/80/59/36/822805936.db2.gz IPYSTGMCJKTEER-UHFFFAOYSA-N 1 1 375.896 4.231 20 0 GIADMO CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1Cl)c1ccccc1 ZINC000174568133 822805980 /nfs/dbraw/zinc/80/59/80/822805980.db2.gz WCPUGJJXGDYGND-FQEVSTJZSA-N 1 1 379.891 4.099 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000185647448 822806385 /nfs/dbraw/zinc/80/63/85/822806385.db2.gz YLLZAHHSHPVEPN-LBPRGKRZSA-N 1 1 395.404 4.238 20 0 GIADMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)cc1 ZINC000185647376 822806434 /nfs/dbraw/zinc/80/64/34/822806434.db2.gz KAYSECTXQNPCOX-MRXNPFEDSA-N 1 1 396.512 4.137 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2cccnc2C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174574795 822806861 /nfs/dbraw/zinc/80/68/61/822806861.db2.gz SAXVBXDODDHARU-QHCPKHFHSA-N 1 1 394.540 4.290 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2cccc(O)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174574518 822806915 /nfs/dbraw/zinc/80/69/15/822806915.db2.gz RNIPKDITKJJFRJ-QHCPKHFHSA-N 1 1 395.524 4.292 20 0 GIADMO COc1ccc(-c2ccc(C[NH2+]Cc3nccn3CC(F)(F)F)cc2)cc1 ZINC000174575999 822807246 /nfs/dbraw/zinc/80/72/46/822807246.db2.gz AIFDKIPHXYNRLS-UHFFFAOYSA-N 1 1 375.394 4.411 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2ccccc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000174589469 822808850 /nfs/dbraw/zinc/80/88/50/822808850.db2.gz XSLDUHNIGIDUIE-HXUWFJFHSA-N 1 1 392.547 4.415 20 0 GIADMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000052746565 822809130 /nfs/dbraw/zinc/80/91/30/822809130.db2.gz YTSFMAAIAUCQRO-UHFFFAOYSA-N 1 1 393.462 4.184 20 0 GIADMO C[N@@H+](CCSc1nnc(-c2ccncc2)n1C1CC1)Cc1ccc(F)cc1 ZINC000185684844 822809904 /nfs/dbraw/zinc/80/99/04/822809904.db2.gz HKOMKMOFGGIZNI-UHFFFAOYSA-N 1 1 383.496 4.038 20 0 GIADMO CCOc1ccccc1-c1nnc(SCC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000185684424 822809998 /nfs/dbraw/zinc/80/99/98/822809998.db2.gz SUSYJMZDYSVWQT-UHFFFAOYSA-N 1 1 387.480 4.499 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[N@H+]1C ZINC000174597668 822810134 /nfs/dbraw/zinc/81/01/34/822810134.db2.gz OIYUPWJJLZWFBX-GOEBONIOSA-N 1 1 398.473 4.252 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000052777228 822810390 /nfs/dbraw/zinc/81/03/90/822810390.db2.gz DTMOKASLBAFWND-UHFFFAOYSA-N 1 1 394.563 4.172 20 0 GIADMO C[C@H](NC(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc2ccccc21 ZINC000185689507 822810394 /nfs/dbraw/zinc/81/03/94/822810394.db2.gz VTHWXEWVZRWYBK-IRFCIJBXSA-N 1 1 393.575 4.260 20 0 GIADMO COc1ccccc1Cc1nnc(SCC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000185691134 822810562 /nfs/dbraw/zinc/81/05/62/822810562.db2.gz BEVWBBPXDJCACY-UHFFFAOYSA-N 1 1 387.480 4.032 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000174603421 822811018 /nfs/dbraw/zinc/81/10/18/822811018.db2.gz ZCPVUIZXCBVCEI-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000174603421 822811021 /nfs/dbraw/zinc/81/10/21/822811021.db2.gz ZCPVUIZXCBVCEI-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO CC(C)[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174608518 822811920 /nfs/dbraw/zinc/81/19/20/822811920.db2.gz UDKNTMQAXNWLJQ-SQNIBIBYSA-N 1 1 383.458 4.281 20 0 GIADMO Cc1cc(C)c(NC(=O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710709 822812889 /nfs/dbraw/zinc/81/28/89/822812889.db2.gz HYFUIJISXNUJCA-IRXDYDNUSA-N 1 1 377.960 4.138 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C)c1cccc(O)c1 ZINC000174615764 822812997 /nfs/dbraw/zinc/81/29/97/822812997.db2.gz LCTOGQJYGMXLQR-AWEZNQCLSA-N 1 1 376.884 4.466 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1Br)[C@@H](C)c1cccc(O)c1 ZINC000174617994 822813280 /nfs/dbraw/zinc/81/32/80/822813280.db2.gz SUVZSMDACXYGPT-ZDUSSCGKSA-N 1 1 377.282 4.176 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1Br)[C@@H](C)c1cccc(O)c1 ZINC000174617994 822813284 /nfs/dbraw/zinc/81/32/84/822813284.db2.gz SUVZSMDACXYGPT-ZDUSSCGKSA-N 1 1 377.282 4.176 20 0 GIADMO O=C(c1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1)N1CCCC1 ZINC000052866155 822813248 /nfs/dbraw/zinc/81/32/48/822813248.db2.gz VFRIDNSMOPPVPS-QHCPKHFHSA-N 1 1 378.516 4.104 20 0 GIADMO COc1ccccc1[C@@H](CNC1CC[NH+](Cc2ccccc2)CC1)OC(C)C ZINC000185725328 822814856 /nfs/dbraw/zinc/81/48/56/822814856.db2.gz DVZAVTSPSCPIFH-XMMPIXPASA-N 1 1 382.548 4.416 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000174632669 822814999 /nfs/dbraw/zinc/81/49/99/822814999.db2.gz WLPXVLGIGSFQQH-ZWKOTPCHSA-N 1 1 389.540 4.212 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000052909567 822815030 /nfs/dbraw/zinc/81/50/30/822815030.db2.gz KTAHQJTZUSJCDB-MRXNPFEDSA-N 1 1 389.540 4.126 20 0 GIADMO C[C@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728416 822815277 /nfs/dbraw/zinc/81/52/77/822815277.db2.gz WGVVLCQBGWVMLZ-LPHOPBHVSA-N 1 1 380.532 4.024 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000052954869 822816718 /nfs/dbraw/zinc/81/67/18/822816718.db2.gz QTAMKIWAEMGEIB-OAHLLOKOSA-N 1 1 391.968 4.387 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC4(CCC4)[C@H]3c3ccco3)cc2)C[C@H](C)O1 ZINC000456571239 822817165 /nfs/dbraw/zinc/81/71/65/822817165.db2.gz REMYBDIRVOJNKX-KGVIQGDOSA-N 1 1 394.515 4.256 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC4(CCC4)[C@H]3c3ccco3)cc2)C[C@H](C)O1 ZINC000456571239 822817168 /nfs/dbraw/zinc/81/71/68/822817168.db2.gz REMYBDIRVOJNKX-KGVIQGDOSA-N 1 1 394.515 4.256 20 0 GIADMO Cc1cc(-c2noc([C@H](C)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)ccc1F ZINC000185749219 822817448 /nfs/dbraw/zinc/81/74/48/822817448.db2.gz FGPTYEWSPWWGIW-SOLBZPMBSA-N 1 1 386.515 4.488 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2cccs2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174650376 822817776 /nfs/dbraw/zinc/81/77/76/822817776.db2.gz LPJWSMFREYXGMZ-FQEVSTJZSA-N 1 1 387.526 4.039 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)o2)c(C)c1 ZINC000053010455 822818518 /nfs/dbraw/zinc/81/85/18/822818518.db2.gz UIJKZHUSZQOWBN-SFHVURJKSA-N 1 1 382.460 4.101 20 0 GIADMO C[N@@H+](Cc1ccc(Cl)c2cccnc12)C1CCN(CCc2ccccn2)CC1 ZINC000174655112 822818618 /nfs/dbraw/zinc/81/86/18/822818618.db2.gz HCYSAEWBXUQMIR-UHFFFAOYSA-N 1 1 394.950 4.422 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)[C@H](C(F)(F)F)C1 ZINC000456593238 822818679 /nfs/dbraw/zinc/81/86/79/822818679.db2.gz RUCVNAXWVVGVKD-FMKPAKJESA-N 1 1 384.442 4.242 20 0 GIADMO C[N@@H+](Cc1cccc2ccccc21)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000053017022 822818820 /nfs/dbraw/zinc/81/88/20/822818820.db2.gz PIKSQBVOYVBZNC-UHFFFAOYSA-N 1 1 375.497 4.259 20 0 GIADMO C[N@H+](Cc1cccc2ccccc21)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000053017022 822818823 /nfs/dbraw/zinc/81/88/23/822818823.db2.gz PIKSQBVOYVBZNC-UHFFFAOYSA-N 1 1 375.497 4.259 20 0 GIADMO Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000053051930 822819858 /nfs/dbraw/zinc/81/98/58/822819858.db2.gz CNVXPSSEWUPELQ-UHFFFAOYSA-N 1 1 377.488 4.049 20 0 GIADMO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@H](C)c1ccc(F)cc1 ZINC000053088988 822821206 /nfs/dbraw/zinc/82/12/06/822821206.db2.gz HVJBAYJTNOJDEH-LJQANCHMSA-N 1 1 398.522 4.073 20 0 GIADMO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000185801426 822822368 /nfs/dbraw/zinc/82/23/68/822822368.db2.gz XOSOFXJDQYWXRI-AWEZNQCLSA-N 1 1 388.265 4.429 20 0 GIADMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000185801426 822822371 /nfs/dbraw/zinc/82/23/71/822822371.db2.gz XOSOFXJDQYWXRI-AWEZNQCLSA-N 1 1 388.265 4.429 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+](C)[C@@H](C)c3cc(F)ccc3F)cc(=O)oc2c1 ZINC000053125901 822822852 /nfs/dbraw/zinc/82/28/52/822822852.db2.gz PCBJYQIOJQBUQF-LBPRGKRZSA-N 1 1 386.398 4.223 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+](C)[C@@H](C)c3cc(F)ccc3F)cc(=O)oc2c1 ZINC000053125901 822822855 /nfs/dbraw/zinc/82/28/55/822822855.db2.gz PCBJYQIOJQBUQF-LBPRGKRZSA-N 1 1 386.398 4.223 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000174684121 822822932 /nfs/dbraw/zinc/82/29/32/822822932.db2.gz OUZUDLSKLGPVBX-NZQKXSOJSA-N 1 1 378.541 4.078 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1sc2ccccc2c1Cl ZINC000053179949 822824905 /nfs/dbraw/zinc/82/49/05/822824905.db2.gz TYUGTNHJYPBSIM-UHFFFAOYSA-N 1 1 382.876 4.374 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCSc1ccc(Cl)cc1 ZINC000053179716 822825009 /nfs/dbraw/zinc/82/50/09/822825009.db2.gz VMNQVMXPTYJXIW-UHFFFAOYSA-N 1 1 386.908 4.028 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cn(CC(C)C)c2ccccc12 ZINC000053182771 822825101 /nfs/dbraw/zinc/82/51/01/822825101.db2.gz CSIJIHARVSRINI-UHFFFAOYSA-N 1 1 387.487 4.116 20 0 GIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[nH]c2c1C(=O)CCC2 ZINC000053189681 822825641 /nfs/dbraw/zinc/82/56/41/822825641.db2.gz VTIVLEOFKCDXGX-OAHLLOKOSA-N 1 1 379.504 4.326 20 0 GIADMO CCCc1noc(CCCC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000053191158 822825699 /nfs/dbraw/zinc/82/56/99/822825699.db2.gz WIAAMUUOHSEVSZ-KRWDZBQOSA-N 1 1 384.524 4.215 20 0 GIADMO COc1ccc2c(c1)nc(C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)n2C ZINC000185840685 822826287 /nfs/dbraw/zinc/82/62/87/822826287.db2.gz DITDNXYWIBOLSA-UHFFFAOYSA-N 1 1 381.810 4.127 20 0 GIADMO CCC(CC)(C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC000174712309 822827253 /nfs/dbraw/zinc/82/72/53/822827253.db2.gz NCCANVVXHJFRIL-UHFFFAOYSA-N 1 1 397.563 4.378 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cnc(C3CC3)o2)c1 ZINC000456757010 822829455 /nfs/dbraw/zinc/82/94/55/822829455.db2.gz FWHBZUVSRIWJCU-UHFFFAOYSA-N 1 1 375.472 4.114 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)c1cn(C)c2ccccc12 ZINC000185893978 822830723 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4.266 20 0 GIADMO COc1ccc2oc([C@@H](C)NC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)c(C)c2c1 ZINC000174779965 822835974 /nfs/dbraw/zinc/83/59/74/822835974.db2.gz DTUUBAPFXKQPMB-SJORKVTESA-N 1 1 387.524 4.327 20 0 GIADMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782127 822836362 /nfs/dbraw/zinc/83/63/62/822836362.db2.gz FBCZESHYFIDUJP-AUSIDOKSSA-N 1 1 379.548 4.344 20 0 GIADMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782127 822836365 /nfs/dbraw/zinc/83/63/65/822836365.db2.gz FBCZESHYFIDUJP-AUSIDOKSSA-N 1 1 379.548 4.344 20 0 GIADMO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000456833660 822836425 /nfs/dbraw/zinc/83/64/25/822836425.db2.gz FYJZXUBGEVUDIJ-GMAHTHKFSA-N 1 1 396.506 4.089 20 0 GIADMO Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000456833660 822836428 /nfs/dbraw/zinc/83/64/28/822836428.db2.gz FYJZXUBGEVUDIJ-GMAHTHKFSA-N 1 1 396.506 4.089 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C(C)C)c2)oc1C ZINC000174792471 822837505 /nfs/dbraw/zinc/83/75/05/822837505.db2.gz BOLRFVPJXIWRDO-VQTJNVASSA-N 1 1 382.508 4.437 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccco1 ZINC000053525443 822838907 /nfs/dbraw/zinc/83/89/07/822838907.db2.gz ORUFCZFNRQPQCP-NVXWUHKLSA-N 1 1 398.532 4.081 20 0 GIADMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccc(CSc3ccccn3)c1)C2 ZINC000174803035 822839480 /nfs/dbraw/zinc/83/94/80/822839480.db2.gz DJNHJISVPOKZMN-RBUKOAKNSA-N 1 1 382.533 4.074 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-c3cc[nH]n3)c2)[C@@H]1c1cccs1 ZINC000185983232 822840836 /nfs/dbraw/zinc/84/08/36/822840836.db2.gz KUEJCUYFMZEYSD-OXJNMPFZSA-N 1 1 395.532 4.343 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000174814370 822841005 /nfs/dbraw/zinc/84/10/05/822841005.db2.gz DMDOYWKCNRXPBR-QFBILLFUSA-N 1 1 386.540 4.072 20 0 GIADMO Cc1cccc(COc2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2)c1 ZINC000174817801 822841524 /nfs/dbraw/zinc/84/15/24/822841524.db2.gz IMDWOLNMKYFLOT-RTWAWAEBSA-N 1 1 379.504 4.274 20 0 GIADMO CCOc1cccc2cc([C@@H](C)NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)oc21 ZINC000174830393 822843185 /nfs/dbraw/zinc/84/31/85/822843185.db2.gz GWWXQKJXASAFIV-CCNLRDMRSA-N 1 1 385.508 4.207 20 0 GIADMO O=C(c1cc(C2CC2)nc2ccc(F)cc21)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456980211 822844440 /nfs/dbraw/zinc/84/44/40/822844440.db2.gz CQRNTTTWKQGCSF-QFIPXVFZSA-N 1 1 375.447 4.038 20 0 GIADMO Cc1ccc(-c2nc(C(=O)N3CC[NH2+][C@@H](c4ccccc4)C3)cs2)c(C)c1 ZINC000456982222 822844619 /nfs/dbraw/zinc/84/46/19/822844619.db2.gz GNEWFUWBIUACSR-LJQANCHMSA-N 1 1 377.513 4.214 20 0 GIADMO COc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000053682254 822844775 /nfs/dbraw/zinc/84/47/75/822844775.db2.gz GRUYGBPTWMIPEI-ZDUSSCGKSA-N 1 1 397.302 4.340 20 0 GIADMO COc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000053682254 822844779 /nfs/dbraw/zinc/84/47/79/822844779.db2.gz GRUYGBPTWMIPEI-ZDUSSCGKSA-N 1 1 397.302 4.340 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)[nH+]c1 ZINC000186033725 822845686 /nfs/dbraw/zinc/84/56/86/822845686.db2.gz DAVJRKCSYNWYKK-UHFFFAOYSA-N 1 1 397.828 4.461 20 0 GIADMO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186056045 822847748 /nfs/dbraw/zinc/84/77/48/822847748.db2.gz ZPMCCJBIDNNTTN-OAHLLOKOSA-N 1 1 380.879 4.304 20 0 GIADMO COc1c(C)ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000174896440 822852195 /nfs/dbraw/zinc/85/21/95/822852195.db2.gz CNXYMMPTTTZARA-FQEVSTJZSA-N 1 1 381.520 4.298 20 0 GIADMO COc1ccc(Br)cc1-c1nc(C[NH+]2CCC(OC)CC2)cs1 ZINC000053897598 822852295 /nfs/dbraw/zinc/85/22/95/822852295.db2.gz XVSNQMGRAPSJIU-UHFFFAOYSA-N 1 1 397.338 4.192 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000174904759 822853508 /nfs/dbraw/zinc/85/35/08/822853508.db2.gz SDQMBEZPQJPXAV-JOCHJYFZSA-N 1 1 380.532 4.312 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cc2)cs1 ZINC000457109468 822853905 /nfs/dbraw/zinc/85/39/05/822853905.db2.gz GXMWHSSWFPOYHI-SFHVURJKSA-N 1 1 389.590 4.299 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000457120201 822855209 /nfs/dbraw/zinc/85/52/09/822855209.db2.gz NWYJBBDMKXXYSS-ZDUSSCGKSA-N 1 1 383.970 4.009 20 0 GIADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1cccc(Cl)c1Cl ZINC000053985105 822855377 /nfs/dbraw/zinc/85/53/77/822855377.db2.gz URVRIPSIAWCVQE-UHFFFAOYSA-N 1 1 394.302 4.147 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000457132388 822856288 /nfs/dbraw/zinc/85/62/88/822856288.db2.gz USVGOXOIRGHOBY-SFHVURJKSA-N 1 1 387.524 4.068 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174925966 822856951 /nfs/dbraw/zinc/85/69/51/822856951.db2.gz MLNKKDDUQZHRAZ-QGZVFWFLSA-N 1 1 391.437 4.003 20 0 GIADMO O=C(NCc1nc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cs1)c1ccccc1 ZINC000186161238 822857050 /nfs/dbraw/zinc/85/70/50/822857050.db2.gz JKATXSJJGXPKNK-UHFFFAOYSA-N 1 1 389.524 4.121 20 0 GIADMO O=C(NCc1nc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cs1)c1ccccc1 ZINC000186161238 822857054 /nfs/dbraw/zinc/85/70/54/822857054.db2.gz JKATXSJJGXPKNK-UHFFFAOYSA-N 1 1 389.524 4.121 20 0 GIADMO CSCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186177533 822858315 /nfs/dbraw/zinc/85/83/15/822858315.db2.gz IMSMFIBAIXZUBO-QUCCMNQESA-N 1 1 377.598 4.214 20 0 GIADMO Cc1c2cccc(Br)c2oc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457165026 822858403 /nfs/dbraw/zinc/85/84/03/822858403.db2.gz JOFPGXYMZXHQQS-UHFFFAOYSA-N 1 1 379.298 4.108 20 0 GIADMO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457170470 822858759 /nfs/dbraw/zinc/85/87/59/822858759.db2.gz QMZSVKDGNSNPEJ-UHFFFAOYSA-N 1 1 379.476 4.001 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCC[N@H+](C)C2CC2)o1 ZINC000457171928 822858958 /nfs/dbraw/zinc/85/89/58/822858958.db2.gz JDZYEBXSIOMGQK-UHFFFAOYSA-N 1 1 392.503 4.045 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000174946698 822859627 /nfs/dbraw/zinc/85/96/27/822859627.db2.gz DUUZAFXGCKGXJB-HNNXBMFYSA-N 1 1 392.341 4.268 20 0 GIADMO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457201931 822860427 /nfs/dbraw/zinc/86/04/27/822860427.db2.gz MPSDFJHSIXGCJJ-UHFFFAOYSA-N 1 1 383.970 4.438 20 0 GIADMO COc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000174952769 822860404 /nfs/dbraw/zinc/86/04/04/822860404.db2.gz XLJRQVAOVFFUEX-FQEVSTJZSA-N 1 1 396.531 4.077 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000174954500 822860719 /nfs/dbraw/zinc/86/07/19/822860719.db2.gz DBAMYOTWPJYQHO-KRWDZBQOSA-N 1 1 381.907 4.415 20 0 GIADMO CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457213402 822860957 /nfs/dbraw/zinc/86/09/57/822860957.db2.gz YXTWSTHSLPWDFV-INIZCTEOSA-N 1 1 381.358 4.008 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)Cn3ccc4ccc(Cl)cc43)cc2)CC1 ZINC000054083023 822861690 /nfs/dbraw/zinc/86/16/90/822861690.db2.gz GRHOCWJXNWIARB-UHFFFAOYSA-N 1 1 396.922 4.075 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC1CC1 ZINC000174962351 822862032 /nfs/dbraw/zinc/86/20/32/822862032.db2.gz ZAUNFUDQFGOZMS-NRFANRHFSA-N 1 1 378.516 4.070 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000054164358 822864742 /nfs/dbraw/zinc/86/47/42/822864742.db2.gz BYUDLTRWIKESPD-UHFFFAOYSA-N 1 1 393.450 4.207 20 0 GIADMO O=c1[nH]c(CC[N@H+]2CCc3sccc3[C@H]2c2cccs2)nc2ccccc21 ZINC000054172876 822865668 /nfs/dbraw/zinc/86/56/68/822865668.db2.gz BIFMAKYJEMJGGB-FQEVSTJZSA-N 1 1 393.537 4.236 20 0 GIADMO O=C(Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000457323586 822865801 /nfs/dbraw/zinc/86/58/01/822865801.db2.gz HSTNBDWONKBSAX-IBGZPJMESA-N 1 1 395.469 4.300 20 0 GIADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000054174982 822865862 /nfs/dbraw/zinc/86/58/62/822865862.db2.gz WGMWSYXZUPBXMV-CQSZACIVSA-N 1 1 397.332 4.059 20 0 GIADMO C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1nc(-c2ccccc2)cs1 ZINC000568971586 822866537 /nfs/dbraw/zinc/86/65/37/822866537.db2.gz LHTZDHHAMKAQLJ-YJBOKZPZSA-N 1 1 384.549 4.187 20 0 GIADMO CC(C)c1nc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Br)cc2)cs1 ZINC000186264602 822867014 /nfs/dbraw/zinc/86/70/14/822867014.db2.gz BVWSENBHXQTEFJ-GFCCVEGCSA-N 1 1 396.354 4.110 20 0 GIADMO COc1cccc(F)c1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000186271192 822867911 /nfs/dbraw/zinc/86/79/11/822867911.db2.gz XUYDEGKOEZFUDR-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO COc1cccc(F)c1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000186271192 822867913 /nfs/dbraw/zinc/86/79/13/822867913.db2.gz XUYDEGKOEZFUDR-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO C[C@H](Cc1cccs1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175020455 822868678 /nfs/dbraw/zinc/86/86/78/822868678.db2.gz LRZJTLSUDAFMNH-RKVPGOIHSA-N 1 1 377.579 4.123 20 0 GIADMO CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000569006101 822869044 /nfs/dbraw/zinc/86/90/44/822869044.db2.gz IZGHXKMROAHTFE-IBGZPJMESA-N 1 1 396.583 4.149 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)C1 ZINC000054222980 822869157 /nfs/dbraw/zinc/86/91/57/822869157.db2.gz QKFFCBAUAMNBQF-APWZRJJASA-N 1 1 392.528 4.100 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)N[C@@H](C)c3ccccc3Cl)CCCC2)n1 ZINC000175022471 822869208 /nfs/dbraw/zinc/86/92/08/822869208.db2.gz NBPHANUBTXGVNZ-AWEZNQCLSA-N 1 1 377.941 4.341 20 0 GIADMO Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223413 822869234 /nfs/dbraw/zinc/86/92/34/822869234.db2.gz BCAZUPVDSOAXGJ-YWZLYKJASA-N 1 1 393.462 4.354 20 0 GIADMO Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2)cs1 ZINC000054224765 822869619 /nfs/dbraw/zinc/86/96/19/822869619.db2.gz FXURZBUBCMCPBK-KBXCAEBGSA-N 1 1 380.517 4.012 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)CC2)[nH+]1 ZINC000175028483 822870793 /nfs/dbraw/zinc/87/07/93/822870793.db2.gz ZSIZQQCWRAWQFT-APWZRJJASA-N 1 1 382.508 4.135 20 0 GIADMO O=S1(=O)CC[C@@H]([NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)c2ccccc21 ZINC000186287828 822871120 /nfs/dbraw/zinc/87/11/20/822871120.db2.gz FCFFKWVXPZIWTJ-MOPGFXCFSA-N 1 1 383.513 4.331 20 0 GIADMO O=c1[nH]c(CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)nc2ccccc21 ZINC000054271552 822872215 /nfs/dbraw/zinc/87/22/15/822872215.db2.gz REOHAZQIQXXWER-UHFFFAOYSA-N 1 1 388.298 4.437 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@H](C)c4cccc(O)c43)cc2)C[C@H](C)O1 ZINC000186302753 822873498 /nfs/dbraw/zinc/87/34/98/822873498.db2.gz SFGARGFEWKMVIC-OKZBNKHCSA-N 1 1 394.515 4.155 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@H](C)c4cccc(O)c43)cc2)C[C@H](C)O1 ZINC000186302753 822873504 /nfs/dbraw/zinc/87/35/04/822873504.db2.gz SFGARGFEWKMVIC-OKZBNKHCSA-N 1 1 394.515 4.155 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175050199 822873873 /nfs/dbraw/zinc/87/38/73/822873873.db2.gz DZJJBJFIZCDVBT-UHFFFAOYSA-N 1 1 393.462 4.009 20 0 GIADMO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)c2ccccc21 ZINC000186309777 822874301 /nfs/dbraw/zinc/87/43/01/822874301.db2.gz NCLSSEYPAWPMNA-SJORKVTESA-N 1 1 377.893 4.062 20 0 GIADMO C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000569054336 822874524 /nfs/dbraw/zinc/87/45/24/822874524.db2.gz HPBHXVRFGGVWRV-COPCDDAFSA-N 1 1 388.515 4.252 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@H](C)C2CCCCC2)c1 ZINC000175056602 822875044 /nfs/dbraw/zinc/87/50/44/822875044.db2.gz VZFSINKCYFOIBI-QGZVFWFLSA-N 1 1 396.535 4.078 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000054323442 822876361 /nfs/dbraw/zinc/87/63/61/822876361.db2.gz FIHPZEFQIKWGLJ-AWEZNQCLSA-N 1 1 387.351 4.308 20 0 GIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@]2(C)CC=CCC2)c1 ZINC000569079649 822877886 /nfs/dbraw/zinc/87/78/86/822877886.db2.gz UWECOZYWLZCMIS-KSFYIVLOSA-N 1 1 387.499 4.324 20 0 GIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@]2(C)CC=CCC2)c1 ZINC000569079649 822877889 /nfs/dbraw/zinc/87/78/89/822877889.db2.gz UWECOZYWLZCMIS-KSFYIVLOSA-N 1 1 387.499 4.324 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000457472943 822878447 /nfs/dbraw/zinc/87/84/47/822878447.db2.gz REJQCWBUTLINBS-HIFRSBDPSA-N 1 1 393.350 4.384 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)CCN2 ZINC000569083591 822878529 /nfs/dbraw/zinc/87/85/29/822878529.db2.gz CSWNXINXKAUYQH-OAQYLSRUSA-N 1 1 378.520 4.077 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1)CC(F)(F)F ZINC000186349866 822879995 /nfs/dbraw/zinc/87/99/95/822879995.db2.gz AYBUBFWQLXISPT-MRXNPFEDSA-N 1 1 386.458 4.038 20 0 GIADMO CCCCc1noc(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)n1 ZINC000054392917 822881560 /nfs/dbraw/zinc/88/15/60/822881560.db2.gz JYKBNIWSNSIOSL-UHFFFAOYSA-N 1 1 385.487 4.016 20 0 GIADMO CCCCc1noc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)n1 ZINC000054392917 822881563 /nfs/dbraw/zinc/88/15/63/822881563.db2.gz JYKBNIWSNSIOSL-UHFFFAOYSA-N 1 1 385.487 4.016 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CC1 ZINC000054396683 822881878 /nfs/dbraw/zinc/88/18/78/822881878.db2.gz ZICDTOSSUKIUFM-HNNXBMFYSA-N 1 1 399.922 4.206 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CC1 ZINC000054396683 822881884 /nfs/dbraw/zinc/88/18/84/822881884.db2.gz ZICDTOSSUKIUFM-HNNXBMFYSA-N 1 1 399.922 4.206 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(O)ccc3Cl)C2)s1 ZINC000569130809 822882323 /nfs/dbraw/zinc/88/23/23/822882323.db2.gz RFYUNDMTBHWZKB-CQSZACIVSA-N 1 1 378.925 4.010 20 0 GIADMO CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054412252 822883311 /nfs/dbraw/zinc/88/33/11/822883311.db2.gz ATWBGXRTNXFPPZ-PXNSSMCTSA-N 1 1 394.519 4.301 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000569141696 822883462 /nfs/dbraw/zinc/88/34/62/822883462.db2.gz PNPDDEBEUQYEFT-RHSMWYFYSA-N 1 1 384.442 4.385 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000569141696 822883468 /nfs/dbraw/zinc/88/34/68/822883468.db2.gz PNPDDEBEUQYEFT-RHSMWYFYSA-N 1 1 384.442 4.385 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3cccnc3)cc2)[C@H]1c1ccccc1 ZINC000569149518 822884356 /nfs/dbraw/zinc/88/43/56/822884356.db2.gz MJYQXZBHXHWWHT-FCHUYYIVSA-N 1 1 388.471 4.441 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2CCC(c3ccccc3)CC2)cc1 ZINC000175113508 822884939 /nfs/dbraw/zinc/88/49/39/822884939.db2.gz NMMLZWDFLWJQFK-UHFFFAOYSA-N 1 1 379.504 4.099 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(F)(F)[C@@H](C)C2)C1 ZINC000569165488 822886904 /nfs/dbraw/zinc/88/69/04/822886904.db2.gz QWYZVOBSHOHGRT-IRXDYDNUSA-N 1 1 379.495 4.105 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1c(Cl)cccc1Cl ZINC000175123058 822886986 /nfs/dbraw/zinc/88/69/86/822886986.db2.gz FOWYQIJLJDIRJL-INIZCTEOSA-N 1 1 377.315 4.288 20 0 GIADMO Fc1ccc([C@@H]2C[C@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c(F)c1 ZINC000569168968 822887541 /nfs/dbraw/zinc/88/75/41/822887541.db2.gz CRSZDKRUMUNVOQ-RBUKOAKNSA-N 1 1 397.425 4.118 20 0 GIADMO CCc1cccc(Oc2ccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cn2)c1 ZINC000175125424 822887576 /nfs/dbraw/zinc/88/75/76/822887576.db2.gz VJVYJFNVAWTLQM-VQIMIIECSA-N 1 1 382.508 4.383 20 0 GIADMO CC1(C)OCc2cc(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172408 822888395 /nfs/dbraw/zinc/88/83/95/822888395.db2.gz VAJQHXCVGBPYHY-RUZDIDTESA-N 1 1 392.543 4.430 20 0 GIADMO CC(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175133343 822889080 /nfs/dbraw/zinc/88/90/80/822889080.db2.gz KIYBZALABMCLRN-JXFKEZNVSA-N 1 1 399.560 4.009 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000054510871 822891556 /nfs/dbraw/zinc/89/15/56/822891556.db2.gz LKDAOAMNCCCFFZ-CRAIPNDOSA-N 1 1 394.357 4.028 20 0 GIADMO COc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1F ZINC000175146320 822891721 /nfs/dbraw/zinc/89/17/21/822891721.db2.gz GSYQDDWCVIZDJT-UHFFFAOYSA-N 1 1 397.450 4.381 20 0 GIADMO COc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1F ZINC000175146320 822891724 /nfs/dbraw/zinc/89/17/24/822891724.db2.gz GSYQDDWCVIZDJT-UHFFFAOYSA-N 1 1 397.450 4.381 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)C1 ZINC000054511422 822891781 /nfs/dbraw/zinc/89/17/81/822891781.db2.gz VYTQMJBUBBHONB-FQEVSTJZSA-N 1 1 396.535 4.022 20 0 GIADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc(-c4cnco4)cc3)sc2C1 ZINC000569215508 822893718 /nfs/dbraw/zinc/89/37/18/822893718.db2.gz YYDYRLBIMXSLOF-UHFFFAOYSA-N 1 1 382.489 4.207 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186435582 822895004 /nfs/dbraw/zinc/89/50/04/822895004.db2.gz UNAGVIVQFJRMEH-QHCPKHFHSA-N 1 1 377.463 4.260 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)COCc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000457588815 822895372 /nfs/dbraw/zinc/89/53/72/822895372.db2.gz DFZMJDSTTMVIJT-OXJNMPFZSA-N 1 1 392.952 4.117 20 0 GIADMO C(C1CCCCC1)[N@H+]1CCCN(c2nnc([C@@H]3CCCS3)n2C2CC2)CC1 ZINC000569252344 822896889 /nfs/dbraw/zinc/89/68/89/822896889.db2.gz JXLKFKOVPICIEH-IBGZPJMESA-N 1 1 389.613 4.274 20 0 GIADMO C(C1CCCCC1)[N@H+]1CCCN(c2nnc([C@H]3CCCS3)n2C2CC2)CC1 ZINC000569252353 822896896 /nfs/dbraw/zinc/89/68/96/822896896.db2.gz JXLKFKOVPICIEH-LJQANCHMSA-N 1 1 389.613 4.274 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000054609001 822898774 /nfs/dbraw/zinc/89/87/74/822898774.db2.gz DRJKSVFKZSVUMB-HNNXBMFYSA-N 1 1 389.459 4.191 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1-n1cccn1 ZINC000186463905 822899521 /nfs/dbraw/zinc/89/95/21/822899521.db2.gz AUEXMBFHERABJP-HNNXBMFYSA-N 1 1 392.894 4.172 20 0 GIADMO NC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000054620145 822899613 /nfs/dbraw/zinc/89/96/13/822899613.db2.gz XNHXLPAUHXIBMS-SFHVURJKSA-N 1 1 385.920 4.356 20 0 GIADMO COc1ccc(Nc2ccccc2C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000054625454 822900065 /nfs/dbraw/zinc/90/00/65/822900065.db2.gz QDCUMEHCWXKSSB-INIZCTEOSA-N 1 1 378.476 4.010 20 0 GIADMO COc1ccc(Nc2ccccc2C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000054625455 822900081 /nfs/dbraw/zinc/90/00/81/822900081.db2.gz QDCUMEHCWXKSSB-MRXNPFEDSA-N 1 1 378.476 4.010 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCc2ccccc2C(F)(F)F)CC1 ZINC000054650076 822901646 /nfs/dbraw/zinc/90/16/46/822901646.db2.gz XFXRARQSGPPOAU-UHFFFAOYSA-N 1 1 385.474 4.010 20 0 GIADMO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000457654127 822902034 /nfs/dbraw/zinc/90/20/34/822902034.db2.gz BQCUDBOPWOWPCF-AVRDEDQJSA-N 1 1 391.515 4.271 20 0 GIADMO COc1cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)ccc1OC(F)F ZINC000186486862 822903125 /nfs/dbraw/zinc/90/31/25/822903125.db2.gz IQEYZGLFQGNMIN-UHFFFAOYSA-N 1 1 399.384 4.058 20 0 GIADMO C[C@H](CC(F)(F)F)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457675537 822904927 /nfs/dbraw/zinc/90/49/27/822904927.db2.gz ASKRLKPTFWESRH-HCKVZZMMSA-N 1 1 380.813 4.177 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)n1 ZINC000054677261 822905073 /nfs/dbraw/zinc/90/50/73/822905073.db2.gz WSWYNLGDSTVDDB-XLIONFOSSA-N 1 1 394.450 4.077 20 0 GIADMO Cc1noc([C@@H]2CCC[N@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)n1 ZINC000054677261 822905077 /nfs/dbraw/zinc/90/50/77/822905077.db2.gz WSWYNLGDSTVDDB-XLIONFOSSA-N 1 1 394.450 4.077 20 0 GIADMO Cc1noc([C@@H]2CCC[N@H+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)n1 ZINC000054677324 822905099 /nfs/dbraw/zinc/90/50/99/822905099.db2.gz VTHNLTAOCJNDNM-MRXNPFEDSA-N 1 1 381.476 4.296 20 0 GIADMO CCc1cc2oc(=O)cc(C[NH+]3CCC(c4nc(C)no4)CC3)c2cc1Cl ZINC000054678650 822905362 /nfs/dbraw/zinc/90/53/62/822905362.db2.gz HHTWIUMRQUCNCA-UHFFFAOYSA-N 1 1 387.867 4.080 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1csc(C2CCCCC2)n1 ZINC000569318034 822906674 /nfs/dbraw/zinc/90/66/74/822906674.db2.gz DTRSUURUZGPQJM-SFHVURJKSA-N 1 1 385.533 4.010 20 0 GIADMO Cc1cccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2)c1 ZINC000457689703 822906840 /nfs/dbraw/zinc/90/68/40/822906840.db2.gz WJUHMUZOUBCMJF-FDDCHVKYSA-N 1 1 391.515 4.271 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000457690800 822907176 /nfs/dbraw/zinc/90/71/76/822907176.db2.gz LZUOVVAWJHQEJA-XFBWCDHKSA-N 1 1 378.385 4.193 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](C)CC(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000457690800 822907181 /nfs/dbraw/zinc/90/71/81/822907181.db2.gz LZUOVVAWJHQEJA-XFBWCDHKSA-N 1 1 378.385 4.193 20 0 GIADMO Cc1nc(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)sc1C ZINC000175217833 822907267 /nfs/dbraw/zinc/90/72/67/822907267.db2.gz XBICZFSWWBBFJK-UHFFFAOYSA-N 1 1 383.521 4.450 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C)c3ccc(C)s3)CC2)cc1 ZINC000054731022 822908323 /nfs/dbraw/zinc/90/83/23/822908323.db2.gz WIVGCFKZQMUCOX-QGZVFWFLSA-N 1 1 387.549 4.044 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1)C[C@@H]1CCCCO1 ZINC000457709720 822909670 /nfs/dbraw/zinc/90/96/70/822909670.db2.gz ODKVRFGPKQSFNJ-UVUJQTEASA-N 1 1 398.547 4.020 20 0 GIADMO Cc1ccc(OCCCC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(Cl)c1 ZINC000569371623 822912385 /nfs/dbraw/zinc/91/23/85/822912385.db2.gz FJBVBLREPHVDKE-KRWDZBQOSA-N 1 1 378.944 4.140 20 0 GIADMO Cc1cc(C)c(NC(=O)C[NH2+]C(C)(C)c2nc3ccccc3n2C)c(Cl)c1 ZINC000186561640 822913585 /nfs/dbraw/zinc/91/35/85/822913585.db2.gz LQFKPVXSIKTMDG-UHFFFAOYSA-N 1 1 384.911 4.307 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000457750144 822914228 /nfs/dbraw/zinc/91/42/28/822914228.db2.gz VJIHOVRJCBYFLU-NQIIRXRSSA-N 1 1 397.567 4.454 20 0 GIADMO Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000186566163 822914328 /nfs/dbraw/zinc/91/43/28/822914328.db2.gz YNHIMQXDHFARSQ-FCHUYYIVSA-N 1 1 395.591 4.251 20 0 GIADMO COc1ccccc1C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CC1 ZINC000054809578 822914962 /nfs/dbraw/zinc/91/49/62/822914962.db2.gz OLEGZFRFJAESOL-UHFFFAOYSA-N 1 1 378.516 4.486 20 0 GIADMO COc1ccccc1C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CC1 ZINC000054809578 822914965 /nfs/dbraw/zinc/91/49/65/822914965.db2.gz OLEGZFRFJAESOL-UHFFFAOYSA-N 1 1 378.516 4.486 20 0 GIADMO Cc1cccc(CS(=O)(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000186581078 822917007 /nfs/dbraw/zinc/91/70/07/822917007.db2.gz YPKMDGMTOSPASN-UHFFFAOYSA-N 1 1 383.517 4.305 20 0 GIADMO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@H](CO)c3ccc(F)cc3)cc2)c1 ZINC000569401844 822917334 /nfs/dbraw/zinc/91/73/34/822917334.db2.gz HYLPDMRRAPAJMQ-JOCHJYFZSA-N 1 1 394.446 4.188 20 0 GIADMO Cc1nc(-c2ccc([C@H](C)NC(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cc2)cs1 ZINC000457772167 822917533 /nfs/dbraw/zinc/91/75/33/822917533.db2.gz JLSCPZCUHFNQTK-KXBFYZLASA-N 1 1 386.565 4.304 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000457785806 822919228 /nfs/dbraw/zinc/91/92/28/822919228.db2.gz LQQCVQFOHBHDLP-DHIUTWEWSA-N 1 1 375.516 4.048 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)s1 ZINC000457791406 822919845 /nfs/dbraw/zinc/91/98/45/822919845.db2.gz BSPDKLDZGOXEOV-XJKSGUPXSA-N 1 1 393.350 4.212 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000186593834 822920172 /nfs/dbraw/zinc/92/01/72/822920172.db2.gz RNHXRWYYKQCJGO-WOJBJXKFSA-N 1 1 399.554 4.081 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000569418811 822920516 /nfs/dbraw/zinc/92/05/16/822920516.db2.gz JLZRJURWCURNMG-QFIPXVFZSA-N 1 1 382.504 4.090 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000175271513 822920892 /nfs/dbraw/zinc/92/08/92/822920892.db2.gz UQDQRTORJIDZMR-YADHBBJMSA-N 1 1 392.543 4.313 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OC(F)F ZINC000175274079 822921739 /nfs/dbraw/zinc/92/17/39/822921739.db2.gz FDQDECVAIJHYCR-SFHVURJKSA-N 1 1 388.458 4.272 20 0 GIADMO CC[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc(Cl)cc1 ZINC000186611329 822923270 /nfs/dbraw/zinc/92/32/70/822923270.db2.gz LKSFSPSYYAKCHI-IFMALSPDSA-N 1 1 384.907 4.039 20 0 GIADMO CC[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc(Cl)cc1 ZINC000186611329 822923277 /nfs/dbraw/zinc/92/32/77/822923277.db2.gz LKSFSPSYYAKCHI-IFMALSPDSA-N 1 1 384.907 4.039 20 0 GIADMO CC(C)c1ccc(NC(=S)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000054943123 822923602 /nfs/dbraw/zinc/92/36/02/822923602.db2.gz QSTKPDJDUVRFDY-UHFFFAOYSA-N 1 1 383.561 4.129 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1sc(=S)[nH]c1C ZINC000175284050 822924156 /nfs/dbraw/zinc/92/41/56/822924156.db2.gz GRWTTXNJQXUXAY-QGZVFWFLSA-N 1 1 389.590 4.027 20 0 GIADMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000186624766 822925523 /nfs/dbraw/zinc/92/55/23/822925523.db2.gz OUDZZELDIDIKFP-NYHFZMIOSA-N 1 1 381.451 4.161 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC000186628270 822925793 /nfs/dbraw/zinc/92/57/93/822925793.db2.gz HNMDQKRSVNXJOJ-WAIKUNEKSA-N 1 1 392.478 4.126 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2c1cccc2C ZINC000175290687 822926117 /nfs/dbraw/zinc/92/61/17/822926117.db2.gz PPLFHXFQAACCJL-NRFANRHFSA-N 1 1 389.543 4.389 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1F ZINC000186631598 822926396 /nfs/dbraw/zinc/92/63/96/822926396.db2.gz VDLDGNBWBUWSCN-IVZQSRNASA-N 1 1 379.435 4.377 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1F ZINC000186631598 822926400 /nfs/dbraw/zinc/92/64/00/822926400.db2.gz VDLDGNBWBUWSCN-IVZQSRNASA-N 1 1 379.435 4.377 20 0 GIADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2c2csc(C)n2)C1 ZINC000186642865 822928331 /nfs/dbraw/zinc/92/83/31/822928331.db2.gz VMVAMUBDOPTYLV-SJLPKXTDSA-N 1 1 378.586 4.199 20 0 GIADMO O=C(NCCC[C@@H]1CCCCO1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000186648506 822929370 /nfs/dbraw/zinc/92/93/70/822929370.db2.gz QEQMYLYZXDBDLH-VJBWXMMDSA-N 1 1 399.579 4.032 20 0 GIADMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000569501240 822930446 /nfs/dbraw/zinc/93/04/46/822930446.db2.gz NCNSRBJFYNZKFE-KSSFIOAISA-N 1 1 399.926 4.234 20 0 GIADMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186674322 822934604 /nfs/dbraw/zinc/93/46/04/822934604.db2.gz NRABNEZIXJFAMK-HNNXBMFYSA-N 1 1 389.952 4.202 20 0 GIADMO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@]4(C3)OCc3ccccc34)nc(N)c2c1C ZINC000186687498 822937315 /nfs/dbraw/zinc/93/73/15/822937315.db2.gz ZTUSCTGHYNPEPT-YEJXKQKISA-N 1 1 380.517 4.083 20 0 GIADMO Cc1sc2nc([C@H](C)[N@H+]3CC[C@]4(C3)OCc3ccccc34)nc(N)c2c1C ZINC000186687498 822937318 /nfs/dbraw/zinc/93/73/18/822937318.db2.gz ZTUSCTGHYNPEPT-YEJXKQKISA-N 1 1 380.517 4.083 20 0 GIADMO CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CCO2 ZINC000186693485 822938893 /nfs/dbraw/zinc/93/88/93/822938893.db2.gz KDCJQGDOFLJAEW-JTSKRJEESA-N 1 1 384.520 4.200 20 0 GIADMO CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000186700390 822940342 /nfs/dbraw/zinc/94/03/42/822940342.db2.gz JYUBONXPOYZIJI-HTAPYJJXSA-N 1 1 384.520 4.200 20 0 GIADMO COc1ccc(C[N@@H+](CCc2ccccn2)CCc2ncc(C)cc2C)cc1 ZINC000569571478 822941370 /nfs/dbraw/zinc/94/13/70/822941370.db2.gz MAILIXUMBXCLEX-UHFFFAOYSA-N 1 1 375.516 4.389 20 0 GIADMO COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)cc1F ZINC000569580956 822941891 /nfs/dbraw/zinc/94/18/91/822941891.db2.gz HJUGSIIMRSAJIL-HNNXBMFYSA-N 1 1 395.434 4.333 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC[N@H+]1C ZINC000175353208 822942731 /nfs/dbraw/zinc/94/27/31/822942731.db2.gz PKEAFLUJHBLHJA-FOIQADDNSA-N 1 1 398.482 4.024 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)C2)C1 ZINC000457952772 822943349 /nfs/dbraw/zinc/94/33/49/822943349.db2.gz QLWLVHZRVWDKFR-QHCPKHFHSA-N 1 1 399.485 4.182 20 0 GIADMO C[C@H]1C[N@H+](C2CCN(Cc3nc(-c4ccccc4Cl)cs3)CC2)CCO1 ZINC000186727483 822945648 /nfs/dbraw/zinc/94/56/48/822945648.db2.gz PDJBJZDMNLSFFF-HNNXBMFYSA-N 1 1 391.968 4.149 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000186753781 822949955 /nfs/dbraw/zinc/94/99/55/822949955.db2.gz ZZDXOXGEJCONPX-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)c(OC)n1 ZINC000569653755 822950771 /nfs/dbraw/zinc/95/07/71/822950771.db2.gz ROXADRQQAJEPSA-NSHDSACASA-N 1 1 375.519 4.443 20 0 GIADMO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1Br ZINC000186761025 822950984 /nfs/dbraw/zinc/95/09/84/822950984.db2.gz UFGUMYIUAJZHKK-AWEZNQCLSA-N 1 1 399.130 4.112 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](c3cccnc3)C2)o1 ZINC000569689596 822955798 /nfs/dbraw/zinc/95/57/98/822955798.db2.gz NSEVRZYQEONJFK-OAHLLOKOSA-N 1 1 384.277 4.489 20 0 GIADMO C[N@H+]1CC[C@H](NCc2csc(COc3ccc(F)cc3)n2)[C@H]1c1ccccc1 ZINC000569699329 822956256 /nfs/dbraw/zinc/95/62/56/822956256.db2.gz CUSYQZCOCZELLN-RBBKRZOGSA-N 1 1 397.519 4.396 20 0 GIADMO CN1CC[C@H]([NH2+]Cc2csc(COc3ccc(F)cc3)n2)[C@H]1c1ccccc1 ZINC000569699329 822956259 /nfs/dbraw/zinc/95/62/59/822956259.db2.gz CUSYQZCOCZELLN-RBBKRZOGSA-N 1 1 397.519 4.396 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]cn2)cc1)C[C@H]1CCCCO1 ZINC000569705986 822957152 /nfs/dbraw/zinc/95/71/52/822957152.db2.gz CMLWLKVWHRJOTG-PGRDOPGGSA-N 1 1 398.551 4.007 20 0 GIADMO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1)C[C@H]1CCCCO1 ZINC000569705986 822957154 /nfs/dbraw/zinc/95/71/54/822957154.db2.gz CMLWLKVWHRJOTG-PGRDOPGGSA-N 1 1 398.551 4.007 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1)C[C@H]1CCCCO1 ZINC000569705986 822957157 /nfs/dbraw/zinc/95/71/57/822957157.db2.gz CMLWLKVWHRJOTG-PGRDOPGGSA-N 1 1 398.551 4.007 20 0 GIADMO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCSC2(CCOCC2)C1)c1ccc2ccccc2c1 ZINC000186801487 822957770 /nfs/dbraw/zinc/95/77/70/822957770.db2.gz FWOOBOILLGZZKJ-QZTJIDSGSA-N 1 1 398.572 4.004 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1)NC(c1ccccc1)c1ccccc1 ZINC000569719385 822958588 /nfs/dbraw/zinc/95/85/88/822958588.db2.gz FGPOGPDEGJGKSH-GOTSBHOMSA-N 1 1 392.543 4.173 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc3ccccc3n2C)C[C@@H](C)O1 ZINC000055417606 822959561 /nfs/dbraw/zinc/95/95/61/822959561.db2.gz CZAIAEZKGUGIAI-IAGOWNOFSA-N 1 1 377.488 4.040 20 0 GIADMO Cc1cnc([C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C2CC2)s1 ZINC000175401314 822959795 /nfs/dbraw/zinc/95/97/95/822959795.db2.gz YITZJOZZOQVSPL-IBGZPJMESA-N 1 1 386.565 4.242 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1Cc2ccc(Cl)cc2C1 ZINC000458116613 822959834 /nfs/dbraw/zinc/95/98/34/822959834.db2.gz XFHKYTDMPBRPOP-HNNXBMFYSA-N 1 1 389.952 4.339 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1Br ZINC000175403549 822960602 /nfs/dbraw/zinc/96/06/02/822960602.db2.gz TWDWGTSJABSGBU-ZAMGYDSWSA-N 1 1 396.350 4.388 20 0 GIADMO Cc1cc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)c2ccccc2n1 ZINC000055426033 822961361 /nfs/dbraw/zinc/96/13/61/822961361.db2.gz JGGOCQITDFHLMV-UHFFFAOYSA-N 1 1 396.494 4.049 20 0 GIADMO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000186823867 822961693 /nfs/dbraw/zinc/96/16/93/822961693.db2.gz CMEJDDAQBCEFCH-YJBOKZPZSA-N 1 1 395.544 4.257 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)c1 ZINC000458139205 822961784 /nfs/dbraw/zinc/96/17/84/822961784.db2.gz KMTMFUZMPWLCAA-HDMKZQKVSA-N 1 1 385.474 4.399 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000569741964 822962204 /nfs/dbraw/zinc/96/22/04/822962204.db2.gz DZVCZGNIQRJRGS-CQSZACIVSA-N 1 1 384.351 4.271 20 0 GIADMO COc1cc(C)c(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1F ZINC000186827505 822962516 /nfs/dbraw/zinc/96/25/16/822962516.db2.gz CIOWLEPDVYMYKP-UHFFFAOYSA-N 1 1 399.510 4.315 20 0 GIADMO c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186827912 822962868 /nfs/dbraw/zinc/96/28/68/822962868.db2.gz SCXNFJNSMVAUNH-UHFFFAOYSA-N 1 1 379.529 4.099 20 0 GIADMO c1ccc(-c2nc3ccccn3c2C[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186827912 822962870 /nfs/dbraw/zinc/96/28/70/822962870.db2.gz SCXNFJNSMVAUNH-UHFFFAOYSA-N 1 1 379.529 4.099 20 0 GIADMO CCCOc1ccc(OCC[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000175423989 822965374 /nfs/dbraw/zinc/96/53/74/822965374.db2.gz ZBWNOHKHDSFDNI-QUGAMOGWSA-N 1 1 375.534 4.285 20 0 GIADMO O=C(NC1CCC(C(F)F)CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000458180936 822965875 /nfs/dbraw/zinc/96/58/75/822965875.db2.gz NRYMZAQCTBGASP-ARWYELJZSA-N 1 1 379.495 4.433 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)cc1 ZINC000055458932 822965910 /nfs/dbraw/zinc/96/59/10/822965910.db2.gz CMVVHQFSKGZYAW-XLIONFOSSA-N 1 1 385.552 4.037 20 0 GIADMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000175436207 822968583 /nfs/dbraw/zinc/96/85/83/822968583.db2.gz QPKWLFXFIQWHEX-IAGOWNOFSA-N 1 1 398.532 4.091 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000175436203 822968627 /nfs/dbraw/zinc/96/86/27/822968627.db2.gz MLNLZYGSDBUQEJ-KGLIPLIRSA-N 1 1 379.957 4.051 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2ccc3ccccc3c2)CC1 ZINC000569792224 822969977 /nfs/dbraw/zinc/96/99/77/822969977.db2.gz QTSPCUIWMZCBNV-UHFFFAOYSA-N 1 1 375.472 4.296 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)c2[nH]ccc2-c2c(Cl)cccc2Cl)C1 ZINC000458222221 822970658 /nfs/dbraw/zinc/97/06/58/822970658.db2.gz QFKHWYSZCOAMFV-ZDUSSCGKSA-N 1 1 380.319 4.450 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)nc1Cl ZINC000175457718 822973882 /nfs/dbraw/zinc/97/38/82/822973882.db2.gz SPSBMEVSVPYPAA-MRXNPFEDSA-N 1 1 392.330 4.373 20 0 GIADMO C[C@H](OC[C@@H](O)C[NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1 ZINC000569837715 822974589 /nfs/dbraw/zinc/97/45/89/822974589.db2.gz UPMIBUSXBJYLOA-GWCFXTLKSA-N 1 1 394.846 4.044 20 0 GIADMO CC[NH+](CC)[C@H](c1nc(CCc2ccc3c(c2)CCO3)no1)c1ccccc1 ZINC000569854814 822976407 /nfs/dbraw/zinc/97/64/07/822976407.db2.gz RCSNOWIMCUODFQ-QFIPXVFZSA-N 1 1 377.488 4.221 20 0 GIADMO Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000569857922 822976891 /nfs/dbraw/zinc/97/68/91/822976891.db2.gz LKBNSMFIQVUSRH-FDDCHVKYSA-N 1 1 393.531 4.109 20 0 GIADMO COCCSc1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569863317 822977775 /nfs/dbraw/zinc/97/77/75/822977775.db2.gz GDWNCJHSPABGCU-WIYYLYMNSA-N 1 1 398.572 4.124 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)[nH+]c1 ZINC000175476417 822978191 /nfs/dbraw/zinc/97/81/91/822978191.db2.gz VFEQPNFSERQBLK-UHFFFAOYSA-N 1 1 398.482 4.251 20 0 GIADMO CN1C(=O)CCc2cc(C[N@@H+](C)CCCc3cc(-c4ccccc4)n[nH]3)ccc21 ZINC000186910462 822978639 /nfs/dbraw/zinc/97/86/39/822978639.db2.gz GZQMGMYZEGUWNZ-UHFFFAOYSA-N 1 1 388.515 4.050 20 0 GIADMO COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)[nH]2)c1 ZINC000458287937 822978604 /nfs/dbraw/zinc/97/86/04/822978604.db2.gz PKELXIBRCVHJEF-UHFFFAOYSA-N 1 1 378.476 4.016 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(F)cc2N2CCOCC2)cc1 ZINC000458326845 822983481 /nfs/dbraw/zinc/98/34/81/822983481.db2.gz VTCIFOJWVLCKRM-UHFFFAOYSA-N 1 1 399.510 4.147 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000186940019 822983677 /nfs/dbraw/zinc/98/36/77/822983677.db2.gz FDCXORBZVJUAST-UHFFFAOYSA-N 1 1 399.560 4.048 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)N(C3CC3)C3CCCC3)CC2)cs1 ZINC000175498359 822983894 /nfs/dbraw/zinc/98/38/94/822983894.db2.gz DVUYTFXKDPPZDJ-UHFFFAOYSA-N 1 1 390.597 4.034 20 0 GIADMO CC[C@@H](C)[C@@H](C)N(C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000175501321 822984772 /nfs/dbraw/zinc/98/47/72/822984772.db2.gz OXDJHNAYUWAPJD-NVXWUHKLSA-N 1 1 390.572 4.112 20 0 GIADMO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000569973209 822991859 /nfs/dbraw/zinc/99/18/59/822991859.db2.gz AERQWQMOVCCUHA-IBGZPJMESA-N 1 1 387.462 4.049 20 0 GIADMO O=C(c1cc(Cl)c[nH]1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533722 822992552 /nfs/dbraw/zinc/99/25/52/822992552.db2.gz DCFBKVUFALDHAM-HNNXBMFYSA-N 1 1 399.844 4.195 20 0 GIADMO O=C(c1cccs1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534409 822992602 /nfs/dbraw/zinc/99/26/02/822992602.db2.gz UUMDMWUFHFGNKK-INIZCTEOSA-N 1 1 382.451 4.275 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1ncc(Br)cc1F ZINC000186987249 822992786 /nfs/dbraw/zinc/99/27/86/822992786.db2.gz LMOIYHVRYZOKPP-CYBMUJFWSA-N 1 1 389.272 4.079 20 0 GIADMO O=C(/C=C/c1ccco1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175535141 822992814 /nfs/dbraw/zinc/99/28/14/822992814.db2.gz XTDDZJGWSAZOFY-GFOMBABLSA-N 1 1 392.421 4.206 20 0 GIADMO Cc1cccnc1[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000175542435 822993859 /nfs/dbraw/zinc/99/38/59/822993859.db2.gz LQLXTDVPRQUSIX-CEMLEFRQSA-N 1 1 394.563 4.439 20 0 GIADMO Cc1nnc(C[NH2+][C@@H](C)c2sc(-c3ccccc3Br)nc2C)[nH]1 ZINC000569996953 822994678 /nfs/dbraw/zinc/99/46/78/822994678.db2.gz PVQQDVYQTMKBFJ-VIFPVBQESA-N 1 1 392.326 4.158 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NCc2csc(-c3ccccc3F)n2)[C@H](C)C1 ZINC000187010952 822997248 /nfs/dbraw/zinc/99/72/48/822997248.db2.gz ZMQIPQAOCNPAAY-OXQOHEQNSA-N 1 1 391.556 4.176 20 0 GIADMO Cc1cc(=O)[nH]c2cc(C(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)ccc12 ZINC000570075632 823003839 /nfs/dbraw/zinc/00/38/39/823003839.db2.gz IAPBNHIEWYALTJ-IBGZPJMESA-N 1 1 381.520 4.023 20 0 GIADMO Cn1c2ccc(C[N@@H+](CCc3ccccc3)Cc3ccncc3)cc2sc1=O ZINC000570084766 823004470 /nfs/dbraw/zinc/00/44/70/823004470.db2.gz NABACJBVYQLJBH-UHFFFAOYSA-N 1 1 389.524 4.240 20 0 GIADMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1nc(-c3ccccc3Cl)cs1)CC2 ZINC000187076036 823007219 /nfs/dbraw/zinc/00/72/19/823007219.db2.gz PGGHTYXRKCGQBX-ROUUACIJSA-N 1 1 392.952 4.215 20 0 GIADMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000570130564 823008614 /nfs/dbraw/zinc/00/86/14/823008614.db2.gz SESAQGOBKZMCET-UTKZUKDTSA-N 1 1 391.515 4.027 20 0 GIADMO C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175633759 823010216 /nfs/dbraw/zinc/01/02/16/823010216.db2.gz GEIQJSFKUNAWKR-LQWHRVPQSA-N 1 1 381.520 4.148 20 0 GIADMO COc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000175634779 823010332 /nfs/dbraw/zinc/01/03/32/823010332.db2.gz ZCMNAZOGCWAROO-XQBPLPMBSA-N 1 1 395.547 4.451 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000187099720 823010446 /nfs/dbraw/zinc/01/04/46/823010446.db2.gz JCIGKRWXMWKSNS-UHFFFAOYSA-N 1 1 394.471 4.073 20 0 GIADMO O=C(Nc1ccc(F)cc1)c1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000570153480 823010901 /nfs/dbraw/zinc/01/09/01/823010901.db2.gz HOJPKWJSFKPVJD-FDFHNCONSA-N 1 1 381.495 4.088 20 0 GIADMO Cc1cnc(C(C)(C)NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000175646506 823012387 /nfs/dbraw/zinc/01/23/87/823012387.db2.gz LUYWSOUVAGVCRA-CRAIPNDOSA-N 1 1 386.565 4.039 20 0 GIADMO Cc1csc(C(C)(C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000175648007 823012719 /nfs/dbraw/zinc/01/27/19/823012719.db2.gz JKHPVIKOSAPYOC-AEFFLSMTSA-N 1 1 386.565 4.039 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccc2c(c1)CCC(=O)N2C ZINC000187125718 823014489 /nfs/dbraw/zinc/01/44/89/823014489.db2.gz NGINAWIRUCBPCC-LJQANCHMSA-N 1 1 391.559 4.260 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc2c(c1)CCC(=O)N2C ZINC000187125718 823014492 /nfs/dbraw/zinc/01/44/92/823014492.db2.gz NGINAWIRUCBPCC-LJQANCHMSA-N 1 1 391.559 4.260 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000570204506 823015023 /nfs/dbraw/zinc/01/50/23/823015023.db2.gz GXUSBNXRSLEVDP-LPHOPBHVSA-N 1 1 383.923 4.112 20 0 GIADMO Cc1cc([C@H]([NH2+]C[C@H](C)N2CCN(C)CC2)c2cccc(Cl)c2)c(C)s1 ZINC000570205591 823015227 /nfs/dbraw/zinc/01/52/27/823015227.db2.gz JYXHXOIOMJMAQQ-YCRPNKLZSA-N 1 1 392.012 4.333 20 0 GIADMO CN1CCCc2cc(NC(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000175674160 823017636 /nfs/dbraw/zinc/01/76/36/823017636.db2.gz GHUAOXNWOUCQKH-UTKZUKDTSA-N 1 1 398.576 4.335 20 0 GIADMO COc1ccc(C[N@H+](C)Cc2ccc(OCc3ccccc3F)nc2)cc1O ZINC000187148985 823017684 /nfs/dbraw/zinc/01/76/84/823017684.db2.gz CMYHDVHYUCDJFN-UHFFFAOYSA-N 1 1 382.435 4.146 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2ccc(OCc3ccccc3F)nc2)cc1O ZINC000187148985 823017687 /nfs/dbraw/zinc/01/76/87/823017687.db2.gz CMYHDVHYUCDJFN-UHFFFAOYSA-N 1 1 382.435 4.146 20 0 GIADMO C[C@@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC2(CCOCC2)O1 ZINC000570244299 823018434 /nfs/dbraw/zinc/01/84/34/823018434.db2.gz XESBFDXIVLBUOK-LJQANCHMSA-N 1 1 383.488 4.128 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187156958 823018670 /nfs/dbraw/zinc/01/86/70/823018670.db2.gz KEDMJPKJHYJBDA-FQEVSTJZSA-N 1 1 397.563 4.275 20 0 GIADMO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccccc1 ZINC000570247565 823018839 /nfs/dbraw/zinc/01/88/39/823018839.db2.gz HASNOGAIIXWLQZ-QGZVFWFLSA-N 1 1 377.282 4.017 20 0 GIADMO C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000570248059 823019025 /nfs/dbraw/zinc/01/90/25/823019025.db2.gz IMLMSJFJOZZRGB-WBVHZDCISA-N 1 1 393.886 4.030 20 0 GIADMO C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000570248059 823019028 /nfs/dbraw/zinc/01/90/28/823019028.db2.gz IMLMSJFJOZZRGB-WBVHZDCISA-N 1 1 393.886 4.030 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccco1 ZINC000187178334 823021315 /nfs/dbraw/zinc/02/13/15/823021315.db2.gz CUUOZFSLAQSBAJ-INIZCTEOSA-N 1 1 380.410 4.040 20 0 GIADMO FC(F)Oc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)nc1 ZINC000570271523 823021409 /nfs/dbraw/zinc/02/14/09/823021409.db2.gz SVHUJEITFUTWTI-OAHLLOKOSA-N 1 1 386.402 4.113 20 0 GIADMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1Cl ZINC000570273438 823021757 /nfs/dbraw/zinc/02/17/57/823021757.db2.gz WPNQSVPKUQGFBD-GDBMZVCRSA-N 1 1 392.330 4.478 20 0 GIADMO CSc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1 ZINC000187181886 823021811 /nfs/dbraw/zinc/02/18/11/823021811.db2.gz KWIVTPVUCGGSSP-OAHLLOKOSA-N 1 1 397.544 4.346 20 0 GIADMO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000175704359 823024090 /nfs/dbraw/zinc/02/40/90/823024090.db2.gz NLUTWBZOLNEFFN-ACJLOTCBSA-N 1 1 378.394 4.256 20 0 GIADMO Brc1ccc2[nH]c(-c3noc(Cn4c[nH+]c5c4CCCC5)n3)cc2c1 ZINC000570309566 823024339 /nfs/dbraw/zinc/02/43/39/823024339.db2.gz HHOQSDQEQNTLIZ-UHFFFAOYSA-N 1 1 398.264 4.104 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)n1 ZINC000175740650 823030112 /nfs/dbraw/zinc/03/01/12/823030112.db2.gz AHWBRDNFLHLVJG-FQEVSTJZSA-N 1 1 377.488 4.008 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)n1 ZINC000175740650 823030114 /nfs/dbraw/zinc/03/01/14/823030114.db2.gz AHWBRDNFLHLVJG-FQEVSTJZSA-N 1 1 377.488 4.008 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000570377181 823031244 /nfs/dbraw/zinc/03/12/44/823031244.db2.gz QFAVBQGAKJDWFS-UHFFFAOYSA-N 1 1 385.537 4.468 20 0 GIADMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc(N2CCCc3ccccc32)cc1 ZINC000570384355 823031934 /nfs/dbraw/zinc/03/19/34/823031934.db2.gz AFXQUYODKXCARD-UHFFFAOYSA-N 1 1 386.499 4.234 20 0 GIADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000458374487 823033825 /nfs/dbraw/zinc/03/38/25/823033825.db2.gz JMNVGXFXUPUKGP-ICSRJNTNSA-N 1 1 397.567 4.041 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000187270301 823034232 /nfs/dbraw/zinc/03/42/32/823034232.db2.gz BLEDQEKMXYDOLA-GOSISDBHSA-N 1 1 378.875 4.090 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000187270301 823034236 /nfs/dbraw/zinc/03/42/36/823034236.db2.gz BLEDQEKMXYDOLA-GOSISDBHSA-N 1 1 378.875 4.090 20 0 GIADMO CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000570423485 823036091 /nfs/dbraw/zinc/03/60/91/823036091.db2.gz DUUXSCKEYGFCPZ-UHFFFAOYSA-N 1 1 389.503 4.013 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N(C)[C@H]3CCC[C@@H]3c3ccccc3)CC2)[nH+]c1 ZINC000458416101 823038088 /nfs/dbraw/zinc/03/80/88/823038088.db2.gz FAMJIBWKAUPDBN-YADHBBJMSA-N 1 1 392.547 4.337 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCc3ccc(F)c(F)c32)[C@@H]1c1cccs1 ZINC000458417126 823038286 /nfs/dbraw/zinc/03/82/86/823038286.db2.gz FMSMVSRNIOEPED-RDTXWAMCSA-N 1 1 391.487 4.182 20 0 GIADMO COc1ccccc1-c1ccc([C@@H](C)NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000458420702 823038433 /nfs/dbraw/zinc/03/84/33/823038433.db2.gz ATUOOZSGWBHWGS-RTBURBONSA-N 1 1 395.547 4.454 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC2CCC(C(F)F)CC2)[C@H]1c1cccs1 ZINC000458442168 823040768 /nfs/dbraw/zinc/04/07/68/823040768.db2.gz WAVSYKKLZBKYBB-BJDYSFLHSA-N 1 1 385.524 4.254 20 0 GIADMO CC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000570470399 823042285 /nfs/dbraw/zinc/04/22/85/823042285.db2.gz HYRDYNJUXKRNHP-HNAYVOBHSA-N 1 1 386.458 4.127 20 0 GIADMO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000570470399 823042291 /nfs/dbraw/zinc/04/22/91/823042291.db2.gz HYRDYNJUXKRNHP-HNAYVOBHSA-N 1 1 386.458 4.127 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)sc2C1 ZINC000187315680 823042319 /nfs/dbraw/zinc/04/23/19/823042319.db2.gz GVZJBPKDSKJISQ-UHFFFAOYSA-N 1 1 395.450 4.210 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)sc2C1 ZINC000187315680 823042324 /nfs/dbraw/zinc/04/23/24/823042324.db2.gz GVZJBPKDSKJISQ-UHFFFAOYSA-N 1 1 395.450 4.210 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C ZINC000570481577 823044044 /nfs/dbraw/zinc/04/40/44/823044044.db2.gz OIXWFKWBPMFFOX-HNNXBMFYSA-N 1 1 385.512 4.164 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)COc2ccccc2-c2ccccc2)C1 ZINC000060566942 823543249 /nfs/dbraw/zinc/54/32/49/823543249.db2.gz LJKJQKJSCKMJGZ-HXUWFJFHSA-N 1 1 380.532 4.361 20 0 GIADMO CC(C)c1ccc(C[C@@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000460924069 823543369 /nfs/dbraw/zinc/54/33/69/823543369.db2.gz FPCFBNVGEJKCDR-ZSJMHYJMSA-N 1 1 383.580 4.399 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc3ncccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123835474 823544251 /nfs/dbraw/zinc/54/42/51/823544251.db2.gz JIHKFQOHLQQCKM-BTYIYWSLSA-N 1 1 397.881 4.450 20 0 GIADMO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000190165661 823545271 /nfs/dbraw/zinc/54/52/71/823545271.db2.gz USKJICQBJRIOJO-MRXNPFEDSA-N 1 1 393.597 4.195 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000060590741 823545733 /nfs/dbraw/zinc/54/57/33/823545733.db2.gz PPJOZLBLEGAMKI-GASCZTMLSA-N 1 1 375.538 4.199 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)C2(c3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123858822 823546762 /nfs/dbraw/zinc/54/67/62/823546762.db2.gz DMOGIAIQEFYGQZ-UZLBHIALSA-N 1 1 386.898 4.320 20 0 GIADMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2Sc2ccccc2)CC[N@H+]1C ZINC000123866487 823547461 /nfs/dbraw/zinc/54/74/61/823547461.db2.gz AQURTBCAWUNAHE-QZTJIDSGSA-N 1 1 383.561 4.191 20 0 GIADMO Cc1ccc(CC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000123906269 823550712 /nfs/dbraw/zinc/55/07/12/823550712.db2.gz AFLIOWYBXOSJHN-IFXJQAMLSA-N 1 1 380.916 4.201 20 0 GIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(F)cc2)c1 ZINC000060713267 823553730 /nfs/dbraw/zinc/55/37/30/823553730.db2.gz ZGQODVOOAHPBDC-AWEZNQCLSA-N 1 1 387.430 4.030 20 0 GIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(F)cc2)c1 ZINC000060713267 823553731 /nfs/dbraw/zinc/55/37/31/823553731.db2.gz ZGQODVOOAHPBDC-AWEZNQCLSA-N 1 1 387.430 4.030 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@]2(C)OCCc3sccc32)cc1 ZINC000460974342 823553884 /nfs/dbraw/zinc/55/38/84/823553884.db2.gz TZHIYNCCKBGSKM-JOCHJYFZSA-N 1 1 386.561 4.198 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2ccccc2)c1 ZINC000123949802 823554341 /nfs/dbraw/zinc/55/43/41/823554341.db2.gz DUAQVDHWSJGLKD-IBGZPJMESA-N 1 1 395.547 4.060 20 0 GIADMO CCCc1ncc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)s1 ZINC000460990447 823556452 /nfs/dbraw/zinc/55/64/52/823556452.db2.gz ZGRBLMQHYJMZRY-QGZVFWFLSA-N 1 1 387.549 4.061 20 0 GIADMO CN1CC[NH+](Cc2cccc(NCc3ccc(CSC(F)F)o3)c2)CC1 ZINC000123973310 823557056 /nfs/dbraw/zinc/55/70/56/823557056.db2.gz VFCLAHAELDYRLP-UHFFFAOYSA-N 1 1 381.492 4.095 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190270526 823558117 /nfs/dbraw/zinc/55/81/17/823558117.db2.gz JUSZMSXXSSEXIW-OALUTQOASA-N 1 1 379.566 4.350 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000411224302 823558513 /nfs/dbraw/zinc/55/85/13/823558513.db2.gz KYLCONZBDRATET-RISCZKNCSA-N 1 1 397.466 4.223 20 0 GIADMO CCc1ccc([C@@H](CNCc2cccc(OC)c2OC(F)F)[NH+](C)C)cc1 ZINC000060831889 823561014 /nfs/dbraw/zinc/56/10/14/823561014.db2.gz DNZSJPIZUOTAQP-GOSISDBHSA-N 1 1 378.463 4.252 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@](C)(O)CCC(C)C)cs1)c1ccc(C)cc1 ZINC000124035420 823561727 /nfs/dbraw/zinc/56/17/27/823561727.db2.gz RECLAJAVUKIYFZ-OAQYLSRUSA-N 1 1 389.565 4.413 20 0 GIADMO COc1cc(C[NH2+]Cc2cccc(C)c2Br)cc(OC)c1OC ZINC000190319328 823562438 /nfs/dbraw/zinc/56/24/38/823562438.db2.gz MAEGYUBKZRTAMY-UHFFFAOYSA-N 1 1 380.282 4.073 20 0 GIADMO Fc1ccc(-n2ccc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)n2)c(F)c1 ZINC000190327539 823563302 /nfs/dbraw/zinc/56/33/02/823563302.db2.gz GJIUVZGLUREVQJ-JOCHJYFZSA-N 1 1 397.425 4.163 20 0 GIADMO CCCN(C(=O)[C@H](C)c1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000461038932 823563395 /nfs/dbraw/zinc/56/33/95/823563395.db2.gz SWRRNEDMEPRWIP-QGZVFWFLSA-N 1 1 398.526 4.244 20 0 GIADMO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(C)noc1C ZINC000124058027 823563877 /nfs/dbraw/zinc/56/38/77/823563877.db2.gz YDIFJUHRLLIULJ-VTHDOGFWSA-N 1 1 396.535 4.237 20 0 GIADMO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124057803 823563948 /nfs/dbraw/zinc/56/39/48/823563948.db2.gz UAUPFAOYDHGZNX-PXAZEXFGSA-N 1 1 395.471 4.321 20 0 GIADMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000060890065 823564925 /nfs/dbraw/zinc/56/49/25/823564925.db2.gz NTJXJLNXYJSXIL-WMZOPIPTSA-N 1 1 383.492 4.451 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@H]1CC1CCCCC1)[nH]c2=O ZINC000060892993 823565123 /nfs/dbraw/zinc/56/51/23/823565123.db2.gz HZEXPAVPFHIBNC-KRWDZBQOSA-N 1 1 383.492 4.057 20 0 GIADMO O=C(CC[NH2+][C@@H](c1nccs1)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000411349821 823565817 /nfs/dbraw/zinc/56/58/17/823565817.db2.gz DTSIGPBKRNFHRM-IFMALSPDSA-N 1 1 391.540 4.406 20 0 GIADMO CC(=O)N1CC[N@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)[C@H](C)C1 ZINC000411350054 823565878 /nfs/dbraw/zinc/56/58/78/823565878.db2.gz RHOGAWQECHJPDY-GFCCVEGCSA-N 1 1 397.466 4.190 20 0 GIADMO CC(=O)N1CC[N@@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)[C@H](C)C1 ZINC000411350054 823565881 /nfs/dbraw/zinc/56/58/81/823565881.db2.gz RHOGAWQECHJPDY-GFCCVEGCSA-N 1 1 397.466 4.190 20 0 GIADMO Cc1nc(C[N@H+](C)CC(C)(C)CN2CCOCC2)oc1-c1ccc(Cl)cc1 ZINC000124083528 823566174 /nfs/dbraw/zinc/56/61/74/823566174.db2.gz QQIBQJNDZWTBIS-UHFFFAOYSA-N 1 1 391.943 4.094 20 0 GIADMO Cc1nc(CN(C)CC(C)(C)C[NH+]2CCOCC2)oc1-c1ccc(Cl)cc1 ZINC000124083528 823566180 /nfs/dbraw/zinc/56/61/80/823566180.db2.gz QQIBQJNDZWTBIS-UHFFFAOYSA-N 1 1 391.943 4.094 20 0 GIADMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000411368470 823566887 /nfs/dbraw/zinc/56/68/87/823566887.db2.gz JJASDVYLMVWAJS-CYBMUJFWSA-N 1 1 377.282 4.176 20 0 GIADMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2nc(-c3ccncc3)n(C)c2=S)c1 ZINC000124097044 823567349 /nfs/dbraw/zinc/56/73/49/823567349.db2.gz SHOADOWTMSILLQ-LJQANCHMSA-N 1 1 379.533 4.425 20 0 GIADMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2nc(-c3ccncc3)n(C)c2=S)c1 ZINC000124097044 823567352 /nfs/dbraw/zinc/56/73/52/823567352.db2.gz SHOADOWTMSILLQ-LJQANCHMSA-N 1 1 379.533 4.425 20 0 GIADMO CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1cccc(F)c1 ZINC000060942879 823568216 /nfs/dbraw/zinc/56/82/16/823568216.db2.gz SYXAXUOTYFJPHC-UHFFFAOYSA-N 1 1 393.300 4.069 20 0 GIADMO CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1cccc(F)c1 ZINC000060942879 823568212 /nfs/dbraw/zinc/56/82/12/823568212.db2.gz SYXAXUOTYFJPHC-UHFFFAOYSA-N 1 1 393.300 4.069 20 0 GIADMO CC[C@@](C)([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nccs1 ZINC000411390880 823569081 /nfs/dbraw/zinc/56/90/81/823569081.db2.gz OVRGZYAJTFNECN-OAQYLSRUSA-N 1 1 383.517 4.180 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(Br)cn4)C3)nc2c1 ZINC000411410445 823571182 /nfs/dbraw/zinc/57/11/82/823571182.db2.gz DHKLUJJMEMLASI-AWEZNQCLSA-N 1 1 385.309 4.408 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(Br)cn4)C3)nc2c1 ZINC000411410445 823571184 /nfs/dbraw/zinc/57/11/84/823571184.db2.gz DHKLUJJMEMLASI-AWEZNQCLSA-N 1 1 385.309 4.408 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(Br)cn4)C3)[nH]c2c1 ZINC000411410445 823571186 /nfs/dbraw/zinc/57/11/86/823571186.db2.gz DHKLUJJMEMLASI-AWEZNQCLSA-N 1 1 385.309 4.408 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(Br)cn4)C3)[nH]c2c1 ZINC000411410445 823571190 /nfs/dbraw/zinc/57/11/90/823571190.db2.gz DHKLUJJMEMLASI-AWEZNQCLSA-N 1 1 385.309 4.408 20 0 GIADMO CC(C)[N@@H+](CCC(=O)Nc1cccc(Br)c1)Cc1cccnc1 ZINC000411411383 823571308 /nfs/dbraw/zinc/57/13/08/823571308.db2.gz UZYRFBIEAONYLZ-UHFFFAOYSA-N 1 1 376.298 4.083 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)CCc1ccccn1 ZINC000411414128 823571515 /nfs/dbraw/zinc/57/15/15/823571515.db2.gz HOKBPVCNTFHGNV-UHFFFAOYSA-N 1 1 389.499 4.164 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000411423115 823572582 /nfs/dbraw/zinc/57/25/82/823572582.db2.gz JMGXLVTUIOTYKQ-KRWDZBQOSA-N 1 1 394.288 4.395 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000411428785 823573167 /nfs/dbraw/zinc/57/31/67/823573167.db2.gz PHXJLGGTDIZPFZ-KRWDZBQOSA-N 1 1 376.298 4.256 20 0 GIADMO O[C@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CCc4c3cccc4Br)c2)C1 ZINC000461085521 823573497 /nfs/dbraw/zinc/57/34/97/823573497.db2.gz KCDMKMRFJZNGLQ-OXJNMPFZSA-N 1 1 387.321 4.115 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H]1c1ncc[nH]1)Nc1ccccc1Oc1ccccc1 ZINC000411434142 823573760 /nfs/dbraw/zinc/57/37/60/823573760.db2.gz VPXLKOKYVBYVGG-IBGZPJMESA-N 1 1 376.460 4.368 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1ncc[nH]1)Nc1ccccc1Oc1ccccc1 ZINC000411434142 823573761 /nfs/dbraw/zinc/57/37/61/823573761.db2.gz VPXLKOKYVBYVGG-IBGZPJMESA-N 1 1 376.460 4.368 20 0 GIADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000411434736 823573782 /nfs/dbraw/zinc/57/37/82/823573782.db2.gz ZHJUIXRBNDQOBT-QFIPXVFZSA-N 1 1 377.488 4.287 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000411434736 823573783 /nfs/dbraw/zinc/57/37/83/823573783.db2.gz ZHJUIXRBNDQOBT-QFIPXVFZSA-N 1 1 377.488 4.287 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000124170482 823574352 /nfs/dbraw/zinc/57/43/52/823574352.db2.gz NIWIPGWIDTUTAR-OAHLLOKOSA-N 1 1 392.330 4.170 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)c1C ZINC000411442927 823574565 /nfs/dbraw/zinc/57/45/65/823574565.db2.gz HUDOUQNENJUCHT-YPMHNXCESA-N 1 1 378.419 4.358 20 0 GIADMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1OC ZINC000124175417 823574695 /nfs/dbraw/zinc/57/46/95/823574695.db2.gz CROSBSHCNURSHP-LJQANCHMSA-N 1 1 398.551 4.182 20 0 GIADMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1OC ZINC000124175148 823574727 /nfs/dbraw/zinc/57/47/27/823574727.db2.gz CROSBSHCNURSHP-IBGZPJMESA-N 1 1 398.551 4.182 20 0 GIADMO Cc1ncsc1CCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000411444427 823574747 /nfs/dbraw/zinc/57/47/47/823574747.db2.gz ZZVJQDIDMRGVLS-CALCHBBNSA-N 1 1 385.577 4.178 20 0 GIADMO O=C1CCCN1C[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000411444635 823574756 /nfs/dbraw/zinc/57/47/56/823574756.db2.gz KYBBFDSMIVIJCR-DEOSSOPVSA-N 1 1 391.559 4.126 20 0 GIADMO O=C(CC1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1)N1CCCC1 ZINC000061050376 823575560 /nfs/dbraw/zinc/57/55/60/823575560.db2.gz QAPVPPVAIGBFQA-UHFFFAOYSA-N 1 1 387.524 4.174 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1C ZINC000411449376 823575687 /nfs/dbraw/zinc/57/56/87/823575687.db2.gz SBNPPQDMGUFDPU-DGCLKSJQSA-N 1 1 378.419 4.358 20 0 GIADMO CCC(CC)[C@H]([NH2+]Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)c1ccccc1 ZINC000411456240 823576838 /nfs/dbraw/zinc/57/68/38/823576838.db2.gz UWXJXBMMLJHHTL-NRFANRHFSA-N 1 1 393.487 4.389 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](CC(C)C)c1ccccc1C)[nH]c2=O ZINC000411458492 823576998 /nfs/dbraw/zinc/57/69/98/823576998.db2.gz JCGPFHNFTTYLEM-IBGZPJMESA-N 1 1 393.487 4.307 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1Cc2ccccc21 ZINC000461101465 823577527 /nfs/dbraw/zinc/57/75/27/823577527.db2.gz MEQHNERQZIAXOM-SFHVURJKSA-N 1 1 389.326 4.414 20 0 GIADMO CCC(CC)c1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)on1 ZINC000461120677 823581266 /nfs/dbraw/zinc/58/12/66/823581266.db2.gz CDNFFHNVEQONOF-SFHVURJKSA-N 1 1 387.499 4.246 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000411498749 823581747 /nfs/dbraw/zinc/58/17/47/823581747.db2.gz BQLJNEFUQNSHGR-IMJJTQAJSA-N 1 1 382.451 4.340 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190517314 823583025 /nfs/dbraw/zinc/58/30/25/823583025.db2.gz YNYKLHKCJHKYNX-MRXNPFEDSA-N 1 1 399.510 4.216 20 0 GIADMO COc1cccc2c(N3CCC(NC(=O)c4cc(C)oc4C)CC3)cc(C)[nH+]c12 ZINC000124301841 823585482 /nfs/dbraw/zinc/58/54/82/823585482.db2.gz JWLXURIDKOXBET-UHFFFAOYSA-N 1 1 393.487 4.160 20 0 GIADMO Cc1cccc(OCCCC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000061285441 823589403 /nfs/dbraw/zinc/58/94/03/823589403.db2.gz SMQZOHCVSIKRGE-UHFFFAOYSA-N 1 1 384.545 4.342 20 0 GIADMO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1C ZINC000190607965 823591005 /nfs/dbraw/zinc/59/10/05/823591005.db2.gz FTOLWYHCNRJGMX-QGZVFWFLSA-N 1 1 393.531 4.258 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CC(C)(C)Oc3ccccc32)cc1F ZINC000411622542 823591819 /nfs/dbraw/zinc/59/18/19/823591819.db2.gz RNJHAKOMGOQVRO-SFHVURJKSA-N 1 1 393.462 4.281 20 0 GIADMO COCC[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCC[C@H]1C ZINC000411625278 823592139 /nfs/dbraw/zinc/59/21/39/823592139.db2.gz LCXCYKMKSXXJOV-UKRRQHHQSA-N 1 1 387.505 4.294 20 0 GIADMO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1cn2c(n1)CCCC2 ZINC000411636638 823592893 /nfs/dbraw/zinc/59/28/93/823592893.db2.gz PNIFQABEPCLOIH-UHFFFAOYSA-N 1 1 388.515 4.347 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1cn2c(n1)CCCC2 ZINC000411636638 823592898 /nfs/dbraw/zinc/59/28/98/823592898.db2.gz PNIFQABEPCLOIH-UHFFFAOYSA-N 1 1 388.515 4.347 20 0 GIADMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000411639409 823593067 /nfs/dbraw/zinc/59/30/67/823593067.db2.gz FITYGBUGNVDBNG-GDBMZVCRSA-N 1 1 383.517 4.047 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cc(Br)c(OC)s1 ZINC000461184375 823594923 /nfs/dbraw/zinc/59/49/23/823594923.db2.gz AFPVOWYCFXJDNB-UHFFFAOYSA-N 1 1 385.327 4.495 20 0 GIADMO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000124408592 823594274 /nfs/dbraw/zinc/59/42/74/823594274.db2.gz CHSXGKAPAWCWSR-QGZVFWFLSA-N 1 1 391.519 4.122 20 0 GIADMO C[C@H](CO)[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)CC1CCC1 ZINC000411661734 823595518 /nfs/dbraw/zinc/59/55/18/823595518.db2.gz DVSLMHCDHBBJNR-CQSZACIVSA-N 1 1 383.517 4.047 20 0 GIADMO COC(=O)c1cc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000061422813 823596346 /nfs/dbraw/zinc/59/63/46/823596346.db2.gz LBMVGGAOECMENQ-GASCZTMLSA-N 1 1 395.931 4.006 20 0 GIADMO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000411683623 823596893 /nfs/dbraw/zinc/59/68/93/823596893.db2.gz HKRKUAKZETYMSN-SNVBAGLBSA-N 1 1 391.846 4.172 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000061441508 823597918 /nfs/dbraw/zinc/59/79/18/823597918.db2.gz AVRPLQIUAIFUEU-LJQANCHMSA-N 1 1 394.563 4.126 20 0 GIADMO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1noc(-c2ccccc2)n1 ZINC000124473775 823599784 /nfs/dbraw/zinc/59/97/84/823599784.db2.gz YAJPYNSHTWRLOH-POFQCLBPSA-N 1 1 388.471 4.220 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CCOc3c(F)cccc32)cc1 ZINC000190702986 823600040 /nfs/dbraw/zinc/60/00/40/823600040.db2.gz BRXOZSLMYZJIFL-VLIAUNLRSA-N 1 1 394.450 4.204 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCc2cccc(F)c2)C1 ZINC000061522659 823601175 /nfs/dbraw/zinc/60/11/75/823601175.db2.gz YUYAQRHQSZTWSZ-GOSISDBHSA-N 1 1 383.511 4.100 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1cccc(F)c1 ZINC000061522657 823601223 /nfs/dbraw/zinc/60/12/23/823601223.db2.gz ATXITUXUJPYIIO-GOSISDBHSA-N 1 1 383.511 4.242 20 0 GIADMO C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000124514531 823602789 /nfs/dbraw/zinc/60/27/89/823602789.db2.gz CMRBMMWNAMRFFY-CYBMUJFWSA-N 1 1 397.407 4.012 20 0 GIADMO CC(C)n1c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2nc1C(F)(F)F ZINC000124545024 823605056 /nfs/dbraw/zinc/60/50/56/823605056.db2.gz JUWATRUHUAKCKB-HIFRSBDPSA-N 1 1 396.457 4.191 20 0 GIADMO CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124550205 823605735 /nfs/dbraw/zinc/60/57/35/823605735.db2.gz IWIXGFYFKDAZPI-PMACEKPBSA-N 1 1 399.604 4.311 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)sc2C1 ZINC000124564652 823606851 /nfs/dbraw/zinc/60/68/51/823606851.db2.gz KJHRHMYHMBGIJB-CHWSQXEVSA-N 1 1 395.450 4.282 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)sc2C1 ZINC000124564652 823606852 /nfs/dbraw/zinc/60/68/52/823606852.db2.gz KJHRHMYHMBGIJB-CHWSQXEVSA-N 1 1 395.450 4.282 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000461260015 823606884 /nfs/dbraw/zinc/60/68/84/823606884.db2.gz GGXJMORVWFZGBI-IBGZPJMESA-N 1 1 385.577 4.302 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000461260992 823607260 /nfs/dbraw/zinc/60/72/60/823607260.db2.gz WATCEGVAXABAKO-LJQANCHMSA-N 1 1 398.551 4.272 20 0 GIADMO C[NH+](C)Cc1cc(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)no1 ZINC000461262862 823608001 /nfs/dbraw/zinc/60/80/01/823608001.db2.gz APIXEJKWKBCDPW-QGZVFWFLSA-N 1 1 397.441 4.142 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000124579566 823608208 /nfs/dbraw/zinc/60/82/08/823608208.db2.gz HRPXGDZEFRKCCJ-KSZLIROESA-N 1 1 386.511 4.294 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000461267312 823609012 /nfs/dbraw/zinc/60/90/12/823609012.db2.gz ZOENNTOQGQJSEK-AWEZNQCLSA-N 1 1 379.426 4.200 20 0 GIADMO Cc1[nH+]ccn1CCCCSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000124593007 823609246 /nfs/dbraw/zinc/60/92/46/823609246.db2.gz OGNXOLJOTIUUPE-UHFFFAOYSA-N 1 1 394.500 4.115 20 0 GIADMO COc1ccc(OC(F)F)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000124591679 823609256 /nfs/dbraw/zinc/60/92/56/823609256.db2.gz NVUPPGSVPWJKEF-HXUWFJFHSA-N 1 1 377.431 4.242 20 0 GIADMO CSCCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190789685 823609423 /nfs/dbraw/zinc/60/94/23/823609423.db2.gz RRXHBJJJDXSJCS-AWEZNQCLSA-N 1 1 382.327 4.389 20 0 GIADMO Brc1ccccc1-c1nnc(C[N@H+]2CCSC3(CCC3)CC2)o1 ZINC000411864962 823611336 /nfs/dbraw/zinc/61/13/36/823611336.db2.gz FQXMYZZCJJCSTM-UHFFFAOYSA-N 1 1 394.338 4.361 20 0 GIADMO Cc1[nH+]ccn1CCCCSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000124625701 823612250 /nfs/dbraw/zinc/61/22/50/823612250.db2.gz DJPWZRYYAOAOLS-UHFFFAOYSA-N 1 1 389.834 4.479 20 0 GIADMO CCN(C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CC(C)(C)C1 ZINC000411894756 823613664 /nfs/dbraw/zinc/61/36/64/823613664.db2.gz SSXHQRONWKSARE-UHFFFAOYSA-N 1 1 396.535 4.030 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N(Cc1ccccc1)C1CC1 ZINC000061789428 823614516 /nfs/dbraw/zinc/61/45/16/823614516.db2.gz RJEGLWHSZRKPDM-UHFFFAOYSA-N 1 1 381.545 4.432 20 0 GIADMO CO[C@@](C)([C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2F)n1)C1CC1 ZINC000411934645 823614967 /nfs/dbraw/zinc/61/49/67/823614967.db2.gz AKMMVWNZADZSDT-XCLFUZPHSA-N 1 1 391.512 4.260 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000411939635 823615191 /nfs/dbraw/zinc/61/51/91/823615191.db2.gz KOBBDSOCEQLVFB-IAGOWNOFSA-N 1 1 389.377 4.063 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000411939635 823615192 /nfs/dbraw/zinc/61/51/92/823615192.db2.gz KOBBDSOCEQLVFB-IAGOWNOFSA-N 1 1 389.377 4.063 20 0 GIADMO CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000124669184 823615790 /nfs/dbraw/zinc/61/57/90/823615790.db2.gz BRWKZKRWWSFGJA-PKTZIBPZSA-N 1 1 385.596 4.219 20 0 GIADMO Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000411946643 823615836 /nfs/dbraw/zinc/61/58/36/823615836.db2.gz OMXJELWZVGJWMB-NHCUHLMSSA-N 1 1 379.891 4.413 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)cc1OC ZINC000411946601 823615897 /nfs/dbraw/zinc/61/58/97/823615897.db2.gz OKZZTRANKBRBMN-RBUKOAKNSA-N 1 1 396.512 4.135 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)cc1OC ZINC000411946601 823615899 /nfs/dbraw/zinc/61/58/99/823615899.db2.gz OKZZTRANKBRBMN-RBUKOAKNSA-N 1 1 396.512 4.135 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2c(OC)ccc3ccccc32)c1 ZINC000061860082 823616451 /nfs/dbraw/zinc/61/64/51/823616451.db2.gz MXJJOEIQZRAGMF-UHFFFAOYSA-N 1 1 391.515 4.300 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)CCCCc2ccc(Br)cc2)CC[N@H+]1C ZINC000124677890 823616511 /nfs/dbraw/zinc/61/65/11/823616511.db2.gz ULWHVMFVZTZPKK-CRAIPNDOSA-N 1 1 381.358 4.103 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2COC(C)C)c1 ZINC000061865042 823616662 /nfs/dbraw/zinc/61/66/62/823616662.db2.gz ASTCWVFUMFCFMR-UHFFFAOYSA-N 1 1 383.536 4.063 20 0 GIADMO COc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1F ZINC000061868949 823616941 /nfs/dbraw/zinc/61/69/41/823616941.db2.gz AGNNZJVVPLBUJO-QGZVFWFLSA-N 1 1 399.510 4.066 20 0 GIADMO C[C@@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000411981784 823617888 /nfs/dbraw/zinc/61/78/88/823617888.db2.gz IZSLBAYLIMOLEY-MRXNPFEDSA-N 1 1 382.895 4.096 20 0 GIADMO C[C@@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000411981784 823617890 /nfs/dbraw/zinc/61/78/90/823617890.db2.gz IZSLBAYLIMOLEY-MRXNPFEDSA-N 1 1 382.895 4.096 20 0 GIADMO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411992970 823618828 /nfs/dbraw/zinc/61/88/28/823618828.db2.gz XXWHFFQQMFRWEK-OFNKIYASSA-N 1 1 392.543 4.277 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C ZINC000411997091 823619702 /nfs/dbraw/zinc/61/97/02/823619702.db2.gz IAIYLTPYYBAYLJ-UGKGYDQZSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C ZINC000411997091 823619703 /nfs/dbraw/zinc/61/97/03/823619703.db2.gz IAIYLTPYYBAYLJ-UGKGYDQZSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000411998032 823620008 /nfs/dbraw/zinc/62/00/08/823620008.db2.gz KBPGAESAZFLPCY-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000411998032 823620010 /nfs/dbraw/zinc/62/00/10/823620010.db2.gz KBPGAESAZFLPCY-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001478 823620377 /nfs/dbraw/zinc/62/03/77/823620377.db2.gz QBXYSWOYQAJJOU-CVDCTZTESA-N 1 1 390.527 4.208 20 0 GIADMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001478 823620380 /nfs/dbraw/zinc/62/03/80/823620380.db2.gz QBXYSWOYQAJJOU-CVDCTZTESA-N 1 1 390.527 4.208 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412002312 823620670 /nfs/dbraw/zinc/62/06/70/823620670.db2.gz SXAJDAHCDAZXGV-HSZRJFAPSA-N 1 1 378.516 4.350 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412002312 823620671 /nfs/dbraw/zinc/62/06/71/823620671.db2.gz SXAJDAHCDAZXGV-HSZRJFAPSA-N 1 1 378.516 4.350 20 0 GIADMO CCC[C@@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000412003379 823620835 /nfs/dbraw/zinc/62/08/35/823620835.db2.gz XGALPQXLXHBDAJ-ISKFKSNPSA-N 1 1 392.543 4.498 20 0 GIADMO CCC[C@@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000412003379 823620836 /nfs/dbraw/zinc/62/08/36/823620836.db2.gz XGALPQXLXHBDAJ-ISKFKSNPSA-N 1 1 392.543 4.498 20 0 GIADMO CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412005212 823621305 /nfs/dbraw/zinc/62/13/05/823621305.db2.gz ZTTZILVCBRIECL-QPPBQGQZSA-N 1 1 395.543 4.403 20 0 GIADMO Cc1ccc(-c2cnc(C[NH2+][C@H](c3ccccc3)C3(CO)CCOCC3)o2)cc1 ZINC000412006214 823621553 /nfs/dbraw/zinc/62/15/53/823621553.db2.gz CONMTLVUEVDXAY-HSZRJFAPSA-N 1 1 392.499 4.270 20 0 GIADMO CC(C)(CNC(=O)NCc1cc2ccccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000062029681 823622212 /nfs/dbraw/zinc/62/22/12/823622212.db2.gz JRYZKXMIDTXJMM-UHFFFAOYSA-N 1 1 377.488 4.069 20 0 GIADMO CC(C)OCc1ccccc1CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062016514 823622236 /nfs/dbraw/zinc/62/22/36/823622236.db2.gz OTCGDRBFEWIFSG-QHCPKHFHSA-N 1 1 395.547 4.075 20 0 GIADMO CC(C)(C)CN1CCC[C@H]([N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000461357287 823622307 /nfs/dbraw/zinc/62/23/07/823622307.db2.gz BUWYDJKHUWTVFH-YJBOKZPZSA-N 1 1 387.499 4.183 20 0 GIADMO O=C(CC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)N1CCCc2ccccc21 ZINC000412013934 823622647 /nfs/dbraw/zinc/62/26/47/823622647.db2.gz PMPMYPWOSFQCIR-XMMPIXPASA-N 1 1 390.527 4.210 20 0 GIADMO CC(C)CCc1nc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCOCC2)cs1 ZINC000412013507 823622673 /nfs/dbraw/zinc/62/26/73/823622673.db2.gz VCLCBRVSWUEKRG-NRFANRHFSA-N 1 1 388.577 4.352 20 0 GIADMO COC(=O)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1Cl ZINC000412015662 823622968 /nfs/dbraw/zinc/62/29/68/823622968.db2.gz TVPLUNBPQCLXGL-HXUWFJFHSA-N 1 1 385.891 4.480 20 0 GIADMO COC(=O)c1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1Cl ZINC000412015662 823622969 /nfs/dbraw/zinc/62/29/69/823622969.db2.gz TVPLUNBPQCLXGL-HXUWFJFHSA-N 1 1 385.891 4.480 20 0 GIADMO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000461361494 823622996 /nfs/dbraw/zinc/62/29/96/823622996.db2.gz JDYSPCKGRAKGAA-GOSISDBHSA-N 1 1 382.895 4.491 20 0 GIADMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000461361494 823622999 /nfs/dbraw/zinc/62/29/99/823622999.db2.gz JDYSPCKGRAKGAA-GOSISDBHSA-N 1 1 382.895 4.491 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@H](C)C2(OC)CCC2)cs1 ZINC000412021965 823623244 /nfs/dbraw/zinc/62/32/44/823623244.db2.gz PRKQQODIJHHPLH-OAHLLOKOSA-N 1 1 387.549 4.437 20 0 GIADMO C[C@@H](c1ccc(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000412038531 823623915 /nfs/dbraw/zinc/62/39/15/823623915.db2.gz XMYUXXYRVMPSLF-LAUBAEHRSA-N 1 1 394.515 4.363 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000412057016 823624459 /nfs/dbraw/zinc/62/44/59/823624459.db2.gz PYJJLBWTOZRPRZ-PKOBYXMFSA-N 1 1 391.353 4.303 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC000412056525 823624490 /nfs/dbraw/zinc/62/44/90/823624490.db2.gz OSIDGYBXEHCECZ-HNNXBMFYSA-N 1 1 385.733 4.079 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC000412056525 823624492 /nfs/dbraw/zinc/62/44/92/823624492.db2.gz OSIDGYBXEHCECZ-HNNXBMFYSA-N 1 1 385.733 4.079 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)CC1 ZINC000412058185 823624809 /nfs/dbraw/zinc/62/48/09/823624809.db2.gz ULQNQXKLIOXRHZ-OAHLLOKOSA-N 1 1 385.733 4.079 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Br)CC1 ZINC000412058185 823624810 /nfs/dbraw/zinc/62/48/10/823624810.db2.gz ULQNQXKLIOXRHZ-OAHLLOKOSA-N 1 1 385.733 4.079 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000062230757 823625332 /nfs/dbraw/zinc/62/53/32/823625332.db2.gz PHOLFYPESGECQS-KRWDZBQOSA-N 1 1 376.422 4.347 20 0 GIADMO COC(=O)[C@]1(C)CCC[N@H+]([C@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000412072127 823625700 /nfs/dbraw/zinc/62/57/00/823625700.db2.gz PQNLUYWWSCWWAN-ADLMAVQZSA-N 1 1 398.290 4.380 20 0 GIADMO CC(C)(C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)cc1 ZINC000461425177 823633806 /nfs/dbraw/zinc/63/38/06/823633806.db2.gz CMQRUAMFAIEPEW-UXHICEINSA-N 1 1 380.507 4.084 20 0 GIADMO CC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1c(C)noc1C ZINC000190982604 823634275 /nfs/dbraw/zinc/63/42/75/823634275.db2.gz LNHOWVRZKDBZLS-GJZGRUSLSA-N 1 1 382.291 4.444 20 0 GIADMO C[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1F ZINC000461426906 823634339 /nfs/dbraw/zinc/63/43/39/823634339.db2.gz JXVUXNCTKRRGMP-MISYRCLQSA-N 1 1 398.497 4.439 20 0 GIADMO O=C(CCc1cncc2ccccc21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461427023 823634528 /nfs/dbraw/zinc/63/45/28/823634528.db2.gz KITXHHZSBHVAIG-ZEQRLZLVSA-N 1 1 399.538 4.148 20 0 GIADMO Cc1nc2ccc(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2s1 ZINC000461428919 823634864 /nfs/dbraw/zinc/63/48/64/823634864.db2.gz UAOCQXYHXDTTMP-VQTJNVASSA-N 1 1 391.540 4.199 20 0 GIADMO CSc1cccc(F)c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461428848 823634904 /nfs/dbraw/zinc/63/49/04/823634904.db2.gz NUQAANVORNNVJS-MSOLQXFVSA-N 1 1 384.520 4.142 20 0 GIADMO CCOc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000062426533 823634895 /nfs/dbraw/zinc/63/48/95/823634895.db2.gz KUFUSHMAZCQRLZ-JOCHJYFZSA-N 1 1 382.548 4.486 20 0 GIADMO CCOc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000062426533 823634898 /nfs/dbraw/zinc/63/48/98/823634898.db2.gz KUFUSHMAZCQRLZ-JOCHJYFZSA-N 1 1 382.548 4.486 20 0 GIADMO CCOc1ccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc1OCC ZINC000062426533 823634900 /nfs/dbraw/zinc/63/49/00/823634900.db2.gz KUFUSHMAZCQRLZ-JOCHJYFZSA-N 1 1 382.548 4.486 20 0 GIADMO CCCOc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000062426591 823634912 /nfs/dbraw/zinc/63/49/12/823634912.db2.gz RSRWQIFOWVRUNV-JOCHJYFZSA-N 1 1 382.548 4.486 20 0 GIADMO CCCOc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000062426591 823634915 /nfs/dbraw/zinc/63/49/15/823634915.db2.gz RSRWQIFOWVRUNV-JOCHJYFZSA-N 1 1 382.548 4.486 20 0 GIADMO CCCOc1ccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc1OC ZINC000062426591 823634918 /nfs/dbraw/zinc/63/49/18/823634918.db2.gz RSRWQIFOWVRUNV-JOCHJYFZSA-N 1 1 382.548 4.486 20 0 GIADMO CCN(C(=O)[C@@H]1C[C@H]1c1cccc(O)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000412200499 823635221 /nfs/dbraw/zinc/63/52/21/823635221.db2.gz ZPTZYTVORAIEGI-ZZNFJVAJSA-N 1 1 378.516 4.180 20 0 GIADMO Cc1c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cnc2ccccc12 ZINC000461431103 823635554 /nfs/dbraw/zinc/63/55/54/823635554.db2.gz QLJVFANJNUHNOC-RTWAWAEBSA-N 1 1 385.511 4.137 20 0 GIADMO Cc1ccc(C[C@H](C)C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461433241 823636307 /nfs/dbraw/zinc/63/63/07/823636307.db2.gz WIZLSGBIWKUAFD-TUACAJSNSA-N 1 1 376.544 4.154 20 0 GIADMO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461435929 823636904 /nfs/dbraw/zinc/63/69/04/823636904.db2.gz LQKPTQCEVTZOHR-ZGXWSNOMSA-N 1 1 396.481 4.049 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC)CC1)CC(C)C ZINC000412226761 823637374 /nfs/dbraw/zinc/63/73/74/823637374.db2.gz COPKGYYVEZEGLW-FCHUYYIVSA-N 1 1 386.580 4.405 20 0 GIADMO C[C@H](CCc1ccccc1F)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438337 823637584 /nfs/dbraw/zinc/63/75/84/823637584.db2.gz LERGXVKGTAJSKR-WTIAFYNJSA-N 1 1 394.534 4.375 20 0 GIADMO Cc1nc(CC(C)C)c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461440100 823637848 /nfs/dbraw/zinc/63/78/48/823637848.db2.gz WSZLGMBCXWYJGV-VQTJNVASSA-N 1 1 397.588 4.244 20 0 GIADMO COc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461444557 823639122 /nfs/dbraw/zinc/63/91/22/823639122.db2.gz LCGPCKLYOLYDCG-HJNYFJLDSA-N 1 1 392.543 4.169 20 0 GIADMO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445764 823639162 /nfs/dbraw/zinc/63/91/62/823639162.db2.gz IHGSGWFVIWXMRR-NHCUHLMSSA-N 1 1 387.527 4.379 20 0 GIADMO CSc1c(F)cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461449901 823639983 /nfs/dbraw/zinc/63/99/83/823639983.db2.gz PEXRSSSSAOTJOL-QZTJIDSGSA-N 1 1 384.520 4.142 20 0 GIADMO CSc1c(F)cccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461449900 823640009 /nfs/dbraw/zinc/64/00/09/823640009.db2.gz PEXRSSSSAOTJOL-MSOLQXFVSA-N 1 1 384.520 4.142 20 0 GIADMO O=C(c1cc(F)c(Cl)cc1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457011 823641658 /nfs/dbraw/zinc/64/16/58/823641658.db2.gz PASZGUCQQYUBQS-JKSUJKDBSA-N 1 1 390.861 4.212 20 0 GIADMO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2nccc(OC)c2OC)cc1 ZINC000191047781 823642228 /nfs/dbraw/zinc/64/22/28/823642228.db2.gz VTKAMKUHFXNMMY-HXUWFJFHSA-N 1 1 396.462 4.320 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC(=O)c2ccccc21 ZINC000461468418 823643292 /nfs/dbraw/zinc/64/32/92/823643292.db2.gz JROYMYMTAXZQBZ-NFBKMPQASA-N 1 1 390.527 4.165 20 0 GIADMO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000461469104 823643528 /nfs/dbraw/zinc/64/35/28/823643528.db2.gz UUIPBEPFQIZTBU-JTHBVZDNSA-N 1 1 379.548 4.240 20 0 GIADMO CC[C@H](Nc1ccccc1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461471882 823643926 /nfs/dbraw/zinc/64/39/26/823643926.db2.gz IBMXUDQCPKRIMP-GMAHTHKFSA-N 1 1 379.548 4.296 20 0 GIADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(C)oc3C)n2Cc2cccs2)C[C@@H]1C ZINC000461477701 823644669 /nfs/dbraw/zinc/64/46/69/823644669.db2.gz GZJDAGXTKBQWDS-LSDHHAIUSA-N 1 1 399.564 4.184 20 0 GIADMO O=C(c1ccc(Oc2ccncc2)c(Cl)c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412304347 823644750 /nfs/dbraw/zinc/64/47/50/823644750.db2.gz AHAWFBUCYVMBSN-UHFFFAOYSA-N 1 1 399.922 4.475 20 0 GIADMO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(O)c1 ZINC000191076887 823645602 /nfs/dbraw/zinc/64/56/02/823645602.db2.gz JWNLFDJPFSIOBW-WAOWUJCRSA-N 1 1 381.520 4.148 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000191084204 823646626 /nfs/dbraw/zinc/64/66/26/823646626.db2.gz MNDDLPPEVJSJJC-CVEARBPZSA-N 1 1 385.474 4.182 20 0 GIADMO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)n1Cc1cccs1 ZINC000461488512 823646964 /nfs/dbraw/zinc/64/69/64/823646964.db2.gz HSOIIDNJYSMRQH-BBWFWOEESA-N 1 1 375.586 4.210 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000412370147 823650471 /nfs/dbraw/zinc/65/04/71/823650471.db2.gz OXTYJBOVFDRZGE-ACIOBRDBSA-N 1 1 392.543 4.217 20 0 GIADMO O=C(COc1ccc(Cl)cc1C1CCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000063114397 823652079 /nfs/dbraw/zinc/65/20/79/823652079.db2.gz QNXKDXCSNIDLRL-KRWDZBQOSA-N 1 1 376.928 4.119 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC(c4cccc(Cl)c4)C3)cc2)C[C@@H](C)O1 ZINC000412392467 823652262 /nfs/dbraw/zinc/65/22/62/823652262.db2.gz DCEWBIQDFCTMQB-IAGOWNOFSA-N 1 1 398.934 4.189 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CC(c4cccc(Cl)c4)C3)cc2)C[C@H](C)O1 ZINC000412392468 823652267 /nfs/dbraw/zinc/65/22/67/823652267.db2.gz DCEWBIQDFCTMQB-IRXDYDNUSA-N 1 1 398.934 4.189 20 0 GIADMO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)[C@H]4CC[N@H+](C)C[C@@H]4C)ccc32)c1 ZINC000191159909 823654957 /nfs/dbraw/zinc/65/49/57/823654957.db2.gz MZKDNOMIMRYNTJ-RXVVDRJESA-N 1 1 390.531 4.055 20 0 GIADMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCSC2(CCC2)CC1 ZINC000412449034 823655711 /nfs/dbraw/zinc/65/57/11/823655711.db2.gz BMVBXNBEVMSCEC-GOSISDBHSA-N 1 1 387.593 4.381 20 0 GIADMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000191170659 823655988 /nfs/dbraw/zinc/65/59/88/823655988.db2.gz ZMGPPYQSYZDAKI-HUUCEWRRSA-N 1 1 388.895 4.305 20 0 GIADMO CCCCN(C(=O)c1cccc(-c2nnc[nH]2)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000125183292 823657385 /nfs/dbraw/zinc/65/73/85/823657385.db2.gz OZSRRDIUFISOLH-UHFFFAOYSA-N 1 1 383.540 4.023 20 0 GIADMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cccc(NC(=O)OC(C)(C)C)c2)cn1 ZINC000191193962 823658228 /nfs/dbraw/zinc/65/82/28/823658228.db2.gz RYUCSZOSHDJCQZ-GOSISDBHSA-N 1 1 388.537 4.057 20 0 GIADMO Cn1cc([C@H]2CSCC[N@H+]2Cc2cccc(NC(=O)OC(C)(C)C)c2)cn1 ZINC000191193962 823658232 /nfs/dbraw/zinc/65/82/32/823658232.db2.gz RYUCSZOSHDJCQZ-GOSISDBHSA-N 1 1 388.537 4.057 20 0 GIADMO CCc1noc(CC)c1CC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000125214826 823659651 /nfs/dbraw/zinc/65/96/51/823659651.db2.gz ZXWBKPMDKOBWHX-HKUYNNGSSA-N 1 1 383.536 4.026 20 0 GIADMO CCc1ccc(C[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C2CC2)cc1 ZINC000063286364 823659980 /nfs/dbraw/zinc/65/99/80/823659980.db2.gz LXSPVUIAXKJKOS-UHFFFAOYSA-N 1 1 387.545 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C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(Br)cc1N1CCOCC1 ZINC000191610558 823712106 /nfs/dbraw/zinc/71/21/06/823712106.db2.gz FEFUAHKCUSWSRO-AWEZNQCLSA-N 1 1 379.298 4.072 20 0 GIADMO O=C(C[NH+]1CCC(c2ccncc2)CC1)N(Cc1ccco1)c1ccccc1 ZINC000191613366 823712829 /nfs/dbraw/zinc/71/28/29/823712829.db2.gz XBTFGDGTCYXQPJ-UHFFFAOYSA-N 1 1 375.472 4.087 20 0 GIADMO CC(C)CN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCc2cccnc21 ZINC000163495484 823715438 /nfs/dbraw/zinc/71/54/38/823715438.db2.gz VCBNYJOTJDTDGX-TZIWHRDSSA-N 1 1 384.568 4.144 20 0 GIADMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000163506838 823716410 /nfs/dbraw/zinc/71/64/10/823716410.db2.gz DZFVYTTXPQXTIF-QGZVFWFLSA-N 1 1 385.552 4.019 20 0 GIADMO Clc1cccc(-c2nnc(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000574388623 823717280 /nfs/dbraw/zinc/71/72/80/823717280.db2.gz GWCZIVFQAMZSHR-OAQYLSRUSA-N 1 1 381.863 4.360 20 0 GIADMO Clc1cccc(-c2nnc(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000574388623 823717286 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CC[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)CC(F)(F)F ZINC000413212748 823729233 /nfs/dbraw/zinc/72/92/33/823729233.db2.gz ZELMXSGHANFGKW-HUUCEWRRSA-N 1 1 391.503 4.238 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1CC(F)(F)F ZINC000163633801 823729945 /nfs/dbraw/zinc/72/99/45/823729945.db2.gz PTLKDKLZSUYBOY-KXBFYZLASA-N 1 1 391.437 4.433 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000064022789 823734944 /nfs/dbraw/zinc/73/49/44/823734944.db2.gz HQVFGMLKOHCPAW-FQEVSTJZSA-N 1 1 391.559 4.244 20 0 GIADMO COc1ccc(-c2cnc(CCC(=O)NCCC[N@@H+](C)C3CCCCC3)o2)cc1 ZINC000064025173 823735387 /nfs/dbraw/zinc/73/53/87/823735387.db2.gz PSTULEACIIAPMS-UHFFFAOYSA-N 1 1 399.535 4.054 20 0 GIADMO C[C@H](CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000064034104 823737845 /nfs/dbraw/zinc/73/78/45/823737845.db2.gz XRVLWVAPJOXWMW-VQTJNVASSA-N 1 1 391.559 4.100 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)cc1)C1CC1 ZINC000125898838 823739663 /nfs/dbraw/zinc/73/96/63/823739663.db2.gz NKGPTRXXGFZHOT-UHFFFAOYSA-N 1 1 386.499 4.405 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(N3CCc4ccccc4C3)cc2)CC1 ZINC000064057506 823741518 /nfs/dbraw/zinc/74/15/18/823741518.db2.gz HFEBCKCKEQTBGJ-UHFFFAOYSA-N 1 1 391.559 4.196 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(Cl)c3Br)CC[C@@H]21 ZINC000191716352 823745056 /nfs/dbraw/zinc/74/50/56/823745056.db2.gz IGTVUNSSGBILQM-RISCZKNCSA-N 1 1 386.721 4.051 20 0 GIADMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000574497087 823748711 /nfs/dbraw/zinc/74/87/11/823748711.db2.gz PZEVISHOFNQEGA-KMFMINBZSA-N 1 1 376.451 4.396 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000461908567 823749429 /nfs/dbraw/zinc/74/94/29/823749429.db2.gz GHAVJNACJXJFGU-YJBOKZPZSA-N 1 1 383.458 4.026 20 0 GIADMO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1 ZINC000574501587 823750093 /nfs/dbraw/zinc/75/00/93/823750093.db2.gz YZFZFWMZLPIMJQ-HKUYNNGSSA-N 1 1 399.498 4.208 20 0 GIADMO O=C(NCc1ccc(Sc2ccccc2)cc1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000125955592 823752727 /nfs/dbraw/zinc/75/27/27/823752727.db2.gz ZOCQNNOEXCGTLN-QFIPXVFZSA-N 1 1 396.556 4.097 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccc(F)cc4)cc3)C2)n1 ZINC000064143278 823754747 /nfs/dbraw/zinc/75/47/47/823754747.db2.gz KSCCDWCUZLRFMA-LJQANCHMSA-N 1 1 381.451 4.476 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1Br)c1cnn(C)c1 ZINC000163876456 823756241 /nfs/dbraw/zinc/75/62/41/823756241.db2.gz XYOAOKGOSOXANS-ZJUUUORDSA-N 1 1 387.119 4.357 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccccc1 ZINC000125971945 823756767 /nfs/dbraw/zinc/75/67/67/823756767.db2.gz DYXLNYHKJJTYQX-VXKWHMMOSA-N 1 1 375.447 4.125 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000125973819 823757096 /nfs/dbraw/zinc/75/70/96/823757096.db2.gz CWZNJHJQOCWEDO-VXKWHMMOSA-N 1 1 393.437 4.264 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)ccc1O ZINC000125974364 823757163 /nfs/dbraw/zinc/75/71/63/823757163.db2.gz GDUQFCKEMFYCTD-UHFFFAOYSA-N 1 1 398.503 4.330 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000574536956 823757984 /nfs/dbraw/zinc/75/79/84/823757984.db2.gz XGCVMXPXQLWMQL-PMACEKPBSA-N 1 1 380.536 4.328 20 0 GIADMO C[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)c1cccc(Br)c1 ZINC000461925095 823758697 /nfs/dbraw/zinc/75/86/97/823758697.db2.gz ZWDAABDVCBVGSH-RCJHGTSTSA-N 1 1 393.369 4.416 20 0 GIADMO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC(F)(F)F ZINC000413370057 823761576 /nfs/dbraw/zinc/76/15/76/823761576.db2.gz VKVLCAXTMFKZQU-XYJFISCASA-N 1 1 385.474 4.317 20 0 GIADMO O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000461930289 823761651 /nfs/dbraw/zinc/76/16/51/823761651.db2.gz BKNZXEKGQGKUOK-UHFFFAOYSA-N 1 1 395.434 4.241 20 0 GIADMO Cc1ccc2nc(C[N@H+](C)CCCc3cc(-c4ccc(F)cc4)n(C)n3)cn2c1 ZINC000574576638 823770633 /nfs/dbraw/zinc/77/06/33/823770633.db2.gz CQZDJNGYTKOJKT-UHFFFAOYSA-N 1 1 391.494 4.247 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)COc2c(C)cccc2C)c1 ZINC000064227576 823775145 /nfs/dbraw/zinc/77/51/45/823775145.db2.gz PQHLMPLMOUAEAQ-LJQANCHMSA-N 1 1 383.536 4.022 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000126053367 823775601 /nfs/dbraw/zinc/77/56/01/823775601.db2.gz RXNALMTVUHHIPY-IFMALSPDSA-N 1 1 393.437 4.264 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000064229876 823775737 /nfs/dbraw/zinc/77/57/37/823775737.db2.gz ZTZQAMLCIQDFAL-UHFFFAOYSA-N 1 1 393.453 4.499 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)CCCOc2ccccc2C)c1 ZINC000064230006 823776333 /nfs/dbraw/zinc/77/63/33/823776333.db2.gz BMGGUMAYKGRQDS-UHFFFAOYSA-N 1 1 383.536 4.057 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2Cc2cccc(OC)c2)c1 ZINC000064230005 823776364 /nfs/dbraw/zinc/77/63/64/823776364.db2.gz QGOLZQNMJVQIAI-QFIPXVFZSA-N 1 1 395.547 4.064 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000126067631 823778968 /nfs/dbraw/zinc/77/89/68/823778968.db2.gz FJKPOPGATYBBQD-UHFFFAOYSA-N 1 1 396.506 4.302 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000126067631 823778976 /nfs/dbraw/zinc/77/89/76/823778976.db2.gz FJKPOPGATYBBQD-UHFFFAOYSA-N 1 1 396.506 4.302 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000126083782 823782677 /nfs/dbraw/zinc/78/26/77/823782677.db2.gz BBXUKACXIJISQZ-UHFFFAOYSA-N 1 1 376.456 4.079 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461985754 823783356 /nfs/dbraw/zinc/78/33/56/823783356.db2.gz RDMYBGVMXRHSHF-HNNXBMFYSA-N 1 1 397.466 4.255 20 0 GIADMO C[N@@H+](CCCCS(C)(=O)=O)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000164174299 823783623 /nfs/dbraw/zinc/78/36/23/823783623.db2.gz NAPAWDJCVHTKSX-LJQANCHMSA-N 1 1 383.916 4.325 20 0 GIADMO Cc1noc(C)c1C(C)(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000574624068 823784499 /nfs/dbraw/zinc/78/44/99/823784499.db2.gz BPFRGYCCNMZBQU-SFHVURJKSA-N 1 1 389.927 4.176 20 0 GIADMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1Cl ZINC000574633590 823786902 /nfs/dbraw/zinc/78/69/02/823786902.db2.gz WPNQSVPKUQGFBD-GOEBONIOSA-N 1 1 392.330 4.478 20 0 GIADMO CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000574642143 823788037 /nfs/dbraw/zinc/78/80/37/823788037.db2.gz GSYXEONNQMJGDJ-XJKSGUPXSA-N 1 1 379.426 4.382 20 0 GIADMO CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000064310757 823788922 /nfs/dbraw/zinc/78/89/22/823788922.db2.gz ICLIARLXNGHWCU-XLNRJJMWSA-N 1 1 395.547 4.107 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC=C(F)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000462000396 823789674 /nfs/dbraw/zinc/78/96/74/823789674.db2.gz BARZQMKHRLNDGM-CRAIPNDOSA-N 1 1 399.432 4.357 20 0 GIADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCSc1nc2ccccc2s1 ZINC000064311949 823789641 /nfs/dbraw/zinc/78/96/41/823789641.db2.gz OGLARYXQRNZEQU-CABCVRRESA-N 1 1 377.579 4.015 20 0 GIADMO CCN(Cc1ccccc1)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000064316861 823790397 /nfs/dbraw/zinc/79/03/97/823790397.db2.gz LOPLNXYZHBVQAZ-NRFANRHFSA-N 1 1 390.449 4.490 20 0 GIADMO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)CC(F)(F)F ZINC000413526037 823792273 /nfs/dbraw/zinc/79/22/73/823792273.db2.gz BAYAQBIVZFZCJQ-WBVHZDCISA-N 1 1 385.474 4.175 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000574657394 823792764 /nfs/dbraw/zinc/79/27/64/823792764.db2.gz MTXYSFNMEGSRIS-GAJHUEQPSA-N 1 1 393.510 4.197 20 0 GIADMO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000574657394 823792770 /nfs/dbraw/zinc/79/27/70/823792770.db2.gz MTXYSFNMEGSRIS-GAJHUEQPSA-N 1 1 393.510 4.197 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000574657394 823792779 /nfs/dbraw/zinc/79/27/79/823792779.db2.gz MTXYSFNMEGSRIS-GAJHUEQPSA-N 1 1 393.510 4.197 20 0 GIADMO CC(C)N(Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000462014567 823795324 /nfs/dbraw/zinc/79/53/24/823795324.db2.gz ZRWDSPVZYQCLFL-HNNXBMFYSA-N 1 1 384.362 4.098 20 0 GIADMO CC(C)(C)c1csc(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000462015875 823795831 /nfs/dbraw/zinc/79/58/31/823795831.db2.gz LLHWEMRISHWSQH-SFHVURJKSA-N 1 1 385.577 4.154 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)c(Br)c1 ZINC000574671777 823796185 /nfs/dbraw/zinc/79/61/85/823796185.db2.gz YECQUFIXSMWDED-QGZVFWFLSA-N 1 1 378.241 4.152 20 0 GIADMO Brc1ccc2c(Cc3noc([C@H]4CCC[N@@H+]4C4CC4)n3)c[nH]c2c1 ZINC000574674213 823796960 /nfs/dbraw/zinc/79/69/60/823796960.db2.gz HMHWPJKPEPMRRE-MRXNPFEDSA-N 1 1 387.281 4.204 20 0 GIADMO Brc1ccc2c(Cc3noc([C@H]4CCC[N@H+]4C4CC4)n3)c[nH]c2c1 ZINC000574674213 823796963 /nfs/dbraw/zinc/79/69/63/823796963.db2.gz HMHWPJKPEPMRRE-MRXNPFEDSA-N 1 1 387.281 4.204 20 0 GIADMO Cc1[nH+]ccn1CCCC(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000164368051 823798254 /nfs/dbraw/zinc/79/82/54/823798254.db2.gz PTHQRTKHSFNMCW-UHFFFAOYSA-N 1 1 381.451 4.262 20 0 GIADMO CC[C@@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)c1c(C)nn(C)c1C ZINC000164377220 823798856 /nfs/dbraw/zinc/79/88/56/823798856.db2.gz CQDBNCIODYYRDF-IRLDBZIGSA-N 1 1 376.504 4.458 20 0 GIADMO Cc1c(O)ccc2c(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc(=O)oc12 ZINC000064350350 823799094 /nfs/dbraw/zinc/79/90/94/823799094.db2.gz PMAFNRPEKJFUPZ-UHFFFAOYSA-N 1 1 382.416 4.126 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@H]2CCc3cc(Br)ccc32)c(OC)c1 ZINC000164397441 823800587 /nfs/dbraw/zinc/80/05/87/823800587.db2.gz KPGRYPOSUNPKOI-KRWDZBQOSA-N 1 1 392.293 4.252 20 0 GIADMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)Cc1ccccc1 ZINC000064370361 823801995 /nfs/dbraw/zinc/80/19/95/823801995.db2.gz BWKPXNQQAHEGHU-UHFFFAOYSA-N 1 1 386.801 4.352 20 0 GIADMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)Cc1ccccc1 ZINC000064370361 823802008 /nfs/dbraw/zinc/80/20/08/823802008.db2.gz BWKPXNQQAHEGHU-UHFFFAOYSA-N 1 1 386.801 4.352 20 0 GIADMO S=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc2c(c1)CCC2 ZINC000064377933 823804190 /nfs/dbraw/zinc/80/41/90/823804190.db2.gz XJMAWRUKGKMDHW-INIZCTEOSA-N 1 1 385.602 4.435 20 0 GIADMO FC(F)c1ccnc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000413624585 823804776 /nfs/dbraw/zinc/80/47/76/823804776.db2.gz WQQCEBPJPZRFQO-UHFFFAOYSA-N 1 1 397.267 4.253 20 0 GIADMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccncc1 ZINC000191902975 823808216 /nfs/dbraw/zinc/80/82/16/823808216.db2.gz MRVUMSRAKRFHAR-OAQYLSRUSA-N 1 1 386.398 4.188 20 0 GIADMO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2F)c(C)c1 ZINC000574720888 823809069 /nfs/dbraw/zinc/80/90/69/823809069.db2.gz GDUDXEKGMTVDCV-CYBMUJFWSA-N 1 1 379.273 4.494 20 0 GIADMO COC(=O)C[C@](C)([NH2+]Cc1cc(Br)ccc1Cl)c1ccncc1 ZINC000191905738 823809519 /nfs/dbraw/zinc/80/95/19/823809519.db2.gz ACFDTZRLGNQBEM-KRWDZBQOSA-N 1 1 397.700 4.066 20 0 GIADMO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000164605769 823811756 /nfs/dbraw/zinc/81/17/56/823811756.db2.gz COSFEHYTMUSKTE-XJKSGUPXSA-N 1 1 391.309 4.060 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000126208773 823812583 /nfs/dbraw/zinc/81/25/83/823812583.db2.gz QNPFPCWHNIEPHW-GOSISDBHSA-N 1 1 381.520 4.013 20 0 GIADMO CN(C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000462050835 823812774 /nfs/dbraw/zinc/81/27/74/823812774.db2.gz BVMLIJAMVNZKCE-KDOFPFPSSA-N 1 1 382.335 4.323 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000462052068 823813121 /nfs/dbraw/zinc/81/31/21/823813121.db2.gz PMRIVIJNMGXOMF-GFCCVEGCSA-N 1 1 399.438 4.116 20 0 GIADMO CCc1cc2c(n1Cc1ccccc1)CCC[C@H]2[NH2+][C@H]1CCCn2ncnc21 ZINC000164738084 823817804 /nfs/dbraw/zinc/81/78/04/823817804.db2.gz VVKZQBUXAYXTJO-RTWAWAEBSA-N 1 1 375.520 4.192 20 0 GIADMO CCc1c(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cnn1C(CC)CC ZINC000574767742 823821895 /nfs/dbraw/zinc/82/18/95/823821895.db2.gz AHUFPQFUWZXQJA-INIZCTEOSA-N 1 1 375.561 4.145 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1CCC(C2OCCO2)CC1 ZINC000126258750 823822649 /nfs/dbraw/zinc/82/26/49/823822649.db2.gz FYJUFOPFEWFRKU-NSHDSACASA-N 1 1 398.290 4.189 20 0 GIADMO CCCc1c(NC(=O)NCCCCn2cc[nH+]c2C)cnn1-c1ccc(F)cc1 ZINC000191955174 823823220 /nfs/dbraw/zinc/82/32/20/823823220.db2.gz YRUXZZZWSIHKNK-UHFFFAOYSA-N 1 1 398.486 4.071 20 0 GIADMO Cc1nc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc2o1 ZINC000126270523 823825518 /nfs/dbraw/zinc/82/55/18/823825518.db2.gz GIMFVBJHIRNEEC-UHFFFAOYSA-N 1 1 382.439 4.015 20 0 GIADMO Cc1nc2ccc(NC(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc2o1 ZINC000126270523 823825526 /nfs/dbraw/zinc/82/55/26/823825526.db2.gz GIMFVBJHIRNEEC-UHFFFAOYSA-N 1 1 382.439 4.015 20 0 GIADMO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064481572 823827783 /nfs/dbraw/zinc/82/77/83/823827783.db2.gz WIZGBNORLUCUMD-YLJYHZDGSA-N 1 1 378.944 4.083 20 0 GIADMO C[C@H](NC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)c1cccc(OC(F)F)c1 ZINC000126281712 823828591 /nfs/dbraw/zinc/82/85/91/823828591.db2.gz HKCIRZOGKSPART-CABCVRRESA-N 1 1 381.467 4.007 20 0 GIADMO C[C@H](NC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)c1ccc(OC(F)F)cc1 ZINC000126284354 823829783 /nfs/dbraw/zinc/82/97/83/823829783.db2.gz KQDONDZGIGHWAY-CABCVRRESA-N 1 1 381.467 4.007 20 0 GIADMO Brc1cccc(-c2cnc(C[N@H+]3CC[C@H](c4cccnc4)C3)o2)c1 ZINC000574808044 823832618 /nfs/dbraw/zinc/83/26/18/823832618.db2.gz PWVUDVIYWLZCQM-INIZCTEOSA-N 1 1 384.277 4.489 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1cc(Br)cs1)Cc1ccncc1 ZINC000574847176 823841583 /nfs/dbraw/zinc/84/15/83/823841583.db2.gz WPBQRLJOJCKMOJ-KRWDZBQOSA-N 1 1 394.382 4.392 20 0 GIADMO C[C@H]([C@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@@H](c2ccc3ccccc3c2)C1=O ZINC000574852737 823843604 /nfs/dbraw/zinc/84/36/04/823843604.db2.gz YXZPFMVPMMNRIZ-BUVFEPMLSA-N 1 1 391.515 4.086 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Oc1cccnc1 ZINC000165344804 823844280 /nfs/dbraw/zinc/84/42/80/823844280.db2.gz ZSCPAJXYQYTXJY-FXAWDEMLSA-N 1 1 380.492 4.130 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccn(C4CCCC4)n3)C2)cc1 ZINC000574856453 823844589 /nfs/dbraw/zinc/84/45/89/823844589.db2.gz CWEGBYCQTHTJDM-IBGZPJMESA-N 1 1 395.551 4.340 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)cc1 ZINC000574856453 823844595 /nfs/dbraw/zinc/84/45/95/823844595.db2.gz CWEGBYCQTHTJDM-IBGZPJMESA-N 1 1 395.551 4.340 20 0 GIADMO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Br)cn1 ZINC000126350839 823846376 /nfs/dbraw/zinc/84/63/76/823846376.db2.gz FQTBHUJGNFEHSF-LBPRGKRZSA-N 1 1 389.272 4.328 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000192059583 823847260 /nfs/dbraw/zinc/84/72/60/823847260.db2.gz PFPOGWLVAZPQSL-ICSRJNTNSA-N 1 1 399.878 4.409 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000462157389 823848118 /nfs/dbraw/zinc/84/81/18/823848118.db2.gz GQSRSFSRILMORM-JVGQSUMCSA-N 1 1 382.470 4.382 20 0 GIADMO O=C(C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)Nc1ccc(F)cc1 ZINC000064614689 823853032 /nfs/dbraw/zinc/85/30/32/823853032.db2.gz CRDDNKSVGGKCLF-UHFFFAOYSA-N 1 1 399.853 4.181 20 0 GIADMO C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462171677 823852955 /nfs/dbraw/zinc/85/29/55/823852955.db2.gz PUZFZCOTJRTIGS-LBPRGKRZSA-N 1 1 394.302 4.337 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000574890816 823853153 /nfs/dbraw/zinc/85/31/53/823853153.db2.gz WOQHXJQBCFXKBM-WIYYLYMNSA-N 1 1 382.552 4.195 20 0 GIADMO O=C(Nc1ccc(C(=O)C2CCC2)cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000574893037 823853688 /nfs/dbraw/zinc/85/36/88/823853688.db2.gz LBNSSMFACORZDX-UHFFFAOYSA-N 1 1 397.544 4.123 20 0 GIADMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561932 823853818 /nfs/dbraw/zinc/85/38/18/823853818.db2.gz WAUMJAWNJRGPNS-OHUGHZGNSA-N 1 1 388.559 4.417 20 0 GIADMO Cc1ccc(C)c(OC2CC[NH+](CC(=O)NCc3cccc(Cl)c3)CC2)c1 ZINC000064632141 823855154 /nfs/dbraw/zinc/85/51/54/823855154.db2.gz WDQNVUMNOLMHBA-UHFFFAOYSA-N 1 1 386.923 4.116 20 0 GIADMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000126394871 823856050 /nfs/dbraw/zinc/85/60/50/823856050.db2.gz FKOYMXRVCHKQCQ-IBGZPJMESA-N 1 1 397.885 4.402 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000064641010 823856308 /nfs/dbraw/zinc/85/63/08/823856308.db2.gz XDMAWHTYGLUYGG-QHCPKHFHSA-N 1 1 391.515 4.180 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1cccnc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000165681058 823858479 /nfs/dbraw/zinc/85/84/79/823858479.db2.gz OHRWILVHLVMQAS-PBHICJAKSA-N 1 1 375.900 4.004 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000462184953 823858999 /nfs/dbraw/zinc/85/89/99/823858999.db2.gz CXMGDXPPMHIRPT-HNAYVOBHSA-N 1 1 395.890 4.245 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462189494 823861357 /nfs/dbraw/zinc/86/13/57/823861357.db2.gz KFAMWIGDLXKHGV-OAHLLOKOSA-N 1 1 397.466 4.064 20 0 GIADMO CCCCNC(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000462194898 823864173 /nfs/dbraw/zinc/86/41/73/823864173.db2.gz YXTOWWZRVUQDNU-FQEVSTJZSA-N 1 1 378.488 4.282 20 0 GIADMO C[C@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1cccc(N2CCCC2)c1 ZINC000126440347 823868016 /nfs/dbraw/zinc/86/80/16/823868016.db2.gz RTQXGGCHAIIGIT-HNNXBMFYSA-N 1 1 388.471 4.120 20 0 GIADMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccc3ccccc32)cc1 ZINC000165988162 823867983 /nfs/dbraw/zinc/86/79/83/823867983.db2.gz PUMVMOKTCYMYPE-JOCHJYFZSA-N 1 1 387.483 4.104 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000574947324 823868203 /nfs/dbraw/zinc/86/82/03/823868203.db2.gz XSTQUSBMSKPHCO-UHFFFAOYSA-N 1 1 378.476 4.327 20 0 GIADMO CCCOc1ccc(Oc2ncccc2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166211862 823872674 /nfs/dbraw/zinc/87/26/74/823872674.db2.gz LDAGCCPVAVBXKY-VQTJNVASSA-N 1 1 381.520 4.379 20 0 GIADMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000574962419 823873382 /nfs/dbraw/zinc/87/33/82/823873382.db2.gz RWTOSSHBOTWPLA-UGKGYDQZSA-N 1 1 378.516 4.271 20 0 GIADMO CSc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)ccc1Cl ZINC000413945676 823874275 /nfs/dbraw/zinc/87/42/75/823874275.db2.gz GICSHPGOSNTILJ-LJQANCHMSA-N 1 1 390.936 4.198 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccccc2OCc2cscn2)C1 ZINC000064735450 823875176 /nfs/dbraw/zinc/87/51/76/823875176.db2.gz CDWHAMMKBODUPN-ZIFCJYIRSA-N 1 1 399.560 4.200 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCc1cc(Cl)cc(Br)c1 ZINC000413949651 823875205 /nfs/dbraw/zinc/87/52/05/823875205.db2.gz ZBEUIZOWOHLLPP-UHFFFAOYSA-N 1 1 384.705 4.129 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000192139743 823876313 /nfs/dbraw/zinc/87/63/13/823876313.db2.gz OVVBSWITWJSVIV-WMZOPIPTSA-N 1 1 391.805 4.288 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(Br)nc1 ZINC000166419193 823877415 /nfs/dbraw/zinc/87/74/15/823877415.db2.gz IGWAQQJKUIQHMA-UHFFFAOYSA-N 1 1 391.313 4.006 20 0 GIADMO CC(C)c1nc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc(C(C)(C)C)n1 ZINC000574993165 823881519 /nfs/dbraw/zinc/88/15/19/823881519.db2.gz JNDVJSZUVJUCGZ-LAUBAEHRSA-N 1 1 398.599 4.150 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000166734678 823882259 /nfs/dbraw/zinc/88/22/59/823882259.db2.gz UJYCPTIHRBCWFN-DENIHFKCSA-N 1 1 381.495 4.105 20 0 GIADMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCSC(C)(C)CC2)o1 ZINC000574998738 823883234 /nfs/dbraw/zinc/88/32/34/823883234.db2.gz VONRLCBAFVVVDN-UHFFFAOYSA-N 1 1 384.505 4.418 20 0 GIADMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000575000123 823883796 /nfs/dbraw/zinc/88/37/96/823883796.db2.gz VKXMKJYDCQDQNL-OAQYLSRUSA-N 1 1 385.511 4.306 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@H]2CCOC2)c1 ZINC000167168537 823887504 /nfs/dbraw/zinc/88/75/04/823887504.db2.gz VGJKRIAYYJOSCM-ROUUACIJSA-N 1 1 385.504 4.278 20 0 GIADMO CCC(CC)[N@@H+](CCOC)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000064805774 823888592 /nfs/dbraw/zinc/88/85/92/823888592.db2.gz URYAOSSIKVGOMA-UHFFFAOYSA-N 1 1 380.838 4.434 20 0 GIADMO C[N@@H+](CCNC(=O)CCc1ccc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000064804810 823888680 /nfs/dbraw/zinc/88/86/80/823888680.db2.gz GXJWTZAQGQXHCT-UHFFFAOYSA-N 1 1 380.463 4.267 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cc21 ZINC000462247974 823896753 /nfs/dbraw/zinc/89/67/53/823896753.db2.gz PXBKVXXRLGJDCQ-UWJYYQICSA-N 1 1 391.519 4.259 20 0 GIADMO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167848284 823896896 /nfs/dbraw/zinc/89/68/96/823896896.db2.gz OIFHDCVDWVFHIA-HOTGVXAUSA-N 1 1 388.943 4.171 20 0 GIADMO CCN(C(=O)CCc1c(C)noc1Cl)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000126553783 823897272 /nfs/dbraw/zinc/89/72/72/823897272.db2.gz UOIUIYXGGMTDJH-FUHWJXTLSA-N 1 1 389.927 4.253 20 0 GIADMO CCCN1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000167899306 823897624 /nfs/dbraw/zinc/89/76/24/823897624.db2.gz DIAAHONJUHCUNZ-UHFFFAOYSA-N 1 1 384.395 4.422 20 0 GIADMO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000167989877 823898685 /nfs/dbraw/zinc/89/86/85/823898685.db2.gz MSMRGPDQTWFABS-CZUORRHYSA-N 1 1 382.537 4.414 20 0 GIADMO CCC(=O)Nc1ccccc1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000462253123 823899899 /nfs/dbraw/zinc/89/98/99/823899899.db2.gz GQVBHYASCBFOHM-GOSISDBHSA-N 1 1 385.552 4.152 20 0 GIADMO Cc1nnc(-c2ccccc2C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000126567278 823900579 /nfs/dbraw/zinc/90/05/79/823900579.db2.gz SYLQJNFPRUDPLX-AWEZNQCLSA-N 1 1 387.443 4.030 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1csc(-c2ccccc2)n1 ZINC000414075522 823902280 /nfs/dbraw/zinc/90/22/80/823902280.db2.gz PBJSLMOAZZILGS-SJORKVTESA-N 1 1 394.544 4.281 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCC3)ccc1OCc1ccncc1 ZINC000414075703 823902608 /nfs/dbraw/zinc/90/26/08/823902608.db2.gz PJTLHTTUQINCOB-IRXDYDNUSA-N 1 1 392.503 4.224 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1csc(-c2ccccc2)n1 ZINC000414083394 823905025 /nfs/dbraw/zinc/90/50/25/823905025.db2.gz WDJUAZIZIZNZSQ-OAHLLOKOSA-N 1 1 386.542 4.206 20 0 GIADMO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)s1 ZINC000414084561 823905575 /nfs/dbraw/zinc/90/55/75/823905575.db2.gz XWKHVHHODBEYCH-CVEARBPZSA-N 1 1 387.549 4.155 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2CCc3cc(Cl)ccc3C2)cc1)[NH+]1CCOCC1 ZINC000192218328 823906699 /nfs/dbraw/zinc/90/66/99/823906699.db2.gz XJHYWVGLORHWAB-INIZCTEOSA-N 1 1 399.922 4.323 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000064895190 823907100 /nfs/dbraw/zinc/90/71/00/823907100.db2.gz GJMZRSKUGPMJMJ-OKILXGFUSA-N 1 1 385.524 4.331 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1csc(-c2ccccc2)n1 ZINC000414100425 823909568 /nfs/dbraw/zinc/90/95/68/823909568.db2.gz LHNUYTYAPDJRHA-TZMCWYRMSA-N 1 1 383.439 4.014 20 0 GIADMO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414102306 823910168 /nfs/dbraw/zinc/91/01/68/823910168.db2.gz XJONDWDEQPSVQQ-AGOPTVSRSA-N 1 1 376.972 4.334 20 0 GIADMO Cc1cc(CNC(=O)N(Cc2ccccc2C)C2CC2)cc(N2CCCC2)[nH+]1 ZINC000462283158 823911902 /nfs/dbraw/zinc/91/19/02/823911902.db2.gz YYEIBKHEXYCCDE-UHFFFAOYSA-N 1 1 378.520 4.173 20 0 GIADMO C[C@@H]1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000575103348 823913426 /nfs/dbraw/zinc/91/34/26/823913426.db2.gz UKWSHAMONRRKDX-HLAWJBBLSA-N 1 1 384.564 4.046 20 0 GIADMO CC(C)Cn1ncc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C(C)C ZINC000462288363 823913423 /nfs/dbraw/zinc/91/34/23/823913423.db2.gz ULIXYTYHEWDDHD-RXVVDRJESA-N 1 1 397.567 4.305 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1csc(-c2ccccc2)n1 ZINC000414119466 823913829 /nfs/dbraw/zinc/91/38/29/823913829.db2.gz WMLKWYWGSZRZGB-HNNXBMFYSA-N 1 1 386.542 4.206 20 0 GIADMO C[NH+](C)[C@H](C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccccc1 ZINC000170627372 823921452 /nfs/dbraw/zinc/92/14/52/823921452.db2.gz SWXYMAGXPUUZTQ-QHCPKHFHSA-N 1 1 399.494 4.131 20 0 GIADMO COc1cc(OC)cc(Oc2cccc(C[NH2+][C@H](C)c3cc4n(n3)CCC4)c2)c1 ZINC000414167049 823921726 /nfs/dbraw/zinc/92/17/26/823921726.db2.gz RZVFTYRPOYLPMU-MRXNPFEDSA-N 1 1 393.487 4.490 20 0 GIADMO Cc1cc([C@@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)no1 ZINC000414169237 823922165 /nfs/dbraw/zinc/92/21/65/823922165.db2.gz AXYFHMPOSSQBNK-FRGLQRNOSA-N 1 1 379.479 4.441 20 0 GIADMO Cc1cc([C@@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)no1 ZINC000414169237 823922172 /nfs/dbraw/zinc/92/21/72/823922172.db2.gz AXYFHMPOSSQBNK-FRGLQRNOSA-N 1 1 379.479 4.441 20 0 GIADMO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462316623 823922434 /nfs/dbraw/zinc/92/24/34/823922434.db2.gz PFYIWBZVBNEBHO-QGZVFWFLSA-N 1 1 381.398 4.002 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc(OC)c1 ZINC000126678837 823925475 /nfs/dbraw/zinc/92/54/75/823925475.db2.gz NSLGLTNKWDQKRB-JTSKRJEESA-N 1 1 385.527 4.388 20 0 GIADMO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000462328378 823926312 /nfs/dbraw/zinc/92/63/12/823926312.db2.gz TVJQMPVASCPAJA-IEBWSBKVSA-N 1 1 392.590 4.035 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)c1ccn(C)n1 ZINC000414197505 823926731 /nfs/dbraw/zinc/92/67/31/823926731.db2.gz WOFJGARUJFQTIV-IRXDYDNUSA-N 1 1 375.476 4.059 20 0 GIADMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(C)c(OCc5ccccn5)c(C)c4)[C@H]1[C@H]3C2 ZINC000575164148 823928263 /nfs/dbraw/zinc/92/82/63/823928263.db2.gz WPOKYKOIFBTZPP-LPVXIZACSA-N 1 1 378.516 4.133 20 0 GIADMO Clc1c(Br)cccc1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000414207022 823928417 /nfs/dbraw/zinc/92/84/17/823928417.db2.gz GNPYAXSIVZHGBZ-UHFFFAOYSA-N 1 1 394.744 4.252 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)c1 ZINC000414207537 823928604 /nfs/dbraw/zinc/92/86/04/823928604.db2.gz HHXAZCAOJPEUTI-GOSISDBHSA-N 1 1 384.904 4.155 20 0 GIADMO CC[C@@H]1C[N@@H+](CCCc2ccncc2)[C@H](CC)CN1CCCc1ccncc1 ZINC000462334381 823928700 /nfs/dbraw/zinc/92/87/00/823928700.db2.gz JMDZIVKVOXOSDZ-DNQXCXABSA-N 1 1 380.580 4.217 20 0 GIADMO CCOc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000126708504 823932371 /nfs/dbraw/zinc/93/23/71/823932371.db2.gz XJXOZWQNZLYTDX-ZWKOTPCHSA-N 1 1 385.527 4.388 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)NC(=O)N2CCC[N@H+](C(C)C)CC2)cc1 ZINC000462347391 823934971 /nfs/dbraw/zinc/93/49/71/823934971.db2.gz IAKNFWQLOSNZBR-QHCPKHFHSA-N 1 1 395.547 4.105 20 0 GIADMO CC(=O)c1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000575193220 823935112 /nfs/dbraw/zinc/93/51/12/823935112.db2.gz AXTIJGYGWGYLMU-YLJYHZDGSA-N 1 1 379.504 4.230 20 0 GIADMO O=C(c1cccnc1Sc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126720877 823935627 /nfs/dbraw/zinc/93/56/27/823935627.db2.gz RWJMMDNJUOUXJQ-LAUBAEHRSA-N 1 1 393.556 4.322 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000414235212 823935786 /nfs/dbraw/zinc/93/57/86/823935786.db2.gz GVTALJPQIYXPEK-KRWDZBQOSA-N 1 1 394.334 4.020 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000170682815 823937414 /nfs/dbraw/zinc/93/74/14/823937414.db2.gz ZOSLCVBEVZPSBZ-NRFANRHFSA-N 1 1 399.560 4.036 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000192299050 823939176 /nfs/dbraw/zinc/93/91/76/823939176.db2.gz YXWKXCKEWMOULM-RDJZCZTQSA-N 1 1 379.291 4.143 20 0 GIADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2)CC1 ZINC000065088618 823939890 /nfs/dbraw/zinc/93/98/90/823939890.db2.gz TXAUKVVTRMSXIR-JOCHJYFZSA-N 1 1 397.950 4.065 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1cnc(C)n1-c1ccccc1)Cc1ccncc1 ZINC000575218614 823942857 /nfs/dbraw/zinc/94/28/57/823942857.db2.gz HICPUTLHQFDLRH-QHCPKHFHSA-N 1 1 389.547 4.062 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)[C@H](C)C1 ZINC000192334264 823949569 /nfs/dbraw/zinc/94/95/69/823949569.db2.gz NOPMDXHKVZTLCO-YLJYHZDGSA-N 1 1 383.540 4.190 20 0 GIADMO CC[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311330 823951811 /nfs/dbraw/zinc/95/18/11/823951811.db2.gz BFMXEUMIIYQNQR-LEWJYISDSA-N 1 1 393.579 4.242 20 0 GIADMO O=C(C[N@H+](Cc1ccccc1)CC1CCC1)Nc1ccc2c(c1)OCCCO2 ZINC000065161425 823954526 /nfs/dbraw/zinc/95/45/26/823954526.db2.gz GIXRFSHWUJPQIC-UHFFFAOYSA-N 1 1 380.488 4.089 20 0 GIADMO Cc1ccc(C[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)C)s1 ZINC000065161859 823955090 /nfs/dbraw/zinc/95/50/90/823955090.db2.gz YUNRUXIDHQJEBF-UHFFFAOYSA-N 1 1 381.545 4.333 20 0 GIADMO COc1ccc2c(c1)C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000065162874 823955823 /nfs/dbraw/zinc/95/58/23/823955823.db2.gz JRLOVBCPFQIIQE-UHFFFAOYSA-N 1 1 379.287 4.389 20 0 GIADMO CCc1ncc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355555 823963959 /nfs/dbraw/zinc/96/39/59/823963959.db2.gz AHVVQBZATAWQON-FXAWDEMLSA-N 1 1 392.469 4.231 20 0 GIADMO CCc1ncc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355555 823963966 /nfs/dbraw/zinc/96/39/66/823963966.db2.gz AHVVQBZATAWQON-FXAWDEMLSA-N 1 1 392.469 4.231 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CSC[C@@H]2CCCCO2)cc1 ZINC000170760367 823964309 /nfs/dbraw/zinc/96/43/09/823964309.db2.gz NVTMHHXDHJXRLY-XLIONFOSSA-N 1 1 376.566 4.302 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccccc1Sc1ccccc1)C2 ZINC000575372413 823964697 /nfs/dbraw/zinc/96/46/97/823964697.db2.gz JWRJYAVSHFBXOE-KRWDZBQOSA-N 1 1 377.513 4.222 20 0 GIADMO C[N@@H+](Cc1ccccc1NCc1ccc(S(C)(=O)=O)o1)C1CCCCC1 ZINC000414359626 823964973 /nfs/dbraw/zinc/96/49/73/823964973.db2.gz KOUYZFZXKVLACM-UHFFFAOYSA-N 1 1 376.522 4.060 20 0 GIADMO COc1ccc(Br)cc1-c1nc(C[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC000170766541 823965633 /nfs/dbraw/zinc/96/56/33/823965633.db2.gz CPXQATQIBVKTIK-LBPRGKRZSA-N 1 1 397.338 4.192 20 0 GIADMO COc1ccc(Br)cc1-c1nc(C[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC000170766541 823965639 /nfs/dbraw/zinc/96/56/39/823965639.db2.gz CPXQATQIBVKTIK-LBPRGKRZSA-N 1 1 397.338 4.192 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC1 ZINC000575409292 823967878 /nfs/dbraw/zinc/96/78/78/823967878.db2.gz GGHBIDQGHXZIMH-HNNXBMFYSA-N 1 1 395.890 4.470 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000192389387 823968459 /nfs/dbraw/zinc/96/84/59/823968459.db2.gz BLEGPQZHTLYGQN-HNNXBMFYSA-N 1 1 375.513 4.044 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000192389387 823968463 /nfs/dbraw/zinc/96/84/63/823968463.db2.gz BLEGPQZHTLYGQN-HNNXBMFYSA-N 1 1 375.513 4.044 20 0 GIADMO CC(C)n1c(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)nc2ccccc21 ZINC000575427866 823969784 /nfs/dbraw/zinc/96/97/84/823969784.db2.gz DOYWNGCCNKPWAE-FQEVSTJZSA-N 1 1 384.911 4.190 20 0 GIADMO CCC1(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000575435617 823970844 /nfs/dbraw/zinc/97/08/44/823970844.db2.gz XNFDTEZPLWJRCK-UHFFFAOYSA-N 1 1 380.532 4.012 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000575444340 823972064 /nfs/dbraw/zinc/97/20/64/823972064.db2.gz WVSVASWCGADKRN-VFCRVFHLSA-N 1 1 395.528 4.370 20 0 GIADMO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000575455757 823972702 /nfs/dbraw/zinc/97/27/02/823972702.db2.gz NHROHBMJAWRBGR-HZZDSMARSA-N 1 1 375.900 4.168 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2OCCC3)[C@@H]1c1cccs1 ZINC000575636408 823981817 /nfs/dbraw/zinc/98/18/17/823981817.db2.gz NUQUAUANZPITTM-VQIMIIECSA-N 1 1 385.533 4.278 20 0 GIADMO CC(C)C[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)[C@@H]1CCCc2cccnc21 ZINC000126928675 823983426 /nfs/dbraw/zinc/98/34/26/823983426.db2.gz ZLJREGOSDTZICD-NHCUHLMSSA-N 1 1 393.531 4.057 20 0 GIADMO CS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)s1 ZINC000414434627 823984773 /nfs/dbraw/zinc/98/47/73/823984773.db2.gz PTVMRFRJCAKWIJ-IPMKNSEASA-N 1 1 375.559 4.310 20 0 GIADMO CS(=O)(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)s1 ZINC000414434627 823984784 /nfs/dbraw/zinc/98/47/84/823984784.db2.gz PTVMRFRJCAKWIJ-IPMKNSEASA-N 1 1 375.559 4.310 20 0 GIADMO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000170834612 823985356 /nfs/dbraw/zinc/98/53/56/823985356.db2.gz RCTFUNMZQJEVCJ-ZDUSSCGKSA-N 1 1 388.414 4.105 20 0 GIADMO Cc1ccc(-n2cc(C[N@H+]3CC[C@H](O)[C@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000575756466 823987262 /nfs/dbraw/zinc/98/72/62/823987262.db2.gz JCTJBPMVQWPPSH-VGSWGCGISA-N 1 1 379.479 4.190 20 0 GIADMO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(c3nccs3)C3CCCCC3)C2)c1 ZINC000575759529 823988104 /nfs/dbraw/zinc/98/81/04/823988104.db2.gz UUHDHEFGADATRM-ROUUACIJSA-N 1 1 398.576 4.390 20 0 GIADMO Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)C(=O)N(c3nccs3)C3CCCCC3)C2)c1 ZINC000575759529 823988111 /nfs/dbraw/zinc/98/81/11/823988111.db2.gz UUHDHEFGADATRM-ROUUACIJSA-N 1 1 398.576 4.390 20 0 GIADMO COc1ccc(-c2nc(Cc3noc([C@@H]([NH3+])CC4CCCCC4)n3)co2)cc1 ZINC000414486703 823993730 /nfs/dbraw/zinc/99/37/30/823993730.db2.gz UCHNTYGYMXXPGT-SFHVURJKSA-N 1 1 382.464 4.294 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccccc2OCC(C)C)c1 ZINC000414491683 823994335 /nfs/dbraw/zinc/99/43/35/823994335.db2.gz CUZRLCKFAMIWRY-UHFFFAOYSA-N 1 1 395.952 4.458 20 0 GIADMO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000170871187 823995646 /nfs/dbraw/zinc/99/56/46/823995646.db2.gz PMYFEMVQADETHX-KSSFIOAISA-N 1 1 378.563 4.224 20 0 GIADMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000170871187 823995649 /nfs/dbraw/zinc/99/56/49/823995649.db2.gz PMYFEMVQADETHX-KSSFIOAISA-N 1 1 378.563 4.224 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000170872162 823996402 /nfs/dbraw/zinc/99/64/02/823996402.db2.gz YNRIOUOAMSZNLV-CQSZACIVSA-N 1 1 391.512 4.296 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000170872162 823996407 /nfs/dbraw/zinc/99/64/07/823996407.db2.gz YNRIOUOAMSZNLV-CQSZACIVSA-N 1 1 391.512 4.296 20 0 GIADMO CC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000170872987 823996439 /nfs/dbraw/zinc/99/64/39/823996439.db2.gz SNTGPJYRAJNQGL-UHFFFAOYSA-N 1 1 381.339 4.235 20 0 GIADMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3Br)s2)C1 ZINC000414504557 823996903 /nfs/dbraw/zinc/99/69/03/823996903.db2.gz YIKSNZXKNIVNTI-CYBMUJFWSA-N 1 1 393.350 4.088 20 0 GIADMO Cc1ncsc1-c1nc(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000575802236 824000025 /nfs/dbraw/zinc/00/00/25/824000025.db2.gz FHECLVHFROPAMV-INIZCTEOSA-N 1 1 386.546 4.399 20 0 GIADMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC000414522867 824001287 /nfs/dbraw/zinc/00/12/87/824001287.db2.gz HDYCQAJZHRSWJU-DYVFJYSZSA-N 1 1 393.314 4.448 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(Cc2cccnc2)C2CC2)cc1 ZINC000170890381 824001523 /nfs/dbraw/zinc/00/15/23/824001523.db2.gz WHSFPUTWARNABG-LJQANCHMSA-N 1 1 392.547 4.330 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cc(-c3ccsc3)nn2C)C1 ZINC000575809287 824001646 /nfs/dbraw/zinc/00/16/46/824001646.db2.gz MZDZUPZWBZNKFV-QAPCUYQASA-N 1 1 395.532 4.106 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192465849 824001705 /nfs/dbraw/zinc/00/17/05/824001705.db2.gz LMLRAIPPYFYGMM-OAQYLSRUSA-N 1 1 398.478 4.146 20 0 GIADMO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000575821791 824003326 /nfs/dbraw/zinc/00/33/26/824003326.db2.gz ICIBAFUDSBCYFX-LBPRGKRZSA-N 1 1 382.291 4.028 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCC(=O)c1csc2ccccc12 ZINC000127034217 824004392 /nfs/dbraw/zinc/00/43/92/824004392.db2.gz RGBPCAPBUFCWHS-INIZCTEOSA-N 1 1 381.501 4.060 20 0 GIADMO CN(C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1)C(=O)OC(C)(C)C ZINC000170918049 824004961 /nfs/dbraw/zinc/00/49/61/824004961.db2.gz DCHBPAXJSILTJB-OAHLLOKOSA-N 1 1 389.471 4.170 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1)C(=O)OC(C)(C)C ZINC000170918049 824004968 /nfs/dbraw/zinc/00/49/68/824004968.db2.gz DCHBPAXJSILTJB-OAHLLOKOSA-N 1 1 389.471 4.170 20 0 GIADMO CCCCNC(=O)c1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000192474941 824005527 /nfs/dbraw/zinc/00/55/27/824005527.db2.gz QCSPCIAKHJNVLS-UHFFFAOYSA-N 1 1 393.300 4.408 20 0 GIADMO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000127050940 824007649 /nfs/dbraw/zinc/00/76/49/824007649.db2.gz ZFWRTNGQBFWQDD-MOPGFXCFSA-N 1 1 380.536 4.216 20 0 GIADMO COCCOCc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000414550011 824009107 /nfs/dbraw/zinc/00/91/07/824009107.db2.gz IRXKPMQABICBKR-HSZRJFAPSA-N 1 1 381.516 4.203 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1scnc1C1CC1)C(C)C ZINC000414551025 824009697 /nfs/dbraw/zinc/00/96/97/824009697.db2.gz JLCBQRUSDMJBMD-INIZCTEOSA-N 1 1 392.590 4.393 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000414551123 824009876 /nfs/dbraw/zinc/00/98/76/824009876.db2.gz AWVDQLQSISJFJD-RDJZCZTQSA-N 1 1 380.554 4.329 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)cc1 ZINC000127072097 824011430 /nfs/dbraw/zinc/01/14/30/824011430.db2.gz RUKKPGYOANAKMK-NRFANRHFSA-N 1 1 379.504 4.258 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)cc1 ZINC000127072097 824011436 /nfs/dbraw/zinc/01/14/36/824011436.db2.gz RUKKPGYOANAKMK-NRFANRHFSA-N 1 1 379.504 4.258 20 0 GIADMO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(OC)c1OC ZINC000414559143 824012584 /nfs/dbraw/zinc/01/25/84/824012584.db2.gz PGWJJEWGFVLYIQ-JOCHJYFZSA-N 1 1 383.488 4.066 20 0 GIADMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(OC)c1OC ZINC000414559143 824012588 /nfs/dbraw/zinc/01/25/88/824012588.db2.gz PGWJJEWGFVLYIQ-JOCHJYFZSA-N 1 1 383.488 4.066 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(-c3ccco3)cc2F)CC1 ZINC000575869207 824016586 /nfs/dbraw/zinc/01/65/86/824016586.db2.gz NNRWRLMZARTYHO-UHFFFAOYSA-N 1 1 387.499 4.348 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccccc1-n1cccn1 ZINC000127125305 824022302 /nfs/dbraw/zinc/02/23/02/824022302.db2.gz WPDIFCQIYOOQSF-UHFFFAOYSA-N 1 1 395.869 4.449 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)cc(OC)c1OCC(F)F ZINC000575907064 824025936 /nfs/dbraw/zinc/02/59/36/824025936.db2.gz WBEVOXPCUWLNFM-GOSISDBHSA-N 1 1 391.458 4.337 20 0 GIADMO CCCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2Br)CC1 ZINC000170989436 824029016 /nfs/dbraw/zinc/02/90/16/824029016.db2.gz KCIFJTQLSGTAGC-HNNXBMFYSA-N 1 1 386.330 4.247 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc(-c2csc(C)n2)s1 ZINC000575916103 824029070 /nfs/dbraw/zinc/02/90/70/824029070.db2.gz PSUGDKXVJXHEBU-ZDUSSCGKSA-N 1 1 380.583 4.100 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000170988399 824029199 /nfs/dbraw/zinc/02/91/99/824029199.db2.gz JSDISTMTKNPWPC-OPAMFIHVSA-N 1 1 384.495 4.161 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000170988437 824029276 /nfs/dbraw/zinc/02/92/76/824029276.db2.gz NRZUUIPFJQISKT-HSZRJFAPSA-N 1 1 385.479 4.373 20 0 GIADMO Cn1cncc1C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1Br ZINC000575958970 824037775 /nfs/dbraw/zinc/03/77/75/824037775.db2.gz DDZKRUZNRXGGMV-IBGZPJMESA-N 1 1 388.284 4.395 20 0 GIADMO O=C(C1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1)N1CCCCC1 ZINC000171015731 824038230 /nfs/dbraw/zinc/03/82/30/824038230.db2.gz SGUBKNTZWLFLSH-UHFFFAOYSA-N 1 1 386.870 4.166 20 0 GIADMO Cc1ccccc1C1(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000171023570 824040614 /nfs/dbraw/zinc/04/06/14/824040614.db2.gz GWXVHMXJOQGPSO-UHFFFAOYSA-N 1 1 384.470 4.086 20 0 GIADMO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000171026753 824041672 /nfs/dbraw/zinc/04/16/72/824041672.db2.gz JJUWUTDQCQPWLB-AVRDEDQJSA-N 1 1 393.531 4.251 20 0 GIADMO Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000171026750 824041717 /nfs/dbraw/zinc/04/17/17/824041717.db2.gz JJUWUTDQCQPWLB-PGRDOPGGSA-N 1 1 393.531 4.251 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+](CC)Cc2cccs2)c1 ZINC000192614247 824046407 /nfs/dbraw/zinc/04/64/07/824046407.db2.gz APRYAUGJVLGDRD-INIZCTEOSA-N 1 1 387.549 4.079 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](CC)Cc2cccs2)c1 ZINC000192614247 824046413 /nfs/dbraw/zinc/04/64/13/824046413.db2.gz APRYAUGJVLGDRD-INIZCTEOSA-N 1 1 387.549 4.079 20 0 GIADMO CC(=O)c1cc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)ccc1C ZINC000576012610 824049866 /nfs/dbraw/zinc/04/98/66/824049866.db2.gz YPSIMUBHXPYPFM-OAQYLSRUSA-N 1 1 376.456 4.052 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccncc1 ZINC000171058230 824050613 /nfs/dbraw/zinc/05/06/13/824050613.db2.gz UDSVOERPDYFIEQ-UHFFFAOYSA-N 1 1 378.476 4.020 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@@H]2CCCc3cc(N)ccc32)c(OC)c1 ZINC000414934853 824051681 /nfs/dbraw/zinc/05/16/81/824051681.db2.gz TZCQAQPGRZUYSP-GOSISDBHSA-N 1 1 391.309 4.216 20 0 GIADMO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](CN)c1ccc2ccccc2c1 ZINC000414936800 824051980 /nfs/dbraw/zinc/05/19/80/824051980.db2.gz HAMFSUJETSMXDQ-UZUQRXQVSA-N 1 1 375.516 4.409 20 0 GIADMO O=C([C@@H]1CCCc2cccnc21)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000192639242 824053358 /nfs/dbraw/zinc/05/33/58/824053358.db2.gz GMQCSYZWVPPECQ-ZLNRFVROSA-N 1 1 389.543 4.015 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](CC(F)(F)F)C1 ZINC000576039384 824055943 /nfs/dbraw/zinc/05/59/43/824055943.db2.gz VREAUIGFRFJSQM-RTBURBONSA-N 1 1 397.485 4.273 20 0 GIADMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000071958735 205299981 /nfs/dbraw/zinc/29/99/81/205299981.db2.gz MGRMNNVIMORVNF-LLVKDONJSA-N 1 1 382.689 4.129 20 0 GIADMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000071958735 205299985 /nfs/dbraw/zinc/29/99/85/205299985.db2.gz MGRMNNVIMORVNF-LLVKDONJSA-N 1 1 382.689 4.129 20 0 GIADMO CCc1c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)[nH]c(C)c1C(C)=O ZINC000071959563 205301084 /nfs/dbraw/zinc/30/10/84/205301084.db2.gz LHDYLKBDTHSQER-MRXNPFEDSA-N 1 1 395.547 4.250 20 0 GIADMO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000070006922 205278142 /nfs/dbraw/zinc/27/81/42/205278142.db2.gz GVAKWTORFOZYAV-JKIFEVAISA-N 1 1 390.911 4.108 20 0 GIADMO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000070006922 205278144 /nfs/dbraw/zinc/27/81/44/205278144.db2.gz GVAKWTORFOZYAV-JKIFEVAISA-N 1 1 390.911 4.108 20 0 GIADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)C2 ZINC001164441147 718990411 /nfs/dbraw/zinc/99/04/11/718990411.db2.gz WIUIIQRVMXRJHI-UHFFFAOYSA-N 1 1 384.217 4.007 20 0 GIADMO Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(Cl)n1 ZINC001164629920 719071285 /nfs/dbraw/zinc/07/12/85/719071285.db2.gz ZYGVZAHCVKWQOX-SJORKVTESA-N 1 1 392.881 4.084 20 0 GIADMO Clc1ncnc2scc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164626520 719072247 /nfs/dbraw/zinc/07/22/47/719072247.db2.gz OFAMUSDOILYRPV-CVEARBPZSA-N 1 1 384.936 4.446 20 0 GIADMO Clc1ccnc2cc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ncc12 ZINC001164629520 719075593 /nfs/dbraw/zinc/07/55/93/719075593.db2.gz XUFZTVFASUCXHV-UTKZUKDTSA-N 1 1 378.907 4.384 20 0 GIADMO Cc1nc2c(nc(Cl)nc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164622806 719081341 /nfs/dbraw/zinc/08/13/41/719081341.db2.gz IUWJXSDGZHTWMW-JKSUJKDBSA-N 1 1 399.951 4.149 20 0 GIADMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164638857 719205656 /nfs/dbraw/zinc/20/56/56/719205656.db2.gz PRDSPTWHEQBNSN-UWVGGRQHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164638857 719205658 /nfs/dbraw/zinc/20/56/58/719205658.db2.gz PRDSPTWHEQBNSN-UWVGGRQHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164638856 719206685 /nfs/dbraw/zinc/20/66/85/719206685.db2.gz PRDSPTWHEQBNSN-NXEZZACHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164638856 719206690 /nfs/dbraw/zinc/20/66/90/719206690.db2.gz PRDSPTWHEQBNSN-NXEZZACHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164632263 719233438 /nfs/dbraw/zinc/23/34/38/719233438.db2.gz ARTYKPRPSJRHBV-GJZGRUSLSA-N 1 1 393.560 4.161 20 0 GIADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H](C)[N@@H+](C)C[C@H]3C)c(Cl)nn2)c1 ZINC001164631278 719257130 /nfs/dbraw/zinc/25/71/30/719257130.db2.gz CRBVZYIJFXGZSC-UONOGXRCSA-N 1 1 380.870 4.179 20 0 GIADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H](C)[N@H+](C)C[C@H]3C)c(Cl)nn2)c1 ZINC001164631278 719257132 /nfs/dbraw/zinc/25/71/32/719257132.db2.gz CRBVZYIJFXGZSC-UONOGXRCSA-N 1 1 380.870 4.179 20 0 GIADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H](C)[N@@H+](C)C[C@H]3C)c(Cl)nn2)c1 ZINC001164631280 719257630 /nfs/dbraw/zinc/25/76/30/719257630.db2.gz CRBVZYIJFXGZSC-ZIAGYGMSSA-N 1 1 380.870 4.179 20 0 GIADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@@H](C)[N@H+](C)C[C@H]3C)c(Cl)nn2)c1 ZINC001164631280 719257635 /nfs/dbraw/zinc/25/76/35/719257635.db2.gz CRBVZYIJFXGZSC-ZIAGYGMSSA-N 1 1 380.870 4.179 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(OC(C)C)ccn2)CC3)cs1 ZINC001164693106 719809848 /nfs/dbraw/zinc/80/98/48/719809848.db2.gz QHCDTQVXCHQVGI-UHFFFAOYSA-N 1 1 386.565 4.269 20 0 GIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(OC(C)C)ccn2)CC3)cs1 ZINC001164693106 719809849 /nfs/dbraw/zinc/80/98/49/719809849.db2.gz QHCDTQVXCHQVGI-UHFFFAOYSA-N 1 1 386.565 4.269 20 0 GIADMO Cc1nc(CN2CCCC23CCN(c2cc(OC(C)C)cc[nH+]2)CC3)cs1 ZINC001164693106 719809853 /nfs/dbraw/zinc/80/98/53/719809853.db2.gz QHCDTQVXCHQVGI-UHFFFAOYSA-N 1 1 386.565 4.269 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(F)c4cc[nH]c42)CC3)cs1 ZINC001164691263 719811770 /nfs/dbraw/zinc/81/17/70/719811770.db2.gz CBYAGEUCWQBLJQ-UHFFFAOYSA-N 1 1 385.512 4.102 20 0 GIADMO Cc1cccc2c1ccnc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697724 719892648 /nfs/dbraw/zinc/89/26/48/719892648.db2.gz OKOBFEHKZCTQCU-UHFFFAOYSA-N 1 1 393.556 4.476 20 0 GIADMO Fc1ccc2ccnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164699289 719892986 /nfs/dbraw/zinc/89/29/86/719892986.db2.gz ZAOFIBZEUWLWBE-UHFFFAOYSA-N 1 1 397.519 4.307 20 0 GIADMO Fc1cccc2c1ccnc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698414 719893338 /nfs/dbraw/zinc/89/33/38/719893338.db2.gz SOMSOCRTXZNFHG-UHFFFAOYSA-N 1 1 397.519 4.307 20 0 GIADMO Cc1nc(Cl)cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1C ZINC001164697740 719893387 /nfs/dbraw/zinc/89/33/87/719893387.db2.gz PAOSZGIKWBHGQH-UHFFFAOYSA-N 1 1 391.968 4.285 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3cc1Cl)C2 ZINC001164814310 720100730 /nfs/dbraw/zinc/10/07/30/720100730.db2.gz WMGPJXUIAZOIII-XMSQKQJNSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164811132 720139762 /nfs/dbraw/zinc/13/97/62/720139762.db2.gz LOJBYDJLJKLDKU-XMSQKQJNSA-N 1 1 385.939 4.073 20 0 GIADMO Clc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)cc1 ZINC001164727686 720345452 /nfs/dbraw/zinc/34/54/52/720345452.db2.gz UFSWJNTURBKRSK-LEWJYISDSA-N 1 1 391.906 4.045 20 0 GIADMO Clc1cc(-c2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2)ccn1 ZINC001164729899 720354411 /nfs/dbraw/zinc/35/44/11/720354411.db2.gz YUQIDGSOKZBGCA-VQTJNVASSA-N 1 1 391.906 4.045 20 0 GIADMO Fc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164724188 720358255 /nfs/dbraw/zinc/35/82/55/720358255.db2.gz JSVRGIALJZRIQN-RTBURBONSA-N 1 1 382.870 4.276 20 0 GIADMO Cc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164722483 720364580 /nfs/dbraw/zinc/36/45/80/720364580.db2.gz CUOHMAMZPZRVNF-UXHICEINSA-N 1 1 378.907 4.445 20 0 GIADMO Clc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(-c2ccccc2)nn1 ZINC001164730290 720385622 /nfs/dbraw/zinc/38/56/22/720385622.db2.gz WMMLFOQYUAGXQR-RBUKOAKNSA-N 1 1 391.906 4.045 20 0 GIADMO Clc1ccccc1-c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164728311 720409615 /nfs/dbraw/zinc/40/96/15/720409615.db2.gz SXCRSTQOYVSJEO-SFTDATJTSA-N 1 1 391.906 4.045 20 0 GIADMO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc2c(Cl)cccc12 ZINC001164726399 720416302 /nfs/dbraw/zinc/41/63/02/720416302.db2.gz BVYGNQBMEJJMCC-UXHICEINSA-N 1 1 378.907 4.445 20 0 GIADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735079 720450904 /nfs/dbraw/zinc/45/09/04/720450904.db2.gz VSVMASNQPBHMKA-PKTZIBPZSA-N 1 1 399.542 4.083 20 0 GIADMO CC(C)c1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc(C(C)(C)C)n1 ZINC001164729322 720456240 /nfs/dbraw/zinc/45/62/40/720456240.db2.gz GYOCSDGEVYTWOO-OALUTQOASA-N 1 1 379.552 4.146 20 0 GIADMO Clc1cc(C2CCCCC2)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724449 720475321 /nfs/dbraw/zinc/47/53/21/720475321.db2.gz GHFBZQGHIKIJNK-VQTJNVASSA-N 1 1 397.954 4.426 20 0 GIADMO Fc1cccc2c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164728241 720477836 /nfs/dbraw/zinc/47/78/36/720477836.db2.gz OOQPZAORGZZQBH-ROUUACIJSA-N 1 1 382.870 4.276 20 0 GIADMO Cc1cccc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843157 720627405 /nfs/dbraw/zinc/62/74/05/720627405.db2.gz WZTABGTZKNPRJZ-BHIFYINESA-N 1 1 389.547 4.118 20 0 GIADMO Cc1ccc(Cl)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841154 720673431 /nfs/dbraw/zinc/67/34/31/720673431.db2.gz PKSHQIZXYHJZDJ-LJQANCHMSA-N 1 1 385.939 4.303 20 0 GIADMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)C)n1 ZINC001164837647 720712226 /nfs/dbraw/zinc/71/22/26/720712226.db2.gz FNWFDQIJLVGZCN-NRFANRHFSA-N 1 1 394.563 4.168 20 0 GIADMO CCSc1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842315 720725071 /nfs/dbraw/zinc/72/50/71/720725071.db2.gz YDYAZSFLVGYTMC-HXUWFJFHSA-N 1 1 397.588 4.454 20 0 GIADMO Cc1cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc(Cl)n1 ZINC001164859939 720924301 /nfs/dbraw/zinc/92/43/01/720924301.db2.gz QOFCHVSJSYBKDJ-CQSZACIVSA-N 1 1 397.901 4.206 20 0 GIADMO Cc1ccc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c(Cl)nc2c1 ZINC001164860479 720954856 /nfs/dbraw/zinc/95/48/56/720954856.db2.gz QBEIDGHVTLIKHI-OAHLLOKOSA-N 1 1 398.942 4.210 20 0 GIADMO Cc1ccc(Cl)nc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856351 720978227 /nfs/dbraw/zinc/97/82/27/720978227.db2.gz BRYMDHGMOWMLTE-CQSZACIVSA-N 1 1 397.901 4.206 20 0 GIADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(-c2cccs2)n1 ZINC001164864484 721009715 /nfs/dbraw/zinc/00/97/15/721009715.db2.gz XSXUZHPKGXTYNP-MRXNPFEDSA-N 1 1 396.564 4.131 20 0 GIADMO c1ccc(Cc2nnc(N3CC4(C3)CC[N@H+](CC3CC3)C4)c3ccccc32)cc1 ZINC001164770510 721296916 /nfs/dbraw/zinc/29/69/16/721296916.db2.gz SSGDDWFRYBKXBM-UHFFFAOYSA-N 1 1 384.527 4.143 20 0 GIADMO CCc1cccc(Oc2nc(Cl)ncc2N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164775054 721302553 /nfs/dbraw/zinc/30/25/53/721302553.db2.gz NLXXINKKAHFTCR-UHFFFAOYSA-N 1 1 398.938 4.407 20 0 GIADMO Cc1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc2cc(Cl)ccc12 ZINC001164784083 721418098 /nfs/dbraw/zinc/41/80/98/721418098.db2.gz KJJDYFGGVLRRMN-HUUCEWRRSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1cccc2cc(Cl)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164785661 721435494 /nfs/dbraw/zinc/43/54/94/721435494.db2.gz NYTNKKKNIZFHPI-IYBDPMFKSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1cccc2cc(Cl)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164785661 721435500 /nfs/dbraw/zinc/43/55/00/721435500.db2.gz NYTNKKKNIZFHPI-IYBDPMFKSA-N 1 1 384.936 4.221 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3[nH]ccc31)CC2 ZINC001164793363 721491814 /nfs/dbraw/zinc/49/18/14/721491814.db2.gz QUADIYSRJFSNHA-UHFFFAOYSA-N 1 1 395.938 4.492 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(n1)CCCC3)CC2 ZINC001164791371 721493890 /nfs/dbraw/zinc/49/38/90/721493890.db2.gz BYPOXOJBDRMEMK-UHFFFAOYSA-N 1 1 376.548 4.236 20 0 GIADMO Cc1cc2ccncc2nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795018 721502047 /nfs/dbraw/zinc/50/20/47/721502047.db2.gz ANLQWTXXKZTASD-UHFFFAOYSA-N 1 1 387.531 4.214 20 0 GIADMO Cc1cccc2c1ccnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906941 721535144 /nfs/dbraw/zinc/53/51/44/721535144.db2.gz LZFYHBDCIOXAFY-ICSRJNTNSA-N 1 1 377.463 4.024 20 0 GIADMO Cc1cc2ccccc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903019 721545017 /nfs/dbraw/zinc/54/50/17/721545017.db2.gz BVBXAVPINILQOZ-PZJWPPBQSA-N 1 1 377.463 4.024 20 0 GIADMO Cc1cc2ccccc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903018 721545566 /nfs/dbraw/zinc/54/55/66/721545566.db2.gz BVBXAVPINILQOZ-FPOVZHCZSA-N 1 1 377.463 4.024 20 0 GIADMO Fc1cc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907488 721585286 /nfs/dbraw/zinc/58/52/86/721585286.db2.gz UIVMZSDUTWRCOS-SFHVURJKSA-N 1 1 396.844 4.007 20 0 GIADMO Cc1ccc(Cl)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904318 721692512 /nfs/dbraw/zinc/69/25/12/721692512.db2.gz FNHGHGJCABRRSH-LJQANCHMSA-N 1 1 392.881 4.176 20 0 GIADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164906587 721696050 /nfs/dbraw/zinc/69/60/50/721696050.db2.gz NNVNTNQJLPHBGU-LJQANCHMSA-N 1 1 392.881 4.176 20 0 GIADMO Cc1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1Cl ZINC001164906665 721700269 /nfs/dbraw/zinc/70/02/69/721700269.db2.gz OGCKRCYVKFLQPU-IBGZPJMESA-N 1 1 392.881 4.176 20 0 GIADMO CCCCc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncn1 ZINC001164912217 721763721 /nfs/dbraw/zinc/76/37/21/721763721.db2.gz VOKPNBSHGQAFTK-UHFFFAOYSA-N 1 1 391.519 4.002 20 0 GIADMO CCCCc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncn1 ZINC001164912217 721763724 /nfs/dbraw/zinc/76/37/24/721763724.db2.gz VOKPNBSHGQAFTK-UHFFFAOYSA-N 1 1 391.519 4.002 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccnc(-c4ccccc4)n3)C[C@@H]21 ZINC001165028129 721803809 /nfs/dbraw/zinc/80/38/09/721803809.db2.gz YPNWGCPALSTQCZ-AKIFATBCSA-N 1 1 399.542 4.276 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(C4CC4)n3)C[C@@H]21 ZINC001165027464 721813572 /nfs/dbraw/zinc/81/35/72/721813572.db2.gz UURNLJUDQOUZNH-XKGZKEIXSA-N 1 1 397.954 4.139 20 0 GIADMO Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001165025874 721814322 /nfs/dbraw/zinc/81/43/22/721814322.db2.gz OAXYBNSCGRTNEO-IHPCNDPISA-N 1 1 384.955 4.484 20 0 GIADMO CCCSc1cncc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027067 721826275 /nfs/dbraw/zinc/82/62/75/721826275.db2.gz RPYJVRTVRDBARQ-DFQSSKMNSA-N 1 1 397.592 4.111 20 0 GIADMO CC(C)Sc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165026198 721827310 /nfs/dbraw/zinc/82/73/10/721827310.db2.gz OHLIEEBYVZPPBD-DFQSSKMNSA-N 1 1 397.592 4.109 20 0 GIADMO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024496 721830428 /nfs/dbraw/zinc/83/04/28/721830428.db2.gz KHIBFWXPXRGTOZ-VCOUNFBDSA-N 1 1 379.552 4.040 20 0 GIADMO Cc1ccc(CN2CCOC3(CCN(c4[nH+]c(C)cc5[nH]ccc54)CC3)C2)cc1 ZINC001164938943 721927381 /nfs/dbraw/zinc/92/73/81/721927381.db2.gz CNFCTJPZDGMXJQ-UHFFFAOYSA-N 1 1 390.531 4.051 20 0 GIADMO c1ccc(-c2nccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164955814 722013760 /nfs/dbraw/zinc/01/37/60/722013760.db2.gz ZRRRMQSQAKCVQB-UHFFFAOYSA-N 1 1 385.515 4.031 20 0 GIADMO Clc1ccc2ncc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164951774 722016612 /nfs/dbraw/zinc/01/66/12/722016612.db2.gz DMILQALOAGLKJP-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Fc1cccc2c1ccnc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953603 722018892 /nfs/dbraw/zinc/01/88/92/722018892.db2.gz VQCZBBRTVCEYSM-UHFFFAOYSA-N 1 1 376.479 4.261 20 0 GIADMO Clc1ccnc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164956111 722020715 /nfs/dbraw/zinc/02/07/15/722020715.db2.gz WNQWEKPNEGYTHX-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc(Cl)nc2)C3)c1 ZINC001164993888 722195224 /nfs/dbraw/zinc/19/52/24/722195224.db2.gz ISAXANYOUOSFFQ-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc(Cl)nc2)C3)c1 ZINC001164993888 722195227 /nfs/dbraw/zinc/19/52/27/722195227.db2.gz ISAXANYOUOSFFQ-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Cc1cccc2c1ncnc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164992668 722196119 /nfs/dbraw/zinc/19/61/19/722196119.db2.gz AMUCZXAVZXXBDZ-QHCPKHFHSA-N 1 1 376.479 4.322 20 0 GIADMO Cc1nc2cc(F)ccc2c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164994594 722196354 /nfs/dbraw/zinc/19/63/54/722196354.db2.gz OGXMAWSZFRNYGN-HSZRJFAPSA-N 1 1 394.469 4.461 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc4ncccc4nc2Cl)C3)c1 ZINC001164993676 722198848 /nfs/dbraw/zinc/19/88/48/722198848.db2.gz HHSGNUYRTJVGSI-OAQYLSRUSA-N 1 1 397.885 4.062 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc4ncccc4nc2Cl)C3)c1 ZINC001164993676 722198849 /nfs/dbraw/zinc/19/88/49/722198849.db2.gz HHSGNUYRTJVGSI-OAQYLSRUSA-N 1 1 397.885 4.062 20 0 GIADMO COc1ccc2c(c1)ncnc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994993 722199538 /nfs/dbraw/zinc/19/95/38/722199538.db2.gz KEYBKJPLDDYHLV-HSZRJFAPSA-N 1 1 392.478 4.022 20 0 GIADMO COc1cccc2cnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc21 ZINC001164997216 722201077 /nfs/dbraw/zinc/20/10/77/722201077.db2.gz XEWJSOYPSJRJAZ-HSZRJFAPSA-N 1 1 392.478 4.022 20 0 GIADMO C[N@@H+](Cc1ccc(N2CC[C@@H](OCC3CC3)[C@H]2Cc2ccccc2)nc1)C1CC1 ZINC001165004566 722272042 /nfs/dbraw/zinc/27/20/42/722272042.db2.gz BPAUMKZUFLRLLV-DNQXCXABSA-N 1 1 391.559 4.292 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1cccc2c1N=S=N2 ZINC000175814521 823046421 /nfs/dbraw/zinc/04/64/21/823046421.db2.gz ODEVWCHEIWKTKJ-WFASDCNBSA-N 1 1 388.518 4.001 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1cccc2c1N=S=N2 ZINC000175814521 823046424 /nfs/dbraw/zinc/04/64/24/823046424.db2.gz ODEVWCHEIWKTKJ-WFASDCNBSA-N 1 1 388.518 4.001 20 0 GIADMO COc1c(Br)cccc1C[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000187355825 823048651 /nfs/dbraw/zinc/04/86/51/823048651.db2.gz LZFDIFLDUGCZKO-UHFFFAOYSA-N 1 1 379.298 4.320 20 0 GIADMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC000187359256 823049499 /nfs/dbraw/zinc/04/94/99/823049499.db2.gz AYMALUKEXLYAJY-HZPDHXFCSA-N 1 1 377.834 4.111 20 0 GIADMO COc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc(OC)c1 ZINC000055855493 823054246 /nfs/dbraw/zinc/05/42/46/823054246.db2.gz HIULOVGRPURTJR-HSZRJFAPSA-N 1 1 394.446 4.161 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CCOc3cccc(C)c3)C2)s1 ZINC000570553120 823053407 /nfs/dbraw/zinc/05/34/07/823053407.db2.gz IICMFXVTPMZIFF-IBGZPJMESA-N 1 1 386.561 4.114 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc(F)c(Cl)nc1Cl)C1CC1 ZINC000187389618 823054597 /nfs/dbraw/zinc/05/45/97/823054597.db2.gz RWEYHLFCAUOWTR-INIZCTEOSA-N 1 1 396.293 4.168 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2ncc(C)s2)ccc1OCc1c(C)noc1C ZINC000175859356 823056850 /nfs/dbraw/zinc/05/68/50/823056850.db2.gz YRIUXTLEJVESSF-CQSZACIVSA-N 1 1 387.505 4.495 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](c2c(F)cccc2F)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187410964 823058197 /nfs/dbraw/zinc/05/81/97/823058197.db2.gz MKYYGGCPIDZFTB-ULQDDVLXSA-N 1 1 391.506 4.117 20 0 GIADMO CN(Cc1cccs1)C(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175863183 823058365 /nfs/dbraw/zinc/05/83/65/823058365.db2.gz GEOJKTBXIKBXEP-AEFFLSMTSA-N 1 1 392.590 4.136 20 0 GIADMO OCC[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1 ZINC000570592688 823059279 /nfs/dbraw/zinc/05/92/79/823059279.db2.gz GJTJRNOGCUZGPZ-XXTHSBEZSA-N 1 1 384.951 4.264 20 0 GIADMO OCC[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1 ZINC000570592688 823059281 /nfs/dbraw/zinc/05/92/81/823059281.db2.gz GJTJRNOGCUZGPZ-XXTHSBEZSA-N 1 1 384.951 4.264 20 0 GIADMO CC(C)Oc1ccc(-c2noc([C@@H]3CCn4cc[nH+]c4C3)n2)c(C(F)(F)F)c1 ZINC000570603673 823060980 /nfs/dbraw/zinc/06/09/80/823060980.db2.gz XIQCLVWZVBXDET-GFCCVEGCSA-N 1 1 392.381 4.469 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000458593610 823061002 /nfs/dbraw/zinc/06/10/02/823061002.db2.gz QKFJDUKDHHWELG-LSDHHAIUSA-N 1 1 389.849 4.069 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000458593610 823061009 /nfs/dbraw/zinc/06/10/09/823061009.db2.gz QKFJDUKDHHWELG-LSDHHAIUSA-N 1 1 389.849 4.069 20 0 GIADMO Cc1cnc([C@@H](NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175874231 823061190 /nfs/dbraw/zinc/06/11/90/823061190.db2.gz PAYBRKIUCYPEQS-UZLBHIALSA-N 1 1 398.576 4.209 20 0 GIADMO O=C(CC[N@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccccc1Br ZINC000570613105 823062125 /nfs/dbraw/zinc/06/21/25/823062125.db2.gz FASDUWXASYBLCK-KRWDZBQOSA-N 1 1 387.321 4.342 20 0 GIADMO C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccccc1C(F)(F)F ZINC000055901103 823063989 /nfs/dbraw/zinc/06/39/89/823063989.db2.gz DGVJGHNFKRCCEI-UHFFFAOYSA-N 1 1 382.451 4.174 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000175893154 823065157 /nfs/dbraw/zinc/06/51/57/823065157.db2.gz QMOLCGHZZBIFGK-UHFFFAOYSA-N 1 1 395.532 4.481 20 0 GIADMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c(OCc2cccnc2)c1 ZINC000570638514 823065356 /nfs/dbraw/zinc/06/53/56/823065356.db2.gz JONDZGPEDIYUJS-IBGZPJMESA-N 1 1 392.499 4.052 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187449340 823065941 /nfs/dbraw/zinc/06/59/41/823065941.db2.gz WXMKUNMHDQOELM-OQRWROFFSA-N 1 1 385.508 4.001 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187449340 823065948 /nfs/dbraw/zinc/06/59/48/823065948.db2.gz WXMKUNMHDQOELM-OQRWROFFSA-N 1 1 385.508 4.001 20 0 GIADMO C[C@@H](NC(=O)N1CCc2cccc(Cl)c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458629248 823066489 /nfs/dbraw/zinc/06/64/89/823066489.db2.gz IWSTVLXYXANNPJ-NVXWUHKLSA-N 1 1 375.944 4.061 20 0 GIADMO C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458632431 823067300 /nfs/dbraw/zinc/06/73/00/823067300.db2.gz NLHAAAKGNMBMBD-CKJXQJPGSA-N 1 1 391.506 4.464 20 0 GIADMO Cc1csc([C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C2CC2)n1 ZINC000175900347 823067550 /nfs/dbraw/zinc/06/75/50/823067550.db2.gz XYCYTLNPYYIQMN-SFHVURJKSA-N 1 1 399.495 4.035 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CCCO3)[C@@H]1c1cccs1 ZINC000175903419 823068267 /nfs/dbraw/zinc/06/82/67/823068267.db2.gz KWFILZWVICGNJH-OXQOHEQNSA-N 1 1 385.533 4.278 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000570658960 823068355 /nfs/dbraw/zinc/06/83/55/823068355.db2.gz NYKUHVGSULAXBV-CYBMUJFWSA-N 1 1 396.318 4.419 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187465036 823068571 /nfs/dbraw/zinc/06/85/71/823068571.db2.gz MAWXYCUBCKXJEK-CZUORRHYSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187465036 823068576 /nfs/dbraw/zinc/06/85/76/823068576.db2.gz MAWXYCUBCKXJEK-CZUORRHYSA-N 1 1 387.833 4.038 20 0 GIADMO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458644506 823068897 /nfs/dbraw/zinc/06/88/97/823068897.db2.gz XVOULGFBFKWTNL-ZIFCJYIRSA-N 1 1 375.532 4.051 20 0 GIADMO COc1ccc(-c2ccnc(NCc3cc(C)[nH+]c(N4CCCC4)c3)n2)cc1 ZINC000570668052 823069427 /nfs/dbraw/zinc/06/94/27/823069427.db2.gz GOADJBXNXSWXIK-UHFFFAOYSA-N 1 1 375.476 4.068 20 0 GIADMO Cc1ncccc1Cc1noc([C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000570668864 823069614 /nfs/dbraw/zinc/06/96/14/823069614.db2.gz LVPNJTNCOMWCBZ-SFHVURJKSA-N 1 1 377.492 4.338 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000570671316 823070124 /nfs/dbraw/zinc/07/01/24/823070124.db2.gz CLGHIJKGDJQFDF-MSOLQXFVSA-N 1 1 384.524 4.355 20 0 GIADMO Clc1ccccc1-c1csc(C[N@@H+]2CCOCC3(CCOCC3)C2)n1 ZINC000187483930 823072796 /nfs/dbraw/zinc/07/27/96/823072796.db2.gz WYOCNOUSJGTEKE-UHFFFAOYSA-N 1 1 378.925 4.093 20 0 GIADMO Clc1ccccc1-c1csc(C[N@H+]2CCOCC3(CCOCC3)C2)n1 ZINC000187483930 823072802 /nfs/dbraw/zinc/07/28/02/823072802.db2.gz WYOCNOUSJGTEKE-UHFFFAOYSA-N 1 1 378.925 4.093 20 0 GIADMO COc1ccc(OCc2ccccn2)c(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000120860899 823078790 /nfs/dbraw/zinc/07/87/90/823078790.db2.gz ZQWCULKJTZZPLX-FQEVSTJZSA-N 1 1 397.563 4.127 20 0 GIADMO Cc1ccc([C@H](CNC(=O)CCc2nc3cccc(C)c3[nH]2)[NH+]2CCCC2)cc1 ZINC000175947494 823079726 /nfs/dbraw/zinc/07/97/26/823079726.db2.gz WBQBZZOVTRPQBM-NRFANRHFSA-N 1 1 390.531 4.066 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)c2ccc(F)cc2)cn1 ZINC000187520166 823079984 /nfs/dbraw/zinc/07/99/84/823079984.db2.gz PJRZYMQYDNXPRR-NRFANRHFSA-N 1 1 395.478 4.394 20 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20 0 GIADMO CCc1ccccc1OCCC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570811976 823090605 /nfs/dbraw/zinc/09/06/05/823090605.db2.gz WOIKJEXJXAARLO-KNQAVFIVSA-N 1 1 380.532 4.045 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000175994218 823090955 /nfs/dbraw/zinc/09/09/55/823090955.db2.gz SAXGCEQOSFJQNQ-CQSZACIVSA-N 1 1 388.427 4.170 20 0 GIADMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)n2C ZINC000187575691 823091345 /nfs/dbraw/zinc/09/13/45/823091345.db2.gz IJKKRPYYQZKAET-UHFFFAOYSA-N 1 1 381.373 4.252 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000056156226 823091536 /nfs/dbraw/zinc/09/15/36/823091536.db2.gz CBNKMAWIRDEROR-VQTJNVASSA-N 1 1 379.548 4.486 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000056156226 823091541 /nfs/dbraw/zinc/09/15/41/823091541.db2.gz CBNKMAWIRDEROR-VQTJNVASSA-N 1 1 379.548 4.486 20 0 GIADMO COc1ccccc1NC(=O)[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000056156181 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GIADMO COc1cc(C2(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2)ccc1C ZINC000176191216 823149098 /nfs/dbraw/zinc/14/90/98/823149098.db2.gz GXGJKCZNHTZGPC-QGZVFWFLSA-N 1 1 389.499 4.407 20 0 GIADMO C[N@@H+](CCCO[C@H]1CCCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000571228204 823151833 /nfs/dbraw/zinc/15/18/33/823151833.db2.gz WUAKVQMOCXWHGW-WMZOPIPTSA-N 1 1 384.314 4.138 20 0 GIADMO CC(=O)NC[C@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459287685 823156441 /nfs/dbraw/zinc/15/64/41/823156441.db2.gz ZMJLKPLWXCNQRM-DXSBJVNVSA-N 1 1 378.516 4.127 20 0 GIADMO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459264554 823153841 /nfs/dbraw/zinc/15/38/41/823153841.db2.gz NFYNNGMLAUQMMH-MRXNPFEDSA-N 1 1 385.474 4.357 20 0 GIADMO CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459268256 823154056 /nfs/dbraw/zinc/15/40/56/823154056.db2.gz RZYTWTOJMUVGBV-IBGZPJMESA-N 1 1 380.536 4.012 20 0 GIADMO CCOc1ccccc1[C@@H](CC)NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000176222777 823156490 /nfs/dbraw/zinc/15/64/90/823156490.db2.gz OLJIPUGOHQWHEB-HXUWFJFHSA-N 1 1 396.535 4.208 20 0 GIADMO Cc1ccc(-c2ncc(C[N@@H+](C)Cc3ccccc3N3CCOCC3)s2)o1 ZINC000121288052 823155779 /nfs/dbraw/zinc/15/57/79/823155779.db2.gz JPQATFJCSDOPEN-UHFFFAOYSA-N 1 1 383.517 4.180 20 0 GIADMO Cc1ccc(-c2ncc(C[N@H+](C)Cc3ccccc3N3CCOCC3)s2)o1 ZINC000121288052 823155783 /nfs/dbraw/zinc/15/57/83/823155783.db2.gz JPQATFJCSDOPEN-UHFFFAOYSA-N 1 1 383.517 4.180 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000459249443 823151567 /nfs/dbraw/zinc/15/15/67/823151567.db2.gz FENZXRAESGHHHN-QAPCUYQASA-N 1 1 394.357 4.028 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000459249445 823151578 /nfs/dbraw/zinc/15/15/78/823151578.db2.gz FENZXRAESGHHHN-YJBOKZPZSA-N 1 1 394.357 4.028 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3cccc(N4CCCC4)c3)CC2)[nH+]c1 ZINC000176241704 823161130 /nfs/dbraw/zinc/16/11/30/823161130.db2.gz HQCJPVPPFKFBNE-IBGZPJMESA-N 1 1 392.547 4.084 20 0 GIADMO CCC[C@H](NC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1)C1CCCC1 ZINC000459320926 823161136 /nfs/dbraw/zinc/16/11/36/823161136.db2.gz QGXMUVWSIGVKJE-VXKWHMMOSA-N 1 1 386.584 4.436 20 0 GIADMO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc(Br)c1O ZINC000459320668 823161172 /nfs/dbraw/zinc/16/11/72/823161172.db2.gz GFIKXXCXYMMOLS-CYBMUJFWSA-N 1 1 397.338 4.390 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc(Br)c1O ZINC000459320668 823161175 /nfs/dbraw/zinc/16/11/75/823161175.db2.gz GFIKXXCXYMMOLS-CYBMUJFWSA-N 1 1 397.338 4.390 20 0 GIADMO CC[NH+](CC)CC1CCN(Cc2ccc(OC)c(OC)c2Br)CC1 ZINC000056494173 823159257 /nfs/dbraw/zinc/15/92/57/823159257.db2.gz IJHAKJDIQDZZRX-UHFFFAOYSA-N 1 1 399.373 4.020 20 0 GIADMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459306798 823159357 /nfs/dbraw/zinc/15/93/57/823159357.db2.gz RPJUCIWMBCSHHO-UHFFFAOYSA-N 1 1 387.749 4.181 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCC(=O)c2cccn21)C1CCCCC1 ZINC000571273793 823159354 /nfs/dbraw/zinc/15/93/54/823159354.db2.gz RUJZCKRXRZOEQY-NRFANRHFSA-N 1 1 379.504 4.409 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)CCO1 ZINC000459322699 823161456 /nfs/dbraw/zinc/16/14/56/823161456.db2.gz CWQCTHHEBVNOMW-LJQANCHMSA-N 1 1 392.499 4.413 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)CCO1 ZINC000459322699 823161459 /nfs/dbraw/zinc/16/14/59/823161459.db2.gz CWQCTHHEBVNOMW-LJQANCHMSA-N 1 1 392.499 4.413 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccccc2N2CCO[C@H](C)C2)ccc1SC ZINC000459319475 823160674 /nfs/dbraw/zinc/16/06/74/823160674.db2.gz DQCMDVLDRVGPQX-QGZVFWFLSA-N 1 1 386.561 4.274 20 0 GIADMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000187957173 823163641 /nfs/dbraw/zinc/16/36/41/823163641.db2.gz RJRMOSGUGKNQOQ-ACJLOTCBSA-N 1 1 379.298 4.087 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4occ(C)c4c3)CC2)cc1 ZINC000187981037 823167083 /nfs/dbraw/zinc/16/70/83/823167083.db2.gz NYOUIAGQHGMEJD-UHFFFAOYSA-N 1 1 393.487 4.490 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2cscc2C(F)(F)F)CC1 ZINC000571338600 823167385 /nfs/dbraw/zinc/16/73/85/823167385.db2.gz AYYBFBOQUVNRBB-UHFFFAOYSA-N 1 1 397.466 4.043 20 0 GIADMO COc1ccc2[nH]c(C(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000571339840 823167661 /nfs/dbraw/zinc/16/76/61/823167661.db2.gz DUUUOZQGDVIPMU-LJQANCHMSA-N 1 1 391.515 4.209 20 0 GIADMO CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000571340540 823167943 /nfs/dbraw/zinc/16/79/43/823167943.db2.gz CEBXRVMKOSSSPZ-INIZCTEOSA-N 1 1 378.944 4.209 20 0 GIADMO CC[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc(Br)cc1Cl ZINC000188012516 823171872 /nfs/dbraw/zinc/17/18/72/823171872.db2.gz RMYSBJYPWAEMEJ-INIZCTEOSA-N 1 1 389.765 4.254 20 0 GIADMO CO[C@H](C)c1nc(CN2CCC[N@@H+](CCc3cccc(Cl)c3)CC2)cs1 ZINC000459357598 823170397 /nfs/dbraw/zinc/17/03/97/823170397.db2.gz PDKYFNRNGYSUCM-MRXNPFEDSA-N 1 1 393.984 4.254 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccccc2SC(F)F)cn1 ZINC000056564704 823171242 /nfs/dbraw/zinc/17/12/42/823171242.db2.gz RIJCHKRIULYGKN-UHFFFAOYSA-N 1 1 389.431 4.212 20 0 GIADMO C[N@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1cccs1 ZINC000188009040 823171255 /nfs/dbraw/zinc/17/12/55/823171255.db2.gz MTPUYKLYEIVDJC-KBXCAEBGSA-N 1 1 379.913 4.482 20 0 GIADMO CN1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1cccs1 ZINC000188009040 823171258 /nfs/dbraw/zinc/17/12/58/823171258.db2.gz MTPUYKLYEIVDJC-KBXCAEBGSA-N 1 1 379.913 4.482 20 0 GIADMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000121378739 823173784 /nfs/dbraw/zinc/17/37/84/823173784.db2.gz RHOSILQBMXBQFT-UKRRQHHQSA-N 1 1 377.419 4.186 20 0 GIADMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000121378739 823173787 /nfs/dbraw/zinc/17/37/87/823173787.db2.gz RHOSILQBMXBQFT-UKRRQHHQSA-N 1 1 377.419 4.186 20 0 GIADMO C[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H](CCO)c1ccccc1 ZINC000121383589 823174653 /nfs/dbraw/zinc/17/46/53/823174653.db2.gz SWISXDRAZCHDAM-KRWDZBQOSA-N 1 1 383.517 4.232 20 0 GIADMO C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H](CCO)c1ccccc1 ZINC000121383589 823174656 /nfs/dbraw/zinc/17/46/56/823174656.db2.gz SWISXDRAZCHDAM-KRWDZBQOSA-N 1 1 383.517 4.232 20 0 GIADMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000121383390 823174737 /nfs/dbraw/zinc/17/47/37/823174737.db2.gz POAQIPOOUUFZJA-UHFFFAOYSA-N 1 1 396.384 4.401 20 0 GIADMO Cc1c2cc(Cl)ccc2sc1CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000571385829 823175531 /nfs/dbraw/zinc/17/55/31/823175531.db2.gz DFMUTOQFLGOXLO-AWEZNQCLSA-N 1 1 379.957 4.393 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CSc4ccccc43)c2)C[C@H](C)O1 ZINC000121391317 823176147 /nfs/dbraw/zinc/17/61/47/823176147.db2.gz LEIDGVIXSPAGLI-GQIGUUNPSA-N 1 1 382.529 4.124 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CSc4ccccc43)c2)C[C@H](C)O1 ZINC000121391317 823176152 /nfs/dbraw/zinc/17/61/52/823176152.db2.gz LEIDGVIXSPAGLI-GQIGUUNPSA-N 1 1 382.529 4.124 20 0 GIADMO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376153 823176426 /nfs/dbraw/zinc/17/64/26/823176426.db2.gz NRHRXTDCZIYIIY-GCJKJVERSA-N 1 1 381.568 4.222 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376153 823176428 /nfs/dbraw/zinc/17/64/28/823176428.db2.gz NRHRXTDCZIYIIY-GCJKJVERSA-N 1 1 381.568 4.222 20 0 GIADMO CCN1CC[C@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376153 823176429 /nfs/dbraw/zinc/17/64/29/823176429.db2.gz NRHRXTDCZIYIIY-GCJKJVERSA-N 1 1 381.568 4.222 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376153 823176431 /nfs/dbraw/zinc/17/64/31/823176431.db2.gz NRHRXTDCZIYIIY-GCJKJVERSA-N 1 1 381.568 4.222 20 0 GIADMO CCCCOc1cc(OCCC)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000188042846 823176372 /nfs/dbraw/zinc/17/63/72/823176372.db2.gz KJPPQIONMNGTLH-MSOLQXFVSA-N 1 1 376.541 4.209 20 0 GIADMO CC[N@@H+]1CC[C@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376140 823176497 /nfs/dbraw/zinc/17/64/97/823176497.db2.gz NRHRXTDCZIYIIY-AVRDEDQJSA-N 1 1 381.568 4.222 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376140 823176501 /nfs/dbraw/zinc/17/65/01/823176501.db2.gz NRHRXTDCZIYIIY-AVRDEDQJSA-N 1 1 381.568 4.222 20 0 GIADMO CCN1CC[C@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376140 823176504 /nfs/dbraw/zinc/17/65/04/823176504.db2.gz NRHRXTDCZIYIIY-AVRDEDQJSA-N 1 1 381.568 4.222 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376140 823176507 /nfs/dbraw/zinc/17/65/07/823176507.db2.gz NRHRXTDCZIYIIY-AVRDEDQJSA-N 1 1 381.568 4.222 20 0 GIADMO Fc1ccc2nc([C@H]3CCC[N@H+]([C@@H]4CCN(Cc5ccccc5)C4)C3)oc2c1 ZINC000459377697 823176877 /nfs/dbraw/zinc/17/68/77/823176877.db2.gz PWSYCFSZSKWJRY-AZUAARDMSA-N 1 1 379.479 4.421 20 0 GIADMO Fc1ccc2nc([C@H]3CCCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)C3)oc2c1 ZINC000459377697 823176878 /nfs/dbraw/zinc/17/68/78/823176878.db2.gz PWSYCFSZSKWJRY-AZUAARDMSA-N 1 1 379.479 4.421 20 0 GIADMO Fc1ccc2nc([C@H]3CCCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)C3)oc2c1 ZINC000459377697 823176880 /nfs/dbraw/zinc/17/68/80/823176880.db2.gz PWSYCFSZSKWJRY-AZUAARDMSA-N 1 1 379.479 4.421 20 0 GIADMO O=c1cc(C[NH2+][C@H](COCc2ccccc2)c2ccccc2)nc(C2CC2)[nH]1 ZINC000459383162 823178798 /nfs/dbraw/zinc/17/87/98/823178798.db2.gz GJMPPWJWLBOOHQ-OAQYLSRUSA-N 1 1 375.472 4.107 20 0 GIADMO C[C@@H](CCCc1cccnc1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000459386614 823179984 /nfs/dbraw/zinc/17/99/84/823179984.db2.gz JJMNAZWSMJHFIB-SFHVURJKSA-N 1 1 398.576 4.163 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3coc(C4CCCC4)n3)CC[N@@H+]2C2CC2)c1 ZINC000571421800 823180415 /nfs/dbraw/zinc/18/04/15/823180415.db2.gz ZQMRAYKBJDZVNR-PZJWPPBQSA-N 1 1 395.503 4.049 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3coc(C4CCCC4)n3)CC[N@H+]2C2CC2)c1 ZINC000571421800 823180419 /nfs/dbraw/zinc/18/04/19/823180419.db2.gz ZQMRAYKBJDZVNR-PZJWPPBQSA-N 1 1 395.503 4.049 20 0 GIADMO CCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000176317148 823180426 /nfs/dbraw/zinc/18/04/26/823180426.db2.gz CHLUOPJSDUSLSK-RYUDHWBXSA-N 1 1 378.822 4.044 20 0 GIADMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1nc(C)c(-c3ccc(Cl)cc3)o1)CC2 ZINC000121430330 823182834 /nfs/dbraw/zinc/18/28/34/823182834.db2.gz UZRXSAXJDHSZLE-ROUUACIJSA-N 1 1 390.911 4.055 20 0 GIADMO c1sc(-c2ncccn2)nc1CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000571446267 823183899 /nfs/dbraw/zinc/18/38/99/823183899.db2.gz ZYVGGGBNXFUXHO-GOSISDBHSA-N 1 1 382.558 4.498 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC(=O)c2cc(Cl)sc2Cl)C1 ZINC000121435787 823183895 /nfs/dbraw/zinc/18/38/95/823183895.db2.gz AUFCMYUYQACCCQ-LBPRGKRZSA-N 1 1 391.364 4.208 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000459400985 823184135 /nfs/dbraw/zinc/18/41/35/823184135.db2.gz CWXYCHGTASOUOL-MOPGFXCFSA-N 1 1 396.535 4.008 20 0 GIADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC000571454553 823185325 /nfs/dbraw/zinc/18/53/25/823185325.db2.gz ONVAJNUNBROPGT-ZDUSSCGKSA-N 1 1 395.519 4.212 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000056629377 823185533 /nfs/dbraw/zinc/18/55/33/823185533.db2.gz UVJJPHDMLDXZCF-VCSGRIEYSA-N 1 1 395.551 4.049 20 0 GIADMO CSc1ccsc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000121443206 823185593 /nfs/dbraw/zinc/18/55/93/823185593.db2.gz BJLIQNJINVAXDI-OKILXGFUSA-N 1 1 376.547 4.332 20 0 GIADMO CSc1ccsc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000121443206 823185596 /nfs/dbraw/zinc/18/55/96/823185596.db2.gz BJLIQNJINVAXDI-OKILXGFUSA-N 1 1 376.547 4.332 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000176349638 823189088 /nfs/dbraw/zinc/18/90/88/823189088.db2.gz LHIKZWGHNTXNRI-GHTZIAJQSA-N 1 1 391.515 4.444 20 0 GIADMO Oc1cccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1Br ZINC000459411696 823186983 /nfs/dbraw/zinc/18/69/83/823186983.db2.gz FFDXPCIQVXPSOE-UHFFFAOYSA-N 1 1 380.257 4.089 20 0 GIADMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459421273 823188879 /nfs/dbraw/zinc/18/88/79/823188879.db2.gz DUFSDWCQBLROIV-OAHLLOKOSA-N 1 1 386.508 4.045 20 0 GIADMO C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1sccc1Br ZINC000571468870 823187373 /nfs/dbraw/zinc/18/73/73/823187373.db2.gz WYKSZAUOKPHJFX-IUODEOHRSA-N 1 1 381.339 4.381 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000571487018 823190153 /nfs/dbraw/zinc/19/01/53/823190153.db2.gz VUECXRDAEMHBKG-FCGDIQPGSA-N 1 1 389.971 4.030 20 0 GIADMO Cc1cc(CNC(=O)CCSc2ccc(Cl)cc2)cc(N2CCCC2)[nH+]1 ZINC000571488311 823190527 /nfs/dbraw/zinc/19/05/27/823190527.db2.gz GTIHRCSHTIWWAF-UHFFFAOYSA-N 1 1 389.952 4.442 20 0 GIADMO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2O1 ZINC000188127690 823190703 /nfs/dbraw/zinc/19/07/03/823190703.db2.gz NZYFVHFDAGENML-VQIMIIECSA-N 1 1 399.535 4.455 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000056658471 823191500 /nfs/dbraw/zinc/19/15/00/823191500.db2.gz XEBYEZWREUNIHG-ZWKOTPCHSA-N 1 1 394.519 4.181 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)c3cc4ccccc4o3)CC2)oc1C ZINC000176365130 823192113 /nfs/dbraw/zinc/19/21/13/823192113.db2.gz JYPHZDMTKLWABC-OAHLLOKOSA-N 1 1 395.503 4.170 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ncoc3-c3ccccc3)c2)C[C@H](C)O1 ZINC000121504851 823196314 /nfs/dbraw/zinc/19/63/14/823196314.db2.gz SLUAYASHCBKFHG-IRXDYDNUSA-N 1 1 391.471 4.203 20 0 GIADMO CCN(C[C@@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1)CC(F)(F)F ZINC000176393301 823197642 /nfs/dbraw/zinc/19/76/42/823197642.db2.gz RDMBOXDFMMAROT-KRWDZBQOSA-N 1 1 397.510 4.440 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1)CC(F)(F)F ZINC000176393301 823197645 /nfs/dbraw/zinc/19/76/45/823197645.db2.gz RDMBOXDFMMAROT-KRWDZBQOSA-N 1 1 397.510 4.440 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1)CC(F)(F)F ZINC000176395689 823198431 /nfs/dbraw/zinc/19/84/31/823198431.db2.gz NGSJHQWBIVGQFZ-CQSZACIVSA-N 1 1 385.405 4.187 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000176399585 823199641 /nfs/dbraw/zinc/19/96/41/823199641.db2.gz DOPFGQMFBRUADG-SFHVURJKSA-N 1 1 382.504 4.291 20 0 GIADMO COc1ccc2c(c1)[C@@H](NCC1([NH+]3CCCCC3)CCOCC1)CCCS2 ZINC000188189458 823200716 /nfs/dbraw/zinc/20/07/16/823200716.db2.gz XISJAUMKUGQUSW-FQEVSTJZSA-N 1 1 390.593 4.247 20 0 GIADMO CCCCOc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000056750034 823206460 /nfs/dbraw/zinc/20/64/60/823206460.db2.gz UMHIDWZVRGIQNU-UHFFFAOYSA-N 1 1 379.464 4.076 20 0 GIADMO Cc1cc(F)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000459483026 823202155 /nfs/dbraw/zinc/20/21/55/823202155.db2.gz PELRYUUNTLAOMM-QGZVFWFLSA-N 1 1 378.919 4.402 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000188199720 823202325 /nfs/dbraw/zinc/20/23/25/823202325.db2.gz OKRYACWVQYGPOT-KRWDZBQOSA-N 1 1 393.531 4.115 20 0 GIADMO Cc1cc(CNC(=O)N(C)Cc2ccc(C(C)C)cc2)cc(N2CCCC2)[nH+]1 ZINC000571577572 823203396 /nfs/dbraw/zinc/20/33/96/823203396.db2.gz AWPMSPMAPAFQAR-UHFFFAOYSA-N 1 1 380.536 4.455 20 0 GIADMO C[C@H](Oc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cn1)c1ccccc1 ZINC000571590430 823204636 /nfs/dbraw/zinc/20/46/36/823204636.db2.gz WZDSXFPHMSNZSB-MOPGFXCFSA-N 1 1 393.531 4.168 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459506588 823206717 /nfs/dbraw/zinc/20/67/17/823206717.db2.gz KYCRCBXTFAAHRH-UHFFFAOYSA-N 1 1 392.543 4.314 20 0 GIADMO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)C2c3ccccc3-c3ccccc32)cc1 ZINC000176434324 823206760 /nfs/dbraw/zinc/20/67/60/823206760.db2.gz NXRUJTKQMWEMDW-UHFFFAOYSA-N 1 1 399.494 4.029 20 0 GIADMO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)C2c3ccccc3-c3ccccc32)cc1 ZINC000176434324 823206766 /nfs/dbraw/zinc/20/67/66/823206766.db2.gz NXRUJTKQMWEMDW-UHFFFAOYSA-N 1 1 399.494 4.029 20 0 GIADMO CC(C)OCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190781714 823608247 /nfs/dbraw/zinc/60/82/47/823608247.db2.gz FEDYANNEVBYVNE-HNNXBMFYSA-N 1 1 380.286 4.061 20 0 GIADMO CC(C)OCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190781714 823608250 /nfs/dbraw/zinc/60/82/50/823608250.db2.gz FEDYANNEVBYVNE-HNNXBMFYSA-N 1 1 380.286 4.061 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c(F)c1 ZINC000459526754 823212030 /nfs/dbraw/zinc/21/20/30/823212030.db2.gz PPTKRTABRJBVBO-QGZVFWFLSA-N 1 1 382.479 4.025 20 0 GIADMO Brc1cccc(N[C@@H]2CCC[N@@H+](Cc3cnc(C4CC4)nc3)C2)c1 ZINC000459510693 823207813 /nfs/dbraw/zinc/20/78/13/823207813.db2.gz XGHBOWMQMDJLHM-GOSISDBHSA-N 1 1 387.325 4.193 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@@H]1c1ccccc1 ZINC000571607773 823207903 /nfs/dbraw/zinc/20/79/03/823207903.db2.gz UQZYEQDSHMORDT-WBVHZDCISA-N 1 1 384.348 4.159 20 0 GIADMO O=C(Nc1cccc(-c2nccs2)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000056778163 823212242 /nfs/dbraw/zinc/21/22/42/823212242.db2.gz YLUMLAUPAZRFMB-UHFFFAOYSA-N 1 1 392.528 4.202 20 0 GIADMO Fc1ccc2c(c1)onc2C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459515027 823208957 /nfs/dbraw/zinc/20/89/57/823208957.db2.gz DCOIZBVALHAYFF-FQEVSTJZSA-N 1 1 379.479 4.421 20 0 GIADMO Fc1ccc2c(c1)onc2C1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000459515027 823208961 /nfs/dbraw/zinc/20/89/61/823208961.db2.gz DCOIZBVALHAYFF-FQEVSTJZSA-N 1 1 379.479 4.421 20 0 GIADMO CC1(C)C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c2cc(N)ccc2O1 ZINC000571679864 823217839 /nfs/dbraw/zinc/21/78/39/823217839.db2.gz XKFFOHHVDMYQCE-RTWAWAEBSA-N 1 1 393.531 4.042 20 0 GIADMO CC(=O)CCc1ccc2oc(C(=O)N3CC[NH2+][C@@H](c4ccccc4)C3)c(C)c2c1 ZINC000571639207 823213206 /nfs/dbraw/zinc/21/32/06/823213206.db2.gz JPKYTIMQHBWUIT-OAQYLSRUSA-N 1 1 390.483 4.050 20 0 GIADMO CCOc1cc(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)cc(Cl)c1O ZINC000459533194 823213491 /nfs/dbraw/zinc/21/34/91/823213491.db2.gz FFJWTFJYGQKGNA-QGZVFWFLSA-N 1 1 383.319 4.490 20 0 GIADMO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000056792312 823215183 /nfs/dbraw/zinc/21/51/83/823215183.db2.gz PVNZNPYKZZVVLH-FQEVSTJZSA-N 1 1 394.519 4.261 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)C1 ZINC000459542616 823216063 /nfs/dbraw/zinc/21/60/63/823216063.db2.gz ARBMGOVITHGIEJ-CYBMUJFWSA-N 1 1 391.409 4.010 20 0 GIADMO Cc1ccc([C@@H](OC[C@H](O)C[N@@H+](C)CCc2ccccn2)c2ccccc2)cc1 ZINC000121624862 823218304 /nfs/dbraw/zinc/21/83/04/823218304.db2.gz HCQZYFSRISIMDG-RPBOFIJWSA-N 1 1 390.527 4.031 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000459546496 823217271 /nfs/dbraw/zinc/21/72/71/823217271.db2.gz QXFMEOJKNYTPOH-JOCHJYFZSA-N 1 1 381.545 4.108 20 0 GIADMO c1c(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459555035 823219566 /nfs/dbraw/zinc/21/95/66/823219566.db2.gz GVXAYXNPPHERHL-HXUWFJFHSA-N 1 1 380.536 4.309 20 0 GIADMO COCC[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccn1 ZINC000459555969 823219600 /nfs/dbraw/zinc/21/96/00/823219600.db2.gz HKYADUPXPXRAQY-UHFFFAOYSA-N 1 1 391.519 4.104 20 0 GIADMO COCC[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccn1 ZINC000459555969 823219606 /nfs/dbraw/zinc/21/96/06/823219606.db2.gz HKYADUPXPXRAQY-UHFFFAOYSA-N 1 1 391.519 4.104 20 0 GIADMO Cc1nc2sccn2c(=O)c1CC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459571569 823223099 /nfs/dbraw/zinc/22/30/99/823223099.db2.gz GPYRTGUNGOPUQM-IBGZPJMESA-N 1 1 379.529 4.224 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC000409452669 823221988 /nfs/dbraw/zinc/22/19/88/823221988.db2.gz JGZCGZRGEYXWQS-UHFFFAOYSA-N 1 1 393.340 4.148 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2csc3ccccc23)cc1F ZINC000409456089 823223247 /nfs/dbraw/zinc/22/32/47/823223247.db2.gz IAYGOOAYVXPZFW-UHFFFAOYSA-N 1 1 379.460 4.393 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)C(=O)OC2CCCC2)c1 ZINC000176503570 823223273 /nfs/dbraw/zinc/22/32/73/823223273.db2.gz JTRVTROBNKQMOG-INIZCTEOSA-N 1 1 398.507 4.051 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2oc3ccc(F)cc3c2C)cc1F ZINC000409454278 823222631 /nfs/dbraw/zinc/22/26/31/823222631.db2.gz APXPFESRDPBWST-UHFFFAOYSA-N 1 1 381.382 4.444 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2Br)c(C)c1OC ZINC000459570221 823222731 /nfs/dbraw/zinc/22/27/31/823222731.db2.gz NUJDSQYUUIQEMN-LBPRGKRZSA-N 1 1 380.282 4.331 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459576628 823223915 /nfs/dbraw/zinc/22/39/15/823223915.db2.gz GOCBVOFMBMDVSP-KSFYIVLOSA-N 1 1 385.508 4.468 20 0 GIADMO C[C@H](CNC(=O)c1c(Cl)c2ccccc2n1C)[N@@H+]1CCc2sccc2C1 ZINC000056888129 823228135 /nfs/dbraw/zinc/22/81/35/823228135.db2.gz AKWGGYSXKVNTAC-CYBMUJFWSA-N 1 1 387.936 4.070 20 0 GIADMO C[C@H](CNC(=O)c1c(Cl)c2ccccc2n1C)[N@H+]1CCc2sccc2C1 ZINC000056888129 823228140 /nfs/dbraw/zinc/22/81/40/823228140.db2.gz AKWGGYSXKVNTAC-CYBMUJFWSA-N 1 1 387.936 4.070 20 0 GIADMO Cc1ccnc(-c2noc(C[N@@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)n2)c1 ZINC000571750705 823229509 /nfs/dbraw/zinc/22/95/09/823229509.db2.gz GBIRZTHJVUWLJR-INIZCTEOSA-N 1 1 386.908 4.460 20 0 GIADMO Cc1ccnc(-c2noc(C[N@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)n2)c1 ZINC000571750705 823229515 /nfs/dbraw/zinc/22/95/15/823229515.db2.gz GBIRZTHJVUWLJR-INIZCTEOSA-N 1 1 386.908 4.460 20 0 GIADMO Cc1ccnc(-c2noc(C[N@@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)n2)c1 ZINC000571750706 823229677 /nfs/dbraw/zinc/22/96/77/823229677.db2.gz GBIRZTHJVUWLJR-MRXNPFEDSA-N 1 1 386.908 4.460 20 0 GIADMO Cc1ccnc(-c2noc(C[N@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)n2)c1 ZINC000571750706 823229678 /nfs/dbraw/zinc/22/96/78/823229678.db2.gz GBIRZTHJVUWLJR-MRXNPFEDSA-N 1 1 386.908 4.460 20 0 GIADMO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000176529661 823230211 /nfs/dbraw/zinc/23/02/11/823230211.db2.gz OSZHIWXKZHRKEV-QGZVFWFLSA-N 1 1 396.535 4.204 20 0 GIADMO CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000056908372 823231263 /nfs/dbraw/zinc/23/12/63/823231263.db2.gz HROSGIBBXBKDCG-FQEVSTJZSA-N 1 1 396.535 4.030 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000459627190 823231975 /nfs/dbraw/zinc/23/19/75/823231975.db2.gz BCQKNMNCYSBRRT-GHMZBOCLSA-N 1 1 394.338 4.072 20 0 GIADMO CSc1cccc(F)c1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000409472551 823228637 /nfs/dbraw/zinc/22/86/37/823228637.db2.gz VFUWNQIFRZDSII-UHFFFAOYSA-N 1 1 384.520 4.211 20 0 GIADMO Fc1ccc(OCCC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459630472 823232701 /nfs/dbraw/zinc/23/27/01/823232701.db2.gz AHVCGKYRJCMQOW-KRWDZBQOSA-N 1 1 375.406 4.276 20 0 GIADMO CC(C)n1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000188396555 823233328 /nfs/dbraw/zinc/23/33/28/823233328.db2.gz KAFITDDWLAVTEY-UHFFFAOYSA-N 1 1 388.515 4.011 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459633157 823233455 /nfs/dbraw/zinc/23/34/55/823233455.db2.gz DKESZSIGYSUFQG-FUHWJXTLSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459633157 823233458 /nfs/dbraw/zinc/23/34/58/823233458.db2.gz DKESZSIGYSUFQG-FUHWJXTLSA-N 1 1 398.469 4.311 20 0 GIADMO C[C@H]([NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nc2c(s1)CCC2 ZINC000459634381 823234072 /nfs/dbraw/zinc/23/40/72/823234072.db2.gz MQYDSTBSDVLZMW-AWEZNQCLSA-N 1 1 389.540 4.249 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(I)cc1)c1nc2c(s1)CCC2 ZINC000459635300 823234526 /nfs/dbraw/zinc/23/45/26/823234526.db2.gz UAGDJXTXELITPD-SNVBAGLBSA-N 1 1 384.286 4.087 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1 ZINC000459636062 823234941 /nfs/dbraw/zinc/23/49/41/823234941.db2.gz PIPWUMHZKUYJJV-DNVCBOLYSA-N 1 1 399.560 4.045 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000571779066 823233201 /nfs/dbraw/zinc/23/32/01/823233201.db2.gz GEFUIYMAGJNSHB-DLBZAZTESA-N 1 1 389.506 4.119 20 0 GIADMO COc1ccc(-c2ccc(-c3noc(CCCC[NH+]4CCOCC4)n3)cc2)cc1 ZINC000571840219 823242874 /nfs/dbraw/zinc/24/28/74/823242874.db2.gz PKAFWVAZVUJDSD-UHFFFAOYSA-N 1 1 393.487 4.067 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459658187 823242515 /nfs/dbraw/zinc/24/25/15/823242515.db2.gz JANJIQYOJNEKAM-SFHVURJKSA-N 1 1 394.437 4.340 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459658187 823242521 /nfs/dbraw/zinc/24/25/21/823242521.db2.gz JANJIQYOJNEKAM-SFHVURJKSA-N 1 1 394.437 4.340 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)CC12CCOCC2 ZINC000459651164 823239173 /nfs/dbraw/zinc/23/91/73/823239173.db2.gz YXFHDOOVDPDPRO-GOSISDBHSA-N 1 1 379.426 4.053 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)CC12CCOCC2 ZINC000459652133 823239510 /nfs/dbraw/zinc/23/95/10/823239510.db2.gz QHSPXOQDDXYREO-MRXNPFEDSA-N 1 1 397.466 4.386 20 0 GIADMO Fc1ccc(-n2cc(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)cn2)cc1 ZINC000459653277 823239972 /nfs/dbraw/zinc/23/99/72/823239972.db2.gz RCPYCOAJJKPCET-GOSISDBHSA-N 1 1 397.416 4.192 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC12CCOCC2 ZINC000459652488 823240168 /nfs/dbraw/zinc/24/01/68/823240168.db2.gz BXVMXUGJKFHATH-LJQANCHMSA-N 1 1 393.453 4.112 20 0 GIADMO Clc1ccc(-c2nc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)cs2)cc1 ZINC000571828240 823240646 /nfs/dbraw/zinc/24/06/46/823240646.db2.gz KWMQCQCDXMVMOD-SFHVURJKSA-N 1 1 378.925 4.233 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc(OC)c1OCC(F)F ZINC000459656873 823241646 /nfs/dbraw/zinc/24/16/46/823241646.db2.gz WERMTLJEQFQSKR-LLVKDONJSA-N 1 1 398.475 4.144 20 0 GIADMO Cc1ccccc1C1(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CCC1 ZINC000409527346 823241623 /nfs/dbraw/zinc/24/16/23/823241623.db2.gz CIBNXZZXOIQDQY-LJQANCHMSA-N 1 1 378.516 4.449 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000571837135 823242137 /nfs/dbraw/zinc/24/21/37/823242137.db2.gz BDZNVFIAALABRY-XMMPIXPASA-N 1 1 379.475 4.285 20 0 GIADMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459659744 823243165 /nfs/dbraw/zinc/24/31/65/823243165.db2.gz ZNISURLQDMDYQT-KRWDZBQOSA-N 1 1 387.490 4.436 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)CC12CCOCC2 ZINC000459662743 823244605 /nfs/dbraw/zinc/24/46/05/823244605.db2.gz NSXHFHPAUXAGPL-LJQANCHMSA-N 1 1 393.453 4.112 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1SC ZINC000459664264 823245020 /nfs/dbraw/zinc/24/50/20/823245020.db2.gz FSKBQJATNVCFIT-CRAIPNDOSA-N 1 1 385.533 4.202 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)CC12CCOCC2 ZINC000459665520 823245378 /nfs/dbraw/zinc/24/53/78/823245378.db2.gz QIRJQTRPDWZXGO-OAHLLOKOSA-N 1 1 397.466 4.386 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)CC12CCOCC2 ZINC000459665520 823245379 /nfs/dbraw/zinc/24/53/79/823245379.db2.gz QIRJQTRPDWZXGO-OAHLLOKOSA-N 1 1 397.466 4.386 20 0 GIADMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459666283 823245725 /nfs/dbraw/zinc/24/57/25/823245725.db2.gz RHOSYGDQXDZKGU-MAUKXSAKSA-N 1 1 394.441 4.009 20 0 GIADMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459666283 823245730 /nfs/dbraw/zinc/24/57/30/823245730.db2.gz RHOSYGDQXDZKGU-MAUKXSAKSA-N 1 1 394.441 4.009 20 0 GIADMO CCCCn1nc(C)c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1Cl ZINC000121769110 823247019 /nfs/dbraw/zinc/24/70/19/823247019.db2.gz OBVQDEUMRTXYFD-MRXNPFEDSA-N 1 1 386.931 4.067 20 0 GIADMO Fc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1C(F)(F)F ZINC000121776166 823247933 /nfs/dbraw/zinc/24/79/33/823247933.db2.gz PGFUCGUOHXQOTI-AWEZNQCLSA-N 1 1 378.373 4.267 20 0 GIADMO CSC1(C[N@@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)CCC1 ZINC000571870656 823248076 /nfs/dbraw/zinc/24/80/76/823248076.db2.gz YTCYWESEIHLVJQ-UHFFFAOYSA-N 1 1 390.574 4.205 20 0 GIADMO COc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1SC ZINC000459675680 823248381 /nfs/dbraw/zinc/24/83/81/823248381.db2.gz NGGXFLIEFRAAGD-HDICACEKSA-N 1 1 397.544 4.013 20 0 GIADMO FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1Cl ZINC000121791315 823252454 /nfs/dbraw/zinc/25/24/54/823252454.db2.gz HBWOLTGVEDKGNC-CQSZACIVSA-N 1 1 392.837 4.364 20 0 GIADMO COc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc(OC)c1Cl ZINC000459682940 823250045 /nfs/dbraw/zinc/25/00/45/823250045.db2.gz TYGOPMYLGJMLBF-AWEZNQCLSA-N 1 1 383.920 4.133 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)C2(Cc3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000188494580 823250585 /nfs/dbraw/zinc/25/05/85/823250585.db2.gz WKCLDUPQLLJYTG-WIYYLYMNSA-N 1 1 380.507 4.318 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)cn1 ZINC000057117973 823250572 /nfs/dbraw/zinc/25/05/72/823250572.db2.gz GLWNQGVSYPFHQP-IBGZPJMESA-N 1 1 395.894 4.276 20 0 GIADMO C[C@@H]1[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CCCN1C(=O)OC(C)(C)C ZINC000188494197 823250612 /nfs/dbraw/zinc/25/06/12/823250612.db2.gz NGBMQWVOWXINNA-OLMNPRSZSA-N 1 1 388.487 4.016 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000571894078 823250793 /nfs/dbraw/zinc/25/07/93/823250793.db2.gz UNIGWUFZMGFJID-HZCBDIJESA-N 1 1 397.515 4.299 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000571894078 823250797 /nfs/dbraw/zinc/25/07/97/823250797.db2.gz UNIGWUFZMGFJID-HZCBDIJESA-N 1 1 397.515 4.299 20 0 GIADMO CN(CCc1cccs1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000176623573 823251388 /nfs/dbraw/zinc/25/13/88/823251388.db2.gz DFUHJWZPBQAZQH-IHWFROFDSA-N 1 1 383.561 4.128 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCOc2cccc(C)c2)cc1F ZINC000409570244 823251401 /nfs/dbraw/zinc/25/14/01/823251401.db2.gz LXTYQEJUZKCWMC-UHFFFAOYSA-N 1 1 381.451 4.104 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459692958 823251922 /nfs/dbraw/zinc/25/19/22/823251922.db2.gz ILVAQVNRVITLNG-XLIONFOSSA-N 1 1 399.922 4.036 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(Cl)c1 ZINC000057127638 823252016 /nfs/dbraw/zinc/25/20/16/823252016.db2.gz UKLJKDGZGAUNKM-GOSISDBHSA-N 1 1 383.883 4.180 20 0 GIADMO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000459705304 823254097 /nfs/dbraw/zinc/25/40/97/823254097.db2.gz HXGLIXILXGJCSL-CYBMUJFWSA-N 1 1 378.822 4.188 20 0 GIADMO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000459705304 823254104 /nfs/dbraw/zinc/25/41/04/823254104.db2.gz HXGLIXILXGJCSL-CYBMUJFWSA-N 1 1 378.822 4.188 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@H]3C)CC2)cs1 ZINC000176642144 823255983 /nfs/dbraw/zinc/25/59/83/823255983.db2.gz PBNBQAUHHAECQL-IERDGZPVSA-N 1 1 383.561 4.068 20 0 GIADMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nc([C@@H]4COc5ccccc5O4)no3)C2)c1 ZINC000571935361 823256872 /nfs/dbraw/zinc/25/68/72/823256872.db2.gz KRXSRVZVRYVMQH-UZLBHIALSA-N 1 1 395.434 4.101 20 0 GIADMO Cc1nccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)n1 ZINC000057169312 823258476 /nfs/dbraw/zinc/25/84/76/823258476.db2.gz JQRLLGMONJCTHF-NRFANRHFSA-N 1 1 386.499 4.303 20 0 GIADMO CC(C)c1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000409601314 823258587 /nfs/dbraw/zinc/25/85/87/823258587.db2.gz PTDJZXQLUOFRNA-SFHVURJKSA-N 1 1 381.520 4.352 20 0 GIADMO CC(C)c1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000409601314 823258592 /nfs/dbraw/zinc/25/85/92/823258592.db2.gz PTDJZXQLUOFRNA-SFHVURJKSA-N 1 1 381.520 4.352 20 0 GIADMO FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1 ZINC000459741491 823259089 /nfs/dbraw/zinc/25/90/89/823259089.db2.gz YJGXOGRBOWHNKV-IAGOWNOFSA-N 1 1 377.410 4.096 20 0 GIADMO COC(=O)c1ccc(C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)[nH]1 ZINC000571951206 823259445 /nfs/dbraw/zinc/25/94/45/823259445.db2.gz KCCXBYIDDMTENG-UHFFFAOYSA-N 1 1 389.908 4.444 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409603996 823259482 /nfs/dbraw/zinc/25/94/82/823259482.db2.gz LWJYNNGWAUXMPU-QHCPKHFHSA-N 1 1 378.560 4.325 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](O)[C@H](C4CCCC4)C3)cc2)cs1 ZINC000459745219 823259654 /nfs/dbraw/zinc/25/96/54/823259654.db2.gz FDMNGLMDANRXLM-FCHUYYIVSA-N 1 1 386.561 4.404 20 0 GIADMO O=C(c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1)N1CCCC1 ZINC000121852015 823263303 /nfs/dbraw/zinc/26/33/03/823263303.db2.gz KJFPSWUHKDKAHO-YADHBBJMSA-N 1 1 396.531 4.384 20 0 GIADMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000459757664 823261314 /nfs/dbraw/zinc/26/13/14/823261314.db2.gz HOTIGSLLNNAOLA-HRAATJIYSA-N 1 1 397.519 4.051 20 0 GIADMO CN(CCC1CC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000121844033 823261506 /nfs/dbraw/zinc/26/15/06/823261506.db2.gz YRDDLEWKXDJIOB-UHFFFAOYSA-N 1 1 384.351 4.399 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000409613063 823261667 /nfs/dbraw/zinc/26/16/67/823261667.db2.gz UTFHEVIULOQVRD-YZGWKJHDSA-N 1 1 393.522 4.412 20 0 GIADMO CC(C)c1cnc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)s1 ZINC000459769782 823262475 /nfs/dbraw/zinc/26/24/75/823262475.db2.gz RYTPNJRWGOVBPI-CJNGLKHVSA-N 1 1 382.327 4.044 20 0 GIADMO COc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459775470 823263570 /nfs/dbraw/zinc/26/35/70/823263570.db2.gz QHNJXHILFSZFHE-GOSISDBHSA-N 1 1 399.560 4.403 20 0 GIADMO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1-c1ncco1 ZINC000571974641 823263695 /nfs/dbraw/zinc/26/36/95/823263695.db2.gz LFVYTBQLWCXJTQ-LJQANCHMSA-N 1 1 390.487 4.388 20 0 GIADMO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1-c1ncco1 ZINC000571974638 823263892 /nfs/dbraw/zinc/26/38/92/823263892.db2.gz LFVYTBQLWCXJTQ-IBGZPJMESA-N 1 1 390.487 4.388 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1)c1ccco1 ZINC000121862111 823265346 /nfs/dbraw/zinc/26/53/46/823265346.db2.gz XOHLCWXNJIVHPI-MSOLQXFVSA-N 1 1 385.439 4.337 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCc2cnc(SC3CCCC3)nc2)c2ncc[nH]2)cc1 ZINC000571986628 823265916 /nfs/dbraw/zinc/26/59/16/823265916.db2.gz ZWELQFABCCOPIU-IBGZPJMESA-N 1 1 397.523 4.295 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1F ZINC000409631586 823267327 /nfs/dbraw/zinc/26/73/27/823267327.db2.gz PDLBLCHZWSBPCI-LBPRGKRZSA-N 1 1 399.495 4.223 20 0 GIADMO C[C@@H]1C[N@H+](CCCCNC(=O)CC(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000176695616 823269864 /nfs/dbraw/zinc/26/98/64/823269864.db2.gz UXABJPLAHWTYDB-OYRHEFFESA-N 1 1 394.559 4.214 20 0 GIADMO CCN(Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(Cl)cc2)c1=S)C1CC1 ZINC000121888531 823270600 /nfs/dbraw/zinc/27/06/00/823270600.db2.gz KQOMNUCVFDVEOQ-ZDUSSCGKSA-N 1 1 379.961 4.121 20 0 GIADMO O=C(N[C@H](c1cccc(F)c1)c1ccccn1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000121896852 823272159 /nfs/dbraw/zinc/27/21/59/823272159.db2.gz KZEGQRWARNFDDB-PGRDOPGGSA-N 1 1 381.495 4.081 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccccc2OC2CCCCC2)CC1 ZINC000121909758 823275041 /nfs/dbraw/zinc/27/50/41/823275041.db2.gz JHKVXMWWURVORA-UHFFFAOYSA-N 1 1 381.520 4.227 20 0 GIADMO CC1=NN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000176724041 823278091 /nfs/dbraw/zinc/27/80/91/823278091.db2.gz RTGLBNKTRUBGMM-DENIHFKCSA-N 1 1 390.531 4.056 20 0 GIADMO CC(C)(CO)[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccs1 ZINC000572079765 823279327 /nfs/dbraw/zinc/27/93/27/823279327.db2.gz PXPLYYQPOMJOLV-NRFANRHFSA-N 1 1 399.535 4.411 20 0 GIADMO CSC[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000572061785 823276338 /nfs/dbraw/zinc/27/63/38/823276338.db2.gz BCMPWWMILGSZBN-QNBCLJFBSA-N 1 1 396.000 4.305 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000460023454 823280122 /nfs/dbraw/zinc/28/01/22/823280122.db2.gz PKYZVJMHUDQQLA-RYUDHWBXSA-N 1 1 381.398 4.342 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000460027485 823280763 /nfs/dbraw/zinc/28/07/63/823280763.db2.gz SJLXCRKLKJLLFZ-DGCLKSJQSA-N 1 1 379.382 4.143 20 0 GIADMO Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000121940729 823281314 /nfs/dbraw/zinc/28/13/14/823281314.db2.gz LJSDUEWISHPXOA-UHFFFAOYSA-N 1 1 378.307 4.182 20 0 GIADMO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000121940729 823281317 /nfs/dbraw/zinc/28/13/17/823281317.db2.gz LJSDUEWISHPXOA-UHFFFAOYSA-N 1 1 378.307 4.182 20 0 GIADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000409683648 823282187 /nfs/dbraw/zinc/28/21/87/823282187.db2.gz CSZRFCGRUDHBSM-UHFFFAOYSA-N 1 1 394.302 4.147 20 0 GIADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)nc(C(F)F)n3C)C1 ZINC000409685346 823282488 /nfs/dbraw/zinc/28/24/88/823282488.db2.gz KOCYUEIIBJPPCJ-AWEZNQCLSA-N 1 1 392.494 4.141 20 0 GIADMO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000006976901 817732675 /nfs/dbraw/zinc/73/26/75/817732675.db2.gz HSXURIDQXBVMST-OAQYLSRUSA-N 1 1 386.467 4.364 20 0 GIADMO C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000006976901 817732682 /nfs/dbraw/zinc/73/26/82/817732682.db2.gz HSXURIDQXBVMST-OAQYLSRUSA-N 1 1 386.467 4.364 20 0 GIADMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c2cnn(C(C)C)c2n1 ZINC000121969683 823286467 /nfs/dbraw/zinc/28/64/67/823286467.db2.gz SJCJPVHRNYZYGC-UHFFFAOYSA-N 1 1 393.535 4.091 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2c(C)oc3ccccc32)CC1 ZINC000188695945 823287689 /nfs/dbraw/zinc/28/76/89/823287689.db2.gz RUICSOBJNQMCKU-UHFFFAOYSA-N 1 1 377.488 4.017 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1COCc2ccccc21 ZINC000572133231 823288237 /nfs/dbraw/zinc/28/82/37/823288237.db2.gz HDLZSYLELALBGK-MBSDFSHPSA-N 1 1 393.531 4.132 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(N[C@@H](C)C(=O)N3CCc4ccccc43)c2C1 ZINC000572141804 823289244 /nfs/dbraw/zinc/28/92/44/823289244.db2.gz BJEJKSYANBBWIS-ZWKOTPCHSA-N 1 1 377.532 4.436 20 0 GIADMO CCN(C(=O)Nc1ccc(-n2cccn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460130452 823290879 /nfs/dbraw/zinc/29/08/79/823290879.db2.gz LXLNXHMYXDADIK-QFIPXVFZSA-N 1 1 389.503 4.001 20 0 GIADMO C[N@H+]1CCCC12CCN(c1ccnc3c(Br)ccc(F)c13)CC2 ZINC000409723406 823290861 /nfs/dbraw/zinc/29/08/61/823290861.db2.gz SAUUPZJHHFRSNO-UHFFFAOYSA-N 1 1 378.289 4.201 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007421169 817837083 /nfs/dbraw/zinc/83/70/83/817837083.db2.gz MYIXLFHBYVGTIV-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000007421169 817837092 /nfs/dbraw/zinc/83/70/92/817837092.db2.gz MYIXLFHBYVGTIV-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO O=C(CCC(=O)c1ccccc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492157 817854185 /nfs/dbraw/zinc/85/41/85/817854185.db2.gz YQRILMFSVSVNGW-UHFFFAOYSA-N 1 1 384.907 4.084 20 0 GIADMO Cn1ncc(Br)c1C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000572166864 823293443 /nfs/dbraw/zinc/29/34/43/823293443.db2.gz KPZWGQNPEINYPM-UHFFFAOYSA-N 1 1 391.288 4.183 20 0 GIADMO COc1ccc([C@H]([NH2+]C[C@H](O)C(F)(F)F)c2ccc(C(F)(F)F)cc2)cc1 ZINC000122020323 823294257 /nfs/dbraw/zinc/29/42/57/823294257.db2.gz LDALAIMGFNGGSJ-JKSUJKDBSA-N 1 1 393.327 4.316 20 0 GIADMO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007554154 817868608 /nfs/dbraw/zinc/86/86/08/817868608.db2.gz PPERKKUEDSZVJB-KRWDZBQOSA-N 1 1 397.519 4.273 20 0 GIADMO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007554154 817868620 /nfs/dbraw/zinc/86/86/20/817868620.db2.gz PPERKKUEDSZVJB-KRWDZBQOSA-N 1 1 397.519 4.273 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000572184626 823296214 /nfs/dbraw/zinc/29/62/14/823296214.db2.gz DLNIRARSGAEQRW-QGZVFWFLSA-N 1 1 383.511 4.494 20 0 GIADMO COCCCOc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000572186073 823296561 /nfs/dbraw/zinc/29/65/61/823296561.db2.gz LFRVGKIFSITSCB-BKFWDETESA-N 1 1 394.559 4.387 20 0 GIADMO COCCCOc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000572186073 823296563 /nfs/dbraw/zinc/29/65/63/823296563.db2.gz LFRVGKIFSITSCB-BKFWDETESA-N 1 1 394.559 4.387 20 0 GIADMO C[C@@H](NC(=O)NCC1CCC(F)(F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409742779 823296813 /nfs/dbraw/zinc/29/68/13/823296813.db2.gz SPIKAUHXXJHHPG-VQIMIIECSA-N 1 1 379.495 4.022 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ncoc1-c1ccccc1Cl ZINC000460146734 823296957 /nfs/dbraw/zinc/29/69/57/823296957.db2.gz FPYALVUGFZKQFS-MRXNPFEDSA-N 1 1 395.890 4.342 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ncoc1-c1ccccc1Cl ZINC000460146734 823296960 /nfs/dbraw/zinc/29/69/60/823296960.db2.gz FPYALVUGFZKQFS-MRXNPFEDSA-N 1 1 395.890 4.342 20 0 GIADMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)nc1 ZINC000122037621 823297267 /nfs/dbraw/zinc/29/72/67/823297267.db2.gz QKCVIIYJAOHIDG-UHFFFAOYSA-N 1 1 393.409 4.139 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)NCCc2cccc3[nH]ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000409759225 823300671 /nfs/dbraw/zinc/30/06/71/823300671.db2.gz RSQWHQNLLOMNEH-SFTDATJTSA-N 1 1 396.922 4.108 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NCCc2cccc3[nH]ccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000409759225 823300678 /nfs/dbraw/zinc/30/06/78/823300678.db2.gz RSQWHQNLLOMNEH-SFTDATJTSA-N 1 1 396.922 4.108 20 0 GIADMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c(Br)c1 ZINC000007788407 817914685 /nfs/dbraw/zinc/91/46/85/817914685.db2.gz MQNBIBHYIBDCFZ-UHFFFAOYSA-N 1 1 391.284 4.500 20 0 GIADMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c(Br)c1 ZINC000007788407 817914690 /nfs/dbraw/zinc/91/46/90/817914690.db2.gz MQNBIBHYIBDCFZ-UHFFFAOYSA-N 1 1 391.284 4.500 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(OC[C@H]4CCCO4)CC3)o2)cc1C ZINC000122062899 823300854 /nfs/dbraw/zinc/30/08/54/823300854.db2.gz ZUJAIWUOWUZLRB-FXAWDEMLSA-N 1 1 385.508 4.074 20 0 GIADMO Cc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000007845071 817935879 /nfs/dbraw/zinc/93/58/79/817935879.db2.gz MOUSSCVVILVFEE-HNNXBMFYSA-N 1 1 375.310 4.067 20 0 GIADMO Cc1ccccc1C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000007845071 817935887 /nfs/dbraw/zinc/93/58/87/817935887.db2.gz MOUSSCVVILVFEE-HNNXBMFYSA-N 1 1 375.310 4.067 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](Cc3ccccc3)C(C)C)CC2)cs1 ZINC000188777723 823303322 /nfs/dbraw/zinc/30/33/22/823303322.db2.gz RWPYSGZZUDSJSL-NRFANRHFSA-N 1 1 399.604 4.295 20 0 GIADMO CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000122046429 823298221 /nfs/dbraw/zinc/29/82/21/823298221.db2.gz NJPSLCPTGIZBGD-UHFFFAOYSA-N 1 1 395.547 4.063 20 0 GIADMO C[N@H+](CCOc1cccc(Br)c1)CC(=O)Nc1ccccc1Cl ZINC000007912202 817956256 /nfs/dbraw/zinc/95/62/56/817956256.db2.gz LNLLPKDUNUNUDU-UHFFFAOYSA-N 1 1 397.700 4.052 20 0 GIADMO C[N@@H+](CCOc1cccc(Br)c1)CC(=O)Nc1ccccc1Cl ZINC000007912202 817956260 /nfs/dbraw/zinc/95/62/60/817956260.db2.gz LNLLPKDUNUNUDU-UHFFFAOYSA-N 1 1 397.700 4.052 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000572204011 823299575 /nfs/dbraw/zinc/29/95/75/823299575.db2.gz PXUQKIPMTBPLPY-FQEVSTJZSA-N 1 1 398.457 4.407 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1csc([C@@H]2CCCO2)n1 ZINC000122081601 823303098 /nfs/dbraw/zinc/30/30/98/823303098.db2.gz UXRMNJUBAPUGKN-HNNXBMFYSA-N 1 1 392.550 4.079 20 0 GIADMO CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460169778 823304503 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CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000011365894 818075130 /nfs/dbraw/zinc/07/51/30/818075130.db2.gz IEQLQABQDVOIHY-UHFFFAOYSA-N 1 1 393.483 4.321 20 0 GIADMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(OC)c(OC)c1 ZINC000011365629 818075155 /nfs/dbraw/zinc/07/51/55/818075155.db2.gz LFWRJVYEWNIQEL-UHFFFAOYSA-N 1 1 397.302 4.471 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(OC)c(OC)c1 ZINC000011365629 818075159 /nfs/dbraw/zinc/07/51/59/818075159.db2.gz LFWRJVYEWNIQEL-UHFFFAOYSA-N 1 1 397.302 4.471 20 0 GIADMO Cc1ccc(OCC[N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000011475751 818085231 /nfs/dbraw/zinc/08/52/31/818085231.db2.gz QNGOUMALOLEWLU-QHCPKHFHSA-N 1 1 394.540 4.273 20 0 GIADMO Cc1ccc(OCC[N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000011475751 818085236 /nfs/dbraw/zinc/08/52/36/818085236.db2.gz QNGOUMALOLEWLU-QHCPKHFHSA-N 1 1 394.540 4.273 20 0 GIADMO C[N@H+](CCOc1ccc(F)cc1)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000011474796 818085350 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CC(C)[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000016345392 818426795 /nfs/dbraw/zinc/42/67/95/818426795.db2.gz JYXJXZJWLZRWQM-UUOWRZLLSA-N 1 1 396.531 4.354 20 0 GIADMO O=C(CC[N@@H+](Cc1ccco1)Cc1cccs1)NC(=O)Nc1ccccc1 ZINC000016350205 818427729 /nfs/dbraw/zinc/42/77/29/818427729.db2.gz CMEJSNXIRUDRBI-UHFFFAOYSA-N 1 1 383.473 4.082 20 0 GIADMO CCOc1ccc(C[N@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 ZINC000016373122 818429920 /nfs/dbraw/zinc/42/99/20/818429920.db2.gz YCAHUNVAZZCPKR-QGZVFWFLSA-N 1 1 384.545 4.435 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 ZINC000016373122 818429925 /nfs/dbraw/zinc/42/99/25/818429925.db2.gz YCAHUNVAZZCPKR-QGZVFWFLSA-N 1 1 384.545 4.435 20 0 GIADMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](C)Cc2ccc(C(C)C)cc2)c1 ZINC000016376032 818430834 /nfs/dbraw/zinc/43/08/34/818430834.db2.gz FJOJRDXCMYIYIS-KRWDZBQOSA-N 1 1 384.520 4.136 20 0 GIADMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)cc2)c1 ZINC000016376032 818430840 /nfs/dbraw/zinc/43/08/40/818430840.db2.gz FJOJRDXCMYIYIS-KRWDZBQOSA-N 1 1 384.520 4.136 20 0 GIADMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000016377888 818431490 /nfs/dbraw/zinc/43/14/90/818431490.db2.gz GKXXERSZLQWGLS-AWEZNQCLSA-N 1 1 378.419 4.064 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000016377888 818431494 /nfs/dbraw/zinc/43/14/94/818431494.db2.gz GKXXERSZLQWGLS-AWEZNQCLSA-N 1 1 378.419 4.064 20 0 GIADMO COc1cc(C[N@H+](CC(=O)NC2CCCCCC2)C2CC2)ccc1OC(F)F ZINC000016423893 818440988 /nfs/dbraw/zinc/44/09/88/818440988.db2.gz GGZQPICMRNXYIV-UHFFFAOYSA-N 1 1 396.478 4.100 20 0 GIADMO COc1cc(C[N@@H+](CC(=O)NC2CCCCCC2)C2CC2)ccc1OC(F)F ZINC000016423893 818440995 /nfs/dbraw/zinc/44/09/95/818440995.db2.gz GGZQPICMRNXYIV-UHFFFAOYSA-N 1 1 396.478 4.100 20 0 GIADMO Fc1ccc(Cn2cc(CNC[C@H](c3cccs3)[NH+]3CCCC3)cn2)cc1 ZINC000188982387 823338043 /nfs/dbraw/zinc/33/80/43/823338043.db2.gz YAJJKHNXXQMZKJ-HXUWFJFHSA-N 1 1 384.524 4.059 20 0 GIADMO CCN(CC)c1nc2sc(C(=O)N(C)[C@H]3CC[N@@H+](CC)C[C@H]3C)cc2s1 ZINC000122327941 823338719 /nfs/dbraw/zinc/33/87/19/823338719.db2.gz GQTTURKZRUCWPX-KGLIPLIRSA-N 1 1 394.610 4.006 20 0 GIADMO CC[C@@H](C)[N@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)Cc1ccccc1 ZINC000176987112 823343126 /nfs/dbraw/zinc/34/31/26/823343126.db2.gz UWIBYRNUPGFWRE-OAHLLOKOSA-N 1 1 396.560 4.321 20 0 GIADMO CC[C@@H](C)[N@@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)Cc1ccccc1 ZINC000176987112 823343130 /nfs/dbraw/zinc/34/31/30/823343130.db2.gz UWIBYRNUPGFWRE-OAHLLOKOSA-N 1 1 396.560 4.321 20 0 GIADMO COc1ccc(NC(=O)c2nnc(C[N@@H+]3CCC[C@@H]3CC(C)(C)C)s2)cc1 ZINC000057863247 823343202 /nfs/dbraw/zinc/34/32/02/823343202.db2.gz KELIGKXCHSLOTB-OAHLLOKOSA-N 1 1 388.537 4.200 20 0 GIADMO COc1ccc(NC(=O)c2nnc(C[N@H+]3CCC[C@@H]3CC(C)(C)C)s2)cc1 ZINC000057863247 823343210 /nfs/dbraw/zinc/34/32/10/823343210.db2.gz KELIGKXCHSLOTB-OAHLLOKOSA-N 1 1 388.537 4.200 20 0 GIADMO CCc1ccc2c(C[N@@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1 ZINC000017306002 818507142 /nfs/dbraw/zinc/50/71/42/818507142.db2.gz DEUDBQZMJPHQQL-INIZCTEOSA-N 1 1 388.471 4.129 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(CNCCC[N@H+]3CCCC[C@H]3C)c2)cc1 ZINC000017317821 818509281 /nfs/dbraw/zinc/50/92/81/818509281.db2.gz VTRXUZDZGLMSTD-LJQANCHMSA-N 1 1 395.547 4.302 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000409915330 823343261 /nfs/dbraw/zinc/34/32/61/823343261.db2.gz JBOZVLZVUOZJML-IFMALSPDSA-N 1 1 394.506 4.202 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC2CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000409915330 823343267 /nfs/dbraw/zinc/34/32/67/823343267.db2.gz JBOZVLZVUOZJML-IFMALSPDSA-N 1 1 394.506 4.202 20 0 GIADMO Cc1c(C[N@@H+](C)Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cnn1C ZINC000572452146 823342218 /nfs/dbraw/zinc/34/22/18/823342218.db2.gz DQROOMBFYUWYTO-HNNXBMFYSA-N 1 1 395.347 4.233 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)Cc2nn(C)c3ccccc23)c1 ZINC000572473272 823346079 /nfs/dbraw/zinc/34/60/79/823346079.db2.gz WLZQKBZDIRSWDK-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/59/47/32/818594732.db2.gz DJVFXOOQDNCCFU-UHFFFAOYSA-N 1 1 383.236 4.188 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)cn1 ZINC000057993388 823353770 /nfs/dbraw/zinc/35/37/70/823353770.db2.gz BUKPMUYPOZGHQN-FQEVSTJZSA-N 1 1 381.524 4.220 20 0 GIADMO C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000460323610 823353782 /nfs/dbraw/zinc/35/37/82/823353782.db2.gz HVIKSTKJQSMAAA-CTNGQTDRSA-N 1 1 377.532 4.018 20 0 GIADMO C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000460323613 823353806 /nfs/dbraw/zinc/35/38/06/823353806.db2.gz HVIKSTKJQSMAAA-TZIWHRDSSA-N 1 1 377.532 4.018 20 0 GIADMO O=C(NCc1coc2ccccc12)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460326938 823354584 /nfs/dbraw/zinc/35/45/84/823354584.db2.gz UQOVSDHSCWUUJT-CTNGQTDRSA-N 1 1 389.499 4.096 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(COc3cccc(F)c3)c2)[C@H](C)C1 ZINC000122441493 823354735 /nfs/dbraw/zinc/35/47/35/823354735.db2.gz AJRVWBNQPJNFOA-VGSWGCGISA-N 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KDDMCBWGIRANSM-KRWDZBQOSA-N 1 1 387.474 4.121 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)c2nnnn2C2CC2)CCC3)cc1 ZINC000189113521 823359338 /nfs/dbraw/zinc/35/93/38/823359338.db2.gz WYMQKKRHVPKAEY-CZUORRHYSA-N 1 1 380.521 4.168 20 0 GIADMO CC[N@@H+](CCNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000409977360 823360260 /nfs/dbraw/zinc/36/02/60/823360260.db2.gz FEBUFLWUMIQEBF-LBPRGKRZSA-N 1 1 384.364 4.199 20 0 GIADMO O=C(C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1)N1CCCCCC1 ZINC000022056255 818767772 /nfs/dbraw/zinc/76/77/72/818767772.db2.gz GCGLJFVIBFXSHU-UHFFFAOYSA-N 1 1 385.483 4.095 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000022085355 818770217 /nfs/dbraw/zinc/77/02/17/818770217.db2.gz SQLNAPXODDERJR-YYWHXJBOSA-N 1 1 386.536 4.022 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000022085355 818770227 /nfs/dbraw/zinc/77/02/27/818770227.db2.gz SQLNAPXODDERJR-YYWHXJBOSA-N 1 1 386.536 4.022 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1OC ZINC000022198517 818782170 /nfs/dbraw/zinc/78/21/70/818782170.db2.gz KVFCGMDFIXYMAY-UHFFFAOYSA-N 1 1 397.302 4.471 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)C(C)(C)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000409993131 823365054 /nfs/dbraw/zinc/36/50/54/823365054.db2.gz NHRXFHFOKASNPI-OFNKIYASSA-N 1 1 394.559 4.399 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)cc1)C[C@H]1CCCCO1 ZINC000409998545 823367389 /nfs/dbraw/zinc/36/73/89/823367389.db2.gz MNMFCYLFUOERPS-XHIHJMKYSA-N 1 1 388.552 4.218 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cccc(N3CC=CC3)c2)cc1 ZINC000460368720 823366096 /nfs/dbraw/zinc/36/60/96/823366096.db2.gz ITRWQCDIJWFOKL-UHFFFAOYSA-N 1 1 377.532 4.225 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(NCC(C)(C)C)c2C)cn1 ZINC000177089499 823368726 /nfs/dbraw/zinc/36/87/26/823368726.db2.gz VULGTFLPDFBGGA-UHFFFAOYSA-N 1 1 391.519 4.272 20 0 GIADMO COc1ccc(C)cc1C[NH+]1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000022911522 818875621 /nfs/dbraw/zinc/87/56/21/818875621.db2.gz OISOFWVMJVPMDU-UHFFFAOYSA-N 1 1 397.544 4.346 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(C)cc(C)c2Br)cn1 ZINC000122548476 823370729 /nfs/dbraw/zinc/37/07/29/823370729.db2.gz XKVQNLGAACMKPC-UHFFFAOYSA-N 1 1 385.265 4.207 20 0 GIADMO Cn1c2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc2nc1C(F)F ZINC000410012530 823371150 /nfs/dbraw/zinc/37/11/50/823371150.db2.gz XHJYHGKBCIVLTO-UHFFFAOYSA-N 1 1 392.837 4.478 20 0 GIADMO CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000122555153 823371716 /nfs/dbraw/zinc/37/17/16/823371716.db2.gz LMZVUUNNKKXFCB-UXHICEINSA-N 1 1 377.598 4.342 20 0 GIADMO CC(C)c1ccc([C@@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c2cccs2)cc1 ZINC000177103394 823371839 /nfs/dbraw/zinc/37/18/39/823371839.db2.gz RZQMGJWUQLCWNF-TZIWHRDSSA-N 1 1 394.544 4.090 20 0 GIADMO CC(C)c1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cnn1-c1ccccc1Cl ZINC000189187135 823372529 /nfs/dbraw/zinc/37/25/29/823372529.db2.gz BGWNMVYXQMOEMM-CABCVRRESA-N 1 1 386.927 4.004 20 0 GIADMO Cc1ccccc1-n1cc(C[NH2+]Cc2cccc(COc3ccccc3)c2)nn1 ZINC000572638480 823372940 /nfs/dbraw/zinc/37/29/40/823372940.db2.gz HHSIUEKEKFUNTI-UHFFFAOYSA-N 1 1 384.483 4.445 20 0 GIADMO Cc1ccc(SCCNC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023355577 818927021 /nfs/dbraw/zinc/92/70/21/818927021.db2.gz ZUJRUQLNLOKQLE-HNNXBMFYSA-N 1 1 378.488 4.175 20 0 GIADMO Cc1ccc(SCCNC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000023355577 818927027 /nfs/dbraw/zinc/92/70/27/818927027.db2.gz ZUJRUQLNLOKQLE-HNNXBMFYSA-N 1 1 378.488 4.175 20 0 GIADMO CN(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460406198 823378552 /nfs/dbraw/zinc/37/85/52/823378552.db2.gz REIOAYOXXQXMAQ-YESZJQIVSA-N 1 1 375.479 4.013 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccco3)nc3ccccc32)[C@H](C)C1 ZINC000122574786 823375468 /nfs/dbraw/zinc/37/54/68/823375468.db2.gz MQZXJNWUWMCXCT-IIBYNOLFSA-N 1 1 377.488 4.297 20 0 GIADMO Cc1cccc(C[N@@H+](CCC(=O)Nc2cc(N)ccc2F)Cc2ccccn2)c1 ZINC000177121270 823376213 /nfs/dbraw/zinc/37/62/13/823376213.db2.gz VMHRSQNUGPHCSQ-UHFFFAOYSA-N 1 1 392.478 4.142 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)cs2)c1 ZINC000177130895 823378615 /nfs/dbraw/zinc/37/86/15/823378615.db2.gz MQYDLQGKXRHCCY-MJGOQNOKSA-N 1 1 384.501 4.500 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)cs2)c1 ZINC000177130895 823378617 /nfs/dbraw/zinc/37/86/17/823378617.db2.gz MQYDLQGKXRHCCY-MJGOQNOKSA-N 1 1 384.501 4.500 20 0 GIADMO C[N@@H+]1CCc2[nH]c(=NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1 ZINC000023608135 818964604 /nfs/dbraw/zinc/96/46/04/818964604.db2.gz KQGLEYWVCKTYCO-UHFFFAOYSA-N 1 1 398.340 4.327 20 0 GIADMO C[N@H+]1CCc2[nH]c(=NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1 ZINC000023608135 818964609 /nfs/dbraw/zinc/96/46/09/818964609.db2.gz KQGLEYWVCKTYCO-UHFFFAOYSA-N 1 1 398.340 4.327 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](c3ccccc3)C3CCC3)cs2)c1C ZINC000177122556 823376784 /nfs/dbraw/zinc/37/67/84/823376784.db2.gz PPXALRBSKKOHQH-HXUWFJFHSA-N 1 1 394.544 4.152 20 0 GIADMO Cc1ccc(SCc2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)c(C)c1 ZINC000023731809 818976560 /nfs/dbraw/zinc/97/65/60/818976560.db2.gz VVAYLLKEJRWDJA-UHFFFAOYSA-N 1 1 398.572 4.048 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000177127987 823378004 /nfs/dbraw/zinc/37/80/04/823378004.db2.gz JJQNOCFHUMFASH-DYESRHJHSA-N 1 1 391.515 4.380 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCC(=O)c2ccc3ccccc3c2)C1 ZINC000058316473 823378038 /nfs/dbraw/zinc/37/80/38/823378038.db2.gz NUNLSFRAZDRKSJ-KDURUIRLSA-N 1 1 380.532 4.287 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(OCc3ccccc3)c(OC)c2)[C@H](C)C1 ZINC000122565664 823373778 /nfs/dbraw/zinc/37/37/78/823373778.db2.gz GBGVREPWIKMRLZ-NQIIRXRSSA-N 1 1 396.531 4.077 20 0 GIADMO FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCCO4)CC3)n2)c1 ZINC000189233925 823379407 /nfs/dbraw/zinc/37/94/07/823379407.db2.gz CSRMBFONAZMQFZ-INIZCTEOSA-N 1 1 381.398 4.146 20 0 GIADMO C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000572675010 823380310 /nfs/dbraw/zinc/38/03/10/823380310.db2.gz BZWZQTUSXHTKJD-KBPBESRZSA-N 1 1 376.451 4.492 20 0 GIADMO COCc1cccc(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410055989 823381484 /nfs/dbraw/zinc/38/14/84/823381484.db2.gz XLFDPPACXJHXSQ-JOCHJYFZSA-N 1 1 380.532 4.036 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000177143648 823381722 /nfs/dbraw/zinc/38/17/22/823381722.db2.gz LPFXDRGCCMDMFN-LJQANCHMSA-N 1 1 386.923 4.229 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000177143648 823381727 /nfs/dbraw/zinc/38/17/27/823381727.db2.gz LPFXDRGCCMDMFN-LJQANCHMSA-N 1 1 386.923 4.229 20 0 GIADMO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1C(C)C ZINC000189270162 823384138 /nfs/dbraw/zinc/38/41/38/823384138.db2.gz OXAGTIHLRJJLCG-LJQANCHMSA-N 1 1 382.552 4.012 20 0 GIADMO C[C@@H](NC(=O)C(C)(C)COCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000410076569 823384896 /nfs/dbraw/zinc/38/48/96/823384896.db2.gz PQMWMAJIYNXSJS-OFNKIYASSA-N 1 1 394.559 4.256 20 0 GIADMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000572708275 823386671 /nfs/dbraw/zinc/38/66/71/823386671.db2.gz CELWEYBHRURIEM-ZDUSSCGKSA-N 1 1 383.970 4.058 20 0 GIADMO CC(C)c1ccc(CNc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000122646568 823387296 /nfs/dbraw/zinc/38/72/96/823387296.db2.gz CPLHHTSPQIZXHT-UHFFFAOYSA-N 1 1 399.510 4.222 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCCC4(CCCCC4)C3)cs2)c1C ZINC000177163064 823387792 /nfs/dbraw/zinc/38/77/92/823387792.db2.gz UVENQSKJTNCFDS-UHFFFAOYSA-N 1 1 386.565 4.067 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177166902 823389274 /nfs/dbraw/zinc/38/92/74/823389274.db2.gz VJMYVLYZGPWHAS-GFCCVEGCSA-N 1 1 378.385 4.149 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000177166902 823389278 /nfs/dbraw/zinc/38/92/78/823389278.db2.gz VJMYVLYZGPWHAS-GFCCVEGCSA-N 1 1 378.385 4.149 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cs1 ZINC000177164207 823388312 /nfs/dbraw/zinc/38/83/12/823388312.db2.gz SCIDMIASCOHASZ-UKRRQHHQSA-N 1 1 387.574 4.099 20 0 GIADMO C[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)CC1(c2ccccc2)CC1 ZINC000189321360 823393629 /nfs/dbraw/zinc/39/36/29/823393629.db2.gz MYQIWYKNRZPMCF-NRFANRHFSA-N 1 1 391.540 4.012 20 0 GIADMO CN(C(=O)Nc1ccsc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000189300202 823389977 /nfs/dbraw/zinc/38/99/77/823389977.db2.gz LSFWEZALVMRCBX-SJORKVTESA-N 1 1 399.004 4.202 20 0 GIADMO O=C([C@H]1CCC[N@H+]1C1CC1)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000410099239 823390855 /nfs/dbraw/zinc/39/08/55/823390855.db2.gz ZWDRFKZXIWWTEP-QGZVFWFLSA-N 1 1 384.417 4.119 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000189323990 823394191 /nfs/dbraw/zinc/39/41/91/823394191.db2.gz CQVXMJBPBJCYFX-OAHLLOKOSA-N 1 1 378.451 4.211 20 0 GIADMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2c1 ZINC000122686608 823394639 /nfs/dbraw/zinc/39/46/39/823394639.db2.gz OCVLOLFQOXWISL-MJGOQNOKSA-N 1 1 388.515 4.160 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCC[C@H](C(C)(C)C)CC3)cs2)c1C ZINC000177189134 823394856 /nfs/dbraw/zinc/39/48/56/823394856.db2.gz GWCIGGLFWOGHJH-INIZCTEOSA-N 1 1 388.581 4.169 20 0 GIADMO C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000460459852 823396872 /nfs/dbraw/zinc/39/68/72/823396872.db2.gz LKEXOQYQDVCKIC-HNNXBMFYSA-N 1 1 382.401 4.237 20 0 GIADMO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000410130993 823398186 /nfs/dbraw/zinc/39/81/86/823398186.db2.gz AXSYHMVAADUZCB-GOEBONIOSA-N 1 1 393.314 4.151 20 0 GIADMO CCN(CC)C(=O)C1CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000058524309 823403810 /nfs/dbraw/zinc/40/38/10/823403810.db2.gz RVIVTKZODHPXER-CQSZACIVSA-N 1 1 378.467 4.073 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(CC)CC)CC1 ZINC000058524717 823403852 /nfs/dbraw/zinc/40/38/52/823403852.db2.gz VCOPMNMWEDXINK-ZWKOTPCHSA-N 1 1 387.568 4.108 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2COc3cccc(Cl)c32)cc1 ZINC000460477306 823402129 /nfs/dbraw/zinc/40/21/29/823402129.db2.gz SKBNSBDJLYNYFX-ACJLOTCBSA-N 1 1 396.878 4.328 20 0 GIADMO O=C(CCOCc1ccccc1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572807384 823402769 /nfs/dbraw/zinc/40/27/69/823402769.db2.gz WXESWIIQKNKZDF-HSZRJFAPSA-N 1 1 380.532 4.012 20 0 GIADMO CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000058524532 823403964 /nfs/dbraw/zinc/40/39/64/823403964.db2.gz VOCCSSQWKHQJHJ-GOSISDBHSA-N 1 1 387.568 4.026 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2c3ccccc3O[C@H]2C)cc1 ZINC000460479261 823403238 /nfs/dbraw/zinc/40/32/38/823403238.db2.gz AVLVCKBPCMODPR-GXZWQRSESA-N 1 1 376.460 4.063 20 0 GIADMO COCC1(CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCCCC1 ZINC000460480892 823403415 /nfs/dbraw/zinc/40/34/15/823403415.db2.gz PQOJTZJNBYLQKH-QGZVFWFLSA-N 1 1 384.524 4.138 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(C)cc(C)c1Br ZINC000122739183 823403412 /nfs/dbraw/zinc/40/34/12/823403412.db2.gz QIUJJLAKPQMFBF-UHFFFAOYSA-N 1 1 385.265 4.207 20 0 GIADMO COc1cccc([C@H](C)CC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000177236316 823406731 /nfs/dbraw/zinc/40/67/31/823406731.db2.gz HKKSWUNZOBQXLO-MSOLQXFVSA-N 1 1 382.504 4.221 20 0 GIADMO COc1cccc([C@@H](C)CC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000177236277 823406819 /nfs/dbraw/zinc/40/68/19/823406819.db2.gz HKKSWUNZOBQXLO-ZWKOTPCHSA-N 1 1 382.504 4.221 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000058575454 823411690 /nfs/dbraw/zinc/41/16/90/823411690.db2.gz PYYOVRURRASEFN-KBXCAEBGSA-N 1 1 397.357 4.223 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000058575454 823411693 /nfs/dbraw/zinc/41/16/93/823411693.db2.gz PYYOVRURRASEFN-KBXCAEBGSA-N 1 1 397.357 4.223 20 0 GIADMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1OC1CCCC1 ZINC000410177625 823411815 /nfs/dbraw/zinc/41/18/15/823411815.db2.gz ZGAAKPZWDPEJHO-OAQYLSRUSA-N 1 1 394.515 4.146 20 0 GIADMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1OC1CCCC1 ZINC000410177625 823411818 /nfs/dbraw/zinc/41/18/18/823411818.db2.gz ZGAAKPZWDPEJHO-OAQYLSRUSA-N 1 1 394.515 4.146 20 0 GIADMO C[N@@H+](CCCc1ccccc1)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000058580797 823412152 /nfs/dbraw/zinc/41/21/52/823412152.db2.gz BOHFGDYNYOCEHH-UHFFFAOYSA-N 1 1 388.895 4.004 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000410169305 823409338 /nfs/dbraw/zinc/40/93/38/823409338.db2.gz DRQOUXJBKJXEAB-INIZCTEOSA-N 1 1 387.474 4.339 20 0 GIADMO Brc1ccc(C[N@@H+](CCn2ccnc2)C[C@@H]2Cc3ccccc32)o1 ZINC000572886927 823414085 /nfs/dbraw/zinc/41/40/85/823414085.db2.gz FNUKVHQXKOHNFL-INIZCTEOSA-N 1 1 386.293 4.081 20 0 GIADMO C[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(Cl)cc1Cl ZINC000122799085 823414333 /nfs/dbraw/zinc/41/43/33/823414333.db2.gz CVDZBMSSGQARAK-ZDUSSCGKSA-N 1 1 395.334 4.452 20 0 GIADMO C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1-n1cccn1 ZINC000177267332 823415046 /nfs/dbraw/zinc/41/50/46/823415046.db2.gz ZXUVLRCXYASJIZ-CVDCTZTESA-N 1 1 388.515 4.277 20 0 GIADMO CC(C)COC1CC[NH+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000122806460 823415813 /nfs/dbraw/zinc/41/58/13/823415813.db2.gz ZLKWXMDPOCSQQD-QGZVFWFLSA-N 1 1 393.597 4.334 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C3CC3)CC2)[C@H]1c1cccs1 ZINC000460525104 823419228 /nfs/dbraw/zinc/41/92/28/823419228.db2.gz HOLXIFOBIPBJKA-APWZRJJASA-N 1 1 375.582 4.353 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000410197097 823416889 /nfs/dbraw/zinc/41/68/89/823416889.db2.gz WNHVWOJRFYOYPQ-GOSISDBHSA-N 1 1 383.536 4.302 20 0 GIADMO Brc1ccc(C[N@@H+](CCn2ccnc2)C[C@H]2Cc3ccccc32)o1 ZINC000572886928 823414065 /nfs/dbraw/zinc/41/40/65/823414065.db2.gz FNUKVHQXKOHNFL-MRXNPFEDSA-N 1 1 386.293 4.081 20 0 GIADMO Cc1ccc(C[C@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000460528933 823420984 /nfs/dbraw/zinc/42/09/84/823420984.db2.gz NUMQITCJZKCZFX-WMQCIHAUSA-N 1 1 397.588 4.151 20 0 GIADMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189487703 823428419 /nfs/dbraw/zinc/42/84/19/823428419.db2.gz CBQBFRAFXGZWLK-OXJNMPFZSA-N 1 1 392.971 4.387 20 0 GIADMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189487703 823428422 /nfs/dbraw/zinc/42/84/22/823428422.db2.gz CBQBFRAFXGZWLK-OXJNMPFZSA-N 1 1 392.971 4.387 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000122894843 823430378 /nfs/dbraw/zinc/43/03/78/823430378.db2.gz FUQKNCZYJXTFOR-MRXNPFEDSA-N 1 1 378.501 4.056 20 0 GIADMO CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000460554664 823430442 /nfs/dbraw/zinc/43/04/42/823430442.db2.gz ZSUJQDYBHDADMF-QRVBRYPASA-N 1 1 393.959 4.074 20 0 GIADMO CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000460554664 823430447 /nfs/dbraw/zinc/43/04/47/823430447.db2.gz ZSUJQDYBHDADMF-QRVBRYPASA-N 1 1 393.959 4.074 20 0 GIADMO CCOc1cc(C[NH2+]Cc2ccc(Br)o2)ccc1OC(F)F ZINC000189504647 823432779 /nfs/dbraw/zinc/43/27/79/823432779.db2.gz NPJYGANYTJNQES-UHFFFAOYSA-N 1 1 376.197 4.332 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000024667905 819862521 /nfs/dbraw/zinc/86/25/21/819862521.db2.gz IGEOIARJMWPYRO-JKSUJKDBSA-N 1 1 379.460 4.043 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024667848 819863124 /nfs/dbraw/zinc/86/31/24/819863124.db2.gz ROUAPSPWVWENBI-IAGOWNOFSA-N 1 1 393.487 4.351 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024667848 819863135 /nfs/dbraw/zinc/86/31/35/819863135.db2.gz ROUAPSPWVWENBI-IAGOWNOFSA-N 1 1 393.487 4.351 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)cc1OC ZINC000024801195 819878120 /nfs/dbraw/zinc/87/81/20/819878120.db2.gz HWXGLTTVPWCDEL-UHFFFAOYSA-N 1 1 391.895 4.459 20 0 GIADMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccc(-c4ccccc4)o3)c2)CC1 ZINC000189515312 823435356 /nfs/dbraw/zinc/43/53/56/823435356.db2.gz WCTFSMNYANGSKR-UHFFFAOYSA-N 1 1 389.499 4.223 20 0 GIADMO C[N@@H+](CCNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)C1CCCC1 ZINC000177331495 823436157 /nfs/dbraw/zinc/43/61/57/823436157.db2.gz UHFYYCYDCOXOPQ-UHFFFAOYSA-N 1 1 386.540 4.201 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc4ncccc43)cc2)C[C@@H](C)O1 ZINC000025048714 819915060 /nfs/dbraw/zinc/91/50/60/819915060.db2.gz DPPADVKFYPBCBI-IAGOWNOFSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000025056526 819916987 /nfs/dbraw/zinc/91/69/87/819916987.db2.gz SHMVFGGLIQRVAW-XHSDSOJGSA-N 1 1 388.458 4.065 20 0 GIADMO C[C@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000025056526 819916995 /nfs/dbraw/zinc/91/69/95/819916995.db2.gz SHMVFGGLIQRVAW-XHSDSOJGSA-N 1 1 388.458 4.065 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)C1 ZINC000189541770 823440535 /nfs/dbraw/zinc/44/05/35/823440535.db2.gz CKLCSJSVCRUJSE-SFHVURJKSA-N 1 1 385.474 4.129 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H](c3ccccc3)C3CC3)cc2)C[C@@H](C)O1 ZINC000025087410 819924611 /nfs/dbraw/zinc/92/46/11/819924611.db2.gz OQWHGRXGTWVNNP-PNCHPQGNSA-N 1 1 378.516 4.177 20 0 GIADMO CCCOc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000025092408 819926351 /nfs/dbraw/zinc/92/63/51/819926351.db2.gz RPVHXYLAQRIYEN-QZTJIDSGSA-N 1 1 382.504 4.337 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000025101876 819929095 /nfs/dbraw/zinc/92/90/95/819929095.db2.gz ZMSQESJGFRJXGA-OALUTQOASA-N 1 1 393.531 4.148 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)C[C@H](C)O1 ZINC000025114685 819931790 /nfs/dbraw/zinc/93/17/90/819931790.db2.gz XZCIGRXDJDFIKY-CALCHBBNSA-N 1 1 384.545 4.162 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)C[C@H](C)O1 ZINC000025114685 819931797 /nfs/dbraw/zinc/93/17/97/819931797.db2.gz XZCIGRXDJDFIKY-CALCHBBNSA-N 1 1 384.545 4.162 20 0 GIADMO COc1cc(C)c(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1OC ZINC000025183818 819939901 /nfs/dbraw/zinc/93/99/01/819939901.db2.gz WQTAVZIDIDBIMT-UHFFFAOYSA-N 1 1 394.515 4.069 20 0 GIADMO CCC(CC)n1nccc1C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000122967244 823441467 /nfs/dbraw/zinc/44/14/67/823441467.db2.gz AJHOKXCGHJEZKQ-HXUWFJFHSA-N 1 1 382.552 4.228 20 0 GIADMO COc1ccc(C)cc1C[NH+]1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000025353916 819968696 /nfs/dbraw/zinc/96/86/96/819968696.db2.gz BEFYVIFMMRIRHL-UHFFFAOYSA-N 1 1 383.517 4.038 20 0 GIADMO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)c(OC)cc1Cl ZINC000025441678 819980557 /nfs/dbraw/zinc/98/05/57/819980557.db2.gz WORBZXYUQNLZOP-INIZCTEOSA-N 1 1 388.895 4.003 20 0 GIADMO COCc1c2ccccc2oc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025459998 819985006 /nfs/dbraw/zinc/98/50/06/819985006.db2.gz HGZCWWBFDULOHX-UHFFFAOYSA-N 1 1 392.499 4.146 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000573067759 823443351 /nfs/dbraw/zinc/44/33/51/823443351.db2.gz QLTFCTFRVSAWRR-UHFFFAOYSA-N 1 1 381.476 4.179 20 0 GIADMO CC(C)[C@H](CNC(=O)c1ccc2ncsc2c1)[N@H+]1CCc2ccccc2C1 ZINC000025535903 819998877 /nfs/dbraw/zinc/99/88/77/819998877.db2.gz GINHQYOSCFIMIL-FQEVSTJZSA-N 1 1 379.529 4.109 20 0 GIADMO CC(C)[C@@H](CNC(=O)c1ccc2ncsc2c1)[N@H+]1CCc2ccccc2C1 ZINC000025535897 819998942 /nfs/dbraw/zinc/99/89/42/819998942.db2.gz GINHQYOSCFIMIL-HXUWFJFHSA-N 1 1 379.529 4.109 20 0 GIADMO CSCc1c2ccccc2oc1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000025630374 820008458 /nfs/dbraw/zinc/00/84/58/820008458.db2.gz HILKRSWQNDPLEK-INIZCTEOSA-N 1 1 394.540 4.472 20 0 GIADMO CSCc1c2ccccc2oc1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025630374 820008468 /nfs/dbraw/zinc/00/84/68/820008468.db2.gz HILKRSWQNDPLEK-INIZCTEOSA-N 1 1 394.540 4.472 20 0 GIADMO C[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000025633649 820009413 /nfs/dbraw/zinc/00/94/13/820009413.db2.gz XLZRYGUCIFRCTH-CQSZACIVSA-N 1 1 377.315 4.099 20 0 GIADMO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177370760 823447617 /nfs/dbraw/zinc/44/76/17/823447617.db2.gz LTPAUTXQJXAXKD-GOSISDBHSA-N 1 1 386.492 4.155 20 0 GIADMO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177370760 823447621 /nfs/dbraw/zinc/44/76/21/823447621.db2.gz LTPAUTXQJXAXKD-GOSISDBHSA-N 1 1 386.492 4.155 20 0 GIADMO Cc1nc2c(s1)[C@H](N(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)CCC2 ZINC000573101895 823447848 /nfs/dbraw/zinc/44/78/48/823447848.db2.gz PUEYXYHMTUHMFW-IAGOWNOFSA-N 1 1 377.941 4.244 20 0 GIADMO O=C(CC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)Nc1cccc(Cl)c1 ZINC000025934788 820041919 /nfs/dbraw/zinc/04/19/19/820041919.db2.gz ZEWFRACABWMYAC-UHFFFAOYSA-N 1 1 389.902 4.016 20 0 GIADMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)cc1 ZINC000026188311 820068303 /nfs/dbraw/zinc/06/83/03/820068303.db2.gz DJNCCRUZYQEELH-AWEZNQCLSA-N 1 1 391.309 4.307 20 0 GIADMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)cc1 ZINC000026188311 820068313 /nfs/dbraw/zinc/06/83/13/820068313.db2.gz DJNCCRUZYQEELH-AWEZNQCLSA-N 1 1 391.309 4.307 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2C)c(C(F)(F)F)c1 ZINC000026197778 820068457 /nfs/dbraw/zinc/06/84/57/820068457.db2.gz GEQYGZGSOFDBMU-UHFFFAOYSA-N 1 1 393.409 4.043 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2C)c(C(F)(F)F)c1 ZINC000026197778 820068465 /nfs/dbraw/zinc/06/84/65/820068465.db2.gz GEQYGZGSOFDBMU-UHFFFAOYSA-N 1 1 393.409 4.043 20 0 GIADMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000026208176 820068976 /nfs/dbraw/zinc/06/89/76/820068976.db2.gz GGYQZMBKICNMOO-GFCCVEGCSA-N 1 1 395.286 4.239 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000026208176 820068985 /nfs/dbraw/zinc/06/89/85/820068985.db2.gz GGYQZMBKICNMOO-GFCCVEGCSA-N 1 1 395.286 4.239 20 0 GIADMO COCCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189589377 823453432 /nfs/dbraw/zinc/45/34/32/823453432.db2.gz OOGSAWGXMICGAU-WIYYLYMNSA-N 1 1 381.520 4.050 20 0 GIADMO COc1ccccc1-c1nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(=S)n1C ZINC000026235264 820072499 /nfs/dbraw/zinc/07/24/99/820072499.db2.gz HBYCOSCPKSPFGA-GOSISDBHSA-N 1 1 394.544 4.291 20 0 GIADMO COc1ccccc1-c1nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c(=S)n1C ZINC000026235264 820072509 /nfs/dbraw/zinc/07/25/09/820072509.db2.gz HBYCOSCPKSPFGA-GOSISDBHSA-N 1 1 394.544 4.291 20 0 GIADMO S=c1n(CCc2cccs2)cnn1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000026237566 820072929 /nfs/dbraw/zinc/07/29/29/820072929.db2.gz JNMZTNSIPVXFEG-GOSISDBHSA-N 1 1 384.574 4.383 20 0 GIADMO S=c1n(CCc2cccs2)cnn1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000026237566 820072939 /nfs/dbraw/zinc/07/29/39/820072939.db2.gz JNMZTNSIPVXFEG-GOSISDBHSA-N 1 1 384.574 4.383 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000026322439 820082996 /nfs/dbraw/zinc/08/29/96/820082996.db2.gz DUSNWKHPHBWLLI-INIZCTEOSA-N 1 1 382.504 4.057 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000026322439 820083008 /nfs/dbraw/zinc/08/30/08/820083008.db2.gz DUSNWKHPHBWLLI-INIZCTEOSA-N 1 1 382.504 4.057 20 0 GIADMO CCCCn1nc(C)c(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1Cl ZINC000123050490 823453593 /nfs/dbraw/zinc/45/35/93/823453593.db2.gz JWRJRFHZMFOWHV-UHFFFAOYSA-N 1 1 388.943 4.039 20 0 GIADMO COC(=O)c1oc(C[N@H+](Cc2cccc(Br)c2)C2CC2)cc1C ZINC000026446925 820098089 /nfs/dbraw/zinc/09/80/89/820098089.db2.gz FZUSOOQFIJJRTP-UHFFFAOYSA-N 1 1 378.266 4.302 20 0 GIADMO COC(=O)c1oc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)cc1C ZINC000026446925 820098096 /nfs/dbraw/zinc/09/80/96/820098096.db2.gz FZUSOOQFIJJRTP-UHFFFAOYSA-N 1 1 378.266 4.302 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC(F)F ZINC000026452801 820098825 /nfs/dbraw/zinc/09/88/25/820098825.db2.gz LPYSGVHVLYZMEK-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC(F)F ZINC000026452801 820098834 /nfs/dbraw/zinc/09/88/34/820098834.db2.gz LPYSGVHVLYZMEK-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO COc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000026478437 820102538 /nfs/dbraw/zinc/10/25/38/820102538.db2.gz BWCSUIIYEJOLKH-OLZOCXBDSA-N 1 1 381.303 4.358 20 0 GIADMO COc1cccc([C@H](C)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000573140022 823453894 /nfs/dbraw/zinc/45/38/94/823453894.db2.gz XCHCMFTYHDUXFR-ROUUACIJSA-N 1 1 386.561 4.149 20 0 GIADMO c1ccc2c(c1)C[C@@H]1C[N@@H+](Cc3ccccc3OCc3ccncc3)CCCN21 ZINC000573146103 823455298 /nfs/dbraw/zinc/45/52/98/823455298.db2.gz LTEWXLUPOOCEAW-HSZRJFAPSA-N 1 1 385.511 4.298 20 0 GIADMO O[C@@H](COc1cccc2ccccc21)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000026715710 820136358 /nfs/dbraw/zinc/13/63/58/820136358.db2.gz JBHSPNZERZRRGX-UXHICEINSA-N 1 1 397.540 4.322 20 0 GIADMO Fc1cc(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000026724108 820136834 /nfs/dbraw/zinc/13/68/34/820136834.db2.gz FRNZHTLQYUZHSO-SFHVURJKSA-N 1 1 377.843 4.389 20 0 GIADMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3COc3ccc(Cl)cc3)n2)cc1 ZINC000026723424 820136997 /nfs/dbraw/zinc/13/69/97/820136997.db2.gz MNAKHAFQFHVXLP-QGZVFWFLSA-N 1 1 399.878 4.442 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3COc3ccc(Cl)cc3)n2)cc1 ZINC000026723424 820137004 /nfs/dbraw/zinc/13/70/04/820137004.db2.gz MNAKHAFQFHVXLP-QGZVFWFLSA-N 1 1 399.878 4.442 20 0 GIADMO CCSc1cc(C[NH2+]Cc2cc3cnn(C(C)C)c3nc2Cl)ccn1 ZINC000189605171 823457011 /nfs/dbraw/zinc/45/70/11/823457011.db2.gz DEZRUMSLEHWSSK-UHFFFAOYSA-N 1 1 375.929 4.462 20 0 GIADMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccccc1 ZINC000177415467 823457169 /nfs/dbraw/zinc/45/71/69/823457169.db2.gz DZRNIQOOXMGTET-SJKOYZFVSA-N 1 1 392.286 4.281 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000026907749 820161990 /nfs/dbraw/zinc/16/19/90/820161990.db2.gz WJQKFAHOKCJRIY-UHFFFAOYSA-N 1 1 393.462 4.009 20 0 GIADMO CC(C)[N@@H+](CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000026943128 820166961 /nfs/dbraw/zinc/16/69/61/820166961.db2.gz PEJCGMNCIKLBAR-SFHVURJKSA-N 1 1 393.531 4.331 20 0 GIADMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc2occc2c1 ZINC000573139814 823453802 /nfs/dbraw/zinc/45/38/02/823453802.db2.gz LOCGWVQAIPOVQP-INIZCTEOSA-N 1 1 384.501 4.166 20 0 GIADMO COCc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000027045843 820185246 /nfs/dbraw/zinc/18/52/46/820185246.db2.gz RNIPQUAUMGEGQN-JOCHJYFZSA-N 1 1 378.447 4.442 20 0 GIADMO CC(=O)N(c1nc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cs1)c1ccc(C)cc1 ZINC000123089781 823460516 /nfs/dbraw/zinc/46/05/16/823460516.db2.gz QGUICFNAPPMHAG-UZLBHIALSA-N 1 1 386.565 4.051 20 0 GIADMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](CC(C)C)C2CC2)cc1 ZINC000027110425 820195130 /nfs/dbraw/zinc/19/51/30/820195130.db2.gz PHWFKMDSXZTGKF-UHFFFAOYSA-N 1 1 395.503 4.006 20 0 GIADMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000027137374 820199690 /nfs/dbraw/zinc/19/96/90/820199690.db2.gz VBGMNQVTACIEON-JTQLQIEISA-N 1 1 375.296 4.085 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)Nc1ccc(Oc2ccccc2)cc1 ZINC000573177089 823461253 /nfs/dbraw/zinc/46/12/53/823461253.db2.gz WPQQDXIPDLIBBW-VSKRKVRLSA-N 1 1 380.488 4.043 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1)Nc1cccnc1 ZINC000573179983 823461865 /nfs/dbraw/zinc/46/18/65/823461865.db2.gz JCHKXWIWBUZJPW-IBGZPJMESA-N 1 1 395.894 4.291 20 0 GIADMO CCCCC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(F)cc1 ZINC000027276746 820219013 /nfs/dbraw/zinc/21/90/13/820219013.db2.gz IKSJNVISPJFBLR-UHFFFAOYSA-N 1 1 399.510 4.158 20 0 GIADMO CCCCC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(F)cc1 ZINC000027276746 820219021 /nfs/dbraw/zinc/21/90/21/820219021.db2.gz IKSJNVISPJFBLR-UHFFFAOYSA-N 1 1 399.510 4.158 20 0 GIADMO COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(F)c1 ZINC000027344470 820228687 /nfs/dbraw/zinc/22/86/87/820228687.db2.gz NBLAJBFMMDJAGJ-LJQANCHMSA-N 1 1 376.859 4.055 20 0 GIADMO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000573185628 823462858 /nfs/dbraw/zinc/46/28/58/823462858.db2.gz DUBUSOANICXENW-ZYHUDNBSSA-N 1 1 394.302 4.312 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(Br)s1 ZINC000027360103 820231333 /nfs/dbraw/zinc/23/13/33/820231333.db2.gz KVQQBJKBPDOTNY-HNNXBMFYSA-N 1 1 397.338 4.368 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000027360103 820231338 /nfs/dbraw/zinc/23/13/38/820231338.db2.gz KVQQBJKBPDOTNY-HNNXBMFYSA-N 1 1 397.338 4.368 20 0 GIADMO O=C(Nc1ccc(-c2nccs2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000058866550 823464396 /nfs/dbraw/zinc/46/43/96/823464396.db2.gz WJSBLRRHBHBBQM-UHFFFAOYSA-N 1 1 378.501 4.160 20 0 GIADMO COC(=O)c1cc(C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)oc1C ZINC000027508325 820255323 /nfs/dbraw/zinc/25/53/23/820255323.db2.gz QIXGTKAVTDFLTF-UHFFFAOYSA-N 1 1 395.402 4.149 20 0 GIADMO COC(=O)c1cc(C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)oc1C ZINC000027508325 820255332 /nfs/dbraw/zinc/25/53/32/820255332.db2.gz QIXGTKAVTDFLTF-UHFFFAOYSA-N 1 1 395.402 4.149 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000460645445 823465338 /nfs/dbraw/zinc/46/53/38/823465338.db2.gz FQIBNRIAJVPJLZ-XJKSGUPXSA-N 1 1 377.426 4.239 20 0 GIADMO Cc1cccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C(C)C)CC2)c1 ZINC000027536134 820256664 /nfs/dbraw/zinc/25/66/64/820256664.db2.gz NOFVRDLYQBRGAR-HXUWFJFHSA-N 1 1 379.548 4.263 20 0 GIADMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000027558038 820259659 /nfs/dbraw/zinc/25/96/59/820259659.db2.gz WFQBRAWFIZFNSR-INIZCTEOSA-N 1 1 397.494 4.130 20 0 GIADMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000027558038 820259665 /nfs/dbraw/zinc/25/96/65/820259665.db2.gz WFQBRAWFIZFNSR-INIZCTEOSA-N 1 1 397.494 4.130 20 0 GIADMO CC1CC[NH+]([C@H](CNC(=O)c2ccc(O)c(Cl)c2)c2cccs2)CC1 ZINC000027573183 820261119 /nfs/dbraw/zinc/26/11/19/820261119.db2.gz QLPQIGCWIGDESI-MRXNPFEDSA-N 1 1 378.925 4.310 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC000058883445 823466453 /nfs/dbraw/zinc/46/64/53/823466453.db2.gz HWCIQURMEJSDPI-KSZLIROESA-N 1 1 396.556 4.457 20 0 GIADMO COCc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000410338463 823466863 /nfs/dbraw/zinc/46/68/63/823466863.db2.gz SOTUMFSAWGGGCZ-IBGZPJMESA-N 1 1 395.547 4.207 20 0 GIADMO COc1ccc(OC)c(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410343421 823468043 /nfs/dbraw/zinc/46/80/43/823468043.db2.gz GEVTYPYJVXTXFD-KRWDZBQOSA-N 1 1 397.519 4.400 20 0 GIADMO COc1cc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc(OC)c1 ZINC000410343141 823468133 /nfs/dbraw/zinc/46/81/33/823468133.db2.gz DCYYDHSCOCWVGU-KRWDZBQOSA-N 1 1 397.519 4.400 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H](OCCC(C)C)C2)cc1 ZINC000123155331 823471381 /nfs/dbraw/zinc/47/13/81/823471381.db2.gz QOEGXFYPOYZDQL-LAUBAEHRSA-N 1 1 384.524 4.088 20 0 GIADMO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410345252 823468763 /nfs/dbraw/zinc/46/87/63/823468763.db2.gz OYAIOZXAHUXCCC-MOPGFXCFSA-N 1 1 383.536 4.475 20 0 GIADMO CC(=O)N(c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000573237767 823469204 /nfs/dbraw/zinc/46/92/04/823469204.db2.gz WYCBVOWUKBSCCU-FQEVSTJZSA-N 1 1 391.515 4.053 20 0 GIADMO COC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000410348318 823469942 /nfs/dbraw/zinc/46/99/42/823469942.db2.gz WOMJDLIIZHKQMM-KRWDZBQOSA-N 1 1 395.503 4.169 20 0 GIADMO COCc1ccccc1C[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000028370631 820329933 /nfs/dbraw/zinc/32/99/33/820329933.db2.gz VRXWSPKYSUCDSA-QFIPXVFZSA-N 1 1 378.447 4.442 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(F)c2)C1 ZINC000410351624 823470648 /nfs/dbraw/zinc/47/06/48/823470648.db2.gz MCWLGEGABDJKIG-GOSISDBHSA-N 1 1 383.511 4.399 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCCC[C@H]1C1CC1 ZINC000573251996 823470839 /nfs/dbraw/zinc/47/08/39/823470839.db2.gz IMFJUPVDNAYONE-OALUTQOASA-N 1 1 376.491 4.262 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000573251995 823470866 /nfs/dbraw/zinc/47/08/66/823470866.db2.gz IMFJUPVDNAYONE-MOPGFXCFSA-N 1 1 376.491 4.262 20 0 GIADMO C[C@H](CCCC(F)(F)F)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000460681938 823477126 /nfs/dbraw/zinc/47/71/26/823477126.db2.gz TWBLZUZJGKDGAX-NEWSRXKRSA-N 1 1 397.485 4.271 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000028724632 820353479 /nfs/dbraw/zinc/35/34/79/820353479.db2.gz GTIPJAJNSQCEBW-KRWDZBQOSA-N 1 1 391.519 4.196 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000028724632 820353489 /nfs/dbraw/zinc/35/34/89/820353489.db2.gz GTIPJAJNSQCEBW-KRWDZBQOSA-N 1 1 391.519 4.196 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3ccnn3C(C)C)ccc2c1 ZINC000028730736 820354094 /nfs/dbraw/zinc/35/40/94/820354094.db2.gz QUNWGPJBYNLMKE-MRXNPFEDSA-N 1 1 380.492 4.085 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000410358835 823473400 /nfs/dbraw/zinc/47/34/00/823473400.db2.gz KIXPQZUVGLWYCM-SFHVURJKSA-N 1 1 383.511 4.399 20 0 GIADMO CCc1ccc(CN(C)C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000028844566 820363334 /nfs/dbraw/zinc/36/33/34/820363334.db2.gz RPYKOXQKHFVGHA-KDURUIRLSA-N 1 1 380.532 4.130 20 0 GIADMO CCc1ccc(CN(C)C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000028844566 820363341 /nfs/dbraw/zinc/36/33/41/820363341.db2.gz RPYKOXQKHFVGHA-KDURUIRLSA-N 1 1 380.532 4.130 20 0 GIADMO COc1cccc(C[N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000028852128 820363802 /nfs/dbraw/zinc/36/38/02/820363802.db2.gz CKUWILJSLKAWSX-UHFFFAOYSA-N 1 1 388.511 4.423 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(Cl)c(Cl)c1 ZINC000028895446 820368892 /nfs/dbraw/zinc/36/88/92/820368892.db2.gz ISIJJPJFIZHLIX-UHFFFAOYSA-N 1 1 381.259 4.183 20 0 GIADMO CO[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000410369309 823477333 /nfs/dbraw/zinc/47/73/33/823477333.db2.gz BCVIBFCXQOFZNS-XXBNENTESA-N 1 1 395.547 4.248 20 0 GIADMO COc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc(OC)c1 ZINC000410360651 823474065 /nfs/dbraw/zinc/47/40/65/823474065.db2.gz AEONHGMCXAFBMP-KRWDZBQOSA-N 1 1 397.519 4.400 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000177489041 823474348 /nfs/dbraw/zinc/47/43/48/823474348.db2.gz CVDRZYNDWOOHSV-OALUTQOASA-N 1 1 389.584 4.006 20 0 GIADMO C[C@@H](Cc1cccs1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410362238 823474402 /nfs/dbraw/zinc/47/44/02/823474402.db2.gz UOHGGBVKGGHXFG-ROUUACIJSA-N 1 1 385.577 4.410 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc4cnccc43)cc2)C[C@H](C)O1 ZINC000028941356 820376499 /nfs/dbraw/zinc/37/64/99/820376499.db2.gz DRDKASAHALYIMO-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc4cnccc43)cc2)C[C@H](C)O1 ZINC000028941356 820376507 /nfs/dbraw/zinc/37/65/07/820376507.db2.gz DRDKASAHALYIMO-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO COc1ccc(CCC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1F ZINC000058950440 823474690 /nfs/dbraw/zinc/47/46/90/823474690.db2.gz RFQVSPHBMRTIKU-GOSISDBHSA-N 1 1 398.522 4.458 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000058952641 823474993 /nfs/dbraw/zinc/47/49/93/823474993.db2.gz RUNIMECWFHWKIG-AOMKIAJQSA-N 1 1 398.934 4.334 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000123180464 823474987 /nfs/dbraw/zinc/47/49/87/823474987.db2.gz XPGKABRHYQIDSM-UWJYYQICSA-N 1 1 389.503 4.138 20 0 GIADMO Cc1ccc2c(CC(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)coc2c1 ZINC000029161635 820402750 /nfs/dbraw/zinc/40/27/50/820402750.db2.gz XCLMLSWVGKMOCV-UHFFFAOYSA-N 1 1 376.500 4.237 20 0 GIADMO Clc1ccc2c(ccn2CC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000573290713 823476652 /nfs/dbraw/zinc/47/66/52/823476652.db2.gz KQNSZYCSLPCZCL-QGZVFWFLSA-N 1 1 379.895 4.217 20 0 GIADMO Cc1cc(OCCCC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000058966277 823476764 /nfs/dbraw/zinc/47/67/64/823476764.db2.gz LFNUGNSPDPAHHB-KRWDZBQOSA-N 1 1 380.960 4.436 20 0 GIADMO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1cccc(C)c1 ZINC000029508050 820465769 /nfs/dbraw/zinc/46/57/69/820465769.db2.gz IJIJJILJGMRSSX-NRFANRHFSA-N 1 1 392.503 4.039 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000029597741 820481964 /nfs/dbraw/zinc/48/19/64/820481964.db2.gz SSKDPDRXVKEFHH-HXUWFJFHSA-N 1 1 380.488 4.357 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000029597741 820481967 /nfs/dbraw/zinc/48/19/67/820481967.db2.gz SSKDPDRXVKEFHH-HXUWFJFHSA-N 1 1 380.488 4.357 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cncn1-c1ccc(F)cc1 ZINC000029636788 820489738 /nfs/dbraw/zinc/48/97/38/820489738.db2.gz GHNMAYHGBWWXRR-UHFFFAOYSA-N 1 1 399.495 4.096 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000573347601 823482545 /nfs/dbraw/zinc/48/25/45/823482545.db2.gz CCXXQJIVHRUWHC-JXFKEZNVSA-N 1 1 375.900 4.169 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000573347601 823482548 /nfs/dbraw/zinc/48/25/48/823482548.db2.gz CCXXQJIVHRUWHC-JXFKEZNVSA-N 1 1 375.900 4.169 20 0 GIADMO C[C@H]([NH2+]Cc1cc(F)c(F)cc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000573347027 823482795 /nfs/dbraw/zinc/48/27/95/823482795.db2.gz LBGQAPGKEZRQLT-JTQLQIEISA-N 1 1 395.247 4.463 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccco1 ZINC000059054836 823484645 /nfs/dbraw/zinc/48/46/45/823484645.db2.gz BYWFJOHJVMSLGT-KRWDZBQOSA-N 1 1 384.411 4.030 20 0 GIADMO C[N@@H+](CCCNC(=O)N[C@H](c1ccccc1)c1ccccn1)C1CCCCC1 ZINC000029731100 820508621 /nfs/dbraw/zinc/50/86/21/820508621.db2.gz TWLYOHUZQIOPIZ-JOCHJYFZSA-N 1 1 380.536 4.125 20 0 GIADMO Cc1nn(C)c(C)c1CC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000123251138 823485257 /nfs/dbraw/zinc/48/52/57/823485257.db2.gz VAJZNPKMZYCGCG-OAQYLSRUSA-N 1 1 387.487 4.009 20 0 GIADMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029826144 820525878 /nfs/dbraw/zinc/52/58/78/820525878.db2.gz CBZBSKADIACHOP-PKOBYXMFSA-N 1 1 377.488 4.227 20 0 GIADMO Cc1nc(-c2ccccc2)c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)s1 ZINC000029841959 820530123 /nfs/dbraw/zinc/53/01/23/820530123.db2.gz PWKXAGAIQKAMRH-UHFFFAOYSA-N 1 1 391.540 4.297 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1csc(-c2ccc(F)cc2)n1 ZINC000029897936 820542816 /nfs/dbraw/zinc/54/28/16/820542816.db2.gz LXJJHIODBOCGQM-GOSISDBHSA-N 1 1 399.491 4.499 20 0 GIADMO O=S1(=O)CCC2(CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)CC1 ZINC000573396266 823487652 /nfs/dbraw/zinc/48/76/52/823487652.db2.gz DOLMZJMEQVRUMA-UHFFFAOYSA-N 1 1 393.936 4.391 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000123265625 823487806 /nfs/dbraw/zinc/48/78/06/823487806.db2.gz RVDCEKBUVWSULP-VGOFRKELSA-N 1 1 396.535 4.375 20 0 GIADMO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123266919 823488064 /nfs/dbraw/zinc/48/80/64/823488064.db2.gz GBOMBWIPFDJEQM-PWSUYJOCSA-N 1 1 383.970 4.388 20 0 GIADMO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029939321 820551234 /nfs/dbraw/zinc/55/12/34/820551234.db2.gz RNDUINADDAGPDJ-SFHVURJKSA-N 1 1 388.895 4.239 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Br)ccc2OCC)C1 ZINC000177547638 823488182 /nfs/dbraw/zinc/48/81/82/823488182.db2.gz QHSKLEQRXIMZJG-CQSZACIVSA-N 1 1 398.345 4.043 20 0 GIADMO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)cs1 ZINC000189755925 823488785 /nfs/dbraw/zinc/48/87/85/823488785.db2.gz KDYPDZJBLWBWOS-XJKSGUPXSA-N 1 1 387.332 4.335 20 0 GIADMO Cc1nc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)cs1 ZINC000189755925 823488787 /nfs/dbraw/zinc/48/87/87/823488787.db2.gz KDYPDZJBLWBWOS-XJKSGUPXSA-N 1 1 387.332 4.335 20 0 GIADMO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC000030007511 820567384 /nfs/dbraw/zinc/56/73/84/820567384.db2.gz UGTGFGQZZGKPIJ-QGZVFWFLSA-N 1 1 395.503 4.211 20 0 GIADMO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000030007463 820567534 /nfs/dbraw/zinc/56/75/34/820567534.db2.gz MPBUGEOBRBMQSB-QZTJIDSGSA-N 1 1 381.520 4.363 20 0 GIADMO COC[C@@H]([NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1)c1ccco1 ZINC000177571708 823493706 /nfs/dbraw/zinc/49/37/06/823493706.db2.gz OSEADGLSRHRCTK-OAQYLSRUSA-N 1 1 391.471 4.292 20 0 GIADMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000030150448 820579719 /nfs/dbraw/zinc/57/97/19/820579719.db2.gz HPQVTBPSBASPJY-MOPGFXCFSA-N 1 1 395.547 4.435 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCCOc2ccc(F)cc2)c(Cl)c1 ZINC000030267543 820592467 /nfs/dbraw/zinc/59/24/67/820592467.db2.gz DVIAUIYZJAMUEC-UHFFFAOYSA-N 1 1 378.875 4.435 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCOc2ccc(F)cc2)c(Cl)c1 ZINC000030267543 820592471 /nfs/dbraw/zinc/59/24/71/820592471.db2.gz DVIAUIYZJAMUEC-UHFFFAOYSA-N 1 1 378.875 4.435 20 0 GIADMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000030270012 820593231 /nfs/dbraw/zinc/59/32/31/820593231.db2.gz PSVAJEKFNRHHSB-INIZCTEOSA-N 1 1 383.492 4.006 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000123310124 823494637 /nfs/dbraw/zinc/49/46/37/823494637.db2.gz KNFMSQGADCWEMJ-QGZVFWFLSA-N 1 1 388.581 4.409 20 0 GIADMO C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189788998 823494727 /nfs/dbraw/zinc/49/47/27/823494727.db2.gz RNGIZNCSDYVTQR-OMWUSAIZSA-N 1 1 387.915 4.074 20 0 GIADMO C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189788998 823494730 /nfs/dbraw/zinc/49/47/30/823494730.db2.gz RNGIZNCSDYVTQR-OMWUSAIZSA-N 1 1 387.915 4.074 20 0 GIADMO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1N(C)C ZINC000189764210 823490133 /nfs/dbraw/zinc/49/01/33/823490133.db2.gz MTWQGRSKWQMVKF-AZUAARDMSA-N 1 1 386.927 4.281 20 0 GIADMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cccc1N(C)C ZINC000189764210 823490137 /nfs/dbraw/zinc/49/01/37/823490137.db2.gz MTWQGRSKWQMVKF-AZUAARDMSA-N 1 1 386.927 4.281 20 0 GIADMO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCC[N@H+]1CCc2ccccc2C1 ZINC000030317332 820599978 /nfs/dbraw/zinc/59/99/78/820599978.db2.gz IQMWGMPEDCOIFW-MDZDMXLPSA-N 1 1 391.902 4.076 20 0 GIADMO COC[C@@H]([NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1)c1ccco1 ZINC000177576382 823494984 /nfs/dbraw/zinc/49/49/84/823494984.db2.gz OXXYUEABMIJSRM-LJQANCHMSA-N 1 1 385.435 4.484 20 0 GIADMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(SC)cc2)s1 ZINC000411285785 823562380 /nfs/dbraw/zinc/56/23/80/823562380.db2.gz SQRWABCQJHRPDZ-LSDHHAIUSA-N 1 1 380.579 4.169 20 0 GIADMO CC(C)n1cc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cn1 ZINC000189781943 823493268 /nfs/dbraw/zinc/49/32/68/823493268.db2.gz LYYDTXAUCSDMDS-FQEVSTJZSA-N 1 1 394.544 4.055 20 0 GIADMO CC(C)n1cc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cn1 ZINC000189781943 823493272 /nfs/dbraw/zinc/49/32/72/823493272.db2.gz LYYDTXAUCSDMDS-FQEVSTJZSA-N 1 1 394.544 4.055 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCOc2ccc(F)cc2)cc1 ZINC000123323662 823496050 /nfs/dbraw/zinc/49/60/50/823496050.db2.gz RPLIZZZPWAUDDF-INIZCTEOSA-N 1 1 396.466 4.101 20 0 GIADMO Fc1cc(Br)cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000177589622 823497274 /nfs/dbraw/zinc/49/72/74/823497274.db2.gz FIADFYFIYXRLJF-SFHVURJKSA-N 1 1 386.305 4.138 20 0 GIADMO CCOc1ncccc1C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000030901491 820705324 /nfs/dbraw/zinc/70/53/24/820705324.db2.gz DPUPYOHAAWDIFL-UHFFFAOYSA-N 1 1 384.911 4.285 20 0 GIADMO CCN(C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@H](C)c1cccnc1 ZINC000123342022 823498971 /nfs/dbraw/zinc/49/89/71/823498971.db2.gz SQTUYNKLQFBGLQ-IAGOWNOFSA-N 1 1 377.492 4.429 20 0 GIADMO CC[C@@H](NC(=O)c1cccc(C(F)F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177605951 823500004 /nfs/dbraw/zinc/50/00/04/823500004.db2.gz QWPGOPPRKJADRI-WOJBJXKFSA-N 1 1 388.458 4.034 20 0 GIADMO CC[C@@H](NC(=O)c1cccc(C(F)F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177605951 823500008 /nfs/dbraw/zinc/50/00/08/823500008.db2.gz QWPGOPPRKJADRI-WOJBJXKFSA-N 1 1 388.458 4.034 20 0 GIADMO CC[C@H](NC(=O)c1cccc(C(F)F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177605938 823500034 /nfs/dbraw/zinc/50/00/34/823500034.db2.gz QWPGOPPRKJADRI-VQTJNVASSA-N 1 1 388.458 4.034 20 0 GIADMO CC[C@H](NC(=O)c1cccc(C(F)F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177605938 823500038 /nfs/dbraw/zinc/50/00/38/823500038.db2.gz QWPGOPPRKJADRI-VQTJNVASSA-N 1 1 388.458 4.034 20 0 GIADMO COc1ccc2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)[nH]c2c1 ZINC000031205440 820768973 /nfs/dbraw/zinc/76/89/73/820768973.db2.gz XOLCSNOEWMWMDM-NRFANRHFSA-N 1 1 397.906 4.397 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000059885469 823501351 /nfs/dbraw/zinc/50/13/51/823501351.db2.gz TUWWSWKIKFSUSM-UHFFFAOYSA-N 1 1 383.879 4.244 20 0 GIADMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1 ZINC000059891880 823502108 /nfs/dbraw/zinc/50/21/08/823502108.db2.gz CFYISIWEFMVJHS-SFHVURJKSA-N 1 1 394.544 4.069 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000189822338 823502213 /nfs/dbraw/zinc/50/22/13/823502213.db2.gz NKPAIGQXXYMYPN-UTKZUKDTSA-N 1 1 397.950 4.085 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1F ZINC000060047155 823505882 /nfs/dbraw/zinc/50/58/82/823505882.db2.gz UEWHZGXOSVDHHX-UHFFFAOYSA-N 1 1 392.459 4.373 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCn2ccc3ccccc32)C[C@H](C)O1 ZINC000059896554 823502360 /nfs/dbraw/zinc/50/23/60/823502360.db2.gz XHVZPSKUIJVTBB-OALUTQOASA-N 1 1 391.515 4.279 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)CSCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000124077302 823565635 /nfs/dbraw/zinc/56/56/35/823565635.db2.gz OJZQOJXBBFAWJP-DOMZBBRYSA-N 1 1 375.365 4.168 20 0 GIADMO COc1ccc([C@@H]([NH2+]CC(=O)NC2CCCCCC2)c2ccc(F)cc2)cc1 ZINC000060089129 823507371 /nfs/dbraw/zinc/50/73/71/823507371.db2.gz ZMDASOIXEMBAJI-QHCPKHFHSA-N 1 1 384.495 4.352 20 0 GIADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(SC(F)F)cc1 ZINC000031543932 820823013 /nfs/dbraw/zinc/82/30/13/820823013.db2.gz FBLNRECXBJLFCX-KRWDZBQOSA-N 1 1 376.472 4.396 20 0 GIADMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000031544294 820823186 /nfs/dbraw/zinc/82/31/86/820823186.db2.gz AZGCZOGOAJDHJZ-IBGZPJMESA-N 1 1 394.906 4.125 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000060092890 823507706 /nfs/dbraw/zinc/50/77/06/823507706.db2.gz BJZXBHMKUCGDAO-MRXNPFEDSA-N 1 1 388.943 4.219 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)COc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000060207821 823511991 /nfs/dbraw/zinc/51/19/91/823511991.db2.gz AOSXFTGQXJNGRD-GFCCVEGCSA-N 1 1 393.742 4.262 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000060159584 823510433 /nfs/dbraw/zinc/51/04/33/823510433.db2.gz JDDRBBOUHIPPPL-IBGZPJMESA-N 1 1 391.540 4.452 20 0 GIADMO COc1cccc(/C=N/C[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1O ZINC000032069836 820893416 /nfs/dbraw/zinc/89/34/16/820893416.db2.gz XPADQHBTODBFKM-FZJZADEZSA-N 1 1 376.859 4.449 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000189957096 823517707 /nfs/dbraw/zinc/51/77/07/823517707.db2.gz SXWPWVOVVRRYNY-NRFANRHFSA-N 1 1 388.600 4.156 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(F)c1 ZINC000032216890 820903640 /nfs/dbraw/zinc/90/36/40/820903640.db2.gz JNHWFACNJZCQNR-JOCHJYFZSA-N 1 1 392.474 4.361 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177696921 823514414 /nfs/dbraw/zinc/51/44/14/823514414.db2.gz LFLIRJITQVJAHD-KDURUIRLSA-N 1 1 397.529 4.128 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177696921 823514419 /nfs/dbraw/zinc/51/44/19/823514419.db2.gz LFLIRJITQVJAHD-KDURUIRLSA-N 1 1 397.529 4.128 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177696921 823514423 /nfs/dbraw/zinc/51/44/23/823514423.db2.gz LFLIRJITQVJAHD-KDURUIRLSA-N 1 1 397.529 4.128 20 0 GIADMO Cc1ccc(Br)cc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000461064337 823568586 /nfs/dbraw/zinc/56/85/86/823568586.db2.gz RRRFFSDYYPWGES-IAGOWNOFSA-N 1 1 393.369 4.484 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(SC(F)F)cc1 ZINC000032400841 820934612 /nfs/dbraw/zinc/93/46/12/820934612.db2.gz QVJALCKQIXBUKP-UHFFFAOYSA-N 1 1 376.472 4.180 20 0 GIADMO C[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000032428058 820941678 /nfs/dbraw/zinc/94/16/78/820941678.db2.gz YNUWIOSPNYYOQU-GOSISDBHSA-N 1 1 390.552 4.443 20 0 GIADMO C[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000032428058 820941685 /nfs/dbraw/zinc/94/16/85/820941685.db2.gz YNUWIOSPNYYOQU-GOSISDBHSA-N 1 1 390.552 4.443 20 0 GIADMO CC[C@H](C(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1)c1ccc(F)cc1 ZINC000123530939 823518236 /nfs/dbraw/zinc/51/82/36/823518236.db2.gz YTEYAWSYGHSSIH-FQEVSTJZSA-N 1 1 389.540 4.113 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C(=O)N4CCC[C@H](C)C4)CC3)o2)cc1 ZINC000123524526 823517416 /nfs/dbraw/zinc/51/74/16/823517416.db2.gz HDTNWHCRNQGMFF-ROUUACIJSA-N 1 1 396.535 4.077 20 0 GIADMO Cc1ccc(N(C)C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000060352062 823518428 /nfs/dbraw/zinc/51/84/28/823518428.db2.gz NDCDMNQOCQMRAU-HXUWFJFHSA-N 1 1 376.422 4.412 20 0 GIADMO Cc1ccc([C@H](CNC(=O)c2csc(-c3ccccc3F)n2)[NH+]2CCCC2)o1 ZINC000060354864 823518770 /nfs/dbraw/zinc/51/87/70/823518770.db2.gz LXOFUSMYZHSYKL-SFHVURJKSA-N 1 1 399.491 4.418 20 0 GIADMO O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000060355541 823518990 /nfs/dbraw/zinc/51/89/90/823518990.db2.gz QUHSRKACJYKIMO-INIZCTEOSA-N 1 1 378.850 4.147 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000177742495 823519194 /nfs/dbraw/zinc/51/91/94/823519194.db2.gz JPWHDZMWWGWUEW-HUUCEWRRSA-N 1 1 387.911 4.361 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1ccc(-c2cccs2)nc1C)[NH+](C)C ZINC000032694719 820992892 /nfs/dbraw/zinc/99/28/92/820992892.db2.gz SABKWJOZOKCASC-IBGZPJMESA-N 1 1 395.528 4.160 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(Br)ccc3C)CC2)c1 ZINC000460814567 823519966 /nfs/dbraw/zinc/51/99/66/823519966.db2.gz KBRMHZUQYMNRSU-UHFFFAOYSA-N 1 1 387.321 4.024 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3c4ccccc4CC[C@H]3C)CC2)cs1 ZINC000123548079 823520091 /nfs/dbraw/zinc/52/00/91/823520091.db2.gz SKQKCPSWOJRULL-VFNWGFHPSA-N 1 1 383.561 4.103 20 0 GIADMO C[C@@H](CNC(=O)Cc1csc(-c2ccccc2Cl)n1)[N@H+]1CCCC[C@H]1C ZINC000032733256 821000451 /nfs/dbraw/zinc/00/04/51/821000451.db2.gz GCUWTWMMWIYLBJ-CABCVRRESA-N 1 1 391.968 4.385 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)[N@H+]1CCCC[C@@H]1C ZINC000032733697 821000564 /nfs/dbraw/zinc/00/05/64/821000564.db2.gz UCKMPXNRFCBPJL-HOTGVXAUSA-N 1 1 375.513 4.026 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(F)cc3cccnc32)CC1 ZINC000123553409 823520579 /nfs/dbraw/zinc/52/05/79/823520579.db2.gz GFDUMYJHJIKAGR-UHFFFAOYSA-N 1 1 391.490 4.358 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc2c(c1)CCO2 ZINC000177751412 823520608 /nfs/dbraw/zinc/52/06/08/823520608.db2.gz WLOXUEIXJDVRDH-QRVBRYPASA-N 1 1 380.532 4.082 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cccc(OCc3cccs3)c2)[C@@H](c2ccccc2)C1 ZINC000032941253 821021057 /nfs/dbraw/zinc/02/10/57/821021057.db2.gz UQVVNUPQGLUENX-JOCHJYFZSA-N 1 1 392.524 4.456 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cccc(OCc3cccs3)c2)[C@@H](c2ccccc2)C1 ZINC000032941253 821021061 /nfs/dbraw/zinc/02/10/61/821021061.db2.gz UQVVNUPQGLUENX-JOCHJYFZSA-N 1 1 392.524 4.456 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)nnn1-c1cccc(Cl)c1 ZINC000177804999 823528075 /nfs/dbraw/zinc/52/80/75/823528075.db2.gz WMFWSIFUOLAFIY-HNNXBMFYSA-N 1 1 392.894 4.266 20 0 GIADMO Cc1csc(SCc2ccccc2C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000123643487 823528680 /nfs/dbraw/zinc/52/86/80/823528680.db2.gz FYWJJHQNTQQPBY-NVXWUHKLSA-N 1 1 389.590 4.299 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H]2c2ccccc2)ccc1OCC(=O)N1CCCC1 ZINC000123648440 823529010 /nfs/dbraw/zinc/52/90/10/823529010.db2.gz SNGJYGIIHTVTCY-NRFANRHFSA-N 1 1 394.515 4.034 20 0 GIADMO O=C(CCC(=O)c1cccs1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000036350613 821071672 /nfs/dbraw/zinc/07/16/72/821071672.db2.gz MVBYGQDUUUNLBG-KRWDZBQOSA-N 1 1 390.936 4.318 20 0 GIADMO COc1ccc(OCCC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000060414176 823524983 /nfs/dbraw/zinc/52/49/83/823524983.db2.gz KECFXHRHWSJBPM-LJQANCHMSA-N 1 1 396.531 4.012 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCC(=O)c3ccccc3)cc2)C1 ZINC000060414247 823525007 /nfs/dbraw/zinc/52/50/07/823525007.db2.gz KJAYDBWBBKLDSQ-LJQANCHMSA-N 1 1 378.516 4.198 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1 ZINC000190010475 823525278 /nfs/dbraw/zinc/52/52/78/823525278.db2.gz KLYIFNJTRLJPLY-QGZVFWFLSA-N 1 1 395.400 4.169 20 0 GIADMO COc1ccccc1CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000060425963 823526042 /nfs/dbraw/zinc/52/60/42/823526042.db2.gz ZEJKHUCDRLDSBA-LJQANCHMSA-N 1 1 380.532 4.319 20 0 GIADMO CC(C)c1ccc(NC(=S)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000060432854 823526958 /nfs/dbraw/zinc/52/69/58/823526958.db2.gz WAUYRCLTVOYJQG-UHFFFAOYSA-N 1 1 396.604 4.044 20 0 GIADMO Fc1ccc(-c2nc(CN3CC[NH+](CCOc4ccccc4)CC3)cs2)cc1 ZINC000060463078 823530848 /nfs/dbraw/zinc/53/08/48/823530848.db2.gz UQAKJUPQIWISDD-UHFFFAOYSA-N 1 1 397.519 4.146 20 0 GIADMO O=C(NCc1coc(-c2cccs2)n1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000123678864 823530964 /nfs/dbraw/zinc/53/09/64/823530964.db2.gz SGOXNMULUSHPEX-INIZCTEOSA-N 1 1 399.491 4.071 20 0 GIADMO Cc1c(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cnn1-c1cc[nH+]cc1 ZINC000123680335 823531179 /nfs/dbraw/zinc/53/11/79/823531179.db2.gz ZNELBNPOVCSBQH-UHFFFAOYSA-N 1 1 393.447 4.014 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1cc2ccccc2o1 ZINC000177823458 823531252 /nfs/dbraw/zinc/53/12/52/823531252.db2.gz ZPKZQOBZMCUNCJ-QGZVFWFLSA-N 1 1 398.528 4.458 20 0 GIADMO C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000060465930 823531280 /nfs/dbraw/zinc/53/12/80/823531280.db2.gz QAHJXUBCZCEGSI-LJQANCHMSA-N 1 1 375.394 4.057 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000177846457 823535533 /nfs/dbraw/zinc/53/55/33/823535533.db2.gz TZUUNFNEJFJKTA-SFHVURJKSA-N 1 1 385.483 4.101 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000190462662 823577910 /nfs/dbraw/zinc/57/79/10/823577910.db2.gz CKEGJSVGBCRMHU-SNVBAGLBSA-N 1 1 383.217 4.356 20 0 GIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000190065665 823532996 /nfs/dbraw/zinc/53/29/96/823532996.db2.gz XOWDOTHJSMHEKS-BZNIZROVSA-N 1 1 387.833 4.056 20 0 GIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000190065665 823532997 /nfs/dbraw/zinc/53/29/97/823532997.db2.gz XOWDOTHJSMHEKS-BZNIZROVSA-N 1 1 387.833 4.056 20 0 GIADMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483430 823533244 /nfs/dbraw/zinc/53/32/44/823533244.db2.gz QZQRMTBSOUSEHY-QINHECLXSA-N 1 1 390.955 4.318 20 0 GIADMO O=C(N[C@@H]1CCCc2sccc21)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460883573 823535732 /nfs/dbraw/zinc/53/57/32/823535732.db2.gz NZWWGJKLJBMZAR-SVFBPWRDSA-N 1 1 395.572 4.289 20 0 GIADMO CCC[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)CC1CCCCC1 ZINC000060495273 823534428 /nfs/dbraw/zinc/53/44/28/823534428.db2.gz RIVYGUHWYKQJAH-UHFFFAOYSA-N 1 1 386.580 4.487 20 0 GIADMO Cc1noc(C(C)C)c1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041399902 821188192 /nfs/dbraw/zinc/18/81/92/821188192.db2.gz IXIVZGVVLQEGON-QGZVFWFLSA-N 1 1 375.900 4.327 20 0 GIADMO C[N@H+]1CCCC[C@@H]1CCSc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000041771284 821227590 /nfs/dbraw/zinc/22/75/90/821227590.db2.gz VPDDWPDXKXWREZ-MRXNPFEDSA-N 1 1 383.517 4.004 20 0 GIADMO O=C(Nc1ccccc1OC(F)F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000123791377 823541074 /nfs/dbraw/zinc/54/10/74/823541074.db2.gz ODCJRGMZWAOYKC-UHFFFAOYSA-N 1 1 393.409 4.167 20 0 GIADMO O=C(Nc1ccccc1OC(F)F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000123791377 823541076 /nfs/dbraw/zinc/54/10/76/823541076.db2.gz ODCJRGMZWAOYKC-UHFFFAOYSA-N 1 1 393.409 4.167 20 0 GIADMO CCc1ccc(-c2noc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)n2)cc1 ZINC000041841308 821236299 /nfs/dbraw/zinc/23/62/99/821236299.db2.gz OOBCEBKLERUYAA-JOCHJYFZSA-N 1 1 377.488 4.245 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000177864809 823538326 /nfs/dbraw/zinc/53/83/26/823538326.db2.gz LSOHUKUKECBZJQ-KGLIPLIRSA-N 1 1 387.471 4.273 20 0 GIADMO CC(C)c1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(C(C)C)c1 ZINC000190112531 823538599 /nfs/dbraw/zinc/53/85/99/823538599.db2.gz PIDCIMOFCXPQJE-KRWDZBQOSA-N 1 1 375.557 4.242 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)CCOc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123763407 823538608 /nfs/dbraw/zinc/53/86/08/823538608.db2.gz RQJNLTFGDNQBTF-KKSFZXQISA-N 1 1 390.886 4.057 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 ZINC000041899510 821244118 /nfs/dbraw/zinc/24/41/18/821244118.db2.gz ZCYDQPBBNUACMC-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000041928902 821245810 /nfs/dbraw/zinc/24/58/10/821245810.db2.gz RPJRPDCOHLVJGE-UHFFFAOYSA-N 1 1 396.560 4.087 20 0 GIADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ncoc1-c1ccccc1Cl ZINC000460907609 823539793 /nfs/dbraw/zinc/53/97/93/823539793.db2.gz LFLLGXQJRSNKQC-HNNXBMFYSA-N 1 1 375.900 4.379 20 0 GIADMO CCc1ccc(C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000042146751 821274422 /nfs/dbraw/zinc/27/44/22/821274422.db2.gz AXXOTGSKTULFBK-NRFANRHFSA-N 1 1 396.494 4.451 20 0 GIADMO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000042474080 821308653 /nfs/dbraw/zinc/30/86/53/821308653.db2.gz RVHUAAHLFOUGJS-KRWDZBQOSA-N 1 1 382.533 4.318 20 0 GIADMO Cc1ccsc1C[N@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000042474080 821308660 /nfs/dbraw/zinc/30/86/60/821308660.db2.gz RVHUAAHLFOUGJS-KRWDZBQOSA-N 1 1 382.533 4.318 20 0 GIADMO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000042563593 821310586 /nfs/dbraw/zinc/31/05/86/821310586.db2.gz OOCRMVIMAPFUFB-KRWDZBQOSA-N 1 1 384.545 4.417 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C1CCCCC1 ZINC000042723020 821327397 /nfs/dbraw/zinc/32/73/97/821327397.db2.gz SELIISOPXUDAFI-FQEVSTJZSA-N 1 1 397.563 4.038 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCc2nc3ccccc3s2)CC1 ZINC000042815588 821335211 /nfs/dbraw/zinc/33/52/11/821335211.db2.gz MFSNWFGZQLXLPC-UHFFFAOYSA-N 1 1 394.544 4.022 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1SCc1cscn1 ZINC000043118095 821363578 /nfs/dbraw/zinc/36/35/78/821363578.db2.gz ZYMHSKSAPWRSJN-MRXNPFEDSA-N 1 1 389.590 4.430 20 0 GIADMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000043173525 821374090 /nfs/dbraw/zinc/37/40/90/821374090.db2.gz HGAZHYVKUQQBDS-UHFFFAOYSA-N 1 1 396.535 4.018 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](c4nncn4C(C)C)C3)o2)cc1C ZINC000180629679 821375269 /nfs/dbraw/zinc/37/52/69/821375269.db2.gz NYPALLFECJFQJM-HKUYNNGSSA-N 1 1 394.523 4.466 20 0 GIADMO NC(=O)COc1cccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)c1 ZINC000180649756 821382743 /nfs/dbraw/zinc/38/27/43/821382743.db2.gz UAYKMXJDXFAWML-JOCHJYFZSA-N 1 1 398.865 4.222 20 0 GIADMO Cc1ccc(F)cc1NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000043277304 821385848 /nfs/dbraw/zinc/38/58/48/821385848.db2.gz URNSHUUKVWAZLT-CALCHBBNSA-N 1 1 385.483 4.065 20 0 GIADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1nnc(C2CC2)s1 ZINC000043360147 821397648 /nfs/dbraw/zinc/39/76/48/821397648.db2.gz JAWVGLMGDWCTOC-OAHLLOKOSA-N 1 1 391.928 4.028 20 0 GIADMO COc1ccccc1[C@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000180695341 821399481 /nfs/dbraw/zinc/39/94/81/821399481.db2.gz OCYIITGMVFIVDS-RUZDIDTESA-N 1 1 387.527 4.434 20 0 GIADMO Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000043390845 821401094 /nfs/dbraw/zinc/40/10/94/821401094.db2.gz NEPFGZWILLBBAA-NRFANRHFSA-N 1 1 395.551 4.384 20 0 GIADMO C[NH+](C)C1CCN(CCN[C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180711775 821410743 /nfs/dbraw/zinc/41/07/43/821410743.db2.gz KUOHJLWYPFKEFM-JOCHJYFZSA-N 1 1 389.946 4.184 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000180724442 821418868 /nfs/dbraw/zinc/41/88/68/821418868.db2.gz TWVIORKZQMNLJM-VXKWHMMOSA-N 1 1 379.479 4.314 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c(-c2cccs2)n1 ZINC000180724308 821419112 /nfs/dbraw/zinc/41/91/12/821419112.db2.gz XSVPEOWBABKZAD-OALUTQOASA-N 1 1 385.508 4.376 20 0 GIADMO Brc1ccc(-c2nccc(C[N@H+](Cc3cccnc3)C3CC3)n2)cc1 ZINC000180731012 821422147 /nfs/dbraw/zinc/42/21/47/821422147.db2.gz OZKQGUDLWPTYFG-UHFFFAOYSA-N 1 1 395.304 4.466 20 0 GIADMO Brc1ccc(-c2nccc(C[N@@H+](Cc3cccnc3)C3CC3)n2)cc1 ZINC000180731012 821422153 /nfs/dbraw/zinc/42/21/53/821422153.db2.gz OZKQGUDLWPTYFG-UHFFFAOYSA-N 1 1 395.304 4.466 20 0 GIADMO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1OC(F)(F)F ZINC000180740603 821428384 /nfs/dbraw/zinc/42/83/84/821428384.db2.gz FBFUNWKFKFLZJB-INIZCTEOSA-N 1 1 386.458 4.271 20 0 GIADMO O=C(Nc1nc(C2CC2)cs1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043648678 821435794 /nfs/dbraw/zinc/43/57/94/821435794.db2.gz LUXUBZIUCKSNDO-UHFFFAOYSA-N 1 1 390.940 4.414 20 0 GIADMO O=C(Nc1nc(C2CC2)cs1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043648678 821435799 /nfs/dbraw/zinc/43/57/99/821435799.db2.gz LUXUBZIUCKSNDO-UHFFFAOYSA-N 1 1 390.940 4.414 20 0 GIADMO COCCN(C(C)=O)c1nc(C[NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)cs1 ZINC000180793997 821462147 /nfs/dbraw/zinc/46/21/47/821462147.db2.gz WGDDMZZMMSKGLE-IBGZPJMESA-N 1 1 389.565 4.328 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000180799701 821465401 /nfs/dbraw/zinc/46/54/01/821465401.db2.gz CCHSEACKCFFULA-MRXNPFEDSA-N 1 1 375.398 4.129 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n1 ZINC000180799701 821465406 /nfs/dbraw/zinc/46/54/06/821465406.db2.gz CCHSEACKCFFULA-MRXNPFEDSA-N 1 1 375.398 4.129 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180855374 821497046 /nfs/dbraw/zinc/49/70/46/821497046.db2.gz JAZWUYGBSZNYDC-APWZRJJASA-N 1 1 395.551 4.264 20 0 GIADMO COc1ccc([C@H]([NH2+]C2CCN(C)CC2)c2ccccc2)cc1Br ZINC000180859731 821498348 /nfs/dbraw/zinc/49/83/48/821498348.db2.gz TXAYJBBBYKIGHG-HXUWFJFHSA-N 1 1 389.337 4.231 20 0 GIADMO COc1ccc2cc(CNC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccc2c1 ZINC000180861917 821500130 /nfs/dbraw/zinc/50/01/30/821500130.db2.gz BEIYQFVJVFZXSC-UWJYYQICSA-N 1 1 395.547 4.301 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863157 821500317 /nfs/dbraw/zinc/50/03/17/821500317.db2.gz AXJFERCGDKKANX-KURKYZTESA-N 1 1 395.551 4.333 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863157 821500325 /nfs/dbraw/zinc/50/03/25/821500325.db2.gz AXJFERCGDKKANX-KURKYZTESA-N 1 1 395.551 4.333 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000180871363 821505057 /nfs/dbraw/zinc/50/50/57/821505057.db2.gz YCVUQLQWAHPJIG-KRWDZBQOSA-N 1 1 397.523 4.340 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)co2)cc1 ZINC000180884483 821512492 /nfs/dbraw/zinc/51/24/92/821512492.db2.gz PAFMUMNZDNYONX-QGZVFWFLSA-N 1 1 393.491 4.046 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)co2)cc1 ZINC000180884483 821512496 /nfs/dbraw/zinc/51/24/96/821512496.db2.gz PAFMUMNZDNYONX-QGZVFWFLSA-N 1 1 393.491 4.046 20 0 GIADMO CN(c1ccccc1CNCc1ccc(OC(C)(C)C)nc1)C1CC[NH+](C)CC1 ZINC000180889427 821516910 /nfs/dbraw/zinc/51/69/10/821516910.db2.gz LRCZBUOOYVRDDX-UHFFFAOYSA-N 1 1 396.579 4.079 20 0 GIADMO O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000044397690 821583717 /nfs/dbraw/zinc/58/37/17/821583717.db2.gz CFJLYVKUFHOZSJ-UHFFFAOYSA-N 1 1 387.483 4.222 20 0 GIADMO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1Cl ZINC000180999486 821585129 /nfs/dbraw/zinc/58/51/29/821585129.db2.gz MUSCQWYNWHXQHA-CQSZACIVSA-N 1 1 394.346 4.136 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)cc1 ZINC000181024940 821599505 /nfs/dbraw/zinc/59/95/05/821599505.db2.gz SHMIMUZNGHREFD-UHFFFAOYSA-N 1 1 391.439 4.308 20 0 GIADMO O=C1[C@@H]([NH2+]Cc2cccnc2Cl)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000181057526 821613512 /nfs/dbraw/zinc/61/35/12/821613512.db2.gz OQZKPOLWNBMBMZ-INIZCTEOSA-N 1 1 397.828 4.035 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1cc(F)ccc1F ZINC000181103771 821634408 /nfs/dbraw/zinc/63/44/08/821634408.db2.gz OBVSECAGYZYUPM-SJCJKPOMSA-N 1 1 383.460 4.179 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181119350 821644878 /nfs/dbraw/zinc/64/48/78/821644878.db2.gz CCGLQXDZGFTJGW-HNNXBMFYSA-N 1 1 389.406 4.052 20 0 GIADMO CCCn1c2ccccc2nc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000181123065 821646981 /nfs/dbraw/zinc/64/69/81/821646981.db2.gz ARVSQXRPRYMHGC-UHFFFAOYSA-N 1 1 391.441 4.499 20 0 GIADMO O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181123424 821647748 /nfs/dbraw/zinc/64/77/48/821647748.db2.gz FGQVPMIRMLVDTG-UHFFFAOYSA-N 1 1 399.445 4.418 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccn1 ZINC000181143562 821661532 /nfs/dbraw/zinc/66/15/32/821661532.db2.gz FIJIQBRYOJUTGS-JTQLQIEISA-N 1 1 391.315 4.409 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000044831110 821669536 /nfs/dbraw/zinc/66/95/36/821669536.db2.gz QUDPHKCBUXXBDX-DYESRHJHSA-N 1 1 379.504 4.036 20 0 GIADMO CC[NH+](CC)[C@@H](CN[C@H](C)c1cnc2cc(C)nn2c1C)c1cccc(OC)c1 ZINC000181192255 821687746 /nfs/dbraw/zinc/68/77/46/821687746.db2.gz FKWNEDQFGNHIRH-VGSWGCGISA-N 1 1 395.551 4.088 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)ccc1C ZINC000181203183 821694853 /nfs/dbraw/zinc/69/48/53/821694853.db2.gz IDGDRJVHANUCCB-XLIONFOSSA-N 1 1 393.487 4.311 20 0 GIADMO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(OC)cc1 ZINC000181215343 821702010 /nfs/dbraw/zinc/70/20/10/821702010.db2.gz DGGHTKWMWPSLJN-AAIMPIBUSA-N 1 1 380.532 4.358 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000181215544 821702150 /nfs/dbraw/zinc/70/21/50/821702150.db2.gz IOHYJGNOFQGFSS-XMSQKQJNSA-N 1 1 375.516 4.270 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2o1)c1ccccc1OCC(=O)N(C)C ZINC000181226831 821706620 /nfs/dbraw/zinc/70/66/20/821706620.db2.gz HMLBENPYKHRORQ-DOTOQJQBSA-N 1 1 381.476 4.097 20 0 GIADMO Cc1c(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cnn1-c1ccccc1F ZINC000181241242 821715099 /nfs/dbraw/zinc/71/50/99/821715099.db2.gz GMIGGACONWEBLO-OXJNMPFZSA-N 1 1 379.483 4.037 20 0 GIADMO C[S@](=O)c1ccc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000181247849 821717859 /nfs/dbraw/zinc/71/78/59/821717859.db2.gz BLTCZNPGWCIXAS-AOMKIAJQSA-N 1 1 382.298 4.103 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cccc(Br)c2OC)c1 ZINC000181261890 821722914 /nfs/dbraw/zinc/72/29/14/821722914.db2.gz AARSHENXIIDXRC-GFCCVEGCSA-N 1 1 380.282 4.326 20 0 GIADMO C[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000181266343 821724228 /nfs/dbraw/zinc/72/42/28/821724228.db2.gz MASIHUPPFGRPGZ-ZDUSSCGKSA-N 1 1 386.402 4.239 20 0 GIADMO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(=O)n2c(C)csc2n1 ZINC000181267848 821725198 /nfs/dbraw/zinc/72/51/98/821725198.db2.gz HWMMUKHDBCUWMP-GOSISDBHSA-N 1 1 385.533 4.340 20 0 GIADMO C[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1cccc(N2CCOC2=O)c1 ZINC000181298734 821742821 /nfs/dbraw/zinc/74/28/21/821742821.db2.gz DYXAQXKXXBTVFG-CYBMUJFWSA-N 1 1 386.402 4.239 20 0 GIADMO c1coc(-c2cc(C[N@H+]3CCC[C@@H](c4nc(-c5ccccc5)n[nH]4)C3)no2)c1 ZINC000181309155 821748277 /nfs/dbraw/zinc/74/82/77/821748277.db2.gz NWEBLUIIGDPPAH-MRXNPFEDSA-N 1 1 375.432 4.099 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181321883 821758067 /nfs/dbraw/zinc/75/80/67/821758067.db2.gz XQYWMYNOVFMBBG-GOSISDBHSA-N 1 1 384.487 4.192 20 0 GIADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000181358467 821785236 /nfs/dbraw/zinc/78/52/36/821785236.db2.gz XZHIJNTUSOXTQE-IBGZPJMESA-N 1 1 393.512 4.376 20 0 GIADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000181358446 821785307 /nfs/dbraw/zinc/78/53/07/821785307.db2.gz XZHIJNTUSOXTQE-LJQANCHMSA-N 1 1 393.512 4.376 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 ZINC000181382943 821797427 /nfs/dbraw/zinc/79/74/27/821797427.db2.gz UJCLLVNUUICHPA-UHFFFAOYSA-N 1 1 396.418 4.138 20 0 GIADMO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(F)cc2Br)s1 ZINC000181388515 821800297 /nfs/dbraw/zinc/80/02/97/821800297.db2.gz PCYPVFWLWZMSTO-SNVBAGLBSA-N 1 1 387.318 4.393 20 0 GIADMO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1nc2c(s1)CCCC2 ZINC000181392619 821802535 /nfs/dbraw/zinc/80/25/35/821802535.db2.gz VBUSRMXXQQHAPD-IAQYHMDHSA-N 1 1 381.339 4.169 20 0 GIADMO C[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1cccc(N2CCCC2=O)c1 ZINC000181394400 821804475 /nfs/dbraw/zinc/80/44/75/821804475.db2.gz XECRKMXBTBIRKH-AWEZNQCLSA-N 1 1 384.430 4.409 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c(Br)c1 ZINC000181404042 821808757 /nfs/dbraw/zinc/80/87/57/821808757.db2.gz CGXVSNONBUGUPR-GFCCVEGCSA-N 1 1 378.266 4.080 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000181421489 821817770 /nfs/dbraw/zinc/81/77/70/821817770.db2.gz PFLHIKJQQKVDAR-UHFFFAOYSA-N 1 1 393.531 4.118 20 0 GIADMO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181446703 821830178 /nfs/dbraw/zinc/83/01/78/821830178.db2.gz PGQQICNBEAOSRW-HOCLYGCPSA-N 1 1 387.549 4.023 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc2cc(Cl)ccc2o1 ZINC000181456405 821834407 /nfs/dbraw/zinc/83/44/07/821834407.db2.gz GJLFSYGZHOHGGL-HNNXBMFYSA-N 1 1 384.911 4.084 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)on1 ZINC000181468136 821839931 /nfs/dbraw/zinc/83/99/31/821839931.db2.gz DGHAUEIZRIUKIT-UWJYYQICSA-N 1 1 380.488 4.486 20 0 GIADMO C[C@@H](NC(=O)CCOc1ccc(F)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181469185 821840542 /nfs/dbraw/zinc/84/05/42/821840542.db2.gz FAOCBDPLRCROFC-CABCVRRESA-N 1 1 382.907 4.017 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000181473222 821841812 /nfs/dbraw/zinc/84/18/12/821841812.db2.gz LBUJLEMDWQXNHD-UHFFFAOYSA-N 1 1 397.519 4.098 20 0 GIADMO COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OCC(C)C ZINC000181473941 821842403 /nfs/dbraw/zinc/84/24/03/821842403.db2.gz DGKCNVYLNFINCV-PKOBYXMFSA-N 1 1 388.552 4.113 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+](C)CCc2ccncc2)cc1 ZINC000181483700 821846486 /nfs/dbraw/zinc/84/64/86/821846486.db2.gz SYXSRQQYHYYWMR-UHFFFAOYSA-N 1 1 375.472 4.295 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+](C)CCc2ccncc2)cc1 ZINC000181483700 821846489 /nfs/dbraw/zinc/84/64/89/821846489.db2.gz SYXSRQQYHYYWMR-UHFFFAOYSA-N 1 1 375.472 4.295 20 0 GIADMO Cc1nc(CCC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)oc1-c1ccccc1 ZINC000181487556 821848391 /nfs/dbraw/zinc/84/83/91/821848391.db2.gz GSLPZUODMBFCKG-XLIONFOSSA-N 1 1 395.547 4.352 20 0 GIADMO O=C(CC[C@@H]1CCCCO1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181498508 821854806 /nfs/dbraw/zinc/85/48/06/821854806.db2.gz XMGKIHVTZWQERF-IBGZPJMESA-N 1 1 399.362 4.423 20 0 GIADMO CCOc1ccccc1OCCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181508302 821859587 /nfs/dbraw/zinc/85/95/87/821859587.db2.gz ZJSLQXADZWCYCI-OALUTQOASA-N 1 1 388.552 4.014 20 0 GIADMO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2Br)cc1F ZINC000181514887 821862536 /nfs/dbraw/zinc/86/25/36/821862536.db2.gz UXYIHRYKHDOBJR-UHFFFAOYSA-N 1 1 380.257 4.400 20 0 GIADMO C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181518703 821864435 /nfs/dbraw/zinc/86/44/35/821864435.db2.gz BERAWTSMSBJNPP-PKOBYXMFSA-N 1 1 381.520 4.043 20 0 GIADMO C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181537891 821872658 /nfs/dbraw/zinc/87/26/58/821872658.db2.gz FGAJTLDBPIASBU-WDYCEAGBSA-N 1 1 382.470 4.492 20 0 GIADMO CC(C)n1cc(Br)cc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181538716 821873228 /nfs/dbraw/zinc/87/32/28/821873228.db2.gz JXUBWYWHZYMFKY-CABCVRRESA-N 1 1 396.373 4.214 20 0 GIADMO Cc1cc(C(=O)CCC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000181543430 821874603 /nfs/dbraw/zinc/87/46/03/821874603.db2.gz RCVCYIVFTLEJEH-RDJZCZTQSA-N 1 1 376.566 4.097 20 0 GIADMO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c2c(n1)onc2C(C)C ZINC000181545340 821875187 /nfs/dbraw/zinc/87/51/87/821875187.db2.gz YMFIVXCPUQUSRY-HOTGVXAUSA-N 1 1 384.524 4.037 20 0 GIADMO O=C(CC[N@@H+]1CCO[C@H](Cc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000181564913 821882507 /nfs/dbraw/zinc/88/25/07/821882507.db2.gz IZPBSCFEODBFAL-MRXNPFEDSA-N 1 1 393.314 4.266 20 0 GIADMO O=C(CC[N@H+]1CCO[C@H](Cc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000181564913 821882518 /nfs/dbraw/zinc/88/25/18/821882518.db2.gz IZPBSCFEODBFAL-MRXNPFEDSA-N 1 1 393.314 4.266 20 0 GIADMO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1Br ZINC000181583029 821889122 /nfs/dbraw/zinc/88/91/22/821889122.db2.gz KVWIIZLHNYCUJR-QMMMGPOBSA-N 1 1 380.183 4.191 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Br)cc2)C2CC2)n1 ZINC000181595898 821895852 /nfs/dbraw/zinc/89/58/52/821895852.db2.gz YJIYFABTAOCXMI-NHYWBVRUSA-N 1 1 394.338 4.282 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000181619546 821906090 /nfs/dbraw/zinc/90/60/90/821906090.db2.gz FGXXZJLGIKCJSC-FQEVSTJZSA-N 1 1 392.446 4.298 20 0 GIADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000181620236 821906761 /nfs/dbraw/zinc/90/67/61/821906761.db2.gz LKAGAKHCKDWFNW-HXUWFJFHSA-N 1 1 386.540 4.009 20 0 GIADMO Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000181636933 821916288 /nfs/dbraw/zinc/91/62/88/821916288.db2.gz GVXRETCBBKQWDL-SFHVURJKSA-N 1 1 390.528 4.146 20 0 GIADMO C[N@@H+](CCCOc1cccc(Cl)c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181650167 821922880 /nfs/dbraw/zinc/92/28/80/821922880.db2.gz NLCKNADSBLMKDK-UHFFFAOYSA-N 1 1 380.960 4.325 20 0 GIADMO COc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1-c1ccccn1 ZINC000181657290 821926643 /nfs/dbraw/zinc/92/66/43/821926643.db2.gz AFBNVHGMWJZONT-MJGOQNOKSA-N 1 1 393.531 4.140 20 0 GIADMO C[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181663251 821930389 /nfs/dbraw/zinc/93/03/89/821930389.db2.gz YQCDAAKHJFPCDO-HKUYNNGSSA-N 1 1 379.504 4.257 20 0 GIADMO CCCC(=O)NC[C@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000181682779 821942383 /nfs/dbraw/zinc/94/23/83/821942383.db2.gz BSNHJRSJZRVVNT-MRXNPFEDSA-N 1 1 381.358 4.010 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Br)cc1OC ZINC000181687061 821944223 /nfs/dbraw/zinc/94/42/23/821944223.db2.gz FUTUVEZDJFAFKA-LLVKDONJSA-N 1 1 396.256 4.234 20 0 GIADMO Cc1ccc(C)c([C@@H]2C[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)[C@H](C)CO2)c1 ZINC000181719665 821960075 /nfs/dbraw/zinc/96/00/75/821960075.db2.gz GIUZCCWGJBGGAE-KNQAVFIVSA-N 1 1 386.580 4.350 20 0 GIADMO CCCCC[C@H]([NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C)c1ccccc1 ZINC000181750275 821976226 /nfs/dbraw/zinc/97/62/26/821976226.db2.gz LNUCPQVRXAXEED-INIZCTEOSA-N 1 1 395.532 4.054 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](CC(C)C)c3ccccc3)cs2)c1C ZINC000181789820 821993226 /nfs/dbraw/zinc/99/32/26/821993226.db2.gz SURPHFJABWCJMR-LJQANCHMSA-N 1 1 396.560 4.398 20 0 GIADMO CC(C)(C)C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000181800054 821997488 /nfs/dbraw/zinc/99/74/88/821997488.db2.gz BGGVTIOQXNEDTB-BMFZPTHFSA-N 1 1 375.479 4.012 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccccn1 ZINC000181814767 822004022 /nfs/dbraw/zinc/00/40/22/822004022.db2.gz KLPJJHZGWODEPD-AOMKIAJQSA-N 1 1 379.891 4.291 20 0 GIADMO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)o1 ZINC000181871274 822021911 /nfs/dbraw/zinc/02/19/11/822021911.db2.gz GFJISGHHLNTRHW-MRXNPFEDSA-N 1 1 378.476 4.196 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)n2)ccc1F ZINC000181908867 822034024 /nfs/dbraw/zinc/03/40/24/822034024.db2.gz AROQCGDPFJVPBD-GJZGRUSLSA-N 1 1 392.438 4.177 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccnc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914305 822035241 /nfs/dbraw/zinc/03/52/41/822035241.db2.gz GVGRDUZUOHZMIC-SJCJKPOMSA-N 1 1 397.281 4.342 20 0 GIADMO C[C@H](c1ccc(NC(=O)c2ccc(F)c(Cl)c2F)cc1)[NH+]1CCOCC1 ZINC000181956527 822045650 /nfs/dbraw/zinc/04/56/50/822045650.db2.gz SNWWKNYLANATLV-GFCCVEGCSA-N 1 1 380.822 4.264 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)N3CCC[C@@H]3c3ccco3)CC[N@H+]2C2CC2)c1 ZINC000181987880 822054686 /nfs/dbraw/zinc/05/46/86/822054686.db2.gz MFTYXUUUJCLWTC-KCZVDYSFSA-N 1 1 395.503 4.113 20 0 GIADMO COc1ccccc1-c1nc(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)cs1 ZINC000182034119 822068912 /nfs/dbraw/zinc/06/89/12/822068912.db2.gz BJCDCJJKDLQFGV-HNNXBMFYSA-N 1 1 391.500 4.250 20 0 GIADMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000182064528 822078961 /nfs/dbraw/zinc/07/89/61/822078961.db2.gz DFMJVAJBOKXVEU-ZDUSSCGKSA-N 1 1 377.282 4.198 20 0 GIADMO CCCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1OC ZINC000182093494 822091332 /nfs/dbraw/zinc/09/13/32/822091332.db2.gz HALBIJAUFQGQIA-INIZCTEOSA-N 1 1 391.943 4.326 20 0 GIADMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccccc1 ZINC000182101217 822093982 /nfs/dbraw/zinc/09/39/82/822093982.db2.gz JBENMQQTNFIIJZ-QYBDOPJKSA-N 1 1 375.440 4.434 20 0 GIADMO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2csc(CC(=O)N(C)C)n2)cc1 ZINC000182104490 822095521 /nfs/dbraw/zinc/09/55/21/822095521.db2.gz FPBWJKFJHHUOIM-CQSZACIVSA-N 1 1 377.579 4.125 20 0 GIADMO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)c1ccccc1 ZINC000182109119 822097117 /nfs/dbraw/zinc/09/71/17/822097117.db2.gz PKZSATSMGQNXRW-IIBYNOLFSA-N 1 1 386.742 4.312 20 0 GIADMO CCSc1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000182132188 822109738 /nfs/dbraw/zinc/10/97/38/822109738.db2.gz MGTDIIKNESZIPY-HNNXBMFYSA-N 1 1 394.562 4.027 20 0 GIADMO FC(F)(F)c1cccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)o2)c1 ZINC000182210106 822148686 /nfs/dbraw/zinc/14/86/86/822148686.db2.gz CHPKNKGARYTTOJ-UHFFFAOYSA-N 1 1 381.394 4.347 20 0 GIADMO FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CCOC4(CCOCC4)C3)o2)c1 ZINC000182210106 822148694 /nfs/dbraw/zinc/14/86/94/822148694.db2.gz CHPKNKGARYTTOJ-UHFFFAOYSA-N 1 1 381.394 4.347 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+](CCC(F)(F)F)CC3CC3)co2)cc1 ZINC000182224368 822155767 /nfs/dbraw/zinc/15/57/67/822155767.db2.gz IZDLQVUYHHPCQU-UHFFFAOYSA-N 1 1 382.382 4.293 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](CCC(F)(F)F)CC3CC3)co2)cc1 ZINC000182224368 822155771 /nfs/dbraw/zinc/15/57/71/822155771.db2.gz IZDLQVUYHHPCQU-UHFFFAOYSA-N 1 1 382.382 4.293 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1OC(F)(F)F ZINC000182263161 822176083 /nfs/dbraw/zinc/17/60/83/822176083.db2.gz RFWPCDSHGQPNBE-QAPCUYQASA-N 1 1 394.437 4.003 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)(F)F ZINC000182263161 822176090 /nfs/dbraw/zinc/17/60/90/822176090.db2.gz RFWPCDSHGQPNBE-QAPCUYQASA-N 1 1 394.437 4.003 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cnc(OCC3CC3)c(Cl)c2)CC1 ZINC000182298776 822192801 /nfs/dbraw/zinc/19/28/01/822192801.db2.gz KCGVRLVCOIKRRW-UHFFFAOYSA-N 1 1 393.959 4.108 20 0 GIADMO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000182308030 822197047 /nfs/dbraw/zinc/19/70/47/822197047.db2.gz AHRPXQWLMCUDJI-JKSUJKDBSA-N 1 1 381.701 4.370 20 0 GIADMO COc1ccc([C@@H](CCO)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000182407462 822232426 /nfs/dbraw/zinc/23/24/26/822232426.db2.gz PZGUKJKYYMFBEA-OAQYLSRUSA-N 1 1 399.922 4.115 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)c1c(C)noc1C ZINC000182412238 822233503 /nfs/dbraw/zinc/23/35/03/822233503.db2.gz ZRYXBORVVXLERB-NHCUHLMSSA-N 1 1 399.535 4.485 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182441721 822244130 /nfs/dbraw/zinc/24/41/30/822244130.db2.gz MHGRSURAJDXPNG-YZVOILCLSA-N 1 1 391.556 4.315 20 0 GIADMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000182448957 822246230 /nfs/dbraw/zinc/24/62/30/822246230.db2.gz DPPVYWYDXCLDMC-STQMWFEESA-N 1 1 387.867 4.440 20 0 GIADMO CCOc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CCO2 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O=C(NC[C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1)c1ccccc1 ZINC000178057409 822304301 /nfs/dbraw/zinc/30/43/01/822304301.db2.gz NCWGKCBSDUHQAW-MRXNPFEDSA-N 1 1 381.501 4.045 20 0 GIADMO Cc1cccc2nc(C[NH2+][C@H]3CCCOc4cc(Br)ccc43)cn21 ZINC000178061005 822304952 /nfs/dbraw/zinc/30/49/52/822304952.db2.gz QWMUYASOVPFAFY-KRWDZBQOSA-N 1 1 386.293 4.409 20 0 GIADMO O=C(Nc1ccc2c(c1)CCO2)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178066162 822307264 /nfs/dbraw/zinc/30/72/64/822307264.db2.gz NSKNHZGZYHAMEU-IRLDBZIGSA-N 1 1 391.515 4.140 20 0 GIADMO Clc1ccc(C[C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000178075884 822310537 /nfs/dbraw/zinc/31/05/37/822310537.db2.gz VQRVWMSZGVSDIP-NRFANRHFSA-N 1 1 389.890 4.389 20 0 GIADMO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178075514 822310552 /nfs/dbraw/zinc/31/05/52/822310552.db2.gz IZHSKGQXGNIYBA-IBGZPJMESA-N 1 1 375.501 4.106 20 0 GIADMO CCC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000178075917 822310609 /nfs/dbraw/zinc/31/06/09/822310609.db2.gz LXMDLMKSQPWKCJ-QGZVFWFLSA-N 1 1 375.398 4.312 20 0 GIADMO C[C@@H](NC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182613360 822322605 /nfs/dbraw/zinc/32/26/05/822322605.db2.gz LYNNMNYNOAWCGL-POAQFYNOSA-N 1 1 398.576 4.185 20 0 GIADMO C[C@@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182628112 822329466 /nfs/dbraw/zinc/32/94/66/822329466.db2.gz WFRDPXDUVFKVGT-MJGOQNOKSA-N 1 1 382.552 4.053 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 ZINC000182631063 822331152 /nfs/dbraw/zinc/33/11/52/822331152.db2.gz QCFYARBYGOKIPJ-SFHVURJKSA-N 1 1 379.435 4.328 20 0 GIADMO COC[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000182644357 822336546 /nfs/dbraw/zinc/33/65/46/822336546.db2.gz RWEKTXKZISGOED-NRFANRHFSA-N 1 1 388.458 4.068 20 0 GIADMO Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178172307 822340974 /nfs/dbraw/zinc/34/09/74/822340974.db2.gz GGVNUIAOTDULBO-SFHVURJKSA-N 1 1 387.593 4.141 20 0 GIADMO COc1ccc([C@H](C)CCNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182666541 822344457 /nfs/dbraw/zinc/34/44/57/822344457.db2.gz DMDBCKMVVUNXPY-WSTZPKSXSA-N 1 1 387.568 4.141 20 0 GIADMO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000178245374 822357978 /nfs/dbraw/zinc/35/79/78/822357978.db2.gz NDWGTUFKUAROOC-MYUZEXMDSA-N 1 1 390.593 4.327 20 0 GIADMO Cc1cccc([C@@H](C)[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000453411098 822358935 /nfs/dbraw/zinc/35/89/35/822358935.db2.gz XFVBWNVZDBGGJO-DYVFJYSZSA-N 1 1 394.334 4.327 20 0 GIADMO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000453451679 822365767 /nfs/dbraw/zinc/36/57/67/822365767.db2.gz RPGUTOXFKHVKAS-PWSUYJOCSA-N 1 1 383.826 4.323 20 0 GIADMO C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2ccccc2n1 ZINC000178307248 822365880 /nfs/dbraw/zinc/36/58/80/822365880.db2.gz BOYDFVGFTISKNF-GOSISDBHSA-N 1 1 375.516 4.042 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000178315916 822366708 /nfs/dbraw/zinc/36/67/08/822366708.db2.gz XPOKJFLJVSUHSQ-ZDUSSCGKSA-N 1 1 381.419 4.473 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000178316907 822366746 /nfs/dbraw/zinc/36/67/46/822366746.db2.gz SVFGVHGSWRRRHT-LLVKDONJSA-N 1 1 398.272 4.465 20 0 GIADMO C[C@H](CNC(=O)Nc1c(F)cc(Cl)cc1F)[N@@H+]1CCc2sccc2C1 ZINC000182790138 822367859 /nfs/dbraw/zinc/36/78/59/822367859.db2.gz ZBJLWMAFOVMELI-SNVBAGLBSA-N 1 1 385.867 4.248 20 0 GIADMO C[C@H](CNC(=O)Nc1c(F)cc(Cl)cc1F)[N@H+]1CCc2sccc2C1 ZINC000182790138 822367861 /nfs/dbraw/zinc/36/78/61/822367861.db2.gz ZBJLWMAFOVMELI-SNVBAGLBSA-N 1 1 385.867 4.248 20 0 GIADMO CCC[C@@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000182796647 822368930 /nfs/dbraw/zinc/36/89/30/822368930.db2.gz FFHAOIPOOJABRK-JOCHJYFZSA-N 1 1 394.519 4.163 20 0 GIADMO CCC[C@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000182796664 822369030 /nfs/dbraw/zinc/36/90/30/822369030.db2.gz FFHAOIPOOJABRK-QFIPXVFZSA-N 1 1 394.519 4.163 20 0 GIADMO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453462694 822369318 /nfs/dbraw/zinc/36/93/18/822369318.db2.gz JCEGQHPUDIUSRV-JYRKZWEQSA-N 1 1 397.567 4.027 20 0 GIADMO C[C@H](NC(=O)N1CCSC[C@@H]1c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182832333 822374814 /nfs/dbraw/zinc/37/48/14/822374814.db2.gz VWROXEGPARYMOR-FBBABVLZSA-N 1 1 387.593 4.139 20 0 GIADMO Cc1coc(-c2cc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)ccc2C)n1 ZINC000178397817 822375109 /nfs/dbraw/zinc/37/51/09/822375109.db2.gz QBQZMXSOAPCYPA-UHFFFAOYSA-N 1 1 382.508 4.441 20 0 GIADMO C[C@H](NC(=O)CN1CC[N@@H+](C)CC12CCCCC2)c1ccc(Cl)c(Cl)c1 ZINC000178403807 822375797 /nfs/dbraw/zinc/37/57/97/822375797.db2.gz AMIVGHPBUPELSA-HNNXBMFYSA-N 1 1 398.378 4.121 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC(F)(F)F)c1 ZINC000182846250 822377728 /nfs/dbraw/zinc/37/77/28/822377728.db2.gz MWGNJGPSPRCDBE-KXBFYZLASA-N 1 1 379.426 4.345 20 0 GIADMO O=C(Nc1ccccc1OC(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178434259 822378667 /nfs/dbraw/zinc/37/86/67/822378667.db2.gz YFQWBANNWVXFTD-XJKSGUPXSA-N 1 1 383.414 4.066 20 0 GIADMO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178437022 822378916 /nfs/dbraw/zinc/37/89/16/822378916.db2.gz JLZDNWUMQVEBAD-HHHXNRCGSA-N 1 1 380.513 4.030 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182855402 822379552 /nfs/dbraw/zinc/37/95/52/822379552.db2.gz CBVAEHIWYHSPRZ-HOCLYGCPSA-N 1 1 382.508 4.480 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182855382 822379565 /nfs/dbraw/zinc/37/95/65/822379565.db2.gz CBVAEHIWYHSPRZ-GDBMZVCRSA-N 1 1 382.508 4.480 20 0 GIADMO CSCC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2n1)c1nnc2ccccn21 ZINC000178455315 822380846 /nfs/dbraw/zinc/38/08/46/822380846.db2.gz RTZSZMHBASDJFM-DNVCBOLYSA-N 1 1 377.517 4.423 20 0 GIADMO C[C@@H](NC(=O)Nc1nnc(-c2ccsc2)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182860654 822380907 /nfs/dbraw/zinc/38/09/07/822380907.db2.gz FZYAOUMJTDKLEO-CHWSQXEVSA-N 1 1 391.566 4.041 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(F)c1 ZINC000182872046 822383391 /nfs/dbraw/zinc/38/33/91/822383391.db2.gz DLFLPMAMPKMOPP-CYBMUJFWSA-N 1 1 385.414 4.096 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000182879109 822384699 /nfs/dbraw/zinc/38/46/99/822384699.db2.gz PFIUDUGMQSLWGW-XMSQKQJNSA-N 1 1 392.547 4.011 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182885158 822385646 /nfs/dbraw/zinc/38/56/46/822385646.db2.gz ZKZYHESAGPJOAU-MAUKXSAKSA-N 1 1 398.526 4.011 20 0 GIADMO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1 ZINC000182885737 822385957 /nfs/dbraw/zinc/38/59/57/822385957.db2.gz DHCFPIXCZMHJBA-ZDUSSCGKSA-N 1 1 385.414 4.096 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(C)nc1Sc1ccccc1 ZINC000178505340 822386156 /nfs/dbraw/zinc/38/61/56/822386156.db2.gz MQQQUMOJRVHESQ-HNNXBMFYSA-N 1 1 380.517 4.112 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)cs2)cc1 ZINC000178520629 822387357 /nfs/dbraw/zinc/38/73/57/822387357.db2.gz WJCOCVAPLRBCEF-INIZCTEOSA-N 1 1 395.532 4.125 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)cs2)cc1 ZINC000178520629 822387360 /nfs/dbraw/zinc/38/73/60/822387360.db2.gz WJCOCVAPLRBCEF-INIZCTEOSA-N 1 1 395.532 4.125 20 0 GIADMO Cc1cc(Br)c(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)s1 ZINC000453587057 822389222 /nfs/dbraw/zinc/38/92/22/822389222.db2.gz KHIFDMXRIPFREG-MRXNPFEDSA-N 1 1 393.350 4.272 20 0 GIADMO Cc1cc(Br)c(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000453587732 822389269 /nfs/dbraw/zinc/38/92/69/822389269.db2.gz KWHIJZYXJSRCLV-LLVKDONJSA-N 1 1 388.352 4.073 20 0 GIADMO CC(C)[N@H+]1CCc2nc(CN[C@@H](c3ccccc3)C3(CO)CCCC3)sc2C1 ZINC000453597033 822390866 /nfs/dbraw/zinc/39/08/66/822390866.db2.gz BCYYQKGJHJBCFQ-QFIPXVFZSA-N 1 1 399.604 4.293 20 0 GIADMO Cc1cc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)nn1-c1ccc(C)cc1 ZINC000182909458 822390969 /nfs/dbraw/zinc/39/09/69/822390969.db2.gz BFJYJPKWJKRFNR-UHFFFAOYSA-N 1 1 389.503 4.048 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000178553428 822391318 /nfs/dbraw/zinc/39/13/18/822391318.db2.gz LIMDBZHVJBSLLQ-QGZVFWFLSA-N 1 1 389.540 4.131 20 0 GIADMO C[C@H](NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182913343 822391553 /nfs/dbraw/zinc/39/15/53/822391553.db2.gz GBZRNUIPNPSWGA-LRXVAGHRSA-N 1 1 387.543 4.195 20 0 GIADMO C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182934709 822395747 /nfs/dbraw/zinc/39/57/47/822395747.db2.gz CDHDWKDSCBLHOK-AEFFLSMTSA-N 1 1 379.495 4.116 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCOc1ccccc1Cl ZINC000045570710 822396177 /nfs/dbraw/zinc/39/61/77/822396177.db2.gz MBXUDOUEFPWJQG-CYBMUJFWSA-N 1 1 398.837 4.279 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCOc1ccccc1Cl ZINC000045570710 822396182 /nfs/dbraw/zinc/39/61/82/822396182.db2.gz MBXUDOUEFPWJQG-CYBMUJFWSA-N 1 1 398.837 4.279 20 0 GIADMO COc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000182949337 822398486 /nfs/dbraw/zinc/39/84/86/822398486.db2.gz OUQHFXQAVWLTQM-KBPBESRZSA-N 1 1 395.931 4.132 20 0 GIADMO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182950206 822398560 /nfs/dbraw/zinc/39/85/60/822398560.db2.gz NHXRCFGPKFNBBG-LJQANCHMSA-N 1 1 383.536 4.227 20 0 GIADMO CCOC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000178701974 822404099 /nfs/dbraw/zinc/40/40/99/822404099.db2.gz XMJPVPJAWLTJHF-GJZGRUSLSA-N 1 1 391.512 4.025 20 0 GIADMO CCOC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000178701974 822404100 /nfs/dbraw/zinc/40/41/00/822404100.db2.gz XMJPVPJAWLTJHF-GJZGRUSLSA-N 1 1 391.512 4.025 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2ccncc2)cc1NC(C)=O ZINC000178704648 822404273 /nfs/dbraw/zinc/40/42/73/822404273.db2.gz YZCATLWDGLVWBZ-MWTRTKDXSA-N 1 1 375.472 4.489 20 0 GIADMO COCCOc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000178708324 822404461 /nfs/dbraw/zinc/40/44/61/822404461.db2.gz RWBMHHIIOJNRJL-ZDUSSCGKSA-N 1 1 382.273 4.464 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000045692814 822405656 /nfs/dbraw/zinc/40/56/56/822405656.db2.gz KZJWUEFGHARYMY-QGZVFWFLSA-N 1 1 385.499 4.029 20 0 GIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@@H](C)c1cc2ccccc2o1 ZINC000182994375 822407587 /nfs/dbraw/zinc/40/75/87/822407587.db2.gz YLELWFHIISERGK-INIZCTEOSA-N 1 1 393.487 4.002 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182994022 822407606 /nfs/dbraw/zinc/40/76/06/822407606.db2.gz XTEYZYKRWTWTSE-FOIQADDNSA-N 1 1 396.547 4.469 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000182994022 822407608 /nfs/dbraw/zinc/40/76/08/822407608.db2.gz XTEYZYKRWTWTSE-FOIQADDNSA-N 1 1 396.547 4.469 20 0 GIADMO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]3CCOC3)ccc21 ZINC000178781432 822409414 /nfs/dbraw/zinc/40/94/14/822409414.db2.gz DHQTYZXWZSLBIP-IRXDYDNUSA-N 1 1 379.504 4.110 20 0 GIADMO CCCOc1ccc([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000183007636 822410310 /nfs/dbraw/zinc/41/03/10/822410310.db2.gz KSFAGKWQOUIKRD-VGOFRKELSA-N 1 1 381.520 4.098 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc([S@](C)=O)cc1 ZINC000178807856 822412377 /nfs/dbraw/zinc/41/23/77/822412377.db2.gz OBVKQYVSABRHQR-MHZLTWQESA-N 1 1 380.513 4.038 20 0 GIADMO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000045779253 822412658 /nfs/dbraw/zinc/41/26/58/822412658.db2.gz KFJYEJLMPAGCCN-LJQANCHMSA-N 1 1 380.536 4.188 20 0 GIADMO O=C1C[C@H](c2ccccc2)N1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000045802026 822414953 /nfs/dbraw/zinc/41/49/53/822414953.db2.gz LHWONSUSIWPWHO-LJQANCHMSA-N 1 1 377.513 4.407 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCc2cscn2)c1 ZINC000183044041 822416657 /nfs/dbraw/zinc/41/66/57/822416657.db2.gz HMHGRQHASKWXMV-JTSKRJEESA-N 1 1 394.544 4.440 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000178854185 822416706 /nfs/dbraw/zinc/41/67/06/822416706.db2.gz HCTVRWZWUAAVIB-LJQANCHMSA-N 1 1 382.504 4.216 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCc2cccnc2)c1 ZINC000183065959 822419547 /nfs/dbraw/zinc/41/95/47/822419547.db2.gz CDACVJJCZSVRSS-DVECYGJZSA-N 1 1 388.515 4.378 20 0 GIADMO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000183073922 822420861 /nfs/dbraw/zinc/42/08/61/822420861.db2.gz DQSHXOJEWOZXNR-KXNRCCBMSA-N 1 1 399.343 4.030 20 0 GIADMO C[S@](=O)C[C@@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000183086981 822423204 /nfs/dbraw/zinc/42/32/04/822423204.db2.gz XUJHTODMUDIVNI-DFHRPNOPSA-N 1 1 392.524 4.148 20 0 GIADMO CC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2)C1CCCC1 ZINC000454030640 822423750 /nfs/dbraw/zinc/42/37/50/822423750.db2.gz LXCIFKGJXLUYMY-UZLBHIALSA-N 1 1 385.552 4.070 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000045979920 822429156 /nfs/dbraw/zinc/42/91/56/822429156.db2.gz OTWIQOBNIKHZIS-QGZVFWFLSA-N 1 1 394.519 4.199 20 0 GIADMO C[N@H+](Cc1cccc2cnccc21)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000183140917 822430051 /nfs/dbraw/zinc/43/00/51/822430051.db2.gz VJZDNUUPCWSTGU-SFHVURJKSA-N 1 1 390.405 4.125 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179014505 822430131 /nfs/dbraw/zinc/43/01/31/822430131.db2.gz WORKIELHLIGYHY-RBBKRZOGSA-N 1 1 389.503 4.056 20 0 GIADMO Cn1c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)nc2cc(Cl)ccc21 ZINC000183144740 822430711 /nfs/dbraw/zinc/43/07/11/822430711.db2.gz UVVBBQGRBJZIHN-UHFFFAOYSA-N 1 1 397.832 4.279 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2nc(CCc3ccccc3)no2)cc1 ZINC000183148001 822431171 /nfs/dbraw/zinc/43/11/71/822431171.db2.gz HLEFYSXDWNDEMA-KRWDZBQOSA-N 1 1 387.487 4.200 20 0 GIADMO CN(CCc1nccs1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000179042439 822432764 /nfs/dbraw/zinc/43/27/64/822432764.db2.gz BZEMDCFNSATHII-UHFFFAOYSA-N 1 1 379.529 4.090 20 0 GIADMO O=C1O[C@@H](C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CN1c1ccccc1 ZINC000179068878 822434951 /nfs/dbraw/zinc/43/49/51/822434951.db2.gz MBWYMVIIVQWTSV-PZJWPPBQSA-N 1 1 393.874 4.439 20 0 GIADMO C[C@@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000183172671 822435418 /nfs/dbraw/zinc/43/54/18/822435418.db2.gz GEXFGGCNAOGWCY-SHIURHCVSA-N 1 1 399.343 4.030 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000179072950 822435545 /nfs/dbraw/zinc/43/55/45/822435545.db2.gz RCPKPLYOJZCAMF-NVXWUHKLSA-N 1 1 380.960 4.419 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3c4cc(C)ccc4C[C@H]3C)CC2)cs1 ZINC000183176491 822436075 /nfs/dbraw/zinc/43/60/75/822436075.db2.gz LNPDGUVUQHEETR-VFNWGFHPSA-N 1 1 383.561 4.022 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cs1)c1ccc(C)c(C)c1 ZINC000179086769 822436813 /nfs/dbraw/zinc/43/68/13/822436813.db2.gz SSFNBJXYOBSEGP-VQIMIIECSA-N 1 1 387.549 4.180 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cs1)c1ccc(C)c(C)c1 ZINC000179086769 822436816 /nfs/dbraw/zinc/43/68/16/822436816.db2.gz SSFNBJXYOBSEGP-VQIMIIECSA-N 1 1 387.549 4.180 20 0 GIADMO Cc1cccc2nc(C[N@@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)cn21 ZINC000179093389 822437419 /nfs/dbraw/zinc/43/74/19/822437419.db2.gz AVUJDEJBLAWHBU-CYBMUJFWSA-N 1 1 380.439 4.498 20 0 GIADMO Cc1cccc2nc(C[N@H+]3CCC[C@@H](c4nc(C(F)(F)F)cs4)C3)cn21 ZINC000179093389 822437421 /nfs/dbraw/zinc/43/74/21/822437421.db2.gz AVUJDEJBLAWHBU-CYBMUJFWSA-N 1 1 380.439 4.498 20 0 GIADMO FC(F)Oc1cccc([C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CCO2)c1 ZINC000179106064 822438683 /nfs/dbraw/zinc/43/86/83/822438683.db2.gz AVOCDECHPWFTNT-FQEVSTJZSA-N 1 1 385.414 4.047 20 0 GIADMO FC(F)Oc1cccc([C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CCO2)c1 ZINC000179106064 822438687 /nfs/dbraw/zinc/43/86/87/822438687.db2.gz AVOCDECHPWFTNT-FQEVSTJZSA-N 1 1 385.414 4.047 20 0 GIADMO O=C(c1nc2cc(Cl)ccc2s1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000454208215 822439094 /nfs/dbraw/zinc/43/90/94/822439094.db2.gz LWMXWDOSPGZNPP-BLLLJJGKSA-N 1 1 375.925 4.039 20 0 GIADMO Cc1c([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000183194001 822439430 /nfs/dbraw/zinc/43/94/30/822439430.db2.gz KMSZGTJGZTWIIU-SOLBZPMBSA-N 1 1 385.531 4.018 20 0 GIADMO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)cc1 ZINC000046087362 822440695 /nfs/dbraw/zinc/44/06/95/822440695.db2.gz XEZHNJIVBLKTMB-UHFFFAOYSA-N 1 1 378.516 4.079 20 0 GIADMO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000183211614 822442390 /nfs/dbraw/zinc/44/23/90/822442390.db2.gz PASFKTZVKTVNLM-HUUCEWRRSA-N 1 1 390.936 4.132 20 0 GIADMO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000183211614 822442393 /nfs/dbraw/zinc/44/23/93/822442393.db2.gz PASFKTZVKTVNLM-HUUCEWRRSA-N 1 1 390.936 4.132 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccccc2N2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454262793 822445698 /nfs/dbraw/zinc/44/56/98/822445698.db2.gz JHYPXAMXLJNPTF-HXUWFJFHSA-N 1 1 392.547 4.273 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000179191086 822449000 /nfs/dbraw/zinc/44/90/00/822449000.db2.gz MLJQSZVFBDORDD-KRWDZBQOSA-N 1 1 385.939 4.500 20 0 GIADMO C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000179198242 822449781 /nfs/dbraw/zinc/44/97/81/822449781.db2.gz CCHNTZXYKINPMQ-ZDUSSCGKSA-N 1 1 380.355 4.005 20 0 GIADMO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ncc(Br)s1 ZINC000179207706 822451164 /nfs/dbraw/zinc/45/11/64/822451164.db2.gz SQWRSSZXBYWTNV-GFCCVEGCSA-N 1 1 398.345 4.360 20 0 GIADMO C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)s1 ZINC000179212701 822452083 /nfs/dbraw/zinc/45/20/83/822452083.db2.gz CZNYLLVOSJSBQX-CQSZACIVSA-N 1 1 394.382 4.468 20 0 GIADMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000183300082 822455361 /nfs/dbraw/zinc/45/53/61/822455361.db2.gz BZCAYJGUNCJTRO-IEBWSBKVSA-N 1 1 387.911 4.423 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ncc(Br)s1 ZINC000179238551 822455778 /nfs/dbraw/zinc/45/57/78/822455778.db2.gz YITTUVVNDNLVEC-UWVGGRQHSA-N 1 1 388.281 4.113 20 0 GIADMO COCCCCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179268177 822459366 /nfs/dbraw/zinc/45/93/66/822459366.db2.gz FBMVENVHBOZAMH-PKTZIBPZSA-N 1 1 395.547 4.070 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000179322435 822465938 /nfs/dbraw/zinc/46/59/38/822465938.db2.gz BLNKEFONXBBYQR-QGZVFWFLSA-N 1 1 394.563 4.298 20 0 GIADMO O=C1CCCN1Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183381555 822466433 /nfs/dbraw/zinc/46/64/33/822466433.db2.gz MVOPZLLECRHSAD-XMMPIXPASA-N 1 1 389.474 4.222 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+]C(C)(C)c1ccccc1Br ZINC000179328412 822466747 /nfs/dbraw/zinc/46/67/47/822466747.db2.gz SCOHUHZSZWRIOU-UHFFFAOYSA-N 1 1 394.309 4.500 20 0 GIADMO C[C@H](c1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1)[NH+]1CCOCC1 ZINC000179339152 822467966 /nfs/dbraw/zinc/46/79/66/822467966.db2.gz NIMBOWKMAZUZKA-OAHLLOKOSA-N 1 1 379.435 4.019 20 0 GIADMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ncc(C(C)C)s2)cc1 ZINC000183401415 822468661 /nfs/dbraw/zinc/46/86/61/822468661.db2.gz KGMANVGFSBSXHU-HNNXBMFYSA-N 1 1 395.594 4.148 20 0 GIADMO COc1ccc2oc(C)c(C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)c2c1 ZINC000046404190 822470584 /nfs/dbraw/zinc/47/05/84/822470584.db2.gz RUDWJUTYMKIVSB-UHFFFAOYSA-N 1 1 393.487 4.144 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000046404210 822470679 /nfs/dbraw/zinc/47/06/79/822470679.db2.gz KAIBHMHSTVRVSA-UHFFFAOYSA-N 1 1 383.923 4.152 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046406961 822471249 /nfs/dbraw/zinc/47/12/49/822471249.db2.gz JIQAJABJRPKNHQ-KGLIPLIRSA-N 1 1 384.867 4.083 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046406961 822471251 /nfs/dbraw/zinc/47/12/51/822471251.db2.gz JIQAJABJRPKNHQ-KGLIPLIRSA-N 1 1 384.867 4.083 20 0 GIADMO Cc1cnc(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000179363711 822471785 /nfs/dbraw/zinc/47/17/85/822471785.db2.gz ZZIYMRNZWNRQMG-IUODEOHRSA-N 1 1 382.892 4.059 20 0 GIADMO CC[C@@H]1C[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000183459324 822478333 /nfs/dbraw/zinc/47/83/33/822478333.db2.gz WQVQPKQPYSLTLG-DHIUTWEWSA-N 1 1 392.543 4.125 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1nc2c(s1)CCCC2 ZINC000179413092 822479118 /nfs/dbraw/zinc/47/91/18/822479118.db2.gz QXVAXVTWBNNDJV-MRXNPFEDSA-N 1 1 379.529 4.083 20 0 GIADMO Cc1cc(N2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)nc(C(C)C)n1 ZINC000046503575 822479096 /nfs/dbraw/zinc/47/90/96/822479096.db2.gz ZRQBDCLJKJGKIT-UHFFFAOYSA-N 1 1 395.938 4.432 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526631 822481090 /nfs/dbraw/zinc/48/10/90/822481090.db2.gz PWDSKOXJCCNSFO-GOSISDBHSA-N 1 1 376.504 4.008 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526631 822481094 /nfs/dbraw/zinc/48/10/94/822481094.db2.gz PWDSKOXJCCNSFO-GOSISDBHSA-N 1 1 376.504 4.008 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000183490695 822484596 /nfs/dbraw/zinc/48/45/96/822484596.db2.gz DWXKLNFLJDWUTL-UHFFFAOYSA-N 1 1 375.432 4.044 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cc1OC ZINC000183493851 822485470 /nfs/dbraw/zinc/48/54/70/822485470.db2.gz VNOUQNVHKGCGGO-LBPRGKRZSA-N 1 1 380.847 4.094 20 0 GIADMO CCCn1ccc2cc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)ccc21 ZINC000179465699 822486823 /nfs/dbraw/zinc/48/68/23/822486823.db2.gz WHRYVWVVCRKCIO-HSZRJFAPSA-N 1 1 391.515 4.188 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000179466276 822486839 /nfs/dbraw/zinc/48/68/39/822486839.db2.gz HBUZUZLKOQUYGZ-QGZVFWFLSA-N 1 1 379.504 4.421 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000183506000 822487416 /nfs/dbraw/zinc/48/74/16/822487416.db2.gz QIYJHDRIPKETMI-ZDUSSCGKSA-N 1 1 394.874 4.402 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)CCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179472491 822487628 /nfs/dbraw/zinc/48/76/28/822487628.db2.gz SFJJYHWPYHOKRD-LIRRHRJNSA-N 1 1 380.916 4.282 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)[C@H](C)C1 ZINC000183518551 822489022 /nfs/dbraw/zinc/48/90/22/822489022.db2.gz BYGXSRIFBJOLBY-DYVFJYSZSA-N 1 1 383.483 4.336 20 0 GIADMO Cc1coc(-c2cccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)n1 ZINC000183519177 822489115 /nfs/dbraw/zinc/48/91/15/822489115.db2.gz UOZYRNMMFKMIKQ-FUHWJXTLSA-N 1 1 382.508 4.425 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(-c2ccccn2)c1 ZINC000179485219 822489585 /nfs/dbraw/zinc/48/95/85/822489585.db2.gz PHWXSAJNGHEIBY-UHFFFAOYSA-N 1 1 375.472 4.218 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(-c2ccccn2)c1 ZINC000179485219 822489587 /nfs/dbraw/zinc/48/95/87/822489587.db2.gz PHWXSAJNGHEIBY-UHFFFAOYSA-N 1 1 375.472 4.218 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000454520785 822490515 /nfs/dbraw/zinc/49/05/15/822490515.db2.gz PLVXIDBHSPYURQ-FGSXEWAUSA-N 1 1 387.568 4.061 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C2CC2)n1 ZINC000183544251 822492659 /nfs/dbraw/zinc/49/26/59/822492659.db2.gz WROXKAWJGVDQRI-IRXDYDNUSA-N 1 1 377.579 4.457 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179504610 822492714 /nfs/dbraw/zinc/49/27/14/822492714.db2.gz VOAYLTNAMVPZLJ-HNNXBMFYSA-N 1 1 395.532 4.194 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179504610 822492715 /nfs/dbraw/zinc/49/27/15/822492715.db2.gz VOAYLTNAMVPZLJ-HNNXBMFYSA-N 1 1 395.532 4.194 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C2CC2)n1 ZINC000183549215 822493333 /nfs/dbraw/zinc/49/33/33/822493333.db2.gz FDWIKQHRSAPKCO-RBUKOAKNSA-N 1 1 375.513 4.145 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183553407 822493933 /nfs/dbraw/zinc/49/39/33/822493933.db2.gz XNLXGVUUSSXTHH-PXAZEXFGSA-N 1 1 393.940 4.490 20 0 GIADMO Cc1c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cccc1C(F)(F)F ZINC000183554736 822494094 /nfs/dbraw/zinc/49/40/94/822494094.db2.gz ANPIPEQYTMBQGL-LJQANCHMSA-N 1 1 392.421 4.150 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3CC(F)(F)F)CC2)[nH+]c1 ZINC000454546474 822494946 /nfs/dbraw/zinc/49/49/46/822494946.db2.gz ISBVGMNIOQXIKX-RDJZCZTQSA-N 1 1 398.473 4.169 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179519516 822495951 /nfs/dbraw/zinc/49/59/51/822495951.db2.gz QSAYBDNTNYVLQI-GOSISDBHSA-N 1 1 382.508 4.017 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179519516 822495954 /nfs/dbraw/zinc/49/59/54/822495954.db2.gz QSAYBDNTNYVLQI-GOSISDBHSA-N 1 1 382.508 4.017 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179519516 822495956 /nfs/dbraw/zinc/49/59/56/822495956.db2.gz QSAYBDNTNYVLQI-GOSISDBHSA-N 1 1 382.508 4.017 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)s1 ZINC000183612699 822501237 /nfs/dbraw/zinc/50/12/37/822501237.db2.gz JCUFUZCSHSXELB-CYBMUJFWSA-N 1 1 398.454 4.024 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)s1 ZINC000183612699 822501239 /nfs/dbraw/zinc/50/12/39/822501239.db2.gz JCUFUZCSHSXELB-CYBMUJFWSA-N 1 1 398.454 4.024 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000454609604 822505610 /nfs/dbraw/zinc/50/56/10/822505610.db2.gz VNOGLFZROSVSPD-UKBAYJJMSA-N 1 1 397.485 4.412 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000179573478 822505644 /nfs/dbraw/zinc/50/56/44/822505644.db2.gz WZGUZCOTOGDMSY-VBKZILBWSA-N 1 1 392.507 4.128 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000183664840 822507894 /nfs/dbraw/zinc/50/78/94/822507894.db2.gz COTXBXOTCMXCIZ-UHFFFAOYSA-N 1 1 394.862 4.306 20 0 GIADMO COc1ccc(-c2nc(CN[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)no2)cc1 ZINC000183672454 822508951 /nfs/dbraw/zinc/50/89/51/822508951.db2.gz JLHHLEGHMHFHIO-HNNXBMFYSA-N 1 1 389.459 4.090 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000454630342 822509336 /nfs/dbraw/zinc/50/93/36/822509336.db2.gz YNYDJVQKHCRWBW-RWQQGDIJSA-N 1 1 397.485 4.269 20 0 GIADMO CSCC1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000454630813 822509489 /nfs/dbraw/zinc/50/94/89/822509489.db2.gz ZCQAPAOVJMQOLS-RLHVNXBHSA-N 1 1 389.609 4.118 20 0 GIADMO Cc1cccc(C(C)(C)[NH2+]Cc2nnc(-c3ccc(Br)o3)o2)c1 ZINC000179596411 822509549 /nfs/dbraw/zinc/50/95/49/822509549.db2.gz RTWWQVOUCLHOLN-UHFFFAOYSA-N 1 1 376.254 4.425 20 0 GIADMO CC1(CC(F)(F)F)CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000454642889 822511239 /nfs/dbraw/zinc/51/12/39/822511239.db2.gz GMCJIZYLDJOUOO-UHFFFAOYSA-N 1 1 387.471 4.042 20 0 GIADMO CC(C)([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000179607728 822511912 /nfs/dbraw/zinc/51/19/12/822511912.db2.gz BEBKQOIONFWFJS-UHFFFAOYSA-N 1 1 395.816 4.359 20 0 GIADMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CC3 ZINC000046751176 822512807 /nfs/dbraw/zinc/51/28/07/822512807.db2.gz CCVCLLLYAYQFLZ-SFHVURJKSA-N 1 1 382.552 4.199 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000046752070 822513041 /nfs/dbraw/zinc/51/30/41/822513041.db2.gz NIHRVXFSLMBWAM-OALUTQOASA-N 1 1 398.551 4.229 20 0 GIADMO CC1CC[NH+](Cc2cccc(CNCc3cncc(Br)c3)c2)CC1 ZINC000183700277 822513625 /nfs/dbraw/zinc/51/36/25/822513625.db2.gz DAWPDRWTICXOBA-UHFFFAOYSA-N 1 1 388.353 4.366 20 0 GIADMO Cc1c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cnn1-c1ccc(F)cc1 ZINC000046756683 822513682 /nfs/dbraw/zinc/51/36/82/822513682.db2.gz GAPWINCDHRQNFA-UHFFFAOYSA-N 1 1 394.494 4.090 20 0 GIADMO C[C@]12CN(C(=O)Nc3ccccc3C[NH+]3CCSCC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000454663283 822514124 /nfs/dbraw/zinc/51/41/24/822514124.db2.gz UVTHOCYVISIQOC-ITBLURSFSA-N 1 1 385.577 4.135 20 0 GIADMO CCS[C@@H](C)c1noc(C[NH2+][C@](C)(CC)COc2ncccc2Cl)n1 ZINC000179628751 822515668 /nfs/dbraw/zinc/51/56/68/822515668.db2.gz PGWRWKYHAWVKAD-YVEFUNNKSA-N 1 1 384.933 4.269 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)CC[C@@H]21 ZINC000179631788 822516444 /nfs/dbraw/zinc/51/64/44/822516444.db2.gz RBNSUHNMLKMJTM-UNMCSNQZSA-N 1 1 391.515 4.237 20 0 GIADMO O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183721579 822516638 /nfs/dbraw/zinc/51/66/38/822516638.db2.gz VJVRAFPDYGMBOH-IFMALSPDSA-N 1 1 381.495 4.081 20 0 GIADMO CO[C@@H](C)c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454685549 822517144 /nfs/dbraw/zinc/51/71/44/822517144.db2.gz RADBGEGMHFTFFI-OALUTQOASA-N 1 1 381.520 4.380 20 0 GIADMO Cc1cc2cc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)oc2c(Br)c1 ZINC000183731315 822517905 /nfs/dbraw/zinc/51/79/05/822517905.db2.gz KZWTVGBYGZYZFM-XJKSGUPXSA-N 1 1 391.309 4.060 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NCc2cncc(Br)c2)C[C@@H](C)O1 ZINC000183739204 822519599 /nfs/dbraw/zinc/51/95/99/822519599.db2.gz ZMLUGLSREYJLRQ-HUUCEWRRSA-N 1 1 390.325 4.065 20 0 GIADMO CCC[C@@H]1CN(C(=O)CCc2c(C)noc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000179654578 822521072 /nfs/dbraw/zinc/52/10/72/822521072.db2.gz CABQPASPZZKEHV-GOSISDBHSA-N 1 1 389.927 4.082 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000179674241 822524478 /nfs/dbraw/zinc/52/44/78/822524478.db2.gz CRZLATCSFBLTRI-CMPLNLGQSA-N 1 1 393.247 4.023 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@@H](C)CC(C)(C)C3)CC2)oc1C ZINC000183769400 822525881 /nfs/dbraw/zinc/52/58/81/822525881.db2.gz YUDQHDFWNATKKV-BEFAXECRSA-N 1 1 375.557 4.082 20 0 GIADMO Cc1csc(CNC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000454743359 822526683 /nfs/dbraw/zinc/52/66/83/822526683.db2.gz UNZMOQCYOHNULX-KSSFIOAISA-N 1 1 395.931 4.341 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCCN(c4ccccn4)CC3)o2)cc1C ZINC000183780650 822527564 /nfs/dbraw/zinc/52/75/64/822527564.db2.gz HPOOMPAEOZSIDW-SFHVURJKSA-N 1 1 377.492 4.022 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCCN(c4ccccn4)CC3)o2)cc1C ZINC000183780650 822527566 /nfs/dbraw/zinc/52/75/66/822527566.db2.gz HPOOMPAEOZSIDW-SFHVURJKSA-N 1 1 377.492 4.022 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179694760 822529052 /nfs/dbraw/zinc/52/90/52/822529052.db2.gz YBRUCOHWUYGDMB-UHFFFAOYSA-N 1 1 392.478 4.154 20 0 GIADMO C[C@H](NC(=O)NC[C@@H]1CCCCC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454760675 822529395 /nfs/dbraw/zinc/52/93/95/822529395.db2.gz DBIUZNQEQGWHGU-WDSOQIARSA-N 1 1 379.495 4.022 20 0 GIADMO CC(C)(C)[S@@](=O)CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183818394 822531356 /nfs/dbraw/zinc/53/13/56/822531356.db2.gz DXKQFYMAOMAXLE-AOMKIAJQSA-N 1 1 384.339 4.268 20 0 GIADMO C[C@H](NC(=O)N1CCc2ccc(-c3ccccc3)cc2C1)C1=CC[N@@H+](C)CC1 ZINC000454778695 822532423 /nfs/dbraw/zinc/53/24/23/822532423.db2.gz SLQPDENGGFGGQH-SFHVURJKSA-N 1 1 375.516 4.072 20 0 GIADMO COc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc(OC)c1OC ZINC000046934541 822532502 /nfs/dbraw/zinc/53/25/02/822532502.db2.gz WKOLITYJGRXXRU-INIZCTEOSA-N 1 1 398.503 4.197 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCNC(=O)c3ccccc3)cc2)C1 ZINC000046934680 822532656 /nfs/dbraw/zinc/53/26/56/822532656.db2.gz BZAKHGKIAJDDPF-LJQANCHMSA-N 1 1 393.531 4.067 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000046934932 822532781 /nfs/dbraw/zinc/53/27/81/822532781.db2.gz AYSLYKCMNCCCQG-KRWDZBQOSA-N 1 1 390.483 4.097 20 0 GIADMO COc1ccccc1-c1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000454784001 822533384 /nfs/dbraw/zinc/53/33/84/822533384.db2.gz UZPZZHMVTDWKBO-QHCPKHFHSA-N 1 1 379.504 4.312 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2SCC#N)C1 ZINC000046980759 822534862 /nfs/dbraw/zinc/53/48/62/822534862.db2.gz STQDKIAGJRCWQD-GOSISDBHSA-N 1 1 393.556 4.464 20 0 GIADMO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c(C)o1 ZINC000183844480 822535021 /nfs/dbraw/zinc/53/50/21/822535021.db2.gz AASHAVMPYCDNGV-HNNXBMFYSA-N 1 1 380.492 4.297 20 0 GIADMO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000046988569 822536051 /nfs/dbraw/zinc/53/60/51/822536051.db2.gz OFRPQPBUXJWBCZ-QGZVFWFLSA-N 1 1 399.535 4.255 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000046988398 822536116 /nfs/dbraw/zinc/53/61/16/822536116.db2.gz OVAKNSYEIKCJIT-OAHLLOKOSA-N 1 1 375.538 4.025 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H](CCCO)c3ccccc3)cs2)c(OC)c1 ZINC000179727061 822536221 /nfs/dbraw/zinc/53/62/21/822536221.db2.gz OILJBWWSADXBHP-HXUWFJFHSA-N 1 1 398.528 4.431 20 0 GIADMO CC1([C@@H]2CCC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)OCCO1 ZINC000183857832 822536873 /nfs/dbraw/zinc/53/68/73/822536873.db2.gz WXYAWYLGKGLCSX-MRXNPFEDSA-N 1 1 392.952 4.362 20 0 GIADMO CSCC1CCC(NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000454809041 822538246 /nfs/dbraw/zinc/53/82/46/822538246.db2.gz MKVQICUOIPICDR-MUYFXNHWSA-N 1 1 391.581 4.123 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000047039605 822539042 /nfs/dbraw/zinc/53/90/42/822539042.db2.gz IOYPWBBUYMYLCZ-KDURUIRLSA-N 1 1 383.536 4.149 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000179740353 822540062 /nfs/dbraw/zinc/54/00/62/822540062.db2.gz LNSPDKRQYSEGAS-CQSZACIVSA-N 1 1 390.915 4.077 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000179749566 822542212 /nfs/dbraw/zinc/54/22/12/822542212.db2.gz RISZVLVZYPDTLZ-UHFFFAOYSA-N 1 1 394.412 4.373 20 0 GIADMO CC(=O)Nc1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)ccc1C ZINC000047074838 822542576 /nfs/dbraw/zinc/54/25/76/822542576.db2.gz LXBBPNPKAQRFGD-UHFFFAOYSA-N 1 1 386.521 4.038 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1nccs1 ZINC000183917989 822546159 /nfs/dbraw/zinc/54/61/59/822546159.db2.gz HVZJMTSNLOBCRP-GOSISDBHSA-N 1 1 393.556 4.426 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1nccs1 ZINC000183917989 822546163 /nfs/dbraw/zinc/54/61/63/822546163.db2.gz HVZJMTSNLOBCRP-GOSISDBHSA-N 1 1 393.556 4.426 20 0 GIADMO CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047127964 822546390 /nfs/dbraw/zinc/54/63/90/822546390.db2.gz XVGWXRZRKLUVOZ-BGYRXZFFSA-N 1 1 395.547 4.028 20 0 GIADMO CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047127964 822546395 /nfs/dbraw/zinc/54/63/95/822546395.db2.gz XVGWXRZRKLUVOZ-BGYRXZFFSA-N 1 1 395.547 4.028 20 0 GIADMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000179767403 822548025 /nfs/dbraw/zinc/54/80/25/822548025.db2.gz DEIBYLHTSFIGLT-UHFFFAOYSA-N 1 1 398.547 4.163 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1SCc1cscn1 ZINC000047143104 822548320 /nfs/dbraw/zinc/54/83/20/822548320.db2.gz HFFMXGUTDHTMEY-HNNXBMFYSA-N 1 1 375.563 4.040 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000047146630 822548330 /nfs/dbraw/zinc/54/83/30/822548330.db2.gz NGHOQJVKHIVMKA-LBPRGKRZSA-N 1 1 396.318 4.419 20 0 GIADMO CCCCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1OC ZINC000179780069 822551480 /nfs/dbraw/zinc/55/14/80/822551480.db2.gz MBLDZDGYPCQCBL-LJQANCHMSA-N 1 1 394.519 4.296 20 0 GIADMO C[C@H](C[N@@H+](C)CCCCCCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000183946480 822551826 /nfs/dbraw/zinc/55/18/26/822551826.db2.gz XJBMDHSHAFORCE-MRXNPFEDSA-N 1 1 385.533 4.035 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC000047190814 822552788 /nfs/dbraw/zinc/55/27/88/822552788.db2.gz DXLOJNSFUNDBHJ-OXJNMPFZSA-N 1 1 377.488 4.126 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000183954057 822553411 /nfs/dbraw/zinc/55/34/11/822553411.db2.gz KRBRWTQKAVOBCM-UHFFFAOYSA-N 1 1 394.991 4.002 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)s1 ZINC000183960946 822554181 /nfs/dbraw/zinc/55/41/81/822554181.db2.gz JWYFIOGQOKYZCX-ZDUSSCGKSA-N 1 1 375.563 4.194 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000047214929 822554893 /nfs/dbraw/zinc/55/48/93/822554893.db2.gz YEDOISUEHGXIEB-IBGZPJMESA-N 1 1 393.531 4.323 20 0 GIADMO CC(C)[C@@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000179803481 822556029 /nfs/dbraw/zinc/55/60/29/822556029.db2.gz XENUVTIFGJOPOG-MORSLUCNSA-N 1 1 393.915 4.026 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000183979915 822557415 /nfs/dbraw/zinc/55/74/15/822557415.db2.gz WMGITUUYIIGUMP-CQSZACIVSA-N 1 1 375.415 4.247 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1C ZINC000047260423 822559587 /nfs/dbraw/zinc/55/95/87/822559587.db2.gz LVUIHBIZZONUEG-LJQANCHMSA-N 1 1 379.504 4.060 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3csc(-c4cccs4)n3)C2)n1 ZINC000047261142 822559716 /nfs/dbraw/zinc/55/97/16/822559716.db2.gz FBMABCCTBFSPJZ-HNNXBMFYSA-N 1 1 398.557 4.426 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3csc(-c4cccs4)n3)C2)n1 ZINC000047261142 822559718 /nfs/dbraw/zinc/55/97/18/822559718.db2.gz FBMABCCTBFSPJZ-HNNXBMFYSA-N 1 1 398.557 4.426 20 0 GIADMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccccc1N1CCOCC1 ZINC000047265272 822559994 /nfs/dbraw/zinc/55/99/94/822559994.db2.gz CJSUCBZWOVWPEU-UHFFFAOYSA-N 1 1 394.437 4.096 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000047275882 822561213 /nfs/dbraw/zinc/56/12/13/822561213.db2.gz UANUXCIHSWWBIS-UHFFFAOYSA-N 1 1 384.439 4.407 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000047289993 822562563 /nfs/dbraw/zinc/56/25/63/822562563.db2.gz ADOHQSNWENTDSU-KDURUIRLSA-N 1 1 393.531 4.148 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000047289993 822562567 /nfs/dbraw/zinc/56/25/67/822562567.db2.gz ADOHQSNWENTDSU-KDURUIRLSA-N 1 1 393.531 4.148 20 0 GIADMO Cc1cc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2C)cc(N2CCCC2)[nH+]1 ZINC000454968210 822564428 /nfs/dbraw/zinc/56/44/28/822564428.db2.gz FKLUFAHCSQWIFK-OAQYLSRUSA-N 1 1 396.510 4.484 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2c3ccccc3CCC[C@H]2C)cn1 ZINC000184017610 822564867 /nfs/dbraw/zinc/56/48/67/822564867.db2.gz YQRHAXNPQZBWTC-OPAMFIHVSA-N 1 1 389.503 4.089 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2cccc(OCCF)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454971841 822564887 /nfs/dbraw/zinc/56/48/87/822564887.db2.gz WLCDLXBDDGTAMM-SFHVURJKSA-N 1 1 385.483 4.021 20 0 GIADMO CCOc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047338862 822568630 /nfs/dbraw/zinc/56/86/30/822568630.db2.gz SLHUKRPBIYWQQA-UHFFFAOYSA-N 1 1 389.446 4.150 20 0 GIADMO CCCCn1ccnc1-c1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000455006495 822569415 /nfs/dbraw/zinc/56/94/15/822569415.db2.gz XWIRNEYBWZCOGK-QHCPKHFHSA-N 1 1 395.551 4.300 20 0 GIADMO Cc1cccc(C)c1NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000047347051 822569478 /nfs/dbraw/zinc/56/94/78/822569478.db2.gz REVKILMUPZOOEB-UHFFFAOYSA-N 1 1 394.563 4.023 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](Cn2cnc(-c3ccccc3)n2)CC1 ZINC000179875248 822569498 /nfs/dbraw/zinc/56/94/98/822569498.db2.gz RCRCHGWSSUIKSG-UHFFFAOYSA-N 1 1 386.503 4.152 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000179874809 822569559 /nfs/dbraw/zinc/56/95/59/822569559.db2.gz AVQSUFPCSSTUOX-QFIPXVFZSA-N 1 1 388.515 4.167 20 0 GIADMO O=C(c1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000179878348 822570117 /nfs/dbraw/zinc/57/01/17/822570117.db2.gz SDBILTPBPBIROD-UHFFFAOYSA-N 1 1 381.426 4.450 20 0 GIADMO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000179892863 822572771 /nfs/dbraw/zinc/57/27/71/822572771.db2.gz OVNWQQBYUHLZHY-JKSUJKDBSA-N 1 1 385.483 4.112 20 0 GIADMO Clc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1Br ZINC000179907817 822575032 /nfs/dbraw/zinc/57/50/32/822575032.db2.gz WPKCNCAFUWSHMB-OAHLLOKOSA-N 1 1 388.733 4.263 20 0 GIADMO O=C(Nc1ncccc1Cl)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000179946285 822582848 /nfs/dbraw/zinc/58/28/48/822582848.db2.gz XVQARGAJEMHRNF-KRWDZBQOSA-N 1 1 383.801 4.128 20 0 GIADMO Cc1cnn(-c2ccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2F)c1 ZINC000179956966 822585611 /nfs/dbraw/zinc/58/56/11/822585611.db2.gz RBNIUAIKSXLHIW-UWJYYQICSA-N 1 1 379.483 4.037 20 0 GIADMO Cc1nnc(C[NH2+][C@](C)(Cc2cccc(Br)c2)c2ccccc2)n1C ZINC000179959367 822585827 /nfs/dbraw/zinc/58/58/27/822585827.db2.gz JIILRGKWILPNOX-HXUWFJFHSA-N 1 1 399.336 4.134 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000179959406 822585854 /nfs/dbraw/zinc/58/58/54/822585854.db2.gz DGTSBDXCDDBUGZ-NSHDSACASA-N 1 1 384.423 4.438 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@H]2C2CC2)cc1)C[C@@H]1CCCCO1 ZINC000455079585 822586352 /nfs/dbraw/zinc/58/63/52/822586352.db2.gz SYWMSTLJQTXMNL-VXKWHMMOSA-N 1 1 385.552 4.482 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCC[C@@H]2CF)cc1)C[C@H]1CCCCO1 ZINC000455079614 822586409 /nfs/dbraw/zinc/58/64/09/822586409.db2.gz TZCRVNZTRMSMQP-NHCUHLMSSA-N 1 1 391.531 4.432 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000179963287 822586535 /nfs/dbraw/zinc/58/65/35/822586535.db2.gz GLQHGQLDDOKDQE-UHFFFAOYSA-N 1 1 380.410 4.444 20 0 GIADMO CSc1ncc(Cl)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000047522290 822586873 /nfs/dbraw/zinc/58/68/73/822586873.db2.gz YQGVSGXJQNZCRT-ZDUSSCGKSA-N 1 1 390.940 4.479 20 0 GIADMO CC(C)[N@@H+](Cc1ccc(NC(=O)NCC[C@@H](C)F)cc1)C[C@H]1CCCCO1 ZINC000455082970 822587032 /nfs/dbraw/zinc/58/70/32/822587032.db2.gz ZEWYQBGTGMJZBJ-YLJYHZDGSA-N 1 1 379.520 4.336 20 0 GIADMO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539969 822588501 /nfs/dbraw/zinc/58/85/01/822588501.db2.gz MQJXJPXLWAKQDB-INIZCTEOSA-N 1 1 397.519 4.156 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000455128487 822593493 /nfs/dbraw/zinc/59/34/93/822593493.db2.gz UFQWIHOHEOCGQD-WOJBJXKFSA-N 1 1 395.572 4.039 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)C[C@H](C)O1 ZINC000047588674 822594625 /nfs/dbraw/zinc/59/46/25/822594625.db2.gz OLXNWTOQZMJERJ-GASCZTMLSA-N 1 1 390.886 4.018 20 0 GIADMO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180012160 822596155 /nfs/dbraw/zinc/59/61/55/822596155.db2.gz SAVILEZYIAATIF-HNNXBMFYSA-N 1 1 379.895 4.322 20 0 GIADMO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000455144879 822596347 /nfs/dbraw/zinc/59/63/47/822596347.db2.gz FJNFYXUWVSYUCT-LBPRGKRZSA-N 1 1 398.320 4.235 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccnc(SC(C)(C)C)c3)sc2C1 ZINC000180016254 822597038 /nfs/dbraw/zinc/59/70/38/822597038.db2.gz SPOPFFWOHKQTSC-UHFFFAOYSA-N 1 1 376.551 4.059 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3ccnc(SC(C)(C)C)c3)sc2C1 ZINC000180016254 822597039 /nfs/dbraw/zinc/59/70/39/822597039.db2.gz SPOPFFWOHKQTSC-UHFFFAOYSA-N 1 1 376.551 4.059 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000047676819 822599436 /nfs/dbraw/zinc/59/94/36/822599436.db2.gz RKZHDFMHLKPYTG-UHFFFAOYSA-N 1 1 399.498 4.173 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3nc4ccc(Cl)cc4n3C)cn2)n1 ZINC000180025472 822599598 /nfs/dbraw/zinc/59/95/98/822599598.db2.gz ZWSHTCKKBJONAE-OAHLLOKOSA-N 1 1 394.910 4.275 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000455164494 822600187 /nfs/dbraw/zinc/60/01/87/822600187.db2.gz JZMHNYSGFHBZRE-PMACEKPBSA-N 1 1 393.522 4.366 20 0 GIADMO Cc1ccc(SCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000047714850 822602864 /nfs/dbraw/zinc/60/28/64/822602864.db2.gz FKRLWVBOVMPOTJ-UHFFFAOYSA-N 1 1 390.499 4.146 20 0 GIADMO O=C(CCc1c[nH]c2ccccc12)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715386 822603013 /nfs/dbraw/zinc/60/30/13/822603013.db2.gz SCVMULAPUDCJCE-UHFFFAOYSA-N 1 1 397.469 4.160 20 0 GIADMO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000184271734 822606737 /nfs/dbraw/zinc/60/67/37/822606737.db2.gz JQYDZJUXVOIJRP-IRXDYDNUSA-N 1 1 379.529 4.396 20 0 GIADMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797394 822609698 /nfs/dbraw/zinc/60/96/98/822609698.db2.gz SWYKDIAOVWNDJL-CRAIPNDOSA-N 1 1 392.490 4.039 20 0 GIADMO COc1cc2nc(C[NH2+][C@@H](c3ccccc3C)C(C)(C)C)[nH]c(=O)c2cc1OC ZINC000180085776 822612278 /nfs/dbraw/zinc/61/22/78/822612278.db2.gz CARXPLJWJSGTCJ-NRFANRHFSA-N 1 1 395.503 4.126 20 0 GIADMO C[C@@H](c1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1)[NH+]1CCOCC1 ZINC000184327673 822615886 /nfs/dbraw/zinc/61/58/86/822615886.db2.gz RWBKZHSBRXVRPI-ZDUSSCGKSA-N 1 1 392.862 4.021 20 0 GIADMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1nc2ccccc2n1C ZINC000180105865 822616234 /nfs/dbraw/zinc/61/62/34/822616234.db2.gz LSCKQAUMQDEYMM-GCJKJVERSA-N 1 1 398.510 4.474 20 0 GIADMO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(OC)cc1 ZINC000180108789 822617025 /nfs/dbraw/zinc/61/70/25/822617025.db2.gz QPHAWJQUDOXAPE-DYESRHJHSA-N 1 1 386.561 4.279 20 0 GIADMO CCCc1c(NC(=O)NCCCC[N@@H+](C)C2CC2)cnn1-c1ccc(C)cc1 ZINC000455263091 822620627 /nfs/dbraw/zinc/62/06/27/822620627.db2.gz AREISVRIFKFLNU-UHFFFAOYSA-N 1 1 383.540 4.129 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1nc(C)cs1 ZINC000184357288 822621359 /nfs/dbraw/zinc/62/13/59/822621359.db2.gz FVWLOHGJRMDCTL-LJQANCHMSA-N 1 1 394.544 4.289 20 0 GIADMO CCCc1c(NC(=O)NCCCC[N@@H+](C)C2CC2)cnn1-c1ccccc1C ZINC000455274965 822624347 /nfs/dbraw/zinc/62/43/47/822624347.db2.gz MVIOIRNEGYTSSO-UHFFFAOYSA-N 1 1 383.540 4.129 20 0 GIADMO O=C(C[N@@H+](C1CC1)C1CCCCC1)Nc1ccccc1I ZINC000048008820 822624999 /nfs/dbraw/zinc/62/49/99/822624999.db2.gz SKHRZZVJMIUXEJ-UHFFFAOYSA-N 1 1 398.288 4.027 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@H](C)C1 ZINC000184379038 822625018 /nfs/dbraw/zinc/62/50/18/822625018.db2.gz IQBHMVIHLMAQPN-BXUZGUMPSA-N 1 1 375.847 4.135 20 0 GIADMO CCc1c(NC(=O)NCCCC[N@@H+](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000455282635 822626409 /nfs/dbraw/zinc/62/64/09/822626409.db2.gz OMLIMCMWDUPELF-UHFFFAOYSA-N 1 1 389.931 4.084 20 0 GIADMO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180149117 822627101 /nfs/dbraw/zinc/62/71/01/822627101.db2.gz OMSMKXSQYBZATO-HNNXBMFYSA-N 1 1 387.911 4.411 20 0 GIADMO CCc1c(NC(=O)NCCCC[N@@H+](C)C2CC2)cnn1-c1cccc(Cl)c1 ZINC000455288758 822628389 /nfs/dbraw/zinc/62/83/89/822628389.db2.gz WAQAMBHUVILWFA-UHFFFAOYSA-N 1 1 389.931 4.084 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccnc1 ZINC000048067526 822628938 /nfs/dbraw/zinc/62/89/38/822628938.db2.gz BUORZUPLDMMOOI-OTWHNJEPSA-N 1 1 380.536 4.120 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2OCC(F)(F)F)CC1 ZINC000048072765 822629169 /nfs/dbraw/zinc/62/91/69/822629169.db2.gz PNGOXODKPSXWAK-UHFFFAOYSA-N 1 1 387.446 4.212 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)c1nc(C)cs1 ZINC000184412572 822630348 /nfs/dbraw/zinc/63/03/48/822630348.db2.gz HODWASKJEOSLFV-MJGOQNOKSA-N 1 1 375.538 4.014 20 0 GIADMO COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC1CCCC1 ZINC000184427863 822633156 /nfs/dbraw/zinc/63/31/56/822633156.db2.gz HFLOPUYDOGXRQI-NQIIRXRSSA-N 1 1 398.547 4.106 20 0 GIADMO O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000184438111 822634957 /nfs/dbraw/zinc/63/49/57/822634957.db2.gz CKIJJIBAPXLISU-FXAWDEMLSA-N 1 1 396.560 4.215 20 0 GIADMO Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000455328117 822635256 /nfs/dbraw/zinc/63/52/56/822635256.db2.gz QQXURGMXOHXICI-QGZVFWFLSA-N 1 1 378.520 4.395 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(OC(C)C)cc1C)[NH+](C)C ZINC000048120985 822635315 /nfs/dbraw/zinc/63/53/15/822635315.db2.gz UZWNPAQBMGZFOB-FQEVSTJZSA-N 1 1 385.508 4.215 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(N3CCCC3)c(F)c2)C1 ZINC000048139356 822637802 /nfs/dbraw/zinc/63/78/02/822637802.db2.gz HRGNHLMWCBCTDR-QGZVFWFLSA-N 1 1 376.520 4.060 20 0 GIADMO CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000455353094 822638910 /nfs/dbraw/zinc/63/89/10/822638910.db2.gz ZADMTPOBCKJCSV-INIZCTEOSA-N 1 1 385.512 4.062 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000180208749 822639803 /nfs/dbraw/zinc/63/98/03/822639803.db2.gz CLGYZIFXJGRKEO-JOCHJYFZSA-N 1 1 377.536 4.100 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000180208749 822639807 /nfs/dbraw/zinc/63/98/07/822639807.db2.gz CLGYZIFXJGRKEO-JOCHJYFZSA-N 1 1 377.536 4.100 20 0 GIADMO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc(Br)c2cccnc12 ZINC000180213202 822640581 /nfs/dbraw/zinc/64/05/81/822640581.db2.gz PTAZWDULUVHLGH-CQSZACIVSA-N 1 1 398.304 4.046 20 0 GIADMO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc(Br)c2cccnc12 ZINC000180213202 822640584 /nfs/dbraw/zinc/64/05/84/822640584.db2.gz PTAZWDULUVHLGH-CQSZACIVSA-N 1 1 398.304 4.046 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@H](CC(=O)OC(C)C)C3)nc(N)c2c1C ZINC000184471060 822641836 /nfs/dbraw/zinc/64/18/36/822641836.db2.gz DRUKRWATWKERJJ-UKRRQHHQSA-N 1 1 390.553 4.005 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@H](CC(=O)OC(C)C)C3)nc(N)c2c1C ZINC000184471060 822641838 /nfs/dbraw/zinc/64/18/38/822641838.db2.gz DRUKRWATWKERJJ-UKRRQHHQSA-N 1 1 390.553 4.005 20 0 GIADMO Cc1ccc(OCc2ccccc2)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000455374487 822642737 /nfs/dbraw/zinc/64/27/37/822642737.db2.gz AGTHYLLUAJWHPH-IHWFROFDSA-N 1 1 379.504 4.321 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000184480167 822643217 /nfs/dbraw/zinc/64/32/17/822643217.db2.gz WSXWSUMYCNEHTR-LJQANCHMSA-N 1 1 394.515 4.346 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000184480167 822643219 /nfs/dbraw/zinc/64/32/19/822643219.db2.gz WSXWSUMYCNEHTR-LJQANCHMSA-N 1 1 394.515 4.346 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000180229414 822643953 /nfs/dbraw/zinc/64/39/53/822643953.db2.gz OCNMRXMISUKWSI-CYFNAFFESA-N 1 1 386.858 4.241 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000048230331 822647318 /nfs/dbraw/zinc/64/73/18/822647318.db2.gz DTSZTDGXCZPCJJ-STQMWFEESA-N 1 1 393.890 4.293 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184519787 822649773 /nfs/dbraw/zinc/64/97/73/822649773.db2.gz SCRQVQHLFGLCOJ-AWEZNQCLSA-N 1 1 397.500 4.117 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000048269654 822650063 /nfs/dbraw/zinc/65/00/63/822650063.db2.gz AUXVGMVZPXGGPR-UHFFFAOYSA-N 1 1 382.508 4.115 20 0 GIADMO CC(=O)c1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)ccc1F ZINC000455418686 822650268 /nfs/dbraw/zinc/65/02/68/822650268.db2.gz JBYOSFHCIPBOCA-MRXNPFEDSA-N 1 1 383.467 4.014 20 0 GIADMO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1nc(-c2ccccc2)cs1 ZINC000184525792 822651079 /nfs/dbraw/zinc/65/10/79/822651079.db2.gz PLOQNWPGXSSIKT-GFCCVEGCSA-N 1 1 391.949 4.492 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(-c4cnco4)c3)cc2)C[C@H](C)O1 ZINC000048282340 822651535 /nfs/dbraw/zinc/65/15/35/822651535.db2.gz OJFPTBYISDGGJC-IRXDYDNUSA-N 1 1 391.471 4.203 20 0 GIADMO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184531547 822652091 /nfs/dbraw/zinc/65/20/91/822652091.db2.gz AGPMWACEHKKDEH-HNNXBMFYSA-N 1 1 381.501 4.498 20 0 GIADMO Cc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(F)cc1Br ZINC000455429158 822652079 /nfs/dbraw/zinc/65/20/79/822652079.db2.gz RBWDNEUFNGYUFA-GFCCVEGCSA-N 1 1 398.320 4.235 20 0 GIADMO C[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@@H]1n1ccnc1 ZINC000180271692 822652171 /nfs/dbraw/zinc/65/21/71/822652171.db2.gz ZXOQUSOEKZLZRV-KDOFPFPSSA-N 1 1 385.309 4.277 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCSCc1ccccn1 ZINC000048323455 822653631 /nfs/dbraw/zinc/65/36/31/822653631.db2.gz FBIIRCDILPKMRA-IBGZPJMESA-N 1 1 397.588 4.396 20 0 GIADMO CC(C)[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455443620 822655098 /nfs/dbraw/zinc/65/50/98/822655098.db2.gz IKZNCJKCKNOQCM-HQSKLWIPSA-N 1 1 383.458 4.327 20 0 GIADMO CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000180287104 822655877 /nfs/dbraw/zinc/65/58/77/822655877.db2.gz IOGZRTYZWADIDM-HZPDHXFCSA-N 1 1 378.476 4.327 20 0 GIADMO C[C@@H](Oc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)C(F)(F)F ZINC000455451724 822656978 /nfs/dbraw/zinc/65/69/78/822656978.db2.gz UGJDVSZTVKLTBV-HUUCEWRRSA-N 1 1 399.457 4.354 20 0 GIADMO COc1cc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1C ZINC000180299507 822659217 /nfs/dbraw/zinc/65/92/17/822659217.db2.gz MUFCESAMWQOOFT-QHCPKHFHSA-N 1 1 395.524 4.286 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000048402175 822659857 /nfs/dbraw/zinc/65/98/57/822659857.db2.gz IBQYJGFVAQKFST-UHFFFAOYSA-N 1 1 385.321 4.172 20 0 GIADMO Cc1cccc(C(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccc(C)c2)c1 ZINC000455468567 822660294 /nfs/dbraw/zinc/66/02/94/822660294.db2.gz FFIIAIWRSPUAFH-FRIKZZABSA-N 1 1 377.532 4.317 20 0 GIADMO CC(C)[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000455471586 822661085 /nfs/dbraw/zinc/66/10/85/822661085.db2.gz JAOVOADCNIZZNJ-FBVQUNGASA-N 1 1 383.458 4.327 20 0 GIADMO 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Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3c4ccccc4CCC[C@H]3C)CC2)cs1 ZINC000185027244 822726883 /nfs/dbraw/zinc/72/68/83/822726883.db2.gz BBCVDOVVGNAWTB-OPAMFIHVSA-N 1 1 397.588 4.493 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2c(C)cccc2SC)CC1 ZINC000185032740 822727450 /nfs/dbraw/zinc/72/74/50/822727450.db2.gz IDBQIORATANTHR-UHFFFAOYSA-N 1 1 393.597 4.319 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)nc1C1CC1 ZINC000455792993 822727561 /nfs/dbraw/zinc/72/75/61/822727561.db2.gz DJSGXADFABLFLG-HXUWFJFHSA-N 1 1 377.532 4.252 20 0 GIADMO Cn1cc(-c2cc(C[NH2+][C@H](COc3ccccc3F)c3ccccc3)on2)cn1 ZINC000185051579 822729616 /nfs/dbraw/zinc/72/96/16/822729616.db2.gz IEQKJIASGIIPBV-OAQYLSRUSA-N 1 1 392.434 4.124 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C(C)(F)F)[C@@H](C)C1 ZINC000455809440 822730387 /nfs/dbraw/zinc/73/03/87/822730387.db2.gz OHAQVDJKAGFNRQ-RDJZCZTQSA-N 1 1 383.483 4.057 20 0 GIADMO Cc1ccccc1-c1ccc(Cl)c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000455817042 822731489 /nfs/dbraw/zinc/73/14/89/822731489.db2.gz XKKYXSALRYOBHV-GOSISDBHSA-N 1 1 398.934 4.110 20 0 GIADMO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)ccc21 ZINC000455880818 822741711 /nfs/dbraw/zinc/74/17/11/822741711.db2.gz SGNMPPKEBPRIMF-LEWJYISDSA-N 1 1 396.535 4.177 20 0 GIADMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000050928077 822742627 /nfs/dbraw/zinc/74/26/27/822742627.db2.gz WFLMOJJPCIMLFT-GHTZIAJQSA-N 1 1 380.448 4.002 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)c(OC)c1 ZINC000185150588 822743141 /nfs/dbraw/zinc/74/31/41/822743141.db2.gz FPCGPZCGXDGWBA-FQEVSTJZSA-N 1 1 388.552 4.125 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(OCc3cccnc3)cc1)C2 ZINC000050960951 822743401 /nfs/dbraw/zinc/74/34/01/822743401.db2.gz CPYCUMILQYBXNO-UHFFFAOYSA-N 1 1 387.483 4.177 20 0 GIADMO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C(C1CC1)C1CC1 ZINC000050989605 822743794 /nfs/dbraw/zinc/74/37/94/822743794.db2.gz XRXQGXJDFDRVNO-QGZVFWFLSA-N 1 1 383.517 4.139 20 0 GIADMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000050995103 822744007 /nfs/dbraw/zinc/74/40/07/822744007.db2.gz MJKMBXCIQRSMAV-GHTZIAJQSA-N 1 1 393.531 4.238 20 0 GIADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000051049329 822744864 /nfs/dbraw/zinc/74/48/64/822744864.db2.gz WDPLAAMNQDUUII-FPOVZHCZSA-N 1 1 395.547 4.177 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000185179854 822746178 /nfs/dbraw/zinc/74/61/78/822746178.db2.gz YQRWFDLMVCTTJC-DOMZBBRYSA-N 1 1 397.828 4.004 20 0 GIADMO C[N@@H+](CCC(=O)N1CCc2ccccc21)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132598 822747235 /nfs/dbraw/zinc/74/72/35/822747235.db2.gz SZMFHYUTGMRYCI-ZJSXRUAMSA-N 1 1 378.516 4.066 20 0 GIADMO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132747 822747239 /nfs/dbraw/zinc/74/72/39/822747239.db2.gz GIWOXVJTZLMWRM-JWNTYJGQSA-N 1 1 394.515 4.316 20 0 GIADMO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132747 822747241 /nfs/dbraw/zinc/74/72/41/822747241.db2.gz GIWOXVJTZLMWRM-JWNTYJGQSA-N 1 1 394.515 4.316 20 0 GIADMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000051133134 822747432 /nfs/dbraw/zinc/74/74/32/822747432.db2.gz NBYBLHDJDIZQGM-ACIOBRDBSA-N 1 1 378.516 4.106 20 0 GIADMO CSc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000051133758 822747797 /nfs/dbraw/zinc/74/77/97/822747797.db2.gz QXYIBMBQCWONJA-XMSQKQJNSA-N 1 1 384.545 4.447 20 0 GIADMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000051187677 822749761 /nfs/dbraw/zinc/74/97/61/822749761.db2.gz PNUVSALXKCMXAK-XMMPIXPASA-N 1 1 396.494 4.164 20 0 GIADMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051286403 822754504 /nfs/dbraw/zinc/75/45/04/822754504.db2.gz PYDWWUKDLXEXEG-KRWDZBQOSA-N 1 1 383.410 4.278 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](C)Sc3ccccc3Cl)sc2C1 ZINC000051475151 822761520 /nfs/dbraw/zinc/76/15/20/822761520.db2.gz OMSDSGAUPMISFC-LLVKDONJSA-N 1 1 381.954 4.294 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](C)Sc3ccccc3Cl)sc2C1 ZINC000051475151 822761522 /nfs/dbraw/zinc/76/15/22/822761522.db2.gz OMSDSGAUPMISFC-LLVKDONJSA-N 1 1 381.954 4.294 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4c(F)cccc4F)C3)cs2)cc1 ZINC000185306548 822762856 /nfs/dbraw/zinc/76/28/56/822762856.db2.gz WKPLGRJPXKYLKJ-OAHLLOKOSA-N 1 1 399.466 4.177 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H](c4c(F)cccc4F)C3)cs2)cc1 ZINC000185306548 822762857 /nfs/dbraw/zinc/76/28/57/822762857.db2.gz WKPLGRJPXKYLKJ-OAHLLOKOSA-N 1 1 399.466 4.177 20 0 GIADMO C[C@H](c1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)C(F)(F)F ZINC000455993298 822763107 /nfs/dbraw/zinc/76/31/07/822763107.db2.gz KZVUODUNWHMHAG-BJZITVGISA-N 1 1 380.454 4.441 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C2CC2)s1 ZINC000185319338 822765360 /nfs/dbraw/zinc/76/53/60/822765360.db2.gz SJHSXQQTGBBOBS-YVEFUNNKSA-N 1 1 395.931 4.332 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)s1 ZINC000185323039 822765772 /nfs/dbraw/zinc/76/57/72/822765772.db2.gz LTWQKXUMYWKDPB-OAHLLOKOSA-N 1 1 385.411 4.030 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)s1 ZINC000185327713 822766738 /nfs/dbraw/zinc/76/67/38/822766738.db2.gz SIQCAMFYNIEXLZ-ABAIWWIYSA-N 1 1 399.438 4.418 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000174302339 822767435 /nfs/dbraw/zinc/76/74/35/822767435.db2.gz OBRLIFQOIOBTQM-YWZLYKJASA-N 1 1 387.474 4.178 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C2CC2)s1 ZINC000185340029 822768409 /nfs/dbraw/zinc/76/84/09/822768409.db2.gz JFWCHQYAXNXUGY-NHYWBVRUSA-N 1 1 381.448 4.121 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Br)C2CC2)s1 ZINC000185354541 822770188 /nfs/dbraw/zinc/77/01/88/822770188.db2.gz WXQNWGMGLTVQIQ-XHDPSFHLSA-N 1 1 394.338 4.282 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185366369 822772835 /nfs/dbraw/zinc/77/28/35/822772835.db2.gz PZEVNGARHXTUPV-INIZCTEOSA-N 1 1 386.565 4.224 20 0 GIADMO C[C@@H](CCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361912 822777949 /nfs/dbraw/zinc/77/79/49/822777949.db2.gz VMWWHGMAZSRWCP-HOTGVXAUSA-N 1 1 385.474 4.182 20 0 GIADMO C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361748 822777953 /nfs/dbraw/zinc/77/79/53/822777953.db2.gz UNJWVIUCPDYZBN-RVKKMQEKSA-N 1 1 385.474 4.323 20 0 GIADMO C[C@H](CCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361899 822777960 /nfs/dbraw/zinc/77/79/60/822777960.db2.gz VMWWHGMAZSRWCP-HZPDHXFCSA-N 1 1 385.474 4.182 20 0 GIADMO C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(Cl)c2ccccc21 ZINC000185397566 822778718 /nfs/dbraw/zinc/77/87/18/822778718.db2.gz QIGGTUJXBYFLQU-LBPRGKRZSA-N 1 1 394.949 4.345 20 0 GIADMO C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000456119894 822780152 /nfs/dbraw/zinc/78/01/52/822780152.db2.gz KUNSHHABJBXWEN-FDYHWXHSSA-N 1 1 388.396 4.085 20 0 GIADMO Cn1cccc1[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000174395547 822783766 /nfs/dbraw/zinc/78/37/66/822783766.db2.gz IGTCFVYCBGZZOV-UGKGYDQZSA-N 1 1 383.511 4.130 20 0 GIADMO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000185438647 822783965 /nfs/dbraw/zinc/78/39/65/822783965.db2.gz XRGJIGYEWCTZHG-UWJYYQICSA-N 1 1 383.536 4.109 20 0 GIADMO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cc(-c4cnn(C)c4C)no3)oc21 ZINC000185439503 822784201 /nfs/dbraw/zinc/78/42/01/822784201.db2.gz ZHFFWQRFHLUFCN-ZDUSSCGKSA-N 1 1 380.448 4.379 20 0 GIADMO Brc1ccc2ncc(C[NH2+]C3(c4nccs4)CCCC3)n2c1 ZINC000174402919 822785179 /nfs/dbraw/zinc/78/51/79/822785179.db2.gz FBCCEMDTIBEALI-UHFFFAOYSA-N 1 1 377.311 4.112 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CC[C@@H](C)[C@H]3c3cccc(F)c3)CC2)[nH+]c1 ZINC000174419453 822787586 /nfs/dbraw/zinc/78/75/86/822787586.db2.gz CGVADUDMJWOZHC-VGSWGCGISA-N 1 1 381.495 4.355 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(O)(c4ccccc4)CC3)o2)cc1C ZINC000185471068 822787979 /nfs/dbraw/zinc/78/79/79/822787979.db2.gz VNCQQUDXTJCIFE-GOSISDBHSA-N 1 1 377.488 4.398 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000052026819 822788314 /nfs/dbraw/zinc/78/83/14/822788314.db2.gz NWYYGZOBBUFMQR-KDURUIRLSA-N 1 1 381.520 4.362 20 0 GIADMO CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(OC)cc1 ZINC000052039124 822788841 /nfs/dbraw/zinc/78/88/41/822788841.db2.gz ZIVTUUJRGZFFTM-UHFFFAOYSA-N 1 1 392.253 4.123 20 0 GIADMO CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(OC)cc1 ZINC000052039124 822788843 /nfs/dbraw/zinc/78/88/43/822788843.db2.gz ZIVTUUJRGZFFTM-UHFFFAOYSA-N 1 1 392.253 4.123 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3Cc3cccc(F)c3)n2)c(OC)c1 ZINC000052035191 822788874 /nfs/dbraw/zinc/78/88/74/822788874.db2.gz NYVHCKQIBMGNDQ-QGZVFWFLSA-N 1 1 397.450 4.100 20 0 GIADMO Cc1cc(C)c(NC(=O)CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c(Cl)c1 ZINC000185483255 822789382 /nfs/dbraw/zinc/78/93/82/822789382.db2.gz UHWKSYSGPXZEQE-MRXNPFEDSA-N 1 1 391.968 4.336 20 0 GIADMO C[C@H]1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC[N@H+]1Cc1ccccc1 ZINC000174433762 822789514 /nfs/dbraw/zinc/78/95/14/822789514.db2.gz BVNPQJWMCWJSRP-KRWDZBQOSA-N 1 1 396.922 4.486 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000185498665 822791068 /nfs/dbraw/zinc/79/10/68/822791068.db2.gz NNYFZHYAELOTNV-CQSZACIVSA-N 1 1 388.924 4.330 20 0 GIADMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)Nc2cccc(NC(C)=O)c2)o1 ZINC000174449121 822791201 /nfs/dbraw/zinc/79/12/01/822791201.db2.gz AFFZULHKELMJRD-YWZLYKJASA-N 1 1 383.492 4.212 20 0 GIADMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)Nc2cccc(NC(C)=O)c2)o1 ZINC000174449121 822791203 /nfs/dbraw/zinc/79/12/03/822791203.db2.gz AFFZULHKELMJRD-YWZLYKJASA-N 1 1 383.492 4.212 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000052153444 822791508 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HNKYFMDSAOBMJA-QGZVFWFLSA-N 1 1 387.549 4.072 20 0 GIADMO COc1ccccc1-c1nnc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)o1 ZINC000174908174 822854046 /nfs/dbraw/zinc/85/40/46/822854046.db2.gz JQMNMJKYJOTVSA-HXUWFJFHSA-N 1 1 393.487 4.007 20 0 GIADMO CC1(CC(F)(F)F)CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457111380 822854204 /nfs/dbraw/zinc/85/42/04/822854204.db2.gz FURQPFOWNPASAT-HNNXBMFYSA-N 1 1 383.458 4.294 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000457116730 822854933 /nfs/dbraw/zinc/85/49/33/822854933.db2.gz LOCHZYGJPBPTHL-CQSZACIVSA-N 1 1 399.482 4.189 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(N(C)C)c(C)c1 ZINC000174918085 822855877 /nfs/dbraw/zinc/85/58/77/822855877.db2.gz SYUKVWJOXALWRF-OAQYLSRUSA-N 1 1 394.563 4.437 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(Cl)s1 ZINC000174934014 822857846 /nfs/dbraw/zinc/85/78/46/822857846.db2.gz DGQLBMOEHFVEDC-QGZVFWFLSA-N 1 1 376.953 4.315 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1 ZINC000054010990 822858492 /nfs/dbraw/zinc/85/84/92/822858492.db2.gz GMXYOWCNHKWGFH-DFNIBXOVSA-N 1 1 379.504 4.389 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c1 ZINC000054011674 822858615 /nfs/dbraw/zinc/85/86/15/822858615.db2.gz SBLXMAHVYDGSKP-IBGZPJMESA-N 1 1 396.535 4.030 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000186191514 822859610 /nfs/dbraw/zinc/85/96/10/822859610.db2.gz IYUPEEUUSSXBBI-QFIPXVFZSA-N 1 1 392.543 4.029 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000174949797 822859995 /nfs/dbraw/zinc/85/99/95/822859995.db2.gz AAXXIYYFMHSINR-GOSISDBHSA-N 1 1 395.934 4.344 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000174951984 822860270 /nfs/dbraw/zinc/86/02/70/822860270.db2.gz HZCKOSUQMOUIRP-NRFANRHFSA-N 1 1 389.543 4.471 20 0 GIADMO Cc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1NC(=O)Nc1ccccc1 ZINC000457197725 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CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000054509485 822891622 /nfs/dbraw/zinc/89/16/22/822891622.db2.gz YNCIHQLPBDKXQL-INIZCTEOSA-N 1 1 383.458 4.111 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](c2ccccc2)c2ccc(OCC)cc2)C1 ZINC000054511662 822891894 /nfs/dbraw/zinc/89/18/94/822891894.db2.gz YGRKJPFECSURHI-CVDCTZTESA-N 1 1 395.547 4.206 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000457565719 822892179 /nfs/dbraw/zinc/89/21/79/822892179.db2.gz HYXFGZMGONGROZ-DZGCQCFKSA-N 1 1 378.385 4.077 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)Cc3cccc(C(C)C)c3)CC2)cs1 ZINC000457568278 822892443 /nfs/dbraw/zinc/89/24/43/822892443.db2.gz VUCURRMAYWRIJW-UHFFFAOYSA-N 1 1 399.604 4.400 20 0 GIADMO Cc1cc(Br)cc(C)c1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000175155516 822893749 /nfs/dbraw/zinc/89/37/49/822893749.db2.gz DWZBFYUWXCDDDU-INIZCTEOSA-N 1 1 382.346 4.404 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000175160323 822894867 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FJIQGISFXQDQLS-KMDXXIMOSA-N 1 1 385.511 4.401 20 0 GIADMO C[N@H+]1CC[C@H](N[C@H](C(=O)Nc2ccccc2)c2ccccc2)[C@H]1c1ccccc1 ZINC000569533222 822935680 /nfs/dbraw/zinc/93/56/80/822935680.db2.gz FJIQGISFXQDQLS-KMDXXIMOSA-N 1 1 385.511 4.401 20 0 GIADMO COc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000175327123 822936109 /nfs/dbraw/zinc/93/61/09/822936109.db2.gz XHNRKVMXEVNARR-UWVAXJGDSA-N 1 1 399.510 4.248 20 0 GIADMO O=C(C[NH+]1CCC(COc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000055081152 822936738 /nfs/dbraw/zinc/93/67/38/822936738.db2.gz YOBCEEAIKOAHRC-UHFFFAOYSA-N 1 1 392.421 4.435 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@@H]1c1cccs1 ZINC000569541919 822937147 /nfs/dbraw/zinc/93/71/47/822937147.db2.gz GWPBGGJEJNYMNV-BPLDGKMQSA-N 1 1 391.503 4.407 20 0 GIADMO O[C@H](COc1cccc2[nH]ccc21)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000569545596 822938114 /nfs/dbraw/zinc/93/81/14/822938114.db2.gz NJZGZMJVUYTPPH-KKSFZXQISA-N 1 1 390.487 4.011 20 0 GIADMO O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000569545596 822938120 /nfs/dbraw/zinc/93/81/20/822938120.db2.gz NJZGZMJVUYTPPH-KKSFZXQISA-N 1 1 390.487 4.011 20 0 GIADMO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102734 822938238 /nfs/dbraw/zinc/93/82/38/822938238.db2.gz ZCGFYLJKROJNSQ-CYBMUJFWSA-N 1 1 376.859 4.391 20 0 GIADMO CC(=O)N1CCc2cc(C(=O)[C@@H](C)[NH2+][C@@H](C)c3ccccc3OC(C)C)ccc21 ZINC000055152021 822941168 /nfs/dbraw/zinc/94/11/68/822941168.db2.gz OCVBVFBUOURXQL-DLBZAZTESA-N 1 1 394.515 4.305 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000055152463 822941172 /nfs/dbraw/zinc/94/11/72/822941172.db2.gz SUDZWASMFKCNSU-OLZOCXBDSA-N 1 1 394.874 4.483 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000457941086 822941286 /nfs/dbraw/zinc/94/12/86/822941286.db2.gz REHPQWMZSQRVNV-HTAPYJJXSA-N 1 1 398.576 4.307 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000569588100 822942619 /nfs/dbraw/zinc/94/26/19/822942619.db2.gz BOAYQRCPTCZINR-QBPKDAKJSA-N 1 1 387.499 4.013 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000569588100 822942624 /nfs/dbraw/zinc/94/26/24/822942624.db2.gz BOAYQRCPTCZINR-QBPKDAKJSA-N 1 1 387.499 4.013 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000175378584 822951715 /nfs/dbraw/zinc/95/17/15/822951715.db2.gz NJDOXKMFPNYCDV-HWRSSNJWSA-N 1 1 378.925 4.099 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@H]2c2cccn2C)cc1F ZINC000175382860 822953370 /nfs/dbraw/zinc/95/33/70/822953370.db2.gz SGSXSVQLFKQINM-NRFANRHFSA-N 1 1 395.482 4.095 20 0 GIADMO Fc1cccc(Cl)c1COc1ccc(C[NH2+]Cc2nnc3ccccn32)cc1 ZINC000055372282 822955355 /nfs/dbraw/zinc/95/53/55/822955355.db2.gz ZGWMHYJANQVOGD-UHFFFAOYSA-N 1 1 396.853 4.391 20 0 GIADMO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(-c4ccc5ccccc5c4)[nH]n3)C2)CC1 ZINC000569687438 822955499 /nfs/dbraw/zinc/95/54/99/822955499.db2.gz UESGYGJPOAHYTB-NRFANRHFSA-N 1 1 388.515 4.034 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000569703307 822956824 /nfs/dbraw/zinc/95/68/24/822956824.db2.gz SEBVKZGFAXWSHL-UGKGYDQZSA-N 1 1 399.510 4.266 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000055403349 822957801 /nfs/dbraw/zinc/95/78/01/822957801.db2.gz LLUPBKKBFCXFHE-HUUCEWRRSA-N 1 1 391.968 4.243 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055400992 822957870 /nfs/dbraw/zinc/95/78/70/822957870.db2.gz OGVLKLKRTKCSKK-QWHCGFSZSA-N 1 1 393.890 4.293 20 0 GIADMO Cc1nc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)sc1C ZINC000175394556 822957925 /nfs/dbraw/zinc/95/79/25/822957925.db2.gz HCQVUETZOPPOPU-HNNXBMFYSA-N 1 1 386.565 4.134 20 0 GIADMO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)OC)cc2Br)c1 ZINC000569714771 822958291 /nfs/dbraw/zinc/95/82/91/822958291.db2.gz IFIHWHJLAXPIOT-ZDUSSCGKSA-N 1 1 392.293 4.485 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)NC(c1ccccc1)c1ccccc1 ZINC000569719387 822958561 /nfs/dbraw/zinc/95/85/61/822958561.db2.gz FGPOGPDEGJGKSH-PKTZIBPZSA-N 1 1 392.543 4.173 20 0 GIADMO C[C@@H]1[C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000569729964 822959630 /nfs/dbraw/zinc/95/96/30/822959630.db2.gz ZIHUSTMRCZKAGH-OXQOHEQNSA-N 1 1 384.907 4.082 20 0 GIADMO O=C(N1Cc2cccc(F)c2C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000458115984 822959749 /nfs/dbraw/zinc/95/97/49/822959749.db2.gz WNUMQGCGYZQJPO-FQEVSTJZSA-N 1 1 392.396 4.123 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186816624 822960232 /nfs/dbraw/zinc/96/02/32/822960232.db2.gz ADZGNRYUNHZUEL-GOSISDBHSA-N 1 1 396.556 4.279 20 0 GIADMO O=C(CCc1cccc(Cl)c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055427444 822961584 /nfs/dbraw/zinc/96/15/84/822961584.db2.gz UKTAQHTWYKIULZ-UHFFFAOYSA-N 1 1 393.918 4.165 20 0 GIADMO Clc1ccc(Cc2nc(C[N@@H+]3CCSC4(CCOCC4)C3)cs2)cc1 ZINC000186826805 822962487 /nfs/dbraw/zinc/96/24/87/822962487.db2.gz WRZIRGJRYJONLR-UHFFFAOYSA-N 1 1 394.993 4.485 20 0 GIADMO Clc1ccc(Cc2nc(C[N@H+]3CCSC4(CCOCC4)C3)cs2)cc1 ZINC000186826805 822962488 /nfs/dbraw/zinc/96/24/88/822962488.db2.gz WRZIRGJRYJONLR-UHFFFAOYSA-N 1 1 394.993 4.485 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186830009 822963114 /nfs/dbraw/zinc/96/31/14/822963114.db2.gz GDCNAOCBGMXNAQ-UHFFFAOYSA-N 1 1 390.593 4.470 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186830009 822963118 /nfs/dbraw/zinc/96/31/18/822963118.db2.gz GDCNAOCBGMXNAQ-UHFFFAOYSA-N 1 1 390.593 4.470 20 0 GIADMO CCOc1c(OC)cc(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1OC ZINC000569750527 822963395 /nfs/dbraw/zinc/96/33/95/822963395.db2.gz DHOMQUHLYDRZRG-LJQANCHMSA-N 1 1 382.504 4.087 20 0 GIADMO CC(C)c1c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000458161601 822963884 /nfs/dbraw/zinc/96/38/84/822963884.db2.gz HPBZBJASNYSQJI-INIZCTEOSA-N 1 1 388.943 4.111 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000458164638 822964108 /nfs/dbraw/zinc/96/41/08/822964108.db2.gz KLQMRUWYHAOJRS-ZDUSSCGKSA-N 1 1 399.482 4.096 20 0 GIADMO Fc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4cnc(Cl)s4)C3)n2)cc1 ZINC000175422772 822965047 /nfs/dbraw/zinc/96/50/47/822965047.db2.gz ATJBGDRTBFKTCD-LBPRGKRZSA-N 1 1 378.860 4.365 20 0 GIADMO Fc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cnc(Cl)s4)C3)n2)cc1 ZINC000175422772 822965049 /nfs/dbraw/zinc/96/50/49/822965049.db2.gz ATJBGDRTBFKTCD-LBPRGKRZSA-N 1 1 378.860 4.365 20 0 GIADMO CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000055458905 822965963 /nfs/dbraw/zinc/96/59/63/822965963.db2.gz CCJXYHFZTKQYHN-PAJXCOJRSA-N 1 1 391.515 4.177 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)c2sc3ccccc3c2Br)C1 ZINC000458221347 822970439 /nfs/dbraw/zinc/97/04/39/822970439.db2.gz ZNEIXIOWOHXVDN-GFCCVEGCSA-N 1 1 381.339 4.126 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)c2sc3ccccc3c2Br)C1 ZINC000458221348 822970458 /nfs/dbraw/zinc/97/04/58/822970458.db2.gz ZNEIXIOWOHXVDN-LBPRGKRZSA-N 1 1 381.339 4.126 20 0 GIADMO C[NH+](C)CCC1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000175448796 822971344 /nfs/dbraw/zinc/97/13/44/822971344.db2.gz ALKUPNFFYJRFFY-QFIPXVFZSA-N 1 1 390.531 4.490 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2c(F)ccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000186869167 822971436 /nfs/dbraw/zinc/97/14/36/822971436.db2.gz NZQLODQNDJXTMC-GDBMZVCRSA-N 1 1 376.422 4.229 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000175452089 822972334 /nfs/dbraw/zinc/97/23/34/822972334.db2.gz BLXSZLUHBHKZFU-QHCPKHFHSA-N 1 1 378.560 4.278 20 0 GIADMO C[C@@H](OC[C@H](O)C[NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1 ZINC000569837723 822974651 /nfs/dbraw/zinc/97/46/51/822974651.db2.gz UPMIBUSXBJYLOA-ZWNOBZJWSA-N 1 1 394.846 4.044 20 0 GIADMO CC(C)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccnc1 ZINC000175467771 822976152 /nfs/dbraw/zinc/97/61/52/822976152.db2.gz LCFUJZXMXYHTJE-NZQKXSOJSA-N 1 1 394.563 4.127 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1csc(Br)c1)Cc1ccncc1 ZINC000569855616 822976614 /nfs/dbraw/zinc/97/66/14/822976614.db2.gz ATJIQHCNCMJLPG-QGZVFWFLSA-N 1 1 394.382 4.392 20 0 GIADMO C[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000569857377 822976817 /nfs/dbraw/zinc/97/68/17/822976817.db2.gz ZLHWSVYKFVDNHY-AZOIQLNYSA-N 1 1 395.425 4.360 20 0 GIADMO C[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000569857377 822976820 /nfs/dbraw/zinc/97/68/20/822976820.db2.gz ZLHWSVYKFVDNHY-AZOIQLNYSA-N 1 1 395.425 4.360 20 0 GIADMO COCCSc1ccc([C@@H](C)NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569863315 822977706 /nfs/dbraw/zinc/97/77/06/822977706.db2.gz GDWNCJHSPABGCU-NQIIRXRSSA-N 1 1 398.572 4.124 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(-c2ccccc2)n1 ZINC000569888706 822980956 /nfs/dbraw/zinc/98/09/56/822980956.db2.gz KLNQVWMRPGYSIU-HXUWFJFHSA-N 1 1 398.514 4.252 20 0 GIADMO O=C(Nc1cccc(Cl)c1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569891825 822981614 /nfs/dbraw/zinc/98/16/14/822981614.db2.gz QUUXPTPAXVPVIB-DLBZAZTESA-N 1 1 387.886 4.465 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ncc(Br)cc1F ZINC000186931008 822982383 /nfs/dbraw/zinc/98/23/83/822982383.db2.gz FOIDNDQOVJJOLC-SECBINFHSA-N 1 1 375.188 4.435 20 0 GIADMO O=C(NC12CCC(C(F)(F)F)(CC1)CC2)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000569905804 822984150 /nfs/dbraw/zinc/98/41/50/822984150.db2.gz VTMUWAOOSVVKOH-KKXNLOMOSA-N 1 1 395.469 4.065 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCc3c2cc(F)cc3F)[C@@H]1c1cccs1 ZINC000175505960 822985577 /nfs/dbraw/zinc/98/55/77/822985577.db2.gz WFBLYVZZVBEIBG-ORAYPTAESA-N 1 1 391.487 4.182 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(F)(c2ccccn2)CC1)c1cc2ccccc2o1 ZINC000569917848 822985816 /nfs/dbraw/zinc/98/58/16/822985816.db2.gz SXUPZFGUTQHNIS-IRXDYDNUSA-N 1 1 395.478 4.354 20 0 GIADMO CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1C)c1ccccc1OC(F)F ZINC000175508126 822986363 /nfs/dbraw/zinc/98/63/63/822986363.db2.gz SDKGWMIGNFHLJK-MRXNPFEDSA-N 1 1 380.439 4.024 20 0 GIADMO CCCO[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000175508948 822986497 /nfs/dbraw/zinc/98/64/97/822986497.db2.gz ZUXYDSUJOKSNCO-GGPKGHCWSA-N 1 1 393.597 4.122 20 0 GIADMO COC(=O)c1csc([C@H](C)[NH2+]Cc2ccncc2OCc2ccccc2)c1 ZINC000569949143 822988737 /nfs/dbraw/zinc/98/87/37/822988737.db2.gz WYVMHZCFHDUWFO-HNNXBMFYSA-N 1 1 382.485 4.360 20 0 GIADMO O=C(CCCc1nc2ccccc2s1)N1CC[NH+](CCc2cccs2)CC1 ZINC000055642776 822991288 /nfs/dbraw/zinc/99/12/88/822991288.db2.gz MXHJQEAHZLHRII-UHFFFAOYSA-N 1 1 399.585 4.067 20 0 GIADMO CCOC(=O)[C@@]1(CCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1=O ZINC000569971045 822991525 /nfs/dbraw/zinc/99/15/25/822991525.db2.gz CHYKBMCYPBJIRF-SIKLNZKXSA-N 1 1 389.561 4.077 20 0 GIADMO COc1cc(C[N@H+]2CC[C@H](COC(F)F)C2)ccc1OCc1ccc(F)cc1 ZINC000569982884 822993277 /nfs/dbraw/zinc/99/32/77/822993277.db2.gz IOWJZXYYNKPTTI-KRWDZBQOSA-N 1 1 395.421 4.474 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000569982689 822993382 /nfs/dbraw/zinc/99/33/82/822993382.db2.gz QTOBUWHQGKJLFR-YJSIEXFISA-N 1 1 393.531 4.041 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000570011777 822996737 /nfs/dbraw/zinc/99/67/37/822996737.db2.gz NVFNAMVIPWQSHL-OAHLLOKOSA-N 1 1 390.915 4.164 20 0 GIADMO O=c1nc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)[nH]c2scc(-c3ccccc3)c21 ZINC000570017009 822997495 /nfs/dbraw/zinc/99/74/95/822997495.db2.gz MSMBJWIXRPJEGH-JQHSSLGASA-N 1 1 395.528 4.189 20 0 GIADMO O=c1nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)[nH]c2scc(-c3ccccc3)c21 ZINC000570017009 822997497 /nfs/dbraw/zinc/99/74/97/822997497.db2.gz MSMBJWIXRPJEGH-JQHSSLGASA-N 1 1 395.528 4.189 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCC(C)CC3)cc2)c(OC)c1 ZINC000055684773 822998679 /nfs/dbraw/zinc/99/86/79/822998679.db2.gz LWVYJLBYJYICFK-KRWDZBQOSA-N 1 1 397.519 4.379 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)c2)oc1C ZINC000175569930 822999610 /nfs/dbraw/zinc/99/96/10/822999610.db2.gz ZLCYHCNCCNQQLL-FQEVSTJZSA-N 1 1 382.508 4.344 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NCc2coc(-c3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000187024871 822999814 /nfs/dbraw/zinc/99/98/14/822999814.db2.gz ZYPSIGJFIHBOGC-OXQOHEQNSA-N 1 1 391.943 4.222 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)C(F)(F)F)[C@@H]1c1ccccc1 ZINC000187033117 823001206 /nfs/dbraw/zinc/00/12/06/823001206.db2.gz VYDNJUMVKDHPBD-FHWLQOOXSA-N 1 1 391.437 4.077 20 0 GIADMO CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000175583060 823001973 /nfs/dbraw/zinc/00/19/73/823001973.db2.gz UKBHKSUYSVPBHD-UZLBHIALSA-N 1 1 386.467 4.015 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ncc(Br)cc1F ZINC000187038967 823002142 /nfs/dbraw/zinc/00/21/42/823002142.db2.gz FUXDLUIAMBKVLW-CYBMUJFWSA-N 1 1 389.272 4.079 20 0 GIADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000187049006 823003744 /nfs/dbraw/zinc/00/37/44/823003744.db2.gz VAGZCXSWILAXTG-SBUREZEXSA-N 1 1 375.516 4.124 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ncc(Br)cc1F ZINC000187055152 823004570 /nfs/dbraw/zinc/00/45/70/823004570.db2.gz XJNIOIZAPXADQX-GFCCVEGCSA-N 1 1 375.245 4.020 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)c2ccccc2CSc2nc3ccccc3[nH]2)CC[N@H+]1C ZINC000570094466 823005403 /nfs/dbraw/zinc/00/54/03/823005403.db2.gz AFQRQPWZJQKIGH-RDJZCZTQSA-N 1 1 394.544 4.068 20 0 GIADMO COc1ccc(-n2c(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)nc3ccccc32)cc1 ZINC000570112537 823006698 /nfs/dbraw/zinc/00/66/98/823006698.db2.gz PUEXKLVQCMPERU-VXKWHMMOSA-N 1 1 377.488 4.178 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000175617905 823007444 /nfs/dbraw/zinc/00/74/44/823007444.db2.gz GHTXTRMFRBUPOY-OALUTQOASA-N 1 1 396.535 4.138 20 0 GIADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000570145574 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BBDHNQVWROHJBZ-FPOVZHCZSA-N 1 1 399.579 4.173 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1NC(=O)C(C)(C)C ZINC000570172936 823012335 /nfs/dbraw/zinc/01/23/35/823012335.db2.gz BCXJTUZWBYUENX-LJQANCHMSA-N 1 1 393.531 4.440 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)CCc2ncc(C(C)(C)C)o2)CC[N@H+]1Cc1ccccc1 ZINC000187113776 823012476 /nfs/dbraw/zinc/01/24/76/823012476.db2.gz URLUNFYLVALVFL-AZUAARDMSA-N 1 1 397.563 4.416 20 0 GIADMO CCOC(=O)[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000570190944 823013616 /nfs/dbraw/zinc/01/36/16/823013616.db2.gz XVWZPDQHIQYBJJ-WMZHIEFXSA-N 1 1 380.532 4.313 20 0 GIADMO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccc2c(c1)CCC(=O)N2C ZINC000187125735 823014570 /nfs/dbraw/zinc/01/45/70/823014570.db2.gz NGINAWIRUCBPCC-IBGZPJMESA-N 1 1 391.559 4.260 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc2c(c1)CCC(=O)N2C ZINC000187125735 823014573 /nfs/dbraw/zinc/01/45/73/823014573.db2.gz NGINAWIRUCBPCC-IBGZPJMESA-N 1 1 391.559 4.260 20 0 GIADMO Cc1ccc([C@H](CN[C@@H](C)c2ncc(Br)cc2F)[NH+]2CCCC2)o1 ZINC000187132953 823015511 /nfs/dbraw/zinc/01/55/11/823015511.db2.gz IDHXALRXTWKHAG-BBRMVZONSA-N 1 1 396.304 4.372 20 0 GIADMO Cn1ncc(Cl)c1C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000187147474 823017499 /nfs/dbraw/zinc/01/74/99/823017499.db2.gz GCISXYCUGVTICL-ZDUSSCGKSA-N 1 1 392.290 4.157 20 0 GIADMO Cn1ncc(Cl)c1C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000187147474 823017502 /nfs/dbraw/zinc/01/75/02/823017502.db2.gz GCISXYCUGVTICL-ZDUSSCGKSA-N 1 1 392.290 4.157 20 0 GIADMO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)n1 ZINC000570235627 823017602 /nfs/dbraw/zinc/01/76/02/823017602.db2.gz LIEAYIJJWBTJGF-UHFFFAOYSA-N 1 1 389.459 4.001 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187156939 823018737 /nfs/dbraw/zinc/01/87/37/823018737.db2.gz KEDMJPKJHYJBDA-HXUWFJFHSA-N 1 1 397.563 4.275 20 0 GIADMO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000570250285 823019129 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GIADMO CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)CC2 ZINC000187247232 823030076 /nfs/dbraw/zinc/03/00/76/823030076.db2.gz RHVPWLOPARVMIF-ZEQRLZLVSA-N 1 1 392.543 4.112 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1csc(-c2ccccc2)n1 ZINC000570379480 823031466 /nfs/dbraw/zinc/03/14/66/823031466.db2.gz QAACGHBAJUTYJU-VQIMIIECSA-N 1 1 392.528 4.047 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1csc(-c2ccccc2)n1 ZINC000570379479 823031538 /nfs/dbraw/zinc/03/15/38/823031538.db2.gz QAACGHBAJUTYJU-QFBILLFUSA-N 1 1 392.528 4.047 20 0 GIADMO C[C@H](c1ccco1)N(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C1CC1 ZINC000175756619 823032711 /nfs/dbraw/zinc/03/27/11/823032711.db2.gz CMYAPCXZUTXZAT-KDOFPFPSSA-N 1 1 375.900 4.471 20 0 GIADMO CCS[C@H]1CC[C@H]([N@H+](C)Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000175768130 823035343 /nfs/dbraw/zinc/03/53/43/823035343.db2.gz CPYYMVXNYFOACT-ROUUACIJSA-N 1 1 389.590 4.179 20 0 GIADMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000175768130 823035348 /nfs/dbraw/zinc/03/53/48/823035348.db2.gz CPYYMVXNYFOACT-ROUUACIJSA-N 1 1 389.590 4.179 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H](Cc3ccccc3)c3cccs3)C2)C1 ZINC000458390226 823035756 /nfs/dbraw/zinc/03/57/56/823035756.db2.gz GNCYCSBNMOHREJ-KNQAVFIVSA-N 1 1 383.561 4.159 20 0 GIADMO Cc1ccccc1O[C@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175769558 823035941 /nfs/dbraw/zinc/03/59/41/823035941.db2.gz MOEWCUOHLBNCOK-GOSISDBHSA-N 1 1 399.560 4.133 20 0 GIADMO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000458404224 823037182 /nfs/dbraw/zinc/03/71/82/823037182.db2.gz STTPRFPNBBBVIB-AHEZYBDSSA-N 1 1 383.458 4.138 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCc2cnn(-c3ccccc3)c2)cc1 ZINC000175793945 823041679 /nfs/dbraw/zinc/04/16/79/823041679.db2.gz ALNMRDGHPSWGJX-GOSISDBHSA-N 1 1 399.498 4.176 20 0 GIADMO COc1ccc(-c2ccncc2)cc1CNc1cccc(C[NH+]2CCOCC2)c1 ZINC000187318969 823042786 /nfs/dbraw/zinc/04/27/86/823042786.db2.gz CKFXBTKAQUVBND-UHFFFAOYSA-N 1 1 389.499 4.202 20 0 GIADMO Cc1cccc(Oc2cc(CNC(=O)NCC[C@H]3CCC[N@H+](C)C3)ccn2)c1C ZINC000458459462 823043126 /nfs/dbraw/zinc/04/31/26/823043126.db2.gz DIUGARPAGMRZES-LJQANCHMSA-N 1 1 396.535 4.022 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ncc(Br)cc1F ZINC000187322403 823043500 /nfs/dbraw/zinc/04/35/00/823043500.db2.gz SLEWJOFFCBTLNX-VIFPVBQESA-N 1 1 375.188 4.435 20 0 GIADMO COc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1Br ZINC000175806597 823044733 /nfs/dbraw/zinc/04/47/33/823044733.db2.gz IPAZJOZGEFGKOU-QGZVFWFLSA-N 1 1 398.341 4.008 20 0 GIADMO COc1cc(C[N@@H+](C)CC2(O)CCCCCC2)ccc1OCc1ccncc1 ZINC000190138763 823542234 /nfs/dbraw/zinc/54/22/34/823542234.db2.gz OPVZFZFTVWCHTB-UHFFFAOYSA-N 1 1 384.520 4.186 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000123816233 823543011 /nfs/dbraw/zinc/54/30/11/823543011.db2.gz IRHGEVKSSWWUOI-DENIHFKCSA-N 1 1 399.510 4.105 20 0 GIADMO CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000060566805 823543256 /nfs/dbraw/zinc/54/32/56/823543256.db2.gz KJSGWSZDLYISNI-OSVNEOKWSA-N 1 1 384.568 4.050 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)C2CCC(F)(F)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123825099 823543622 /nfs/dbraw/zinc/54/36/22/823543622.db2.gz YESVOQJAIQVROZ-PBHICJAKSA-N 1 1 388.861 4.414 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)/C=C/c2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123830392 823543809 /nfs/dbraw/zinc/54/38/09/823543809.db2.gz SZVYLNUAPHCSQI-DLNNWJJFSA-N 1 1 378.900 4.363 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000060579880 823544288 /nfs/dbraw/zinc/54/42/88/823544288.db2.gz GPSNSSDPFYIXJE-UHFFFAOYSA-N 1 1 396.531 4.437 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1oc(CC(C)C)nc1C)[NH+]1CCCCC1 ZINC000190161802 823544792 /nfs/dbraw/zinc/54/47/92/823544792.db2.gz YJOHOMARTVODAM-LJQANCHMSA-N 1 1 399.535 4.147 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCSc2ccccc21 ZINC000460936605 823546328 /nfs/dbraw/zinc/54/63/28/823546328.db2.gz ZJJQBVOZVKVJNJ-VQIMIIECSA-N 1 1 386.586 4.356 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)NOCc1ccccc1)C1CCCCC1 ZINC000060609219 823547639 /nfs/dbraw/zinc/54/76/39/823547639.db2.gz OYXAPSUUOOYPAN-UHFFFAOYSA-N 1 1 381.520 4.382 20 0 GIADMO COc1cc(Cl)c(F)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000411150459 823551909 /nfs/dbraw/zinc/55/19/09/823551909.db2.gz WKUBAHGEIILBIH-MRXNPFEDSA-N 1 1 380.847 4.038 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000123930538 823552632 /nfs/dbraw/zinc/55/26/32/823552632.db2.gz OUWUEKRAVNCMMJ-MRXNPFEDSA-N 1 1 392.425 4.086 20 0 GIADMO C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123933968 823553113 /nfs/dbraw/zinc/55/31/13/823553113.db2.gz FPMPKHYIXIPOEP-XIKOKIGWSA-N 1 1 382.813 4.180 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2cc(F)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123933968 823553114 /nfs/dbraw/zinc/55/31/14/823553114.db2.gz FPMPKHYIXIPOEP-XIKOKIGWSA-N 1 1 382.813 4.180 20 0 GIADMO CC[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000460973590 823553638 /nfs/dbraw/zinc/55/36/38/823553638.db2.gz NIMSQVMNOAVHIE-IXFSTUDKSA-N 1 1 398.522 4.245 20 0 GIADMO CC[C@@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CCC(C)CC1 ZINC000460977950 823554585 /nfs/dbraw/zinc/55/45/85/823554585.db2.gz HQHBJWNZYXMCEE-DLXXATECSA-N 1 1 378.601 4.187 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 ZINC000123951430 823554690 /nfs/dbraw/zinc/55/46/90/823554690.db2.gz PGLMUMQFWAABOL-MRXNPFEDSA-N 1 1 381.499 4.017 20 0 GIADMO CCSc1cc(Cl)ccc1C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000460984660 823555780 /nfs/dbraw/zinc/55/57/80/823555780.db2.gz VWLYHHOLQPLCQU-KRWDZBQOSA-N 1 1 392.952 4.493 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C(F)(F)F)c1 ZINC000123965091 823556094 /nfs/dbraw/zinc/55/60/94/823556094.db2.gz RTOLOYPCFWIVRB-KDOFPFPSSA-N 1 1 399.457 4.441 20 0 GIADMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)o1 ZINC000060790519 823557861 /nfs/dbraw/zinc/55/78/61/823557861.db2.gz LDRXYWCGNOPCAC-UHFFFAOYSA-N 1 1 394.512 4.004 20 0 GIADMO O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000411230215 823559007 /nfs/dbraw/zinc/55/90/07/823559007.db2.gz REVLMPNXHVZEDM-QHCPKHFHSA-N 1 1 396.506 4.150 20 0 GIADMO O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000411230215 823559010 /nfs/dbraw/zinc/55/90/10/823559010.db2.gz REVLMPNXHVZEDM-QHCPKHFHSA-N 1 1 396.506 4.150 20 0 GIADMO O=C(COc1ccccc1C[NH2+]Cc1ccc(Cl)cc1Cl)N1CCCC1 ZINC000060815954 823559452 /nfs/dbraw/zinc/55/94/52/823559452.db2.gz LVYPJIJIASSPGZ-UHFFFAOYSA-N 1 1 393.314 4.284 20 0 GIADMO Fc1ccc(C[N@@H+](CCc2ccccn2)CC2CCC3(CC2)OCCO3)cc1 ZINC000190293172 823559870 /nfs/dbraw/zinc/55/98/70/823559870.db2.gz AXRKNXBRALPAEN-UHFFFAOYSA-N 1 1 384.495 4.199 20 0 GIADMO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(-n2cc(Cl)cn2)n1 ZINC000190302972 823560756 /nfs/dbraw/zinc/56/07/56/823560756.db2.gz SXKVAHMGDHXCGU-UHFFFAOYSA-N 1 1 392.246 4.081 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000124022237 823560808 /nfs/dbraw/zinc/56/08/08/823560808.db2.gz YDFSLCGFLZNHOV-OXQOHEQNSA-N 1 1 386.923 4.474 20 0 GIADMO CO[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000461027936 823561692 /nfs/dbraw/zinc/56/16/92/823561692.db2.gz NCRCPHBFDWXAAJ-QZTJIDSGSA-N 1 1 381.303 4.100 20 0 GIADMO COC1CCC([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411277750 823561937 /nfs/dbraw/zinc/56/19/37/823561937.db2.gz XIILGAVIDLCGDQ-AJTFCVKESA-N 1 1 386.561 4.233 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000461035486 823562822 /nfs/dbraw/zinc/56/28/22/823562822.db2.gz SJHGDJKDHCNNHN-QGZVFWFLSA-N 1 1 396.560 4.085 20 0 GIADMO CN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000411295669 823562850 /nfs/dbraw/zinc/56/28/50/823562850.db2.gz DZIBUFPJPIHXCQ-GOSISDBHSA-N 1 1 396.922 4.085 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1)CC(F)(F)F ZINC000411300333 823563176 /nfs/dbraw/zinc/56/31/76/823563176.db2.gz BPRFBBCMXDTVEU-AWEZNQCLSA-N 1 1 385.405 4.187 20 0 GIADMO Cc1n[nH]c(C)c1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000124052629 823563224 /nfs/dbraw/zinc/56/32/24/823563224.db2.gz UXGAXFXNDXYIGS-UHFFFAOYSA-N 1 1 375.476 4.229 20 0 GIADMO Cc1n[nH]c(C)c1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000124052629 823563229 /nfs/dbraw/zinc/56/32/29/823563229.db2.gz UXGAXFXNDXYIGS-UHFFFAOYSA-N 1 1 375.476 4.229 20 0 GIADMO CCN1CC[C@@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303832 823563587 /nfs/dbraw/zinc/56/35/87/823563587.db2.gz HNENUMCDVPQNJU-NFBKMPQASA-N 1 1 393.575 4.087 20 0 GIADMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303832 823563588 /nfs/dbraw/zinc/56/35/88/823563588.db2.gz HNENUMCDVPQNJU-NFBKMPQASA-N 1 1 393.575 4.087 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C(C)C ZINC000124055511 823563745 /nfs/dbraw/zinc/56/37/45/823563745.db2.gz OGGRZVDTXRXYNL-IYBDPMFKSA-N 1 1 375.557 4.137 20 0 GIADMO FC(F)(F)c1ccccc1[C@H]1C[N@H+](CC2CCC3(CC2)OCCO3)CCO1 ZINC000190330676 823563758 /nfs/dbraw/zinc/56/37/58/823563758.db2.gz NPUQZCIQALKJSO-GOSISDBHSA-N 1 1 385.426 4.012 20 0 GIADMO FC(F)(F)c1ccccc1[C@H]1C[N@@H+](CC2CCC3(CC2)OCCO3)CCO1 ZINC000190330676 823563761 /nfs/dbraw/zinc/56/37/61/823563761.db2.gz NPUQZCIQALKJSO-GOSISDBHSA-N 1 1 385.426 4.012 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N(Cc1ccccc1)C1CC1 ZINC000124066585 823564575 /nfs/dbraw/zinc/56/45/75/823564575.db2.gz NMYZEWUKBUJKHN-UHFFFAOYSA-N 1 1 399.485 4.303 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cnn(CCC(C)C)c2C)cc1 ZINC000124070663 823564973 /nfs/dbraw/zinc/56/49/73/823564973.db2.gz FTNCTWOLNILWMU-MRXNPFEDSA-N 1 1 379.508 4.223 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000060904961 823565678 /nfs/dbraw/zinc/56/56/78/823565678.db2.gz FDTBLOXFYWZNTD-OAHLLOKOSA-N 1 1 381.925 4.205 20 0 GIADMO CCOc1c(OC)cc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)cc1OC ZINC000124100234 823567548 /nfs/dbraw/zinc/56/75/48/823567548.db2.gz YOHJIDHEHOPUCA-CQSZACIVSA-N 1 1 399.516 4.472 20 0 GIADMO O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000124101940 823567669 /nfs/dbraw/zinc/56/76/69/823567669.db2.gz HAHAJXRYUKWABO-KDOFPFPSSA-N 1 1 399.432 4.003 20 0 GIADMO CC[C@@](C)([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nc(C)cs1 ZINC000411393543 823569456 /nfs/dbraw/zinc/56/94/56/823569456.db2.gz XCPHVQOYBKUHBU-JOCHJYFZSA-N 1 1 397.544 4.488 20 0 GIADMO Cc1nccn1CCC[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411403214 823570585 /nfs/dbraw/zinc/57/05/85/823570585.db2.gz VXXGQCFOLUUGNK-UHFFFAOYSA-N 1 1 392.503 4.335 20 0 GIADMO COc1ccc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OCc1cccnc1 ZINC000060978697 823570907 /nfs/dbraw/zinc/57/09/07/823570907.db2.gz YGQHSZXHAGDPKT-BGYRXZFFSA-N 1 1 397.563 4.127 20 0 GIADMO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@H]4c4ccncc4)nc(N)c23)C1 ZINC000411415890 823571622 /nfs/dbraw/zinc/57/16/22/823571622.db2.gz KLBHDRJDWYJLTM-PBHICJAKSA-N 1 1 393.560 4.173 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc(Br)cc1F ZINC000411419355 823572118 /nfs/dbraw/zinc/57/21/18/823572118.db2.gz OXOAQLSRFHOXHU-QGZVFWFLSA-N 1 1 392.272 4.149 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124158620 823572932 /nfs/dbraw/zinc/57/29/32/823572932.db2.gz ZTNZDPHAYCWMRD-OAHLLOKOSA-N 1 1 381.451 4.048 20 0 GIADMO C[C@@H](CC(F)F)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000411434415 823573749 /nfs/dbraw/zinc/57/37/49/823573749.db2.gz BTKNCHSHCZLEDF-WMLDXEAASA-N 1 1 378.488 4.255 20 0 GIADMO C[C@@H](CC(F)F)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000411434415 823573752 /nfs/dbraw/zinc/57/37/52/823573752.db2.gz BTKNCHSHCZLEDF-WMLDXEAASA-N 1 1 378.488 4.255 20 0 GIADMO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000190437905 823573849 /nfs/dbraw/zinc/57/38/49/823573849.db2.gz XJQPZJMMWISHAU-NSHDSACASA-N 1 1 396.256 4.314 20 0 GIADMO Cn1ccnc1C[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000411434740 823573960 /nfs/dbraw/zinc/57/39/60/823573960.db2.gz ZJTHNJNVIKHATF-CQSZACIVSA-N 1 1 395.334 4.010 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000124170294 823574147 /nfs/dbraw/zinc/57/41/47/823574147.db2.gz NIWIPGWIDTUTAR-HNNXBMFYSA-N 1 1 392.330 4.170 20 0 GIADMO C[C@H]1CSCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000190440749 823574370 /nfs/dbraw/zinc/57/43/70/823574370.db2.gz XRWXDQVVPGWXPY-CYBMUJFWSA-N 1 1 378.339 4.091 20 0 GIADMO Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)s2)o1 ZINC000124198460 823576758 /nfs/dbraw/zinc/57/67/58/823576758.db2.gz DCCWBBDZGLGIME-INIZCTEOSA-N 1 1 397.548 4.409 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)NCc1cccc(Oc2ccccc2)c1)c1ccco1 ZINC000061072650 823577125 /nfs/dbraw/zinc/57/71/25/823577125.db2.gz PBACOHKWJKNRDA-HXUWFJFHSA-N 1 1 379.460 4.174 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccnn2C(C)(C)C)CC1 ZINC000190456651 823577210 /nfs/dbraw/zinc/57/72/10/823577210.db2.gz HYRUEIFPAXDTKV-UHFFFAOYSA-N 1 1 383.540 4.014 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)o1 ZINC000190460393 823577545 /nfs/dbraw/zinc/57/75/45/823577545.db2.gz KVSMVDSTRVGSSF-NSHDSACASA-N 1 1 382.254 4.078 20 0 GIADMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461109164 823579199 /nfs/dbraw/zinc/57/91/99/823579199.db2.gz CTUMWABQOCNDCG-KRWDZBQOSA-N 1 1 380.454 4.260 20 0 GIADMO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000411479268 823579643 /nfs/dbraw/zinc/57/96/43/823579643.db2.gz VOUUAVGTIOZVPS-GOSISDBHSA-N 1 1 379.522 4.349 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000461111867 823579759 /nfs/dbraw/zinc/57/97/59/823579759.db2.gz LBASRSZDNORIAM-QGZVFWFLSA-N 1 1 380.275 4.204 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)Nc1cc(Cl)ccc1Cl ZINC000461117413 823580610 /nfs/dbraw/zinc/58/06/10/823580610.db2.gz ULYNHGMAHWGREM-OAHLLOKOSA-N 1 1 380.275 4.204 20 0 GIADMO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)c1nc(C2CC2)no1 ZINC000411489296 823580844 /nfs/dbraw/zinc/58/08/44/823580844.db2.gz MIKBNMBJHJSCIP-HXUWFJFHSA-N 1 1 378.476 4.416 20 0 GIADMO Cc1noc(C2(C)CC[NH+](Cc3cccc(Br)c3Cl)CC2)n1 ZINC000411508924 823582402 /nfs/dbraw/zinc/58/24/02/823582402.db2.gz TYJASYMXMDSZSI-UHFFFAOYSA-N 1 1 384.705 4.348 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)C2CC2)s1 ZINC000411512702 823582834 /nfs/dbraw/zinc/58/28/34/823582834.db2.gz BOFDLSDYNRDDKX-OAQYLSRUSA-N 1 1 395.528 4.314 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000411513147 823583027 /nfs/dbraw/zinc/58/30/27/823583027.db2.gz OEOYLBSNWDLVRF-SSINHNECSA-N 1 1 390.496 4.336 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(Cl)cc2Br)C1 ZINC000124278264 823583370 /nfs/dbraw/zinc/58/33/70/823583370.db2.gz OPMCZFBCVWDYCJ-CYBMUJFWSA-N 1 1 387.749 4.344 20 0 GIADMO C[C@H](CC(F)F)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411519758 823583847 /nfs/dbraw/zinc/58/38/47/823583847.db2.gz NTHZFXBHGNKSII-GFCCVEGCSA-N 1 1 378.385 4.077 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000411526434 823584896 /nfs/dbraw/zinc/58/48/96/823584896.db2.gz NYSHXKYIABHJGK-WMZHIEFXSA-N 1 1 389.499 4.287 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000411526434 823584899 /nfs/dbraw/zinc/58/48/99/823584899.db2.gz NYSHXKYIABHJGK-WMZHIEFXSA-N 1 1 389.499 4.287 20 0 GIADMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000190544818 823584977 /nfs/dbraw/zinc/58/49/77/823584977.db2.gz XDNAQWUBOQMLNA-IWAYRVGRSA-N 1 1 395.528 4.191 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061227474 823585362 /nfs/dbraw/zinc/58/53/62/823585362.db2.gz UKBMYWQDMNMRED-FQEVSTJZSA-N 1 1 396.491 4.041 20 0 GIADMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCc3nc(-c4ccccc4)no3)n2)cc1 ZINC000411531593 823585332 /nfs/dbraw/zinc/58/53/32/823585332.db2.gz JSQNSOJICGIGIE-OAHLLOKOSA-N 1 1 389.459 4.242 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411532692 823585375 /nfs/dbraw/zinc/58/53/75/823585375.db2.gz ZOCATLSMYQNBHO-KBXCAEBGSA-N 1 1 388.309 4.256 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411537542 823586197 /nfs/dbraw/zinc/58/61/97/823586197.db2.gz VTWMKXBHOKXFJX-CYGODWOOSA-N 1 1 399.966 4.415 20 0 GIADMO CSc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000411540599 823586628 /nfs/dbraw/zinc/58/66/28/823586628.db2.gz NLYHCCACVUIABS-WBVHZDCISA-N 1 1 384.501 4.154 20 0 GIADMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000124328400 823587591 /nfs/dbraw/zinc/58/75/91/823587591.db2.gz XVLJRIVYNFMXSK-UHFFFAOYSA-N 1 1 395.434 4.037 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)C1 ZINC000124329202 823587786 /nfs/dbraw/zinc/58/77/86/823587786.db2.gz HSBBIDLMGCPGAG-MRXNPFEDSA-N 1 1 393.959 4.032 20 0 GIADMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553277 823587844 /nfs/dbraw/zinc/58/78/44/823587844.db2.gz QVUPQYZEWFBSEU-PXNSSMCTSA-N 1 1 385.939 4.169 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000190583974 823588480 /nfs/dbraw/zinc/58/84/80/823588480.db2.gz RRBOEKHXCKSQCH-PBHICJAKSA-N 1 1 385.474 4.107 20 0 GIADMO CC(=O)c1ncc(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)s1 ZINC000411567604 823588519 /nfs/dbraw/zinc/58/85/19/823588519.db2.gz ZHKJETWSSQZZIQ-UHFFFAOYSA-N 1 1 385.533 4.040 20 0 GIADMO CC(C)(C)n1nc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1C1CC1 ZINC000061284901 823589297 /nfs/dbraw/zinc/58/92/97/823589297.db2.gz RJSGZYUBIXWJLL-UHFFFAOYSA-N 1 1 398.576 4.317 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CCCc3c(O)cccc32)cc1 ZINC000190592792 823589378 /nfs/dbraw/zinc/58/93/78/823589378.db2.gz FURZXSJYYHTUSV-VFNWGFHPSA-N 1 1 375.472 4.184 20 0 GIADMO COCCC[NH+]1CCC(N[C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190597763 823589883 /nfs/dbraw/zinc/58/98/83/823589883.db2.gz HXFDVKIOWVISMT-QGZVFWFLSA-N 1 1 387.387 4.052 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC[N@H+]1C ZINC000124364324 823590448 /nfs/dbraw/zinc/59/04/48/823590448.db2.gz NAGMMGCBYXVQQV-HOCLYGCPSA-N 1 1 398.551 4.244 20 0 GIADMO C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000124366216 823590622 /nfs/dbraw/zinc/59/06/22/823590622.db2.gz VLXFNCSAVXKMPP-ZDUSSCGKSA-N 1 1 399.882 4.063 20 0 GIADMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)ccc1NC(=O)CC(C)C ZINC000124375892 823591474 /nfs/dbraw/zinc/59/14/74/823591474.db2.gz BBQXGMLDNQVYCZ-LJQANCHMSA-N 1 1 387.568 4.077 20 0 GIADMO CCC[C@@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000411651543 823594403 /nfs/dbraw/zinc/59/44/03/823594403.db2.gz XJVJUYIADJLFMG-NRFANRHFSA-N 1 1 383.517 4.191 20 0 GIADMO CCC[C@@]1(CO)CCC[N@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000411651543 823594406 /nfs/dbraw/zinc/59/44/06/823594406.db2.gz XJVJUYIADJLFMG-NRFANRHFSA-N 1 1 383.517 4.191 20 0 GIADMO COC(=O)c1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000411658061 823595086 /nfs/dbraw/zinc/59/50/86/823595086.db2.gz AZLIXAAMGUPOQJ-CYBMUJFWSA-N 1 1 393.814 4.030 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)c1cc2ccccc2o1 ZINC000190652612 823595190 /nfs/dbraw/zinc/59/51/90/823595190.db2.gz HIBDALXVJRSIMT-PKOBYXMFSA-N 1 1 392.503 4.052 20 0 GIADMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000411670270 823596188 /nfs/dbraw/zinc/59/61/88/823596188.db2.gz FKXZQRXIGYNKPJ-SFHVURJKSA-N 1 1 397.466 4.095 20 0 GIADMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCc1ccccn1 ZINC000124433995 823596455 /nfs/dbraw/zinc/59/64/55/823596455.db2.gz SMNJISCYTSEBIN-CYBMUJFWSA-N 1 1 376.382 4.386 20 0 GIADMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCc1ccccn1 ZINC000124433995 823596458 /nfs/dbraw/zinc/59/64/58/823596458.db2.gz SMNJISCYTSEBIN-CYBMUJFWSA-N 1 1 376.382 4.386 20 0 GIADMO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000411679745 823596673 /nfs/dbraw/zinc/59/66/73/823596673.db2.gz CWWMTTONKNJZQL-NSHDSACASA-N 1 1 387.427 4.240 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000461202873 823597845 /nfs/dbraw/zinc/59/78/45/823597845.db2.gz ZESTWFQQBICVJD-UHFFFAOYSA-N 1 1 389.862 4.036 20 0 GIADMO C[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)c1cc2ccccc2o1 ZINC000190686448 823598316 /nfs/dbraw/zinc/59/83/16/823598316.db2.gz HIBDALXVJRSIMT-IEBWSBKVSA-N 1 1 392.503 4.052 20 0 GIADMO CCC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2)C1CCC1 ZINC000411712542 823598916 /nfs/dbraw/zinc/59/89/16/823598916.db2.gz ZVVQYQKFUFBXJX-OXQOHEQNSA-N 1 1 385.552 4.070 20 0 GIADMO CC(C)([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)c1cc(C(F)(F)F)on1 ZINC000411756263 823602800 /nfs/dbraw/zinc/60/28/00/823602800.db2.gz IMKMQTKPBXJXRW-HNNXBMFYSA-N 1 1 395.425 4.102 20 0 GIADMO COc1c(C)cnc(C[N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)c1C ZINC000411783053 823604427 /nfs/dbraw/zinc/60/44/27/823604427.db2.gz ITRHJWBUDQUIAI-UHFFFAOYSA-N 1 1 396.318 4.474 20 0 GIADMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1NC(=O)Nc1ccccc1 ZINC000124558354 823606466 /nfs/dbraw/zinc/60/64/66/823606466.db2.gz UMWZNJQLYYPTEC-XLIONFOSSA-N 1 1 394.519 4.194 20 0 GIADMO CN(C(=O)c1csc2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124558724 823606507 /nfs/dbraw/zinc/60/65/07/823606507.db2.gz SLTUQCHQALVYAH-RTWAWAEBSA-N 1 1 399.604 4.311 20 0 GIADMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411811359 823607211 /nfs/dbraw/zinc/60/72/11/823607211.db2.gz XTYDEHCSHVSQDQ-RYUDHWBXSA-N 1 1 393.247 4.441 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccccc1OCCOc1ccccc1 ZINC000461262488 823607773 /nfs/dbraw/zinc/60/77/73/823607773.db2.gz JJJIIVXXYVDHEX-FQEVSTJZSA-N 1 1 396.531 4.091 20 0 GIADMO Cc1ccc(-n2nc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)c3c2CCCC3)cc1 ZINC000461263342 823608191 /nfs/dbraw/zinc/60/81/91/823608191.db2.gz LNQJDTQWQCSKTC-LJQANCHMSA-N 1 1 394.563 4.006 20 0 GIADMO CC(C)OCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190781694 823608265 /nfs/dbraw/zinc/60/82/65/823608265.db2.gz FEDYANNEVBYVNE-OAHLLOKOSA-N 1 1 380.286 4.061 20 0 GIADMO CC(C)OCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190781694 823608268 /nfs/dbraw/zinc/60/82/68/823608268.db2.gz FEDYANNEVBYVNE-OAHLLOKOSA-N 1 1 380.286 4.061 20 0 GIADMO Cc1[nH+]ccn1CCCCSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000124585456 823608700 /nfs/dbraw/zinc/60/87/00/823608700.db2.gz SOCPKUSIYJNPLQ-UHFFFAOYSA-N 1 1 397.335 4.043 20 0 GIADMO Brc1ccc(-c2nc(C[NH+]3CCC(c4ccncn4)CC3)co2)cc1 ZINC000411822438 823608778 /nfs/dbraw/zinc/60/87/78/823608778.db2.gz AXRGBZMRNLQZGM-UHFFFAOYSA-N 1 1 399.292 4.274 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000461268534 823609383 /nfs/dbraw/zinc/60/93/83/823609383.db2.gz UZBBURZCLLFGGK-INIZCTEOSA-N 1 1 389.927 4.260 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000461272584 823610259 /nfs/dbraw/zinc/61/02/59/823610259.db2.gz PSDKWHXPSABZNA-FQEVSTJZSA-N 1 1 384.495 4.351 20 0 GIADMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000411892243 823613450 /nfs/dbraw/zinc/61/34/50/823613450.db2.gz LRCGDKYXUFYPOM-AEFFLSMTSA-N 1 1 389.377 4.157 20 0 GIADMO O=C(NCCc1ccc(Cl)s1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788538 823614239 /nfs/dbraw/zinc/61/42/39/823614239.db2.gz SOWZUHPSWKVINE-UHFFFAOYSA-N 1 1 395.981 4.315 20 0 GIADMO CC(C)Oc1ccccc1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788438 823614343 /nfs/dbraw/zinc/61/43/43/823614343.db2.gz LCBIONKCKABKQW-UHFFFAOYSA-N 1 1 399.560 4.344 20 0 GIADMO O=C(NC[C@H]1CCCc2ccccc21)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790105 823614550 /nfs/dbraw/zinc/61/45/50/823614550.db2.gz OUSQUANAZLGZQD-LJQANCHMSA-N 1 1 395.572 4.477 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461309372 823615138 /nfs/dbraw/zinc/61/51/38/823615138.db2.gz QOSMBBLUMYQGDP-PXNSSMCTSA-N 1 1 395.576 4.221 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000411939634 823615160 /nfs/dbraw/zinc/61/51/60/823615160.db2.gz KOBBDSOCEQLVFB-DLBZAZTESA-N 1 1 389.377 4.063 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000411939634 823615162 /nfs/dbraw/zinc/61/51/62/823615162.db2.gz KOBBDSOCEQLVFB-DLBZAZTESA-N 1 1 389.377 4.063 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)c(OC)c1 ZINC000411940871 823615424 /nfs/dbraw/zinc/61/54/24/823615424.db2.gz LJEADRIYWANRSA-YLJYHZDGSA-N 1 1 396.512 4.135 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)c(OC)c1 ZINC000411940871 823615425 /nfs/dbraw/zinc/61/54/25/823615425.db2.gz LJEADRIYWANRSA-YLJYHZDGSA-N 1 1 396.512 4.135 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)CC[N@H+]1C ZINC000124671504 823615974 /nfs/dbraw/zinc/61/59/74/823615974.db2.gz PUGBFEGIGWQWRH-YJBOKZPZSA-N 1 1 387.524 4.068 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190849494 823616240 /nfs/dbraw/zinc/61/62/40/823616240.db2.gz FEDALMOFKXVXCI-HXUWFJFHSA-N 1 1 395.547 4.397 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190849514 823616259 /nfs/dbraw/zinc/61/62/59/823616259.db2.gz FEDALMOFKXVXCI-FQEVSTJZSA-N 1 1 395.547 4.397 20 0 GIADMO Cc1cc(C)c(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)c1 ZINC000190849410 823616284 /nfs/dbraw/zinc/61/62/84/823616284.db2.gz QDGYJJROTLRMLH-NRFANRHFSA-N 1 1 381.520 4.024 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000411956631 823616609 /nfs/dbraw/zinc/61/66/09/823616609.db2.gz WIXJJIQCYOMHIO-OALUTQOASA-N 1 1 399.288 4.412 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000411956631 823616611 /nfs/dbraw/zinc/61/66/11/823616611.db2.gz WIXJJIQCYOMHIO-OALUTQOASA-N 1 1 399.288 4.412 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000124680204 823616893 /nfs/dbraw/zinc/61/68/93/823616893.db2.gz WHZNTSNYQOWPPW-FHWLQOOXSA-N 1 1 379.548 4.452 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000124680204 823616897 /nfs/dbraw/zinc/61/68/97/823616897.db2.gz WHZNTSNYQOWPPW-FHWLQOOXSA-N 1 1 379.548 4.452 20 0 GIADMO CO[C@@](C)([C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C1CC1 ZINC000411964643 823617066 /nfs/dbraw/zinc/61/70/66/823617066.db2.gz DMKRBRNKKPINLY-XCLFUZPHSA-N 1 1 391.512 4.260 20 0 GIADMO CC[N@H+]1CCCN(c2nnc(-c3ccc(C)c(F)c3)n2Cc2cccs2)CC1 ZINC000461319236 823617093 /nfs/dbraw/zinc/61/70/93/823617093.db2.gz VIVMVSFOJCPBPU-UHFFFAOYSA-N 1 1 399.539 4.034 20 0 GIADMO CO[C@](C)([C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C1CC1 ZINC000411968221 823617130 /nfs/dbraw/zinc/61/71/30/823617130.db2.gz IZMNWRGJYNZZRV-YCRPNKLZSA-N 1 1 387.549 4.429 20 0 GIADMO C[C@@H](c1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1)C(F)(F)F ZINC000411973416 823617264 /nfs/dbraw/zinc/61/72/64/823617264.db2.gz QIGLPHAJPQHGAJ-KYNGSXCRSA-N 1 1 376.422 4.053 20 0 GIADMO CC(C)[C@@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000411982181 823617989 /nfs/dbraw/zinc/61/79/89/823617989.db2.gz CGMATIXAFBPYGV-RPWUZVMVSA-N 1 1 392.543 4.354 20 0 GIADMO CC(C)[C@@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000411982181 823617990 /nfs/dbraw/zinc/61/79/90/823617990.db2.gz CGMATIXAFBPYGV-RPWUZVMVSA-N 1 1 392.543 4.354 20 0 GIADMO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411981670 823617992 /nfs/dbraw/zinc/61/79/92/823617992.db2.gz BSNUFWPXHRRAGT-DVECYGJZSA-N 1 1 392.543 4.280 20 0 GIADMO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411981670 823617993 /nfs/dbraw/zinc/61/79/93/823617993.db2.gz BSNUFWPXHRRAGT-DVECYGJZSA-N 1 1 392.543 4.280 20 0 GIADMO COc1ccc([C@H](C)[N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000124692579 823618033 /nfs/dbraw/zinc/61/80/33/823618033.db2.gz PXQJUAARFIYGGI-KRWDZBQOSA-N 1 1 378.472 4.411 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000411991610 823618652 /nfs/dbraw/zinc/61/86/52/823618652.db2.gz UVZWMUJPFZBVBP-LSWJPFSZSA-N 1 1 382.548 4.021 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000411991610 823618655 /nfs/dbraw/zinc/61/86/55/823618655.db2.gz UVZWMUJPFZBVBP-LSWJPFSZSA-N 1 1 382.548 4.021 20 0 GIADMO CC(C)N(C(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000411990639 823618671 /nfs/dbraw/zinc/61/86/71/823618671.db2.gz RLRDBDITNLWNLX-HSZRJFAPSA-N 1 1 378.516 4.282 20 0 GIADMO CC(C)N(C(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000411990639 823618672 /nfs/dbraw/zinc/61/86/72/823618672.db2.gz RLRDBDITNLWNLX-HSZRJFAPSA-N 1 1 378.516 4.282 20 0 GIADMO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995360 823619181 /nfs/dbraw/zinc/61/91/81/823619181.db2.gz CRXONRCEKCTIJI-GCJKJVERSA-N 1 1 396.506 4.026 20 0 GIADMO O=C1[C@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1cccc(Cl)c1 ZINC000411999105 823619887 /nfs/dbraw/zinc/61/98/87/823619887.db2.gz MFLUXEKPKNEWRM-RTWAWAEBSA-N 1 1 396.918 4.299 20 0 GIADMO O=C1[C@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1cccc(Cl)c1 ZINC000411999105 823619890 /nfs/dbraw/zinc/61/98/90/823619890.db2.gz MFLUXEKPKNEWRM-RTWAWAEBSA-N 1 1 396.918 4.299 20 0 GIADMO OCC1([C@H]([NH2+]Cc2nccn2CC(F)(F)F)c2ccccc2)CCCCC1 ZINC000412004736 823621372 /nfs/dbraw/zinc/62/13/72/823621372.db2.gz DLPOTVNGVOIYNN-GOSISDBHSA-N 1 1 381.442 4.219 20 0 GIADMO OCC1([C@H]([NH2+]Cc2ncc(-c3ccccc3F)o2)c2ccccc2)CCOCC1 ZINC000412007331 823621871 /nfs/dbraw/zinc/62/18/71/823621871.db2.gz FJCXVEKAXATLAS-JOCHJYFZSA-N 1 1 396.462 4.101 20 0 GIADMO OCC1([C@H]([NH2+]Cc2csc(C3CCCC3)n2)c2ccccc2)CCOCC1 ZINC000412007349 823621875 /nfs/dbraw/zinc/62/18/75/823621875.db2.gz FKXUNCCGCBWYRF-HXUWFJFHSA-N 1 1 386.561 4.421 20 0 GIADMO OCC1([C@H]([NH2+]Cc2csc(-c3ncccn3)n2)c2ccccc2)CCCCC1 ZINC000412009636 823622265 /nfs/dbraw/zinc/62/22/65/823622265.db2.gz MSRALWYSRILLCS-LJQANCHMSA-N 1 1 394.544 4.374 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000412057797 823624780 /nfs/dbraw/zinc/62/47/80/823624780.db2.gz SBRFMLWWRFKWRE-LJQANCHMSA-N 1 1 376.928 4.106 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000062229279 823625055 /nfs/dbraw/zinc/62/50/55/823625055.db2.gz NNEFKCSFDZWFGM-MRXNPFEDSA-N 1 1 394.412 4.487 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000062229902 823625132 /nfs/dbraw/zinc/62/51/32/823625132.db2.gz UQKCADGXNCNTSD-QRVBRYPASA-N 1 1 382.470 4.384 20 0 GIADMO OC1CN(Cc2ccc(C(F)F)cc2)CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000461374958 823625234 /nfs/dbraw/zinc/62/52/34/823625234.db2.gz LPZPNZFJLGAOFO-UHFFFAOYSA-N 1 1 396.428 4.241 20 0 GIADMO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000461374588 823625263 /nfs/dbraw/zinc/62/52/63/823625263.db2.gz JABLQZIUPBAXLR-SFHVURJKSA-N 1 1 382.895 4.491 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(c2cccc(Cl)c2)CC1 ZINC000062230498 823625274 /nfs/dbraw/zinc/62/52/74/823625274.db2.gz ZRHHNDVBNJZBFG-IBGZPJMESA-N 1 1 382.935 4.400 20 0 GIADMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000461374588 823625266 /nfs/dbraw/zinc/62/52/66/823625266.db2.gz JABLQZIUPBAXLR-SFHVURJKSA-N 1 1 382.895 4.491 20 0 GIADMO CCOc1ccccc1CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062231226 823625308 /nfs/dbraw/zinc/62/53/08/823625308.db2.gz ZKYRVYVJOLSHNO-OAQYLSRUSA-N 1 1 380.532 4.046 20 0 GIADMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412078738 823625944 /nfs/dbraw/zinc/62/59/44/823625944.db2.gz UUASAZDYAZLBSZ-CVEARBPZSA-N 1 1 386.496 4.027 20 0 GIADMO COCC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000412084510 823626232 /nfs/dbraw/zinc/62/62/32/823626232.db2.gz MNEMOICIHPBUGM-UHFFFAOYSA-N 1 1 387.351 4.137 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000412118570 823627652 /nfs/dbraw/zinc/62/76/52/823627652.db2.gz DSJNRCHTXZPKPM-ZZNFJVAJSA-N 1 1 378.516 4.007 20 0 GIADMO COc1ccccc1SCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000124828552 823629366 /nfs/dbraw/zinc/62/93/66/823629366.db2.gz KCDMRHWBCJQUID-UZLBHIALSA-N 1 1 390.936 4.002 20 0 GIADMO COc1ccccc1SCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000124828552 823629367 /nfs/dbraw/zinc/62/93/67/823629367.db2.gz KCDMRHWBCJQUID-UZLBHIALSA-N 1 1 390.936 4.002 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1CCC(n2cncn2)CC1 ZINC000124855957 823631361 /nfs/dbraw/zinc/63/13/61/823631361.db2.gz VXHPZELRJNMJSQ-NSHDSACASA-N 1 1 393.278 4.033 20 0 GIADMO Cc1csc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1Br ZINC000190970453 823632395 /nfs/dbraw/zinc/63/23/95/823632395.db2.gz NBKSJKHWWAUJSW-ZFWWWQNUSA-N 1 1 393.350 4.212 20 0 GIADMO Cc1ccc(CCCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000461421468 823633107 /nfs/dbraw/zinc/63/31/07/823633107.db2.gz COWHWOYTQAJGML-SFTDATJTSA-N 1 1 382.573 4.360 20 0 GIADMO O=C(CCCc1cc(F)ccc1F)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422824 823633403 /nfs/dbraw/zinc/63/34/03/823633403.db2.gz JRKPSUBFWSQDNE-NHCUHLMSSA-N 1 1 398.497 4.268 20 0 GIADMO O=C(c1cncc(-c2ccccc2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461424663 823633748 /nfs/dbraw/zinc/63/37/48/823633748.db2.gz HXFBKDSEHOJPJG-WIOPSUGQSA-N 1 1 397.522 4.343 20 0 GIADMO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461425406 823633977 /nfs/dbraw/zinc/63/39/77/823633977.db2.gz IXLRSIDAWBQZBA-BVYCBKJFSA-N 1 1 396.962 4.499 20 0 GIADMO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461425453 823633998 /nfs/dbraw/zinc/63/39/98/823633998.db2.gz JCCDRVZKHGLUMG-WCIQWLHISA-N 1 1 394.481 4.336 20 0 GIADMO CCOc1cc(CNC[C@H](C)[NH+]2CCC(C)CC2)cc(Br)c1OC ZINC000062423583 823635051 /nfs/dbraw/zinc/63/50/51/823635051.db2.gz UVNDDYSLGXFDQB-HNNXBMFYSA-N 1 1 399.373 4.066 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000412202617 823635387 /nfs/dbraw/zinc/63/53/87/823635387.db2.gz FFCQLBXLQXSICK-UZVYXBEXSA-N 1 1 392.543 4.216 20 0 GIADMO O=C(CCSc1ccccc1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461432732 823636139 /nfs/dbraw/zinc/63/61/39/823636139.db2.gz VGXGHIAYWQELCK-VQTJNVASSA-N 1 1 398.547 4.288 20 0 GIADMO CSC1(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000190995109 823636147 /nfs/dbraw/zinc/63/61/47/823636147.db2.gz VINGWVYRWKENCN-UHFFFAOYSA-N 1 1 386.483 4.024 20 0 GIADMO CCSc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461433618 823636494 /nfs/dbraw/zinc/63/64/94/823636494.db2.gz WXDSTGYPOMHVEC-NHCUHLMSSA-N 1 1 380.557 4.393 20 0 GIADMO CC[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(OC)cc1 ZINC000461434421 823636616 /nfs/dbraw/zinc/63/66/16/823636616.db2.gz YWHQWNHYXBJBGQ-FIXSFTCYSA-N 1 1 392.543 4.169 20 0 GIADMO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436736 823637174 /nfs/dbraw/zinc/63/71/74/823637174.db2.gz DHUODJFNGUBMIR-MCEIDBOGSA-N 1 1 396.481 4.049 20 0 GIADMO C[C@H](CCc1ccccc1F)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461438335 823637349 /nfs/dbraw/zinc/63/73/49/823637349.db2.gz LERGXVKGTAJSKR-PTUXOGIPSA-N 1 1 394.534 4.375 20 0 GIADMO O=C(CCn1ccc2ccccc21)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439279 823637441 /nfs/dbraw/zinc/63/74/41/823637441.db2.gz QJAWYJIIFYGBAI-DHIUTWEWSA-N 1 1 387.527 4.012 20 0 GIADMO O=C(C/C=C/c1ccccc1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440394 823637822 /nfs/dbraw/zinc/63/78/22/823637822.db2.gz XXAHEAHOCSKNND-IOZAGNAOSA-N 1 1 378.491 4.210 20 0 GIADMO O=C(c1cc2c(s1)CCCC2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461441271 823638293 /nfs/dbraw/zinc/63/82/93/823638293.db2.gz FMFPGJSWKREBPF-PMACEKPBSA-N 1 1 380.557 4.221 20 0 GIADMO Cc1ccc2[nH]c(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2c1C ZINC000461446750 823639496 /nfs/dbraw/zinc/63/94/96/823639496.db2.gz NLNZXPAKUXRPOC-SFTDATJTSA-N 1 1 387.527 4.379 20 0 GIADMO Cc1cc(F)cc2[nH]c(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cc21 ZINC000461447404 823639618 /nfs/dbraw/zinc/63/96/18/823639618.db2.gz IIGOUFZDLYQTDE-OALUTQOASA-N 1 1 391.490 4.210 20 0 GIADMO O=C(CCSCc1ccccc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448246 823639845 /nfs/dbraw/zinc/63/98/45/823639845.db2.gz NXMITYHMTDPDAA-XZOQPEGZSA-N 1 1 394.584 4.290 20 0 GIADMO Cc1cc(C(F)(F)F)ccc1CNc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000191031904 823640132 /nfs/dbraw/zinc/64/01/32/823640132.db2.gz KVDSBCCLZHQXRS-LJQANCHMSA-N 1 1 391.437 4.076 20 0 GIADMO C[C@H](NC(=O)C[C@H](c1ccc(O)cc1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412256417 823640559 /nfs/dbraw/zinc/64/05/59/823640559.db2.gz QXYICULVFRSXEB-OEOAZWSVSA-N 1 1 392.543 4.303 20 0 GIADMO C[C@H](Sc1ccccc1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461452865 823640674 /nfs/dbraw/zinc/64/06/74/823640674.db2.gz YMPNEJWVJHDFHV-CEWLAPEOSA-N 1 1 380.557 4.148 20 0 GIADMO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)cc1F ZINC000461453186 823640717 /nfs/dbraw/zinc/64/07/17/823640717.db2.gz XBKYEBIOOBEUMZ-MSOLQXFVSA-N 1 1 386.898 4.382 20 0 GIADMO CC(C)(C)c1ccc(C2([NH2+]Cc3nnnn3CC(F)(F)F)CCCC2)cc1 ZINC000191037741 823641053 /nfs/dbraw/zinc/64/10/53/823641053.db2.gz MPFIVUXEOWXKST-UHFFFAOYSA-N 1 1 381.446 4.092 20 0 GIADMO Cc1cc(C)cc(CCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461455416 823641323 /nfs/dbraw/zinc/64/13/23/823641323.db2.gz KGDIOURKBXDQKW-ZEQRLZLVSA-N 1 1 376.544 4.217 20 0 GIADMO Cc1c2cc(F)ccc2oc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456284 823641515 /nfs/dbraw/zinc/64/15/15/823641515.db2.gz NXQHHMVVKPZGGH-RBUKOAKNSA-N 1 1 392.474 4.474 20 0 GIADMO CSCc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F 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CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000461614602 823671236 /nfs/dbraw/zinc/67/12/36/823671236.db2.gz PXHIREWMRAUTSI-CQSZACIVSA-N 1 1 393.528 4.020 20 0 GIADMO COc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1F ZINC000063463780 823673024 /nfs/dbraw/zinc/67/30/24/823673024.db2.gz ALVZAZPKSWFGTB-XLIONFOSSA-N 1 1 399.510 4.249 20 0 GIADMO CN(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464641 823673415 /nfs/dbraw/zinc/67/34/15/823673415.db2.gz VJIFZKXVCLJUMT-HXUWFJFHSA-N 1 1 385.939 4.394 20 0 GIADMO O=C(CC[N@@H+](CCc1ccccc1)Cc1cccnc1)N1CCc2ccccc2C1 ZINC000191346431 823674685 /nfs/dbraw/zinc/67/46/85/823674685.db2.gz FTPHCBVGHYWMIL-UHFFFAOYSA-N 1 1 399.538 4.101 20 0 GIADMO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000191349305 823674995 /nfs/dbraw/zinc/67/49/95/823674995.db2.gz AFUOYZGBXJOFLQ-QFIPXVFZSA-N 1 1 381.907 4.471 20 0 GIADMO O=C(C[N@H+](CCc1ccccc1)Cc1cccnc1)Nc1ccc(F)cc1F ZINC000191355422 823675754 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GIADMO Cc1nc(C2([NH2+]CCCc3nc(-c4cccs4)no3)CCCCCC2)no1 ZINC000063511894 823677265 /nfs/dbraw/zinc/67/72/65/823677265.db2.gz GOLCTIPAOSMZCK-UHFFFAOYSA-N 1 1 387.509 4.261 20 0 GIADMO CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000125459640 823677932 /nfs/dbraw/zinc/67/79/32/823677932.db2.gz IJCNWUBNLWJCGH-VXKWHMMOSA-N 1 1 387.545 4.084 20 0 GIADMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3ccccc3-c3cccs3)C2)CC1 ZINC000125480427 823679625 /nfs/dbraw/zinc/67/96/25/823679625.db2.gz HCAZDXKFJFKHJK-SFHVURJKSA-N 1 1 398.576 4.049 20 0 GIADMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000125493013 823680607 /nfs/dbraw/zinc/68/06/07/823680607.db2.gz ZNRGGSNUQWTPGZ-GOSISDBHSA-N 1 1 376.500 4.007 20 0 GIADMO Cc1ccccc1[C@@H](OC[C@H](O)C[N@H+](C(C)C)C1CCOCC1)c1ccccc1 ZINC000125503044 823681259 /nfs/dbraw/zinc/68/12/59/823681259.db2.gz JAMRDYLAFLGECQ-NOZRDPDXSA-N 1 1 397.559 4.351 20 0 GIADMO CC(C)[C@@H]1N(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC12CCOCC2 ZINC000412759392 823681358 /nfs/dbraw/zinc/68/13/58/823681358.db2.gz TWIIZDNULAREOS-FPOVZHCZSA-N 1 1 399.579 4.157 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2COc3cccc(Cl)c32)C1 ZINC000461697364 823683148 /nfs/dbraw/zinc/68/31/48/823683148.db2.gz CWHZYGVCDSADNO-RYRKJORJSA-N 1 1 391.943 4.070 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@@H]3c3ccncc3)ccc2c1 ZINC000125555654 823684963 /nfs/dbraw/zinc/68/49/63/823684963.db2.gz KWZVJPMXCLJCRD-HSZRJFAPSA-N 1 1 389.499 4.039 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@@H]3c3ccncc3)ccc2c1 ZINC000125555654 823684965 /nfs/dbraw/zinc/68/49/65/823684965.db2.gz KWZVJPMXCLJCRD-HSZRJFAPSA-N 1 1 389.499 4.039 20 0 GIADMO CCCN(C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCCc2cccnc21 ZINC000461707666 823685081 /nfs/dbraw/zinc/68/50/81/823685081.db2.gz NEOVCUIYAMZSOR-DENIHFKCSA-N 1 1 394.563 4.401 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125570966 823686324 /nfs/dbraw/zinc/68/63/24/823686324.db2.gz XSXMIVHFDFUCQD-AWEZNQCLSA-N 1 1 394.441 4.252 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000461722591 823687467 /nfs/dbraw/zinc/68/74/67/823687467.db2.gz FCZONYIOLNEWBG-GFCCVEGCSA-N 1 1 391.846 4.156 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063676099 823688660 /nfs/dbraw/zinc/68/86/60/823688660.db2.gz WMOYPPRUSQKLGN-IBGZPJMESA-N 1 1 389.515 4.003 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)on1 ZINC000063694036 823689809 /nfs/dbraw/zinc/68/98/09/823689809.db2.gz PXLYQSYEUKLKEC-KRWDZBQOSA-N 1 1 387.549 4.126 20 0 GIADMO CC(C)c1ccc(-c2ncc(C[N@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)s2)cc1 ZINC000125618067 823690444 /nfs/dbraw/zinc/69/04/44/823690444.db2.gz DXJWGIYOVXDLBW-QUCCMNQESA-N 1 1 383.561 4.424 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000461748837 823691295 /nfs/dbraw/zinc/69/12/95/823691295.db2.gz VQGLHJHNAYVGHY-LLVKDONJSA-N 1 1 389.468 4.099 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)CCCCc2ccc(Br)cc2)CC1 ZINC000063722389 823691455 /nfs/dbraw/zinc/69/14/55/823691455.db2.gz ZGCLRJDVJDYYAF-UHFFFAOYSA-N 1 1 395.385 4.495 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 ZINC000063724082 823691788 /nfs/dbraw/zinc/69/17/88/823691788.db2.gz VBGLOEACTOSZOP-UHFFFAOYSA-N 1 1 392.503 4.079 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000191498272 823691889 /nfs/dbraw/zinc/69/18/89/823691889.db2.gz OFGLLYDEBOIMGN-KRWDZBQOSA-N 1 1 390.959 4.455 20 0 GIADMO COc1cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc(Cl)c1OCC(C)C ZINC000063727070 823692181 /nfs/dbraw/zinc/69/21/81/823692181.db2.gz NQAYWVOGMAINLE-UHFFFAOYSA-N 1 1 396.959 4.330 20 0 GIADMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 ZINC000125639390 823692461 /nfs/dbraw/zinc/69/24/61/823692461.db2.gz OPJPHYSFONYILU-QGZVFWFLSA-N 1 1 395.503 4.008 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000191505445 823692893 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COc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1Cc1ccccc1 ZINC000461801485 823697533 /nfs/dbraw/zinc/69/75/33/823697533.db2.gz FYDYSFJUIULFOZ-UHFFFAOYSA-N 1 1 391.471 4.122 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000063812551 823699013 /nfs/dbraw/zinc/69/90/13/823699013.db2.gz CCASQHAVXWVKNK-NSHDSACASA-N 1 1 398.732 4.188 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125721223 823700021 /nfs/dbraw/zinc/70/00/21/823700021.db2.gz NVWWFJIGMVPNQX-HXUWFJFHSA-N 1 1 380.532 4.354 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+](Cc3cc(Cl)ccc3OC)CC2)n1 ZINC000191563032 823700119 /nfs/dbraw/zinc/70/01/19/823700119.db2.gz ZAXJUDMUMGLLQE-UHFFFAOYSA-N 1 1 394.924 4.361 20 0 GIADMO Cc1c([C@@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000125732041 823701493 /nfs/dbraw/zinc/70/14/93/823701493.db2.gz GMXUKBBNJONQOF-NVXWUHKLSA-N 1 1 375.948 4.000 20 0 GIADMO CC(C)[C@@H]1CCC[N@@H+]1Cn1nc(COc2ccc(Cl)cc2)n(C)c1=S ZINC000063858851 823703131 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O=C(C[C@H]1CCC[N@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350118 823706570 /nfs/dbraw/zinc/70/65/70/823706570.db2.gz ODONECXTJIPVRG-RTWAWAEBSA-N 1 1 398.572 4.076 20 0 GIADMO O=C(C[C@H]1CCCN1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350118 823706573 /nfs/dbraw/zinc/70/65/73/823706573.db2.gz ODONECXTJIPVRG-RTWAWAEBSA-N 1 1 398.572 4.076 20 0 GIADMO O=C(C[C@H]1CCCN1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350118 823706576 /nfs/dbraw/zinc/70/65/76/823706576.db2.gz ODONECXTJIPVRG-RTWAWAEBSA-N 1 1 398.572 4.076 20 0 GIADMO c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000574365532 823709971 /nfs/dbraw/zinc/70/99/71/823709971.db2.gz CNUBXHBTGFTOKI-IBGZPJMESA-N 1 1 384.487 4.037 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)c1nnc2ccccn21 ZINC000163471477 823713238 /nfs/dbraw/zinc/71/32/38/823713238.db2.gz WEXWDNXFONQSRG-INIZCTEOSA-N 1 1 376.435 4.298 20 0 GIADMO Cn1cc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(-c2cccnc2)n1 ZINC000191616750 823713946 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387.549 4.201 20 0 GIADMO CCN1CC[C@H]([N@H+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653465 823733069 /nfs/dbraw/zinc/73/30/69/823733069.db2.gz WFHCFRJHQITFCQ-KDOFPFPSSA-N 1 1 376.342 4.159 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653465 823733073 /nfs/dbraw/zinc/73/30/73/823733073.db2.gz WFHCFRJHQITFCQ-KDOFPFPSSA-N 1 1 376.342 4.159 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000125879709 823735563 /nfs/dbraw/zinc/73/55/63/823735563.db2.gz MFBJQLCQKOTGHF-HZPDHXFCSA-N 1 1 378.586 4.294 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2nc(-c3ccccc3)oc2C2CC2)C1 ZINC000163682782 823736937 /nfs/dbraw/zinc/73/69/37/823736937.db2.gz JLLVRZPZIQIHOW-KRWDZBQOSA-N 1 1 381.520 4.317 20 0 GIADMO CCOc1ccc(NC(=O)NCC[N@@H+](CC)CCC(F)(F)F)c2ncccc12 ZINC000574464145 823736996 /nfs/dbraw/zinc/73/69/96/823736996.db2.gz NGEZWPPMPATLKJ-UHFFFAOYSA-N 1 1 398.429 4.029 20 0 GIADMO CSC1(CN[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC[NH+](C)CC1 ZINC000574493029 823747067 /nfs/dbraw/zinc/74/70/67/823747067.db2.gz LKNKMMWOABHKKC-OAQYLSRUSA-N 1 1 397.588 4.092 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Cl)c1Br ZINC000191730794 823750378 /nfs/dbraw/zinc/75/03/78/823750378.db2.gz HPIFOMPUDYPVMT-NEPJUHHUSA-N 1 1 386.721 4.193 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)ccc1O ZINC000125949122 823751210 /nfs/dbraw/zinc/75/12/10/823751210.db2.gz RBSLZPKAIOFOSG-UHFFFAOYSA-N 1 1 394.471 4.015 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000125952494 823751802 /nfs/dbraw/zinc/75/18/02/823751802.db2.gz LNCJHDMYEDYFPJ-KBXCAEBGSA-N 1 1 383.964 4.022 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000461914642 823752036 /nfs/dbraw/zinc/75/20/36/823752036.db2.gz QPKQXZNUOKODFX-UHFFFAOYSA-N 1 1 385.455 4.241 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000163829909 823752507 /nfs/dbraw/zinc/75/25/07/823752507.db2.gz HCHCLJPGHJOPIO-MRXNPFEDSA-N 1 1 395.528 4.128 20 0 GIADMO Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)o2)c(Cl)c1 ZINC000064142771 823754215 /nfs/dbraw/zinc/75/42/15/823754215.db2.gz RWIZKVAHYNEVOT-NSHDSACASA-N 1 1 378.263 4.146 20 0 GIADMO Clc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)o2)c(Cl)c1 ZINC000064142771 823754220 /nfs/dbraw/zinc/75/42/20/823754220.db2.gz RWIZKVAHYNEVOT-NSHDSACASA-N 1 1 378.263 4.146 20 0 GIADMO COCc1ccccc1CNC(=O)C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000064143240 823754676 /nfs/dbraw/zinc/75/46/76/823754676.db2.gz AZZSYZRRSNTCGC-INIZCTEOSA-N 1 1 386.923 4.328 20 0 GIADMO COCc1ccccc1CNC(=O)C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000064143240 823754680 /nfs/dbraw/zinc/75/46/80/823754680.db2.gz AZZSYZRRSNTCGC-INIZCTEOSA-N 1 1 386.923 4.328 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000125974307 823757381 /nfs/dbraw/zinc/75/73/81/823757381.db2.gz CWZNJHJQOCWEDO-YADHBBJMSA-N 1 1 393.437 4.264 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)c2cccc(Br)c2)c1 ZINC000461925072 823758657 /nfs/dbraw/zinc/75/86/57/823758657.db2.gz ZONUIWFYDRLMSG-HNNXBMFYSA-N 1 1 389.337 4.321 20 0 GIADMO O=C(CCCc1cc(F)ccc1F)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000125988468 823761150 /nfs/dbraw/zinc/76/11/50/823761150.db2.gz VSFPLZZUZCFXTC-INIZCTEOSA-N 1 1 392.515 4.377 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000461930794 823762069 /nfs/dbraw/zinc/76/20/69/823762069.db2.gz FEDLQEULJGQRIN-UHFFFAOYSA-N 1 1 398.385 4.034 20 0 GIADMO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126015908 823766713 /nfs/dbraw/zinc/76/67/13/823766713.db2.gz CWCFIWSJPCPCCC-UWJYYQICSA-N 1 1 394.625 4.420 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cc(C2CC2)ccn1 ZINC000574561275 823766823 /nfs/dbraw/zinc/76/68/23/823766823.db2.gz BFXUKOLXKWSVQZ-YPGOJHLTSA-N 1 1 378.520 4.237 20 0 GIADMO C[C@H](CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413399569 823768901 /nfs/dbraw/zinc/76/89/01/823768901.db2.gz HKWCWENGNIRVLG-XYJFISCASA-N 1 1 385.474 4.175 20 0 GIADMO CCNC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000126038233 823771859 /nfs/dbraw/zinc/77/18/59/823771859.db2.gz FZZDSOUOGFQUPD-INIZCTEOSA-N 1 1 396.487 4.149 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2Cc2ccccc2OC)c1 ZINC000064229419 823775873 /nfs/dbraw/zinc/77/58/73/823775873.db2.gz NJZWJIMMRCNRST-QFIPXVFZSA-N 1 1 395.547 4.064 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3(c4cccnc4)CCCC3)c2)C[C@@H](C)O1 ZINC000574600729 823777088 /nfs/dbraw/zinc/77/70/88/823777088.db2.gz SLEVWGBCOVMCIT-RTBURBONSA-N 1 1 393.531 4.141 20 0 GIADMO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164114742 823779275 /nfs/dbraw/zinc/77/92/75/823779275.db2.gz JUSMRPJIEXPQPW-BSXFFOKHSA-N 1 1 385.474 4.179 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000064249711 823780307 /nfs/dbraw/zinc/78/03/07/823780307.db2.gz HZWGKHCBZCUDDS-JKSUJKDBSA-N 1 1 388.861 4.148 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C(N)=O)c2ccccc2)CCC3)cc1 ZINC000126077480 823781431 /nfs/dbraw/zinc/78/14/31/823781431.db2.gz ZMNRODSQXTYJIN-HKUYNNGSSA-N 1 1 393.512 4.012 20 0 GIADMO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1 ZINC000413477863 823785579 /nfs/dbraw/zinc/78/55/79/823785579.db2.gz WSTPAGRCHVCKAH-KBPBESRZSA-N 1 1 397.363 4.092 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000461999096 823789627 /nfs/dbraw/zinc/78/96/27/823789627.db2.gz BJZGQLDSCHNLNZ-WIYYLYMNSA-N 1 1 382.552 4.225 20 0 GIADMO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000191835884 823791393 /nfs/dbraw/zinc/79/13/93/823791393.db2.gz KYVMXKULLWTVCA-CQSZACIVSA-N 1 1 379.888 4.102 20 0 GIADMO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000164273875 823791928 /nfs/dbraw/zinc/79/19/28/823791928.db2.gz YNQBGIZAVKRXDH-SFHVURJKSA-N 1 1 377.488 4.138 20 0 GIADMO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000164274000 823792089 /nfs/dbraw/zinc/79/20/89/823792089.db2.gz YNQBGIZAVKRXDH-GOSISDBHSA-N 1 1 377.488 4.138 20 0 GIADMO CC(C)c1c(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000574660778 823793359 /nfs/dbraw/zinc/79/33/59/823793359.db2.gz BZFUUEYYPWPDPM-QGZVFWFLSA-N 1 1 398.526 4.081 20 0 GIADMO Cc1cscc1NC(=O)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000126124566 823794221 /nfs/dbraw/zinc/79/42/21/823794221.db2.gz KVRWJTWRTPZEQJ-UHFFFAOYSA-N 1 1 399.560 4.076 20 0 GIADMO CCc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000574666367 823795308 /nfs/dbraw/zinc/79/53/08/823795308.db2.gz DUVSXEURTSFYDD-PXNSSMCTSA-N 1 1 389.499 4.297 20 0 GIADMO Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000462018009 823796064 /nfs/dbraw/zinc/79/60/64/823796064.db2.gz VJOVIRNOMCJFCK-QHCPKHFHSA-N 1 1 375.516 4.190 20 0 GIADMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2F)ccc1SC ZINC000064344283 823797340 /nfs/dbraw/zinc/79/73/40/823797340.db2.gz MDDZUHJXFWBPLM-GFCCVEGCSA-N 1 1 380.460 4.154 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2F)ccc1SC ZINC000064344283 823797343 /nfs/dbraw/zinc/79/73/43/823797343.db2.gz MDDZUHJXFWBPLM-GFCCVEGCSA-N 1 1 380.460 4.154 20 0 GIADMO CC[N@@H+](C[C@@H](O)COCc1ccc(OC)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349268 823798711 /nfs/dbraw/zinc/79/87/11/823798711.db2.gz GCNYZETUKDYEKH-YLJYHZDGSA-N 1 1 383.488 4.402 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1c(C)nn(C)c1C ZINC000164377470 823798799 /nfs/dbraw/zinc/79/87/99/823798799.db2.gz CQDBNCIODYYRDF-IFMALSPDSA-N 1 1 376.504 4.458 20 0 GIADMO CC[C@H]([NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1c(C)nn(C)c1C ZINC000164377350 823798835 /nfs/dbraw/zinc/79/88/35/823798835.db2.gz CQDBNCIODYYRDF-RBBKRZOGSA-N 1 1 376.504 4.458 20 0 GIADMO O=C(NN=C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc2cccnc21 ZINC000064366468 823801547 /nfs/dbraw/zinc/80/15/47/823801547.db2.gz IQRDAQBMXHELNZ-UHFFFAOYSA-N 1 1 392.890 4.270 20 0 GIADMO O=C(Nc1ccc(OCC2CCCCC2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000462030309 823802726 /nfs/dbraw/zinc/80/27/26/823802726.db2.gz AMBKSUFDLMLWSH-UHFFFAOYSA-N 1 1 383.492 4.482 20 0 GIADMO CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H]1CCCc2ccccc21 ZINC000574699578 823803779 /nfs/dbraw/zinc/80/37/79/823803779.db2.gz MXAMUUWFVLGMER-SFHVURJKSA-N 1 1 382.414 4.355 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC(c2cccc3ccccc32)CC1 ZINC000462034484 823804979 /nfs/dbraw/zinc/80/49/79/823804979.db2.gz RIELZUUOTRMFIH-UHFFFAOYSA-N 1 1 389.499 4.443 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)CC1 ZINC000064381666 823805531 /nfs/dbraw/zinc/80/55/31/823805531.db2.gz RHCIZSRIWRHDLH-UHFFFAOYSA-N 1 1 375.900 4.187 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1)c1nnnn1-c1ccccc1 ZINC000574711505 823806045 /nfs/dbraw/zinc/80/60/45/823806045.db2.gz BDHQXYGREZLQRU-MRXNPFEDSA-N 1 1 389.434 4.445 20 0 GIADMO C[C@H](C[NH2+][C@H](C)c1ccc(-c2c(F)cccc2F)cc1)CN1CCN(C)CC1 ZINC000574728365 823811732 /nfs/dbraw/zinc/81/17/32/823811732.db2.gz NJKRREFLVOQBOG-QZTJIDSGSA-N 1 1 387.518 4.166 20 0 GIADMO Cc1ccc(Nc2nn(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c(=S)s2)cc1 ZINC000164688806 823816106 /nfs/dbraw/zinc/81/61/06/823816106.db2.gz FBMXFZJXMMCJIX-NVXWUHKLSA-N 1 1 389.594 4.100 20 0 GIADMO Cc1ccc(Nc2nn(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c(=S)s2)cc1 ZINC000164688934 823816191 /nfs/dbraw/zinc/81/61/91/823816191.db2.gz FBMXFZJXMMCJIX-WBVHZDCISA-N 1 1 389.594 4.100 20 0 GIADMO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)cc1 ZINC000126281306 823828837 /nfs/dbraw/zinc/82/88/37/823828837.db2.gz NNLPQSPKBGKBFK-AOMKIAJQSA-N 1 1 380.488 4.094 20 0 GIADMO C[C@@H](c1nnnn1C1CC1)[N@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000191981446 823830835 /nfs/dbraw/zinc/83/08/35/823830835.db2.gz BYOZQKYPHHVLTB-INIZCTEOSA-N 1 1 380.496 4.069 20 0 GIADMO C[C@@H](c1nnnn1C1CC1)[N@@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000191981446 823830837 /nfs/dbraw/zinc/83/08/37/823830837.db2.gz BYOZQKYPHHVLTB-INIZCTEOSA-N 1 1 380.496 4.069 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000064496647 823831367 /nfs/dbraw/zinc/83/13/67/823831367.db2.gz AKJYHSLABTVKBO-OALUTQOASA-N 1 1 393.369 4.131 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)CC(F)(F)F ZINC000413753008 823834053 /nfs/dbraw/zinc/83/40/53/823834053.db2.gz XDXWQVKMHQWWRB-AEFFLSMTSA-N 1 1 385.474 4.129 20 0 GIADMO COc1ccccc1C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521168 823834756 /nfs/dbraw/zinc/83/47/56/823834756.db2.gz SHOAYCABSJTSDK-QGZVFWFLSA-N 1 1 386.561 4.063 20 0 GIADMO O=C(CCOc1ccc(Cl)cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521381 823835128 /nfs/dbraw/zinc/83/51/28/823835128.db2.gz IQJDTWDHZINFEN-INIZCTEOSA-N 1 1 392.952 4.199 20 0 GIADMO Cc1cccc(C)c1OCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521500 823835341 /nfs/dbraw/zinc/83/53/41/823835341.db2.gz SGEYETBRSTXUGS-IBGZPJMESA-N 1 1 386.561 4.162 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000192036109 823839485 /nfs/dbraw/zinc/83/94/85/823839485.db2.gz ASOHKTRTDKSTJT-UHFFFAOYSA-N 1 1 396.516 4.090 20 0 GIADMO C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc(Br)c1 ZINC000462132399 823839800 /nfs/dbraw/zinc/83/98/00/823839800.db2.gz VGKAMPNVXXOPEI-HNNXBMFYSA-N 1 1 379.342 4.030 20 0 GIADMO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)o1 ZINC000165238797 823840865 /nfs/dbraw/zinc/84/08/65/823840865.db2.gz CGZLJEPAPPBXRC-OXQOHEQNSA-N 1 1 383.492 4.193 20 0 GIADMO C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462136491 823841046 /nfs/dbraw/zinc/84/10/46/823841046.db2.gz CNDGFSYVVQLQCA-NFAWXSAZSA-N 1 1 385.321 4.023 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000462138957 823841850 /nfs/dbraw/zinc/84/18/50/823841850.db2.gz XLYWDWYZRYPGDB-ZDUSSCGKSA-N 1 1 396.304 4.183 20 0 GIADMO O=C(Nc1ccc(COCc2ccccc2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000462141317 823842290 /nfs/dbraw/zinc/84/22/90/823842290.db2.gz PBBFBALVAKNNES-UHFFFAOYSA-N 1 1 391.471 4.240 20 0 GIADMO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)o1 ZINC000165294817 823842659 /nfs/dbraw/zinc/84/26/59/823842659.db2.gz WUURUNZVYODCBB-JXFKEZNVSA-N 1 1 383.492 4.134 20 0 GIADMO COCc1cc([C@@H](C)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324739 823843359 /nfs/dbraw/zinc/84/33/59/823843359.db2.gz ZNQFBVCIPIZPSW-CTNGQTDRSA-N 1 1 382.548 4.057 20 0 GIADMO COCc1cc([C@@H](C)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324739 823843367 /nfs/dbraw/zinc/84/33/67/823843367.db2.gz ZNQFBVCIPIZPSW-CTNGQTDRSA-N 1 1 382.548 4.057 20 0 GIADMO COc1ccc(Cl)c(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000064560604 823843928 /nfs/dbraw/zinc/84/39/28/823843928.db2.gz RYVOSLADSCIESA-UHFFFAOYSA-N 1 1 387.911 4.307 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)n2)ccc1F ZINC000192055875 823845396 /nfs/dbraw/zinc/84/53/96/823845396.db2.gz QQUAOVFMACBBNV-IEBWSBKVSA-N 1 1 387.842 4.457 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000462161597 823849605 /nfs/dbraw/zinc/84/96/05/823849605.db2.gz YMTVURCILCSSGP-JPYJTQIMSA-N 1 1 387.483 4.124 20 0 GIADMO C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000462165746 823850588 /nfs/dbraw/zinc/85/05/88/823850588.db2.gz CKCTYLMJEIICGA-HNNXBMFYSA-N 1 1 383.458 4.426 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c[nH]c4cc(F)ccc34)C2)s1 ZINC000574882604 823850985 /nfs/dbraw/zinc/85/09/85/823850985.db2.gz QZVLPQQEKGSVJC-OAHLLOKOSA-N 1 1 385.508 4.271 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000574890815 823853120 /nfs/dbraw/zinc/85/31/20/823853120.db2.gz WOQHXJQBCFXKBM-RXVVDRJESA-N 1 1 382.552 4.195 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000462172898 823853641 /nfs/dbraw/zinc/85/36/41/823853641.db2.gz ZHYBZGZDAXWLTK-VABKMULXSA-N 1 1 399.579 4.251 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000462175365 823854515 /nfs/dbraw/zinc/85/45/15/823854515.db2.gz KVLVCMAAFXKBEL-QVKFZJNVSA-N 1 1 381.907 4.001 20 0 GIADMO COc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1-c1ccccn1 ZINC000165615412 823855301 /nfs/dbraw/zinc/85/53/01/823855301.db2.gz NAUUEERNSFOREM-FQEVSTJZSA-N 1 1 399.494 4.382 20 0 GIADMO O=C(NCc1cccc(Cl)c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064643828 823856152 /nfs/dbraw/zinc/85/61/52/823856152.db2.gz RNYWAPLTONYYHL-INIZCTEOSA-N 1 1 377.941 4.113 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000462182678 823858248 /nfs/dbraw/zinc/85/82/48/823858248.db2.gz WBBCLRPTYFUJLN-ZDUSSCGKSA-N 1 1 397.466 4.207 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000462182678 823858253 /nfs/dbraw/zinc/85/82/53/823858253.db2.gz WBBCLRPTYFUJLN-ZDUSSCGKSA-N 1 1 397.466 4.207 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462183220 823858726 /nfs/dbraw/zinc/85/87/26/823858726.db2.gz BJBCQLJNRUGLCR-CQSZACIVSA-N 1 1 395.425 4.164 20 0 GIADMO C[C@@H](CCNC(=O)c1cc(C[NH+]2CCCC2)on1)c1cccc(C(F)(F)F)c1 ZINC000462185295 823859247 /nfs/dbraw/zinc/85/92/47/823859247.db2.gz HZUWFCGRILGXPK-AWEZNQCLSA-N 1 1 395.425 4.213 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000413889258 823859959 /nfs/dbraw/zinc/85/99/59/823859959.db2.gz MYRCZJVIQNZALV-UGKGYDQZSA-N 1 1 394.563 4.054 20 0 GIADMO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(Br)s1 ZINC000462194529 823864193 /nfs/dbraw/zinc/86/41/93/823864193.db2.gz ILEWXTGMTXNYOK-MLGOLLRUSA-N 1 1 393.350 4.069 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1COC(C)(C)C ZINC000462196657 823865279 /nfs/dbraw/zinc/86/52/79/823865279.db2.gz QXSLLSSRKCFEIU-AVRDEDQJSA-N 1 1 380.532 4.252 20 0 GIADMO c1nc(-c2ccncc2)sc1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000574944581 823867764 /nfs/dbraw/zinc/86/77/64/823867764.db2.gz VWCIFSQNQBCKNV-UHFFFAOYSA-N 1 1 387.512 4.240 20 0 GIADMO c1nc(-c2ccncc2)sc1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000574944581 823867773 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JXJXGAVNNHUTNM-IYBDPMFKSA-N 1 1 384.936 4.221 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)nc1 ZINC001164888194 721467213 /nfs/dbraw/zinc/46/72/13/721467213.db2.gz FDQYJQNXWJNIIQ-BDTNDASRSA-N 1 1 398.595 4.102 20 0 GIADMO Cc1nc(Cl)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1C ZINC001164792237 721496115 /nfs/dbraw/zinc/49/61/15/721496115.db2.gz LBDMPYJPXOJMOT-UHFFFAOYSA-N 1 1 385.943 4.023 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)c3ccoc31)CC2 ZINC001164796287 721497824 /nfs/dbraw/zinc/49/78/24/721497824.db2.gz PFUVTJOWEXMKJU-UHFFFAOYSA-N 1 1 397.910 4.152 20 0 GIADMO CC(C)COc1cccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796957 721498865 /nfs/dbraw/zinc/49/88/65/721498865.db2.gz ZYOBXZWVCSAGIJ-UHFFFAOYSA-N 1 1 394.563 4.392 20 0 GIADMO CSCc1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796205 721503109 /nfs/dbraw/zinc/50/31/09/721503109.db2.gz PTAFPDPZWHMRQO-UHFFFAOYSA-N 1 1 382.577 4.221 20 0 GIADMO Cc1nc2ccccc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908849 721748978 /nfs/dbraw/zinc/74/89/78/721748978.db2.gz MBQHANMGAXGYMH-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1nc2ccccc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908849 721748985 /nfs/dbraw/zinc/74/89/85/721748985.db2.gz MBQHANMGAXGYMH-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1nc2sccc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028858 721798685 /nfs/dbraw/zinc/79/86/85/721798685.db2.gz ZYRFNGZBVWBEMK-DBVUQKKJSA-N 1 1 393.560 4.132 20 0 GIADMO Cc1cccc2ncc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nc12 ZINC001165026412 721809574 /nfs/dbraw/zinc/80/95/74/721809574.db2.gz PWKRXBJBINDMCC-CZTZKLFOSA-N 1 1 387.531 4.070 20 0 GIADMO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc12 ZINC001165027367 721809612 /nfs/dbraw/zinc/80/96/12/721809612.db2.gz UJYWKCYHXZLFCQ-QTGUNEKASA-N 1 1 387.531 4.070 20 0 GIADMO Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ncc2c1 ZINC001165024166 721813950 /nfs/dbraw/zinc/81/39/50/721813950.db2.gz JKIXMDBOTYVIIS-QTGUNEKASA-N 1 1 387.531 4.070 20 0 GIADMO CC(C)COc1cccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027311 721820500 /nfs/dbraw/zinc/82/05/00/721820500.db2.gz UHDMOCNJIVDXAJ-ILWGZMRPSA-N 1 1 394.563 4.248 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccncc4)cn3)C[C@H]21 ZINC001165023171 721822613 /nfs/dbraw/zinc/82/26/13/721822613.db2.gz HXULKUQBXKLULK-QPTUXGOLSA-N 1 1 399.542 4.276 20 0 GIADMO Cc1cc2c(ccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)o1 ZINC001165024038 721826239 /nfs/dbraw/zinc/82/62/39/721826239.db2.gz JJWSVXGUXSSPKJ-WMQCIHAUSA-N 1 1 376.504 4.268 20 0 GIADMO CSCc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027010 721828808 /nfs/dbraw/zinc/82/88/08/721828808.db2.gz QSTZRGFWYFCULN-TYPHKJRUSA-N 1 1 382.577 4.077 20 0 GIADMO CCSc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165021407 721829406 /nfs/dbraw/zinc/82/94/06/721829406.db2.gz FIFFIDWLQDWICF-YYWHXJBOSA-N 1 1 382.577 4.326 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)ccc4Cl)CC3)C2)cc1 ZINC001164939765 721922748 /nfs/dbraw/zinc/92/27/48/721922748.db2.gz MUZSSAAEIBBPCD-UHFFFAOYSA-N 1 1 385.939 4.223 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)ccc4F)CC3)C2)cc1 ZINC001164938972 721923094 /nfs/dbraw/zinc/92/30/94/721923094.db2.gz FEKKEVIZQCDJNI-UHFFFAOYSA-N 1 1 389.902 4.054 20 0 GIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCn3cccc3C2)n1 ZINC001165052069 721991757 /nfs/dbraw/zinc/99/17/57/721991757.db2.gz QYYSTYKBVPGBRH-UHFFFAOYSA-N 1 1 389.528 4.242 20 0 GIADMO FC(F)(c1ccc(Cl)nc1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164954654 722012282 /nfs/dbraw/zinc/01/22/82/722012282.db2.gz NUHHBJKVBMOSAA-UHFFFAOYSA-N 1 1 392.881 4.167 20 0 GIADMO CC(C)(c1ccnc(Cl)c1)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164958043 722025108 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20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000570499034 823046980 /nfs/dbraw/zinc/04/69/80/823046980.db2.gz HQHQRTXFFUXCKV-UHFFFAOYSA-N 1 1 386.584 4.100 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC(C(F)F)CC1 ZINC000458509483 823048862 /nfs/dbraw/zinc/04/88/62/823048862.db2.gz PLYNOJMJZDSJBJ-JYPHPWERSA-N 1 1 379.495 4.020 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175827680 823049472 /nfs/dbraw/zinc/04/94/72/823049472.db2.gz RWTFAJFMWBFEFH-OALUTQOASA-N 1 1 386.561 4.400 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175827680 823049476 /nfs/dbraw/zinc/04/94/76/823049476.db2.gz RWTFAJFMWBFEFH-OALUTQOASA-N 1 1 386.561 4.400 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC[C@H]2CCCO2)c1 ZINC000570525333 823049939 /nfs/dbraw/zinc/04/99/39/823049939.db2.gz LNEJBDQFCIHBAC-NHCUHLMSSA-N 1 1 394.515 4.013 20 0 GIADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1c(C)oc2ccccc21 ZINC000187364985 823050288 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4.161 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000458539148 823052720 /nfs/dbraw/zinc/05/27/20/823052720.db2.gz JFVOWRVBUOVKKM-OAQYLSRUSA-N 1 1 389.584 4.001 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000175843167 823052831 /nfs/dbraw/zinc/05/28/31/823052831.db2.gz ZXEFQQWQMRVNRP-BBRMVZONSA-N 1 1 398.450 4.294 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000175843167 823052836 /nfs/dbraw/zinc/05/28/36/823052836.db2.gz ZXEFQQWQMRVNRP-BBRMVZONSA-N 1 1 398.450 4.294 20 0 GIADMO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cccs3)n2)cc1 ZINC000175845666 823053448 /nfs/dbraw/zinc/05/34/48/823053448.db2.gz LYRARAMPQGKOKZ-WMZOPIPTSA-N 1 1 399.516 4.285 20 0 GIADMO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H]3C[C@H](O)c3cccs3)n2)cc1 ZINC000175845666 823053453 /nfs/dbraw/zinc/05/34/53/823053453.db2.gz LYRARAMPQGKOKZ-WMZOPIPTSA-N 1 1 399.516 4.285 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](OCC)[C@@H](C)C2)c1 ZINC000458545752 823053755 /nfs/dbraw/zinc/05/37/55/823053755.db2.gz PMKKLEWNYHEQHW-SIKLNZKXSA-N 1 1 389.584 4.265 20 0 GIADMO O=C(c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1)N1CCCC1 ZINC000175850091 823055441 /nfs/dbraw/zinc/05/54/41/823055441.db2.gz FMJYJZHERYYXJD-PMACEKPBSA-N 1 1 384.545 4.072 20 0 GIADMO COc1ccccc1CSc1ccccc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000120743493 823055636 /nfs/dbraw/zinc/05/56/36/823055636.db2.gz ZYQDWCXBAXDAQT-UHFFFAOYSA-N 1 1 397.544 4.299 20 0 GIADMO O=C(C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1)NCc1ccc(F)cc1 ZINC000570567111 823055671 /nfs/dbraw/zinc/05/56/71/823055671.db2.gz RCPFYWRQNVOSIK-TZIWHRDSSA-N 1 1 388.527 4.036 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)Nc1cccnc1Cl ZINC000175857255 823056558 /nfs/dbraw/zinc/05/65/58/823056558.db2.gz YYHGWGIEPVJLOO-HOCLYGCPSA-N 1 1 393.940 4.103 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)Nc1cccnc1Cl ZINC000175857255 823056564 /nfs/dbraw/zinc/05/65/64/823056564.db2.gz YYHGWGIEPVJLOO-HOCLYGCPSA-N 1 1 393.940 4.103 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(F)cc1F ZINC000175858040 823056955 /nfs/dbraw/zinc/05/69/55/823056955.db2.gz JOFRZKHEGUIWJN-YJBOKZPZSA-N 1 1 394.487 4.333 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(F)cc1F ZINC000175858040 823056962 /nfs/dbraw/zinc/05/69/62/823056962.db2.gz JOFRZKHEGUIWJN-YJBOKZPZSA-N 1 1 394.487 4.333 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175860658 823057591 /nfs/dbraw/zinc/05/75/91/823057591.db2.gz UITGSVWUVMZNII-UXHICEINSA-N 1 1 386.561 4.318 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)CC2)[nH+]c1 ZINC000175861013 823057630 /nfs/dbraw/zinc/05/76/30/823057630.db2.gz RCAQPCNFFMCYDQ-CQSZACIVSA-N 1 1 390.890 4.212 20 0 GIADMO FC(F)Oc1c(Br)cccc1C[NH2+][C@H]1COCc2ccccc21 ZINC000570587467 823058159 /nfs/dbraw/zinc/05/81/59/823058159.db2.gz HFYHMGMFPNJSAB-HNNXBMFYSA-N 1 1 384.220 4.412 20 0 GIADMO CC(C)c1nc2cc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000570599928 823060124 /nfs/dbraw/zinc/06/01/24/823060124.db2.gz GTCHJOLJLRIVJP-UHFFFAOYSA-N 1 1 378.476 4.301 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)C1 ZINC000458590036 823060177 /nfs/dbraw/zinc/06/01/77/823060177.db2.gz XBUPRNBBMQWLSP-HZMVEIRTSA-N 1 1 377.495 4.115 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)C1 ZINC000458590038 823060349 /nfs/dbraw/zinc/06/03/49/823060349.db2.gz XBUPRNBBMQWLSP-YLFCFFPRSA-N 1 1 377.495 4.115 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000120778330 823062221 /nfs/dbraw/zinc/06/22/21/823062221.db2.gz HZYFTEADSDBKAP-SFHVURJKSA-N 1 1 379.479 4.291 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1nc(C(F)(F)F)cs1 ZINC000570622688 823063612 /nfs/dbraw/zinc/06/36/12/823063612.db2.gz CRIAQUSKIOYLBT-IUODEOHRSA-N 1 1 396.434 4.406 20 0 GIADMO O=C(CC[NH2+]C1CCN(C2CCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000570626330 823064113 /nfs/dbraw/zinc/06/41/13/823064113.db2.gz 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C[C@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458641874 823068531 /nfs/dbraw/zinc/06/85/31/823068531.db2.gz WCLUSUFFOJALOZ-RDJZCZTQSA-N 1 1 375.944 4.102 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c(F)cc(Br)cc1F ZINC000120815470 823069695 /nfs/dbraw/zinc/06/96/95/823069695.db2.gz PRYPBAIIUAHPEG-LBPRGKRZSA-N 1 1 389.284 4.112 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CC[C@H]1C1CC1 ZINC000458650552 823069906 /nfs/dbraw/zinc/06/99/06/823069906.db2.gz MJLLVMNXXRNHLF-SFHVURJKSA-N 1 1 382.335 4.152 20 0 GIADMO C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1ccc(F)cc1F ZINC000570691973 823072588 /nfs/dbraw/zinc/07/25/88/823072588.db2.gz YRNPGODZYCVYAC-LERXQTSPSA-N 1 1 378.385 4.051 20 0 GIADMO C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(OCC(F)(F)F)cc1 ZINC000175922428 823073543 /nfs/dbraw/zinc/07/35/43/823073543.db2.gz WMJICIAQZIPVBU-LNRIEFBSSA-N 1 1 399.457 4.003 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000120836626 823073791 /nfs/dbraw/zinc/07/37/91/823073791.db2.gz XRXHHFYBIZVRHY-WJXFIBLPSA-N 1 1 392.543 4.168 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000187488882 823073995 /nfs/dbraw/zinc/07/39/95/823073995.db2.gz IWAHIFBVQZLHCJ-INIZCTEOSA-N 1 1 391.313 4.385 20 0 GIADMO CN(C)Cc1cc(C[NH2+][C@H]2CCc3cc(Br)ccc32)ccc1F ZINC000120844464 823075263 /nfs/dbraw/zinc/07/52/63/823075263.db2.gz IAPISJJMSPMASE-IBGZPJMESA-N 1 1 377.301 4.427 20 0 GIADMO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc1 ZINC000056012325 823078621 /nfs/dbraw/zinc/07/86/21/823078621.db2.gz FWOFXXTXXGFFAP-INIZCTEOSA-N 1 1 375.472 4.155 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc1 ZINC000056012325 823078626 /nfs/dbraw/zinc/07/86/26/823078626.db2.gz FWOFXXTXXGFFAP-INIZCTEOSA-N 1 1 375.472 4.155 20 0 GIADMO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(=O)c4ccccc4[nH]3)cc2)C1 ZINC000056015094 823079218 /nfs/dbraw/zinc/07/92/18/823079218.db2.gz PCDIGQWKXCMRBH-INIZCTEOSA-N 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CSc1ccc(Cl)c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000056039504 823080975 /nfs/dbraw/zinc/08/09/75/823080975.db2.gz NBJGANHIUVGFKI-UHFFFAOYSA-N 1 1 390.936 4.189 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Br ZINC000187528373 823082330 /nfs/dbraw/zinc/08/23/30/823082330.db2.gz AMCVBTKASZGFLM-PBHICJAKSA-N 1 1 380.330 4.014 20 0 GIADMO O=C(c1ccc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1)N1CCCC1 ZINC000175960593 823082767 /nfs/dbraw/zinc/08/27/67/823082767.db2.gz RCBJLUGPTUSJTA-DEOSSOPVSA-N 1 1 392.543 4.146 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC000458767365 823083155 /nfs/dbraw/zinc/08/31/55/823083155.db2.gz QGPCBBYINXCCQQ-INIZCTEOSA-N 1 1 392.956 4.088 20 0 GIADMO CC(C)[C@@H]1C[C@@H]1C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000187536919 823084654 /nfs/dbraw/zinc/08/46/54/823084654.db2.gz BVAFFESJQNROAV-QYZOEREBSA-N 1 1 382.470 4.192 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)NCCCn2cc[nH+]c2C)cs1 ZINC000056122916 823085523 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4.085 20 0 GIADMO COc1cc(C[NH2+][C@H](C)CN2CCCCCC2)ccc1OCc1ccncc1 ZINC000187568832 823090123 /nfs/dbraw/zinc/09/01/23/823090123.db2.gz FLRVBWHDXFEMIJ-LJQANCHMSA-N 1 1 383.536 4.023 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000176001655 823092451 /nfs/dbraw/zinc/09/24/51/823092451.db2.gz KUQHOBHIIDAFER-UHFFFAOYSA-N 1 1 398.894 4.166 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)on1 ZINC000570812847 823090625 /nfs/dbraw/zinc/09/06/25/823090625.db2.gz KKDGWFYCKSIBEB-QGZVFWFLSA-N 1 1 388.471 4.226 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000458816154 823090966 /nfs/dbraw/zinc/09/09/66/823090966.db2.gz IMKPREYVMBMTKT-NXHRZFHOSA-N 1 1 385.474 4.094 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000120948401 823091349 /nfs/dbraw/zinc/09/13/49/823091349.db2.gz VCTWBVDTGAEDHJ-NRFANRHFSA-N 1 1 380.467 4.200 20 0 GIADMO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000175997076 823091553 /nfs/dbraw/zinc/09/15/53/823091553.db2.gz MLXXQNYBPQTMRJ-UHFFFAOYSA-N 1 1 397.482 4.038 20 0 GIADMO CC[C@@]1(CO)CCC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000187584208 823093014 /nfs/dbraw/zinc/09/30/14/823093014.db2.gz ACAGHURIASXPOU-NZQKXSOJSA-N 1 1 377.488 4.311 20 0 GIADMO CCOc1cccc([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000570833750 823093382 /nfs/dbraw/zinc/09/33/82/823093382.db2.gz CTGNCUGIYOTPIH-KBRIMQKVSA-N 1 1 386.458 4.171 20 0 GIADMO Cc1nnc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1C1CC1 ZINC000120961553 823093577 /nfs/dbraw/zinc/09/35/77/823093577.db2.gz LQOUDOOKOVCOTN-AWEZNQCLSA-N 1 1 393.466 4.164 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000056168323 823094871 /nfs/dbraw/zinc/09/48/71/823094871.db2.gz NHWIQPVEFAPLHN-JSGCOSHPSA-N 1 1 379.323 4.076 20 0 GIADMO CC(C)N(Cc1cccnc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000120975645 823095800 /nfs/dbraw/zinc/09/58/00/823095800.db2.gz BVUSXSODXNSJAD-VQTJNVASSA-N 1 1 386.927 4.100 20 0 GIADMO CC(C)N(Cc1cccnc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000120975645 823095806 /nfs/dbraw/zinc/09/58/06/823095806.db2.gz BVUSXSODXNSJAD-VQTJNVASSA-N 1 1 386.927 4.100 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1OC ZINC000056182183 823097451 /nfs/dbraw/zinc/09/74/51/823097451.db2.gz LFHCFADQQQXMPR-VGSWGCGISA-N 1 1 382.504 4.108 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000120998493 823099878 /nfs/dbraw/zinc/09/98/78/823099878.db2.gz JUKJUUMCNWGUNV-QGZVFWFLSA-N 1 1 396.922 4.486 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000187625953 823100236 /nfs/dbraw/zinc/10/02/36/823100236.db2.gz FIMJYZNMJPKCRB-CQSZACIVSA-N 1 1 397.363 4.044 20 0 GIADMO CC[C@]1(CO)CCC[N@H+]([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)C1 ZINC000187640846 823103288 /nfs/dbraw/zinc/10/32/88/823103288.db2.gz VQBFBYRYMGLPOR-UPVQGACJSA-N 1 1 380.532 4.468 20 0 GIADMO C[N@H+]1CC[C@H](CSc2nnc(Cc3cccs3)n2CCc2ccccc2)C1 ZINC000187649475 823104888 /nfs/dbraw/zinc/10/48/88/823104888.db2.gz JNHBHRDOGHHHAD-SFHVURJKSA-N 1 1 398.601 4.217 20 0 GIADMO [NH3+][C@H](CCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1 ZINC000570924145 823108014 /nfs/dbraw/zinc/10/80/14/823108014.db2.gz XARBAOYZGNHUJS-NHCUHLMSSA-N 1 1 385.939 4.073 20 0 GIADMO COc1ccc(CC2CC[NH+]([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000187668951 823109633 /nfs/dbraw/zinc/10/96/33/823109633.db2.gz WDQZCJTYJNEMDA-KRWDZBQOSA-N 1 1 387.545 4.114 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000121054134 823109966 /nfs/dbraw/zinc/10/99/66/823109966.db2.gz VHUGQFPLTCWKBL-UHFFFAOYSA-N 1 1 398.457 4.291 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000570950966 823111335 /nfs/dbraw/zinc/11/13/35/823111335.db2.gz PCRZUKSAJAZEDQ-TUACAJSNSA-N 1 1 386.495 4.149 20 0 GIADMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H](C)C1 ZINC000570954506 823111820 /nfs/dbraw/zinc/11/18/20/823111820.db2.gz OSXXKFZQPHRPOY-HWWQOWPSSA-N 1 1 380.319 4.277 20 0 GIADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000458976041 823112266 /nfs/dbraw/zinc/11/22/66/823112266.db2.gz BDJRLLBLNIQOID-MGPUTAFESA-N 1 1 393.934 4.304 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176070574 823112289 /nfs/dbraw/zinc/11/22/89/823112289.db2.gz ZVKUDOQIPAWQCP-CYBMUJFWSA-N 1 1 380.319 4.373 20 0 GIADMO C[C@@H](c1cccc(O)c1)N(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458981336 823112876 /nfs/dbraw/zinc/11/28/76/823112876.db2.gz UCHVZCLPLCTCGK-SFHVURJKSA-N 1 1 381.520 4.149 20 0 GIADMO CCOc1ccc(Oc2cc(C[NH2+]Cc3c(C)nn(C)c3Cl)ccn2)cc1 ZINC000121074386 823113452 /nfs/dbraw/zinc/11/34/52/823113452.db2.gz KTPGFMQURORVBV-UHFFFAOYSA-N 1 1 386.883 4.258 20 0 GIADMO C[C@H](C[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1)CN1CCN(C)CC1 ZINC000121080163 823114913 /nfs/dbraw/zinc/11/49/13/823114913.db2.gz IAPTXXOYACFKJD-MOPGFXCFSA-N 1 1 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COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC(C)C ZINC000176103520 823121637 /nfs/dbraw/zinc/12/16/37/823121637.db2.gz GCBFQXVKASIRBO-GHTZIAJQSA-N 1 1 396.531 4.265 20 0 GIADMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC(C)C ZINC000176103534 823121723 /nfs/dbraw/zinc/12/17/23/823121723.db2.gz GCBFQXVKASIRBO-NQIIRXRSSA-N 1 1 396.531 4.265 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)c2cc(F)c(F)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176112957 823124511 /nfs/dbraw/zinc/12/45/11/823124511.db2.gz AVJSONFVCSRHMJ-ZFWWWQNUSA-N 1 1 378.850 4.401 20 0 GIADMO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000459070433 823123628 /nfs/dbraw/zinc/12/36/28/823123628.db2.gz YBFSIOLNULCJRF-VTHDOGFWSA-N 1 1 375.532 4.050 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)C3(Cc4ccccc4Cl)CC3)CC2)[nH+]1 ZINC000187743197 823123701 /nfs/dbraw/zinc/12/37/01/823123701.db2.gz PNCMWUMXGPGPJD-UHFFFAOYSA-N 1 1 383.923 4.151 20 0 GIADMO Cc1coc(-c2ccc(C)c(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c2)n1 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BXBHPPUMZCUHHY-OAQYLSRUSA-N 1 1 380.532 4.381 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC000571120528 823135461 /nfs/dbraw/zinc/13/54/61/823135461.db2.gz RBQLWNSWDFNFHX-JXHRLWIKSA-N 1 1 393.531 4.062 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(F)cc3OC3CCCC3)CC[C@@H]21 ZINC000121179375 823133318 /nfs/dbraw/zinc/13/33/18/823133318.db2.gz HUPWVWMIJVMIKS-BEFAXECRSA-N 1 1 375.488 4.095 20 0 GIADMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000571112403 823133932 /nfs/dbraw/zinc/13/39/32/823133932.db2.gz XSQUBOQDOFWXHQ-CQSZACIVSA-N 1 1 398.334 4.367 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc(OC)c(OC)cc1SC)C2 ZINC000571131746 823138087 /nfs/dbraw/zinc/13/80/87/823138087.db2.gz HZJFNMHFDLKZNV-UHFFFAOYSA-N 1 1 385.529 4.482 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc(OC)c(OC)cc1SC)C2 ZINC000571131746 823138092 /nfs/dbraw/zinc/13/80/92/823138092.db2.gz HZJFNMHFDLKZNV-UHFFFAOYSA-N 1 1 385.529 4.482 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc4cccnc4s3)c2)C[C@H](C)O1 ZINC000571154674 823141629 /nfs/dbraw/zinc/14/16/29/823141629.db2.gz DYARIKSVPJBORL-GJZGRUSLSA-N 1 1 381.501 4.158 20 0 GIADMO COc1cc(C[N@@H+](Cc2ccccc2NC(C)=O)C2CC2)ccc1OC(F)F ZINC000121224273 823141941 /nfs/dbraw/zinc/14/19/41/823141941.db2.gz SEFPJUVSSWRQBH-UHFFFAOYSA-N 1 1 390.430 4.420 20 0 GIADMO COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459197565 823142181 /nfs/dbraw/zinc/14/21/81/823142181.db2.gz CQPDAAOBXWMTQB-PZJWPPBQSA-N 1 1 395.547 4.228 20 0 GIADMO Cc1nnc(C[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)n1C1CC1 ZINC000187837001 823143302 /nfs/dbraw/zinc/14/33/02/823143302.db2.gz UXAKIVWTHZAOCJ-UHFFFAOYSA-N 1 1 394.441 4.231 20 0 GIADMO Cc1ncc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000056402011 823144009 /nfs/dbraw/zinc/14/40/09/823144009.db2.gz CLLKDGABFKJCAL-INIZCTEOSA-N 1 1 386.565 4.025 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000176186896 823148077 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GIADMO Cc1cc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc(N2CCCC2)[nH+]1 ZINC000571216986 823150007 /nfs/dbraw/zinc/15/00/07/823150007.db2.gz SQDMDCCYGVBNER-SFHVURJKSA-N 1 1 389.499 4.227 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)C2)s1 ZINC000571217929 823150369 /nfs/dbraw/zinc/15/03/69/823150369.db2.gz RIJWNKMOXXAPJT-AWEZNQCLSA-N 1 1 376.488 4.315 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000459269054 823154107 /nfs/dbraw/zinc/15/41/07/823154107.db2.gz SOJNFZUPKJJHFP-CRAIPNDOSA-N 1 1 394.357 4.028 20 0 GIADMO Cc1ccc(CN(Cc2ccco2)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000459266698 823154174 /nfs/dbraw/zinc/15/41/74/823154174.db2.gz QDELQUQCOMRZSV-KRWDZBQOSA-N 1 1 375.538 4.093 20 0 GIADMO Fc1ccc([C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2ncc[nH]2)cc1 ZINC000187902499 823155435 /nfs/dbraw/zinc/15/54/35/823155435.db2.gz CBALEMJOTBJEMR-UZLBHIALSA-N 1 1 384.524 4.202 20 0 GIADMO CC[S@](=O)c1ccccc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000121286165 823155424 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392.613 4.274 20 0 GIADMO CCOc1cc(C[NH+]2CCC(OCC(C)C)CC2)cc(Br)c1O ZINC000459328167 823162125 /nfs/dbraw/zinc/16/21/25/823162125.db2.gz OQLKPUTZIBVEOH-UHFFFAOYSA-N 1 1 386.330 4.190 20 0 GIADMO CCOc1cc(C[N@@H+](CCc2nccs2)C(C)C)cc(Br)c1O ZINC000459333377 823163287 /nfs/dbraw/zinc/16/32/87/823163287.db2.gz AYPPHQHJFPUCRL-UHFFFAOYSA-N 1 1 399.354 4.463 20 0 GIADMO CN1CCC([NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000121325438 823163506 /nfs/dbraw/zinc/16/35/06/823163506.db2.gz UUAJIOCUABFDHE-IBGZPJMESA-N 1 1 377.301 4.361 20 0 GIADMO Cc1coc2ccc(NC(=O)N3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc12 ZINC000187959053 823163833 /nfs/dbraw/zinc/16/38/33/823163833.db2.gz TZAAMLLHIDAJIX-HDICACEKSA-N 1 1 399.535 4.484 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)cc(Cl)c1O ZINC000459338505 823164525 /nfs/dbraw/zinc/16/45/25/823164525.db2.gz KMBQQELRHZRNHY-ZDUSSCGKSA-N 1 1 394.865 4.150 20 0 GIADMO COc1cccc2c(N3CCC(NC(=O)c4ccccc4C)CC3)cc(C)[nH+]c12 ZINC000121331971 823164722 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GIADMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000571366947 823172190 /nfs/dbraw/zinc/17/21/90/823172190.db2.gz XFAVWYGOMVWGQN-AWEZNQCLSA-N 1 1 391.537 4.276 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C(C)=O)C2)cc1 ZINC000571372217 823173648 /nfs/dbraw/zinc/17/36/48/823173648.db2.gz ZQWRHRPCSFJJHK-PXNSSMCTSA-N 1 1 394.515 4.180 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C(C)=O)C2)cc1 ZINC000571372217 823173651 /nfs/dbraw/zinc/17/36/51/823173651.db2.gz ZQWRHRPCSFJJHK-PXNSSMCTSA-N 1 1 394.515 4.180 20 0 GIADMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccc(C4CC4)cc3)CC2)cs1 ZINC000459366891 823174098 /nfs/dbraw/zinc/17/40/98/823174098.db2.gz YCVICTDLARULTK-KRWDZBQOSA-N 1 1 385.577 4.436 20 0 GIADMO OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC1CCCC1 ZINC000459366654 823174158 /nfs/dbraw/zinc/17/41/58/823174158.db2.gz CXJWDRZGHXUIGS-RLAPIPATSA-N 1 1 379.491 4.072 20 0 GIADMO COCCOc1ncccc1C[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000459370822 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4.107 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)CCCCC2=O ZINC000571427004 823181329 /nfs/dbraw/zinc/18/13/29/823181329.db2.gz GSCKGOYHROSBTG-KRWDZBQOSA-N 1 1 396.556 4.299 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000459395752 823182462 /nfs/dbraw/zinc/18/24/62/823182462.db2.gz BLTHBAABPPVCGZ-LJQANCHMSA-N 1 1 394.588 4.236 20 0 GIADMO COc1ccc(F)cc1-c1csc(NC(=O)CCn2cc[nH+]c2C(C)C)n1 ZINC000121438169 823184731 /nfs/dbraw/zinc/18/47/31/823184731.db2.gz VKADPUMSKADLAS-UHFFFAOYSA-N 1 1 388.468 4.307 20 0 GIADMO CSc1ccsc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000121443381 823185455 /nfs/dbraw/zinc/18/54/55/823185455.db2.gz BJLIQNJINVAXDI-KBPBESRZSA-N 1 1 376.547 4.332 20 0 GIADMO COc1sc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1Br ZINC000124576079 823607780 /nfs/dbraw/zinc/60/77/80/823607780.db2.gz JJLDSRJFJCVIMR-KRWDZBQOSA-N 1 1 396.350 4.465 20 0 GIADMO CCN(C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000459409231 823186684 /nfs/dbraw/zinc/18/66/84/823186684.db2.gz MWTSQUQLAYNREF-KRWDZBQOSA-N 1 1 383.492 4.147 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)[C@@H](C)C1 ZINC000188119803 823189475 /nfs/dbraw/zinc/18/94/75/823189475.db2.gz ZYPVBFSIRHLNAC-DOTOQJQBSA-N 1 1 375.513 4.168 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3(c4ccccc4F)CC3)c2)C[C@@H](C)O1 ZINC000121502279 823195593 /nfs/dbraw/zinc/19/55/93/823195593.db2.gz PFRIOXJPJSCZNZ-IAGOWNOFSA-N 1 1 382.479 4.105 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3nc(C(C)C)nc32)[C@H]1Sc1ccccc1 ZINC000459439056 823192397 /nfs/dbraw/zinc/19/23/97/823192397.db2.gz VLKKNSKTSWLMKU-FCGDIQPGSA-N 1 1 386.565 4.164 20 0 GIADMO Clc1cccc([C@@H](NC2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)c1 ZINC000459443457 823193039 /nfs/dbraw/zinc/19/30/39/823193039.db2.gz PZMHRLVOIVSMBR-JOCHJYFZSA-N 1 1 378.907 4.478 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[NH2+]Cc2cnc(C3CC3)nc2)on1 ZINC000459455823 823195785 /nfs/dbraw/zinc/19/57/85/823195785.db2.gz GUQIEFNEIMODQB-UHFFFAOYSA-N 1 1 386.455 4.461 20 0 GIADMO C[N@H+](CCc1ccncc1)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000121493684 823194335 /nfs/dbraw/zinc/19/43/35/823194335.db2.gz QUJAZLDJMPJHBP-UHFFFAOYSA-N 1 1 377.513 4.346 20 0 GIADMO C[N@@H+](CCc1ccncc1)CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000121493684 823194339 /nfs/dbraw/zinc/19/43/39/823194339.db2.gz QUJAZLDJMPJHBP-UHFFFAOYSA-N 1 1 377.513 4.346 20 0 GIADMO CCOC(=O)c1noc(C[N@H+](C)[C@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000459449526 823194655 /nfs/dbraw/zinc/19/46/55/823194655.db2.gz SJHFBFPHTWNPRT-KRWDZBQOSA-N 1 1 377.872 4.263 20 0 GIADMO CCOC(=O)c1noc(C[N@@H+](C)[C@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000459449526 823194657 /nfs/dbraw/zinc/19/46/57/823194657.db2.gz SJHFBFPHTWNPRT-KRWDZBQOSA-N 1 1 377.872 4.263 20 0 GIADMO O[C@@H](CNC1CC[NH+](C2CCCC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000571516381 823194919 /nfs/dbraw/zinc/19/49/19/823194919.db2.gz MZMRUEJNDDOFGZ-NRFANRHFSA-N 1 1 391.559 4.152 20 0 GIADMO CC[N@@H+](CCNC(=O)Nc1ccc(Oc2cccnc2)cc1)CCC(F)(F)F ZINC000571479612 823189137 /nfs/dbraw/zinc/18/91/37/823189137.db2.gz QAYQRGVHYPWJNF-UHFFFAOYSA-N 1 1 396.413 4.270 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000571532063 823196735 /nfs/dbraw/zinc/19/67/35/823196735.db2.gz PLWTUIMUDOUXPB-UYAOXDASSA-N 1 1 387.483 4.439 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1)CC(F)(F)F ZINC000176392265 823197093 /nfs/dbraw/zinc/19/70/93/823197093.db2.gz GHEDTIHQSGLMJD-CQSZACIVSA-N 1 1 398.391 4.334 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)[C@H]1SC ZINC000459467497 823198413 /nfs/dbraw/zinc/19/84/13/823198413.db2.gz PXPUNDVPXTUUCL-FYZZASKESA-N 1 1 381.545 4.161 20 0 GIADMO C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1c(F)cncc1F ZINC000571545437 823198680 /nfs/dbraw/zinc/19/86/80/823198680.db2.gz OIIVAMWMKFPNEA-MRXNPFEDSA-N 1 1 395.453 4.483 20 0 GIADMO CC(C)c1cc(Br)ccc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459468348 823198884 /nfs/dbraw/zinc/19/88/84/823198884.db2.gz TVZHSRYJSSGTRB-CQSZACIVSA-N 1 1 382.346 4.426 20 0 GIADMO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176396966 823198925 /nfs/dbraw/zinc/19/89/25/823198925.db2.gz QBSIKIBTTAUQDQ-QGZVFWFLSA-N 1 1 380.492 4.207 20 0 GIADMO Fc1cc(Br)cc([C@@H](CC2CC2)[NH2+]Cc2cn3cccnc3n2)c1 ZINC000188187091 823200329 /nfs/dbraw/zinc/20/03/29/823200329.db2.gz OPSDADDVKUUDBP-QGZVFWFLSA-N 1 1 389.272 4.262 20 0 GIADMO Fc1cc(Br)cc([C@H](CC2CC2)[NH2+]Cc2cn3cccnc3n2)c1 ZINC000188187062 823200479 /nfs/dbraw/zinc/20/04/79/823200479.db2.gz OPSDADDVKUUDBP-KRWDZBQOSA-N 1 1 389.272 4.262 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1)CC(F)(F)F ZINC000176403281 823200815 /nfs/dbraw/zinc/20/08/15/823200815.db2.gz YGVWVLRLEWVKDH-STQMWFEESA-N 1 1 388.459 4.065 20 0 GIADMO CCN(C[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1)CC(F)(F)F ZINC000176403281 823200817 /nfs/dbraw/zinc/20/08/17/823200817.db2.gz YGVWVLRLEWVKDH-STQMWFEESA-N 1 1 388.459 4.065 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c2ncc[nH]2)cc1 ZINC000188201588 823202573 /nfs/dbraw/zinc/20/25/73/823202573.db2.gz FGIDEHHWSHAMMF-SFHVURJKSA-N 1 1 397.841 4.174 20 0 GIADMO O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000571576805 823203378 /nfs/dbraw/zinc/20/33/78/823203378.db2.gz KABHSXCCYZNIRE-MDNUFGMLSA-N 1 1 396.506 4.074 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000459497444 823204514 /nfs/dbraw/zinc/20/45/14/823204514.db2.gz JNIZVIVLFBHGMO-UHFFFAOYSA-N 1 1 385.924 4.412 20 0 GIADMO C[C@H]1C[C@H](NC(=O)C2(c3cccnc3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000571598404 823205465 /nfs/dbraw/zinc/20/54/65/823205465.db2.gz VEKDMZWCJAZWBB-SIKLNZKXSA-N 1 1 377.532 4.063 20 0 GIADMO FC(F)n1c2ccccc2nc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459508137 823207061 /nfs/dbraw/zinc/20/70/61/823207061.db2.gz AWLSNQNFTUCRSS-UHFFFAOYSA-N 1 1 383.442 4.495 20 0 GIADMO COc1c(Cl)cccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000056755712 823207702 /nfs/dbraw/zinc/20/77/02/823207702.db2.gz OBGMXHXETBCEMK-UHFFFAOYSA-N 1 1 387.911 4.397 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000571609274 823208191 /nfs/dbraw/zinc/20/81/91/823208191.db2.gz PZYOYUQBOXHUBV-QIJUGHKUSA-N 1 1 399.579 4.160 20 0 GIADMO O=C1[C@H]([NH+]2CCC3(CC2)OCCc2ccccc23)CCN1c1ccccc1Cl ZINC000459519428 823209679 /nfs/dbraw/zinc/20/96/79/823209679.db2.gz JWXGSUJIJAYXJG-OAQYLSRUSA-N 1 1 396.918 4.009 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000459519636 823210139 /nfs/dbraw/zinc/21/01/39/823210139.db2.gz CXCVSRWHNZJYNJ-FQEVSTJZSA-N 1 1 387.545 4.070 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000459519636 823210141 /nfs/dbraw/zinc/21/01/41/823210141.db2.gz CXCVSRWHNZJYNJ-FQEVSTJZSA-N 1 1 387.545 4.070 20 0 GIADMO COc1cc(NC(=O)CC[N@@H+](C)[C@H](C)Cc2ccsc2)c(OC)cc1Cl ZINC000176451189 823210325 /nfs/dbraw/zinc/21/03/25/823210325.db2.gz DUHQUNOSFWQGRX-CYBMUJFWSA-N 1 1 396.940 4.310 20 0 GIADMO Brc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc2c1OCCCO2 ZINC000188264063 823210925 /nfs/dbraw/zinc/21/09/25/823210925.db2.gz QLBLIOJYILTVNR-KRWDZBQOSA-N 1 1 396.325 4.001 20 0 GIADMO COc1ccc(F)c(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1OC ZINC000188264453 823211168 /nfs/dbraw/zinc/21/11/68/823211168.db2.gz AEMQDGYKQVLUNJ-UHFFFAOYSA-N 1 1 397.450 4.463 20 0 GIADMO C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571630265 823211981 /nfs/dbraw/zinc/21/19/81/823211981.db2.gz KKODJPLXTFSSEW-NEWSRXKRSA-N 1 1 394.544 4.313 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000459530517 823212778 /nfs/dbraw/zinc/21/27/78/823212778.db2.gz LTVUWWLVLUOMFZ-AWEZNQCLSA-N 1 1 379.888 4.197 20 0 GIADMO C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cscn1 ZINC000459530914 823212809 /nfs/dbraw/zinc/21/28/09/823212809.db2.gz ZCMURDMKUMVOJU-KRWDZBQOSA-N 1 1 377.513 4.079 20 0 GIADMO C[C@H]1C[N@H+](C(c2ccccc2)c2ccccc2)CCN1C(=O)c1cscn1 ZINC000459530914 823212811 /nfs/dbraw/zinc/21/28/11/823212811.db2.gz ZCMURDMKUMVOJU-KRWDZBQOSA-N 1 1 377.513 4.079 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000459530524 823212818 /nfs/dbraw/zinc/21/28/18/823212818.db2.gz LTVUWWLVLUOMFZ-CQSZACIVSA-N 1 1 379.888 4.197 20 0 GIADMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nc(COc4ccccc4F)no3)C2)c1 ZINC000188289992 823214714 /nfs/dbraw/zinc/21/47/14/823214714.db2.gz WXXBIIBMDCUAIW-MRXNPFEDSA-N 1 1 385.414 4.306 20 0 GIADMO CN1CCC([N@H+](Cc2ccco2)Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000571665156 823216018 /nfs/dbraw/zinc/21/60/18/823216018.db2.gz UYBQCLSLIIHAGR-UHFFFAOYSA-N 1 1 391.515 4.350 20 0 GIADMO CN1CCC([N@@H+](Cc2ccco2)Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000571665156 823216024 /nfs/dbraw/zinc/21/60/24/823216024.db2.gz UYBQCLSLIIHAGR-UHFFFAOYSA-N 1 1 391.515 4.350 20 0 GIADMO C[C@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cc(Cl)ccc1Cl ZINC000188299885 823216196 /nfs/dbraw/zinc/21/61/96/823216196.db2.gz BYZJLTVHEMXTRS-ZDUSSCGKSA-N 1 1 395.334 4.452 20 0 GIADMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+](C)CCc1ccccn1)c1ccccc1 ZINC000121625675 823218312 /nfs/dbraw/zinc/21/83/12/823218312.db2.gz CUEUOMSUVNGRIC-UKILVPOCSA-N 1 1 390.527 4.031 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2cc(C)ccc2C)cc1F ZINC000409455800 823222984 /nfs/dbraw/zinc/22/29/84/823222984.db2.gz HIQALDKKPNXVQT-UHFFFAOYSA-N 1 1 383.492 4.345 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559551 823220192 /nfs/dbraw/zinc/22/01/92/823220192.db2.gz KSBOIFDXIGPYCX-ZUOKHONESA-N 1 1 391.512 4.459 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559551 823220199 /nfs/dbraw/zinc/22/01/99/823220199.db2.gz KSBOIFDXIGPYCX-ZUOKHONESA-N 1 1 391.512 4.459 20 0 GIADMO CCO[C@@H]1C[C@@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)[C@H]1Sc1ccccc1 ZINC000459561244 823220395 /nfs/dbraw/zinc/22/03/95/823220395.db2.gz RHPDMYHWCKFLRD-JMJGKCIBSA-N 1 1 398.572 4.003 20 0 GIADMO CCO[C@H](C)c1nc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000409446609 823220754 /nfs/dbraw/zinc/22/07/54/823220754.db2.gz IJVURDMVCRPVIN-HOJAQTOUSA-N 1 1 385.577 4.195 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(Cl)c(F)cc1Cl ZINC000571703474 823221545 /nfs/dbraw/zinc/22/15/45/823221545.db2.gz CFSMCSYXWFRDNK-UHFFFAOYSA-N 1 1 381.278 4.311 20 0 GIADMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C)c1Br ZINC000571705543 823222103 /nfs/dbraw/zinc/22/21/03/823222103.db2.gz UTTJDPOEXZRKQB-AWEZNQCLSA-N 1 1 391.313 4.213 20 0 GIADMO CCOc1cc(C[NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)cc(Br)c1O ZINC000459568415 823222382 /nfs/dbraw/zinc/22/23/82/823222382.db2.gz WVTNYTPWUBZMSU-DYZYQPBXSA-N 1 1 396.256 4.304 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC(=O)OC2CCCCC2)c1 ZINC000176503651 823223240 /nfs/dbraw/zinc/22/32/40/823223240.db2.gz SYOXDWKJSDSUDM-UHFFFAOYSA-N 1 1 398.507 4.052 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H]2CCCC[C@H]2Oc2ccccc2C)cs1)C1CC1 ZINC000121662418 823224994 /nfs/dbraw/zinc/22/49/94/823224994.db2.gz RFXDCZUSFUBGEP-PZJWPPBQSA-N 1 1 399.560 4.447 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409463171 823225345 /nfs/dbraw/zinc/22/53/45/823225345.db2.gz JBEMPUVGWDQBTH-HDICACEKSA-N 1 1 384.568 4.006 20 0 GIADMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)o1 ZINC000571738267 823228244 /nfs/dbraw/zinc/22/82/44/823228244.db2.gz WIDBTOKDTQLHMX-KUHUBIRLSA-N 1 1 386.402 4.177 20 0 GIADMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)o1 ZINC000571738267 823228246 /nfs/dbraw/zinc/22/82/46/823228246.db2.gz WIDBTOKDTQLHMX-KUHUBIRLSA-N 1 1 386.402 4.177 20 0 GIADMO C[C@H](CNC(=O)c1[nH]c2ccc(F)cc2c1Cl)[N@@H+]1CCc2sccc2C1 ZINC000056888037 823228193 /nfs/dbraw/zinc/22/81/93/823228193.db2.gz UOWBMKWIYNUVLW-LLVKDONJSA-N 1 1 391.899 4.199 20 0 GIADMO C[C@H](CNC(=O)c1[nH]c2ccc(F)cc2c1Cl)[N@H+]1CCc2sccc2C1 ZINC000056888037 823228202 /nfs/dbraw/zinc/22/82/02/823228202.db2.gz UOWBMKWIYNUVLW-LLVKDONJSA-N 1 1 391.899 4.199 20 0 GIADMO CC(C)Oc1ccccc1[C@@H](C)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000056867045 823225731 /nfs/dbraw/zinc/22/57/31/823225731.db2.gz XEEYGTFFTSPXMY-GOSISDBHSA-N 1 1 375.557 4.297 20 0 GIADMO Cc1ccc(C(=O)C2CCN(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000056868844 823226060 /nfs/dbraw/zinc/22/60/60/823226060.db2.gz SBRRRFXIUBUNAX-FQEVSTJZSA-N 1 1 399.579 4.111 20 0 GIADMO COc1ccc2oc([C@H](C)NC(=O)NCCCCn3cc[nH+]c3C)c(C)c2c1 ZINC000176518511 823227362 /nfs/dbraw/zinc/22/73/62/823227362.db2.gz CQVPPWFWLRHVCJ-HNNXBMFYSA-N 1 1 384.480 4.095 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409478593 823230222 /nfs/dbraw/zinc/23/02/22/823230222.db2.gz GDBRHGMXMZXZHB-KBPBESRZSA-N 1 1 378.303 4.141 20 0 GIADMO CC[S@@](=O)c1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000121692689 823231405 /nfs/dbraw/zinc/23/14/05/823231405.db2.gz RQYLCWQAKOILIY-SOKVYYICSA-N 1 1 384.545 4.298 20 0 GIADMO Cc1nc(NC(=O)C[NH2+][C@@H](C)c2cncc(F)c2)sc1Cc1ccc(C)cc1 ZINC000459625719 823232067 /nfs/dbraw/zinc/23/20/67/823232067.db2.gz YEZKLZZJVNPFHP-AWEZNQCLSA-N 1 1 398.507 4.174 20 0 GIADMO CC(C)(C)Oc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000176543115 823233261 /nfs/dbraw/zinc/23/32/61/823233261.db2.gz KIBCSMCNLQOZGN-OAQYLSRUSA-N 1 1 382.504 4.000 20 0 GIADMO Cc1ccc2snc(C(=O)N3CCC[N@@H+](CCCc4ccccc4)CC3)c2c1 ZINC000571780956 823233713 /nfs/dbraw/zinc/23/37/13/823233713.db2.gz LYWAQUJHISDLFV-UHFFFAOYSA-N 1 1 393.556 4.385 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000459633791 823233780 /nfs/dbraw/zinc/23/37/80/823233780.db2.gz LWRWNNREQWRMHI-RYUDHWBXSA-N 1 1 395.931 4.122 20 0 GIADMO COc1ccc(C[NH+]2CC(COc3ccccc3)C2)cc1OCc1cccnc1 ZINC000459633570 823233801 /nfs/dbraw/zinc/23/38/01/823233801.db2.gz PFFCSRJKAIDFEV-UHFFFAOYSA-N 1 1 390.483 4.180 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccccc1C(F)(F)F ZINC000459634414 823234318 /nfs/dbraw/zinc/23/43/18/823234318.db2.gz MWZOWZWKSFSMHA-QWRGUYRKSA-N 1 1 383.439 4.328 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CC12CCOCC2 ZINC000459646047 823237452 /nfs/dbraw/zinc/23/74/52/823237452.db2.gz HSIHTTIQTOFOLW-GOSISDBHSA-N 1 1 379.426 4.258 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1 ZINC000459636064 823234808 /nfs/dbraw/zinc/23/48/08/823234808.db2.gz PIPWUMHZKUYJJV-KXBFYZLASA-N 1 1 399.560 4.045 20 0 GIADMO C[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409511244 823237511 /nfs/dbraw/zinc/23/75/11/823237511.db2.gz WARFNUSQLNZOMI-CYBMUJFWSA-N 1 1 382.451 4.045 20 0 GIADMO C[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409511244 823237514 /nfs/dbraw/zinc/23/75/14/823237514.db2.gz WARFNUSQLNZOMI-CYBMUJFWSA-N 1 1 382.451 4.045 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000459637098 823234951 /nfs/dbraw/zinc/23/49/51/823234951.db2.gz HZDWCHFTPIOJIQ-INIZCTEOSA-N 1 1 377.834 4.400 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459640524 823235523 /nfs/dbraw/zinc/23/55/23/823235523.db2.gz LMPGLHGDYUUEFW-NVXWUHKLSA-N 1 1 384.442 4.003 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459640524 823235526 /nfs/dbraw/zinc/23/55/26/823235526.db2.gz LMPGLHGDYUUEFW-NVXWUHKLSA-N 1 1 384.442 4.003 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC12CCOCC2 ZINC000459639956 823235535 /nfs/dbraw/zinc/23/55/35/823235535.db2.gz LBTNQURCNYCWMN-OAHLLOKOSA-N 1 1 387.833 4.169 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC12CCOCC2 ZINC000459639956 823235540 /nfs/dbraw/zinc/23/55/40/823235540.db2.gz LBTNQURCNYCWMN-OAHLLOKOSA-N 1 1 387.833 4.169 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1)c1nc2c(s1)CCC2 ZINC000459640249 823235644 /nfs/dbraw/zinc/23/56/44/823235644.db2.gz PRWATKXWGJANBR-VBKZILBWSA-N 1 1 397.569 4.250 20 0 GIADMO COc1ccc(CNc2[nH+]cnc3c2c(C)c(C)n3Cc2ccco2)cc1OC ZINC000121712439 823235862 /nfs/dbraw/zinc/23/58/62/823235862.db2.gz QOWJELLZBLTNCG-UHFFFAOYSA-N 1 1 392.459 4.319 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)c1nc2c(s1)CCC2 ZINC000459643737 823236243 /nfs/dbraw/zinc/23/62/43/823236243.db2.gz VRVJGVNUJJYKNO-OAHLLOKOSA-N 1 1 381.501 4.109 20 0 GIADMO O=C(Nc1cc(C2CC2)ccn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000571812012 823238373 /nfs/dbraw/zinc/23/83/73/823238373.db2.gz AYXSFDVFFCFGCE-SEJPIABJSA-N 1 1 376.504 4.276 20 0 GIADMO C[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000056992784 823238570 /nfs/dbraw/zinc/23/85/70/823238570.db2.gz CJUGIVLNQDWMQC-HNNXBMFYSA-N 1 1 383.458 4.111 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)cn1 ZINC000176567807 823238664 /nfs/dbraw/zinc/23/86/64/823238664.db2.gz RZOLZQUFVWWFPS-UHFFFAOYSA-N 1 1 382.895 4.114 20 0 GIADMO C[N@H+](Cc1cccc(-c2ccncc2)c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000121730440 823238721 /nfs/dbraw/zinc/23/87/21/823238721.db2.gz JWIPZBBQXAHEKH-JOCHJYFZSA-N 1 1 393.556 4.315 20 0 GIADMO Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)o2)c(C)o1 ZINC000459650263 823238848 /nfs/dbraw/zinc/23/88/48/823238848.db2.gz XJFFAQNMIHCGRU-HNNXBMFYSA-N 1 1 399.413 4.127 20 0 GIADMO Cc1cc(-c2nnc(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)o2)c(C)o1 ZINC000459650263 823238850 /nfs/dbraw/zinc/23/88/50/823238850.db2.gz XJFFAQNMIHCGRU-HNNXBMFYSA-N 1 1 399.413 4.127 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459651876 823239519 /nfs/dbraw/zinc/23/95/19/823239519.db2.gz ZPQXALVZJLHHLS-AEFFLSMTSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459651876 823239521 /nfs/dbraw/zinc/23/95/21/823239521.db2.gz ZPQXALVZJLHHLS-AEFFLSMTSA-N 1 1 398.469 4.311 20 0 GIADMO CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1F ZINC000459653300 823240178 /nfs/dbraw/zinc/24/01/78/823240178.db2.gz RHHMSTAFKHLUEF-QGZVFWFLSA-N 1 1 375.406 4.405 20 0 GIADMO COC(=O)c1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)s1 ZINC000459654342 823240706 /nfs/dbraw/zinc/24/07/06/823240706.db2.gz FGIZVJDXVKJBSG-HNNXBMFYSA-N 1 1 391.455 4.024 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCNc2cccc(Br)c2)c2ncc[nH]2)cc1 ZINC000188439936 823241210 /nfs/dbraw/zinc/24/12/10/823241210.db2.gz CSPCTDRABHFFND-QGZVFWFLSA-N 1 1 389.272 4.102 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2cnc(Cl)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000176582577 823241692 /nfs/dbraw/zinc/24/16/92/823241692.db2.gz GBZZBEYZKUEQHY-XJKSGUPXSA-N 1 1 378.303 4.171 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2ccc(Br)o2)CC12CCOCC2 ZINC000459656872 823241723 /nfs/dbraw/zinc/24/17/23/823241723.db2.gz WEKHLYKKQYOQBJ-LBPRGKRZSA-N 1 1 382.220 4.223 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc(Br)o2)CC12CCOCC2 ZINC000459656872 823241728 /nfs/dbraw/zinc/24/17/28/823241728.db2.gz WEKHLYKKQYOQBJ-LBPRGKRZSA-N 1 1 382.220 4.223 20 0 GIADMO CCc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)o1 ZINC000121746890 823242002 /nfs/dbraw/zinc/24/20/02/823242002.db2.gz WTWFZMQKANQEMI-CYBMUJFWSA-N 1 1 378.398 4.283 20 0 GIADMO CCn1c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)nc2c1cccc2F ZINC000459657563 823242092 /nfs/dbraw/zinc/24/20/92/823242092.db2.gz IGYJCYFXVDMMQT-INIZCTEOSA-N 1 1 399.432 4.376 20 0 GIADMO CCn1c(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)nc2c1cccc2F ZINC000459657563 823242093 /nfs/dbraw/zinc/24/20/93/823242093.db2.gz IGYJCYFXVDMMQT-INIZCTEOSA-N 1 1 399.432 4.376 20 0 GIADMO O=C(N[C@@H](C1CC1)C(F)(F)F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000571835586 823242164 /nfs/dbraw/zinc/24/21/64/823242164.db2.gz BCFRJUJXIRDKFQ-ICSRJNTNSA-N 1 1 395.469 4.025 20 0 GIADMO COc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188462572 823244320 /nfs/dbraw/zinc/24/43/20/823244320.db2.gz AYAQYEBKKCQMSH-AWEZNQCLSA-N 1 1 378.875 4.175 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459662073 823244350 /nfs/dbraw/zinc/24/43/50/823244350.db2.gz MZQRJHHZHQTGCN-AEFFLSMTSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459662073 823244352 /nfs/dbraw/zinc/24/43/52/823244352.db2.gz MZQRJHHZHQTGCN-AEFFLSMTSA-N 1 1 398.469 4.311 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)cs1)C1CC1 ZINC000459663381 823244643 /nfs/dbraw/zinc/24/46/43/823244643.db2.gz DSGQULNCBJRDDK-CZUORRHYSA-N 1 1 379.888 4.097 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000188465594 823244961 /nfs/dbraw/zinc/24/49/61/823244961.db2.gz NRLBTUXEACUOHV-CQSZACIVSA-N 1 1 395.425 4.083 20 0 GIADMO CCN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H](C)c1cccnc1 ZINC000571848958 823245196 /nfs/dbraw/zinc/24/51/96/823245196.db2.gz XRGFZLGXPPCQKW-IFMALSPDSA-N 1 1 394.563 4.476 20 0 GIADMO Cc1sc(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc1C(C)C ZINC000571849499 823245354 /nfs/dbraw/zinc/24/53/54/823245354.db2.gz TXJOTRYLDMWFKM-SJLPKXTDSA-N 1 1 377.598 4.230 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCCCc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000176601997 823245807 /nfs/dbraw/zinc/24/58/07/823245807.db2.gz FMGFOOHJVSKXES-YLJYHZDGSA-N 1 1 389.540 4.202 20 0 GIADMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000571871915 823248050 /nfs/dbraw/zinc/24/80/50/823248050.db2.gz PYEBCZFOODBJMS-GOSISDBHSA-N 1 1 384.398 4.258 20 0 GIADMO COc1ccc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1SC ZINC000459675429 823248391 /nfs/dbraw/zinc/24/83/91/823248391.db2.gz MWQHRZCECPBUCW-UHFFFAOYSA-N 1 1 386.521 4.042 20 0 GIADMO CC(C)(C)[C@@H]([NH2+]Cn1cc(Br)c([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000057087906 823248398 /nfs/dbraw/zinc/24/83/98/823248398.db2.gz XQWCZBODIHMKKH-ZDUSSCGKSA-N 1 1 385.237 4.027 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+](C)[C@@H]3CCC[C@@H]3c3ccccc3)nc2c1 ZINC000571881378 823249448 /nfs/dbraw/zinc/24/94/48/823249448.db2.gz BJNCBFCOEQRYNG-UYAOXDASSA-N 1 1 398.528 4.390 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+](C)[C@@H]3CCC[C@@H]3c3ccccc3)nc2c1 ZINC000571881378 823249449 /nfs/dbraw/zinc/24/94/49/823249449.db2.gz BJNCBFCOEQRYNG-UYAOXDASSA-N 1 1 398.528 4.390 20 0 GIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C(C)=C3CCCC3)CC2)c1C ZINC000176616829 823249830 /nfs/dbraw/zinc/24/98/30/823249830.db2.gz DIUONCWAINZCNT-UHFFFAOYSA-N 1 1 385.552 4.020 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cn1 ZINC000057118416 823250663 /nfs/dbraw/zinc/25/06/63/823250663.db2.gz ZXXOIFHLBAWXCJ-HXUWFJFHSA-N 1 1 395.482 4.301 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000409569636 823251428 /nfs/dbraw/zinc/25/14/28/823251428.db2.gz HCNPZRXFGSLYCA-LJQANCHMSA-N 1 1 375.516 4.045 20 0 GIADMO C[N@@H+]1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000057131236 823253285 /nfs/dbraw/zinc/25/32/85/823253285.db2.gz UMPRWIULHYQDHJ-RBUKOAKNSA-N 1 1 391.437 4.378 20 0 GIADMO C[N@H+]1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000057131236 823253287 /nfs/dbraw/zinc/25/32/87/823253287.db2.gz UMPRWIULHYQDHJ-RBUKOAKNSA-N 1 1 391.437 4.378 20 0 GIADMO CCOC[C@@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000459701733 823253436 /nfs/dbraw/zinc/25/34/36/823253436.db2.gz FEHUQONBPBZFAN-SFHVURJKSA-N 1 1 387.549 4.024 20 0 GIADMO CCOC[C@@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000459701733 823253443 /nfs/dbraw/zinc/25/34/43/823253443.db2.gz FEHUQONBPBZFAN-SFHVURJKSA-N 1 1 387.549 4.024 20 0 GIADMO Brc1ccc(-c2cnc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)o2)cc1 ZINC000459703801 823253561 /nfs/dbraw/zinc/25/35/61/823253561.db2.gz HHVQUFJGZWTRSD-HZPDHXFCSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccc(-c2cnc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)o2)cc1 ZINC000459703801 823253565 /nfs/dbraw/zinc/25/35/65/823253565.db2.gz HHVQUFJGZWTRSD-HZPDHXFCSA-N 1 1 389.293 4.105 20 0 GIADMO Cc1ccc2[nH+]cc(C(=O)[O-])c(N3CC[NH+]([C@@H](C)c4cccc(F)c4)CC3)c2c1 ZINC000571925911 823255224 /nfs/dbraw/zinc/25/52/24/823255224.db2.gz FUXFZSCETSODDU-INIZCTEOSA-N 1 1 393.462 4.264 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)o1 ZINC000459729905 823257942 /nfs/dbraw/zinc/25/79/42/823257942.db2.gz SDFHEPXSCDAWOI-GOEBONIOSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)o1 ZINC000459729905 823257948 /nfs/dbraw/zinc/25/79/48/823257948.db2.gz SDFHEPXSCDAWOI-GOEBONIOSA-N 1 1 389.293 4.105 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)CC2)cs1 ZINC000176642131 823255955 /nfs/dbraw/zinc/25/59/55/823255955.db2.gz PBNBQAUHHAECQL-HRAATJIYSA-N 1 1 383.561 4.068 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000571933924 823256794 /nfs/dbraw/zinc/25/67/94/823256794.db2.gz DQFWIGUEIUGTMZ-DENIHFKCSA-N 1 1 392.547 4.468 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000409596531 823257457 /nfs/dbraw/zinc/25/74/57/823257457.db2.gz SZDMQLGHLBABQY-HNNXBMFYSA-N 1 1 387.911 4.191 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000409596531 823257462 /nfs/dbraw/zinc/25/74/62/823257462.db2.gz SZDMQLGHLBABQY-HNNXBMFYSA-N 1 1 387.911 4.191 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057177110 823259651 /nfs/dbraw/zinc/25/96/51/823259651.db2.gz JFRXWRCDMMZFIY-IBGZPJMESA-N 1 1 379.504 4.276 20 0 GIADMO Cc1nc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)oc1C ZINC000459750700 823260348 /nfs/dbraw/zinc/26/03/48/823260348.db2.gz JPYZTKBJJVQNID-FCHUYYIVSA-N 1 1 379.479 4.188 20 0 GIADMO Cc1nc(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)oc1C ZINC000459750700 823260357 /nfs/dbraw/zinc/26/03/57/823260357.db2.gz JPYZTKBJJVQNID-FCHUYYIVSA-N 1 1 379.479 4.188 20 0 GIADMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000571961353 823260978 /nfs/dbraw/zinc/26/09/78/823260978.db2.gz TWJRZDHSCZZOSO-KDOFPFPSSA-N 1 1 396.350 4.053 20 0 GIADMO CC(C)(CO)[C@@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1cccs1 ZINC000571962907 823261256 /nfs/dbraw/zinc/26/12/56/823261256.db2.gz GWRWPTIFBGRBGR-INIZCTEOSA-N 1 1 394.338 4.236 20 0 GIADMO CC(C)(CO)[C@@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1cccs1 ZINC000571962907 823261262 /nfs/dbraw/zinc/26/12/62/823261262.db2.gz GWRWPTIFBGRBGR-INIZCTEOSA-N 1 1 394.338 4.236 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2sc3ccccc3c2Br)C1 ZINC000571964699 823261751 /nfs/dbraw/zinc/26/17/51/823261751.db2.gz ONBAFQLUEJEYJX-GFCCVEGCSA-N 1 1 381.339 4.126 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccn(C)n1 ZINC000459770564 823262776 /nfs/dbraw/zinc/26/27/76/823262776.db2.gz YRUYBJJVAVAXEN-YGRLFVJLSA-N 1 1 381.320 4.143 20 0 GIADMO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000176670875 823263965 /nfs/dbraw/zinc/26/39/65/823263965.db2.gz JHRSFFCREVRFFX-UHFFFAOYSA-N 1 1 395.507 4.096 20 0 GIADMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c(Br)c1 ZINC000003585460 817489010 /nfs/dbraw/zinc/48/90/10/817489010.db2.gz CCPHMAQFVKLOOC-UHFFFAOYSA-N 1 1 381.701 4.481 20 0 GIADMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c(Br)c1 ZINC000003585460 817489013 /nfs/dbraw/zinc/48/90/13/817489013.db2.gz CCPHMAQFVKLOOC-UHFFFAOYSA-N 1 1 381.701 4.481 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459816113 823266583 /nfs/dbraw/zinc/26/65/83/823266583.db2.gz VZAPMAAJAWTIBS-CQSZACIVSA-N 1 1 376.522 4.228 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459816113 823266584 /nfs/dbraw/zinc/26/65/84/823266584.db2.gz VZAPMAAJAWTIBS-CQSZACIVSA-N 1 1 376.522 4.228 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000057222809 823266654 /nfs/dbraw/zinc/26/66/54/823266654.db2.gz VGMUSTYPPSTZFT-UHFFFAOYSA-N 1 1 379.807 4.136 20 0 GIADMO C[C@H](C[N@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1)C(=O)OC(C)(C)C ZINC000459826368 823266807 /nfs/dbraw/zinc/26/68/07/823266807.db2.gz MACLRGPXELZJHL-CHWSQXEVSA-N 1 1 379.501 4.315 20 0 GIADMO C[C@H](C[N@@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1)C(=O)OC(C)(C)C ZINC000459826368 823266811 /nfs/dbraw/zinc/26/68/11/823266811.db2.gz MACLRGPXELZJHL-CHWSQXEVSA-N 1 1 379.501 4.315 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000057223472 823266937 /nfs/dbraw/zinc/26/69/37/823266937.db2.gz DFFJQOLPYYUJAG-NSHDSACASA-N 1 1 391.258 4.289 20 0 GIADMO Cc1oc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1C1CC1 ZINC000571994587 823267314 /nfs/dbraw/zinc/26/73/14/823267314.db2.gz HKWKWUHZYCWNNX-BEFAXECRSA-N 1 1 382.508 4.377 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000409646992 823272427 /nfs/dbraw/zinc/27/24/27/823272427.db2.gz YSXNWKBYIRRAEB-MSOLQXFVSA-N 1 1 377.916 4.410 20 0 GIADMO Clc1cnc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Br)c1 ZINC000409646077 823272684 /nfs/dbraw/zinc/27/26/84/823272684.db2.gz PZKCDBBJUGWPMY-GFCCVEGCSA-N 1 1 395.732 4.414 20 0 GIADMO Cc1[nH+]ccn1-c1cncc(N2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000409647231 823272828 /nfs/dbraw/zinc/27/28/28/823272828.db2.gz WHWVEEDGJWLZEN-UHFFFAOYSA-N 1 1 398.308 4.117 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000121902462 823273481 /nfs/dbraw/zinc/27/34/81/823273481.db2.gz AXMKIHCLCJRAHW-AWEZNQCLSA-N 1 1 378.314 4.044 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)cnc21 ZINC000121903839 823273860 /nfs/dbraw/zinc/27/38/60/823273860.db2.gz NOZZJCLZHQPNRT-PMACEKPBSA-N 1 1 382.508 4.474 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCc1cccc(Br)c1 ZINC000121906591 823274339 /nfs/dbraw/zinc/27/43/39/823274339.db2.gz CQTWYQYHEQRKCO-MRXNPFEDSA-N 1 1 381.358 4.153 20 0 GIADMO COc1cc(OC)cc(OCCC[N@H+](C)Cc2csc(-c3ccccn3)n2)c1 ZINC000121936517 823280375 /nfs/dbraw/zinc/28/03/75/823280375.db2.gz ZTNQTPXYZAOQOW-UHFFFAOYSA-N 1 1 399.516 4.123 20 0 GIADMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2csc(-c3ccccn3)n2)c1 ZINC000121936517 823280381 /nfs/dbraw/zinc/28/03/81/823280381.db2.gz ZTNQTPXYZAOQOW-UHFFFAOYSA-N 1 1 399.516 4.123 20 0 GIADMO Cc1c([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cnn1C ZINC000057285803 823275814 /nfs/dbraw/zinc/27/58/14/823275814.db2.gz JWAQNFZPMMRVAA-QGZVFWFLSA-N 1 1 397.567 4.053 20 0 GIADMO CCCCn1c(SCCCc2c[nH+]cn2C)nnc1-c1ccc(OC)cc1 ZINC000572060169 823275878 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Cc1ccc2nc(C[N@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cn2c1 ZINC000176909668 823322041 /nfs/dbraw/zinc/32/20/41/823322041.db2.gz DUTOFQRJJSTKKJ-KRWDZBQOSA-N 1 1 391.450 4.211 20 0 GIADMO CS[C@H](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000122218164 823322849 /nfs/dbraw/zinc/32/28/49/823322849.db2.gz NJCMLLFLVSUJGL-DDUZABMNSA-N 1 1 388.499 4.346 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCOc3ccccc32)cc1 ZINC000122221697 823323516 /nfs/dbraw/zinc/32/35/16/823323516.db2.gz LNKXEQWUZFMLEA-APWZRJJASA-N 1 1 390.487 4.107 20 0 GIADMO C[N@H+](CCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1Br ZINC000015049079 818287010 /nfs/dbraw/zinc/28/70/10/818287010.db2.gz TTZTVMDPTWQYND-UHFFFAOYSA-N 1 1 397.700 4.052 20 0 GIADMO C[N@@H+](CCOc1cccc(Cl)c1)CC(=O)Nc1ccccc1Br ZINC000015049079 818287018 /nfs/dbraw/zinc/28/70/18/818287018.db2.gz TTZTVMDPTWQYND-UHFFFAOYSA-N 1 1 397.700 4.052 20 0 GIADMO C[N@H+](CCOc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000015103336 818290990 /nfs/dbraw/zinc/29/09/90/818290990.db2.gz HWPODOUWRHYCBN-UHFFFAOYSA-N 1 1 386.801 4.308 20 0 GIADMO C[N@@H+](CCOc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000015103336 818290992 /nfs/dbraw/zinc/29/09/92/818290992.db2.gz HWPODOUWRHYCBN-UHFFFAOYSA-N 1 1 386.801 4.308 20 0 GIADMO CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000015312719 818311814 /nfs/dbraw/zinc/31/18/14/818311814.db2.gz HYQLCMOULUEWQT-JOCHJYFZSA-N 1 1 396.531 4.062 20 0 GIADMO CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000015312719 818311820 /nfs/dbraw/zinc/31/18/20/818311820.db2.gz HYQLCMOULUEWQT-JOCHJYFZSA-N 1 1 396.531 4.062 20 0 GIADMO CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000015367313 818318430 /nfs/dbraw/zinc/31/84/30/818318430.db2.gz RQMDTHVZWOMHJA-FCHUYYIVSA-N 1 1 396.531 4.498 20 0 GIADMO CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC)c1ccccc1 ZINC000015367313 818318435 /nfs/dbraw/zinc/31/84/35/818318435.db2.gz RQMDTHVZWOMHJA-FCHUYYIVSA-N 1 1 396.531 4.498 20 0 GIADMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000057755135 823328940 /nfs/dbraw/zinc/32/89/40/823328940.db2.gz LWAAPVBBWLRFJL-BRWVUGGUSA-N 1 1 390.955 4.413 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000015491416 818328979 /nfs/dbraw/zinc/32/89/79/818328979.db2.gz LISMTNJKBDVJLB-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000015491416 818328985 /nfs/dbraw/zinc/32/89/85/818328985.db2.gz LISMTNJKBDVJLB-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)NCCc1ccc(F)cc1 ZINC000015504537 818332222 /nfs/dbraw/zinc/33/22/22/818332222.db2.gz DJMNIFSCJPODOY-SFHVURJKSA-N 1 1 383.511 4.221 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000015509412 818332361 /nfs/dbraw/zinc/33/23/61/818332361.db2.gz QOXKVKYUOASGRF-OLZOCXBDSA-N 1 1 392.883 4.044 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000015547558 818337022 /nfs/dbraw/zinc/33/70/22/818337022.db2.gz VVWGHEZLWOOEFO-KRWDZBQOSA-N 1 1 394.487 4.018 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000015547558 818337028 /nfs/dbraw/zinc/33/70/28/818337028.db2.gz VVWGHEZLWOOEFO-KRWDZBQOSA-N 1 1 394.487 4.018 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000015547518 818337036 /nfs/dbraw/zinc/33/70/36/818337036.db2.gz LLGBHODEJMQVMF-IBGZPJMESA-N 1 1 397.544 4.213 20 0 GIADMO CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000176938887 823329571 /nfs/dbraw/zinc/32/95/71/823329571.db2.gz WZOSYIYPTUEBGH-MOPGFXCFSA-N 1 1 393.622 4.421 20 0 GIADMO Cc1ccnc(-n2c(=O)c3ccccc3nc2SCC[C@H]2CCCC[N@@H+]2C)c1 ZINC000057763659 823329659 /nfs/dbraw/zinc/32/96/59/823329659.db2.gz SKUMMFUNMZHZNC-QGZVFWFLSA-N 1 1 394.544 4.056 20 0 GIADMO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nnc2ccccn21 ZINC000015593857 818343758 /nfs/dbraw/zinc/34/37/58/818343758.db2.gz CDLAIDHFIYNSKO-SFHVURJKSA-N 1 1 394.482 4.433 20 0 GIADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C2SCCS2)cc1 ZINC000015603382 818345863 /nfs/dbraw/zinc/34/58/63/818345863.db2.gz XUOYWYZLZCSLDW-LJQANCHMSA-N 1 1 384.570 4.170 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)o1 ZINC000409872639 823332274 /nfs/dbraw/zinc/33/22/74/823332274.db2.gz BMTPXSRFUBDRPL-SEVLPDGMSA-N 1 1 392.543 4.460 20 0 GIADMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000122319054 823337397 /nfs/dbraw/zinc/33/73/97/823337397.db2.gz XGHIMYMULUGVBW-UNMCSNQZSA-N 1 1 397.515 4.091 20 0 GIADMO COc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000572409343 823334203 /nfs/dbraw/zinc/33/42/03/823334203.db2.gz JVISGYUOXMKRFG-ICSRJNTNSA-N 1 1 383.532 4.222 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000176958992 823334882 /nfs/dbraw/zinc/33/48/82/823334882.db2.gz OHEHZCCROHFMKX-XMSQKQJNSA-N 1 1 396.535 4.307 20 0 GIADMO CC(C)[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000016345389 818426569 /nfs/dbraw/zinc/42/65/69/818426569.db2.gz JYXJXZJWLZRWQM-MHECFPHRSA-N 1 1 396.531 4.354 20 0 GIADMO Cn1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000572417748 823336041 /nfs/dbraw/zinc/33/60/41/823336041.db2.gz IWUSCZIRKOFHCS-JOCHJYFZSA-N 1 1 379.504 4.013 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(CSC)cc1 ZINC000176963920 823336140 /nfs/dbraw/zinc/33/61/40/823336140.db2.gz JUYAASJAEHVLRZ-OAQYLSRUSA-N 1 1 398.576 4.463 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C(=O)OC)cc1 ZINC000016443101 818442980 /nfs/dbraw/zinc/44/29/80/818442980.db2.gz VDAZVEKVROOCAO-UHFFFAOYSA-N 1 1 395.286 4.241 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C(=O)OC)cc1 ZINC000016443101 818442985 /nfs/dbraw/zinc/44/29/85/818442985.db2.gz VDAZVEKVROOCAO-UHFFFAOYSA-N 1 1 395.286 4.241 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCc3cc(N)ccc32)cc1 ZINC000572424879 823336937 /nfs/dbraw/zinc/33/69/37/823336937.db2.gz WJZDCFQTMMIMDG-GAJHUEQPSA-N 1 1 392.547 4.130 20 0 GIADMO Cc1ccc(C)c(Sc2ccc(NC(=O)C[N@@H+]3CCC[C@H](CO)C3)cc2)c1 ZINC000016484209 818448506 /nfs/dbraw/zinc/44/85/06/818448506.db2.gz ZYVNGFIRMXHAKD-SFHVURJKSA-N 1 1 384.545 4.097 20 0 GIADMO Cc1ccc(C)c(Sc2ccc(NC(=O)C[N@H+]3CCC[C@H](CO)C3)cc2)c1 ZINC000016484209 818448513 /nfs/dbraw/zinc/44/85/13/818448513.db2.gz ZYVNGFIRMXHAKD-SFHVURJKSA-N 1 1 384.545 4.097 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000460278911 823338082 /nfs/dbraw/zinc/33/80/82/823338082.db2.gz ZPPGQQKASHJFIU-NXHRZFHOSA-N 1 1 385.474 4.269 20 0 GIADMO C[C@@H](CNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000460278912 823338172 /nfs/dbraw/zinc/33/81/72/823338172.db2.gz ZPPGQQKASHJFIU-RYQLBKOJSA-N 1 1 385.474 4.269 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000016624125 818460315 /nfs/dbraw/zinc/46/03/15/818460315.db2.gz VCXHBBYNVZVFQW-UHFFFAOYSA-N 1 1 388.336 4.377 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000016624125 818460321 /nfs/dbraw/zinc/46/03/21/818460321.db2.gz VCXHBBYNVZVFQW-UHFFFAOYSA-N 1 1 388.336 4.377 20 0 GIADMO C[C@@H](NC(=O)C[N@H+](C)Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000016632153 818461366 /nfs/dbraw/zinc/46/13/66/818461366.db2.gz DSTSCNISVKDVQJ-CYBMUJFWSA-N 1 1 395.728 4.412 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000016632153 818461370 /nfs/dbraw/zinc/46/13/70/818461370.db2.gz DSTSCNISVKDVQJ-CYBMUJFWSA-N 1 1 395.728 4.412 20 0 GIADMO C[N@@H+](CCc1cccc(NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)c1)C1CC1 ZINC000409901271 823339744 /nfs/dbraw/zinc/33/97/44/823339744.db2.gz CNNXJRRWNZHVBD-UHFFFAOYSA-N 1 1 390.531 4.407 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000409915333 823343174 /nfs/dbraw/zinc/34/31/74/823343174.db2.gz JBOZVLZVUOZJML-UNMCSNQZSA-N 1 1 394.506 4.202 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCCC2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000409915333 823343180 /nfs/dbraw/zinc/34/31/80/823343180.db2.gz JBOZVLZVUOZJML-UNMCSNQZSA-N 1 1 394.506 4.202 20 0 GIADMO Cc1ccccc1NC(=O)[C@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843948 823340572 /nfs/dbraw/zinc/34/05/72/823340572.db2.gz IBGGETSJTDLLEN-FQEVSTJZSA-N 1 1 379.548 4.166 20 0 GIADMO Cc1ccccc1NC(=O)[C@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843948 823340579 /nfs/dbraw/zinc/34/05/79/823340579.db2.gz IBGGETSJTDLLEN-FQEVSTJZSA-N 1 1 379.548 4.166 20 0 GIADMO CC(C)n1cnc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000409905239 823340886 /nfs/dbraw/zinc/34/08/86/823340886.db2.gz VTWYJDFOQLAVLU-HKUYNNGSSA-N 1 1 392.906 4.210 20 0 GIADMO CC(C)n1cnc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000409905239 823340894 /nfs/dbraw/zinc/34/08/94/823340894.db2.gz VTWYJDFOQLAVLU-HKUYNNGSSA-N 1 1 392.906 4.210 20 0 GIADMO CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000017313539 818508649 /nfs/dbraw/zinc/50/86/49/818508649.db2.gz DBNNTMXMSXFVEV-UHFFFAOYSA-N 1 1 378.495 4.252 20 0 GIADMO CC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000017313539 818508657 /nfs/dbraw/zinc/50/86/57/818508657.db2.gz DBNNTMXMSXFVEV-UHFFFAOYSA-N 1 1 378.495 4.252 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000176984313 823342289 /nfs/dbraw/zinc/34/22/89/823342289.db2.gz HPUNGZBNNROLMQ-GOSISDBHSA-N 1 1 379.504 4.113 20 0 GIADMO Cc1c(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cnn1CCC(C)C ZINC000122359537 823343561 /nfs/dbraw/zinc/34/35/61/823343561.db2.gz YGQAMJFENWYZBM-ROUUACIJSA-N 1 1 398.551 4.099 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000057889608 823345341 /nfs/dbraw/zinc/34/53/41/823345341.db2.gz LYCBQVIUGNFMEF-INIZCTEOSA-N 1 1 387.474 4.196 20 0 GIADMO C[N@@H+](CCCNC(=O)COc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000018232642 818558929 /nfs/dbraw/zinc/55/89/29/818558929.db2.gz WCZISHXRUFRBEC-UHFFFAOYSA-N 1 1 381.303 4.011 20 0 GIADMO Fc1ccc(Cn2cc(C[NH2+]Cc3cccnc3OC3CCCC3)cn2)cc1 ZINC000189039854 823346358 /nfs/dbraw/zinc/34/63/58/823346358.db2.gz DBNXOSJUZBNTOH-UHFFFAOYSA-N 1 1 380.467 4.077 20 0 GIADMO CCN(c1nnc(-c2ccoc2)n1CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460304069 823346541 /nfs/dbraw/zinc/34/65/41/823346541.db2.gz ODTXLXHCGDHPCE-PXNSSMCTSA-N 1 1 379.508 4.220 20 0 GIADMO CC[N@@H+](C)[C@H](C(=O)NCc1cccc(COCc2ccco2)c1)c1ccccc1 ZINC000057911907 823347607 /nfs/dbraw/zinc/34/76/07/823347607.db2.gz DPFRDQPFOGNLHD-QHCPKHFHSA-N 1 1 392.499 4.306 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000189051196 823348829 /nfs/dbraw/zinc/34/88/29/823348829.db2.gz HVNHUNSCVGRUCU-DNVCBOLYSA-N 1 1 395.503 4.401 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000020935794 818641654 /nfs/dbraw/zinc/64/16/54/818641654.db2.gz DXDVVAANAZYSJU-FQEVSTJZSA-N 1 1 392.503 4.039 20 0 GIADMO CN(C)C(=O)Sc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000177028771 823353729 /nfs/dbraw/zinc/35/37/29/823353729.db2.gz LKOZDORBJUKEPU-NRFANRHFSA-N 1 1 397.588 4.414 20 0 GIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2)C[C@H](C)O1 ZINC000021056145 818650638 /nfs/dbraw/zinc/65/06/38/818650638.db2.gz USKKEAOOWOMFED-ROUUACIJSA-N 1 1 382.504 4.097 20 0 GIADMO Cc1c2cc(Cl)ccc2oc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000021058628 818650690 /nfs/dbraw/zinc/65/06/90/818650690.db2.gz JTTPCBXBWBSZRY-BETUJISGSA-N 1 1 378.900 4.012 20 0 GIADMO Cc1c2cc(Cl)ccc2oc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000021058628 818650696 /nfs/dbraw/zinc/65/06/96/818650696.db2.gz JTTPCBXBWBSZRY-BETUJISGSA-N 1 1 378.900 4.012 20 0 GIADMO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000572504497 823350589 /nfs/dbraw/zinc/35/05/89/823350589.db2.gz TZTNIDKTAALQAX-AOHZBQACSA-N 1 1 396.506 4.017 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnccc1Oc1ccccc1 ZINC000409947842 823350838 /nfs/dbraw/zinc/35/08/38/823350838.db2.gz OSKPNCLMMFKVMX-FQEVSTJZSA-N 1 1 387.483 4.126 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000189106941 823358667 /nfs/dbraw/zinc/35/86/67/823358667.db2.gz IBPDYDGVSQTKMR-KRWDZBQOSA-N 1 1 382.470 4.265 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000460353690 823362052 /nfs/dbraw/zinc/36/20/52/823362052.db2.gz ZZOWDVKFGGNYPJ-SCLBCKFNSA-N 1 1 388.309 4.174 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000460353690 823362057 /nfs/dbraw/zinc/36/20/57/823362057.db2.gz ZZOWDVKFGGNYPJ-SCLBCKFNSA-N 1 1 388.309 4.174 20 0 GIADMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014883 818763581 /nfs/dbraw/zinc/76/35/81/818763581.db2.gz YWEWEQKQQWHTNN-HUUCEWRRSA-N 1 1 382.489 4.210 20 0 GIADMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014883 818763588 /nfs/dbraw/zinc/76/35/88/818763588.db2.gz YWEWEQKQQWHTNN-HUUCEWRRSA-N 1 1 382.489 4.210 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000122490617 823362427 /nfs/dbraw/zinc/36/24/27/823362427.db2.gz SWMVGLPJVYJCSB-MAUKXSAKSA-N 1 1 388.483 4.103 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)C1 ZINC000409989781 823363978 /nfs/dbraw/zinc/36/39/78/823363978.db2.gz YOWDIIHPDHFTBH-PMACEKPBSA-N 1 1 380.532 4.358 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000122503020 823364168 /nfs/dbraw/zinc/36/41/68/823364168.db2.gz BCTAIANWXVEMNN-QHCPKHFHSA-N 1 1 394.446 4.161 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)C1 ZINC000409989783 823364248 /nfs/dbraw/zinc/36/42/48/823364248.db2.gz YOWDIIHPDHFTBH-WOJBJXKFSA-N 1 1 380.532 4.358 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000460364854 823364567 /nfs/dbraw/zinc/36/45/67/823364567.db2.gz VJZFDVQRHQUHKB-GDAAHCPNSA-N 1 1 397.485 4.412 20 0 GIADMO COc1ccc(CN(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c2ccncc2)cc1 ZINC000460372164 823367279 /nfs/dbraw/zinc/36/72/79/823367279.db2.gz QXLADRABAIJNNR-LJQANCHMSA-N 1 1 389.499 4.144 20 0 GIADMO COc1ccc(CN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c2ccncc2)cc1 ZINC000460372164 823367288 /nfs/dbraw/zinc/36/72/88/823367288.db2.gz QXLADRABAIJNNR-LJQANCHMSA-N 1 1 389.499 4.144 20 0 GIADMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc(F)c1)N[C@H]1CCOc2ccccc21 ZINC000122514793 823365320 /nfs/dbraw/zinc/36/53/20/823365320.db2.gz FKWFVPYKFGXDLF-URXFXBBRSA-N 1 1 390.458 4.145 20 0 GIADMO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c(C)n1[C@H](C)c1ccccc1 ZINC000122514450 823365563 /nfs/dbraw/zinc/36/55/63/823365563.db2.gz NOXPBFGSVNVOJH-FUHWJXTLSA-N 1 1 378.520 4.285 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccncc2)C1)c1cc2ccccc2o1 ZINC000572591855 823366453 /nfs/dbraw/zinc/36/64/53/823366453.db2.gz PBTPUJBTYBGNJI-ZWOKBUDYSA-N 1 1 377.488 4.273 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccncc2)C1)c1cc2ccccc2o1 ZINC000572591855 823366456 /nfs/dbraw/zinc/36/64/56/823366456.db2.gz PBTPUJBTYBGNJI-ZWOKBUDYSA-N 1 1 377.488 4.273 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000409996408 823366534 /nfs/dbraw/zinc/36/65/34/823366534.db2.gz FFGJSIXKNZUIIZ-OAHLLOKOSA-N 1 1 375.513 4.108 20 0 GIADMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1Cc2ccccc2S1 ZINC000022619707 818834938 /nfs/dbraw/zinc/83/49/38/818834938.db2.gz BWOGSQPNZYCTOS-ICSRJNTNSA-N 1 1 386.948 4.310 20 0 GIADMO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000177060798 823361886 /nfs/dbraw/zinc/36/18/86/823361886.db2.gz UMMGLHJZGVORJW-WBVHZDCISA-N 1 1 384.524 4.063 20 0 GIADMO C[C@@H](c1nn(CN(C)CC2CCCC2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000058207526 823369073 /nfs/dbraw/zinc/36/90/73/823369073.db2.gz GKLXXTAZYNTXCU-HNNXBMFYSA-N 1 1 391.560 4.244 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccccc3)CC2)c(C)c1 ZINC000022807907 818862936 /nfs/dbraw/zinc/86/29/36/818862936.db2.gz JNLBFFZWGKGOTB-OAQYLSRUSA-N 1 1 379.548 4.147 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)cc1 ZINC000022836201 818865963 /nfs/dbraw/zinc/86/59/63/818865963.db2.gz SJIDOMVHKXTTBI-UHFFFAOYSA-N 1 1 391.540 4.318 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000022836201 818865971 /nfs/dbraw/zinc/86/59/71/818865971.db2.gz SJIDOMVHKXTTBI-UHFFFAOYSA-N 1 1 391.540 4.318 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(Cl)cc2c1OCC2 ZINC000572620260 823370027 /nfs/dbraw/zinc/37/00/27/823370027.db2.gz AGUFQCPJAIBRGS-UHFFFAOYSA-N 1 1 391.924 4.360 20 0 GIADMO CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000410023642 823373366 /nfs/dbraw/zinc/37/33/66/823373366.db2.gz ANTXKKBJULNDRO-SFHVURJKSA-N 1 1 382.552 4.045 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1OC ZINC000122563893 823373515 /nfs/dbraw/zinc/37/35/15/823373515.db2.gz NISWTRKJTIIAFQ-HSZRJFAPSA-N 1 1 394.446 4.161 20 0 GIADMO CC(C)c1ccc([C@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c2cccs2)cc1 ZINC000177103379 823371732 /nfs/dbraw/zinc/37/17/32/823371732.db2.gz RZQMGJWUQLCWNF-CTNGQTDRSA-N 1 1 394.544 4.090 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1cc(C(C)C)nc2ccccc21)[NH+](C)C ZINC000023178381 818905701 /nfs/dbraw/zinc/90/57/01/818905701.db2.gz SCAQRPZQGHBAME-QFIPXVFZSA-N 1 1 391.515 4.400 20 0 GIADMO CC(C)c1ccc([C@@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c2cccs2)cc1 ZINC000177103420 823371931 /nfs/dbraw/zinc/37/19/31/823371931.db2.gz RZQMGJWUQLCWNF-PZJWPPBQSA-N 1 1 394.544 4.090 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000058274264 823373583 /nfs/dbraw/zinc/37/35/83/823373583.db2.gz SPRPFLHWVQIURF-GOSISDBHSA-N 1 1 386.923 4.381 20 0 GIADMO Cc1ccc2c(CN3CCC[N@@H+](Cc4ccccc4)CC3)cc(=O)oc2c1C ZINC000023355141 818926971 /nfs/dbraw/zinc/92/69/71/818926971.db2.gz ZHPHOYGRRIKVRM-UHFFFAOYSA-N 1 1 376.500 4.118 20 0 GIADMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000023390134 818932322 /nfs/dbraw/zinc/93/23/22/818932322.db2.gz HNROZWNUGAVCGZ-IBGZPJMESA-N 1 1 387.426 4.313 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(-c3ccco3)nc3ccccc32)[C@H](C)C1 ZINC000122574555 823375251 /nfs/dbraw/zinc/37/52/51/823375251.db2.gz MQZXJNWUWMCXCT-IERDGZPVSA-N 1 1 377.488 4.297 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023480194 818944563 /nfs/dbraw/zinc/94/45/63/818944563.db2.gz MUFUOTNAHSYGGI-OAQYLSRUSA-N 1 1 394.950 4.257 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000023480194 818944569 /nfs/dbraw/zinc/94/45/69/818944569.db2.gz MUFUOTNAHSYGGI-OAQYLSRUSA-N 1 1 394.950 4.257 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc2ccccc2n1Cc1ccccc1F ZINC000058299879 823376509 /nfs/dbraw/zinc/37/65/09/823376509.db2.gz BAZUJFDRVMRGAD-UNMCSNQZSA-N 1 1 391.490 4.185 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+](C)[C@H](C)c3ccc(F)c(F)c3)cc(=O)oc2c1 ZINC000023667618 818971759 /nfs/dbraw/zinc/97/17/59/818971759.db2.gz RJAQSNRLWOSNQS-GFCCVEGCSA-N 1 1 386.398 4.223 20 0 GIADMO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189212259 823376936 /nfs/dbraw/zinc/37/69/36/823376936.db2.gz ORFBKRUUVGKULA-LJQANCHMSA-N 1 1 392.522 4.386 20 0 GIADMO Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000410042087 823377692 /nfs/dbraw/zinc/37/76/92/823377692.db2.gz CJGOAMOJHVSOPU-AQNXPRMDSA-N 1 1 380.532 4.404 20 0 GIADMO Cn1cncc1CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000572659284 823377722 /nfs/dbraw/zinc/37/77/22/823377722.db2.gz AZLDDJOCUJMKAU-UHFFFAOYSA-N 1 1 385.515 4.337 20 0 GIADMO O=C(Nc1ccc(Br)c(F)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000460406698 823378852 /nfs/dbraw/zinc/37/88/52/823378852.db2.gz SKJZPEQYORUESD-KRWDZBQOSA-N 1 1 377.257 4.191 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)CCCc1nc2ccccc2s1)[NH+](C)C ZINC000023979235 819001803 /nfs/dbraw/zinc/00/18/03/819001803.db2.gz VHLVTISRLKOYIY-SFHVURJKSA-N 1 1 397.544 4.047 20 0 GIADMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000572669174 823379223 /nfs/dbraw/zinc/37/92/23/823379223.db2.gz MQEDQNUNGXFQHC-QRVBRYPASA-N 1 1 382.470 4.478 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2CCCC(=O)Nc2ccccc2C(C)=O)c1 ZINC000572673330 823380023 /nfs/dbraw/zinc/38/00/23/823380023.db2.gz DNTANKMJOMSXJL-JOCHJYFZSA-N 1 1 380.488 4.454 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000122606456 823380288 /nfs/dbraw/zinc/38/02/88/823380288.db2.gz CYLSJNLRSOQYJU-UHFFFAOYSA-N 1 1 399.720 4.470 20 0 GIADMO C[N@@H+]1CCC[C@H](CNCc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cccs1 ZINC000189243559 823380646 /nfs/dbraw/zinc/38/06/46/823380646.db2.gz VWFACVOUKUMRGI-DENIHFKCSA-N 1 1 398.551 4.305 20 0 GIADMO C[N@H+]1CCC[C@H](CNCc2cnn(Cc3ccc(F)cc3)c2)[C@@H]1c1cccs1 ZINC000189243559 823380650 /nfs/dbraw/zinc/38/06/50/823380650.db2.gz VWFACVOUKUMRGI-DENIHFKCSA-N 1 1 398.551 4.305 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccco1 ZINC000024566546 819071990 /nfs/dbraw/zinc/07/19/90/819071990.db2.gz ZWSUTMHHTFELNA-JOCHJYFZSA-N 1 1 391.515 4.404 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccco1 ZINC000024566543 819072074 /nfs/dbraw/zinc/07/20/74/819072074.db2.gz ZWSUTMHHTFELNA-QFIPXVFZSA-N 1 1 391.515 4.404 20 0 GIADMO CCCN(C(=O)[C@H](C)c1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000122629181 823384369 /nfs/dbraw/zinc/38/43/69/823384369.db2.gz VLGSDBLWRLUSSU-LJQANCHMSA-N 1 1 394.563 4.413 20 0 GIADMO FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)cc2)n1 ZINC000572721907 823388880 /nfs/dbraw/zinc/38/88/80/823388880.db2.gz JKLYYZLGTMNRAM-SJLPKXTDSA-N 1 1 379.426 4.282 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NC3CC(C)(c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000410077378 823385290 /nfs/dbraw/zinc/38/52/90/823385290.db2.gz LCROAKWOPWQEHQ-CIXQWMLESA-N 1 1 392.543 4.146 20 0 GIADMO O[C@@H](C[N@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000177156902 823386023 /nfs/dbraw/zinc/38/60/23/823386023.db2.gz CPKBKAVPNUWQQL-FQEVSTJZSA-N 1 1 383.419 4.021 20 0 GIADMO O[C@@H](C[N@@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000177156902 823386029 /nfs/dbraw/zinc/38/60/29/823386029.db2.gz CPKBKAVPNUWQQL-FQEVSTJZSA-N 1 1 383.419 4.021 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)c2ccc(F)cc2)cc1 ZINC000177156882 823386185 /nfs/dbraw/zinc/38/61/85/823386185.db2.gz BFPJQRUXXBBMTN-HSZRJFAPSA-N 1 1 388.446 4.294 20 0 GIADMO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(F)nc1 ZINC000189284129 823386891 /nfs/dbraw/zinc/38/68/91/823386891.db2.gz XHRMISMUSDLHRX-ZDUSSCGKSA-N 1 1 383.389 4.479 20 0 GIADMO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(F)nc1 ZINC000189284129 823386893 /nfs/dbraw/zinc/38/68/93/823386893.db2.gz XHRMISMUSDLHRX-ZDUSSCGKSA-N 1 1 383.389 4.479 20 0 GIADMO COc1cccc([C@H](C)C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410101587 823392034 /nfs/dbraw/zinc/39/20/34/823392034.db2.gz KWSSZZPEHLJBBB-FDDCHVKYSA-N 1 1 394.559 4.388 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177178983 823392343 /nfs/dbraw/zinc/39/23/43/823392343.db2.gz QZQNKDIQYWGZHC-ZYHUDNBSSA-N 1 1 394.302 4.312 20 0 GIADMO FC(F)(F)CC[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)CC1CC1 ZINC000177170399 823390259 /nfs/dbraw/zinc/39/02/59/823390259.db2.gz WPFVNALFFHQBGA-UHFFFAOYSA-N 1 1 394.191 4.257 20 0 GIADMO FC(F)(F)CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)CC1CC1 ZINC000177170399 823390261 /nfs/dbraw/zinc/39/02/61/823390261.db2.gz WPFVNALFFHQBGA-UHFFFAOYSA-N 1 1 394.191 4.257 20 0 GIADMO Cc1cc(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)nn1C(C)(C)C ZINC000410099515 823390900 /nfs/dbraw/zinc/39/09/00/823390900.db2.gz FOJISOKMFSQARQ-NRFANRHFSA-N 1 1 396.579 4.149 20 0 GIADMO CCc1noc(C)c1C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000572740379 823391391 /nfs/dbraw/zinc/39/13/91/823391391.db2.gz SVEQCHXWJYMISC-UHFFFAOYSA-N 1 1 375.213 4.199 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)CC2)cs1 ZINC000189327310 823394800 /nfs/dbraw/zinc/39/48/00/823394800.db2.gz WQTFDDSUTVRDIA-FPOVZHCZSA-N 1 1 397.588 4.191 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2)cs1 ZINC000177199571 823397354 /nfs/dbraw/zinc/39/73/54/823397354.db2.gz ZCSCUZKQGWTKNX-XJKSGUPXSA-N 1 1 387.574 4.099 20 0 GIADMO CCC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000572797827 823400652 /nfs/dbraw/zinc/40/06/52/823400652.db2.gz IELIYOWXVWZXQF-MBSDFSHPSA-N 1 1 382.504 4.290 20 0 GIADMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000058523769 823403935 /nfs/dbraw/zinc/40/39/35/823403935.db2.gz YINJTDWLFAUKNQ-RTWAWAEBSA-N 1 1 375.520 4.437 20 0 GIADMO Cc1nc(C(C)(C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)sc1C ZINC000572831603 823406981 /nfs/dbraw/zinc/40/69/81/823406981.db2.gz YNBKBCCOVXBHSF-OAHLLOKOSA-N 1 1 381.904 4.183 20 0 GIADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000122758431 823407093 /nfs/dbraw/zinc/40/70/93/823407093.db2.gz OELNKSAHSSYOCQ-GOSISDBHSA-N 1 1 388.943 4.011 20 0 GIADMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000122758431 823407096 /nfs/dbraw/zinc/40/70/96/823407096.db2.gz OELNKSAHSSYOCQ-GOSISDBHSA-N 1 1 388.943 4.011 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@H+]1CCCC[C@H]1C ZINC000058548332 823407599 /nfs/dbraw/zinc/40/75/99/823407599.db2.gz KVKRQNDYLSCNLJ-ZIAGYGMSSA-N 1 1 386.462 4.156 20 0 GIADMO CC[C@@H](C)n1c2ccc(NC(=O)N3CCC[N@@H+](C)CC3)cc2nc1C(F)(F)F ZINC000572835958 823407811 /nfs/dbraw/zinc/40/78/11/823407811.db2.gz RWXNKWKETSFAND-CYBMUJFWSA-N 1 1 397.445 4.196 20 0 GIADMO Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000189412024 823410743 /nfs/dbraw/zinc/41/07/43/823410743.db2.gz NMWONPWUESSYDK-UHFFFAOYSA-N 1 1 397.544 4.159 20 0 GIADMO Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000189412024 823410747 /nfs/dbraw/zinc/41/07/47/823410747.db2.gz NMWONPWUESSYDK-UHFFFAOYSA-N 1 1 397.544 4.159 20 0 GIADMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000572881672 823413222 /nfs/dbraw/zinc/41/32/22/823413222.db2.gz ZVGUERQGCGKCTM-OAHLLOKOSA-N 1 1 392.450 4.207 20 0 GIADMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000572887234 823414104 /nfs/dbraw/zinc/41/41/04/823414104.db2.gz LURUXZLEKRDZIU-QGZVFWFLSA-N 1 1 391.437 4.029 20 0 GIADMO CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000572889281 823414522 /nfs/dbraw/zinc/41/45/22/823414522.db2.gz HNYOFQOUOCVNMS-RHSMWYFYSA-N 1 1 381.442 4.232 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC000572928734 823421783 /nfs/dbraw/zinc/42/17/83/823421783.db2.gz ISDPHMWSSAXQQT-OAQYLSRUSA-N 1 1 378.520 4.345 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(O)ccc1C(F)(F)F ZINC000189460982 823422066 /nfs/dbraw/zinc/42/20/66/823422066.db2.gz WRBNOYNYEJFYAB-INIZCTEOSA-N 1 1 392.421 4.005 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)[nH+]c1 ZINC000410216725 823422381 /nfs/dbraw/zinc/42/23/81/823422381.db2.gz REHLVLPDFYGODM-NRFANRHFSA-N 1 1 384.499 4.194 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460538224 823424338 /nfs/dbraw/zinc/42/43/38/823424338.db2.gz QXVQAGLGVZOSFW-QFIPXVFZSA-N 1 1 393.531 4.386 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460538224 823424340 /nfs/dbraw/zinc/42/43/40/823424340.db2.gz QXVQAGLGVZOSFW-QFIPXVFZSA-N 1 1 393.531 4.386 20 0 GIADMO C[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1cccc(C(F)(F)F)c1 ZINC000122868156 823426194 /nfs/dbraw/zinc/42/61/94/823426194.db2.gz XNYVCSCQTRZWJR-CQSZACIVSA-N 1 1 394.441 4.164 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCc3c(O)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000189488272 823428457 /nfs/dbraw/zinc/42/84/57/823428457.db2.gz MJOGMJUCACKSDQ-ZWCUEREDSA-N 1 1 393.531 4.122 20 0 GIADMO CC[C@H](NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)nn(C)c1C ZINC000122885006 823428707 /nfs/dbraw/zinc/42/87/07/823428707.db2.gz YGEHEUXDIHAZIS-VLIAUNLRSA-N 1 1 394.523 4.043 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1nc(C(C)(C)C)cs1 ZINC000177315046 823430556 /nfs/dbraw/zinc/43/05/56/823430556.db2.gz VJURBQVYCRIJFO-UONOGXRCSA-N 1 1 395.594 4.103 20 0 GIADMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000122896256 823430635 /nfs/dbraw/zinc/43/06/35/823430635.db2.gz FVACWJJFAWXEPU-CVEARBPZSA-N 1 1 386.542 4.323 20 0 GIADMO Cc1c(O)ccc2c(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cc(=O)oc12 ZINC000024665525 819862065 /nfs/dbraw/zinc/86/20/65/819862065.db2.gz ANYBHUNREXCUGX-HNNXBMFYSA-N 1 1 390.439 4.328 20 0 GIADMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000024674127 819863338 /nfs/dbraw/zinc/86/33/38/819863338.db2.gz UUMIYXPGAZIQDK-QGZVFWFLSA-N 1 1 380.488 4.087 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000024731632 819869878 /nfs/dbraw/zinc/86/98/78/819869878.db2.gz CWOKYMYPSACNSE-CQSZACIVSA-N 1 1 376.382 4.359 20 0 GIADMO COCCc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000189514304 823435027 /nfs/dbraw/zinc/43/50/27/823435027.db2.gz LRACCCSOUAJZJO-UHFFFAOYSA-N 1 1 381.520 4.004 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)cc1OC ZINC000024804488 819878693 /nfs/dbraw/zinc/87/86/93/819878693.db2.gz JUTANGCGLYYBAD-UHFFFAOYSA-N 1 1 376.884 4.126 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000024857546 819884593 /nfs/dbraw/zinc/88/45/93/819884593.db2.gz HXMPERRBRRMPGL-UHFFFAOYSA-N 1 1 379.435 4.331 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000177330431 823435830 /nfs/dbraw/zinc/43/58/30/823435830.db2.gz XSXKJBXVBZMCIC-UHFFFAOYSA-N 1 1 397.523 4.312 20 0 GIADMO COc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)c1OC ZINC000573026886 823436257 /nfs/dbraw/zinc/43/62/57/823436257.db2.gz BHTRDCHBYOZHIF-HXUWFJFHSA-N 1 1 396.531 4.044 20 0 GIADMO Cc1ccc(-n2cc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000573030149 823436949 /nfs/dbraw/zinc/43/69/49/823436949.db2.gz GAGUVLSZDAKZRZ-TZYHBYERSA-N 1 1 391.490 4.190 20 0 GIADMO Cc1c(C)n(C2CCCCC2)c(=S)n1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000024979155 819903542 /nfs/dbraw/zinc/90/35/42/819903542.db2.gz PMHKPAKPHAWTKT-UHFFFAOYSA-N 1 1 399.608 4.311 20 0 GIADMO COc1ccc(C[N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)cc1 ZINC000573032359 823437032 /nfs/dbraw/zinc/43/70/32/823437032.db2.gz MMBHPSVLQDYBRO-AWEZNQCLSA-N 1 1 396.560 4.081 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC000025051456 819915833 /nfs/dbraw/zinc/91/58/33/819915833.db2.gz FNCRVLURFQCBCX-IRXDYDNUSA-N 1 1 386.923 4.221 20 0 GIADMO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025059387 819917705 /nfs/dbraw/zinc/91/77/05/819917705.db2.gz NFVXSSFASDMKTP-PXNSSMCTSA-N 1 1 396.556 4.395 20 0 GIADMO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025059368 819917870 /nfs/dbraw/zinc/91/78/70/819917870.db2.gz NFVXSSFASDMKTP-YLJYHZDGSA-N 1 1 396.556 4.395 20 0 GIADMO Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025091338 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381.520 4.235 20 0 GIADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000123080542 823458890 /nfs/dbraw/zinc/45/88/90/823458890.db2.gz IOGGWOVBFIYNCB-OAHLLOKOSA-N 1 1 394.910 4.095 20 0 GIADMO Cc1cc(CNc2ccccc2C[NH+]2CCOCC2)ccc1Br ZINC000410314827 823460438 /nfs/dbraw/zinc/46/04/38/823460438.db2.gz OJVKPLRJNSYINV-UHFFFAOYSA-N 1 1 375.310 4.202 20 0 GIADMO C[C@@H](NC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1)C1=CC[N@@H+](C)CC1 ZINC000460644050 823464971 /nfs/dbraw/zinc/46/49/71/823464971.db2.gz BSDNJKPAHRCDMM-XIKOKIGWSA-N 1 1 382.335 4.394 20 0 GIADMO CCCC[N@@H+](CC)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000027272873 820217893 /nfs/dbraw/zinc/21/78/93/820217893.db2.gz ACFKDZKQYJDJBX-UHFFFAOYSA-N 1 1 383.492 4.008 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1C ZINC000027289106 820221616 /nfs/dbraw/zinc/22/16/16/820221616.db2.gz YSBLPMOPFCMYOK-UHFFFAOYSA-N 1 1 378.516 4.339 20 0 GIADMO Nc1nc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2ccccc12 ZINC000027354658 820229725 /nfs/dbraw/zinc/22/97/25/820229725.db2.gz CFQFMSZICKMJSG-UHFFFAOYSA-N 1 1 375.501 4.201 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCn2ccc3ccccc32)CC1 ZINC000027388178 820237181 /nfs/dbraw/zinc/23/71/81/820237181.db2.gz PSUHVHFRULZUCB-UHFFFAOYSA-N 1 1 375.516 4.074 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C2CC2)cc1 ZINC000027540084 820257658 /nfs/dbraw/zinc/25/76/58/820257658.db2.gz XCAZXEMYABNKFZ-UHFFFAOYSA-N 1 1 390.483 4.078 20 0 GIADMO COc1ccc(OC)c(C[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C2CC2)c1 ZINC000027603486 820266192 /nfs/dbraw/zinc/26/61/92/820266192.db2.gz KENZIEDIFKHEAE-UHFFFAOYSA-N 1 1 379.456 4.283 20 0 GIADMO COc1ccc(OC)c(C[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C2CC2)c1 ZINC000027603486 820266199 /nfs/dbraw/zinc/26/61/99/820266199.db2.gz KENZIEDIFKHEAE-UHFFFAOYSA-N 1 1 379.456 4.283 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(Br)cn1)c1ccco1 ZINC000177458769 823467323 /nfs/dbraw/zinc/46/73/23/823467323.db2.gz ACDYVOMZGZANAR-IRXDYDNUSA-N 1 1 379.298 4.305 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(Br)cn1)c1ccco1 ZINC000177458769 823467325 /nfs/dbraw/zinc/46/73/25/823467325.db2.gz ACDYVOMZGZANAR-IRXDYDNUSA-N 1 1 379.298 4.305 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)C[C@](C)(O)C(F)(F)F ZINC000410341500 823467708 /nfs/dbraw/zinc/46/77/08/823467708.db2.gz WKUHWKCPLKUXKL-SFHVURJKSA-N 1 1 388.405 4.439 20 0 GIADMO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)n1 ZINC000027905968 820294601 /nfs/dbraw/zinc/29/46/01/820294601.db2.gz PRBBTXLFWUOQDU-AWEZNQCLSA-N 1 1 386.496 4.124 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000027906116 820294671 /nfs/dbraw/zinc/29/46/71/820294671.db2.gz AAJHHNGPUSNVAF-HXUWFJFHSA-N 1 1 388.458 4.256 20 0 GIADMO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000027951215 820300167 /nfs/dbraw/zinc/30/01/67/820300167.db2.gz WUXNEZRQPVBSCB-DLBZAZTESA-N 1 1 397.544 4.086 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCn3cccc3[C@@H]2C)cc1 ZINC000410343695 823468420 /nfs/dbraw/zinc/46/84/20/823468420.db2.gz HFZZUWHYPIEYSB-MOPGFXCFSA-N 1 1 380.536 4.149 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCOc2ccccc2)cc1 ZINC000410343469 823468482 /nfs/dbraw/zinc/46/84/82/823468482.db2.gz GYGIODVDJVDYBL-FQEVSTJZSA-N 1 1 395.547 4.281 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccnc3)cc2)C1 ZINC000410354242 823471399 /nfs/dbraw/zinc/47/13/99/823471399.db2.gz OEHGINBIDVQZFH-AUSIDOKSSA-N 1 1 392.547 4.360 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4cccc5c4OCCO5)CC3)c2c1 ZINC000058907959 823468987 /nfs/dbraw/zinc/46/89/87/823468987.db2.gz QXPCOTBEJBSWIR-UHFFFAOYSA-N 1 1 376.456 4.237 20 0 GIADMO CO[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccccc1 ZINC000410346680 823469144 /nfs/dbraw/zinc/46/91/44/823469144.db2.gz KECXZKOGLYWYIM-CVDCTZTESA-N 1 1 395.547 4.248 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCc4sccc4C3)ccc2c1 ZINC000028176240 820315590 /nfs/dbraw/zinc/31/55/90/820315590.db2.gz KBWVKGRHSSADNZ-MRXNPFEDSA-N 1 1 394.540 4.315 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCc4sccc4C3)ccc2c1 ZINC000028176240 820315602 /nfs/dbraw/zinc/31/56/02/820315602.db2.gz KBWVKGRHSSADNZ-MRXNPFEDSA-N 1 1 394.540 4.315 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+]1Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000189670050 823471478 /nfs/dbraw/zinc/47/14/78/823471478.db2.gz DIUKCMLJYZJZNT-NRFANRHFSA-N 1 1 387.549 4.181 20 0 GIADMO CC[C@@]1(CO)CCC[N@H+]1Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000189670050 823471481 /nfs/dbraw/zinc/47/14/81/823471481.db2.gz DIUKCMLJYZJZNT-NRFANRHFSA-N 1 1 387.549 4.181 20 0 GIADMO CC[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC000460659761 823469477 /nfs/dbraw/zinc/46/94/77/823469477.db2.gz YEVQXZIFLARZIG-PNCHPQGNSA-N 1 1 398.522 4.245 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C4CC4)ccn3)CC[N@H+]2C2CC2)c1 ZINC000573255966 823471509 /nfs/dbraw/zinc/47/15/09/823471509.db2.gz SQCMJSDXANPNRF-IFMALSPDSA-N 1 1 392.503 4.067 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1nnc(-c2ccccc2)o1 ZINC000028348083 820327528 /nfs/dbraw/zinc/32/75/28/820327528.db2.gz LWVHLJMNVKHUNB-HUUCEWRRSA-N 1 1 376.460 4.497 20 0 GIADMO C[C@H](CNC(=O)N(C)Cc1ccc2ccccc2c1)[N@@H+]1CCc2sccc2C1 ZINC000028379494 820331317 /nfs/dbraw/zinc/33/13/17/820331317.db2.gz IGQMYIGHMUCTET-QGZVFWFLSA-N 1 1 393.556 4.490 20 0 GIADMO C[C@H](CNC(=O)N(C)Cc1ccc2ccccc2c1)[N@H+]1CCc2sccc2C1 ZINC000028379494 820331325 /nfs/dbraw/zinc/33/13/25/820331325.db2.gz IGQMYIGHMUCTET-QGZVFWFLSA-N 1 1 393.556 4.490 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1ccccc1F ZINC000410351718 823470701 /nfs/dbraw/zinc/47/07/01/823470701.db2.gz MVZSJMGPMCWIPB-SFHVURJKSA-N 1 1 383.511 4.242 20 0 GIADMO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1cc(Cl)ccc1Cl ZINC000028843417 820363255 /nfs/dbraw/zinc/36/32/55/820363255.db2.gz NXOXYWKMYIKLCH-UHFFFAOYSA-N 1 1 396.293 4.283 20 0 GIADMO C[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccc(OC(F)F)cc1 ZINC000028852422 820364104 /nfs/dbraw/zinc/36/41/04/820364104.db2.gz BLVVWXDLLKQFPD-UHFFFAOYSA-N 1 1 382.838 4.080 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)Cc1nc2ccccc2s1 ZINC000028888634 820367432 /nfs/dbraw/zinc/36/74/32/820367432.db2.gz SQJNDHXZOJVZRF-UHFFFAOYSA-N 1 1 389.908 4.419 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000028888634 820367443 /nfs/dbraw/zinc/36/74/43/820367443.db2.gz SQJNDHXZOJVZRF-UHFFFAOYSA-N 1 1 389.908 4.419 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)CCOc1ccccc1Cl ZINC000028901737 820369747 /nfs/dbraw/zinc/36/97/47/820369747.db2.gz ZELATZDCFRASPC-UHFFFAOYSA-N 1 1 378.925 4.401 20 0 GIADMO CO[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000410361072 823474170 /nfs/dbraw/zinc/47/41/70/823474170.db2.gz UIJULIGEPRIPQV-XXBNENTESA-N 1 1 395.547 4.105 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccccc1 ZINC000028932604 820375633 /nfs/dbraw/zinc/37/56/33/820375633.db2.gz AFDBQEIOWSVUGM-UHFFFAOYSA-N 1 1 376.884 4.208 20 0 GIADMO Cc1cccc2oc(CC[NH2+][C@@H](c3ccn(C)n3)c3ccc(Cl)cc3)nc21 ZINC000410362248 823474486 /nfs/dbraw/zinc/47/44/86/823474486.db2.gz UQJWRRQSTNCWBU-OAQYLSRUSA-N 1 1 380.879 4.445 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)C3(c4ccc(F)cc4)CCC3)cc2)CC1 ZINC000058954370 823475339 /nfs/dbraw/zinc/47/53/39/823475339.db2.gz XRFZHEJUVXDRAI-UHFFFAOYSA-N 1 1 395.522 4.024 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1cccc(F)c1 ZINC000410364518 823475484 /nfs/dbraw/zinc/47/54/84/823475484.db2.gz ATXITUXUJPYIIO-SFHVURJKSA-N 1 1 383.511 4.242 20 0 GIADMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000029150166 820399732 /nfs/dbraw/zinc/39/97/32/820399732.db2.gz JKVYETLEZMFMJS-HNNXBMFYSA-N 1 1 380.410 4.352 20 0 GIADMO Cc1cccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000029150166 820399744 /nfs/dbraw/zinc/39/97/44/820399744.db2.gz JKVYETLEZMFMJS-HNNXBMFYSA-N 1 1 380.410 4.352 20 0 GIADMO CC[N@H+](CCOc1ccc2ccccc2c1)CC(=O)Nc1ccccc1OC ZINC000029173409 820405309 /nfs/dbraw/zinc/40/53/09/820405309.db2.gz NGYXKLZMTNKDBE-UHFFFAOYSA-N 1 1 378.472 4.188 20 0 GIADMO CC[N@@H+](CCOc1ccc2ccccc2c1)CC(=O)Nc1ccccc1OC ZINC000029173409 820405318 /nfs/dbraw/zinc/40/53/18/820405318.db2.gz NGYXKLZMTNKDBE-UHFFFAOYSA-N 1 1 378.472 4.188 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCOc1ccc2ccccc2c1 ZINC000029173012 820405532 /nfs/dbraw/zinc/40/55/32/820405532.db2.gz DBRMHXVDUZVSBZ-UHFFFAOYSA-N 1 1 398.890 4.451 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCOc1ccc2ccccc2c1 ZINC000029173012 820405535 /nfs/dbraw/zinc/40/55/35/820405535.db2.gz DBRMHXVDUZVSBZ-UHFFFAOYSA-N 1 1 398.890 4.451 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CCO4)cc2)C1 ZINC000410366050 823476297 /nfs/dbraw/zinc/47/62/97/823476297.db2.gz GFBUOXRLAZJNPZ-KRWDZBQOSA-N 1 1 379.504 4.175 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000058965164 823476795 /nfs/dbraw/zinc/47/67/95/823476795.db2.gz LOPDPWWJRYAKEV-IBGZPJMESA-N 1 1 384.564 4.299 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000058966214 823476799 /nfs/dbraw/zinc/47/67/99/823476799.db2.gz OLVKXCYFENGGCX-INIZCTEOSA-N 1 1 396.959 4.379 20 0 GIADMO O=C(c1ncoc1-c1ccccc1Cl)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460680466 823476858 /nfs/dbraw/zinc/47/68/58/823476858.db2.gz SICOBCCCULIQLN-UHFFFAOYSA-N 1 1 395.890 4.343 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000410369849 823477773 /nfs/dbraw/zinc/47/77/73/823477773.db2.gz GCKJVRQSNRKKMS-QHCPKHFHSA-N 1 1 379.548 4.444 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(-n2cccn2)cc1 ZINC000410371647 823478784 /nfs/dbraw/zinc/47/87/84/823478784.db2.gz GILHSRSSFXCSOA-UHFFFAOYSA-N 1 1 377.492 4.034 20 0 GIADMO CSc1ccccc1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410375074 823479898 /nfs/dbraw/zinc/47/98/98/823479898.db2.gz ZJCOGLOCNDKQTA-CALCHBBNSA-N 1 1 399.560 4.339 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)C1 ZINC000177517028 823480650 /nfs/dbraw/zinc/48/06/50/823480650.db2.gz DZUBGLMTXDDTAY-KRWDZBQOSA-N 1 1 383.492 4.293 20 0 GIADMO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@@H]1CCc2ccccc21 ZINC000029490183 820463419 /nfs/dbraw/zinc/46/34/19/820463419.db2.gz HCHXAACNNDOIQO-XMMPIXPASA-N 1 1 385.511 4.403 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000029597670 820481844 /nfs/dbraw/zinc/48/18/44/820481844.db2.gz SKULHHJPYILSGM-GMAHTHKFSA-N 1 1 384.495 4.485 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000029597670 820481848 /nfs/dbraw/zinc/48/18/48/820481848.db2.gz SKULHHJPYILSGM-GMAHTHKFSA-N 1 1 384.495 4.485 20 0 GIADMO CC(C)C[C@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000573345414 823482362 /nfs/dbraw/zinc/48/23/62/823482362.db2.gz VTEVDQLCIGAKNB-PMACEKPBSA-N 1 1 386.927 4.178 20 0 GIADMO CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1OC ZINC000029634501 820488845 /nfs/dbraw/zinc/48/88/45/820488845.db2.gz XPYCKDWVELLUKA-UHFFFAOYSA-N 1 1 389.521 4.179 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000029638948 820489666 /nfs/dbraw/zinc/48/96/66/820489666.db2.gz FOGCQIICLAPSNJ-UHFFFAOYSA-N 1 1 399.495 4.301 20 0 GIADMO CCC(CC)[C@H](C(=O)N1CCC(c2c[nH]c3ccccc32)CC1)[NH+]1CCOCC1 ZINC000460693380 823482555 /nfs/dbraw/zinc/48/25/55/823482555.db2.gz VMSKGVCHVYUGIA-HSZRJFAPSA-N 1 1 397.563 4.011 20 0 GIADMO CCOc1ccccc1CCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029636957 820489773 /nfs/dbraw/zinc/48/97/73/820489773.db2.gz XBBINYFVPOVZFY-UHFFFAOYSA-N 1 1 387.549 4.489 20 0 GIADMO Clc1cc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)ccc1Br ZINC000189724431 823482847 /nfs/dbraw/zinc/48/28/47/823482847.db2.gz GURSHFZCFJMILF-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO Clc1cc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)ccc1Br ZINC000189724431 823482849 /nfs/dbraw/zinc/48/28/49/823482849.db2.gz GURSHFZCFJMILF-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCCc2ccccc21 ZINC000029702596 820500943 /nfs/dbraw/zinc/50/09/43/820500943.db2.gz UQXIULUOQBXTIA-PZJWPPBQSA-N 1 1 382.467 4.233 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177533074 823484315 /nfs/dbraw/zinc/48/43/15/823484315.db2.gz IYNDVJFQZZMTSP-AVRDEDQJSA-N 1 1 388.515 4.306 20 0 GIADMO O=C(c1cc2ccccc2cc1O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029773278 820514449 /nfs/dbraw/zinc/51/44/49/820514449.db2.gz BHRWOKSFRVGGED-UHFFFAOYSA-N 1 1 378.447 4.033 20 0 GIADMO O=C(c1cc2ccccc2cc1O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029773278 820514451 /nfs/dbraw/zinc/51/44/51/820514451.db2.gz BHRWOKSFRVGGED-UHFFFAOYSA-N 1 1 378.447 4.033 20 0 GIADMO C[N@@H+]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC000029803403 820521827 /nfs/dbraw/zinc/52/18/27/820521827.db2.gz VIFCPYHGWPBUTH-IBGZPJMESA-N 1 1 377.315 4.441 20 0 GIADMO C[N@H+]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC000029803403 820521830 /nfs/dbraw/zinc/52/18/30/820521830.db2.gz VIFCPYHGWPBUTH-IBGZPJMESA-N 1 1 377.315 4.441 20 0 GIADMO CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029810611 820522810 /nfs/dbraw/zinc/52/28/10/820522810.db2.gz LVMLQXQRWHAFND-IBGZPJMESA-N 1 1 387.321 4.027 20 0 GIADMO CSCC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1nnc2ccccn21 ZINC000123256603 823486222 /nfs/dbraw/zinc/48/62/22/823486222.db2.gz FSVGCCHSDKDUIX-HNNXBMFYSA-N 1 1 396.438 4.212 20 0 GIADMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029824796 820524963 /nfs/dbraw/zinc/52/49/63/820524963.db2.gz GHZBZPYNSRPLBQ-GOSISDBHSA-N 1 1 377.488 4.449 20 0 GIADMO COc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)o2)cc1 ZINC000029827708 820526696 /nfs/dbraw/zinc/52/66/96/820526696.db2.gz BWZWFPUTENDCOF-INIZCTEOSA-N 1 1 390.443 4.266 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000029829926 820527336 /nfs/dbraw/zinc/52/73/36/820527336.db2.gz FZDMBOSTPKGYHS-WMZHIEFXSA-N 1 1 389.499 4.275 20 0 GIADMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000029829926 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GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000060425940 823525901 /nfs/dbraw/zinc/52/59/01/823525901.db2.gz VHBPXDNSJGTOQH-GPZRYRNASA-N 1 1 393.487 4.299 20 0 GIADMO CC(C)C(=O)N1CCC[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000123615124 823526223 /nfs/dbraw/zinc/52/62/23/823526223.db2.gz UOUGPRWEJRLLDH-UHFFFAOYSA-N 1 1 384.495 4.095 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000177794627 823526884 /nfs/dbraw/zinc/52/68/84/823526884.db2.gz FUOLTOTZWWSRCN-MRXNPFEDSA-N 1 1 379.495 4.151 20 0 GIADMO O=C(NCc1nc(C2CC2)cs1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000123627854 823527264 /nfs/dbraw/zinc/52/72/64/823527264.db2.gz GDHCFTGYVSXXGU-YQQQUEKLSA-N 1 1 396.560 4.015 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)NCc4cccs4)CC3)c2c1 ZINC000123688029 823531677 /nfs/dbraw/zinc/53/16/77/823531677.db2.gz UKCUHLKJSKNEJT-OAHLLOKOSA-N 1 1 395.528 4.032 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)NCc4cccs4)CC3)c2c1 ZINC000123688029 823531680 /nfs/dbraw/zinc/53/16/80/823531680.db2.gz UKCUHLKJSKNEJT-OAHLLOKOSA-N 1 1 395.528 4.032 20 0 GIADMO CCOc1ccccc1OCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000060475263 823532246 /nfs/dbraw/zinc/53/22/46/823532246.db2.gz IITBGDLVGDGDSH-LJQANCHMSA-N 1 1 396.531 4.155 20 0 GIADMO CN(C)C(=O)c1cccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000060481922 823532809 /nfs/dbraw/zinc/53/28/09/823532809.db2.gz OFAMUQHOQAJXCU-UHFFFAOYSA-N 1 1 384.907 4.137 20 0 GIADMO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060482994 823533138 /nfs/dbraw/zinc/53/31/38/823533138.db2.gz ONDRLEYCWWRCHF-MRXNPFEDSA-N 1 1 376.928 4.026 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000041106766 821170428 /nfs/dbraw/zinc/17/04/28/821170428.db2.gz ONDLDQMJRKGGDY-INIZCTEOSA-N 1 1 380.460 4.145 20 0 GIADMO Cc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000041315213 821182330 /nfs/dbraw/zinc/18/23/30/821182330.db2.gz UPTCWBLUTFZVHC-UHFFFAOYSA-N 1 1 384.545 4.062 20 0 GIADMO C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CCN1C ZINC000123742126 823536443 /nfs/dbraw/zinc/53/64/43/823536443.db2.gz SQPHZIZBAHPNMB-OALUTQOASA-N 1 1 381.520 4.222 20 0 GIADMO COCCC1(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000123757885 823537995 /nfs/dbraw/zinc/53/79/95/823537995.db2.gz FBMINXWUOXAMAJ-APWZRJJASA-N 1 1 396.934 4.185 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000177863411 823538108 /nfs/dbraw/zinc/53/81/08/823538108.db2.gz OGJYBPPIUVIQGB-DLBZAZTESA-N 1 1 386.565 4.163 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000123791181 823541111 /nfs/dbraw/zinc/54/11/11/823541111.db2.gz IKRIOHZTGPUAIY-WMZOPIPTSA-N 1 1 379.529 4.421 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000177864505 823538343 /nfs/dbraw/zinc/53/83/43/823538343.db2.gz FXQWPCFXYIQKTI-BEFAXECRSA-N 1 1 391.968 4.474 20 0 GIADMO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000123765056 823538641 /nfs/dbraw/zinc/53/86/41/823538641.db2.gz NIAJDZXFZKFPDR-QGZVFWFLSA-N 1 1 388.556 4.079 20 0 GIADMO CC(C)c1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c(C(C)C)c1 ZINC000190112574 823538744 /nfs/dbraw/zinc/53/87/44/823538744.db2.gz MEPSYLDYLYKPNB-QGZVFWFLSA-N 1 1 375.557 4.242 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+](C)C(C)C)c2C2CC2)cc1Cl ZINC000041929371 821246241 /nfs/dbraw/zinc/24/62/41/821246241.db2.gz JCEWEZYXYHJMRV-UHFFFAOYSA-N 1 1 388.943 4.172 20 0 GIADMO COCc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123768089 823539106 /nfs/dbraw/zinc/53/91/06/823539106.db2.gz VALICNFLRSNEPB-PXNSSMCTSA-N 1 1 390.886 4.048 20 0 GIADMO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132466 821271828 /nfs/dbraw/zinc/27/18/28/821271828.db2.gz LXHRLKAGQJHERQ-RDJZCZTQSA-N 1 1 397.906 4.366 20 0 GIADMO CCC[C@@H](NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000042860122 821339733 /nfs/dbraw/zinc/33/97/33/821339733.db2.gz ODMVXPVFBVIOAX-VWNXMTODSA-N 1 1 380.532 4.090 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)C2CC2)cc1 ZINC000042354956 821303793 /nfs/dbraw/zinc/30/37/93/821303793.db2.gz HJAYBGPXKBQSQC-ISKFKSNPSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)C2CC2)cc1 ZINC000042354956 821303800 /nfs/dbraw/zinc/30/38/00/821303800.db2.gz HJAYBGPXKBQSQC-ISKFKSNPSA-N 1 1 394.515 4.108 20 0 GIADMO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000042563725 821310081 /nfs/dbraw/zinc/31/00/81/821310081.db2.gz AEGLRIJXVGAASB-KRWDZBQOSA-N 1 1 384.545 4.417 20 0 GIADMO COc1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000042742734 821329852 /nfs/dbraw/zinc/32/98/52/821329852.db2.gz CVPHBNYTSHBOLG-UHFFFAOYSA-N 1 1 399.878 4.308 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000043086631 821359597 /nfs/dbraw/zinc/35/95/97/821359597.db2.gz YIZLVTIYYWHVDS-UHFFFAOYSA-N 1 1 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1 1 388.581 4.237 20 0 GIADMO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(I)cc1 ZINC000181367997 821791531 /nfs/dbraw/zinc/79/15/31/821791531.db2.gz SRSIUFJPQQHFFA-SNVBAGLBSA-N 1 1 384.286 4.476 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370275 821792426 /nfs/dbraw/zinc/79/24/26/821792426.db2.gz QONUYCGCHSNEAX-CTNGQTDRSA-N 1 1 390.886 4.067 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370275 821792430 /nfs/dbraw/zinc/79/24/30/821792430.db2.gz QONUYCGCHSNEAX-CTNGQTDRSA-N 1 1 390.886 4.067 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181415835 821813554 /nfs/dbraw/zinc/81/35/54/821813554.db2.gz PEBNTWZXZAQQAL-INIZCTEOSA-N 1 1 380.488 4.266 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1)c1cccs1 ZINC000181417144 821815176 /nfs/dbraw/zinc/81/51/76/821815176.db2.gz ODGBUDPELGJFQO-MSOLQXFVSA-N 1 1 386.565 4.420 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1)c1cccs1 ZINC000181417144 821815183 /nfs/dbraw/zinc/81/51/83/821815183.db2.gz ODGBUDPELGJFQO-MSOLQXFVSA-N 1 1 386.565 4.420 20 0 GIADMO Cc1cccc(-c2nc(CC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)c1 ZINC000181430255 821822911 /nfs/dbraw/zinc/82/29/11/821822911.db2.gz DLCGSJQDFUWBSV-PKOBYXMFSA-N 1 1 397.588 4.430 20 0 GIADMO COC[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc(F)c(F)c1 ZINC000181436806 821826417 /nfs/dbraw/zinc/82/64/17/821826417.db2.gz ICBFYICMAWBNCG-SFHVURJKSA-N 1 1 380.460 4.216 20 0 GIADMO Cn1c(C[NH2+]C2(c3ccc(Br)cc3)CCC2)nnc1C1CCC1 ZINC000181444951 821828928 /nfs/dbraw/zinc/82/89/28/821828928.db2.gz QQGLABPHIZQLAA-UHFFFAOYSA-N 1 1 375.314 4.014 20 0 GIADMO C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+](C)CCc1ccncc1 ZINC000181446395 821829937 /nfs/dbraw/zinc/82/99/37/821829937.db2.gz LKKVERVGNLAVSP-QGZVFWFLSA-N 1 1 395.503 4.015 20 0 GIADMO C[C@H](NC(=O)c1cc(Br)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181450292 821831265 /nfs/dbraw/zinc/83/12/65/821831265.db2.gz DJVZKXFZCGFRGH-STQMWFEESA-N 1 1 399.760 4.485 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181451877 821831825 /nfs/dbraw/zinc/83/18/25/821831825.db2.gz ONRISTFWWKZFNI-GOEBONIOSA-N 1 1 387.549 4.023 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+](C)CCc1ccncc1 ZINC000181451939 821832055 /nfs/dbraw/zinc/83/20/55/821832055.db2.gz RBTQTTYBIIHDAG-UONOGXRCSA-N 1 1 380.319 4.129 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c(Br)c1 ZINC000181453169 821832290 /nfs/dbraw/zinc/83/22/90/821832290.db2.gz IOKGGPMUNCTDIW-AWEZNQCLSA-N 1 1 386.293 4.494 20 0 GIADMO C[C@@H](NC(=O)CCCOc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181453744 821832643 /nfs/dbraw/zinc/83/26/43/821832643.db2.gz YSPMLYSHNNVNKM-IAGOWNOFSA-N 1 1 378.944 4.268 20 0 GIADMO CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000181456448 821834336 /nfs/dbraw/zinc/83/43/36/821834336.db2.gz HZYVEGVBQNISCX-GOSISDBHSA-N 1 1 392.547 4.301 20 0 GIADMO Cc1ccc([C@@H](OC[C@H](O)C[N@@H+](C)CCc2ccncc2)c2ccccc2)cc1 ZINC000181459937 821835947 /nfs/dbraw/zinc/83/59/47/821835947.db2.gz VMJAAIZYZPROKO-RPBOFIJWSA-N 1 1 390.527 4.031 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+](C)CCc1ccncc1 ZINC000181475523 821842886 /nfs/dbraw/zinc/84/28/86/821842886.db2.gz GPSSHABNTLYUGD-IBGZPJMESA-N 1 1 389.499 4.162 20 0 GIADMO O=C(Cc1ccsc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181492120 821851176 /nfs/dbraw/zinc/85/11/76/821851176.db2.gz NZBLWCBIODKQIG-UHFFFAOYSA-N 1 1 383.344 4.378 20 0 GIADMO CSC[C@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181495547 821852555 /nfs/dbraw/zinc/85/25/55/821852555.db2.gz LNGXGCKZDFRUPG-LBPRGKRZSA-N 1 1 375.365 4.073 20 0 GIADMO COCCC[C@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181498853 821855047 /nfs/dbraw/zinc/85/50/47/821855047.db2.gz KRIBIRGLPKQGMZ-AWEZNQCLSA-N 1 1 387.351 4.137 20 0 GIADMO Cc1ccc(Br)c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181505656 821857899 /nfs/dbraw/zinc/85/78/99/821857899.db2.gz FEKGOLIADTVMIQ-HUUCEWRRSA-N 1 1 379.342 4.140 20 0 GIADMO Cc1cccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1Br ZINC000181506188 821858574 /nfs/dbraw/zinc/85/85/74/821858574.db2.gz JGUKRSKNSCNVDG-GJZGRUSLSA-N 1 1 379.342 4.140 20 0 GIADMO C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181509264 821860064 /nfs/dbraw/zinc/86/00/64/821860064.db2.gz WQXIDFRKEHBKPG-KGLIPLIRSA-N 1 1 385.335 4.141 20 0 GIADMO Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC000181517768 821863461 /nfs/dbraw/zinc/86/34/61/821863461.db2.gz BIEWLFDADBNECH-GOEBONIOSA-N 1 1 384.524 4.037 20 0 GIADMO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181518722 821864278 /nfs/dbraw/zinc/86/42/78/821864278.db2.gz BERAWTSMSBJNPP-IEBWSBKVSA-N 1 1 381.520 4.043 20 0 GIADMO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@H](C)[C@@H](C)c3ccccc3)s2)cc1 ZINC000181522900 821866074 /nfs/dbraw/zinc/86/60/74/821866074.db2.gz CQQAZGKCWMQGBI-IAGOWNOFSA-N 1 1 394.544 4.058 20 0 GIADMO Cc1cc(Br)ccc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181540059 821873499 /nfs/dbraw/zinc/87/34/99/821873499.db2.gz PSGDHNQRXMDFHU-DOTOQJQBSA-N 1 1 393.369 4.069 20 0 GIADMO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ncc(Br)s1 ZINC000181591423 821893273 /nfs/dbraw/zinc/89/32/73/821893273.db2.gz YYMUWLVVSZLACR-CHWSQXEVSA-N 1 1 395.370 4.177 20 0 GIADMO O=c1cc(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)nc2sccn21 ZINC000181595750 821895711 /nfs/dbraw/zinc/89/57/11/821895711.db2.gz PPWDKWWDIIFGQY-IBGZPJMESA-N 1 1 395.915 4.483 20 0 GIADMO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(OC)cc2Br)c1 ZINC000181600291 821897293 /nfs/dbraw/zinc/89/72/93/821897293.db2.gz DMFYXBOEHSMBKT-CYBMUJFWSA-N 1 1 391.309 4.058 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)c(OC)c1 ZINC000181613700 821904651 /nfs/dbraw/zinc/90/46/51/821904651.db2.gz GNSRDOPQUSHYRB-FQEVSTJZSA-N 1 1 392.446 4.298 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2F)C2CC2)n1 ZINC000181620019 821906819 /nfs/dbraw/zinc/90/68/19/821906819.db2.gz VDPSGIMFJHWNAS-HNNXBMFYSA-N 1 1 398.301 4.033 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000181625235 821909414 /nfs/dbraw/zinc/90/94/14/821909414.db2.gz MYVMKFFDGSUNHS-QGZVFWFLSA-N 1 1 379.913 4.101 20 0 GIADMO C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181628265 821911827 /nfs/dbraw/zinc/91/18/27/821911827.db2.gz AHYPKYJNZOELCR-VQIMIIECSA-N 1 1 380.532 4.233 20 0 GIADMO C[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181635278 821915178 /nfs/dbraw/zinc/91/51/78/821915178.db2.gz QAHIQHLRKFCIKM-STQMWFEESA-N 1 1 386.870 4.324 20 0 GIADMO C[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181635258 821915261 /nfs/dbraw/zinc/91/52/61/821915261.db2.gz QAHIQHLRKFCIKM-CHWSQXEVSA-N 1 1 386.870 4.324 20 0 GIADMO Cc1sc2[nH]c(C[NH2+][C@H](c3ccc(F)cc3F)C(C)C)nc(=O)c2c1C ZINC000181654202 821925017 /nfs/dbraw/zinc/92/50/17/821925017.db2.gz VALKKINFQCHMQX-KRWDZBQOSA-N 1 1 377.460 4.367 20 0 GIADMO CC[C@H]([NH2+]C1CCN(CCCOC)CC1)c1cc(F)cc(Br)c1 ZINC000181660428 821928329 /nfs/dbraw/zinc/92/83/29/821928329.db2.gz DLNLHFQEFCCQSA-SFHVURJKSA-N 1 1 387.337 4.130 20 0 GIADMO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1cc(F)cc(Br)c1 ZINC000181660428 821928335 /nfs/dbraw/zinc/92/83/35/821928335.db2.gz DLNLHFQEFCCQSA-SFHVURJKSA-N 1 1 387.337 4.130 20 0 GIADMO CCC[C@H]([NH2+]CC(=O)Nc1cc(OC)ccc1OC)c1ccc(F)cc1F ZINC000181666758 821932593 /nfs/dbraw/zinc/93/25/93/821932593.db2.gz HGTQFIDUFYSCAD-KRWDZBQOSA-N 1 1 378.419 4.052 20 0 GIADMO COc1ccc(-c2cncc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)cc1 ZINC000181670711 821936389 /nfs/dbraw/zinc/93/63/89/821936389.db2.gz BGVIHFJBVVCCHE-MJGOQNOKSA-N 1 1 393.531 4.140 20 0 GIADMO Cc1cc2cc(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)oc2c(Br)c1 ZINC000181757317 821978857 /nfs/dbraw/zinc/97/88/57/821978857.db2.gz YHPADACIYKRQPX-BBRMVZONSA-N 1 1 391.309 4.060 20 0 GIADMO CS(=O)(=O)C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000181798347 821996867 /nfs/dbraw/zinc/99/68/67/821996867.db2.gz FVZKWXUVDPFIJN-HSZRJFAPSA-N 1 1 395.524 4.141 20 0 GIADMO CC[C@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccc(OC)cc1 ZINC000181805677 822000345 /nfs/dbraw/zinc/00/03/45/822000345.db2.gz LQPBCCMIAAKTGI-INIZCTEOSA-N 1 1 377.366 4.403 20 0 GIADMO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2ccc(OC)cc2Br)cc1 ZINC000181911594 822034954 /nfs/dbraw/zinc/03/49/54/822034954.db2.gz FLEBMHHQNQHEMO-YJYMSZOUSA-N 1 1 394.309 4.241 20 0 GIADMO Cc1cc(C)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(Cl)n1 ZINC000181987918 822054641 /nfs/dbraw/zinc/05/46/41/822054641.db2.gz VMGKJLXJIYPNPN-YQQQUEKLSA-N 1 1 383.923 4.277 20 0 GIADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000182006818 822059971 /nfs/dbraw/zinc/05/99/71/822059971.db2.gz AEBGPNCDFSDGCV-DLBZAZTESA-N 1 1 395.507 4.013 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c(Br)c1 ZINC000182006197 822060157 /nfs/dbraw/zinc/06/01/57/822060157.db2.gz ILMGTVUFVPKYGS-AMXDTQDGSA-N 1 1 382.323 4.046 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(Nc2ccccc2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182011098 822061193 /nfs/dbraw/zinc/06/11/93/822061193.db2.gz KJAASBZJNTWJKZ-OAHLLOKOSA-N 1 1 376.489 4.318 20 0 GIADMO C[C@H]([NH2+]Cc1csc(Nc2ccccc2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182011076 822061527 /nfs/dbraw/zinc/06/15/27/822061527.db2.gz KJAASBZJNTWJKZ-HNNXBMFYSA-N 1 1 376.489 4.318 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000182011996 822061653 /nfs/dbraw/zinc/06/16/53/822061653.db2.gz VURNPFONKWFDSC-MRXNPFEDSA-N 1 1 392.330 4.373 20 0 GIADMO CC(=O)N1CC[N@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C(C)(C)C1 ZINC000182085268 822087003 /nfs/dbraw/zinc/08/70/03/822087003.db2.gz LABIOJUEPUPDJH-UHFFFAOYSA-N 1 1 399.922 4.035 20 0 GIADMO CC(=O)N1CC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C(C)(C)C1 ZINC000182085268 822087011 /nfs/dbraw/zinc/08/70/11/822087011.db2.gz LABIOJUEPUPDJH-UHFFFAOYSA-N 1 1 399.922 4.035 20 0 GIADMO CC(C)(C)OC(=O)CCC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000182086822 822088058 /nfs/dbraw/zinc/08/80/58/822088058.db2.gz WZJWXPYISCCSEC-UHFFFAOYSA-N 1 1 395.931 4.002 20 0 GIADMO CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1OC ZINC000182093478 822091197 /nfs/dbraw/zinc/09/11/97/822091197.db2.gz HALBIJAUFQGQIA-MRXNPFEDSA-N 1 1 391.943 4.326 20 0 GIADMO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)c1 ZINC000182129052 822107817 /nfs/dbraw/zinc/10/78/17/822107817.db2.gz VYIJGLPMCARTEN-HOTGVXAUSA-N 1 1 392.931 4.169 20 0 GIADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)c3ccccn3)[C@@H](c3ccco3)C2)cc1 ZINC000182172555 822131065 /nfs/dbraw/zinc/13/10/65/822131065.db2.gz DBCPNUTVFMLLTR-DYESRHJHSA-N 1 1 388.471 4.012 20 0 GIADMO CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000182175639 822133051 /nfs/dbraw/zinc/13/30/51/822133051.db2.gz PDXCZJVEAJOWEZ-JXFKEZNVSA-N 1 1 399.535 4.123 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3c3cccn3C)co2)cc1 ZINC000182208383 822147777 /nfs/dbraw/zinc/14/77/77/822147777.db2.gz HGSUVNIAZYJFQH-FQEVSTJZSA-N 1 1 379.460 4.194 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3c3cccn3C)co2)cc1 ZINC000182208383 822147781 /nfs/dbraw/zinc/14/77/81/822147781.db2.gz HGSUVNIAZYJFQH-FQEVSTJZSA-N 1 1 379.460 4.194 20 0 GIADMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000182212228 822149880 /nfs/dbraw/zinc/14/98/80/822149880.db2.gz UQNGEYPHEYBLTQ-UHFFFAOYSA-N 1 1 383.876 4.080 20 0 GIADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(Cl)s1 ZINC000182215609 822151414 /nfs/dbraw/zinc/15/14/14/822151414.db2.gz MVQDWSBPSJTTGN-UHFFFAOYSA-N 1 1 375.881 4.054 20 0 GIADMO COc1cccc2cc([C@@H](C)NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)oc21 ZINC000182237420 822161157 /nfs/dbraw/zinc/16/11/57/822161157.db2.gz BCIPPXRWIHTGCP-DYESRHJHSA-N 1 1 394.515 4.249 20 0 GIADMO COc1cccc2cc([C@@H](C)NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)oc21 ZINC000182237420 822161158 /nfs/dbraw/zinc/16/11/58/822161158.db2.gz BCIPPXRWIHTGCP-DYESRHJHSA-N 1 1 394.515 4.249 20 0 GIADMO CCc1c2ccccc2oc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182261645 822175374 /nfs/dbraw/zinc/17/53/74/822175374.db2.gz RFWPJVMEPXXPDO-XLIONFOSSA-N 1 1 378.516 4.413 20 0 GIADMO CCc1c2ccccc2oc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182261645 822175378 /nfs/dbraw/zinc/17/53/78/822175378.db2.gz RFWPJVMEPXXPDO-XLIONFOSSA-N 1 1 378.516 4.413 20 0 GIADMO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1OC(F)(F)F ZINC000182263142 822175836 /nfs/dbraw/zinc/17/58/36/822175836.db2.gz RFWPCDSHGQPNBE-YJBOKZPZSA-N 1 1 394.437 4.003 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)(F)F ZINC000182263142 822175843 /nfs/dbraw/zinc/17/58/43/822175843.db2.gz RFWPCDSHGQPNBE-YJBOKZPZSA-N 1 1 394.437 4.003 20 0 GIADMO COc1cc(-c2nc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)cs2)ccc1O ZINC000182296956 822192231 /nfs/dbraw/zinc/19/22/31/822192231.db2.gz RRWFLIGTQPGTFX-GFCCVEGCSA-N 1 1 384.457 4.104 20 0 GIADMO CC[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000182310246 822198136 /nfs/dbraw/zinc/19/81/36/822198136.db2.gz LCCDTLLNGCCOBB-HOTGVXAUSA-N 1 1 381.701 4.370 20 0 GIADMO C[C@@H](NC(=O)NCc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182353210 822211814 /nfs/dbraw/zinc/21/18/14/822211814.db2.gz ZWIVZGAKNHFVPL-ZBFHGGJFSA-N 1 1 383.458 4.158 20 0 GIADMO CC(C)CCOc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000182387451 822225114 /nfs/dbraw/zinc/22/51/14/822225114.db2.gz JUDGEEHGGJGNFI-QHCPKHFHSA-N 1 1 396.531 4.248 20 0 GIADMO CC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1c(C)noc1C ZINC000182415559 822235234 /nfs/dbraw/zinc/23/52/34/822235234.db2.gz IQYXAAQIKLDABK-AWEZNQCLSA-N 1 1 381.270 4.066 20 0 GIADMO C[C@@H]([NH2+]CC1(CN[C@@H](C)c2cccc(F)c2F)COC1)c1cccc(F)c1F ZINC000182444730 822245332 /nfs/dbraw/zinc/24/53/32/822245332.db2.gz NGLPEGRRZDMFHO-OKILXGFUSA-N 1 1 396.428 4.261 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](CC)c2c(C)noc2C)cc1 ZINC000182467010 822254718 /nfs/dbraw/zinc/25/47/18/822254718.db2.gz AGRZKQVWPCKFLT-PMACEKPBSA-N 1 1 385.508 4.095 20 0 GIADMO COCc1ccsc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000182476803 822257377 /nfs/dbraw/zinc/25/73/77/822257377.db2.gz HAVWVQTWAQRPSH-AZUAARDMSA-N 1 1 384.545 4.021 20 0 GIADMO C[C@@H]1C[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@H]2CCCC[C@H]12 ZINC000182476858 822257449 /nfs/dbraw/zinc/25/74/49/822257449.db2.gz VCYIOOJIQJLVLM-ZMYBRWDISA-N 1 1 390.574 4.224 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)[C@H]2CCCC[C@H]12 ZINC000182476858 822257455 /nfs/dbraw/zinc/25/74/55/822257455.db2.gz VCYIOOJIQJLVLM-ZMYBRWDISA-N 1 1 390.574 4.224 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1c(C)noc1C ZINC000182478748 822258527 /nfs/dbraw/zinc/25/85/27/822258527.db2.gz PBWTZHOINNROSZ-GOSISDBHSA-N 1 1 375.488 4.299 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c(C(F)(F)F)c1 ZINC000182486279 822262210 /nfs/dbraw/zinc/26/22/10/822262210.db2.gz KSAHNKXLSVBKMT-PNPHSEOMSA-N 1 1 397.441 4.113 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000177995599 822275551 /nfs/dbraw/zinc/27/55/51/822275551.db2.gz CSVCJZQXQIUIGZ-ROUUACIJSA-N 1 1 381.442 4.314 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000177995599 822275560 /nfs/dbraw/zinc/27/55/60/822275560.db2.gz CSVCJZQXQIUIGZ-ROUUACIJSA-N 1 1 381.442 4.314 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000177997387 822275927 /nfs/dbraw/zinc/27/59/27/822275927.db2.gz PSSXXMOOYVVQGG-JTHBVZDNSA-N 1 1 376.500 4.396 20 0 GIADMO Cc1cccc(C[NH+](CCC(=O)Nc2cccc(F)c2)Cc2cccc(C)n2)n1 ZINC000177999003 822276683 /nfs/dbraw/zinc/27/66/83/822276683.db2.gz LKHVWAAFWSFYJE-UHFFFAOYSA-N 1 1 392.478 4.264 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000182519172 822279417 /nfs/dbraw/zinc/27/94/17/822279417.db2.gz ZQCLGWJCYOSOLQ-IFXJQAMLSA-N 1 1 375.900 4.023 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccnc2Oc2cccc(C)c2C)C1 ZINC000178018983 822284487 /nfs/dbraw/zinc/28/44/87/822284487.db2.gz ZHUSHMQZGAYUJA-GOSISDBHSA-N 1 1 382.508 4.296 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2CN2CCc3ccccc32)C1 ZINC000178019179 822285175 /nfs/dbraw/zinc/28/51/75/822285175.db2.gz FZWSLPQQONNKRC-LJQANCHMSA-N 1 1 392.547 4.055 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1 ZINC000178021547 822286394 /nfs/dbraw/zinc/28/63/94/822286394.db2.gz PZXZIXYWZVVIJX-OAHLLOKOSA-N 1 1 379.932 4.467 20 0 GIADMO Brc1ccc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccco2)cc1 ZINC000182541336 822292368 /nfs/dbraw/zinc/29/23/68/822292368.db2.gz WQTNRVIECHREEL-KUHUBIRLSA-N 1 1 375.310 4.205 20 0 GIADMO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178054390 822302444 /nfs/dbraw/zinc/30/24/44/822302444.db2.gz GEPNMYHFLNAPFX-JKSUJKDBSA-N 1 1 396.516 4.001 20 0 GIADMO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178054390 822302449 /nfs/dbraw/zinc/30/24/49/822302449.db2.gz GEPNMYHFLNAPFX-JKSUJKDBSA-N 1 1 396.516 4.001 20 0 GIADMO C[C@H](NC(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182561394 822303183 /nfs/dbraw/zinc/30/31/83/822303183.db2.gz GHWDSODWURUESR-XHRGMSINSA-N 1 1 399.579 4.107 20 0 GIADMO COc1cc([C@H](C)Nc2ccc([NH+]3CCCC3)cc2C)ccc1S(C)(=O)=O ZINC000182563709 822304890 /nfs/dbraw/zinc/30/48/90/822304890.db2.gz GCXVJNMWQYKHAS-INIZCTEOSA-N 1 1 388.533 4.180 20 0 GIADMO COC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1ccc(F)c(F)c1 ZINC000182602314 822319116 /nfs/dbraw/zinc/31/91/16/822319116.db2.gz CBCKQVKESXWWGY-IBGZPJMESA-N 1 1 375.394 4.075 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000178111881 822323713 /nfs/dbraw/zinc/32/37/13/822323713.db2.gz GLUBNLQHURTRKN-AAEUAGOBSA-N 1 1 398.290 4.189 20 0 GIADMO C[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182624805 822327142 /nfs/dbraw/zinc/32/71/42/822327142.db2.gz NGFMQXXEWRTOIG-OWCLPIDISA-N 1 1 392.613 4.454 20 0 GIADMO CC[C@@H](C)[C@@H](C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccccc1 ZINC000178182556 822345133 /nfs/dbraw/zinc/34/51/33/822345133.db2.gz UJXWUDKWGRICMN-OPAMFIHVSA-N 1 1 380.536 4.008 20 0 GIADMO CC[C@H](CC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(C)cc1 ZINC000178189988 822347145 /nfs/dbraw/zinc/34/71/45/822347145.db2.gz UGXQMRZMHFOLDE-LJQANCHMSA-N 1 1 380.536 4.071 20 0 GIADMO Cc1cc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1C(C)C ZINC000178257513 822359881 /nfs/dbraw/zinc/35/98/81/822359881.db2.gz WPHUJTVNIUIERQ-KDURUIRLSA-N 1 1 389.584 4.037 20 0 GIADMO C[C@@H](N1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000178261810 822360493 /nfs/dbraw/zinc/36/04/93/822360493.db2.gz QJDGVPUVLJVTNM-CQSZACIVSA-N 1 1 398.391 4.433 20 0 GIADMO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)c2ccco2)cc1 ZINC000453427035 822361388 /nfs/dbraw/zinc/36/13/88/822361388.db2.gz ZHPOZSMZHRYPBF-BXKMTCNYSA-N 1 1 392.499 4.407 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000182756795 822362932 /nfs/dbraw/zinc/36/29/32/822362932.db2.gz NGAAKEZAOUPWMV-UXHICEINSA-N 1 1 389.588 4.021 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000182756816 822362993 /nfs/dbraw/zinc/36/29/93/822362993.db2.gz NGAAKEZAOUPWMV-WOJBJXKFSA-N 1 1 389.588 4.021 20 0 GIADMO CCOCCOCc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1C ZINC000178310811 822366108 /nfs/dbraw/zinc/36/61/08/822366108.db2.gz WOFSUDGXMLVXKX-IBGZPJMESA-N 1 1 388.552 4.141 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000178316097 822366733 /nfs/dbraw/zinc/36/67/33/822366733.db2.gz VIWRBVKIGKCRMG-MRXNPFEDSA-N 1 1 377.868 4.369 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1nccn1C ZINC000182799034 822369353 /nfs/dbraw/zinc/36/93/53/822369353.db2.gz KHGAJWDAFMRODH-MRXNPFEDSA-N 1 1 385.895 4.382 20 0 GIADMO C[C@H](NC(=O)Nc1cccc(Cl)c1N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182834002 822375238 /nfs/dbraw/zinc/37/52/38/822375238.db2.gz RETAOGKMOVIBDF-LSDHHAIUSA-N 1 1 378.948 4.181 20 0 GIADMO CC(C)CO[C@H](C)c1noc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000178397821 822375285 /nfs/dbraw/zinc/37/52/85/822375285.db2.gz BXOTTWGDDLVBFJ-YLJYHZDGSA-N 1 1 387.524 4.065 20 0 GIADMO CC(C)CO[C@H](C)c1noc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000178397821 822375289 /nfs/dbraw/zinc/37/52/89/822375289.db2.gz BXOTTWGDDLVBFJ-YLJYHZDGSA-N 1 1 387.524 4.065 20 0 GIADMO O=C(Nc1cccnc1Cl)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000178409038 822376547 /nfs/dbraw/zinc/37/65/47/822376547.db2.gz GMKWDYPQLCZMFT-KRWDZBQOSA-N 1 1 383.801 4.128 20 0 GIADMO O=C(Nc1cccnc1Cl)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000178409024 822376587 /nfs/dbraw/zinc/37/65/87/822376587.db2.gz GMKWDYPQLCZMFT-QGZVFWFLSA-N 1 1 383.801 4.128 20 0 GIADMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178429566 822378170 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4.439 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1ccccc1 ZINC000183169893 822435039 /nfs/dbraw/zinc/43/50/39/822435039.db2.gz BZCYRAQSWITMFV-UGKGYDQZSA-N 1 1 388.515 4.381 20 0 GIADMO C(=C/[C@H]1CCCCC[N@H+]1Cc1cn(Cc2cccnc2)nn1)\c1cccs1 ZINC000183171232 822435291 /nfs/dbraw/zinc/43/52/91/822435291.db2.gz ARQLUKILRFEBOR-SQUSKLHYSA-N 1 1 379.533 4.241 20 0 GIADMO C(=C/[C@H]1CCCCC[N@@H+]1Cc1cn(Cc2cccnc2)nn1)\c1cccs1 ZINC000183171232 822435293 /nfs/dbraw/zinc/43/52/93/822435293.db2.gz ARQLUKILRFEBOR-SQUSKLHYSA-N 1 1 379.533 4.241 20 0 GIADMO C[C@@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000183172708 822435489 /nfs/dbraw/zinc/43/54/89/822435489.db2.gz GEXFGGCNAOGWCY-ZNMXNXGWSA-N 1 1 399.343 4.030 20 0 GIADMO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)c1 ZINC000183181385 822436718 /nfs/dbraw/zinc/43/67/18/822436718.db2.gz HCXDRLHBUSLUAV-VBKZILBWSA-N 1 1 376.447 4.427 20 0 GIADMO COC(=O)c1oc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1C ZINC000179092155 822437252 /nfs/dbraw/zinc/43/72/52/822437252.db2.gz TVCRHBHYUXRPTN-LLVKDONJSA-N 1 1 388.411 4.230 20 0 GIADMO O=C(O[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnc(-c2ccccn2)s1 ZINC000183188816 822438227 /nfs/dbraw/zinc/43/82/27/822438227.db2.gz CHMOGEIGLWMYLD-KRWDZBQOSA-N 1 1 379.485 4.027 20 0 GIADMO O=C(O[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnc(-c2ccccn2)s1 ZINC000183188816 822438229 /nfs/dbraw/zinc/43/82/29/822438229.db2.gz CHMOGEIGLWMYLD-KRWDZBQOSA-N 1 1 379.485 4.027 20 0 GIADMO FC(F)Oc1cccc([C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CCO2)c1 ZINC000179106075 822438746 /nfs/dbraw/zinc/43/87/46/822438746.db2.gz AVOCDECHPWFTNT-HXUWFJFHSA-N 1 1 385.414 4.047 20 0 GIADMO FC(F)Oc1cccc([C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CCO2)c1 ZINC000179106075 822438748 /nfs/dbraw/zinc/43/87/48/822438748.db2.gz AVOCDECHPWFTNT-HXUWFJFHSA-N 1 1 385.414 4.047 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCC(C)(C)C(C)(C)O)C1CCCCC1 ZINC000454225574 822440877 /nfs/dbraw/zinc/44/08/77/822440877.db2.gz IVNSNYZWMZJELD-UHFFFAOYSA-N 1 1 375.557 4.370 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)C1CCCCC1 ZINC000454233236 822441725 /nfs/dbraw/zinc/44/17/25/822441725.db2.gz WWLKPZHZXHMOBD-DXIQSLLYSA-N 1 1 399.579 4.466 20 0 GIADMO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000046123678 822442465 /nfs/dbraw/zinc/44/24/65/822442465.db2.gz NIHJPACALQQXBZ-BGYRXZFFSA-N 1 1 394.563 4.291 20 0 GIADMO Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000046168523 822446338 /nfs/dbraw/zinc/44/63/38/822446338.db2.gz WXGCDYRVGISHQU-UHFFFAOYSA-N 1 1 381.451 4.041 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@@H]3c3sccc3C)CC[N@H+]2C2CC2)c1 ZINC000183241471 822446932 /nfs/dbraw/zinc/44/69/32/822446932.db2.gz AMWCMXLLSWBVPL-DOIPELPJSA-N 1 1 396.556 4.263 20 0 GIADMO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ncc(Br)s1 ZINC000179191255 822449126 /nfs/dbraw/zinc/44/91/26/822449126.db2.gz OHNHGCOOEUFINA-CHWSQXEVSA-N 1 1 384.343 4.376 20 0 GIADMO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ncc(Br)s1 ZINC000179207698 822451241 /nfs/dbraw/zinc/45/12/41/822451241.db2.gz SQWRSSZXBYWTNV-LBPRGKRZSA-N 1 1 398.345 4.360 20 0 GIADMO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ncc(Br)s1 ZINC000179223941 822453560 /nfs/dbraw/zinc/45/35/60/822453560.db2.gz BKDFYRPNRABAKG-HOCLYGCPSA-N 1 1 394.382 4.121 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)C1CC1 ZINC000454300412 822454304 /nfs/dbraw/zinc/45/43/04/822454304.db2.gz YQBUFDWVBHGSKR-UHFFFAOYSA-N 1 1 394.491 4.008 20 0 GIADMO CCc1ccc(-c2nc(C[NH+]3CCC([C@@H](O)c4nccn4C)CC3)cs2)cc1 ZINC000179246786 822456962 /nfs/dbraw/zinc/45/69/62/822456962.db2.gz XINWFXLXVOQWGZ-HXUWFJFHSA-N 1 1 396.560 4.052 20 0 GIADMO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C[C@H]1C ZINC000454323398 822458066 /nfs/dbraw/zinc/45/80/66/822458066.db2.gz UUGKBXQLEVEMLJ-WOIUINJBSA-N 1 1 387.568 4.018 20 0 GIADMO CC(C)c1ccc(-c2nc(C[NH+]3CCC(N4CCCNC4=O)CC3)cs2)cc1 ZINC000179257138 822458084 /nfs/dbraw/zinc/45/80/84/822458084.db2.gz HNXNWAYNCPDNQT-UHFFFAOYSA-N 1 1 398.576 4.313 20 0 GIADMO Cc1ccc(CN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C2CC2)o1 ZINC000046284509 822458125 /nfs/dbraw/zinc/45/81/25/822458125.db2.gz MDBUMXRQYNZLTB-HDICACEKSA-N 1 1 382.504 4.002 20 0 GIADMO Cc1ccc(CN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C2CC2)o1 ZINC000046284509 822458127 /nfs/dbraw/zinc/45/81/27/822458127.db2.gz MDBUMXRQYNZLTB-HDICACEKSA-N 1 1 382.504 4.002 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cccc(F)c1F ZINC000183318834 822458418 /nfs/dbraw/zinc/45/84/18/822458418.db2.gz MWNHOZRKBSLAGS-YHJVDBJQSA-N 1 1 380.866 4.341 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2cccs2)[C@@H]1c1ccccc1 ZINC000179264672 822458960 /nfs/dbraw/zinc/45/89/60/822458960.db2.gz OCWLRKULXDGRGV-RTWAWAEBSA-N 1 1 395.528 4.498 20 0 GIADMO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](C)[C@H](C)c3ccccc3)s2)cc1 ZINC000183351760 822462445 /nfs/dbraw/zinc/46/24/45/822462445.db2.gz IRJYYURJZPCTAX-HOTGVXAUSA-N 1 1 380.517 4.381 20 0 GIADMO CO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC000454364357 822462537 /nfs/dbraw/zinc/46/25/37/822462537.db2.gz MRKGKCVCRBEMHF-XMSQKQJNSA-N 1 1 387.568 4.018 20 0 GIADMO Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cccc1-c1ccccn1 ZINC000179325821 822466549 /nfs/dbraw/zinc/46/65/49/822466549.db2.gz CXNVHJQUGVDNAN-INIZCTEOSA-N 1 1 391.540 4.295 20 0 GIADMO Cc1c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cccc1-c1ccccn1 ZINC000179325821 822466550 /nfs/dbraw/zinc/46/65/50/822466550.db2.gz CXNVHJQUGVDNAN-INIZCTEOSA-N 1 1 391.540 4.295 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000183407309 822469619 /nfs/dbraw/zinc/46/96/19/822469619.db2.gz PTLBOWFRXVPYTN-BTYIYWSLSA-N 1 1 381.476 4.163 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046403683 822470442 /nfs/dbraw/zinc/47/04/42/822470442.db2.gz HPXQSNSOPRBUNA-UHFFFAOYSA-N 1 1 390.487 4.044 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454415621 822471880 /nfs/dbraw/zinc/47/18/80/822471880.db2.gz SYEGRFPDQXMWDG-YLJYHZDGSA-N 1 1 399.560 4.490 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)C[C@@H](C)O1 ZINC000046419111 822471896 /nfs/dbraw/zinc/47/18/96/822471896.db2.gz CHZJRXVHHUUUKV-ZIAGYGMSSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@@H](C)O1 ZINC000046431462 822472464 /nfs/dbraw/zinc/47/24/64/822472464.db2.gz VVZBNEARXAWMGA-ZIAGYGMSSA-N 1 1 376.859 4.341 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454423380 822473242 /nfs/dbraw/zinc/47/32/42/822473242.db2.gz DAOYJKVTEWYYFR-UNMCSNQZSA-N 1 1 393.531 4.081 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000183436555 822474728 /nfs/dbraw/zinc/47/47/28/822474728.db2.gz KHHNUCRQLRVNIE-LBPRGKRZSA-N 1 1 380.847 4.094 20 0 GIADMO C[C@H](NC(=O)Nc1cccc(COCC2CC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183441532 822475328 /nfs/dbraw/zinc/47/53/28/822475328.db2.gz FWCBPJFWOOQKBU-PXNSSMCTSA-N 1 1 385.552 4.388 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000183449359 822476588 /nfs/dbraw/zinc/47/65/88/822476588.db2.gz NWAZBEQAQJDWFH-GGAORHGYSA-N 1 1 391.515 4.041 20 0 GIADMO C[C@H](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000183456731 822477757 /nfs/dbraw/zinc/47/77/57/822477757.db2.gz PSSWDZPPISYPNK-QAPCUYQASA-N 1 1 388.895 4.095 20 0 GIADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccccc1COCc1ccccc1 ZINC000454472696 822480650 /nfs/dbraw/zinc/48/06/50/822480650.db2.gz AVTUUIAVQIBSBR-NRFANRHFSA-N 1 1 381.520 4.351 20 0 GIADMO CCOc1cc(C[N@H+](C)Cc2scnc2C)cc(Br)c1OC ZINC000179427813 822480986 /nfs/dbraw/zinc/48/09/86/822480986.db2.gz GFYJJQAWTLQAGM-UHFFFAOYSA-N 1 1 385.327 4.253 20 0 GIADMO CCOc1cc(C[N@@H+](C)Cc2scnc2C)cc(Br)c1OC ZINC000179427813 822480987 /nfs/dbraw/zinc/48/09/87/822480987.db2.gz GFYJJQAWTLQAGM-UHFFFAOYSA-N 1 1 385.327 4.253 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454485875 822482966 /nfs/dbraw/zinc/48/29/66/822482966.db2.gz ITZNXHSDFKVILJ-UHFFFAOYSA-N 1 1 394.519 4.243 20 0 GIADMO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC(F)F ZINC000183483611 822483233 /nfs/dbraw/zinc/48/32/33/822483233.db2.gz QDGIWSRDOIHOMZ-LSDHHAIUSA-N 1 1 381.467 4.371 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000183484828 822483629 /nfs/dbraw/zinc/48/36/29/822483629.db2.gz PGDVZIYNUDCMSZ-CHWSQXEVSA-N 1 1 394.874 4.024 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3ccn(CCOC)c3c2)c1 ZINC000179446063 822484109 /nfs/dbraw/zinc/48/41/09/822484109.db2.gz FFSWSPOXZXUDML-UHFFFAOYSA-N 1 1 394.519 4.061 20 0 GIADMO Cc1cnn(-c2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2F)c1 ZINC000183488140 822484219 /nfs/dbraw/zinc/48/42/19/822484219.db2.gz AADUNJWUTDHRRI-SJORKVTESA-N 1 1 399.514 4.094 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)cc1OC ZINC000183493869 822485438 /nfs/dbraw/zinc/48/54/38/822485438.db2.gz VNOUQNVHKGCGGO-GFCCVEGCSA-N 1 1 380.847 4.094 20 0 GIADMO CCOc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)ccc1OC ZINC000454498730 822485542 /nfs/dbraw/zinc/48/55/42/822485542.db2.gz HYDIZNRYTMYXQJ-SFHVURJKSA-N 1 1 397.519 4.080 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000454506103 822486724 /nfs/dbraw/zinc/48/67/24/822486724.db2.gz KMRMMIBXTFNMLG-SVFBPWRDSA-N 1 1 396.535 4.070 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000454506097 822486733 /nfs/dbraw/zinc/48/67/33/822486733.db2.gz KMRMMIBXTFNMLG-SBHAEUEKSA-N 1 1 396.535 4.070 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000179465493 822486742 /nfs/dbraw/zinc/48/67/42/822486742.db2.gz VJAMAVJYZYNPCI-LLVKDONJSA-N 1 1 385.480 4.165 20 0 GIADMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000046583192 822488329 /nfs/dbraw/zinc/48/83/29/822488329.db2.gz VDTMNNWTEAAVBK-GOSISDBHSA-N 1 1 378.394 4.037 20 0 GIADMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000046583192 822488332 /nfs/dbraw/zinc/48/83/32/822488332.db2.gz VDTMNNWTEAAVBK-GOSISDBHSA-N 1 1 378.394 4.037 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183520326 822489272 /nfs/dbraw/zinc/48/92/72/822489272.db2.gz CUSKHFHWSBGFQA-OLZOCXBDSA-N 1 1 385.430 4.202 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1OCC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183522440 822489501 /nfs/dbraw/zinc/48/95/01/822489501.db2.gz OWBISOQLCOXMIO-HUUCEWRRSA-N 1 1 381.467 4.105 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183540349 822492194 /nfs/dbraw/zinc/49/21/94/822492194.db2.gz BCWRDUHNYRZTCI-QWHCGFSZSA-N 1 1 391.466 4.275 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183540349 822492197 /nfs/dbraw/zinc/49/21/97/822492197.db2.gz BCWRDUHNYRZTCI-QWHCGFSZSA-N 1 1 391.466 4.275 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183540349 822492200 /nfs/dbraw/zinc/49/22/00/822492200.db2.gz BCWRDUHNYRZTCI-QWHCGFSZSA-N 1 1 391.466 4.275 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)n1 ZINC000183542929 822492379 /nfs/dbraw/zinc/49/23/79/822492379.db2.gz JIBGEIARPOGQFK-QFBILLFUSA-N 1 1 382.533 4.136 20 0 GIADMO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000046612965 822492543 /nfs/dbraw/zinc/49/25/43/822492543.db2.gz YJZPODYCECBQKW-HOTGVXAUSA-N 1 1 383.483 4.160 20 0 GIADMO COc1cc(C)c([C@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000046615461 822493169 /nfs/dbraw/zinc/49/31/69/822493169.db2.gz STXUJLBDAXRCBT-ROUUACIJSA-N 1 1 391.556 4.027 20 0 GIADMO c1sc(Cc2ccccc2)nc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179514630 822494546 /nfs/dbraw/zinc/49/45/46/822494546.db2.gz ARYSAFTZJSDZSF-KRWDZBQOSA-N 1 1 379.533 4.109 20 0 GIADMO c1sc(Cc2ccccc2)nc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179514630 822494548 /nfs/dbraw/zinc/49/45/48/822494548.db2.gz ARYSAFTZJSDZSF-KRWDZBQOSA-N 1 1 379.533 4.109 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000183564531 822495245 /nfs/dbraw/zinc/49/52/45/822495245.db2.gz XQZKMANRNPAOCB-UHFFFAOYSA-N 1 1 389.487 4.085 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@@H](C)c3cccc(-n4cccn4)c3)n2)ccc1F ZINC000183566380 822495546 /nfs/dbraw/zinc/49/55/46/822495546.db2.gz CZICFAMLCWGJFT-HNNXBMFYSA-N 1 1 377.423 4.221 20 0 GIADMO C[C@@H]([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1cccc(-n2cccn2)c1 ZINC000183566498 822495824 /nfs/dbraw/zinc/49/58/24/822495824.db2.gz YXRXIBDFIYHTIF-GFCCVEGCSA-N 1 1 399.376 4.190 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-n2cccn2)c1 ZINC000183569448 822496062 /nfs/dbraw/zinc/49/60/62/822496062.db2.gz QAYGLJSQHPTZEW-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)CC[N@H+]1Cc1ccccc1 ZINC000179521447 822496359 /nfs/dbraw/zinc/49/63/59/822496359.db2.gz 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CC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(Cl)c(Cl)c1 ZINC000179542469 822500095 /nfs/dbraw/zinc/50/00/95/822500095.db2.gz UDJNBQDOOHREHM-UHFFFAOYSA-N 1 1 386.348 4.309 20 0 GIADMO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1noc(Cc2ccccc2)n1 ZINC000179570470 822505411 /nfs/dbraw/zinc/50/54/11/822505411.db2.gz PIZPVOGJJMSEIJ-FAEJEUNOSA-N 1 1 385.508 4.212 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCCC1(F)F ZINC000454610392 822505814 /nfs/dbraw/zinc/50/58/14/822505814.db2.gz JEAIQQIODFVAFH-BHIYHBOVSA-N 1 1 379.495 4.022 20 0 GIADMO CCc1nn(C)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000179579308 822506402 /nfs/dbraw/zinc/50/64/02/822506402.db2.gz KDBYKJAVEQMREC-QFIPXVFZSA-N 1 1 397.544 4.209 20 0 GIADMO CCc1nn(C)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000179579308 822506405 /nfs/dbraw/zinc/50/64/05/822506405.db2.gz KDBYKJAVEQMREC-QFIPXVFZSA-N 1 1 397.544 4.209 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454615135 822506540 /nfs/dbraw/zinc/50/65/40/822506540.db2.gz LKGRKYFANGFHKU-UZKOGDIHSA-N 1 1 393.531 4.427 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000046750661 822512841 /nfs/dbraw/zinc/51/28/41/822512841.db2.gz QLEQCNZJYXKSPK-GOSISDBHSA-N 1 1 397.567 4.107 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)Cc2ccccc2Br)C1 ZINC000046752861 822513285 /nfs/dbraw/zinc/51/32/85/822513285.db2.gz UXNFWVHNLFLYNS-INIZCTEOSA-N 1 1 396.373 4.103 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000183707252 822514735 /nfs/dbraw/zinc/51/47/35/822514735.db2.gz NHLUKAGGGKQWTD-CQSZACIVSA-N 1 1 395.425 4.083 20 0 GIADMO Cc1ccc(F)c(CCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000454668005 822514889 /nfs/dbraw/zinc/51/48/89/822514889.db2.gz XTKILTKANAJMGL-UHFFFAOYSA-N 1 1 387.524 4.047 20 0 GIADMO C[N@@H+]1CCC[C@@H](CNCc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719211 822516365 /nfs/dbraw/zinc/51/63/65/822516365.db2.gz JGVOWNQYJMRUBJ-WMLDXEAASA-N 1 1 380.355 4.078 20 0 GIADMO C[N@H+]1CCC[C@@H](CNCc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719211 822516369 /nfs/dbraw/zinc/51/63/69/822516369.db2.gz JGVOWNQYJMRUBJ-WMLDXEAASA-N 1 1 380.355 4.078 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC[N@H+]1C ZINC000179637813 822517412 /nfs/dbraw/zinc/51/74/12/822517412.db2.gz WSGUPOCUKAQKIU-HRAATJIYSA-N 1 1 379.504 4.235 20 0 GIADMO Cc1cc2cc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)oc2c(Br)c1 ZINC000183731272 822517874 /nfs/dbraw/zinc/51/78/74/822517874.db2.gz KZWTVGBYGZYZFM-CZUORRHYSA-N 1 1 391.309 4.060 20 0 GIADMO Cc1cc2cc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)oc2c(Br)c1 ZINC000183731334 822517960 /nfs/dbraw/zinc/51/79/60/822517960.db2.gz KZWTVGBYGZYZFM-BBRMVZONSA-N 1 1 391.309 4.060 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)Nc1cccnc1 ZINC000046804365 822519005 /nfs/dbraw/zinc/51/90/05/822519005.db2.gz LVOHBAAPQPLRHL-LJQANCHMSA-N 1 1 378.501 4.064 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)Nc1cccnc1 ZINC000046804365 822519006 /nfs/dbraw/zinc/51/90/06/822519006.db2.gz LVOHBAAPQPLRHL-LJQANCHMSA-N 1 1 378.501 4.064 20 0 GIADMO CC(C)CN(C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179655369 822521228 /nfs/dbraw/zinc/52/12/28/822521228.db2.gz JXBRNBWBDBONBF-DNVCBOLYSA-N 1 1 381.923 4.302 20 0 GIADMO CCN(Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183749474 822521698 /nfs/dbraw/zinc/52/16/98/822521698.db2.gz YUGYFIPCUQSGJT-JOCHJYFZSA-N 1 1 377.536 4.109 20 0 GIADMO CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183749474 822521700 /nfs/dbraw/zinc/52/17/00/822521700.db2.gz YUGYFIPCUQSGJT-JOCHJYFZSA-N 1 1 377.536 4.109 20 0 GIADMO CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183749474 822521703 /nfs/dbraw/zinc/52/17/03/822521703.db2.gz YUGYFIPCUQSGJT-JOCHJYFZSA-N 1 1 377.536 4.109 20 0 GIADMO CC[C@@H]1CN(Cc2nnc(Cc3ccccc3C)o2)CC[N@H+]1Cc1ccccc1 ZINC000183748429 822521814 /nfs/dbraw/zinc/52/18/14/822521814.db2.gz UDZYESDRCWSEOC-JOCHJYFZSA-N 1 1 390.531 4.065 20 0 GIADMO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000183751855 822522113 /nfs/dbraw/zinc/52/21/13/822522113.db2.gz POUQLVRVSLQPBK-CYBMUJFWSA-N 1 1 381.303 4.107 20 0 GIADMO CCN(Cc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183752212 822522443 /nfs/dbraw/zinc/52/24/43/822522443.db2.gz QZFJWCYUCKEDQZ-FQEVSTJZSA-N 1 1 396.922 4.486 20 0 GIADMO C[C@H](c1ccncc1)[N@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000179663848 822522797 /nfs/dbraw/zinc/52/27/97/822522797.db2.gz LCSUEZHPJFXKGQ-HXUWFJFHSA-N 1 1 387.527 4.413 20 0 GIADMO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000179663848 822522800 /nfs/dbraw/zinc/52/28/00/822522800.db2.gz LCSUEZHPJFXKGQ-HXUWFJFHSA-N 1 1 387.527 4.413 20 0 GIADMO Cn1c(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)nc2ccccc2c1=O ZINC000179674110 822524531 /nfs/dbraw/zinc/52/45/31/822524531.db2.gz AGCSUBWKGYJQJW-UHFFFAOYSA-N 1 1 387.405 4.121 20 0 GIADMO CCN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183767667 822525522 /nfs/dbraw/zinc/52/55/22/822525522.db2.gz KKTWDSJNODJEFK-XMMPIXPASA-N 1 1 391.559 4.019 20 0 GIADMO CC[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183767667 822525524 /nfs/dbraw/zinc/52/55/24/822525524.db2.gz KKTWDSJNODJEFK-XMMPIXPASA-N 1 1 391.559 4.019 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183767667 822525525 /nfs/dbraw/zinc/52/55/25/822525525.db2.gz KKTWDSJNODJEFK-XMMPIXPASA-N 1 1 391.559 4.019 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CC[C@@H](c4cc(C)cc(C)c4)C3)CC2)[nH+]c1 ZINC000183768579 822525625 /nfs/dbraw/zinc/52/56/25/822525625.db2.gz LWVQYTUCHONKPX-OAQYLSRUSA-N 1 1 377.532 4.239 20 0 GIADMO COc1c(C)c[nH+]c(CN(C)Cc2cc3cnn(C(C)C)c3nc2Cl)c1C ZINC000183784110 822527833 /nfs/dbraw/zinc/52/78/33/822527833.db2.gz CBYSAPFGHJXGOC-UHFFFAOYSA-N 1 1 387.915 4.318 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1c(F)cccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454763688 822529810 /nfs/dbraw/zinc/52/98/10/822529810.db2.gz HGEQJNMVHVCZJB-AEFFLSMTSA-N 1 1 387.474 4.017 20 0 GIADMO CSCC1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000454767511 822530295 /nfs/dbraw/zinc/53/02/95/822530295.db2.gz KYOFABWTAHVJMQ-AFVILVPDSA-N 1 1 389.609 4.118 20 0 GIADMO Cc1ccc(CN(C)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1C ZINC000454775670 822531762 /nfs/dbraw/zinc/53/17/62/822531762.db2.gz QUVREOKKTPPUJC-IBGZPJMESA-N 1 1 381.520 4.361 20 0 GIADMO Cc1nn(C)c2sc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc12 ZINC000046934579 822532523 /nfs/dbraw/zinc/53/25/23/822532523.db2.gz YCRJIKNCAPRZRK-CQSZACIVSA-N 1 1 382.533 4.427 20 0 GIADMO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000179712110 822532902 /nfs/dbraw/zinc/53/29/02/822532902.db2.gz CWTJJWDCSHSFRZ-KRWDZBQOSA-N 1 1 394.519 4.435 20 0 GIADMO Cc1ccccc1COc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000183842806 822534781 /nfs/dbraw/zinc/53/47/81/822534781.db2.gz LYJKSDKEDNHCQI-SFHVURJKSA-N 1 1 376.504 4.353 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1cccc(Cl)n1 ZINC000183867579 822538281 /nfs/dbraw/zinc/53/82/81/822538281.db2.gz CGDMTUFLUSVJAU-UHFFFAOYSA-N 1 1 384.867 4.282 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1cccc(Cl)n1 ZINC000183867579 822538284 /nfs/dbraw/zinc/53/82/84/822538284.db2.gz CGDMTUFLUSVJAU-UHFFFAOYSA-N 1 1 384.867 4.282 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000179737059 822538932 /nfs/dbraw/zinc/53/89/32/822538932.db2.gz QOVRCWGQGWYHLP-MRXNPFEDSA-N 1 1 385.483 4.234 20 0 GIADMO CC[C@@H]1CN(C(=O)Nc2cccc(NC(C)=O)c2C)CC[N@H+]1Cc1ccccc1 ZINC000183901174 822542873 /nfs/dbraw/zinc/54/28/73/822542873.db2.gz LRBFKYYZBAQBKA-HXUWFJFHSA-N 1 1 394.519 4.082 20 0 GIADMO Fc1ccc(-c2nc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)co2)cc1 ZINC000179757523 822544489 /nfs/dbraw/zinc/54/44/89/822544489.db2.gz CNQKYTVDMHBJLM-OAQYLSRUSA-N 1 1 380.419 4.493 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1 ZINC000179762327 822546166 /nfs/dbraw/zinc/54/61/66/822546166.db2.gz LULJMMDZAYPYRR-GOTSBHOMSA-N 1 1 394.515 4.108 20 0 GIADMO O=C(CN1CC[NH+](Cc2ccc(C(F)F)cc2)CC1)Nc1ccccc1Cl ZINC000183920325 822546573 /nfs/dbraw/zinc/54/65/73/822546573.db2.gz VDGNXRCPCVTXFQ-UHFFFAOYSA-N 1 1 393.865 4.034 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1SCc1cscn1 ZINC000047143102 822548336 /nfs/dbraw/zinc/54/83/36/822548336.db2.gz HFFMXGUTDHTMEY-OAHLLOKOSA-N 1 1 375.563 4.040 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454879754 822550090 /nfs/dbraw/zinc/55/00/90/822550090.db2.gz ZHNFKACVKGIGBZ-PZJWPPBQSA-N 1 1 379.504 4.038 20 0 GIADMO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(F)ccc1F ZINC000179779752 822551265 /nfs/dbraw/zinc/55/12/65/822551265.db2.gz BVJJGOZJNSCDSZ-INIZCTEOSA-N 1 1 375.387 4.202 20 0 GIADMO CC(=O)Nc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1C ZINC000047186612 822552326 /nfs/dbraw/zinc/55/23/26/822552326.db2.gz LCDJYPXFKFGUAE-QGZVFWFLSA-N 1 1 393.531 4.115 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000047187679 822552436 /nfs/dbraw/zinc/55/24/36/822552436.db2.gz BGHWLWIOHGEROY-QGZVFWFLSA-N 1 1 388.483 4.382 20 0 GIADMO Cc1cnccc1NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183962936 822554665 /nfs/dbraw/zinc/55/46/65/822554665.db2.gz CCJUDYFKLZLNPL-UHFFFAOYSA-N 1 1 393.318 4.483 20 0 GIADMO CC(C)C[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)c1nc(-c2nc[nH]n2)no1 ZINC000179803887 822556198 /nfs/dbraw/zinc/55/61/98/822556198.db2.gz JQZLYGJDQVGHRM-BXUZGUMPSA-N 1 1 394.401 4.312 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC1CC(F)(F)C1 ZINC000454921785 822557274 /nfs/dbraw/zinc/55/72/74/822557274.db2.gz LODXGVBMZYPZQG-GOSISDBHSA-N 1 1 379.495 4.022 20 0 GIADMO C[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000454932249 822559235 /nfs/dbraw/zinc/55/92/35/822559235.db2.gz WPKHORCDLXIIIO-SRWPAKMTSA-N 1 1 375.944 4.352 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)NC4CCCCC4)CC3)c2c1 ZINC000047257465 822559374 /nfs/dbraw/zinc/55/93/74/822559374.db2.gz VHMXJRKQLSNHKL-MRXNPFEDSA-N 1 1 381.520 4.103 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)NC4CCCCC4)CC3)c2c1 ZINC000047257465 822559376 /nfs/dbraw/zinc/55/93/76/822559376.db2.gz VHMXJRKQLSNHKL-MRXNPFEDSA-N 1 1 381.520 4.103 20 0 GIADMO Cc1ccccc1[C@@H](C[NH+]1CCOCC1)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000183992400 822559570 /nfs/dbraw/zinc/55/95/70/822559570.db2.gz WLUXLNFTAFBWQE-JOCHJYFZSA-N 1 1 395.547 4.009 20 0 GIADMO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cs1 ZINC000047262262 822559663 /nfs/dbraw/zinc/55/96/63/822559663.db2.gz UPNLUHYVCTXWQH-ZDUSSCGKSA-N 1 1 392.956 4.340 20 0 GIADMO CC(C)(C)c1nc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cs1 ZINC000047262262 822559668 /nfs/dbraw/zinc/55/96/68/822559668.db2.gz UPNLUHYVCTXWQH-ZDUSSCGKSA-N 1 1 392.956 4.340 20 0 GIADMO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274029 822561006 /nfs/dbraw/zinc/56/10/06/822561006.db2.gz DGBWUUGPIFPGEM-HNNXBMFYSA-N 1 1 395.482 4.201 20 0 GIADMO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274029 822561007 /nfs/dbraw/zinc/56/10/07/822561007.db2.gz DGBWUUGPIFPGEM-HNNXBMFYSA-N 1 1 395.482 4.201 20 0 GIADMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274028 822561020 /nfs/dbraw/zinc/56/10/20/822561020.db2.gz DGBWUUGPIFPGEM-OAHLLOKOSA-N 1 1 395.482 4.201 20 0 GIADMO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274028 822561021 /nfs/dbraw/zinc/56/10/21/822561021.db2.gz DGBWUUGPIFPGEM-OAHLLOKOSA-N 1 1 395.482 4.201 20 0 GIADMO CCCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1OCC ZINC000047275854 822561267 /nfs/dbraw/zinc/56/12/67/822561267.db2.gz ZPLSFLFAKHHVGK-UHFFFAOYSA-N 1 1 380.448 4.016 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2)C1 ZINC000047284125 822562180 /nfs/dbraw/zinc/56/21/80/822562180.db2.gz WRAYDRKWFHEDJU-KRWDZBQOSA-N 1 1 376.504 4.366 20 0 GIADMO CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)CC1CCN(c2ccccn2)CC1 ZINC000179834865 822562830 /nfs/dbraw/zinc/56/28/30/822562830.db2.gz VXKKBDAEYPBTNA-UHFFFAOYSA-N 1 1 375.520 4.210 20 0 GIADMO CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)CC1CCN(c2ccccn2)CC1 ZINC000179834865 822562831 /nfs/dbraw/zinc/56/28/31/822562831.db2.gz VXKKBDAEYPBTNA-UHFFFAOYSA-N 1 1 375.520 4.210 20 0 GIADMO CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)CC1CCN(c2ccccn2)CC1 ZINC000179834865 822562832 /nfs/dbraw/zinc/56/28/32/822562832.db2.gz VXKKBDAEYPBTNA-UHFFFAOYSA-N 1 1 375.520 4.210 20 0 GIADMO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000047322931 822565670 /nfs/dbraw/zinc/56/56/70/822565670.db2.gz NTICZDLOSYDOHC-UHFFFAOYSA-N 1 1 389.446 4.150 20 0 GIADMO Cc1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2C)cc1-c1ncco1 ZINC000184047571 822570546 /nfs/dbraw/zinc/57/05/46/822570546.db2.gz QBCXSVIFVGWKAP-QFIPXVFZSA-N 1 1 377.488 4.444 20 0 GIADMO O=C(CCc1ccc2[nH]ccc2c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000179891818 822572570 /nfs/dbraw/zinc/57/25/70/822572570.db2.gz CSZQTQIBCJXMJE-UHFFFAOYSA-N 1 1 397.469 4.160 20 0 GIADMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000179892875 822572801 /nfs/dbraw/zinc/57/28/01/822572801.db2.gz OVNWQQBYUHLZHY-HZPDHXFCSA-N 1 1 385.483 4.112 20 0 GIADMO FC(F)Oc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1Br ZINC000179902986 822573985 /nfs/dbraw/zinc/57/39/85/822573985.db2.gz KEKZFPNMXWBBRP-UHFFFAOYSA-N 1 1 386.240 4.084 20 0 GIADMO COc1cc2c(cc1NC(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1)oc1ccccc12 ZINC000047405711 822575747 /nfs/dbraw/zinc/57/57/47/822575747.db2.gz DJFXHVVXSGBAMR-OAHLLOKOSA-N 1 1 394.471 4.034 20 0 GIADMO CCCOc1c(Cl)cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1OCC ZINC000179915756 822576501 /nfs/dbraw/zinc/57/65/01/822576501.db2.gz YRVXDSCBMWOSHZ-UHFFFAOYSA-N 1 1 394.943 4.018 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000047416631 822577462 /nfs/dbraw/zinc/57/74/62/822577462.db2.gz WDDXVBKZSVTTSY-CALCHBBNSA-N 1 1 399.560 4.098 20 0 GIADMO Cc1ccc(Br)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000455042043 822578470 /nfs/dbraw/zinc/57/84/70/822578470.db2.gz YCQWMEFMUUZRCF-CQSZACIVSA-N 1 1 380.330 4.096 20 0 GIADMO COc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1OCc1cccnc1 ZINC000179935894 822580607 /nfs/dbraw/zinc/58/06/07/822580607.db2.gz SDIKIBRVHQBZCE-UHFFFAOYSA-N 1 1 382.504 4.204 20 0 GIADMO COc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1OCc1cccnc1 ZINC000179935894 822580609 /nfs/dbraw/zinc/58/06/09/822580609.db2.gz SDIKIBRVHQBZCE-UHFFFAOYSA-N 1 1 382.504 4.204 20 0 GIADMO COc1ccc2cc(C[N@H+](C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2c1 ZINC000179939132 822581029 /nfs/dbraw/zinc/58/10/29/822581029.db2.gz MGHVSARKKRLCBI-MRXNPFEDSA-N 1 1 383.513 4.445 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2c1 ZINC000179939132 822581032 /nfs/dbraw/zinc/58/10/32/822581032.db2.gz MGHVSARKKRLCBI-MRXNPFEDSA-N 1 1 383.513 4.445 20 0 GIADMO O=C(Nc1ncccc1Cl)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000179946269 822582867 /nfs/dbraw/zinc/58/28/67/822582867.db2.gz XVQARGAJEMHRNF-QGZVFWFLSA-N 1 1 383.801 4.128 20 0 GIADMO Cc1c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cccc1N(C)C ZINC000455063937 822583124 /nfs/dbraw/zinc/58/31/24/822583124.db2.gz AAIACHFUMWVENM-SFHVURJKSA-N 1 1 380.536 4.047 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](C)c2nccs2)c1 ZINC000184135124 822583892 /nfs/dbraw/zinc/58/38/92/822583892.db2.gz XIZNOSKEPSQIQJ-OAHLLOKOSA-N 1 1 383.521 4.437 20 0 GIADMO Cn1cc([C@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)c2cccc(F)c2)cn1 ZINC000179960832 822586024 /nfs/dbraw/zinc/58/60/24/822586024.db2.gz ZZTFMCQFYDUIAO-XZOQPEGZSA-N 1 1 378.495 4.075 20 0 GIADMO C[C@](Cc1cccc(Br)c1)([NH2+]Cc1nccc(N)n1)c1ccccc1 ZINC000179961709 822586306 /nfs/dbraw/zinc/58/63/06/822586306.db2.gz ZGCRZKKVXBVSGD-HXUWFJFHSA-N 1 1 397.320 4.069 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Br)c4ccccc34)C2)C1 ZINC000455081332 822586769 /nfs/dbraw/zinc/58/67/69/822586769.db2.gz ZFFBBDHTXHUWBF-IBGZPJMESA-N 1 1 388.309 4.162 20 0 GIADMO Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1F ZINC000179974782 822588630 /nfs/dbraw/zinc/58/86/30/822588630.db2.gz RKTBVNCEBFAYQI-UHFFFAOYSA-N 1 1 377.410 4.198 20 0 GIADMO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000455105981 822589615 /nfs/dbraw/zinc/58/96/15/822589615.db2.gz DDFZIYQFUAXYQL-DYESRHJHSA-N 1 1 392.503 4.355 20 0 GIADMO CCOc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)ccc1OC ZINC000047581843 822593243 /nfs/dbraw/zinc/59/32/43/822593243.db2.gz MQPRBZXNGPPDLA-UHFFFAOYSA-N 1 1 397.519 4.142 20 0 GIADMO C[C@H]1CN(C(=O)Nc2nc(Cc3ccccc3)cs2)CC[N@H+](C2CCC2)C1 ZINC000455127918 822593488 /nfs/dbraw/zinc/59/34/88/822593488.db2.gz RHPVAGCNCMOGGJ-MRXNPFEDSA-N 1 1 384.549 4.072 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1nc2ccc(Cl)cc2n1C ZINC000180009313 822595343 /nfs/dbraw/zinc/59/53/43/822595343.db2.gz JBPIKIPNZDKFIC-HNNXBMFYSA-N 1 1 396.922 4.200 20 0 GIADMO Brc1ccc([C@@H]([NH2+]Cc2nncn2-c2ccccc2)C2CC2)cc1 ZINC000180012258 822596410 /nfs/dbraw/zinc/59/64/10/822596410.db2.gz RVWNWKMRBOEJQF-IBGZPJMESA-N 1 1 383.293 4.271 20 0 GIADMO CCc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000180014291 822596796 /nfs/dbraw/zinc/59/67/96/822596796.db2.gz QFNUQYFQCKDMBZ-OAHLLOKOSA-N 1 1 385.899 4.066 20 0 GIADMO COc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC(C)C ZINC000184218613 822597967 /nfs/dbraw/zinc/59/79/67/822597967.db2.gz FBOWVKDKIZQZDM-SJORKVTESA-N 1 1 389.540 4.257 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)co2)cc1 ZINC000180023777 822598886 /nfs/dbraw/zinc/59/88/86/822598886.db2.gz IPLUKDDRRHQOHV-OAHLLOKOSA-N 1 1 391.471 4.476 20 0 GIADMO O=C(NC[C@@H]1CCCCC1(F)F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455159560 822599298 /nfs/dbraw/zinc/59/92/98/822599298.db2.gz FRAPQFPHNYYBMD-FPOVZHCZSA-N 1 1 391.506 4.120 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000047675739 822599418 /nfs/dbraw/zinc/59/94/18/822599418.db2.gz VRXPKUSVSNJWET-UHFFFAOYSA-N 1 1 399.560 4.337 20 0 GIADMO COc1ccc(-c2nc(C(=O)N(C)CC[N@@H+](C)C3CCCCC3)cs2)cc1 ZINC000047675615 822599467 /nfs/dbraw/zinc/59/94/67/822599467.db2.gz FXNVSOSVSDLYMS-UHFFFAOYSA-N 1 1 387.549 4.155 20 0 GIADMO C[N@H+](Cc1nnc(-c2ccccc2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000184229809 822599812 /nfs/dbraw/zinc/59/98/12/822599812.db2.gz KBUOGXJIINRUPC-UHFFFAOYSA-N 1 1 388.537 4.036 20 0 GIADMO C[N@@H+](Cc1nnc(-c2ccccc2)s1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000184229809 822599815 /nfs/dbraw/zinc/59/98/15/822599815.db2.gz KBUOGXJIINRUPC-UHFFFAOYSA-N 1 1 388.537 4.036 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)c2cccc(F)c2)cn1 ZINC000180028009 822600223 /nfs/dbraw/zinc/60/02/23/822600223.db2.gz MUQNDUQVDGKINQ-GOSISDBHSA-N 1 1 379.357 4.337 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@@H](CCC(C)C)c3ccc(Cl)cc3)sc2n1 ZINC000180031066 822601010 /nfs/dbraw/zinc/60/10/10/822601010.db2.gz AWWXGINYKRHBFY-INIZCTEOSA-N 1 1 390.940 4.380 20 0 GIADMO CC[C@@H](C)Sc1ccc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000184248349 822602667 /nfs/dbraw/zinc/60/26/67/822602667.db2.gz FVXFRKZSBGCQMR-ZWKOTPCHSA-N 1 1 392.613 4.033 20 0 GIADMO Cc1ccccc1SCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047714810 822602733 /nfs/dbraw/zinc/60/27/33/822602733.db2.gz GJQGRQUWOMWPRY-UHFFFAOYSA-N 1 1 390.499 4.146 20 0 GIADMO COc1cc(OC)c([C@@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1Cl ZINC000180046197 822603658 /nfs/dbraw/zinc/60/36/58/822603658.db2.gz RHZWXOLVQFDAIT-CYBMUJFWSA-N 1 1 391.899 4.070 20 0 GIADMO C[C@H](Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C)c1ccc(S(C)(=O)=O)cc1 ZINC000180063290 822607071 /nfs/dbraw/zinc/60/70/71/822607071.db2.gz QXHKRTSSHHUCRX-AWEZNQCLSA-N 1 1 385.533 4.447 20 0 GIADMO CC(=O)NCC1CC[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000047772193 822608296 /nfs/dbraw/zinc/60/82/96/822608296.db2.gz SAXMCELDWRLZFL-UHFFFAOYSA-N 1 1 397.466 4.177 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3nc(C4CC4)cs3)CC[N@H+]2C2CC2)c1 ZINC000180067662 822608279 /nfs/dbraw/zinc/60/82/79/822608279.db2.gz YDJVISACHYNBDU-IEBWSBKVSA-N 1 1 398.532 4.129 20 0 GIADMO CCN(C(=O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)C1CCCCC1 ZINC000047797252 822609765 /nfs/dbraw/zinc/60/97/65/822609765.db2.gz UNIPPOMZIJHBME-UHFFFAOYSA-N 1 1 392.490 4.041 20 0 GIADMO CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2cn(C)nc2CC)cc1 ZINC000180085491 822612192 /nfs/dbraw/zinc/61/21/92/822612192.db2.gz GJJZXYMQVZMDMD-UHFFFAOYSA-N 1 1 380.492 4.248 20 0 GIADMO C[C@H](C[S@@](C)=O)[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000184314821 822613025 /nfs/dbraw/zinc/61/30/25/822613025.db2.gz QRJOULOVWMRPCR-XUTBRHNUSA-N 1 1 384.314 4.034 20 0 GIADMO COc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCc2ccccc2)c1 ZINC000455229691 822613159 /nfs/dbraw/zinc/61/31/59/822613159.db2.gz ORGJFGTWNRWUCB-YQQQUEKLSA-N 1 1 395.503 4.021 20 0 GIADMO CN(C)Cc1cc(C[NH2+][C@H]2CCc3c2cccc3Br)ccc1F ZINC000180113329 822617956 /nfs/dbraw/zinc/61/79/56/822617956.db2.gz PKTHWQWDJJQMTJ-IBGZPJMESA-N 1 1 377.301 4.427 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180115075 822618366 /nfs/dbraw/zinc/61/83/66/822618366.db2.gz OSEURMXFOPPOIV-GFCCVEGCSA-N 1 1 375.847 4.137 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1nc(C)cs1 ZINC000184357592 822621616 /nfs/dbraw/zinc/62/16/16/822621616.db2.gz XFRQEMCCJURBAL-KBPBESRZSA-N 1 1 388.562 4.149 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180132753 822622641 /nfs/dbraw/zinc/62/26/41/822622641.db2.gz QKJLFMFLZKEWAE-ZDUSSCGKSA-N 1 1 375.847 4.280 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000180133956 822622947 /nfs/dbraw/zinc/62/29/47/822622947.db2.gz MEHOZVQFPXNANP-XOBRGWDASA-N 1 1 383.879 4.135 20 0 GIADMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139650 822624521 /nfs/dbraw/zinc/62/45/21/822624521.db2.gz CMWVTLRGSQLJNK-OOGWUDDOSA-N 1 1 378.520 4.023 20 0 GIADMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139650 822624523 /nfs/dbraw/zinc/62/45/23/822624523.db2.gz CMWVTLRGSQLJNK-OOGWUDDOSA-N 1 1 378.520 4.023 20 0 GIADMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139650 822624525 /nfs/dbraw/zinc/62/45/25/822624525.db2.gz CMWVTLRGSQLJNK-OOGWUDDOSA-N 1 1 378.520 4.023 20 0 GIADMO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](CC)c1nc(C)cs1 ZINC000184407124 822629490 /nfs/dbraw/zinc/62/94/90/822629490.db2.gz MNZBTTOCDFEKMS-DLBZAZTESA-N 1 1 375.538 4.158 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000048076845 822629774 /nfs/dbraw/zinc/62/97/74/822629774.db2.gz FHTVQQVXPJPHBN-UHFFFAOYSA-N 1 1 387.446 4.212 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000184412077 822630168 /nfs/dbraw/zinc/63/01/68/822630168.db2.gz BHVZPGILXCETJM-IFMALSPDSA-N 1 1 394.563 4.073 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000184412719 822630426 /nfs/dbraw/zinc/63/04/26/822630426.db2.gz MYEKULUDMGUDSX-FCEUIQTBSA-N 1 1 387.568 4.030 20 0 GIADMO CC(C)N(C)c1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1F ZINC000048083527 822630533 /nfs/dbraw/zinc/63/05/33/822630533.db2.gz IZHHDONCPACGCU-UHFFFAOYSA-N 1 1 378.536 4.254 20 0 GIADMO Cc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(C2CC2)n1 ZINC000455316409 822633442 /nfs/dbraw/zinc/63/34/42/822633442.db2.gz DKPNVQQVHULSRY-UHFFFAOYSA-N 1 1 377.532 4.048 20 0 GIADMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194735 822636831 /nfs/dbraw/zinc/63/68/31/822636831.db2.gz JQTPETZACMYOSH-RDTXWAMCSA-N 1 1 376.342 4.159 20 0 GIADMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194735 822636833 /nfs/dbraw/zinc/63/68/33/822636833.db2.gz JQTPETZACMYOSH-RDTXWAMCSA-N 1 1 376.342 4.159 20 0 GIADMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194735 822636835 /nfs/dbraw/zinc/63/68/35/822636835.db2.gz JQTPETZACMYOSH-RDTXWAMCSA-N 1 1 376.342 4.159 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cccc(Br)c2Cl)c2ccccc2C1 ZINC000180198820 822637865 /nfs/dbraw/zinc/63/78/65/822637865.db2.gz IBADJCNBNNKESK-UHFFFAOYSA-N 1 1 379.685 4.195 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cccc(Br)c2Cl)c2ccccc2C1 ZINC000180198820 822637866 /nfs/dbraw/zinc/63/78/66/822637866.db2.gz IBADJCNBNNKESK-UHFFFAOYSA-N 1 1 379.685 4.195 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000184457732 822638764 /nfs/dbraw/zinc/63/87/64/822638764.db2.gz OWCDQEKNAHABSY-CABCVRRESA-N 1 1 398.576 4.320 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCc1ccc(Cl)cc1 ZINC000184457524 822638810 /nfs/dbraw/zinc/63/88/10/822638810.db2.gz GJEWJEZJWCYEDV-CHWSQXEVSA-N 1 1 379.957 4.450 20 0 GIADMO Fc1cccc(OC[C@@H](NCc2cnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000180207132 822639424 /nfs/dbraw/zinc/63/94/24/822639424.db2.gz MKTIDBBFZFONCE-GOSISDBHSA-N 1 1 379.357 4.478 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC000184463466 822640268 /nfs/dbraw/zinc/64/02/68/822640268.db2.gz ABWOQQMWXXAGML-UHFFFAOYSA-N 1 1 380.895 4.041 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000184465515 822640766 /nfs/dbraw/zinc/64/07/66/822640766.db2.gz IDUBAYXMPYOZNZ-HXUWFJFHSA-N 1 1 382.504 4.214 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N(C)Cc1cccc(F)c1 ZINC000184472191 822642103 /nfs/dbraw/zinc/64/21/03/822642103.db2.gz YJNPVGXFEHHKHY-KBPBESRZSA-N 1 1 377.529 4.277 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1nc(C(C)(C)C)cs1 ZINC000184472211 822642112 /nfs/dbraw/zinc/64/21/12/822642112.db2.gz YJNPVGXFEHHKHY-KGLIPLIRSA-N 1 1 377.529 4.277 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N1CCc2sccc2C1 ZINC000184483767 822643707 /nfs/dbraw/zinc/64/37/07/822643707.db2.gz HGWWHOAYWNHRGE-QWHCGFSZSA-N 1 1 377.579 4.126 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(C)c1 ZINC000184487944 822644555 /nfs/dbraw/zinc/64/45/55/822644555.db2.gz MFNQDZFAFYAQNL-FQEVSTJZSA-N 1 1 388.552 4.384 20 0 GIADMO Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000455398123 822646534 /nfs/dbraw/zinc/64/65/34/822646534.db2.gz VMXSNZBJZMDGAI-SFHVURJKSA-N 1 1 392.547 4.319 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1cccnc1 ZINC000048234076 822647289 /nfs/dbraw/zinc/64/72/89/822647289.db2.gz WVKDQMQRCHDGEJ-SFHVURJKSA-N 1 1 383.561 4.006 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(Br)s2)c2cccc(F)c2)cn1 ZINC000180251057 822648424 /nfs/dbraw/zinc/64/84/24/822648424.db2.gz XSOJUOOLPLGEPW-MRXNPFEDSA-N 1 1 380.286 4.262 20 0 GIADMO CCC[N@@H+](CCc1cccs1)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000184513706 822648623 /nfs/dbraw/zinc/64/86/23/822648623.db2.gz KAKYAESWPSDMRG-UHFFFAOYSA-N 1 1 385.558 4.425 20 0 GIADMO CCc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1Cl ZINC000455417333 822650071 /nfs/dbraw/zinc/65/00/71/822650071.db2.gz XIGRDNAZYRFKPA-JWTNVVGKSA-N 1 1 379.932 4.008 20 0 GIADMO CCC[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCO1 ZINC000180261750 822650272 /nfs/dbraw/zinc/65/02/72/822650272.db2.gz NQYQOXHBEDOBRH-WIYYLYMNSA-N 1 1 384.520 4.123 20 0 GIADMO CCC[C@@H]1C[C@H](C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000180261750 822650277 /nfs/dbraw/zinc/65/02/77/822650277.db2.gz NQYQOXHBEDOBRH-WIYYLYMNSA-N 1 1 384.520 4.123 20 0 GIADMO Cc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184523555 822650595 /nfs/dbraw/zinc/65/05/95/822650595.db2.gz DOSNDQFYLHKHJX-QGZVFWFLSA-N 1 1 379.529 4.128 20 0 GIADMO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1nc(-c2ccccc2)cs1 ZINC000184528078 822651544 /nfs/dbraw/zinc/65/15/44/822651544.db2.gz PUEIEHRVJHWMHR-AWEZNQCLSA-N 1 1 385.920 4.431 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(-c4cnco4)c3)cc2)C[C@H](C)O1 ZINC000048282338 822651580 /nfs/dbraw/zinc/65/15/80/822651580.db2.gz OJFPTBYISDGGJC-CALCHBBNSA-N 1 1 391.471 4.203 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(-c4cnco4)c3)cc2)C[C@H](C)O1 ZINC000048282338 822651582 /nfs/dbraw/zinc/65/15/82/822651582.db2.gz OJFPTBYISDGGJC-CALCHBBNSA-N 1 1 391.471 4.203 20 0 GIADMO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184533181 822652337 /nfs/dbraw/zinc/65/23/37/822652337.db2.gz QYQSPQNDUWDTRD-CVEARBPZSA-N 1 1 395.528 4.347 20 0 GIADMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1 ZINC000048345079 822654839 /nfs/dbraw/zinc/65/48/39/822654839.db2.gz CLZMUHPUUDIUMO-UHFFFAOYSA-N 1 1 389.503 4.014 20 0 GIADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000184564241 822658240 /nfs/dbraw/zinc/65/82/40/822658240.db2.gz AUKWRUCTCNUKBP-IEBWSBKVSA-N 1 1 388.581 4.045 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000048390031 822658665 /nfs/dbraw/zinc/65/86/65/822658665.db2.gz HRFDICSHJHOUIB-UHFFFAOYSA-N 1 1 394.519 4.083 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)C1 ZINC000180302567 822660195 /nfs/dbraw/zinc/66/01/95/822660195.db2.gz DYQQMTVYAKJZBF-INIZCTEOSA-N 1 1 393.491 4.085 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)[C@H](C)C1 ZINC000180303835 822660405 /nfs/dbraw/zinc/66/04/05/822660405.db2.gz FLGPLBXXMQTBIW-BEFAXECRSA-N 1 1 393.491 4.084 20 0 GIADMO Cc1c(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cccc1-c1ncco1 ZINC000455476709 822661860 /nfs/dbraw/zinc/66/18/60/822661860.db2.gz AKGJLJLWTDMVCR-MRXNPFEDSA-N 1 1 390.487 4.218 20 0 GIADMO CCN(C(=O)NCc1nc2ccccc2s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184597447 822663475 /nfs/dbraw/zinc/66/34/75/822663475.db2.gz LLSISLBFPWKDFH-GOSISDBHSA-N 1 1 394.544 4.102 20 0 GIADMO O=C(C[NH2+][C@H](COc1ccccc1F)c1ccccc1)Nc1cccnc1Cl ZINC000180326311 822663747 /nfs/dbraw/zinc/66/37/47/822663747.db2.gz WRZLBGJDWHSNPQ-GOSISDBHSA-N 1 1 399.853 4.223 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(Br)c(F)c2)c2cccc(F)c2)cn1 ZINC000180330409 822664660 /nfs/dbraw/zinc/66/46/60/822664660.db2.gz RXBULHRNCOMFKS-SFHVURJKSA-N 1 1 392.247 4.340 20 0 GIADMO Cc1nc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1-c1ccccc1 ZINC000455491517 822664962 /nfs/dbraw/zinc/66/49/62/822664962.db2.gz WNLOBWLEENIUIS-KRWDZBQOSA-N 1 1 378.520 4.395 20 0 GIADMO C[C@H](NC(=O)Nc1cc(F)cc(F)c1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455554340 822674137 /nfs/dbraw/zinc/67/41/37/822674137.db2.gz PRIGCPUNRUOBAG-ZFWWWQNUSA-N 1 1 377.410 4.136 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455563127 822675033 /nfs/dbraw/zinc/67/50/33/822675033.db2.gz IOWZQYFKSYLSTB-HNNXBMFYSA-N 1 1 377.410 4.090 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000180397010 822675393 /nfs/dbraw/zinc/67/53/93/822675393.db2.gz GTBANYQKFDMELF-UHFFFAOYSA-N 1 1 393.453 4.286 20 0 GIADMO COc1ccc(OC)c(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 ZINC000048686401 822678142 /nfs/dbraw/zinc/67/81/42/822678142.db2.gz GUTNDHAPEMSAQW-UHFFFAOYSA-N 1 1 387.430 4.074 20 0 GIADMO COc1cc(Cl)cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1O ZINC000184701675 822679092 /nfs/dbraw/zinc/67/90/92/822679092.db2.gz WIVFWBCFKPMFAW-GOSISDBHSA-N 1 1 387.863 4.383 20 0 GIADMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1cccnc1OC(C)C ZINC000048714221 822679491 /nfs/dbraw/zinc/67/94/91/822679491.db2.gz RPOGQHPOMMQXTA-UHFFFAOYSA-N 1 1 386.446 4.239 20 0 GIADMO Fc1ccc(Oc2ccc(C[NH2+]Cc3cccc4c3OCCCO4)cn2)cc1 ZINC000048742320 822680454 /nfs/dbraw/zinc/68/04/54/822680454.db2.gz SXOCVAZDKMZTQH-UHFFFAOYSA-N 1 1 380.419 4.464 20 0 GIADMO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2cccc3c2OCO3)cn1 ZINC000048745795 822680965 /nfs/dbraw/zinc/68/09/65/822680965.db2.gz XCHIZDXVRVVYKH-UHFFFAOYSA-N 1 1 378.428 4.291 20 0 GIADMO CCc1nc([C@@H](C)[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)cs1 ZINC000184715203 822681077 /nfs/dbraw/zinc/68/10/77/822681077.db2.gz YDBUKWSEUZRCGF-GHMZBOCLSA-N 1 1 375.321 4.103 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)c1cccc(N2CCOC2=O)c1 ZINC000184721734 822682071 /nfs/dbraw/zinc/68/20/71/822682071.db2.gz ZHYOSGIAEDTMKX-HNNXBMFYSA-N 1 1 396.878 4.333 20 0 GIADMO C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000180438291 822682133 /nfs/dbraw/zinc/68/21/33/822682133.db2.gz KRZYBTZPJKUZCT-HTAPYJJXSA-N 1 1 389.946 4.042 20 0 GIADMO CCOc1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)ccc1OC ZINC000048776450 822682257 /nfs/dbraw/zinc/68/22/57/822682257.db2.gz SQCCUKWXUOJPOU-UHFFFAOYSA-N 1 1 377.488 4.058 20 0 GIADMO CC(C)COC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000180442785 822683062 /nfs/dbraw/zinc/68/30/62/822683062.db2.gz MDGLUYDEWPKHRS-AWEZNQCLSA-N 1 1 388.581 4.035 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[N@H+]1C ZINC000455633254 822687367 /nfs/dbraw/zinc/68/73/67/822687367.db2.gz CCUOPBCBHQUBPI-ZYHUDNBSSA-N 1 1 379.810 4.185 20 0 GIADMO CCC[C@@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000180471522 822687779 /nfs/dbraw/zinc/68/77/79/822687779.db2.gz YLYPZEMUZMZGNT-SSGKUCQKSA-N 1 1 384.564 4.095 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(Cl)cn1 ZINC000180490978 822690630 /nfs/dbraw/zinc/69/06/30/822690630.db2.gz DYTDBPCTSRAHAJ-MRXNPFEDSA-N 1 1 386.927 4.109 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000180502483 822691941 /nfs/dbraw/zinc/69/19/41/822691941.db2.gz XSTZGNAPOPUPDZ-JOCHJYFZSA-N 1 1 388.515 4.393 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000180502483 822691943 /nfs/dbraw/zinc/69/19/43/822691943.db2.gz XSTZGNAPOPUPDZ-JOCHJYFZSA-N 1 1 388.515 4.393 20 0 GIADMO Cc1cc(Br)c(NC(=O)C[N@H+](C)CC(C)C)c(Br)c1 ZINC000049442763 822700722 /nfs/dbraw/zinc/70/07/22/822700722.db2.gz WXQPXLYYWDZNPW-UHFFFAOYSA-N 1 1 392.135 4.046 20 0 GIADMO COc1ccccc1CN(C)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180573636 822704883 /nfs/dbraw/zinc/70/48/83/822704883.db2.gz SVMOLQFZIRUZEO-QGZVFWFLSA-N 1 1 398.400 4.076 20 0 GIADMO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184891560 822708454 /nfs/dbraw/zinc/70/84/54/822708454.db2.gz WVAMEKJAWUFRSJ-QGZVFWFLSA-N 1 1 384.501 4.165 20 0 GIADMO CC[N@@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000049771091 822708787 /nfs/dbraw/zinc/70/87/87/822708787.db2.gz BQLUVWQYPFLJKK-OAHLLOKOSA-N 1 1 389.455 4.206 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H]1CCCc2ccccc21)[NH+](C)C ZINC000049789617 822709445 /nfs/dbraw/zinc/70/94/45/822709445.db2.gz YRNTYMHRCGXQSM-NHCUHLMSSA-N 1 1 381.520 4.017 20 0 GIADMO COc1ccc(Br)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180602412 822709434 /nfs/dbraw/zinc/70/94/34/822709434.db2.gz LNRONUGLYIVVJC-YOEHRIQHSA-N 1 1 380.282 4.139 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(NC(=O)OC)c(F)c2)cc1)C(C)C ZINC000180607383 822711204 /nfs/dbraw/zinc/71/12/04/822711204.db2.gz DAEKUVYWMOAUHP-UHFFFAOYSA-N 1 1 387.455 4.487 20 0 GIADMO COC(=O)c1coc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000180609961 822711755 /nfs/dbraw/zinc/71/17/55/822711755.db2.gz AIVKJHUIRIXJDC-CQSZACIVSA-N 1 1 396.418 4.308 20 0 GIADMO COC(=O)c1coc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000180609940 822711777 /nfs/dbraw/zinc/71/17/77/822711777.db2.gz AIVKJHUIRIXJDC-AWEZNQCLSA-N 1 1 396.418 4.308 20 0 GIADMO C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H]1n1ccnc1 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PPCCFRIIDADIMB-STQMWFEESA-N 1 1 386.309 4.233 20 0 GIADMO CCCn1ncc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455761107 822721407 /nfs/dbraw/zinc/72/14/07/822721407.db2.gz XPABDJYNRNEQTP-YLJYHZDGSA-N 1 1 395.551 4.203 20 0 GIADMO CCCn1ncc(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1C1CC1 ZINC000455761204 822721651 /nfs/dbraw/zinc/72/16/51/822721651.db2.gz XXAGVTLEGKHFPH-QHCPKHFHSA-N 1 1 395.551 4.347 20 0 GIADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000184986975 822722196 /nfs/dbraw/zinc/72/21/96/822722196.db2.gz IQWNZNJYNHAZPH-UHFFFAOYSA-N 1 1 385.414 4.276 20 0 GIADMO C[C@@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000455765646 822722477 /nfs/dbraw/zinc/72/24/77/822722477.db2.gz RODKCAFHGYYAGY-HZPDHXFCSA-N 1 1 398.469 4.116 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCCOCc2ccccc2)C[C@H](C)O1 ZINC000050332208 822725918 /nfs/dbraw/zinc/72/59/18/822725918.db2.gz WSKSWDBJIPWPQY-BGYRXZFFSA-N 1 1 396.531 4.231 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCCOCc2ccccc2)C[C@H](C)O1 ZINC000050332208 822725920 /nfs/dbraw/zinc/72/59/20/822725920.db2.gz WSKSWDBJIPWPQY-BGYRXZFFSA-N 1 1 396.531 4.231 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccccc1C(C)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000455812793 822730935 /nfs/dbraw/zinc/73/09/35/822730935.db2.gz UEILOQWKYZYZJJ-ZDUSSCGKSA-N 1 1 379.476 4.428 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccccc1C(C)(F)F)[N@H+]1CCc2sccc2C1 ZINC000455812793 822730937 /nfs/dbraw/zinc/73/09/37/822730937.db2.gz UEILOQWKYZYZJJ-ZDUSSCGKSA-N 1 1 379.476 4.428 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3Cl)n2)C1 ZINC000050629619 822735159 /nfs/dbraw/zinc/73/51/59/822735159.db2.gz AWGOOCIJLPEABW-IXDOHACOSA-N 1 1 386.927 4.003 20 0 GIADMO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1scnc1C(C)C)c1ccccc1 ZINC000455852933 822737386 /nfs/dbraw/zinc/73/73/86/822737386.db2.gz WDSYDUMREHDFRZ-QGZVFWFLSA-N 1 1 390.553 4.098 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc(Cl)cnc2OC(C)C)C1 ZINC000455858562 822738175 /nfs/dbraw/zinc/73/81/75/822738175.db2.gz KFHVOOZFJLVPTJ-HNNXBMFYSA-N 1 1 391.903 4.150 20 0 GIADMO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H](c3ccco3)N3CCCCC3)ccc21 ZINC000455880820 822741725 /nfs/dbraw/zinc/74/17/25/822741725.db2.gz SGNMPPKEBPRIMF-NHCUHLMSSA-N 1 1 396.535 4.177 20 0 GIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(OCc3cccnc3)cc1)CC2 ZINC000050958513 822743164 /nfs/dbraw/zinc/74/31/64/822743164.db2.gz GHQZIQRTVNRMDC-UHFFFAOYSA-N 1 1 390.483 4.236 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(OCc3cccnc3)cc1)CC2 ZINC000050958513 822743166 /nfs/dbraw/zinc/74/31/66/822743166.db2.gz GHQZIQRTVNRMDC-UHFFFAOYSA-N 1 1 390.483 4.236 20 0 GIADMO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)sc1Cc1ccccc1F ZINC000455895336 822743981 /nfs/dbraw/zinc/74/39/81/822743981.db2.gz CIRMNJPBOPXCER-XJKSGUPXSA-N 1 1 390.528 4.128 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000051050972 822745048 /nfs/dbraw/zinc/74/50/48/822745048.db2.gz STIIQYQTKWLJKD-IEBWSBKVSA-N 1 1 385.577 4.251 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000051050972 822745050 /nfs/dbraw/zinc/74/50/50/822745050.db2.gz STIIQYQTKWLJKD-IEBWSBKVSA-N 1 1 385.577 4.251 20 0 GIADMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000051057466 822745108 /nfs/dbraw/zinc/74/51/08/822745108.db2.gz ARYTVEYDUKPSGC-NRFANRHFSA-N 1 1 393.531 4.067 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051055334 822745125 /nfs/dbraw/zinc/74/51/25/822745125.db2.gz WVGSQZMFZCXMEU-MOPGFXCFSA-N 1 1 387.568 4.074 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051055334 822745128 /nfs/dbraw/zinc/74/51/28/822745128.db2.gz WVGSQZMFZCXMEU-MOPGFXCFSA-N 1 1 387.568 4.074 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000051123626 822746803 /nfs/dbraw/zinc/74/68/03/822746803.db2.gz OTZQSOHXTBFTJL-UHFFFAOYSA-N 1 1 387.483 4.318 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000051123626 822746805 /nfs/dbraw/zinc/74/68/05/822746805.db2.gz OTZQSOHXTBFTJL-UHFFFAOYSA-N 1 1 387.483 4.318 20 0 GIADMO CCc1ccc(CNC(=O)C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000051132131 822746950 /nfs/dbraw/zinc/74/69/50/822746950.db2.gz FHJJADNMKDLUDR-PGRDOPGGSA-N 1 1 386.561 4.026 20 0 GIADMO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132124 822747088 /nfs/dbraw/zinc/74/70/88/822747088.db2.gz WRVILWZXZFRLEV-GRYUFTJMSA-N 1 1 394.559 4.142 20 0 GIADMO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132978 822747226 /nfs/dbraw/zinc/74/72/26/822747226.db2.gz VRRQQYFHUPBGAN-AUSIDOKSSA-N 1 1 396.535 4.036 20 0 GIADMO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133228 822747442 /nfs/dbraw/zinc/74/74/42/822747442.db2.gz ICTSMZNAZAASNO-GZGNHOFSSA-N 1 1 392.543 4.280 20 0 GIADMO CCOc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133434 822747564 /nfs/dbraw/zinc/74/75/64/822747564.db2.gz DDPAYRAECKXNBG-AUSIDOKSSA-N 1 1 382.504 4.124 20 0 GIADMO COc1ccc(-c2noc(C[N@@H+](C)C[C@@H]3CCCO[C@@H]3c3ccccc3)n2)cc1 ZINC000051133196 822747569 /nfs/dbraw/zinc/74/75/69/822747569.db2.gz IDTWJFRTRQNNNW-SIKLNZKXSA-N 1 1 393.487 4.345 20 0 GIADMO CCOCc1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)ccc1OC ZINC000051187937 822749720 /nfs/dbraw/zinc/74/97/20/822749720.db2.gz JUYPDKDLGZAUBZ-UHFFFAOYSA-N 1 1 391.515 4.196 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C2CC2)s1 ZINC000185283109 822759373 /nfs/dbraw/zinc/75/93/73/822759373.db2.gz USILITRNAHYHPX-HZPDHXFCSA-N 1 1 379.888 4.090 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccccc2SC(F)F)C2CC2)s1 ZINC000185284326 822759478 /nfs/dbraw/zinc/75/94/78/822759478.db2.gz NJEYQCGBJZTNAP-OAHLLOKOSA-N 1 1 383.489 4.446 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C1=CC[C@H](C)CC1 ZINC000455994894 822763502 /nfs/dbraw/zinc/76/35/02/822763502.db2.gz LURKXVVKDAUALZ-LAUBAEHRSA-N 1 1 378.520 4.323 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000174288623 822763680 /nfs/dbraw/zinc/76/36/80/822763680.db2.gz URXFAJFNVDUVMP-OAHLLOKOSA-N 1 1 396.457 4.484 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2F)C2CC2)s1 ZINC000185323191 822765832 /nfs/dbraw/zinc/76/58/32/822765832.db2.gz AOOGGGWWUANPDS-HNNXBMFYSA-N 1 1 398.301 4.033 20 0 GIADMO CCN(C(=O)C[NH2+][C@H](c1ncc(C)s1)C1CC1)c1nc2ccccc2s1 ZINC000185324158 822765933 /nfs/dbraw/zinc/76/59/33/822765933.db2.gz PLMHBTYNEJYNEZ-KRWDZBQOSA-N 1 1 386.546 4.155 20 0 GIADMO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000174300136 822766839 /nfs/dbraw/zinc/76/68/39/822766839.db2.gz ZLPBWHNZCFSCDD-UHFFFAOYSA-N 1 1 382.508 4.016 20 0 GIADMO CC[N@H+](Cc1ccc(OCc2cccs2)c(OC)c1)Cc1ccn(C)c(=O)c1 ZINC000051588789 822767609 /nfs/dbraw/zinc/76/76/09/822767609.db2.gz POLORLQXZWZKIT-UHFFFAOYSA-N 1 1 398.528 4.057 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)s1 ZINC000185344761 822768747 /nfs/dbraw/zinc/76/87/47/822768747.db2.gz RHYZKMNUBDWRLN-VQIMIIECSA-N 1 1 382.533 4.136 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2Br)C2CC2)s1 ZINC000185354592 822770180 /nfs/dbraw/zinc/77/01/80/822770180.db2.gz WXQNWGMGLTVQIQ-ABAIWWIYSA-N 1 1 394.338 4.282 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C2CC2)n1 ZINC000456045177 822770427 /nfs/dbraw/zinc/77/04/27/822770427.db2.gz FMCPWTDUNCUNKA-DEOSSOPVSA-N 1 1 375.516 4.006 20 0 GIADMO O=C(Nc1cccc(CC(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000174322066 822770714 /nfs/dbraw/zinc/77/07/14/822770714.db2.gz HWAQDXCZPOPSMB-UHFFFAOYSA-N 1 1 377.410 4.141 20 0 GIADMO COc1ccc([C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccc(F)cc2)cc1 ZINC000174324704 822771035 /nfs/dbraw/zinc/77/10/35/822771035.db2.gz IPPNSIAXDLASNG-XUEUYAKLSA-N 1 1 399.510 4.048 20 0 GIADMO COc1ccc([C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccc(F)cc2)cc1 ZINC000174324659 822771055 /nfs/dbraw/zinc/77/10/55/822771055.db2.gz IPPNSIAXDLASNG-BSLALVQMSA-N 1 1 399.510 4.048 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Br)cc2)C2CC2)s1 ZINC000185359343 822771085 /nfs/dbraw/zinc/77/10/85/822771085.db2.gz VIQYNACLAPSSNR-NHYWBVRUSA-N 1 1 394.338 4.282 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C2CC2)s1 ZINC000185360221 822771272 /nfs/dbraw/zinc/77/12/72/822771272.db2.gz LARHAYPSWUJHFX-IBGZPJMESA-N 1 1 399.516 4.172 20 0 GIADMO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000051649523 822771588 /nfs/dbraw/zinc/77/15/88/822771588.db2.gz MLURUMQDEZDNTK-HSZRJFAPSA-N 1 1 396.531 4.075 20 0 GIADMO CCCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000051649523 822771590 /nfs/dbraw/zinc/77/15/90/822771590.db2.gz MLURUMQDEZDNTK-HSZRJFAPSA-N 1 1 396.531 4.075 20 0 GIADMO CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cc[nH]n2)cc1 ZINC000174366762 822778857 /nfs/dbraw/zinc/77/88/57/822778857.db2.gz DNFNANOTQXNBNW-UHFFFAOYSA-N 1 1 387.487 4.339 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](CC(=O)OC(C)C)C2)cc1)C(C)C ZINC000185410018 822780293 /nfs/dbraw/zinc/78/02/93/822780293.db2.gz LXRWPCMMEOSCMC-HXUWFJFHSA-N 1 1 388.552 4.111 20 0 GIADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2c(Cl)cncc2Cl)CCC1 ZINC000456120096 822780347 /nfs/dbraw/zinc/78/03/47/822780347.db2.gz KGKWLJHUAXADCT-UHFFFAOYSA-N 1 1 378.303 4.173 20 0 GIADMO CC(C)c1ccccc1NC(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400085 822784525 /nfs/dbraw/zinc/78/45/25/822784525.db2.gz VKLFEFAIFVXNPQ-NRFANRHFSA-N 1 1 379.548 4.202 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NNc2c(F)cccc2Cl)[C@@H]1c1cccs1 ZINC000185454864 822786468 /nfs/dbraw/zinc/78/64/68/822786468.db2.gz VMADKNSISVOXDT-SJKOYZFVSA-N 1 1 396.919 4.250 20 0 GIADMO C[C@H](c1nc(Cc2ccccc2)no1)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185465098 822787557 /nfs/dbraw/zinc/78/75/57/822787557.db2.gz CMKQXAXZXGMIAX-IAGOWNOFSA-N 1 1 382.533 4.162 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CC[C@H](C)[C@H]3c3cccc(F)c3)CC2)[nH+]c1 ZINC000174419438 822787608 /nfs/dbraw/zinc/78/76/08/822787608.db2.gz CGVADUDMJWOZHC-JTSKRJEESA-N 1 1 381.495 4.355 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000052153588 822791578 /nfs/dbraw/zinc/79/15/78/822791578.db2.gz DQHBTZDVHCOZOX-UHFFFAOYSA-N 1 1 391.258 4.116 20 0 GIADMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000052162403 822791982 /nfs/dbraw/zinc/79/19/82/822791982.db2.gz NZIQPWVXVMGUOO-CQSZACIVSA-N 1 1 388.924 4.278 20 0 GIADMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000052162403 822791985 /nfs/dbraw/zinc/79/19/85/822791985.db2.gz NZIQPWVXVMGUOO-CQSZACIVSA-N 1 1 388.924 4.278 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000052294045 822795830 /nfs/dbraw/zinc/79/58/30/822795830.db2.gz BHUZLHJKVATCFL-LJQANCHMSA-N 1 1 386.858 4.073 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OC(F)F ZINC000174495659 822796862 /nfs/dbraw/zinc/79/68/62/822796862.db2.gz OXQKTMLAAHJKCT-KRWDZBQOSA-N 1 1 389.446 4.274 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000174501253 822797512 /nfs/dbraw/zinc/79/75/12/822797512.db2.gz XGJUWBSYUVXCFZ-CYBMUJFWSA-N 1 1 375.365 4.027 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)C1 ZINC000174501187 822797524 /nfs/dbraw/zinc/79/75/24/822797524.db2.gz VZVFRDHVOKJYPB-QGZVFWFLSA-N 1 1 391.490 4.455 20 0 GIADMO C[C@H]1CN(C(=O)CCc2ccnc3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000456324347 822798478 /nfs/dbraw/zinc/79/84/78/822798478.db2.gz FKGBJCLAGBURKV-HXUWFJFHSA-N 1 1 387.527 4.148 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)C1 ZINC000174509194 822798700 /nfs/dbraw/zinc/79/87/00/822798700.db2.gz DZPUJIBKGPGTBK-INIZCTEOSA-N 1 1 389.590 4.158 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000174509940 822799030 /nfs/dbraw/zinc/79/90/30/822799030.db2.gz LWXJEHZQGJLTJM-INIZCTEOSA-N 1 1 395.528 4.484 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CCCN(c4ccc(OC)cc4)CC3)co2)cc1 ZINC000052466118 822800799 /nfs/dbraw/zinc/80/07/99/822800799.db2.gz GYQZZHFKQXDUMF-UHFFFAOYSA-N 1 1 393.487 4.071 20 0 GIADMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1 ZINC000052466557 822800855 /nfs/dbraw/zinc/80/08/55/822800855.db2.gz XTXFJPUUXWERJB-SFHVURJKSA-N 1 1 392.503 4.327 20 0 GIADMO CCC[C@@H](CCO)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000174526184 822801014 /nfs/dbraw/zinc/80/10/14/822801014.db2.gz SPMCWRNYQORYNS-SFHVURJKSA-N 1 1 375.557 4.371 20 0 GIADMO C[C@@H]1CN(C(=O)c2cccc([C@H]3CCCOC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456352564 822801509 /nfs/dbraw/zinc/80/15/09/822801509.db2.gz YERXNPCNJONZRQ-RDPSFJRHSA-N 1 1 392.543 4.175 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cs1 ZINC000174549463 822803802 /nfs/dbraw/zinc/80/38/02/822803802.db2.gz ZEUQRRZLUMUCII-MRXNPFEDSA-N 1 1 397.548 4.371 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cs1 ZINC000174549463 822803804 /nfs/dbraw/zinc/80/38/04/822803804.db2.gz ZEUQRRZLUMUCII-MRXNPFEDSA-N 1 1 397.548 4.371 20 0 GIADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cn(C)c2ccccc12 ZINC000185643946 822806077 /nfs/dbraw/zinc/80/60/77/822806077.db2.gz HKECGWLAQRKDEP-DYXWJJEUSA-N 1 1 389.543 4.451 20 0 GIADMO CCCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000052721778 822808545 /nfs/dbraw/zinc/80/85/45/822808545.db2.gz WPSJNKGBVRPMSK-GOSISDBHSA-N 1 1 395.547 4.185 20 0 GIADMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000052747573 822809393 /nfs/dbraw/zinc/80/93/93/822809393.db2.gz AGPAUBCTPUEONO-UHFFFAOYSA-N 1 1 393.462 4.184 20 0 GIADMO C[N@@H+](CCSc1nnc(-c2cccnc2)n1C1CC1)Cc1ccc(F)cc1 ZINC000185684908 822809958 /nfs/dbraw/zinc/80/99/58/822809958.db2.gz VCHXUABEHDLEKQ-UHFFFAOYSA-N 1 1 383.496 4.038 20 0 GIADMO COc1ccc(-n2c(C[N@@H+](C[C@@H]3CCOC3)C3CC3)nc3ccccc32)cc1 ZINC000052774596 822810119 /nfs/dbraw/zinc/81/01/19/822810119.db2.gz SBQKHHILLKZWIP-KRWDZBQOSA-N 1 1 377.488 4.035 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(N4CCCC4)cc3C)CC2)[nH+]c1 ZINC000174602953 822810859 /nfs/dbraw/zinc/81/08/59/822810859.db2.gz OSBVWFUHMKMJCK-UHFFFAOYSA-N 1 1 393.535 4.089 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]([C@@H](C)c3ncc(-c4ccccc4)o3)C2)nc1 ZINC000174605632 822811444 /nfs/dbraw/zinc/81/14/44/822811444.db2.gz XBTGILMWNRQEPA-HKUYNNGSSA-N 1 1 390.487 4.457 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)nc1 ZINC000174606505 822811601 /nfs/dbraw/zinc/81/16/01/822811601.db2.gz VKHUCTGLJCQSPD-OAHLLOKOSA-N 1 1 398.557 4.426 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)nc1 ZINC000174606505 822811603 /nfs/dbraw/zinc/81/16/03/822811603.db2.gz VKHUCTGLJCQSPD-OAHLLOKOSA-N 1 1 398.557 4.426 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000052833037 822812524 /nfs/dbraw/zinc/81/25/24/822812524.db2.gz JXECHUFVEBFGQH-HNNXBMFYSA-N 1 1 395.425 4.068 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)Cc1ccccn1 ZINC000052833037 822812529 /nfs/dbraw/zinc/81/25/29/822812529.db2.gz JXECHUFVEBFGQH-HNNXBMFYSA-N 1 1 395.425 4.068 20 0 GIADMO C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1cccc(F)c1 ZINC000174612746 822812538 /nfs/dbraw/zinc/81/25/38/822812538.db2.gz ADRHVBZZQOGGQX-DENIHFKCSA-N 1 1 382.523 4.075 20 0 GIADMO Cc1nc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)sc1C ZINC000174617708 822813125 /nfs/dbraw/zinc/81/31/25/822813125.db2.gz IHTXPWJVRWIQGA-UHFFFAOYSA-N 1 1 384.505 4.307 20 0 GIADMO Cc1nc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)sc1C ZINC000174617708 822813129 /nfs/dbraw/zinc/81/31/29/822813129.db2.gz IHTXPWJVRWIQGA-UHFFFAOYSA-N 1 1 384.505 4.307 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000052877306 822813920 /nfs/dbraw/zinc/81/39/20/822813920.db2.gz SVIFRILWUHCIQC-QZTJIDSGSA-N 1 1 397.485 4.131 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000052907395 822814921 /nfs/dbraw/zinc/81/49/21/822814921.db2.gz FXEPHBBFJHQFTG-SFHVURJKSA-N 1 1 376.504 4.429 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000052907395 822814925 /nfs/dbraw/zinc/81/49/25/822814925.db2.gz FXEPHBBFJHQFTG-SFHVURJKSA-N 1 1 376.504 4.429 20 0 GIADMO COc1ccc2c(c1)c(C(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)c(C)n2C1CCCC1 ZINC000174631596 822814906 /nfs/dbraw/zinc/81/49/06/822814906.db2.gz BVAURVNUPQQONS-MJGOQNOKSA-N 1 1 395.547 4.382 20 0 GIADMO COCc1c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)sc2cccc(F)c21 ZINC000052954865 822816671 /nfs/dbraw/zinc/81/66/71/822816671.db2.gz GSJMMDOHLJRWCH-CQSZACIVSA-N 1 1 378.513 4.181 20 0 GIADMO C[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749646 822817516 /nfs/dbraw/zinc/81/75/16/822817516.db2.gz VGRXEPAAUDGJHK-DENIHFKCSA-N 1 1 383.580 4.055 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)o2)c(C)c1 ZINC000053010458 822818566 /nfs/dbraw/zinc/81/85/66/822818566.db2.gz UIJKZHUSZQOWBN-GOSISDBHSA-N 1 1 382.460 4.101 20 0 GIADMO C[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765021 822818870 /nfs/dbraw/zinc/81/88/70/822818870.db2.gz JOQZFKDPGNJLRH-CABCVRRESA-N 1 1 397.535 4.182 20 0 GIADMO C[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764969 822818989 /nfs/dbraw/zinc/81/89/89/822818989.db2.gz JOQZFKDPGNJLRH-LSDHHAIUSA-N 1 1 397.535 4.182 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2nc(C3CC3)cs2)[C@@H]1c1cccs1 ZINC000174656601 822819098 /nfs/dbraw/zinc/81/90/98/822819098.db2.gz UCFAAIPYFCMKAD-CZUORRHYSA-N 1 1 376.551 4.287 20 0 GIADMO CC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000053088785 822821176 /nfs/dbraw/zinc/82/11/76/822821176.db2.gz ITXHVEYFINNCFG-KXBFYZLASA-N 1 1 388.446 4.446 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(C(C)=O)cc2)[C@H](C)C2CC2)cc1 ZINC000053097624 822821598 /nfs/dbraw/zinc/82/15/98/822821598.db2.gz ZGSYKWLCNWZAAE-MRXNPFEDSA-N 1 1 380.488 4.137 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(C(C)=O)cc2)[C@H](C)C2CC2)cc1 ZINC000053097624 822821604 /nfs/dbraw/zinc/82/16/04/822821604.db2.gz ZGSYKWLCNWZAAE-MRXNPFEDSA-N 1 1 380.488 4.137 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053112828 822822302 /nfs/dbraw/zinc/82/23/02/822822302.db2.gz FIKMFICVWXMUDF-ZDUSSCGKSA-N 1 1 393.409 4.123 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053112828 822822304 /nfs/dbraw/zinc/82/23/04/822822304.db2.gz FIKMFICVWXMUDF-ZDUSSCGKSA-N 1 1 393.409 4.123 20 0 GIADMO CCN1c2ccc(NC(=O)c3ccc(C[N@@H+](CC)C(C)C)cc3)cc2CCC1=O ZINC000185809158 822823227 /nfs/dbraw/zinc/82/32/27/822823227.db2.gz AKAQXJJMWUUAJQ-UHFFFAOYSA-N 1 1 393.531 4.468 20 0 GIADMO Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccccc1 ZINC000053160481 822824260 /nfs/dbraw/zinc/82/42/60/822824260.db2.gz YMVIKOYAMBFNGL-HKUYNNGSSA-N 1 1 393.531 4.098 20 0 GIADMO CC[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1)c1c(C)noc1C ZINC000185828095 822825045 /nfs/dbraw/zinc/82/50/45/822825045.db2.gz WWGCXHNHRTVYCB-PMACEKPBSA-N 1 1 384.524 4.049 20 0 GIADMO O=c1nc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000053182074 822825086 /nfs/dbraw/zinc/82/50/86/822825086.db2.gz XESYTQSYKHSLAU-INIZCTEOSA-N 1 1 379.529 4.071 20 0 GIADMO O=c1nc(C[N@H+]2CCC[C@H]2CCc2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000053182074 822825089 /nfs/dbraw/zinc/82/50/89/822825089.db2.gz XESYTQSYKHSLAU-INIZCTEOSA-N 1 1 379.529 4.071 20 0 GIADMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000053182556 822825119 /nfs/dbraw/zinc/82/51/19/822825119.db2.gz FCCKLHANUASTQB-NHCUHLMSSA-N 1 1 396.494 4.321 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC000053182664 822825211 /nfs/dbraw/zinc/82/52/11/822825211.db2.gz IMSNLEWIZYJVLQ-KRWDZBQOSA-N 1 1 392.503 4.091 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456709384 822825525 /nfs/dbraw/zinc/82/55/25/822825525.db2.gz DAKCDBXHCNNVOQ-UHFFFAOYSA-N 1 1 375.463 4.156 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CCN(CC(F)(F)F)CC3)cc2)C1 ZINC000053190951 822825722 /nfs/dbraw/zinc/82/57/22/822825722.db2.gz PQQZKHUOWOEMPS-INIZCTEOSA-N 1 1 397.485 4.131 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)C(c1ccccc1)c1ccccc1 ZINC000053268629 822828570 /nfs/dbraw/zinc/82/85/70/822828570.db2.gz MXOQHWMNUGGPIK-UHFFFAOYSA-N 1 1 376.525 4.055 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)C(c1ccccc1)c1ccccc1 ZINC000053268629 822828573 /nfs/dbraw/zinc/82/85/73/822828573.db2.gz MXOQHWMNUGGPIK-UHFFFAOYSA-N 1 1 376.525 4.055 20 0 GIADMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000185879716 822829701 /nfs/dbraw/zinc/82/97/01/822829701.db2.gz DWSSOBAPRGLANY-INIZCTEOSA-N 1 1 377.985 4.184 20 0 GIADMO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000185890588 822830393 /nfs/dbraw/zinc/83/03/93/822830393.db2.gz DUWIPSBGYDPKLF-UHFFFAOYSA-N 1 1 398.576 4.062 20 0 GIADMO Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000053358750 822831608 /nfs/dbraw/zinc/83/16/08/822831608.db2.gz KEPULOIDOAVKGP-QGZVFWFLSA-N 1 1 396.579 4.417 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000174756195 822833049 /nfs/dbraw/zinc/83/30/49/822833049.db2.gz OREGLTKLYRWKCT-UHFFFAOYSA-N 1 1 390.325 4.355 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185918682 822833402 /nfs/dbraw/zinc/83/34/02/822833402.db2.gz CEOHCVSWDXLRPJ-LJQANCHMSA-N 1 1 389.503 4.063 20 0 GIADMO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1nc(C(F)(F)F)cs1 ZINC000185920436 822833601 /nfs/dbraw/zinc/83/36/01/822833601.db2.gz KYEJTNJZTYBYCV-WCQYABFASA-N 1 1 394.846 4.296 20 0 GIADMO CC[C@@H]([NH2+]C[C@H](O)COc1cc(C)ccc1C)c1nc(C(F)(F)F)cs1 ZINC000185928743 822834517 /nfs/dbraw/zinc/83/45/17/822834517.db2.gz HDYJIEQBXXTHAB-UONOGXRCSA-N 1 1 388.455 4.259 20 0 GIADMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000185937463 822835289 /nfs/dbraw/zinc/83/52/89/822835289.db2.gz QHGXDRDVRILNGW-VDGAXYAQSA-N 1 1 382.504 4.003 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c2)oc1C ZINC000174792464 822837433 /nfs/dbraw/zinc/83/74/33/822837433.db2.gz BOLRFVPJXIWRDO-UXHICEINSA-N 1 1 382.508 4.437 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000053522249 822838622 /nfs/dbraw/zinc/83/86/22/822838622.db2.gz TXMWMPGRZFGFRT-UHFFFAOYSA-N 1 1 392.315 4.369 20 0 GIADMO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1OCC(F)F ZINC000174804441 822839649 /nfs/dbraw/zinc/83/96/49/822839649.db2.gz YUOAPTKJXHYPED-SJORKVTESA-N 1 1 381.467 4.118 20 0 GIADMO CC[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1nc(C(F)(F)F)cs1 ZINC000185976827 822840081 /nfs/dbraw/zinc/84/00/81/822840081.db2.gz MCPCHLNIFXUOSJ-STQMWFEESA-N 1 1 385.411 4.228 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 ZINC000185996042 822842087 /nfs/dbraw/zinc/84/20/87/822842087.db2.gz QXNOSXPFIMDASS-HNNXBMFYSA-N 1 1 386.459 4.454 20 0 GIADMO Cc1ccccc1OCCC[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053611729 822842773 /nfs/dbraw/zinc/84/27/73/822842773.db2.gz XVNBEVZMGBSNIM-UHFFFAOYSA-N 1 1 395.528 4.118 20 0 GIADMO Cc1ccccc1OCCC[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000053611729 822842777 /nfs/dbraw/zinc/84/27/77/822842777.db2.gz XVNBEVZMGBSNIM-UHFFFAOYSA-N 1 1 395.528 4.118 20 0 GIADMO COc1ccccc1Oc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000174834620 822843634 /nfs/dbraw/zinc/84/36/34/822843634.db2.gz STSGJQSXNZRXTC-IEBWSBKVSA-N 1 1 397.519 4.112 20 0 GIADMO O=C(CCCCc1nc2ccccc2s1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456992523 822845150 /nfs/dbraw/zinc/84/51/50/822845150.db2.gz MVWPZYORPCMBIS-LJQANCHMSA-N 1 1 379.529 4.182 20 0 GIADMO C[C@](Cc1ccccc1)(NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C1CC1 ZINC000457006934 822845970 /nfs/dbraw/zinc/84/59/70/822845970.db2.gz CGVRZJCAOARUBH-JOCHJYFZSA-N 1 1 396.441 4.346 20 0 GIADMO Cc1nc2ccccc2n1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000053722070 822846177 /nfs/dbraw/zinc/84/61/77/822846177.db2.gz LIBRGOBJWGECJO-KRWDZBQOSA-N 1 1 376.504 4.358 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000053721974 822846301 /nfs/dbraw/zinc/84/63/01/822846301.db2.gz IHPGGOYLHGSHPC-KRWDZBQOSA-N 1 1 389.499 4.084 20 0 GIADMO COc1cccc(COCC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000053721975 822846327 /nfs/dbraw/zinc/84/63/27/822846327.db2.gz GIAROKRDXIVUNJ-GOSISDBHSA-N 1 1 382.504 4.225 20 0 GIADMO COc1ccccc1NC(=O)C[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000053742937 822846853 /nfs/dbraw/zinc/84/68/53/822846853.db2.gz JGDAUKKYHRQMSU-UHFFFAOYSA-N 1 1 377.488 4.303 20 0 GIADMO CC[C@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)c1nc(C(F)(F)F)cs1 ZINC000174856375 822847170 /nfs/dbraw/zinc/84/71/70/822847170.db2.gz ROEBNLADVDDCSY-DZGCQCFKSA-N 1 1 385.455 4.422 20 0 GIADMO Cc1ccc(C2=CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000053813145 822849045 /nfs/dbraw/zinc/84/90/45/822849045.db2.gz VTDIZVHDOCLCQP-UHFFFAOYSA-N 1 1 376.416 4.243 20 0 GIADMO Cc1ccc(C2=CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000053813145 822849049 /nfs/dbraw/zinc/84/90/49/822849049.db2.gz VTDIZVHDOCLCQP-UHFFFAOYSA-N 1 1 376.416 4.243 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000174877781 822849860 /nfs/dbraw/zinc/84/98/60/822849860.db2.gz SDOUJMHSISOISU-UHFFFAOYSA-N 1 1 390.325 4.007 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCC[C@H](C(C)C)CC3)CC2)cs1 ZINC000186115901 822852886 /nfs/dbraw/zinc/85/28/86/822852886.db2.gz QZYPFRHWECXLCK-PKOBYXMFSA-N 1 1 377.598 4.385 20 0 GIADMO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cc2)cc1 ZINC000457101487 822853370 /nfs/dbraw/zinc/85/33/70/822853370.db2.gz YGZJZWDAJUQNMM-FQEVSTJZSA-N 1 1 380.488 4.236 20 0 GIADMO Cc1cc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1N(C)C ZINC000174916783 822855600 /nfs/dbraw/zinc/85/56/00/822855600.db2.gz XSSNYXIMEXMGND-HXUWFJFHSA-N 1 1 380.536 4.047 20 0 GIADMO CCCOc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)cs2)cc1 ZINC000457142204 822856725 /nfs/dbraw/zinc/85/67/25/822856725.db2.gz ZWPDAYRWBCZWBL-QGZVFWFLSA-N 1 1 387.549 4.154 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1cc(Cl)cs1 ZINC000174936107 822858047 /nfs/dbraw/zinc/85/80/47/822858047.db2.gz HQXVWZSBXWFPOV-QGZVFWFLSA-N 1 1 376.953 4.315 20 0 GIADMO CC(=O)Nc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000054010835 822858563 /nfs/dbraw/zinc/85/85/63/822858563.db2.gz LCIUDFZQJIXSIG-UHFFFAOYSA-N 1 1 376.460 4.266 20 0 GIADMO COc1ccccc1OCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054011243 822858760 /nfs/dbraw/zinc/85/87/60/822858760.db2.gz YFQJVEZLCAHGQH-UHFFFAOYSA-N 1 1 379.460 4.081 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3cccc(C)c3Cl)CC2)oc1C ZINC000174941963 822858907 /nfs/dbraw/zinc/85/89/07/822858907.db2.gz UYZYKZSYRSHQSS-UHFFFAOYSA-N 1 1 390.915 4.287 20 0 GIADMO COc1ccc(COCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000054012138 822858921 /nfs/dbraw/zinc/85/89/21/822858921.db2.gz GSRRRWVUDPGWKL-UHFFFAOYSA-N 1 1 393.487 4.219 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccnc2ccccc12 ZINC000174951424 822860229 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4.098 20 0 GIADMO O=c1[nH]c(CC[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)nc2ccccc21 ZINC000054173546 822865692 /nfs/dbraw/zinc/86/56/92/822865692.db2.gz LPIQHIUSPCOLBK-JOCHJYFZSA-N 1 1 381.479 4.113 20 0 GIADMO O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1ccc(N2CCCCC2)cc1 ZINC000175007631 822866365 /nfs/dbraw/zinc/86/63/65/822866365.db2.gz BSOGODGWUDYJGA-UHFFFAOYSA-N 1 1 384.549 4.131 20 0 GIADMO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1nc(-c2ccccc2)cs1 ZINC000568971584 822866528 /nfs/dbraw/zinc/86/65/28/822866528.db2.gz LHTZDHHAMKAQLJ-MAUKXSAKSA-N 1 1 384.549 4.187 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3csc(Br)c3)C2)n1 ZINC000054205192 822868263 /nfs/dbraw/zinc/86/82/63/822868263.db2.gz AXLWDLKXGJLHEE-AWEZNQCLSA-N 1 1 394.338 4.065 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3csc(Br)c3)C2)n1 ZINC000054205192 822868267 /nfs/dbraw/zinc/86/82/67/822868267.db2.gz AXLWDLKXGJLHEE-AWEZNQCLSA-N 1 1 394.338 4.065 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000054202810 822868420 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CC[C@H](CC(F)F)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000457459052 822877006 /nfs/dbraw/zinc/87/70/06/822877006.db2.gz MUMOMMHSHFQZJW-UONOGXRCSA-N 1 1 399.457 4.259 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccccc2Br)C1 ZINC000054348193 822877536 /nfs/dbraw/zinc/87/75/36/822877536.db2.gz SAJGGWJDERUPFI-HOCLYGCPSA-N 1 1 388.309 4.406 20 0 GIADMO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000054358286 822878245 /nfs/dbraw/zinc/87/82/45/822878245.db2.gz VMUXVCZNCYPHAH-UHFFFAOYSA-N 1 1 387.321 4.317 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)s1 ZINC000457472948 822878392 /nfs/dbraw/zinc/87/83/92/822878392.db2.gz REJQCWBUTLINBS-UKRRQHHQSA-N 1 1 393.350 4.384 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC000054384034 822880038 /nfs/dbraw/zinc/88/00/38/822880038.db2.gz HRASEFYLNROQNW-AAEUAGOBSA-N 1 1 384.427 4.119 20 0 GIADMO CCN(C(=O)c1cc(F)cc2cccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186354178 822880677 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COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1OC(F)F ZINC000569172321 822888423 /nfs/dbraw/zinc/88/84/23/822888423.db2.gz SZSHOEZAGNRYKF-QYZOEREBSA-N 1 1 389.442 4.301 20 0 GIADMO COCCCOc1ccccc1NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000054472318 822888565 /nfs/dbraw/zinc/88/85/65/822888565.db2.gz RIGNIGMBFMNGLL-QUCCMNQESA-N 1 1 397.519 4.059 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCCSC1 ZINC000569175809 822889173 /nfs/dbraw/zinc/88/91/73/822889173.db2.gz WLXXCOWAFCMGNJ-AWEZNQCLSA-N 1 1 387.376 4.217 20 0 GIADMO CCOc1cccc(CNC(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175142576 822890796 /nfs/dbraw/zinc/89/07/96/822890796.db2.gz BMCOERZRTOOSTF-JOCHJYFZSA-N 1 1 395.547 4.139 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000186417008 822891086 /nfs/dbraw/zinc/89/10/86/822891086.db2.gz BBEHMCGPTWVMFN-HYFFOGBASA-N 1 1 389.503 4.429 20 0 GIADMO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000175158268 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385.451 4.309 20 0 GIADMO Cc1c(Cl)cncc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000457643237 822900272 /nfs/dbraw/zinc/90/02/72/822900272.db2.gz CSVKBFWBBWUYIZ-NQIIRXRSSA-N 1 1 383.923 4.170 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000186471184 822900597 /nfs/dbraw/zinc/90/05/97/822900597.db2.gz BLDBFYBTJJHHIJ-CYBMUJFWSA-N 1 1 383.439 4.101 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000569282088 822901162 /nfs/dbraw/zinc/90/11/62/822901162.db2.gz VHZZAGMWHZNNTD-UWJYYQICSA-N 1 1 394.519 4.210 20 0 GIADMO CCOc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1OCC ZINC000186482426 822902316 /nfs/dbraw/zinc/90/23/16/822902316.db2.gz RFBGWDCFRIKTJB-UHFFFAOYSA-N 1 1 391.458 4.246 20 0 GIADMO O=C(CC[N@H+]1CCc2sccc2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000054670684 822903576 /nfs/dbraw/zinc/90/35/76/822903576.db2.gz FYGVWJUHNXPZPI-OAQYLSRUSA-N 1 1 382.554 4.464 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)n1 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1 384.549 4.106 20 0 GIADMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cncc(C(F)(F)F)c3)cc2)C1 ZINC000569407930 822918108 /nfs/dbraw/zinc/91/81/08/822918108.db2.gz VJPNYXZAWRJSEW-CQSZACIVSA-N 1 1 393.409 4.073 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)s1 ZINC000457791401 822919765 /nfs/dbraw/zinc/91/97/65/822919765.db2.gz BSPDKLDZGOXEOV-CJNGLKHVSA-N 1 1 393.350 4.212 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)c1cccc(OC)c1 ZINC000175268147 822919840 /nfs/dbraw/zinc/91/98/40/822919840.db2.gz AMKUBWQAIJIXNV-FPOVZHCZSA-N 1 1 380.532 4.169 20 0 GIADMO C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)CC[N@H+](C2CC2)C1 ZINC000457803440 822920839 /nfs/dbraw/zinc/92/08/39/822920839.db2.gz AYHZOYXSDIGMOR-HNNXBMFYSA-N 1 1 385.895 4.084 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186598966 822921181 /nfs/dbraw/zinc/92/11/81/822921181.db2.gz MHILFZPGEOVCCN-MOPGFXCFSA-N 1 1 385.527 4.295 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(-c2cncnc2)cc1F ZINC000186600263 822921442 /nfs/dbraw/zinc/92/14/42/822921442.db2.gz UXOAPEKVHHVGDP-FQEVSTJZSA-N 1 1 396.510 4.057 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(OC)c(F)c1 ZINC000175274795 822921716 /nfs/dbraw/zinc/92/17/16/822921716.db2.gz GDDWBMFEVBHCQX-NRFANRHFSA-N 1 1 398.522 4.138 20 0 GIADMO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)o1 ZINC000175276635 822922179 /nfs/dbraw/zinc/92/21/79/822922179.db2.gz RMDBWXPDJMZTEO-IBGZPJMESA-N 1 1 382.508 4.197 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2ncsc2c1 ZINC000175278372 822922681 /nfs/dbraw/zinc/92/26/81/822922681.db2.gz UKKDTINTNFVLHT-SFHVURJKSA-N 1 1 379.529 4.281 20 0 GIADMO CCc1ccc([C@@H]2CCCCN2C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)o1 ZINC000175279483 822922768 /nfs/dbraw/zinc/92/27/68/822922768.db2.gz OPCOAQXHYZKXIO-FQEVSTJZSA-N 1 1 396.535 4.451 20 0 GIADMO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)o1 ZINC000175282054 822923278 /nfs/dbraw/zinc/92/32/78/822923278.db2.gz MIWPIZLWBHFYBW-JXFKEZNVSA-N 1 1 396.535 4.443 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)nnn1-c1cccc(Cl)c1 ZINC000186614880 822923956 /nfs/dbraw/zinc/92/39/56/822923956.db2.gz NAUKETSZNIEQFH-CQSZACIVSA-N 1 1 384.911 4.307 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000175285526 822924495 /nfs/dbraw/zinc/92/44/95/822924495.db2.gz JGUQLLXHYAADAL-HXUWFJFHSA-N 1 1 380.507 4.228 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccs2)on1 ZINC000175285758 822924594 /nfs/dbraw/zinc/92/45/94/822924594.db2.gz FXIZNEQAYWLLGC-SFHVURJKSA-N 1 1 395.528 4.387 20 0 GIADMO COCc1cc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC ZINC000186631126 822926384 /nfs/dbraw/zinc/92/63/84/822926384.db2.gz HCXIHJBTHDYPFX-NYHFZMIOSA-N 1 1 383.467 4.154 20 0 GIADMO CCCCOc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000457864731 822926737 /nfs/dbraw/zinc/92/67/37/822926737.db2.gz KBBVERBWEBSPIX-MJGOQNOKSA-N 1 1 391.556 4.059 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000569467221 822926745 /nfs/dbraw/zinc/92/67/45/822926745.db2.gz ZHGSOTYDKOZRCO-FUHWJXTLSA-N 1 1 378.476 4.156 20 0 GIADMO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000569478517 822927959 /nfs/dbraw/zinc/92/79/59/822927959.db2.gz MRBVYNQZNYNXOG-PGRDOPGGSA-N 1 1 385.471 4.021 20 0 GIADMO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000569478517 822927961 /nfs/dbraw/zinc/92/79/61/822927961.db2.gz MRBVYNQZNYNXOG-PGRDOPGGSA-N 1 1 385.471 4.021 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(Cl)c(Cl)c2)cn1 ZINC000054984879 822928717 /nfs/dbraw/zinc/92/87/17/822928717.db2.gz JUCGINOTVRXOLE-UHFFFAOYSA-N 1 1 392.315 4.369 20 0 GIADMO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186645114 822928735 /nfs/dbraw/zinc/92/87/35/822928735.db2.gz VYYFWFDEAJFLLQ-HJPURHCSSA-N 1 1 389.478 4.494 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000186649217 822929401 /nfs/dbraw/zinc/92/94/01/822929401.db2.gz RKPLADLISRFIOL-OPAMFIHVSA-N 1 1 375.451 4.185 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc(OC)c1OC ZINC000186653175 822929965 /nfs/dbraw/zinc/92/99/65/822929965.db2.gz CFIZYCPBUFIVOE-QKKBWIMNSA-N 1 1 399.466 4.025 20 0 GIADMO CC(C)c1ccc(NC(=S)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000055005161 822930053 /nfs/dbraw/zinc/93/00/53/822930053.db2.gz VSPGGAHCGCONMB-UHFFFAOYSA-N 1 1 383.561 4.494 20 0 GIADMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000569501242 822930653 /nfs/dbraw/zinc/93/06/53/822930653.db2.gz NCNSRBJFYNZKFE-RDTXWAMCSA-N 1 1 399.926 4.234 20 0 GIADMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000055030704 822932618 /nfs/dbraw/zinc/93/26/18/822932618.db2.gz HWSRGURLLSWVCG-UHFFFAOYSA-N 1 1 388.309 4.235 20 0 GIADMO COCC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@@H](C)c1ccccc1 ZINC000569520563 822933838 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20 0 GIADMO O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000569545589 822937803 /nfs/dbraw/zinc/93/78/03/822937803.db2.gz NJZGZMJVUYTPPH-HRAATJIYSA-N 1 1 390.487 4.011 20 0 GIADMO CCOc1cc(C[NH2+][C@@H]2COc3ccc(C)cc32)cc(Br)c1O ZINC000569552370 822939227 /nfs/dbraw/zinc/93/92/27/822939227.db2.gz UGYZDVJYVKSKQE-OAHLLOKOSA-N 1 1 378.266 4.085 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1Br ZINC000055152309 822941189 /nfs/dbraw/zinc/94/11/89/822941189.db2.gz MDLHHNDTVKGFDF-NEPJUHHUSA-N 1 1 395.272 4.275 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000457941089 822941329 /nfs/dbraw/zinc/94/13/29/822941329.db2.gz REHPQWMZSQRVNV-JTSKRJEESA-N 1 1 398.576 4.307 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1 ZINC000055209539 822945995 /nfs/dbraw/zinc/94/59/95/822945995.db2.gz BQNUMBPRAHNGHZ-UHFFFAOYSA-N 1 1 386.923 4.016 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000055209351 822946127 /nfs/dbraw/zinc/94/61/27/822946127.db2.gz CCUJZDYXJGBNIZ-AWEZNQCLSA-N 1 1 396.318 4.182 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000186734269 822947007 /nfs/dbraw/zinc/94/70/07/822947007.db2.gz BLHHFMFCEGQROL-UHFFFAOYSA-N 1 1 393.462 4.314 20 0 GIADMO CCOCc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000175369893 822949034 /nfs/dbraw/zinc/94/90/34/822949034.db2.gz PYDJICSOBGGGIH-XXBNENTESA-N 1 1 395.547 4.075 20 0 GIADMO C[N@@H+](CCCNC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)C1CCCCC1 ZINC000175375090 822950844 /nfs/dbraw/zinc/95/08/44/822950844.db2.gz VGVPFRLORZYVRZ-MOPGFXCFSA-N 1 1 393.597 4.000 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CC3CCN(C(=O)C(C)(C)C)CC3)nc2c1 ZINC000569675953 822954065 /nfs/dbraw/zinc/95/40/65/822954065.db2.gz LMUYODPOHVESEE-FQEVSTJZSA-N 1 1 382.552 4.293 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CC3CCN(C(=O)C(C)(C)C)CC3)[nH]c2c1 ZINC000569675953 822954069 /nfs/dbraw/zinc/95/40/69/822954069.db2.gz LMUYODPOHVESEE-FQEVSTJZSA-N 1 1 382.552 4.293 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@H+]3CC3CCN(C(=O)C(C)(C)C)CC3)[nH]c2c1 ZINC000569675953 822954071 /nfs/dbraw/zinc/95/40/71/822954071.db2.gz LMUYODPOHVESEE-FQEVSTJZSA-N 1 1 382.552 4.293 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000175390256 822956398 /nfs/dbraw/zinc/95/63/98/822956398.db2.gz AMSAVMJCJXGMAZ-PWECECGKSA-N 1 1 378.925 4.099 20 0 GIADMO Cc1csc([C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C2CC2)n1 ZINC000175399621 822959451 /nfs/dbraw/zinc/95/94/51/822959451.db2.gz NOPPBYNZKLPRMZ-IBGZPJMESA-N 1 1 386.565 4.242 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000175400138 822959476 /nfs/dbraw/zinc/95/94/76/822959476.db2.gz YHILXZUDWDRJJB-GDBMZVCRSA-N 1 1 377.941 4.254 20 0 GIADMO C[C@@H]1[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000569729965 822959664 /nfs/dbraw/zinc/95/96/64/822959664.db2.gz ZIHUSTMRCZKAGH-UZLBHIALSA-N 1 1 384.907 4.082 20 0 GIADMO 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/nfs/dbraw/zinc/96/50/56/822965056.db2.gz JHVZBOYIZSTHCP-UHFFFAOYSA-N 1 1 377.941 4.313 20 0 GIADMO CC(C)CCO[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000175423656 822965165 /nfs/dbraw/zinc/96/51/65/822965165.db2.gz PPSAWKPXPZBIJL-WVUPVLJSSA-N 1 1 399.579 4.029 20 0 GIADMO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458173800 822965352 /nfs/dbraw/zinc/96/53/52/822965352.db2.gz BUJCPUGCBIDSLP-HUUCEWRRSA-N 1 1 391.968 4.217 20 0 GIADMO CCCOc1ccc(CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000175426462 822965695 /nfs/dbraw/zinc/96/56/95/822965695.db2.gz MNCLERRCKKNTOX-QFIPXVFZSA-N 1 1 395.547 4.139 20 0 GIADMO CC(C)C[C@@H]1C[C@H]1NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000458180678 822965864 /nfs/dbraw/zinc/96/58/64/822965864.db2.gz BGTMDAFDBMHIQF-WIYYLYMNSA-N 1 1 396.535 4.040 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000458187154 822966469 /nfs/dbraw/zinc/96/64/69/822966469.db2.gz IDCSEFCGGUXPIB-AWEZNQCLSA-N 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AUKUAVCTDCERGZ-APWZRJJASA-N 1 1 391.943 4.222 20 0 GIADMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c4c(nc5ccccc53)/C(=C/c3ccco3)CC4)C[C@@H]21 ZINC000570020747 822998217 /nfs/dbraw/zinc/99/82/17/822998217.db2.gz BGTVIBUAUZUYKP-MCPAXTEJSA-N 1 1 399.494 4.091 20 0 GIADMO Cc1csc([C@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000175578510 823001285 /nfs/dbraw/zinc/00/12/85/823001285.db2.gz SKTRLYKMGCQTAT-QFBILLFUSA-N 1 1 386.565 4.112 20 0 GIADMO CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000175583076 823001963 /nfs/dbraw/zinc/00/19/63/823001963.db2.gz UKBHKSUYSVPBHD-OXQOHEQNSA-N 1 1 386.467 4.015 20 0 GIADMO CC1(C2CC2)CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 ZINC000570099918 823005729 /nfs/dbraw/zinc/00/57/29/823005729.db2.gz DTTUHNJYOXDJGO-SFHVURJKSA-N 1 1 381.476 4.062 20 0 GIADMO CC[C@H](Oc1ccccc1F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000175620918 823008139 /nfs/dbraw/zinc/00/81/39/823008139.db2.gz FDIWJHMLSSPKCN-GFSYIJCISA-N 1 1 396.506 4.295 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)N(C)CCc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175631435 823009789 /nfs/dbraw/zinc/00/97/89/823009789.db2.gz TWVWHXJEWCMMDV-AVRDEDQJSA-N 1 1 383.511 4.063 20 0 GIADMO CCN(C(=O)N[C@@H](C)c1cccc(O)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000570153073 823010891 /nfs/dbraw/zinc/01/08/91/823010891.db2.gz YXFIHBGHXWOMAR-UEXGIBASSA-N 1 1 381.520 4.320 20 0 GIADMO COc1ncc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000570160597 823011244 /nfs/dbraw/zinc/01/12/44/823011244.db2.gz FVIIDFSZUAOLPV-INIZCTEOSA-N 1 1 375.683 4.048 20 0 GIADMO CN1C(=O)CCc2cc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)ccc21 ZINC000187108777 823011631 /nfs/dbraw/zinc/01/16/31/823011631.db2.gz UDCHQYISNCEFHF-CTNGQTDRSA-N 1 1 382.504 4.057 20 0 GIADMO CCCN(CCc1ccccn1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175642828 823011630 /nfs/dbraw/zinc/01/16/30/823011630.db2.gz VCUTZRWVMVWEGZ-OFNKIYASSA-N 1 1 394.563 4.099 20 0 GIADMO C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187111638 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396.491 4.465 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000570369534 823030221 /nfs/dbraw/zinc/03/02/21/823030221.db2.gz RNKKHVNKUOKKNY-BWKNWUBXSA-N 1 1 394.559 4.070 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000570369534 823030224 /nfs/dbraw/zinc/03/02/24/823030224.db2.gz RNKKHVNKUOKKNY-BWKNWUBXSA-N 1 1 394.559 4.070 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1c[nH]c(=O)c2ccccc12 ZINC000570380410 823031758 /nfs/dbraw/zinc/03/17/58/823031758.db2.gz OVCFDEZHOPNOML-UHFFFAOYSA-N 1 1 382.489 4.025 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3ccc4cnn(C(C)C)c4c3)CC2)[nH+]c1 ZINC000175765640 823034613 /nfs/dbraw/zinc/03/46/13/823034613.db2.gz YVMDUOUGBXLISP-UHFFFAOYSA-N 1 1 392.507 4.111 20 0 GIADMO COCCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000570414049 823034674 /nfs/dbraw/zinc/03/46/74/823034674.db2.gz MNKDNLHJXYSJEY-UNMCSNQZSA-N 1 1 389.923 4.106 20 0 GIADMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000570415740 823035008 /nfs/dbraw/zinc/03/50/08/823035008.db2.gz HMEBZLBBEADBCA-UKRRQHHQSA-N 1 1 378.879 4.173 20 0 GIADMO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000175768149 823035432 /nfs/dbraw/zinc/03/54/32/823035432.db2.gz CPYYMVXNYFOACT-QZTJIDSGSA-N 1 1 389.590 4.179 20 0 GIADMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000175768149 823035437 /nfs/dbraw/zinc/03/54/37/823035437.db2.gz CPYYMVXNYFOACT-QZTJIDSGSA-N 1 1 389.590 4.179 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](Cc3ccccc3)c3cccs3)C2)C1 ZINC000458390224 823035666 /nfs/dbraw/zinc/03/56/66/823035666.db2.gz GNCYCSBNMOHREJ-DENIHFKCSA-N 1 1 383.561 4.159 20 0 GIADMO COc1ccccc1Oc1ccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000458388915 823035732 /nfs/dbraw/zinc/03/57/32/823035732.db2.gz YMLKQHUSRIOBJM-LJQANCHMSA-N 1 1 397.519 4.019 20 0 GIADMO CC(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000570423431 823035960 /nfs/dbraw/zinc/03/59/60/823035960.db2.gz NWMZQVJOJPGYHI-TZIWHRDSSA-N 1 1 385.600 4.120 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]3C)CC2)[nH+]1 ZINC000458393333 823036170 /nfs/dbraw/zinc/03/61/70/823036170.db2.gz JTHKJLZSHSYBRO-ARFHVFGLSA-N 1 1 398.473 4.120 20 0 GIADMO COC(=O)c1ccccc1CC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000187282600 823036347 /nfs/dbraw/zinc/03/63/47/823036347.db2.gz DDGAKCPKIOXCNY-UHFFFAOYSA-N 1 1 389.499 4.125 20 0 GIADMO O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCCn2c(cc3ccccc32)C1 ZINC000570426567 823036501 /nfs/dbraw/zinc/03/65/01/823036501.db2.gz VLAYQPAQEUMEHB-HSZRJFAPSA-N 1 1 391.490 4.177 20 0 GIADMO O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCCn2c(cc3ccccc32)C1 ZINC000570426567 823036503 /nfs/dbraw/zinc/03/65/03/823036503.db2.gz VLAYQPAQEUMEHB-HSZRJFAPSA-N 1 1 391.490 4.177 20 0 GIADMO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(Oc3ncccc3C)CC2)n1 ZINC000570438383 823038553 /nfs/dbraw/zinc/03/85/53/823038553.db2.gz GFFZOIHEKVRAQA-QGZVFWFLSA-N 1 1 378.476 4.353 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N[C@]2(C)C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000458445329 823041384 /nfs/dbraw/zinc/04/13/84/823041384.db2.gz YKMQLFUTHPPMID-YSNWRPKNSA-N 1 1 383.561 4.376 20 0 GIADMO CC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000570470400 823042158 /nfs/dbraw/zinc/04/21/58/823042158.db2.gz HYRDYNJUXKRNHP-KXBFYZLASA-N 1 1 386.458 4.127 20 0 GIADMO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000570470400 823042163 /nfs/dbraw/zinc/04/21/63/823042163.db2.gz HYRDYNJUXKRNHP-KXBFYZLASA-N 1 1 386.458 4.127 20 0 GIADMO CCOc1ccc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000175796309 823042361 /nfs/dbraw/zinc/04/23/61/823042361.db2.gz AWJNGCJYTZNISE-OAHLLOKOSA-N 1 1 379.460 4.079 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000175798257 823042835 /nfs/dbraw/zinc/04/28/35/823042835.db2.gz AKUQPSCFBAFFDC-AWEZNQCLSA-N 1 1 376.435 4.221 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000175798590 823043176 /nfs/dbraw/zinc/04/31/76/823043176.db2.gz SMFDOXVWDUKGPY-INIZCTEOSA-N 1 1 383.455 4.129 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000570486373 823044801 /nfs/dbraw/zinc/04/48/01/823044801.db2.gz VSXOIZJOBKCLMG-QFIPXVFZSA-N 1 1 375.472 4.401 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000123802864 823541947 /nfs/dbraw/zinc/54/19/47/823541947.db2.gz BQKLTKATPFXEGL-HXUWFJFHSA-N 1 1 397.910 4.061 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000177892834 823542447 /nfs/dbraw/zinc/54/24/47/823542447.db2.gz HJZJJSUMLBCFII-RTWAWAEBSA-N 1 1 398.551 4.296 20 0 GIADMO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(F)cc1Br ZINC000177904074 823544437 /nfs/dbraw/zinc/54/44/37/823544437.db2.gz BAHKITSZYVALPD-GFCCVEGCSA-N 1 1 375.245 4.020 20 0 GIADMO CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)ccc1OC ZINC000123848349 823545383 /nfs/dbraw/zinc/54/53/83/823545383.db2.gz RFJNNILQMFFQFS-PKOBYXMFSA-N 1 1 390.568 4.247 20 0 GIADMO C[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1cccc(Cl)c1 ZINC000460933140 823545429 /nfs/dbraw/zinc/54/54/29/823545429.db2.gz NDSXAFGJKUFRCF-KRWDZBQOSA-N 1 1 382.935 4.493 20 0 GIADMO CC(C)Cn1c(-c2ccoc2)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000460935718 823545799 /nfs/dbraw/zinc/54/57/99/823545799.db2.gz PREGFXYAAQBSND-UHFFFAOYSA-N 1 1 394.523 4.111 20 0 GIADMO CCSc1cc(Cl)ccc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000123854517 823546127 /nfs/dbraw/zinc/54/61/27/823546127.db2.gz FYJOEBIZTUSFTP-UHFFFAOYSA-N 1 1 377.941 4.280 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCSc2ccccc21 ZINC000460936598 823546184 /nfs/dbraw/zinc/54/61/84/823546184.db2.gz ZJJQBVOZVKVJNJ-APWZRJJASA-N 1 1 386.586 4.356 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000123856277 823546307 /nfs/dbraw/zinc/54/63/07/823546307.db2.gz AQVGQORGLNIBEN-DZGCQCFKSA-N 1 1 377.558 4.119 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sc(Cl)nc1C ZINC000177930596 823547450 /nfs/dbraw/zinc/54/74/50/823547450.db2.gz DTSNOVBYZIYLHD-MRXNPFEDSA-N 1 1 377.941 4.089 20 0 GIADMO Cc1ncc(/C=C/C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000123878866 823548668 /nfs/dbraw/zinc/54/86/68/823548668.db2.gz CNZBFSWKVJYHHV-LXPKZCDLSA-N 1 1 393.915 4.066 20 0 GIADMO CC1(C)C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC[C@@H]1C(F)(F)F ZINC000190191117 823548767 /nfs/dbraw/zinc/54/87/67/823548767.db2.gz CVBSPVUIXYMUTM-HNNXBMFYSA-N 1 1 397.466 4.319 20 0 GIADMO CC1(C)C[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC[C@@H]1C(F)(F)F ZINC000190191117 823548768 /nfs/dbraw/zinc/54/87/68/823548768.db2.gz CVBSPVUIXYMUTM-HNNXBMFYSA-N 1 1 397.466 4.319 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460961330 823551242 /nfs/dbraw/zinc/55/12/42/823551242.db2.gz UYZTZOTVLQHDSL-KDURUIRLSA-N 1 1 395.547 4.147 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123932308 823552762 /nfs/dbraw/zinc/55/27/62/823552762.db2.gz WDJHTHRKPZSKQP-YWZLYKJASA-N 1 1 385.870 4.383 20 0 GIADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460973605 823553649 /nfs/dbraw/zinc/55/36/49/823553649.db2.gz NMFIZCOQFHVCGA-KRWDZBQOSA-N 1 1 380.454 4.260 20 0 GIADMO Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2c1 ZINC000411169601 823553959 /nfs/dbraw/zinc/55/39/59/823553959.db2.gz RRIMEIYCGKPEKA-IBGZPJMESA-N 1 1 375.520 4.241 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000460983975 823555790 /nfs/dbraw/zinc/55/57/90/823555790.db2.gz VBFCKOZRKFZDSX-INIZCTEOSA-N 1 1 381.358 4.450 20 0 GIADMO CCOCCOCC[N@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000190249122 823555874 /nfs/dbraw/zinc/55/58/74/823555874.db2.gz BACPUAMOHAVFOY-GFCCVEGCSA-N 1 1 388.295 4.089 20 0 GIADMO CCOCCOCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000190249122 823555876 /nfs/dbraw/zinc/55/58/76/823555876.db2.gz BACPUAMOHAVFOY-GFCCVEGCSA-N 1 1 388.295 4.089 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123967526 823556316 /nfs/dbraw/zinc/55/63/16/823556316.db2.gz WYRCTSBENAPUTC-IERDGZPVSA-N 1 1 389.902 4.006 20 0 GIADMO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccncc1 ZINC000123975232 823556999 /nfs/dbraw/zinc/55/69/99/823556999.db2.gz IJFBKSLCYBJDKM-DAESXHAQSA-N 1 1 389.902 4.177 20 0 GIADMO Cc1nc(Cl)ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123976435 823557177 /nfs/dbraw/zinc/55/71/77/823557177.db2.gz CQAAUWUKYCDWQZ-SCLBCKFNSA-N 1 1 396.293 4.259 20 0 GIADMO C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H](CO)c1ccccc1 ZINC000411217610 823557870 /nfs/dbraw/zinc/55/78/70/823557870.db2.gz ANXHFEBRAAOGKR-NZQKXSOJSA-N 1 1 394.540 4.009 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000190270347 823558132 /nfs/dbraw/zinc/55/81/32/823558132.db2.gz FFXSCAUZJRTTIN-APWZRJJASA-N 1 1 389.471 4.300 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccn(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000190270347 823558134 /nfs/dbraw/zinc/55/81/34/823558134.db2.gz FFXSCAUZJRTTIN-APWZRJJASA-N 1 1 389.471 4.300 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000190270309 823558148 /nfs/dbraw/zinc/55/81/48/823558148.db2.gz FFXSCAUZJRTTIN-LPHOPBHVSA-N 1 1 389.471 4.300 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccn(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000190270309 823558150 /nfs/dbraw/zinc/55/81/50/823558150.db2.gz FFXSCAUZJRTTIN-LPHOPBHVSA-N 1 1 389.471 4.300 20 0 GIADMO O[C@@H](C[N@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190274352 823558325 /nfs/dbraw/zinc/55/83/25/823558325.db2.gz PBZAAPZSDUQRHN-FQEVSTJZSA-N 1 1 387.545 4.217 20 0 GIADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cc1ccc(Br)cc1 ZINC000060847825 823561923 /nfs/dbraw/zinc/56/19/23/823561923.db2.gz GUHXZBQJBPQRTR-AZUAARDMSA-N 1 1 399.332 4.135 20 0 GIADMO CC[C@@H](C(=O)N[C@@H]1c2ccccc2CC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000461033834 823562681 /nfs/dbraw/zinc/56/26/81/823562681.db2.gz MYMJAKCDZSXYFH-XZOQPEGZSA-N 1 1 392.543 4.107 20 0 GIADMO CCS[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)C1 ZINC000411298182 823563046 /nfs/dbraw/zinc/56/30/46/823563046.db2.gz NHDZUEDYGPVYBX-KBPBESRZSA-N 1 1 385.371 4.384 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1CC1CCCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000060892795 823565096 /nfs/dbraw/zinc/56/50/96/823565096.db2.gz XMVGSXZELPSCOV-HSZRJFAPSA-N 1 1 399.579 4.287 20 0 GIADMO O=C(CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccccc1Br ZINC000411340813 823565421 /nfs/dbraw/zinc/56/54/21/823565421.db2.gz YJWYJRDKJRAWKH-JKSUJKDBSA-N 1 1 383.355 4.138 20 0 GIADMO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1CCC(C)C ZINC000124076270 823565498 /nfs/dbraw/zinc/56/54/98/823565498.db2.gz QGSTYYVWHBSVHC-NQIIRXRSSA-N 1 1 382.552 4.021 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)CSCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000124077035 823565506 /nfs/dbraw/zinc/56/55/06/823565506.db2.gz OJZQOJXBBFAWJP-SWLSCSKDSA-N 1 1 375.365 4.168 20 0 GIADMO O=C(CC[NH2+][C@@H](c1nccs1)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000411349823 823565745 /nfs/dbraw/zinc/56/57/45/823565745.db2.gz DTSIGPBKRNFHRM-RBBKRZOGSA-N 1 1 391.540 4.406 20 0 GIADMO CCN1CC[C@H]([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382765 823568239 /nfs/dbraw/zinc/56/82/39/823568239.db2.gz FSJITHKBVMZYSA-RFWXGWTQSA-N 1 1 399.604 4.006 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382765 823568242 /nfs/dbraw/zinc/56/82/42/823568242.db2.gz FSJITHKBVMZYSA-RFWXGWTQSA-N 1 1 399.604 4.006 20 0 GIADMO O=C1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3Cl)CC[C@H]2N1C1CC1 ZINC000411397381 823570013 /nfs/dbraw/zinc/57/00/13/823570013.db2.gz LWTVUZJZPFZYLY-MLGOLLRUSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(Br)c3Cl)CC[C@H]2N1C1CC1 ZINC000411397381 823570016 /nfs/dbraw/zinc/57/00/16/823570016.db2.gz LWTVUZJZPFZYLY-MLGOLLRUSA-N 1 1 397.744 4.078 20 0 GIADMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124151380 823572264 /nfs/dbraw/zinc/57/22/64/823572264.db2.gz LGOATUNIUDLPNL-IBGZPJMESA-N 1 1 390.535 4.083 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCOC3CCCC3)cc2)C1 ZINC000061017585 823573363 /nfs/dbraw/zinc/57/33/63/823573363.db2.gz NOSQGNNXAFIDRR-LJQANCHMSA-N 1 1 387.568 4.067 20 0 GIADMO c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc(-c2ccncc2)c1 ZINC000124164219 823573742 /nfs/dbraw/zinc/57/37/42/823573742.db2.gz DRWDXAHUXGIZED-QFIPXVFZSA-N 1 1 387.531 4.446 20 0 GIADMO CC[C@@H]([NH2+]Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)c1cccc(Cl)c1 ZINC000411440598 823574381 /nfs/dbraw/zinc/57/43/81/823574381.db2.gz BXXWOALPNMONJL-MRXNPFEDSA-N 1 1 385.851 4.016 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)s1 ZINC000190458543 823577334 /nfs/dbraw/zinc/57/73/34/823577334.db2.gz HXCOWYKBXKJGCA-JTQLQIEISA-N 1 1 384.295 4.157 20 0 GIADMO Cc1cccc(COc2ccc([C@H](C)[NH2+]Cc3ccc(S(C)(=O)=O)o3)cc2)c1 ZINC000411460836 823577341 /nfs/dbraw/zinc/57/73/41/823577341.db2.gz IBAJIAATEIEAJQ-KRWDZBQOSA-N 1 1 399.512 4.421 20 0 GIADMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(O[C@@H](C)CC)c2)C1 ZINC000124214780 823577995 /nfs/dbraw/zinc/57/79/95/823577995.db2.gz VNDFDBPEGACACN-HKUYNNGSSA-N 1 1 376.541 4.001 20 0 GIADMO CCSc1ccc([C@H](C)[NH2+]Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc1 ZINC000411466525 823578117 /nfs/dbraw/zinc/57/81/17/823578117.db2.gz RXXOETMFEDRVDB-ZDUSSCGKSA-N 1 1 397.500 4.085 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc(N)nc(N(C)C)n1)c1ccccc1-c1ccc(Cl)cc1 ZINC000411472932 823578945 /nfs/dbraw/zinc/57/89/45/823578945.db2.gz URHYZQPMLMCMQU-ZIAGYGMSSA-N 1 1 396.926 4.082 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C(C)(C)C)cn1 ZINC000411477587 823579417 /nfs/dbraw/zinc/57/94/17/823579417.db2.gz SMDPDRYIQHMVIX-KRWDZBQOSA-N 1 1 397.504 4.267 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)C1 ZINC000190477987 823579489 /nfs/dbraw/zinc/57/94/89/823579489.db2.gz UJFMQVLYMXGNQQ-KKSFZXQISA-N 1 1 384.480 4.212 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000461111866 823579727 /nfs/dbraw/zinc/57/97/27/823579727.db2.gz LBASRSZDNORIAM-KRWDZBQOSA-N 1 1 380.275 4.204 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC[N@H+]1C ZINC000124239292 823580128 /nfs/dbraw/zinc/58/01/28/823580128.db2.gz RKYVLGFVEIJRDG-WIYYLYMNSA-N 1 1 388.515 4.094 20 0 GIADMO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000411490408 823581033 /nfs/dbraw/zinc/58/10/33/823581033.db2.gz SWSRJFLEKOSEOD-XZOQPEGZSA-N 1 1 394.946 4.493 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(OCc3noc(C)n3)cc2)c1 ZINC000124251901 823581184 /nfs/dbraw/zinc/58/11/84/823581184.db2.gz VTNPHIJDXQVHAW-OAQYLSRUSA-N 1 1 379.460 4.303 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccccc3N3CCOCC3)cc2)C1 ZINC000061162639 823581645 /nfs/dbraw/zinc/58/16/45/823581645.db2.gz SZYRYTWDTIOSHK-LJQANCHMSA-N 1 1 393.531 4.007 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccc(Br)cn1 ZINC000411515685 823583132 /nfs/dbraw/zinc/58/31/32/823583132.db2.gz IGHVCFBGGXJWQP-SECBINFHSA-N 1 1 391.235 4.071 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(Cl)cc2Br)C1 ZINC000124278522 823583347 /nfs/dbraw/zinc/58/33/47/823583347.db2.gz OPMCZFBCVWDYCJ-ZDUSSCGKSA-N 1 1 387.749 4.344 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(Oc4ccc(F)nc4)CC3)o2)cc1 ZINC000190542161 823584688 /nfs/dbraw/zinc/58/46/88/823584688.db2.gz PFJVRHORYUBGJZ-OAHLLOKOSA-N 1 1 382.439 4.184 20 0 GIADMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3ccccc3F)n2)cc1 ZINC000411525848 823584725 /nfs/dbraw/zinc/58/47/25/823584725.db2.gz BOWUSTVBPDWUOX-AWEZNQCLSA-N 1 1 382.439 4.118 20 0 GIADMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3cccc(F)c3)n2)cc1 ZINC000411537425 823586112 /nfs/dbraw/zinc/58/61/12/823586112.db2.gz SSXATTYVDXCWHY-CQSZACIVSA-N 1 1 382.439 4.118 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411537543 823586330 /nfs/dbraw/zinc/58/63/30/823586330.db2.gz VTWMKXBHOKXFJX-QZTJIDSGSA-N 1 1 399.966 4.415 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1)Nc1cccc(F)c1 ZINC000124314050 823586476 /nfs/dbraw/zinc/58/64/76/823586476.db2.gz PSHOZCUMFBXRCJ-SFHVURJKSA-N 1 1 392.478 4.408 20 0 GIADMO CC(C)([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000411542430 823586700 /nfs/dbraw/zinc/58/67/00/823586700.db2.gz PXUWISCNIXQMLH-UHFFFAOYSA-N 1 1 393.381 4.294 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@H](C)c1nncn1C ZINC000411542497 823586738 /nfs/dbraw/zinc/58/67/38/823586738.db2.gz YIVZPDJOIZZUEX-LLVKDONJSA-N 1 1 381.427 4.117 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000190592754 823589243 /nfs/dbraw/zinc/58/92/43/823589243.db2.gz FURZXSJYYHTUSV-QVKFZJNVSA-N 1 1 375.472 4.184 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(COc3ccc(C)nc3)c2)c1 ZINC000124353167 823589434 /nfs/dbraw/zinc/58/94/34/823589434.db2.gz RPRJQYJYWVTRGR-UHFFFAOYSA-N 1 1 399.454 4.110 20 0 GIADMO COC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000061286100 823589615 /nfs/dbraw/zinc/58/96/15/823589615.db2.gz GYFFOKXKXHACPT-QGZVFWFLSA-N 1 1 395.503 4.027 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC[N@H+]1C ZINC000124364136 823590508 /nfs/dbraw/zinc/59/05/08/823590508.db2.gz NAGMMGCBYXVQQV-ZBFHGGJFSA-N 1 1 398.551 4.244 20 0 GIADMO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000411618893 823591268 /nfs/dbraw/zinc/59/12/68/823591268.db2.gz JMESVUAJMHTTJR-QFIPXVFZSA-N 1 1 397.544 4.437 20 0 GIADMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000411618893 823591269 /nfs/dbraw/zinc/59/12/69/823591269.db2.gz JMESVUAJMHTTJR-QFIPXVFZSA-N 1 1 397.544 4.437 20 0 GIADMO O=C(CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1ccccc1Cl ZINC000411631004 823592575 /nfs/dbraw/zinc/59/25/75/823592575.db2.gz LFISYSZMHMDACE-UHFFFAOYSA-N 1 1 390.886 4.489 20 0 GIADMO COc1ccc([C@H](NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c2ccccc2)cc1 ZINC000061349234 823592930 /nfs/dbraw/zinc/59/29/30/823592930.db2.gz UHTWJUTXDBTZBI-SELNLUPBSA-N 1 1 395.547 4.204 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1)C1CC1 ZINC000461188711 823595461 /nfs/dbraw/zinc/59/54/61/823595461.db2.gz LFQBRTOSLHIEAY-UHFFFAOYSA-N 1 1 386.499 4.058 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000411662988 823595668 /nfs/dbraw/zinc/59/56/68/823595668.db2.gz OUJFSDFKYPFZRT-JYRKZWEQSA-N 1 1 388.552 4.066 20 0 GIADMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(-c2ncco2)cc1F ZINC000411677446 823596542 /nfs/dbraw/zinc/59/65/42/823596542.db2.gz RAXILCIQVHUPFP-UZUQRXQVSA-N 1 1 396.462 4.023 20 0 GIADMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000411678947 823596664 /nfs/dbraw/zinc/59/66/64/823596664.db2.gz MJBLJPPSNVAXKQ-KRWDZBQOSA-N 1 1 378.879 4.251 20 0 GIADMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000411678947 823596667 /nfs/dbraw/zinc/59/66/67/823596667.db2.gz MJBLJPPSNVAXKQ-KRWDZBQOSA-N 1 1 378.879 4.251 20 0 GIADMO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cc2)n1 ZINC000061433720 823597170 /nfs/dbraw/zinc/59/71/70/823597170.db2.gz GAARXTAJZSLPDG-YYDVJCTNSA-N 1 1 394.563 4.026 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000190684029 823598180 /nfs/dbraw/zinc/59/81/80/823598180.db2.gz ZGDBQIASRPZVNG-SFTDATJTSA-N 1 1 395.547 4.308 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000124458330 823598439 /nfs/dbraw/zinc/59/84/39/823598439.db2.gz CFKYNLKDIJQVCO-IBGZPJMESA-N 1 1 393.531 4.037 20 0 GIADMO C[C@H](CNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000061471399 823599373 /nfs/dbraw/zinc/59/93/73/823599373.db2.gz LMJKPXHPDJBJBU-JXXFODFXSA-N 1 1 389.540 4.396 20 0 GIADMO CC[C@@H](NC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1)c1cccs1 ZINC000190699436 823599669 /nfs/dbraw/zinc/59/96/69/823599669.db2.gz FBKXARVFANKFGH-JKSUJKDBSA-N 1 1 392.594 4.128 20 0 GIADMO CCN1C[C@@H](C)[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)[C@H](C)C1 ZINC000411722048 823599917 /nfs/dbraw/zinc/59/99/17/823599917.db2.gz PYHVDHHXOUJYSJ-RTBURBONSA-N 1 1 381.520 4.222 20 0 GIADMO O=C(CC[N@H+]1CCCC[C@H]1c1cc[nH]n1)NC(c1ccccc1)c1ccccc1 ZINC000411725154 823600443 /nfs/dbraw/zinc/60/04/43/823600443.db2.gz VWKFBMNDXAXLJC-QFIPXVFZSA-N 1 1 388.515 4.233 20 0 GIADMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000411730739 823600594 /nfs/dbraw/zinc/60/05/94/823600594.db2.gz IYUBZEAIOUBXRH-IBGZPJMESA-N 1 1 398.894 4.391 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCCOC1CCCCC1 ZINC000061523385 823601219 /nfs/dbraw/zinc/60/12/19/823601219.db2.gz JQQODWGRTLVSSZ-UHFFFAOYSA-N 1 1 375.557 4.065 20 0 GIADMO C[C@H]([N@H+](C)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C(C)(C)O ZINC000411799278 823605872 /nfs/dbraw/zinc/60/58/72/823605872.db2.gz VGCQAXSQSJADOD-NSHDSACASA-N 1 1 391.924 4.309 20 0 GIADMO C[C@H]([N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C(C)(C)O ZINC000411799278 823605877 /nfs/dbraw/zinc/60/58/77/823605877.db2.gz VGCQAXSQSJADOD-NSHDSACASA-N 1 1 391.924 4.309 20 0 GIADMO C[C@@H]([N@H+](C)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C(C)(C)O ZINC000411799276 823605979 /nfs/dbraw/zinc/60/59/79/823605979.db2.gz VGCQAXSQSJADOD-LLVKDONJSA-N 1 1 391.924 4.309 20 0 GIADMO C[C@@H]([N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C(C)(C)O ZINC000411799276 823605980 /nfs/dbraw/zinc/60/59/80/823605980.db2.gz VGCQAXSQSJADOD-LLVKDONJSA-N 1 1 391.924 4.309 20 0 GIADMO Cc1nc2cc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)ccc2n1-c1ccccc1 ZINC000461258986 823606590 /nfs/dbraw/zinc/60/65/90/823606590.db2.gz DOLHAFGAOVEOCM-HXUWFJFHSA-N 1 1 390.531 4.280 20 0 GIADMO C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461259381 823606710 /nfs/dbraw/zinc/60/67/10/823606710.db2.gz BXJSEPQGHNANFN-QUCCMNQESA-N 1 1 395.547 4.177 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCCC(=O)c1ccccc1 ZINC000061624051 823606795 /nfs/dbraw/zinc/60/67/95/823606795.db2.gz SOGCZTSWKJGPFU-UHFFFAOYSA-N 1 1 375.472 4.240 20 0 GIADMO Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc12 ZINC000461260427 823607062 /nfs/dbraw/zinc/60/70/62/823607062.db2.gz VJDMZHZYEYVEEJ-KRWDZBQOSA-N 1 1 396.560 4.342 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000461261693 823607435 /nfs/dbraw/zinc/60/74/35/823607435.db2.gz XOEFFFQMMANXNP-XIRDDKMYSA-N 1 1 384.442 4.022 20 0 GIADMO CCSCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190781466 823608082 /nfs/dbraw/zinc/60/80/82/823608082.db2.gz VGNISCXDCMYIAA-CQSZACIVSA-N 1 1 382.327 4.389 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461271599 823609906 /nfs/dbraw/zinc/60/99/06/823609906.db2.gz MFIXKSDVZDCNQI-KRWDZBQOSA-N 1 1 375.513 4.204 20 0 GIADMO COc1cccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1OC(F)F ZINC000124599874 823610158 /nfs/dbraw/zinc/61/01/58/823610158.db2.gz ADMIAFWDKLZFLE-IBGZPJMESA-N 1 1 377.431 4.242 20 0 GIADMO CCc1c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cnn1-c1cccc(Cl)c1 ZINC000461273350 823610387 /nfs/dbraw/zinc/61/03/87/823610387.db2.gz SFEIAFYYJAWGSP-KRWDZBQOSA-N 1 1 388.943 4.035 20 0 GIADMO CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000061739271 823610447 /nfs/dbraw/zinc/61/04/47/823610447.db2.gz WLQUOGAJPBDQQW-RTBURBONSA-N 1 1 387.568 4.190 20 0 GIADMO C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000061780250 823613965 /nfs/dbraw/zinc/61/39/65/823613965.db2.gz SBGPIWLSHHCADV-JKSUJKDBSA-N 1 1 376.447 4.028 20 0 GIADMO C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000061780250 823613968 /nfs/dbraw/zinc/61/39/68/823613968.db2.gz SBGPIWLSHHCADV-JKSUJKDBSA-N 1 1 376.447 4.028 20 0 GIADMO Cc1cc(C)c(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)c(C)c1 ZINC000061788866 823614230 /nfs/dbraw/zinc/61/42/30/823614230.db2.gz YCESBHCFHQHSCZ-UHFFFAOYSA-N 1 1 383.561 4.482 20 0 GIADMO C[C@H](Cc1ccccc1F)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788254 823614243 /nfs/dbraw/zinc/61/42/43/823614243.db2.gz BMRKEWUZEJABQL-MRXNPFEDSA-N 1 1 387.524 4.127 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000411932928 823614984 /nfs/dbraw/zinc/61/49/84/823614984.db2.gz GFTPUKAOEGCBJB-MOPGFXCFSA-N 1 1 383.289 4.305 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000190842702 823615292 /nfs/dbraw/zinc/61/52/92/823615292.db2.gz NIWIPRQGUDVBQU-UHFFFAOYSA-N 1 1 398.429 4.105 20 0 GIADMO CC[N@H+](CC(=O)N(C)C(C)C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000061799919 823615457 /nfs/dbraw/zinc/61/54/57/823615457.db2.gz XATINERRQKMFNZ-UHFFFAOYSA-N 1 1 390.549 4.024 20 0 GIADMO CC[N@@H+](CC(=O)N(C)C(C)C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000061799919 823615458 /nfs/dbraw/zinc/61/54/58/823615458.db2.gz XATINERRQKMFNZ-UHFFFAOYSA-N 1 1 390.549 4.024 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000411962720 823617028 /nfs/dbraw/zinc/61/70/28/823617028.db2.gz VDJMEZBZCMZFBQ-LADGPHEKSA-N 1 1 380.507 4.242 20 0 GIADMO COc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1F ZINC000061868728 823617029 /nfs/dbraw/zinc/61/70/29/823617029.db2.gz ILSIATSCFKWTNK-QGZVFWFLSA-N 1 1 399.510 4.066 20 0 GIADMO C[C@H](c1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1)C(F)(F)F ZINC000411973417 823617298 /nfs/dbraw/zinc/61/72/98/823617298.db2.gz QIGLPHAJPQHGAJ-ZMYBRWDISA-N 1 1 376.422 4.053 20 0 GIADMO COc1ccc(C2(C[NH2+]Cc3c(O)ccc(Cl)c3F)CCOCC2)cc1 ZINC000190865081 823617775 /nfs/dbraw/zinc/61/77/75/823617775.db2.gz RLVDCVVUNFGCNN-UHFFFAOYSA-N 1 1 379.859 4.031 20 0 GIADMO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411981674 823617872 /nfs/dbraw/zinc/61/78/72/823617872.db2.gz BSNUFWPXHRRAGT-YADARESESA-N 1 1 392.543 4.280 20 0 GIADMO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411981674 823617877 /nfs/dbraw/zinc/61/78/77/823617877.db2.gz BSNUFWPXHRRAGT-YADARESESA-N 1 1 392.543 4.280 20 0 GIADMO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)n1Cc1cccs1 ZINC000461325382 823617905 /nfs/dbraw/zinc/61/79/05/823617905.db2.gz QKVNPVLJBLXCGQ-JZXOWHBKSA-N 1 1 375.586 4.068 20 0 GIADMO C[C@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000411981782 823617976 /nfs/dbraw/zinc/61/79/76/823617976.db2.gz IZSLBAYLIMOLEY-INIZCTEOSA-N 1 1 382.895 4.096 20 0 GIADMO C[C@H]1CN(Cc2nnc(-c3cccc(Cl)c3)o2)CC[N@H+]1Cc1ccccc1 ZINC000411981782 823617977 /nfs/dbraw/zinc/61/79/77/823617977.db2.gz IZSLBAYLIMOLEY-INIZCTEOSA-N 1 1 382.895 4.096 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1nc(C)c(C)s1)C(C)C ZINC000411986602 823618176 /nfs/dbraw/zinc/61/81/76/823618176.db2.gz PRATWHDVYFCQAK-MRXNPFEDSA-N 1 1 380.579 4.132 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1nc(C)c(C)s1)C(C)C ZINC000411986602 823618177 /nfs/dbraw/zinc/61/81/77/823618177.db2.gz PRATWHDVYFCQAK-MRXNPFEDSA-N 1 1 380.579 4.132 20 0 GIADMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411987991 823618434 /nfs/dbraw/zinc/61/84/34/823618434.db2.gz NLNQPGHBZXCKCC-WMZHIEFXSA-N 1 1 378.516 4.060 20 0 GIADMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411987991 823618438 /nfs/dbraw/zinc/61/84/38/823618438.db2.gz NLNQPGHBZXCKCC-WMZHIEFXSA-N 1 1 378.516 4.060 20 0 GIADMO CSc1cccc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000411990724 823618698 /nfs/dbraw/zinc/61/86/98/823618698.db2.gz RSLRXBFUFFJKQJ-OAQYLSRUSA-N 1 1 382.529 4.201 20 0 GIADMO CSc1cccc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000411990724 823618699 /nfs/dbraw/zinc/61/86/99/823618699.db2.gz RSLRXBFUFFJKQJ-OAQYLSRUSA-N 1 1 382.529 4.201 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000411991611 823618706 /nfs/dbraw/zinc/61/87/06/823618706.db2.gz UVZWMUJPFZBVBP-NWSQWKLXSA-N 1 1 382.548 4.021 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000411991611 823618708 /nfs/dbraw/zinc/61/87/08/823618708.db2.gz UVZWMUJPFZBVBP-NWSQWKLXSA-N 1 1 382.548 4.021 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc(Cl)ccc2Br)C1 ZINC000125128521 823653639 /nfs/dbraw/zinc/65/36/39/823653639.db2.gz VXFGYRZKFBRADF-CYBMUJFWSA-N 1 1 387.749 4.344 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(C)c1 ZINC000411994807 823619219 /nfs/dbraw/zinc/61/92/19/823619219.db2.gz BHCHDJAIVWLALQ-DENIHFKCSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(C)c1 ZINC000411994807 823619221 /nfs/dbraw/zinc/61/92/21/823619221.db2.gz BHCHDJAIVWLALQ-DENIHFKCSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000461335463 823619617 /nfs/dbraw/zinc/61/96/17/823619617.db2.gz WSKVBSMOOGCCHU-MRXNPFEDSA-N 1 1 381.358 4.164 20 0 GIADMO Cc1cc(C(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(C)n1C1CC1 ZINC000411996394 823619627 /nfs/dbraw/zinc/61/96/27/823619627.db2.gz GPTMEAPBLJHYJX-HSZRJFAPSA-N 1 1 378.516 4.476 20 0 GIADMO Cc1cc(C(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(C)n1C1CC1 ZINC000411996394 823619629 /nfs/dbraw/zinc/61/96/29/823619629.db2.gz GPTMEAPBLJHYJX-HSZRJFAPSA-N 1 1 378.516 4.476 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411996703 823619670 /nfs/dbraw/zinc/61/96/70/823619670.db2.gz HFFDXBNKGPCIMW-UWJYYQICSA-N 1 1 382.479 4.315 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411996703 823619671 /nfs/dbraw/zinc/61/96/71/823619671.db2.gz HFFDXBNKGPCIMW-UWJYYQICSA-N 1 1 382.479 4.315 20 0 GIADMO CC(C)Oc1cccc([C@@H](C)NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000061960213 823620017 /nfs/dbraw/zinc/62/00/17/823620017.db2.gz PZQZCPJOMPCITF-LJQANCHMSA-N 1 1 395.547 4.282 20 0 GIADMO CC[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1ccc(F)cc1 ZINC000461336738 823620046 /nfs/dbraw/zinc/62/00/46/823620046.db2.gz FDHRIHAWHWSYLO-QHCPKHFHSA-N 1 1 380.507 4.369 20 0 GIADMO C[C@@H](NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000061959947 823620035 /nfs/dbraw/zinc/62/00/35/823620035.db2.gz ZNXNCTGGKCXBCX-OWCLPIDISA-N 1 1 383.483 4.016 20 0 GIADMO CSc1ccc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412000474 823620228 /nfs/dbraw/zinc/62/02/28/823620228.db2.gz OIYSNJVJKDXCIW-OAQYLSRUSA-N 1 1 382.529 4.201 20 0 GIADMO CSc1ccc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412000474 823620230 /nfs/dbraw/zinc/62/02/30/823620230.db2.gz OIYSNJVJKDXCIW-OAQYLSRUSA-N 1 1 382.529 4.201 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412001444 823620442 /nfs/dbraw/zinc/62/04/42/823620442.db2.gz PZHRPMLNJXVNMQ-QHCPKHFHSA-N 1 1 392.499 4.072 20 0 GIADMO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412003988 823621152 /nfs/dbraw/zinc/62/11/52/823621152.db2.gz YAULTLKIIBHKQM-DHIUTWEWSA-N 1 1 392.543 4.450 20 0 GIADMO CCOc1ccc(NC(=O)CC[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412006047 823621539 /nfs/dbraw/zinc/62/15/39/823621539.db2.gz BFLZALZFYOUEQO-HSZRJFAPSA-N 1 1 394.515 4.268 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000124739994 823622417 /nfs/dbraw/zinc/62/24/17/823622417.db2.gz CCTGTVCRNOZHIS-UHFFFAOYSA-N 1 1 383.540 4.265 20 0 GIADMO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000461363415 823623160 /nfs/dbraw/zinc/62/31/60/823623160.db2.gz QJDURYUBULIFIS-JOCHJYFZSA-N 1 1 399.604 4.452 20 0 GIADMO O=C(Nc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1)c1cccnc1 ZINC000190912645 823623298 /nfs/dbraw/zinc/62/32/98/823623298.db2.gz VBKJQKPXZDLSHS-UHFFFAOYSA-N 1 1 385.826 4.122 20 0 GIADMO CCC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C[C@H]1CCCCO1 ZINC000461364556 823623364 /nfs/dbraw/zinc/62/33/64/823623364.db2.gz VQWFSVLSAKAWJM-MRXNPFEDSA-N 1 1 375.538 4.458 20 0 GIADMO CCC[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C[C@H]1CCCCO1 ZINC000461364556 823623365 /nfs/dbraw/zinc/62/33/65/823623365.db2.gz VQWFSVLSAKAWJM-MRXNPFEDSA-N 1 1 375.538 4.458 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[NH2+][C@@H](C)c1csnn1 ZINC000412032729 823623638 /nfs/dbraw/zinc/62/36/38/823623638.db2.gz DROKDRHYGZYCBO-LBPRGKRZSA-N 1 1 380.945 4.386 20 0 GIADMO O=C(COc1ccc2ccccc2c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062231511 823625315 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CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063463826 823673233 /nfs/dbraw/zinc/67/32/33/823673233.db2.gz DZDAOESFXDEPDX-JOCHJYFZSA-N 1 1 395.547 4.139 20 0 GIADMO O=C(NCc1nc2ccccc2s1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464534 823673406 /nfs/dbraw/zinc/67/34/06/823673406.db2.gz PZQFDIQOCASMEC-GOSISDBHSA-N 1 1 394.544 4.008 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000461641645 823674151 /nfs/dbraw/zinc/67/41/51/823674151.db2.gz RNAGZQNEAHVECR-AWEZNQCLSA-N 1 1 379.957 4.243 20 0 GIADMO Fc1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c2c(c1)COCO2 ZINC000191343507 823674384 /nfs/dbraw/zinc/67/43/84/823674384.db2.gz DWQYXFRMXDKPTJ-UHFFFAOYSA-N 1 1 378.447 4.332 20 0 GIADMO Fc1cc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c2c(c1)COCO2 ZINC000191343507 823674385 /nfs/dbraw/zinc/67/43/85/823674385.db2.gz DWQYXFRMXDKPTJ-UHFFFAOYSA-N 1 1 378.447 4.332 20 0 GIADMO Cc1c(-c2cc(C[N@@H+](CCc3ccccc3)Cc3cccnc3)on2)cnn1C ZINC000191351595 823675421 /nfs/dbraw/zinc/67/54/21/823675421.db2.gz PWCBLPZOTYPBAE-UHFFFAOYSA-N 1 1 387.487 4.023 20 0 GIADMO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000063484737 823675579 /nfs/dbraw/zinc/67/55/79/823675579.db2.gz CMHVNFKNAKDGSW-PKOBYXMFSA-N 1 1 383.385 4.421 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)cc1OC ZINC000191355276 823675786 /nfs/dbraw/zinc/67/57/86/823675786.db2.gz IPGQDPIKAPSJKV-LBPRGKRZSA-N 1 1 396.329 4.403 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000191359288 823676295 /nfs/dbraw/zinc/67/62/95/823676295.db2.gz ZCTQZRMGFWMZLX-QGZVFWFLSA-N 1 1 380.540 4.343 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000191359288 823676296 /nfs/dbraw/zinc/67/62/96/823676296.db2.gz ZCTQZRMGFWMZLX-QGZVFWFLSA-N 1 1 380.540 4.343 20 0 GIADMO Cc1nn(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c(=O)c2ccccc12 ZINC000063506808 823676945 /nfs/dbraw/zinc/67/69/45/823676945.db2.gz MWNNXHWLDDBVNW-UHFFFAOYSA-N 1 1 398.304 4.094 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2ccccc2Oc2cccnc2)C2CC2)cc1 ZINC000063518004 823677461 /nfs/dbraw/zinc/67/74/61/823677461.db2.gz JNTBLSHKDWOYGC-UHFFFAOYSA-N 1 1 387.483 4.398 20 0 GIADMO Cc1ccc(Sc2ncccc2C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1 ZINC000063530785 823677761 /nfs/dbraw/zinc/67/77/61/823677761.db2.gz XLOCVCOCJMHUDC-SFHVURJKSA-N 1 1 383.561 4.310 20 0 GIADMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000125493171 823680590 /nfs/dbraw/zinc/68/05/90/823680590.db2.gz ZNRGGSNUQWTPGZ-SFHVURJKSA-N 1 1 376.500 4.007 20 0 GIADMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000125499592 823681105 /nfs/dbraw/zinc/68/11/05/823681105.db2.gz JDBAIZDFDAEFSE-INIZCTEOSA-N 1 1 386.467 4.087 20 0 GIADMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C(C)C)C1CCOCC1)c1ccccc1 ZINC000125503287 823681250 /nfs/dbraw/zinc/68/12/50/823681250.db2.gz JAMRDYLAFLGECQ-UKILVPOCSA-N 1 1 397.559 4.351 20 0 GIADMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C(C)C)C1CCOCC1)c1ccccc1 ZINC000125502843 823681257 /nfs/dbraw/zinc/68/12/57/823681257.db2.gz JAMRDYLAFLGECQ-ILBGXUMGSA-N 1 1 397.559 4.351 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccccc1 ZINC000063605202 823682755 /nfs/dbraw/zinc/68/27/55/823682755.db2.gz GRSOTKMALXWPHT-SFHVURJKSA-N 1 1 375.310 4.148 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125532431 823683139 /nfs/dbraw/zinc/68/31/39/823683139.db2.gz ODQFNNPLGRVJJW-OAHLLOKOSA-N 1 1 396.478 4.429 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@@H](O)c4c(F)cccc4F)CC3)c2c1 ZINC000125540785 823683640 /nfs/dbraw/zinc/68/36/40/823683640.db2.gz DKCLWEUNVACREW-OAQYLSRUSA-N 1 1 384.426 4.277 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@@H](O)c4c(F)cccc4F)CC3)c2c1 ZINC000125540785 823683641 /nfs/dbraw/zinc/68/36/41/823683641.db2.gz DKCLWEUNVACREW-OAQYLSRUSA-N 1 1 384.426 4.277 20 0 GIADMO Fc1cccc(Cl)c1CC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000125546340 823684113 /nfs/dbraw/zinc/68/41/13/823684113.db2.gz XWSGZUNBXDGOCZ-OAHLLOKOSA-N 1 1 376.907 4.219 20 0 GIADMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1C ZINC000063626140 823684680 /nfs/dbraw/zinc/68/46/80/823684680.db2.gz VWMUAEQWBBVOMI-XZOQPEGZSA-N 1 1 396.506 4.180 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000461716807 823686749 /nfs/dbraw/zinc/68/67/49/823686749.db2.gz QDMVNBGQINJXHM-DENIHFKCSA-N 1 1 380.536 4.229 20 0 GIADMO S=C(Nc1ccc2ccccc2c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000063675664 823688511 /nfs/dbraw/zinc/68/85/11/823688511.db2.gz GGMRLTRHGMSTNI-UHFFFAOYSA-N 1 1 381.570 4.458 20 0 GIADMO COc1ccccc1/C=C(/C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000063693804 823689786 /nfs/dbraw/zinc/68/97/86/823689786.db2.gz GNNZDKIYLKJNDO-OGTCDWKQSA-N 1 1 392.543 4.472 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000063723901 823691734 /nfs/dbraw/zinc/69/17/34/823691734.db2.gz DJWZODDXMLZCRL-UHFFFAOYSA-N 1 1 382.504 4.191 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000063724958 823691948 /nfs/dbraw/zinc/69/19/48/823691948.db2.gz CWXLVYHRZYUCQC-UHFFFAOYSA-N 1 1 388.515 4.243 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)o2)c(C)c1 ZINC000063727827 823692365 /nfs/dbraw/zinc/69/23/65/823692365.db2.gz HSTBFIJWRJMOAR-UHFFFAOYSA-N 1 1 384.520 4.422 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000125650407 823693465 /nfs/dbraw/zinc/69/34/65/823693465.db2.gz DCQMQSGSQDHQNK-MRXNPFEDSA-N 1 1 389.569 4.483 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(OCC(C)C)c3)c2C1 ZINC000125651170 823693490 /nfs/dbraw/zinc/69/34/90/823693490.db2.gz PNGZIGIAMLXXQP-UHFFFAOYSA-N 1 1 395.503 4.024 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(OCC(C)C)c3)c2C1 ZINC000125651170 823693494 /nfs/dbraw/zinc/69/34/94/823693494.db2.gz PNGZIGIAMLXXQP-UHFFFAOYSA-N 1 1 395.503 4.024 20 0 GIADMO CCCc1c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cnn1Cc1ccccc1 ZINC000063757974 823693672 /nfs/dbraw/zinc/69/36/72/823693672.db2.gz NAJGOFVIWXWRLW-FQEVSTJZSA-N 1 1 396.579 4.268 20 0 GIADMO CCC[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 ZINC000063761661 823693977 /nfs/dbraw/zinc/69/39/77/823693977.db2.gz KZKXGVKHXRHSHE-UHFFFAOYSA-N 1 1 378.419 4.244 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000063758620 823693985 /nfs/dbraw/zinc/69/39/85/823693985.db2.gz WTZHBOBISDVGHR-CALCHBBNSA-N 1 1 388.943 4.014 20 0 GIADMO Cc1ccc(CC[N@@H+](Cc2ccco2)Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000461774277 823694077 /nfs/dbraw/zinc/69/40/77/823694077.db2.gz SFSBCZRCPXXWIN-UHFFFAOYSA-N 1 1 387.483 4.149 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000191519546 823694793 /nfs/dbraw/zinc/69/47/93/823694793.db2.gz LWCAPVXFMZLHSG-INIZCTEOSA-N 1 1 376.932 4.147 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cc1)C1CC1 ZINC000125673958 823695650 /nfs/dbraw/zinc/69/56/50/823695650.db2.gz AYKPWOHBJZOJIQ-INIZCTEOSA-N 1 1 390.487 4.212 20 0 GIADMO COCCN(C)c1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cn1 ZINC000191538659 823697570 /nfs/dbraw/zinc/69/75/70/823697570.db2.gz MEBKAVJFWBVQAT-QGZVFWFLSA-N 1 1 385.405 4.087 20 0 GIADMO C[NH+]1CCN(CCCSc2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000412984839 823697675 /nfs/dbraw/zinc/69/76/75/823697675.db2.gz RDALJGVKYDKXBQ-UHFFFAOYSA-N 1 1 378.545 4.026 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 ZINC000063827083 823699871 /nfs/dbraw/zinc/69/98/71/823699871.db2.gz ZFUMLRIIENQBMU-UHFFFAOYSA-N 1 1 375.513 4.142 20 0 GIADMO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000574317681 823701831 /nfs/dbraw/zinc/70/18/31/823701831.db2.gz ZHKPNUSKQHKXPY-WMLDXEAASA-N 1 1 396.491 4.161 20 0 GIADMO C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000574317681 823701834 /nfs/dbraw/zinc/70/18/34/823701834.db2.gz ZHKPNUSKQHKXPY-WMLDXEAASA-N 1 1 396.491 4.161 20 0 GIADMO CC(C)[C@@H]1CCC[N@@H+]1Cn1nc(COc2ccccc2Cl)n(C)c1=S ZINC000063858850 823702979 /nfs/dbraw/zinc/70/29/79/823702979.db2.gz AHZLRLDVWHSQEX-HNNXBMFYSA-N 1 1 380.945 4.261 20 0 GIADMO CC(C)[C@@H]1CCC[N@H+]1Cn1nc(COc2ccccc2Cl)n(C)c1=S ZINC000063858850 823702981 /nfs/dbraw/zinc/70/29/81/823702981.db2.gz AHZLRLDVWHSQEX-HNNXBMFYSA-N 1 1 380.945 4.261 20 0 GIADMO Cc1ccc([C@H](CN[C@H](C)c2ccc(Br)cn2)[NH+]2CCCC2)o1 ZINC000574340211 823704746 /nfs/dbraw/zinc/70/47/46/823704746.db2.gz MMFQYIBAQPWFOJ-PBHICJAKSA-N 1 1 378.314 4.233 20 0 GIADMO COc1ccc2oc(C[NH2+]CC3(N[C@@H](C)c4ccccc4)CCOCC3)cc2c1 ZINC000125766250 823706004 /nfs/dbraw/zinc/70/60/04/823706004.db2.gz HCGSKKKCBJUWPG-SFHVURJKSA-N 1 1 394.515 4.431 20 0 GIADMO O=C(C[C@H]1CCC[N@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350117 823706373 /nfs/dbraw/zinc/70/63/73/823706373.db2.gz ODONECXTJIPVRG-NHCUHLMSSA-N 1 1 398.572 4.076 20 0 GIADMO O=C(C[C@H]1CCCN1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350117 823706378 /nfs/dbraw/zinc/70/63/78/823706378.db2.gz ODONECXTJIPVRG-NHCUHLMSSA-N 1 1 398.572 4.076 20 0 GIADMO O=C(C[C@H]1CCCN1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350117 823706381 /nfs/dbraw/zinc/70/63/81/823706381.db2.gz ODONECXTJIPVRG-NHCUHLMSSA-N 1 1 398.572 4.076 20 0 GIADMO C[C@H](Cc1ccccc1F)C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000574351836 823706963 /nfs/dbraw/zinc/70/69/63/823706963.db2.gz JIZZVMUZUFZPDO-DYESRHJHSA-N 1 1 380.463 4.245 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)c1cccc(Br)c1 ZINC000125779606 823708687 /nfs/dbraw/zinc/70/86/87/823708687.db2.gz JEJBCYZASQYIIP-OAHLLOKOSA-N 1 1 377.307 4.224 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)c1cccc(Br)c1 ZINC000125779606 823708692 /nfs/dbraw/zinc/70/86/92/823708692.db2.gz JEJBCYZASQYIIP-OAHLLOKOSA-N 1 1 377.307 4.224 20 0 GIADMO C[C@H](C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1)c1ccc(C(F)(F)F)cc1 ZINC000574366376 823710438 /nfs/dbraw/zinc/71/04/38/823710438.db2.gz RFVKPPNFLGMEDI-CQSZACIVSA-N 1 1 392.400 4.378 20 0 GIADMO CC[N@@H+]1CCC[C@@H](CNCc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000063917599 823711394 /nfs/dbraw/zinc/71/13/94/823711394.db2.gz KWYYZLQMBWAGRU-SFHVURJKSA-N 1 1 380.561 4.422 20 0 GIADMO CC[N@H+]1CCC[C@@H](CNCc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000063917599 823711398 /nfs/dbraw/zinc/71/13/98/823711398.db2.gz KWYYZLQMBWAGRU-SFHVURJKSA-N 1 1 380.561 4.422 20 0 GIADMO CC(C)OC1CCC(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000163477832 823713922 /nfs/dbraw/zinc/71/39/22/823713922.db2.gz BERMYGBPMMMJOJ-UHFFFAOYSA-N 1 1 391.581 4.093 20 0 GIADMO Cn1cc(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000191616817 823714313 /nfs/dbraw/zinc/71/43/13/823714313.db2.gz KRFIKYBNDJQYDW-UHFFFAOYSA-N 1 1 390.409 4.012 20 0 GIADMO Cc1nc(CCC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)oc1-c1ccccc1 ZINC000163510841 823717022 /nfs/dbraw/zinc/71/70/22/823717022.db2.gz UBPNFVAABUVXQY-IBGZPJMESA-N 1 1 383.536 4.067 20 0 GIADMO Clc1cccc(-c2nnc(C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000574388622 823717419 /nfs/dbraw/zinc/71/74/19/823717419.db2.gz GWCZIVFQAMZSHR-NRFANRHFSA-N 1 1 381.863 4.360 20 0 GIADMO Clc1cccc(-c2nnc(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)o2)c1 ZINC000574388622 823717426 /nfs/dbraw/zinc/71/74/26/823717426.db2.gz GWCZIVFQAMZSHR-NRFANRHFSA-N 1 1 381.863 4.360 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000413157685 823717701 /nfs/dbraw/zinc/71/77/01/823717701.db2.gz AAIWUYPGDQFASK-FPOVZHCZSA-N 1 1 399.579 4.060 20 0 GIADMO C[N@H+]1CCC[C@H](COC(=O)C2CCOCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125819729 823719529 /nfs/dbraw/zinc/71/95/29/823719529.db2.gz MVMYZKXJSXVATD-AEFFLSMTSA-N 1 1 385.426 4.058 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cnccc2C(C)(C)C)cc1F ZINC000413172408 823720321 /nfs/dbraw/zinc/72/03/21/823720321.db2.gz BLAOMVFUKKMWFK-UHFFFAOYSA-N 1 1 395.482 4.012 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1nc(C(F)F)nc2ccc(Cl)cc21 ZINC000413177875 823721805 /nfs/dbraw/zinc/72/18/05/823721805.db2.gz UYLSGCVRTNRKOT-ZDUSSCGKSA-N 1 1 377.826 4.395 20 0 GIADMO C[NH+](C)CCCOC1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000125835605 823724231 /nfs/dbraw/zinc/72/42/31/823724231.db2.gz XAQFSUTXJQFJCA-UHFFFAOYSA-N 1 1 381.442 4.191 20 0 GIADMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000125839217 823725152 /nfs/dbraw/zinc/72/51/52/823725152.db2.gz PGYMIZSVQAIQSB-UHFFFAOYSA-N 1 1 377.488 4.090 20 0 GIADMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000125839217 823725157 /nfs/dbraw/zinc/72/51/57/823725157.db2.gz PGYMIZSVQAIQSB-UHFFFAOYSA-N 1 1 377.488 4.090 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191662558 823726940 /nfs/dbraw/zinc/72/69/40/823726940.db2.gz STGDGFPZPUFRQU-LBPRGKRZSA-N 1 1 387.368 4.080 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000191662558 823726946 /nfs/dbraw/zinc/72/69/46/823726946.db2.gz STGDGFPZPUFRQU-LBPRGKRZSA-N 1 1 387.368 4.080 20 0 GIADMO C[C@H]1CCc2c(sc3nc(C[NH+]4CCC(c5ccncc5)CC4)nc(N)c23)C1 ZINC000191667353 823728243 /nfs/dbraw/zinc/72/82/43/823728243.db2.gz AZGPRLLRUGDNSA-AWEZNQCLSA-N 1 1 393.560 4.173 20 0 GIADMO CC(C)(C)[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000461867884 823729180 /nfs/dbraw/zinc/72/91/80/823729180.db2.gz SFELTKGJDRKYLI-GMAHTHKFSA-N 1 1 398.522 4.320 20 0 GIADMO CC(C)(C)[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000461867884 823729186 /nfs/dbraw/zinc/72/91/86/823729186.db2.gz SFELTKGJDRKYLI-GMAHTHKFSA-N 1 1 398.522 4.320 20 0 GIADMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2ccncc2)CC1)c1cc2ccccc2o1 ZINC000191675306 823729506 /nfs/dbraw/zinc/72/95/06/823729506.db2.gz BKXWULSUNKFBKI-SJORKVTESA-N 1 1 377.488 4.273 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)cs2)cc1 ZINC000574439261 823730207 /nfs/dbraw/zinc/73/02/07/823730207.db2.gz MRDFMRYMNADGFB-HXUWFJFHSA-N 1 1 391.540 4.456 20 0 GIADMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]Cc1ccnn1C ZINC000163637728 823730781 /nfs/dbraw/zinc/73/07/81/823730781.db2.gz LNJONXFUGJWVJZ-UHFFFAOYSA-N 1 1 391.450 4.135 20 0 GIADMO COCOc1ccc(OC)cc1C[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000163656873 823733103 /nfs/dbraw/zinc/73/31/03/823733103.db2.gz HYNVSTPYLDSZHV-UHFFFAOYSA-N 1 1 398.434 4.294 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cc(C)ccc2Cl)CC1 ZINC000163665061 823734438 /nfs/dbraw/zinc/73/44/38/823734438.db2.gz FLXVPPLXPISKFO-UHFFFAOYSA-N 1 1 381.948 4.251 20 0 GIADMO CC(=O)CC(C)(C)CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000191688539 823734493 /nfs/dbraw/zinc/73/44/93/823734493.db2.gz XFMRXIRBCHOTTQ-UHFFFAOYSA-N 1 1 398.469 4.135 20 0 GIADMO CC(=O)CC(C)(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000191688539 823734504 /nfs/dbraw/zinc/73/45/04/823734504.db2.gz XFMRXIRBCHOTTQ-UHFFFAOYSA-N 1 1 398.469 4.135 20 0 GIADMO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000125893015 823738584 /nfs/dbraw/zinc/73/85/84/823738584.db2.gz USRITFRAJQVEDU-WMLDXEAASA-N 1 1 387.490 4.379 20 0 GIADMO COCC[NH+]1CCC(N[C@@H](COc2c(C)cccc2C)c2ccccc2)CC1 ZINC000461888483 823739632 /nfs/dbraw/zinc/73/96/32/823739632.db2.gz GVGREIDZVPQHTJ-QHCPKHFHSA-N 1 1 382.548 4.124 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cccnc2C(F)(F)F)C1 ZINC000574482903 823742655 /nfs/dbraw/zinc/74/26/55/823742655.db2.gz XLEQYNRLLPBKCG-UKRRQHHQSA-N 1 1 378.398 4.057 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]CC[S@](=O)c1ccccc1)c1ccccc1 ZINC000125949211 823751246 /nfs/dbraw/zinc/75/12/46/823751246.db2.gz GDYIJCRRSCVLDF-SKCUWOTOSA-N 1 1 389.524 4.060 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCSC3(CCC3)CC2)[C@@H]1c1cccs1 ZINC000413319071 823751433 /nfs/dbraw/zinc/75/14/33/823751433.db2.gz CLLUEIYAJYUHPG-SJLPKXTDSA-N 1 1 393.622 4.202 20 0 GIADMO Fc1ccc(COc2ccc(C[NH+]3CCN(Cc4ccccn4)CC3)cc2)cc1 ZINC000064139646 823753131 /nfs/dbraw/zinc/75/31/31/823753131.db2.gz OVMMUWMHGDMDIM-UHFFFAOYSA-N 1 1 391.490 4.118 20 0 GIADMO Fc1ccc(COc2ccc(C[NH+]3CCN(c4nccs4)CC3)cc2)cc1 ZINC000064139895 823753413 /nfs/dbraw/zinc/75/34/13/823753413.db2.gz HFCXYMCFLOWQLS-UHFFFAOYSA-N 1 1 383.492 4.183 20 0 GIADMO C[C@@H](C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000191746970 823754997 /nfs/dbraw/zinc/75/49/97/823754997.db2.gz LRKRYCRFMHWHGD-SUMWQHHRSA-N 1 1 380.355 4.076 20 0 GIADMO C[C@@H](C[N@H+]1CCSC[C@@H]1c1cnn(C)c1)c1cccc(Br)c1 ZINC000191746970 823755003 /nfs/dbraw/zinc/75/50/03/823755003.db2.gz LRKRYCRFMHWHGD-SUMWQHHRSA-N 1 1 380.355 4.076 20 0 GIADMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000574529424 823756249 /nfs/dbraw/zinc/75/62/49/823756249.db2.gz VNELYUQGWYSXPX-LSDHHAIUSA-N 1 1 384.442 4.138 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000574529424 823756257 /nfs/dbraw/zinc/75/62/57/823756257.db2.gz VNELYUQGWYSXPX-LSDHHAIUSA-N 1 1 384.442 4.138 20 0 GIADMO O=C(Nc1cc(F)ccc1OCC1CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000191766001 823760651 /nfs/dbraw/zinc/76/06/51/823760651.db2.gz AMTSJEQPGJLNFS-OXQOHEQNSA-N 1 1 387.499 4.095 20 0 GIADMO O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000461930168 823761621 /nfs/dbraw/zinc/76/16/21/823761621.db2.gz ZZNHIBOMVGLGJT-UHFFFAOYSA-N 1 1 381.407 4.454 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000461931171 823762544 /nfs/dbraw/zinc/76/25/44/823762544.db2.gz LTTNMVXSQZHYBN-TZMCWYRMSA-N 1 1 383.439 4.036 20 0 GIADMO COc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1NC(C)=O ZINC000163941167 823763225 /nfs/dbraw/zinc/76/32/25/823763225.db2.gz MZKHFHKBYLAWSG-SFHVURJKSA-N 1 1 395.547 4.490 20 0 GIADMO CC(=O)c1c(C)oc2ncnc(NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)c21 ZINC000574564875 823768199 /nfs/dbraw/zinc/76/81/99/823768199.db2.gz JDCUSQLSMOMZGV-IBGZPJMESA-N 1 1 392.503 4.448 20 0 GIADMO COc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCCCC2)cc1NC(C)=O ZINC000164023059 823771176 /nfs/dbraw/zinc/77/11/76/823771176.db2.gz URKKCHHAKJUFHO-SFHVURJKSA-N 1 1 395.547 4.490 20 0 GIADMO COc1cc([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)ccc1OCc1ccncc1 ZINC000164066065 823774780 /nfs/dbraw/zinc/77/47/80/823774780.db2.gz WCADYSDLJLZLAE-GOSISDBHSA-N 1 1 383.536 4.193 20 0 GIADMO OC[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000574606147 823778924 /nfs/dbraw/zinc/77/89/24/823778924.db2.gz FWQLKJQSRYWKJK-MOPGFXCFSA-N 1 1 379.422 4.258 20 0 GIADMO Cc1cc(CNC(=O)Nc2ccc(C)c(OC(C)C)c2)cc(N2CCCC2)[nH+]1 ZINC000574609145 823780114 /nfs/dbraw/zinc/78/01/14/823780114.db2.gz SHTGHMQEZHDVGO-UHFFFAOYSA-N 1 1 382.508 4.408 20 0 GIADMO COC(=O)[C@H]1CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C[C@H]1C ZINC000191823941 823784267 /nfs/dbraw/zinc/78/42/67/823784267.db2.gz DCQZTQYOTNBAGL-HIFRSBDPSA-N 1 1 378.925 4.111 20 0 GIADMO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461987259 823784532 /nfs/dbraw/zinc/78/45/32/823784532.db2.gz UZUBPBYIVUJNGM-LIRRHRJNSA-N 1 1 377.315 4.315 20 0 GIADMO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000461987259 823784543 /nfs/dbraw/zinc/78/45/43/823784543.db2.gz UZUBPBYIVUJNGM-LIRRHRJNSA-N 1 1 377.315 4.315 20 0 GIADMO COC(=O)c1coc([C@H](C)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000574634243 823786872 /nfs/dbraw/zinc/78/68/72/823786872.db2.gz SBWLTNQCPGPYQU-LRDDRELGSA-N 1 1 384.398 4.039 20 0 GIADMO CC[C@H]([NH2+][C@H](CCSC)c1nnc2ccccn21)c1ccc2c(c1)OCCO2 ZINC000164233121 823788191 /nfs/dbraw/zinc/78/81/91/823788191.db2.gz XBKOHCCIHKSECT-DLBZAZTESA-N 1 1 398.532 4.036 20 0 GIADMO O=C(C[NH2+]C1(c2ccccc2)CCC1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000064337733 823795731 /nfs/dbraw/zinc/79/57/31/823795731.db2.gz BWURXOQYEZXASB-UHFFFAOYSA-N 1 1 388.393 4.189 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)c2C1 ZINC000462019840 823796694 /nfs/dbraw/zinc/79/66/94/823796694.db2.gz FDUWEEUTLVAFNB-QGZVFWFLSA-N 1 1 378.520 4.296 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)c2C1 ZINC000462019840 823796701 /nfs/dbraw/zinc/79/67/01/823796701.db2.gz FDUWEEUTLVAFNB-QGZVFWFLSA-N 1 1 378.520 4.296 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]2c2cccc(C)n2)cc1F ZINC000164380374 823799489 /nfs/dbraw/zinc/79/94/89/823799489.db2.gz SYIORZQRZYCUDF-NRFANRHFSA-N 1 1 393.466 4.070 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462033987 823804415 /nfs/dbraw/zinc/80/44/15/823804415.db2.gz QKIQGJKXQNIXOI-CQSZACIVSA-N 1 1 395.425 4.211 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000164493092 823804944 /nfs/dbraw/zinc/80/49/44/823804944.db2.gz WEKCWUOBQDKUOT-UHFFFAOYSA-N 1 1 395.469 4.028 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000064381775 823805734 /nfs/dbraw/zinc/80/57/34/823805734.db2.gz KPNZLLTUYRQZML-UHFFFAOYSA-N 1 1 384.545 4.172 20 0 GIADMO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H](c3c(Cl)cccc3Cl)C3CC3)[C@H]2C1 ZINC000462038182 823806406 /nfs/dbraw/zinc/80/64/06/823806406.db2.gz FITSAZQLXQFRAY-PUECVXPYSA-N 1 1 382.335 4.180 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)c(OC)c1OC ZINC000164529624 823807235 /nfs/dbraw/zinc/80/72/35/823807235.db2.gz SPXJGDSRXSGERF-GFCCVEGCSA-N 1 1 385.382 4.462 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OCC ZINC000164535303 823807780 /nfs/dbraw/zinc/80/77/80/823807780.db2.gz VMAXCCJPIBGDAF-YJBOKZPZSA-N 1 1 394.943 4.084 20 0 GIADMO FC(F)c1nccnc1NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000574717963 823807937 /nfs/dbraw/zinc/80/79/37/823807937.db2.gz KMSBUQUFFCSZMO-MRXNPFEDSA-N 1 1 386.471 4.109 20 0 GIADMO FC(F)c1nccnc1NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000574717963 823807942 /nfs/dbraw/zinc/80/79/42/823807942.db2.gz KMSBUQUFFCSZMO-MRXNPFEDSA-N 1 1 386.471 4.109 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)c2cccc(Br)c2)C1 ZINC000462042777 823809104 /nfs/dbraw/zinc/80/91/04/823809104.db2.gz WKRBFDGATMFLQU-WMLDXEAASA-N 1 1 390.325 4.175 20 0 GIADMO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000164605640 823811505 /nfs/dbraw/zinc/81/15/05/823811505.db2.gz COSFEHYTMUSKTE-CJNGLKHVSA-N 1 1 391.309 4.060 20 0 GIADMO CN(C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000462050834 823812495 /nfs/dbraw/zinc/81/24/95/823812495.db2.gz BVMLIJAMVNZKCE-KBXCAEBGSA-N 1 1 382.335 4.323 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000164647292 823814265 /nfs/dbraw/zinc/81/42/65/823814265.db2.gz NSAXUJIMWINLGM-GFCCVEGCSA-N 1 1 375.847 4.041 20 0 GIADMO O=C(NCc1ccnc(Oc2ccccc2F)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000574742940 823816208 /nfs/dbraw/zinc/81/62/08/823816208.db2.gz AOJQKXVGNNGLMG-IBGZPJMESA-N 1 1 383.467 4.036 20 0 GIADMO Clc1cccc(OCc2noc(Cn3c[nH+]c4c3CCCC4)n2)c1Cl ZINC000574743530 823816546 /nfs/dbraw/zinc/81/65/46/823816546.db2.gz QFGPWGUBIBFDDR-UHFFFAOYSA-N 1 1 379.247 4.079 20 0 GIADMO CO[C@](C)([C@@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CC1 ZINC000413688159 823817536 /nfs/dbraw/zinc/81/75/36/823817536.db2.gz LCWIMTMREYHQGN-OPAMFIHVSA-N 1 1 384.524 4.380 20 0 GIADMO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)c1 ZINC000126238649 823818512 /nfs/dbraw/zinc/81/85/12/823818512.db2.gz PBEGUNSGEIIESR-GFCCVEGCSA-N 1 1 379.273 4.189 20 0 GIADMO O=C(Nc1ccc2c(c1)CCC2=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000574768150 823821910 /nfs/dbraw/zinc/82/19/10/823821910.db2.gz KTYSQFFEJXELMK-UHFFFAOYSA-N 1 1 397.906 4.209 20 0 GIADMO O=C(Nc1ccc2c(c1)CCC2=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000574768150 823821912 /nfs/dbraw/zinc/82/19/12/823821912.db2.gz KTYSQFFEJXELMK-UHFFFAOYSA-N 1 1 397.906 4.209 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(-c3ccccc3C)nn2C)c1 ZINC000462082047 823822531 /nfs/dbraw/zinc/82/25/31/823822531.db2.gz VIGOKROGSJNGPJ-UHFFFAOYSA-N 1 1 391.519 4.169 20 0 GIADMO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+](C[C@@H]3CCOC3)C3CC3)n2)c(C)c1 ZINC000164866378 823823683 /nfs/dbraw/zinc/82/36/83/823823683.db2.gz QWDQNEJEYFVKNS-KRWDZBQOSA-N 1 1 399.560 4.175 20 0 GIADMO Cc1cc(-c2cccc(F)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000462101447 823828210 /nfs/dbraw/zinc/82/82/10/823828210.db2.gz XYZXAPNVVBIZMW-UHFFFAOYSA-N 1 1 376.479 4.303 20 0 GIADMO O=C(c1cccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1)N1CCCCC1 ZINC000064482749 823828443 /nfs/dbraw/zinc/82/84/43/823828443.db2.gz CXGJROQQOVEDGC-QFIPXVFZSA-N 1 1 382.504 4.087 20 0 GIADMO O=C(c1cccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1)N1CCCCC1 ZINC000064482749 823828448 /nfs/dbraw/zinc/82/84/48/823828448.db2.gz CXGJROQQOVEDGC-QFIPXVFZSA-N 1 1 382.504 4.087 20 0 GIADMO C[C@H](NC(=O)NOCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000165111078 823834790 /nfs/dbraw/zinc/83/47/90/823834790.db2.gz PHXGDBHYVPRCAJ-GOEBONIOSA-N 1 1 399.457 4.089 20 0 GIADMO CCN(C(=O)NC1CCC(COC)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000413766516 823837515 /nfs/dbraw/zinc/83/75/15/823837515.db2.gz FLHKPJRVFQHFGF-PZKJRENSSA-N 1 1 387.568 4.059 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2)no1 ZINC000064544430 823840589 /nfs/dbraw/zinc/84/05/89/823840589.db2.gz XVFQRHKIEFTEMQ-MGPUTAFESA-N 1 1 391.475 4.002 20 0 GIADMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000165228183 823840992 /nfs/dbraw/zinc/84/09/92/823840992.db2.gz KDGSLDXOGHSHFL-HNNXBMFYSA-N 1 1 395.425 4.099 20 0 GIADMO COc1ccc(Cl)c(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000064560167 823843835 /nfs/dbraw/zinc/84/38/35/823843835.db2.gz SQQODFXCFMJEQH-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO COc1ccc(Cl)c(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000064560167 823843847 /nfs/dbraw/zinc/84/38/47/823843847.db2.gz SQQODFXCFMJEQH-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCCN3C)C1 ZINC000064561324 823844918 /nfs/dbraw/zinc/84/49/18/823844918.db2.gz RHBGNMRKGHHHFX-DYESRHJHSA-N 1 1 378.520 4.026 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3oc(N(C)C)nc3c2)C1 ZINC000165387268 823847013 /nfs/dbraw/zinc/84/70/13/823847013.db2.gz QFTYBBZDFIRGQK-SJORKVTESA-N 1 1 399.539 4.012 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000462157388 823848329 /nfs/dbraw/zinc/84/83/29/823848329.db2.gz GQSRSFSRILMORM-JVDULTGUSA-N 1 1 382.470 4.382 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4cccnc4)C3)cs2)c(OC)c1 ZINC000574873428 823849076 /nfs/dbraw/zinc/84/90/76/823849076.db2.gz BFLULRGYIVSOPH-MRXNPFEDSA-N 1 1 381.501 4.212 20 0 GIADMO C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000413845586 823850269 /nfs/dbraw/zinc/85/02/69/823850269.db2.gz PCQAKEFEVXEZMD-OWCLPIDISA-N 1 1 393.959 4.013 20 0 GIADMO COc1ccc2c(c1)C[N@H+](C[C@@H]1CC3(CCC3)C(=O)O1)[C@@H](c1ccccc1)C2 ZINC000192071212 823850439 /nfs/dbraw/zinc/85/04/39/823850439.db2.gz VIZOOQHKWYHODG-FCHUYYIVSA-N 1 1 377.484 4.280 20 0 GIADMO CC[C@@H](C)NC(=O)C[NH2+][C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000462174489 823854062 /nfs/dbraw/zinc/85/40/62/823854062.db2.gz HIJAMEVQJZUQPN-ZUOKHONESA-N 1 1 378.488 4.280 20 0 GIADMO Fc1cc([C@H]2OCC[C@H]2[NH2+]Cc2nc(-c3cccs3)no2)ccc1Cl ZINC000192087407 823856257 /nfs/dbraw/zinc/85/62/57/823856257.db2.gz DBMNDHXFIQFLJA-CZUORRHYSA-N 1 1 379.844 4.210 20 0 GIADMO COc1ccc(C[N@@H+](CCCS(=O)(=O)c2ccccc2)[C@H](C)C2CC2)cc1 ZINC000064641741 823856183 /nfs/dbraw/zinc/85/61/83/823856183.db2.gz LPJZOTVQBNOJGG-GOSISDBHSA-N 1 1 387.545 4.160 20 0 GIADMO CC(C)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000064646280 823857594 /nfs/dbraw/zinc/85/75/94/823857594.db2.gz WCHUTZMIFFARHY-NRFANRHFSA-N 1 1 385.552 4.037 20 0 GIADMO Cc1nc2ccc(C(=O)N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2s1 ZINC000574908118 823858586 /nfs/dbraw/zinc/85/85/86/823858586.db2.gz QCIWLLMWCZIUFP-HSZRJFAPSA-N 1 1 391.540 4.343 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000462184952 823859066 /nfs/dbraw/zinc/85/90/66/823859066.db2.gz CXMGDXPPMHIRPT-DNVCBOLYSA-N 1 1 395.890 4.245 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000064666650 823860079 /nfs/dbraw/zinc/86/00/79/823860079.db2.gz PQZHDXZKRIUVHE-HXUWFJFHSA-N 1 1 376.544 4.427 20 0 GIADMO Cc1ccsc1S(=O)(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000462186739 823860180 /nfs/dbraw/zinc/86/01/80/823860180.db2.gz HFCSOQKGMPKUNQ-UHFFFAOYSA-N 1 1 392.590 4.300 20 0 GIADMO O=C(CC[N@H+]1CCC=C(c2ccccn2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000574925289 823862005 /nfs/dbraw/zinc/86/20/05/823862005.db2.gz WPBQPCLWKRLMMT-UHFFFAOYSA-N 1 1 375.394 4.218 20 0 GIADMO CCCCNC(=O)C[NH2+][C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000462194899 823864299 /nfs/dbraw/zinc/86/42/99/823864299.db2.gz YXTOWWZRVUQDNU-HXUWFJFHSA-N 1 1 378.488 4.282 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462198691 823866092 /nfs/dbraw/zinc/86/60/92/823866092.db2.gz KMRQQYHUVLYMIJ-LSDHHAIUSA-N 1 1 375.900 4.188 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CSCc2ccc(Cl)cc2)C1 ZINC000064725759 823872482 /nfs/dbraw/zinc/87/24/82/823872482.db2.gz BXKLLWATVLTLNS-JTDSTZFVSA-N 1 1 380.985 4.437 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000064725999 823872571 /nfs/dbraw/zinc/87/25/71/823872571.db2.gz HOYWJTQJBFTSGT-SOLBZPMBSA-N 1 1 378.944 4.361 20 0 GIADMO COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000166297971 823874445 /nfs/dbraw/zinc/87/44/45/823874445.db2.gz VHIPTMZBOAFZNC-CALCHBBNSA-N 1 1 385.533 4.458 20 0 GIADMO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000166297971 823874453 /nfs/dbraw/zinc/87/44/53/823874453.db2.gz VHIPTMZBOAFZNC-CALCHBBNSA-N 1 1 385.533 4.458 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000064738791 823876843 /nfs/dbraw/zinc/87/68/43/823876843.db2.gz WMZXXRIHEPSYLJ-UHFFFAOYSA-N 1 1 393.531 4.131 20 0 GIADMO Cc1cc(CNC(=O)NC(C)(C)c2cccc(Cl)c2)cc(N2CCCC2)[nH+]1 ZINC000462219676 823878234 /nfs/dbraw/zinc/87/82/34/823878234.db2.gz XQVOZLTXXYKCAT-UHFFFAOYSA-N 1 1 386.927 4.378 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682822 823881175 /nfs/dbraw/zinc/88/11/75/823881175.db2.gz PEOZWPDSKRCVEM-QAPCUYQASA-N 1 1 379.426 4.277 20 0 GIADMO CC[C@H]([NH2+]Cc1cc(OC)ccc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000192151200 823881324 /nfs/dbraw/zinc/88/13/24/823881324.db2.gz IDSGHLGFSBCMLA-IBGZPJMESA-N 1 1 390.911 4.057 20 0 GIADMO c1cc2c(nccc2-c2noc([C@@]34CCC[C@@H]3C[N@H+](Cc3ccccc3)C4)n2)[nH]1 ZINC000575004902 823885104 /nfs/dbraw/zinc/88/51/04/823885104.db2.gz GAOAAQDIJPGUMD-UZUQRXQVSA-N 1 1 385.471 4.118 20 0 GIADMO CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000575006123 823885212 /nfs/dbraw/zinc/88/52/12/823885212.db2.gz MLKMUSWCRZBYII-QHCPKHFHSA-N 1 1 382.504 4.148 20 0 GIADMO CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000575006123 823885214 /nfs/dbraw/zinc/88/52/14/823885214.db2.gz MLKMUSWCRZBYII-QHCPKHFHSA-N 1 1 382.504 4.148 20 0 GIADMO CN1C(=O)C[C@@H]([NH2+]Cc2csc(-c3ccoc3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000192159472 823885512 /nfs/dbraw/zinc/88/55/12/823885512.db2.gz QCLLFIADYJPJCN-SJLPKXTDSA-N 1 1 387.892 4.118 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H](c2ccncc2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000575026074 823891709 /nfs/dbraw/zinc/89/17/09/823891709.db2.gz IKYIPQVCBJAREX-HSZRJFAPSA-N 1 1 385.511 4.494 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)s1 ZINC000414049032 823895264 /nfs/dbraw/zinc/89/52/64/823895264.db2.gz FGYADGNNJBFIMT-CABCVRRESA-N 1 1 393.578 4.115 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000414049032 823895269 /nfs/dbraw/zinc/89/52/69/823895269.db2.gz FGYADGNNJBFIMT-CABCVRRESA-N 1 1 393.578 4.115 20 0 GIADMO C[C@@H](NC(=O)C[N@H+]1CCCC2(CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000575036317 823895972 /nfs/dbraw/zinc/89/59/72/823895972.db2.gz KZHPYYSZEOJYLN-CQSZACIVSA-N 1 1 385.335 4.063 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1c(F)cccc1F ZINC000167814153 823896294 /nfs/dbraw/zinc/89/62/94/823896294.db2.gz QXVZNQFPSPUAQV-UONOGXRCSA-N 1 1 378.438 4.477 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1Br ZINC000167899701 823897606 /nfs/dbraw/zinc/89/76/06/823897606.db2.gz OXYOREIADNSWQR-SWLSCSKDSA-N 1 1 393.329 4.358 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000167920058 823898045 /nfs/dbraw/zinc/89/80/45/823898045.db2.gz DVCORCKJBCEICR-ABAIWWIYSA-N 1 1 381.293 4.489 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)ccc1OC(F)F ZINC000167940728 823898921 /nfs/dbraw/zinc/89/89/21/823898921.db2.gz CCZOUYAKFOSNEW-OCCSQVGLSA-N 1 1 380.439 4.197 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1csc(-c2ccccc2)n1 ZINC000414064002 823898909 /nfs/dbraw/zinc/89/89/09/823898909.db2.gz FFCWPQPKVJISSX-SFHVURJKSA-N 1 1 393.556 4.493 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCC(C)CC2)s1 ZINC000414071508 823901515 /nfs/dbraw/zinc/90/15/15/823901515.db2.gz LYBZBNFVNHWWLN-AEFFLSMTSA-N 1 1 387.549 4.054 20 0 GIADMO CCNC(=O)c1ccc(C)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000575059465 823902132 /nfs/dbraw/zinc/90/21/32/823902132.db2.gz XWLAHOVCRNDHRN-OAQYLSRUSA-N 1 1 377.532 4.354 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126572146 823902591 /nfs/dbraw/zinc/90/25/91/823902591.db2.gz UNVSRHQKSDWKFX-PKOBYXMFSA-N 1 1 380.492 4.131 20 0 GIADMO CCCc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)o1 ZINC000575067806 823903657 /nfs/dbraw/zinc/90/36/57/823903657.db2.gz JESUKZRBEPRTJK-NRFANRHFSA-N 1 1 391.515 4.483 20 0 GIADMO CCCc1nc(C)c(C[N@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)o1 ZINC000575067806 823903661 /nfs/dbraw/zinc/90/36/61/823903661.db2.gz JESUKZRBEPRTJK-NRFANRHFSA-N 1 1 391.515 4.483 20 0 GIADMO Cc1occc1C(=O)NC1CC[NH+]([C@@H](C)c2cccc(Br)c2)CC1 ZINC000126579248 823904459 /nfs/dbraw/zinc/90/44/59/823904459.db2.gz KLNJDIRLEKLEGB-ZDUSSCGKSA-N 1 1 391.309 4.306 20 0 GIADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000462263371 823905125 /nfs/dbraw/zinc/90/51/25/823905125.db2.gz OGRCVXJOAJQTIK-GDIGMMSISA-N 1 1 387.321 4.114 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)s1 ZINC000414084568 823905339 /nfs/dbraw/zinc/90/53/39/823905339.db2.gz XWKHVHHODBEYCH-HZPDHXFCSA-N 1 1 387.549 4.155 20 0 GIADMO CSCC[C@H](C)[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000126591365 823906775 /nfs/dbraw/zinc/90/67/75/823906775.db2.gz CRMCJRPPAYCWLE-LIRRHRJNSA-N 1 1 380.554 4.166 20 0 GIADMO CC(C)(CNC(=O)Nc1nc2ccsc2s1)[N@H+]1CCc2ccccc2C1 ZINC000575090552 823908850 /nfs/dbraw/zinc/90/88/50/823908850.db2.gz CCZJIYXNHYIPEG-UHFFFAOYSA-N 1 1 386.546 4.316 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000126611618 823910655 /nfs/dbraw/zinc/91/06/55/823910655.db2.gz UBAQKWHLNSBRMB-IBGZPJMESA-N 1 1 392.503 4.064 20 0 GIADMO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462278764 823910756 /nfs/dbraw/zinc/91/07/56/823910756.db2.gz XGDYHLBJEMOWEN-KBPBESRZSA-N 1 1 395.425 4.211 20 0 GIADMO C[C@H](CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccc(F)cc1F ZINC000126610129 823910809 /nfs/dbraw/zinc/91/08/09/823910809.db2.gz WZBYWILHQOZMRO-CVEARBPZSA-N 1 1 388.458 4.490 20 0 GIADMO Cc1cccc2c(CC(=O)Nc3ccc([C@@H](C)[NH+]4CCOCC4)cc3)c[nH]c21 ZINC000126612846 823911321 /nfs/dbraw/zinc/91/13/21/823911321.db2.gz WWTTZZZYAGIBRS-QGZVFWFLSA-N 1 1 377.488 4.051 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1cc2n(n1)CCC2 ZINC000414106731 823911418 /nfs/dbraw/zinc/91/14/18/823911418.db2.gz RGMUJEPOAVMOMK-SNVBAGLBSA-N 1 1 388.231 4.461 20 0 GIADMO C[N@@H+](CCNc1nn2cc(-c3ccc(F)cc3)nc2s1)Cc1ccccc1 ZINC000064916246 823911698 /nfs/dbraw/zinc/91/16/98/823911698.db2.gz MGVQVUYSGLQRLD-UHFFFAOYSA-N 1 1 381.480 4.141 20 0 GIADMO COc1ccccc1CCC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575100591 823912464 /nfs/dbraw/zinc/91/24/64/823912464.db2.gz GDULZJBWZYKWLK-NRFANRHFSA-N 1 1 380.532 4.046 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)c1 ZINC000414115044 823912689 /nfs/dbraw/zinc/91/26/89/823912689.db2.gz MKYUVUOJXBMABS-ZWKOTPCHSA-N 1 1 385.527 4.306 20 0 GIADMO O=C([C@@H]1CC12CC[NH+](Cc1cc(O)cc(C(F)(F)F)c1)CC2)N1CCCCC1 ZINC000575101395 823913143 /nfs/dbraw/zinc/91/31/43/823913143.db2.gz JJMKCYPHGVADTI-SFHVURJKSA-N 1 1 396.453 4.026 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(COCCc2ccccc2)c1 ZINC000064936553 823914965 /nfs/dbraw/zinc/91/49/65/823914965.db2.gz FWPWOALSAPRVQU-JOCHJYFZSA-N 1 1 397.588 4.217 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)cs2)cc1 ZINC000575116174 823916261 /nfs/dbraw/zinc/91/62/61/823916261.db2.gz UKSCPVZJLYVUAE-LJQANCHMSA-N 1 1 377.513 4.289 20 0 GIADMO CCCCNC(=O)c1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc1 ZINC000126637952 823917090 /nfs/dbraw/zinc/91/70/90/823917090.db2.gz OREDSQJDQDHRDQ-UHFFFAOYSA-N 1 1 383.511 4.246 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCOc1cccc2ccccc21 ZINC000064949961 823917219 /nfs/dbraw/zinc/91/72/19/823917219.db2.gz XRQMOYZGMPIVTB-UHFFFAOYSA-N 1 1 398.890 4.451 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCOc1cccc2ccccc21 ZINC000064949961 823917229 /nfs/dbraw/zinc/91/72/29/823917229.db2.gz XRQMOYZGMPIVTB-UHFFFAOYSA-N 1 1 398.890 4.451 20 0 GIADMO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462307847 823919459 /nfs/dbraw/zinc/91/94/59/823919459.db2.gz YIKUPRAOLJZHKH-RDTXWAMCSA-N 1 1 398.981 4.071 20 0 GIADMO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1C ZINC000462312283 823921533 /nfs/dbraw/zinc/92/15/33/823921533.db2.gz GOGYXQZKOMPBBS-UHFFFAOYSA-N 1 1 398.528 4.007 20 0 GIADMO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1C ZINC000462312283 823921537 /nfs/dbraw/zinc/92/15/37/823921537.db2.gz GOGYXQZKOMPBBS-UHFFFAOYSA-N 1 1 398.528 4.007 20 0 GIADMO C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCS1 ZINC000192266044 823922793 /nfs/dbraw/zinc/92/27/93/823922793.db2.gz YZYUBIPQISAYAO-DDUZABMNSA-N 1 1 399.963 4.009 20 0 GIADMO C[C@@H]1C[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186236 823924274 /nfs/dbraw/zinc/92/42/74/823924274.db2.gz PJYRXANXZBUTGV-LMDOGRNLSA-N 1 1 390.506 4.286 20 0 GIADMO C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186236 823924283 /nfs/dbraw/zinc/92/42/83/823924283.db2.gz PJYRXANXZBUTGV-LMDOGRNLSA-N 1 1 390.506 4.286 20 0 GIADMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(Cl)c1 ZINC000462328590 823926225 /nfs/dbraw/zinc/92/62/25/823926225.db2.gz VAWWBZPMTBMGBZ-RDTXWAMCSA-N 1 1 398.981 4.071 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(OC)cc2OC)c1 ZINC000414207054 823928745 /nfs/dbraw/zinc/92/87/45/823928745.db2.gz GPQMPYKKAHPQQY-CYBMUJFWSA-N 1 1 397.924 4.002 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc(F)c(I)c1 ZINC000414217794 823932127 /nfs/dbraw/zinc/93/21/27/823932127.db2.gz CPOZNQJSAIKFCA-BDAKNGLRSA-N 1 1 376.238 4.299 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000575200198 823937029 /nfs/dbraw/zinc/93/70/29/823937029.db2.gz VPSAKTHVIGVKQR-LJQANCHMSA-N 1 1 394.563 4.117 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000575200197 823937261 /nfs/dbraw/zinc/93/72/61/823937261.db2.gz VPSAKTHVIGVKQR-IBGZPJMESA-N 1 1 394.563 4.117 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)C1 ZINC000575201524 823937328 /nfs/dbraw/zinc/93/73/28/823937328.db2.gz BAHLCPAVIWSJDB-UNMCSNQZSA-N 1 1 384.907 4.014 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)CC2)cs1 ZINC000170682928 823937480 /nfs/dbraw/zinc/93/74/80/823937480.db2.gz YJNPDGZBKISLBJ-AWEZNQCLSA-N 1 1 375.513 4.022 20 0 GIADMO O=C(NC(C1CCC1)C1CCC1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000575203847 823937800 /nfs/dbraw/zinc/93/78/00/823937800.db2.gz MQWKMTBUUQKEGC-UHFFFAOYSA-N 1 1 391.506 4.197 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000170685015 823938815 /nfs/dbraw/zinc/93/88/15/823938815.db2.gz WOUQKTYKHSIXAZ-GOSISDBHSA-N 1 1 389.590 4.261 20 0 GIADMO C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@H](c2ccccc2)C1 ZINC000575207671 823939091 /nfs/dbraw/zinc/93/90/91/823939091.db2.gz GHXGVDLWWHAPMX-INIZCTEOSA-N 1 1 395.837 4.462 20 0 GIADMO C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@H](c2ccccc2)C1 ZINC000575207671 823939100 /nfs/dbraw/zinc/93/91/00/823939100.db2.gz GHXGVDLWWHAPMX-INIZCTEOSA-N 1 1 395.837 4.462 20 0 GIADMO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(F)c1F ZINC000126739905 823939686 /nfs/dbraw/zinc/93/96/86/823939686.db2.gz JUUSJRKAIITFQJ-LSDHHAIUSA-N 1 1 393.503 4.299 20 0 GIADMO COc1cncc(C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 ZINC000575213088 823941083 /nfs/dbraw/zinc/94/10/83/823941083.db2.gz UDSMJQUWINZNSW-HXUWFJFHSA-N 1 1 375.463 4.074 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192314204 823943491 /nfs/dbraw/zinc/94/34/91/823943491.db2.gz MJQLHVGQYZJRGU-VXGBXAGGSA-N 1 1 385.339 4.350 20 0 GIADMO CC(C)c1cc(N2CCC(C(=O)c3cc(F)ccc3F)CC2)nc(N(C)C)[nH+]1 ZINC000462371604 823946210 /nfs/dbraw/zinc/94/62/10/823946210.db2.gz QXMFLRGXLNISJJ-UHFFFAOYSA-N 1 1 388.462 4.044 20 0 GIADMO O=C(c1ccc(Sc2ccccn2)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126774494 823947909 /nfs/dbraw/zinc/94/79/09/823947909.db2.gz BHVLBFGSGIOHQL-WIYYLYMNSA-N 1 1 393.556 4.322 20 0 GIADMO O=C(Oc1cccc(Oc2ncccn2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000170707227 823948722 /nfs/dbraw/zinc/94/87/22/823948722.db2.gz AOWGAEVOUNILCU-IBGZPJMESA-N 1 1 389.455 4.087 20 0 GIADMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000126780788 823949425 /nfs/dbraw/zinc/94/94/25/823949425.db2.gz PKXWXBXAANVACQ-IFXJQAMLSA-N 1 1 376.859 4.270 20 0 GIADMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000126780788 823949430 /nfs/dbraw/zinc/94/94/30/823949430.db2.gz PKXWXBXAANVACQ-IFXJQAMLSA-N 1 1 376.859 4.270 20 0 GIADMO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1C ZINC000462379050 823949916 /nfs/dbraw/zinc/94/99/16/823949916.db2.gz HVJCYNVVMVXFLM-INIZCTEOSA-N 1 1 388.533 4.165 20 0 GIADMO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1C ZINC000462379050 823949922 /nfs/dbraw/zinc/94/99/22/823949922.db2.gz HVJCYNVVMVXFLM-INIZCTEOSA-N 1 1 388.533 4.165 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000065140680 823951008 /nfs/dbraw/zinc/95/10/08/823951008.db2.gz WMZUCDFVMCDPLZ-CZUORRHYSA-N 1 1 391.284 4.154 20 0 GIADMO c1csc(-c2nc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cs2)c1 ZINC000192355367 823957365 /nfs/dbraw/zinc/95/73/65/823957365.db2.gz UIGSZJVIWWRZPZ-LJQANCHMSA-N 1 1 399.585 4.252 20 0 GIADMO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC000414319271 823957516 /nfs/dbraw/zinc/95/75/16/823957516.db2.gz NQCFPPYZTFMLST-IRLDBZIGSA-N 1 1 385.596 4.275 20 0 GIADMO C[C@@H]1[C@@H](NC(=O)Nc2cccc(OC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000575351805 823960599 /nfs/dbraw/zinc/96/05/99/823960599.db2.gz ZVWRCKIDUMBWRH-KDOFPFPSSA-N 1 1 375.419 4.073 20 0 GIADMO Cn1ccc([C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c2ccc(Cl)cc2)n1 ZINC000414340279 823961243 /nfs/dbraw/zinc/96/12/43/823961243.db2.gz GSKAVIRSOBURRI-GHTZIAJQSA-N 1 1 384.886 4.171 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CSC[C@@H]3CCCCO3)cc2)C1 ZINC000170758709 823963901 /nfs/dbraw/zinc/96/39/01/823963901.db2.gz QSBHOSUFOBOLQG-XLIONFOSSA-N 1 1 376.566 4.159 20 0 GIADMO Cc1cc(CNC(=O)Nc2cccc(Cl)c2N(C)C)cc(N2CCCC2)[nH+]1 ZINC000575371045 823964486 /nfs/dbraw/zinc/96/44/86/823964486.db2.gz ZKDWVRMZEZTNDY-UHFFFAOYSA-N 1 1 387.915 4.031 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000575441668 823971411 /nfs/dbraw/zinc/97/14/11/823971411.db2.gz HAOINHOXAIOHSZ-FUPPJEDESA-N 1 1 398.934 4.189 20 0 GIADMO CCc1ccc(-c2nc(CC(=O)N3CCC[N@@H+](CC4CCC4)CC3)cs2)cc1 ZINC000575568724 823977705 /nfs/dbraw/zinc/97/77/05/823977705.db2.gz AFHBKBHZNOEUPN-UHFFFAOYSA-N 1 1 397.588 4.249 20 0 GIADMO Cc1c(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000575632030 823980226 /nfs/dbraw/zinc/98/02/26/823980226.db2.gz JGXQILGUEXTSPK-MRXNPFEDSA-N 1 1 386.927 4.427 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000192418572 823980904 /nfs/dbraw/zinc/98/09/04/823980904.db2.gz AUPJUYBBIRQMAB-UHFFFAOYSA-N 1 1 379.302 4.173 20 0 GIADMO CCc1ncc(CNc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)cn1 ZINC000414428174 823982937 /nfs/dbraw/zinc/98/29/37/823982937.db2.gz GJZAPAIPAGQFBI-QFIPXVFZSA-N 1 1 382.552 4.431 20 0 GIADMO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000170834464 823985450 /nfs/dbraw/zinc/98/54/50/823985450.db2.gz VUIHCLVQUBDQMT-OAQYLSRUSA-N 1 1 394.490 4.059 20 0 GIADMO COc1cc(C[N@@H+]2CCCc3c(cnn3C)C2)ccc1OCc1cccs1 ZINC000414474446 823991230 /nfs/dbraw/zinc/99/12/30/823991230.db2.gz SHRDJJWCTUHDIH-UHFFFAOYSA-N 1 1 383.517 4.018 20 0 GIADMO COc1cc(C[N@H+]2CCCc3c(cnn3C)C2)ccc1OCc1cccs1 ZINC000414474446 823991235 /nfs/dbraw/zinc/99/12/35/823991235.db2.gz SHRDJJWCTUHDIH-UHFFFAOYSA-N 1 1 383.517 4.018 20 0 GIADMO CCCOc1c(Br)cc(C[NH2+]Cc2ccn(CC)n2)cc1OCC ZINC000414477940 823991841 /nfs/dbraw/zinc/99/18/41/823991841.db2.gz DZYOUUHPNATSGR-UHFFFAOYSA-N 1 1 396.329 4.143 20 0 GIADMO CCS(=O)(=O)CC[N@H+](Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC000126977030 823992749 /nfs/dbraw/zinc/99/27/49/823992749.db2.gz LXCRZMCPURKROH-UHFFFAOYSA-N 1 1 375.534 4.007 20 0 GIADMO CCS(=O)(=O)CC[N@@H+](Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC000126977030 823992752 /nfs/dbraw/zinc/99/27/52/823992752.db2.gz LXCRZMCPURKROH-UHFFFAOYSA-N 1 1 375.534 4.007 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cc2)cs1 ZINC000414489464 823994309 /nfs/dbraw/zinc/99/43/09/823994309.db2.gz SMZWDYNZADEAKK-RBBKRZOGSA-N 1 1 380.513 4.338 20 0 GIADMO CN(c1ccccc1CNCc1cnccc1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000414496162 823995179 /nfs/dbraw/zinc/99/51/79/823995179.db2.gz IEBZZFJBCKTQIP-UHFFFAOYSA-N 1 1 380.580 4.199 20 0 GIADMO CCN(C(C)=O)c1nc(C[NH2+]CC2(c3c(F)cccc3F)CCC2)cs1 ZINC000414503745 823997020 /nfs/dbraw/zinc/99/70/20/823997020.db2.gz IWHDLLPNOJNWHT-UHFFFAOYSA-N 1 1 379.476 4.006 20 0 GIADMO COc1ccccc1C(C)(C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575794995 823998902 /nfs/dbraw/zinc/99/89/02/823998902.db2.gz NCBJUESUKQCUGH-OAQYLSRUSA-N 1 1 394.559 4.391 20 0 GIADMO COc1cc(Br)c(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1OC ZINC000414521938 824000659 /nfs/dbraw/zinc/00/06/59/824000659.db2.gz FJGHKQCEFBULBF-GOSISDBHSA-N 1 1 398.341 4.103 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000414523401 824001270 /nfs/dbraw/zinc/00/12/70/824001270.db2.gz GQEZIIKFUNAGSK-QHCPKHFHSA-N 1 1 396.531 4.306 20 0 GIADMO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812696 824001944 /nfs/dbraw/zinc/00/19/44/824001944.db2.gz NXWSLILBNHBNGK-QAPCUYQASA-N 1 1 393.409 4.094 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812696 824001951 /nfs/dbraw/zinc/00/19/51/824001951.db2.gz NXWSLILBNHBNGK-QAPCUYQASA-N 1 1 393.409 4.094 20 0 GIADMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000575820127 824003161 /nfs/dbraw/zinc/00/31/61/824003161.db2.gz QKYVJNHSVWZWDA-RTBURBONSA-N 1 1 381.358 4.085 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000192471055 824003941 /nfs/dbraw/zinc/00/39/41/824003941.db2.gz SSICPWJRXANHFS-AWEZNQCLSA-N 1 1 394.357 4.133 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+](C[C@@H](C)O)C3CCCCC3)cs2)cc1OC ZINC000170915110 824004145 /nfs/dbraw/zinc/00/41/45/824004145.db2.gz LCHHJTKEDYDNFG-OAHLLOKOSA-N 1 1 390.549 4.343 20 0 GIADMO CN(C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1)C(=O)OC(C)(C)C ZINC000170917789 824004458 /nfs/dbraw/zinc/00/44/58/824004458.db2.gz IWJUFUBNRYLUPR-HNNXBMFYSA-N 1 1 389.471 4.170 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1)C(=O)OC(C)(C)C ZINC000170917789 824004464 /nfs/dbraw/zinc/00/44/64/824004464.db2.gz IWJUFUBNRYLUPR-HNNXBMFYSA-N 1 1 389.471 4.170 20 0 GIADMO CN(C[C@@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(=O)OC(C)(C)C ZINC000170919339 824005119 /nfs/dbraw/zinc/00/51/19/824005119.db2.gz ODEYRMQBIKVMQL-HNNXBMFYSA-N 1 1 379.570 4.490 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(=O)OC(C)(C)C ZINC000170919339 824005128 /nfs/dbraw/zinc/00/51/28/824005128.db2.gz ODEYRMQBIKVMQL-HNNXBMFYSA-N 1 1 379.570 4.490 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cnc2c(C)cccn12)C(C)C ZINC000414537915 824005179 /nfs/dbraw/zinc/00/51/79/824005179.db2.gz ADPQVMHLIFTIQE-LJQANCHMSA-N 1 1 399.560 4.015 20 0 GIADMO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000575830216 824006157 /nfs/dbraw/zinc/00/61/57/824006157.db2.gz LAPZDDWOBPXTDR-KBPBESRZSA-N 1 1 388.393 4.208 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](N2CCCC2=O)CC1)c1cccc(Br)c1 ZINC000414550454 824008974 /nfs/dbraw/zinc/00/89/74/824008974.db2.gz NBCFKVJYWPFIJR-QAPCUYQASA-N 1 1 379.342 4.030 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cnc2ccc(C)cn12)C(C)C ZINC000414555840 824011301 /nfs/dbraw/zinc/01/13/01/824011301.db2.gz MTUXWXXKCLWLHZ-IBGZPJMESA-N 1 1 399.560 4.015 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000127079262 824012962 /nfs/dbraw/zinc/01/29/62/824012962.db2.gz XDPVDJKUEBSJLK-YJBOKZPZSA-N 1 1 390.449 4.158 20 0 GIADMO Cc1cccnc1[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000127094269 824016250 /nfs/dbraw/zinc/01/62/50/824016250.db2.gz SMPSNKFRMJRURQ-RBBKRZOGSA-N 1 1 394.563 4.393 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000170961364 824019894 /nfs/dbraw/zinc/01/98/94/824019894.db2.gz UCPCFQYHLNGRGW-KRWDZBQOSA-N 1 1 379.529 4.498 20 0 GIADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000414666174 824022140 /nfs/dbraw/zinc/02/21/40/824022140.db2.gz WIZHIBNJNRNTEP-MRXNPFEDSA-N 1 1 380.275 4.180 20 0 GIADMO COc1ccccc1[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1 ZINC000192559589 824031529 /nfs/dbraw/zinc/03/15/29/824031529.db2.gz REFFFTOPISVVND-JOCHJYFZSA-N 1 1 390.508 4.488 20 0 GIADMO Cc1cc(CNc2cc[nH+]c3cc(Br)ccc23)nc(N2CCCC2)n1 ZINC000575930618 824031574 /nfs/dbraw/zinc/03/15/74/824031574.db2.gz JHBYMOITLDODSO-UHFFFAOYSA-N 1 1 398.308 4.308 20 0 GIADMO O=C(CCc1cscn1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000170999367 824032935 /nfs/dbraw/zinc/03/29/35/824032935.db2.gz JXVSOJWZASCOIF-UHFFFAOYSA-N 1 1 398.359 4.163 20 0 GIADMO C[C@H]1CN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000575943936 824033922 /nfs/dbraw/zinc/03/39/22/824033922.db2.gz WCQBPQNLLPYZNL-GOSISDBHSA-N 1 1 397.563 4.152 20 0 GIADMO C[C@@H](NCc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414856220 824043045 /nfs/dbraw/zinc/04/30/45/824043045.db2.gz OCORLVSHNHTQDX-TZMCWYRMSA-N 1 1 380.355 4.050 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cc(Cl)c(Cl)cc1O ZINC000192602654 824043559 /nfs/dbraw/zinc/04/35/59/824043559.db2.gz XKORXXKYGZJRBU-ZETCQYMHSA-N 1 1 393.192 4.406 20 0 GIADMO Cc1cc(N)cc(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000414899565 824047636 /nfs/dbraw/zinc/04/76/36/824047636.db2.gz CMTDVVWPAZECQP-UHFFFAOYSA-N 1 1 377.492 4.267 20 0 GIADMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000171058754 824050576 /nfs/dbraw/zinc/05/05/76/824050576.db2.gz JJCWUPWWBDXZDE-JOCHJYFZSA-N 1 1 380.532 4.250 20 0 GIADMO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH+]1CCC2(CCOC2=O)CC1 ZINC000359864921 206265690 /nfs/dbraw/zinc/26/56/90/206265690.db2.gz CKDBBPPVUAAKGF-UHFFFAOYSA-N 1 1 394.302 4.017 20 0 GIADMO c1ccc(-c2noc(C3CC[NH+](Cc4nnc(-c5ccccc5)o4)CC3)n2)cc1 ZINC000359928688 206270988 /nfs/dbraw/zinc/27/09/88/206270988.db2.gz XVRIMPAODTVSLW-UHFFFAOYSA-N 1 1 387.443 4.166 20 0 GIADMO COc1ccc([C@@H](O)[C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000359979797 206276063 /nfs/dbraw/zinc/27/60/63/206276063.db2.gz VGMFHWXZIVCCLR-UYAOXDASSA-N 1 1 399.878 4.097 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nc(N(C)C)cc(C(F)(F)F)n1 ZINC000071954800 207965190 /nfs/dbraw/zinc/96/51/90/207965190.db2.gz IFSUZALGBUMPLF-UHFFFAOYSA-N 1 1 381.446 4.014 20 0 GIADMO CC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000071982731 207965979 /nfs/dbraw/zinc/96/59/79/207965979.db2.gz LKWUOKSUNPCNBH-QHCPKHFHSA-N 1 1 376.431 4.346 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4NC(=O)[C@@H]3C2)nc1 ZINC001164400899 718858975 /nfs/dbraw/zinc/85/89/75/718858975.db2.gz AQTKMXMYIPXOGC-TUNNFDKTSA-N 1 1 390.531 4.191 20 0 GIADMO Clc1nnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2ccccc12 ZINC001164622706 719061304 /nfs/dbraw/zinc/06/13/04/719061304.db2.gz IQFLDJZTVGLLKS-FXAWDEMLSA-N 1 1 378.907 4.384 20 0 GIADMO CC(C)(C)OC(=O)c1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164621042 719061427 /nfs/dbraw/zinc/06/14/27/719061427.db2.gz GMPBNJILWTWMKT-NHCUHLMSSA-N 1 1 393.531 4.138 20 0 GIADMO Clc1cccc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ncc12 ZINC001164628522 719082371 /nfs/dbraw/zinc/08/23/71/719082371.db2.gz SFAUJNAWCALXER-LAUBAEHRSA-N 1 1 378.907 4.384 20 0 GIADMO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(COC5CCC5)cn4)[C@@H]3C2)cc1 ZINC001164628981 719108958 /nfs/dbraw/zinc/10/89/58/719108958.db2.gz PJTRRPFZPFQKMK-FYYLOGMGSA-N 1 1 377.532 4.252 20 0 GIADMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164633433 719211000 /nfs/dbraw/zinc/21/10/00/719211000.db2.gz DREULOAJULZDNW-KBPBESRZSA-N 1 1 381.854 4.356 20 0 GIADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164633433 719211001 /nfs/dbraw/zinc/21/10/01/719211001.db2.gz DREULOAJULZDNW-KBPBESRZSA-N 1 1 381.854 4.356 20 0 GIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cccc(OC(C)C)n2)CC3)cs1 ZINC001164691994 719809529 /nfs/dbraw/zinc/80/95/29/719809529.db2.gz DTMULMULDXMTAC-UHFFFAOYSA-N 1 1 386.565 4.269 20 0 GIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(CC(C)C)ncn2)CC3)cs1 ZINC001164691563 719814543 /nfs/dbraw/zinc/81/45/43/719814543.db2.gz HJPJKJHDNRLGRX-UHFFFAOYSA-N 1 1 385.581 4.075 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164806438 720098979 /nfs/dbraw/zinc/09/89/79/720098979.db2.gz CTUCJTWVFGELMA-GCJKJVERSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3cccc(Cl)c31)C2 ZINC001164814466 720121771 /nfs/dbraw/zinc/12/17/71/720121771.db2.gz SZQXCMGCBAMLBQ-GCJKJVERSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(Cl)cc3n1)C2 ZINC001164815874 720138987 /nfs/dbraw/zinc/13/89/87/720138987.db2.gz WRMRUKJHIYYAGM-JPYJTQIMSA-N 1 1 399.966 4.381 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(C)c(C)c3n1)C2 ZINC001164815069 720173826 /nfs/dbraw/zinc/17/38/26/720173826.db2.gz HVLJEFAIKHCHKQ-BWKNWUBXSA-N 1 1 393.575 4.345 20 0 GIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725386 720381222 /nfs/dbraw/zinc/38/12/22/720381222.db2.gz NDTBHCBHDBKHKR-CABCVRRESA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725386 720381229 /nfs/dbraw/zinc/38/12/29/720381229.db2.gz NDTBHCBHDBKHKR-CABCVRRESA-N 1 1 399.272 4.182 20 0 GIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727748 720414365 /nfs/dbraw/zinc/41/43/65/720414365.db2.gz FAYMGVOTKNWQLM-VQTJNVASSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1nc(C2CCCCC2)cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164734745 720425975 /nfs/dbraw/zinc/42/59/75/720425975.db2.gz UAMHRIRHQXMHDH-FCHUYYIVSA-N 1 1 377.536 4.081 20 0 GIADMO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164734746 720426390 /nfs/dbraw/zinc/42/63/90/720426390.db2.gz UAMHRIRHQXMHDH-FGZHOGPDSA-N 1 1 377.536 4.081 20 0 GIADMO CSCc1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841670 720722529 /nfs/dbraw/zinc/72/25/29/720722529.db2.gz VLQHGVRSBWPFAS-OAQYLSRUSA-N 1 1 397.588 4.205 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3OCCC[C@@]3(COC)C2)nc1 ZINC001164847021 720829364 /nfs/dbraw/zinc/82/93/64/720829364.db2.gz HOYBMFAQRMOVDQ-XPNTWCBSSA-N 1 1 387.568 4.041 20 0 GIADMO Cc1ccc(Cl)nc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856349 720976758 /nfs/dbraw/zinc/97/67/58/720976758.db2.gz BRYMDHGMOWMLTE-AWEZNQCLSA-N 1 1 397.901 4.206 20 0 GIADMO Fc1ccc(-c2nnc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c3ccccc32)cc1 ZINC001164768776 721299143 /nfs/dbraw/zinc/29/91/43/721299143.db2.gz GIZQQJGUBOYDMP-UHFFFAOYSA-N 1 1 388.490 4.358 20 0 GIADMO Clc1ccc(-c2ccccc2)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789671 721408584 /nfs/dbraw/zinc/40/85/84/721408584.db2.gz WDUMYIGQEKCJAY-IAGOWNOFSA-N 1 1 396.947 4.427 20 0 GIADMO Cc1c(Cl)ccc2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164780598 721421509 /nfs/dbraw/zinc/42/15/09/721421509.db2.gz BMZQGMFRATWWCM-IYBDPMFKSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1c(Cl)ccc2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164780598 721421511 /nfs/dbraw/zinc/42/15/11/721421511.db2.gz BMZQGMFRATWWCM-IYBDPMFKSA-N 1 1 384.936 4.221 20 0 GIADMO Fc1ccc(Cl)c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc12 ZINC001164789565 721435846 /nfs/dbraw/zinc/43/58/46/721435846.db2.gz VTGUVZAQXKLDJO-CHWSQXEVSA-N 1 1 388.899 4.052 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)nc1 ZINC001164888195 721467356 /nfs/dbraw/zinc/46/73/56/721467356.db2.gz FDQYJQNXWJNIIQ-BHDDXSALSA-N 1 1 398.595 4.102 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164792263 721495428 /nfs/dbraw/zinc/49/54/28/721495428.db2.gz LXFXTZKMACUHOU-HXUWFJFHSA-N 1 1 388.918 4.475 20 0 GIADMO Cc1c[nH]c2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)ccc12 ZINC001164908466 721750915 /nfs/dbraw/zinc/75/09/15/721750915.db2.gz JWAZQHIACBOUKW-UHFFFAOYSA-N 1 1 387.487 4.054 20 0 GIADMO Cc1c[nH]c2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)ccc12 ZINC001164908466 721750922 /nfs/dbraw/zinc/75/09/22/721750922.db2.gz JWAZQHIACBOUKW-UHFFFAOYSA-N 1 1 387.487 4.054 20 0 GIADMO Cc1csc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165019631 721799136 /nfs/dbraw/zinc/79/91/36/721799136.db2.gz DKDZUCGRNFEXGZ-QXAKKESOSA-N 1 1 393.560 4.132 20 0 GIADMO Cc1nc2ccsc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024582 721799310 /nfs/dbraw/zinc/79/93/10/721799310.db2.gz MFRMXJNBCYIFBM-ILZDJORESA-N 1 1 393.560 4.132 20 0 GIADMO Cc1nc(C(C)C)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025797 721802077 /nfs/dbraw/zinc/80/20/77/721802077.db2.gz OYCGETGZFUSMNX-DWLFOUALSA-N 1 1 379.552 4.040 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc(C4CC4)n3)C[C@@H]21 ZINC001165018731 721803628 /nfs/dbraw/zinc/80/36/28/721803628.db2.gz CGEQEEKAAQTZSF-YTQUADARSA-N 1 1 397.954 4.139 20 0 GIADMO Cc1cccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165027655 721813972 /nfs/dbraw/zinc/81/39/72/721813972.db2.gz VKWKYRLWMQPCGY-RCZSKKKRSA-N 1 1 387.531 4.070 20 0 GIADMO CC(C)Oc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026158 721815550 /nfs/dbraw/zinc/81/55/50/721815550.db2.gz PIXMMAHZJFDBKN-BWAGFHJFSA-N 1 1 380.536 4.001 20 0 GIADMO CC(C)Oc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026158 721815551 /nfs/dbraw/zinc/81/55/51/721815551.db2.gz PIXMMAHZJFDBKN-BWAGFHJFSA-N 1 1 380.536 4.001 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(OC(C)(C)C)n3)C[C@@H]21 ZINC001165029659 721815867 /nfs/dbraw/zinc/81/58/67/721815867.db2.gz ZYMDKRYBLAVIBM-HLAWJBBLSA-N 1 1 394.563 4.391 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2[nH]ccc21 ZINC001165028293 721817855 /nfs/dbraw/zinc/81/78/55/721817855.db2.gz XHBACILAOADBKU-WMQCIHAUSA-N 1 1 375.520 4.003 20 0 GIADMO Cc1csc2cnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165020757 721821364 /nfs/dbraw/zinc/82/13/64/721821364.db2.gz DPFFFOUQJVRTTC-YTQUADARSA-N 1 1 393.560 4.132 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)C)n1 ZINC001165021538 721823655 /nfs/dbraw/zinc/82/36/55/721823655.db2.gz GAOMDCVNAMOKKL-JBACZVJFSA-N 1 1 379.552 4.040 20 0 GIADMO CCSc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165021403 721829266 /nfs/dbraw/zinc/82/92/66/721829266.db2.gz FIFFIDWLQDWICF-IOMROCGXSA-N 1 1 382.577 4.326 20 0 GIADMO CCc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)nc1C ZINC001165029616 721831231 /nfs/dbraw/zinc/83/12/31/721831231.db2.gz XGZXAKDXBHYJEQ-QRFRQXIXSA-N 1 1 399.970 4.133 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)ccc4C)CC3)C2)cc1 ZINC001164939952 721920448 /nfs/dbraw/zinc/92/04/48/721920448.db2.gz XCLMBEAEEYFFRU-UHFFFAOYSA-N 1 1 385.939 4.223 20 0 GIADMO Clc1ccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cnc2c1 ZINC001164951591 722015719 /nfs/dbraw/zinc/01/57/19/722015719.db2.gz BHHPIESOLITAMA-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Clc1ccc2cnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164955439 722018722 /nfs/dbraw/zinc/01/87/22/722018722.db2.gz GVUVXHQPBDUGPO-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO c1ccc(-c2cc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc3ccccc32)cc1 ZINC001164966558 722075586 /nfs/dbraw/zinc/07/55/86/722075586.db2.gz BAXKUVIRPUBUDM-OYRHEFFESA-N 1 1 385.511 4.201 20 0 GIADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001164981575 722098380 /nfs/dbraw/zinc/09/83/80/722098380.db2.gz LTHKJQDVUPGMLS-NLWGTHIKSA-N 1 1 398.938 4.012 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4cc(F)ccc42)C3)c1 ZINC001164993284 722193507 /nfs/dbraw/zinc/19/35/07/722193507.db2.gz FFEQKJCAGXPTRH-QFIPXVFZSA-N 1 1 380.442 4.153 20 0 GIADMO Cc1ccc2nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ncc2c1 ZINC001164994487 722201298 /nfs/dbraw/zinc/20/12/98/722201298.db2.gz ICVMTJDZCWJNHI-HSZRJFAPSA-N 1 1 376.479 4.322 20 0 GIADMO CC(C)n1ccc2c1ncnc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996219 722206827 /nfs/dbraw/zinc/20/68/27/722206827.db2.gz RREYPCUJPYHSEU-HSZRJFAPSA-N 1 1 393.510 4.396 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187344919 823046525 /nfs/dbraw/zinc/04/65/25/823046525.db2.gz VNDPQJSTAAXKOV-XXBNENTESA-N 1 1 399.579 4.162 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)cs1 ZINC000187346292 823047008 /nfs/dbraw/zinc/04/70/08/823047008.db2.gz UWJNEGCGOPJJFQ-UHFFFAOYSA-N 1 1 379.476 4.414 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175824795 823048569 /nfs/dbraw/zinc/04/85/69/823048569.db2.gz XZWUFQLBGUFHPP-PMACEKPBSA-N 1 1 386.561 4.073 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)C2)C1 ZINC000570522300 823049498 /nfs/dbraw/zinc/04/94/98/823049498.db2.gz ZHEPKRWGKQZDGJ-RBBKRZOGSA-N 1 1 384.520 4.213 20 0 GIADMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000061255719 823587724 /nfs/dbraw/zinc/58/77/24/823587724.db2.gz WXCQCYBDPCJQCD-MRXNPFEDSA-N 1 1 389.337 4.409 20 0 GIADMO CCOc1cccc2[nH]cc(CC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)c21 ZINC000187367741 823050711 /nfs/dbraw/zinc/05/07/11/823050711.db2.gz OACIRLPDXMVZOX-UHFFFAOYSA-N 1 1 393.531 4.266 20 0 GIADMO COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]3C[C@H](O)c3cccs3)ccc2o1 ZINC000175847824 823054381 /nfs/dbraw/zinc/05/43/81/823054381.db2.gz IECRYIFVEKSSDT-IRXDYDNUSA-N 1 1 385.485 4.369 20 0 GIADMO COCCCOc1cccc(C[NH2+][C@H](C)c2ncc(Br)cc2F)c1 ZINC000187389619 823054479 /nfs/dbraw/zinc/05/44/79/823054479.db2.gz AFAANIDFOCOVIV-CYBMUJFWSA-N 1 1 397.288 4.249 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc(F)c(Cl)nc1Cl)C1CC1 ZINC000187389640 823054655 /nfs/dbraw/zinc/05/46/55/823054655.db2.gz RWEYHLFCAUOWTR-MRXNPFEDSA-N 1 1 396.293 4.168 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000175849286 823055083 /nfs/dbraw/zinc/05/50/83/823055083.db2.gz YCJLZSXVKRRCHO-UHFFFAOYSA-N 1 1 381.520 4.209 20 0 GIADMO Cc1ccc([C@H](NC(=O)C[N@@H+](C)CCC2CCOCC2)c2cccs2)cc1 ZINC000120743550 823055649 /nfs/dbraw/zinc/05/56/49/823055649.db2.gz ABUFFOSZFHDURF-QFIPXVFZSA-N 1 1 386.561 4.011 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)Nc1cc(F)ccc1F ZINC000175853278 823056090 /nfs/dbraw/zinc/05/60/90/823056090.db2.gz CHEISVLFRSATPN-CRAIPNDOSA-N 1 1 394.487 4.333 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)Nc1cc(F)ccc1F ZINC000175853278 823056095 /nfs/dbraw/zinc/05/60/95/823056095.db2.gz CHEISVLFRSATPN-CRAIPNDOSA-N 1 1 394.487 4.333 20 0 GIADMO Cc1ccc(-c2noc(CNc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2)cc1 ZINC000055869970 823057652 /nfs/dbraw/zinc/05/76/52/823057652.db2.gz LCEWRYWGPFDPJG-HDICACEKSA-N 1 1 392.503 4.266 20 0 GIADMO Cc1ccc(-c2noc(CNc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2)cc1 ZINC000055869970 823057658 /nfs/dbraw/zinc/05/76/58/823057658.db2.gz LCEWRYWGPFDPJG-HDICACEKSA-N 1 1 392.503 4.266 20 0 GIADMO CSc1ccc(CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000175862848 823058074 /nfs/dbraw/zinc/05/80/74/823058074.db2.gz IAOTYUWLEDXOSM-FQEVSTJZSA-N 1 1 383.561 4.072 20 0 GIADMO COc1ccc([C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c2ccco2)cc1 ZINC000458588204 823059918 /nfs/dbraw/zinc/05/99/18/823059918.db2.gz WEINMPCKCIBWAZ-AVRDEDQJSA-N 1 1 399.535 4.045 20 0 GIADMO Cc1coc(-c2ccc(C)c(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)c2)n1 ZINC000120766248 823060027 /nfs/dbraw/zinc/06/00/27/823060027.db2.gz DFTDZJGHPLCZLB-KRWDZBQOSA-N 1 1 375.472 4.344 20 0 GIADMO Cc1coc(-c2ccc(C)c(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)c2)n1 ZINC000120766248 823060032 /nfs/dbraw/zinc/06/00/32/823060032.db2.gz DFTDZJGHPLCZLB-KRWDZBQOSA-N 1 1 375.472 4.344 20 0 GIADMO Cc1cnc([C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)s1 ZINC000175870147 823060122 /nfs/dbraw/zinc/06/01/22/823060122.db2.gz QUIWHBGVCPLGII-OXJNMPFZSA-N 1 1 398.576 4.209 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 ZINC000055898148 823063354 /nfs/dbraw/zinc/06/33/54/823063354.db2.gz RFCBDZODDDLQDD-KRWDZBQOSA-N 1 1 397.569 4.470 20 0 GIADMO C[C@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1nc(C(F)(F)F)cs1 ZINC000570622689 823063605 /nfs/dbraw/zinc/06/36/05/823063605.db2.gz CRIAQUSKIOYLBT-SWLSCSKDSA-N 1 1 396.434 4.406 20 0 GIADMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055904193 823064700 /nfs/dbraw/zinc/06/47/00/823064700.db2.gz VAHRSGVHJCDYAD-UHFFFAOYSA-N 1 1 378.472 4.240 20 0 GIADMO C[C@@H](NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458622351 823065142 /nfs/dbraw/zinc/06/51/42/823065142.db2.gz BGJNVCPGKKCPOT-CVYDXHPNSA-N 1 1 389.506 4.450 20 0 GIADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000120795322 823065551 /nfs/dbraw/zinc/06/55/51/823065551.db2.gz FDBJLSGTYQDWGA-YJYMSZOUSA-N 1 1 396.503 4.311 20 0 GIADMO CC(C)n1cc(C2=CCC[N@@H+](Cc3cnc(-c4ccccn4)s3)CC2)nn1 ZINC000570640790 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CCC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1F ZINC000120860502 823078405 /nfs/dbraw/zinc/07/84/05/823078405.db2.gz QAVMYAVTJKNYJP-VLIAUNLRSA-N 1 1 396.503 4.407 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000056012331 823078945 /nfs/dbraw/zinc/07/89/45/823078945.db2.gz BMCCTPWKHSXCQI-CYBMUJFWSA-N 1 1 380.414 4.066 20 0 GIADMO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2c(C)nn(C)c2Cl)cn1 ZINC000120863852 823079095 /nfs/dbraw/zinc/07/90/95/823079095.db2.gz ULEQERKNVRCDLH-UHFFFAOYSA-N 1 1 386.883 4.258 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)c2ccc(F)cc2)cn1 ZINC000187515794 823079228 /nfs/dbraw/zinc/07/92/28/823079228.db2.gz QNCAECITKUOBQA-SFHVURJKSA-N 1 1 379.357 4.337 20 0 GIADMO O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056039353 823080844 /nfs/dbraw/zinc/08/08/44/823080844.db2.gz UQHLHFQJHSFEIE-UHFFFAOYSA-N 1 1 391.515 4.004 20 0 GIADMO CCC[C@@H]1CN(C(=O)c2cncc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000570754107 823081252 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CC[C@]1(CO)CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000187581299 823092249 /nfs/dbraw/zinc/09/22/49/823092249.db2.gz QERAHYCHSSFJDG-SFHVURJKSA-N 1 1 379.298 4.089 20 0 GIADMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000187581773 823092335 /nfs/dbraw/zinc/09/23/35/823092335.db2.gz FUVCOUJXQOAVSD-SFHVURJKSA-N 1 1 378.875 4.187 20 0 GIADMO O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1ccccc1 ZINC000056153593 823090607 /nfs/dbraw/zinc/09/06/07/823090607.db2.gz AWHCKEZGJZJCPP-XMMPIXPASA-N 1 1 386.495 4.375 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)[C@@H](C)C1 ZINC000458816152 823091026 /nfs/dbraw/zinc/09/10/26/823091026.db2.gz IMKPREYVMBMTKT-JQHSSLGASA-N 1 1 385.474 4.094 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NC(C)(C)c3cccc(Cl)c3)CC2)cs1 ZINC000120948951 823091520 /nfs/dbraw/zinc/09/15/20/823091520.db2.gz HSBOYEMXXWCUON-UHFFFAOYSA-N 1 1 391.968 4.368 20 0 GIADMO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)cc1OC ZINC000056161953 823093242 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CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC000176043516 823104980 /nfs/dbraw/zinc/10/49/80/823104980.db2.gz GMOTYGUBHBPHBW-SIWPHUPXSA-N 1 1 393.531 4.007 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000121029526 823105669 /nfs/dbraw/zinc/10/56/69/823105669.db2.gz QNPDOXPNILBHIF-OAQYLSRUSA-N 1 1 391.559 4.019 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000121029526 823105672 /nfs/dbraw/zinc/10/56/72/823105672.db2.gz QNPDOXPNILBHIF-OAQYLSRUSA-N 1 1 391.559 4.019 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000121029526 823105674 /nfs/dbraw/zinc/10/56/74/823105674.db2.gz QNPDOXPNILBHIF-OAQYLSRUSA-N 1 1 391.559 4.019 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000187669228 823109780 /nfs/dbraw/zinc/10/97/80/823109780.db2.gz ATLQIHYDRJRAJD-ZDUSSCGKSA-N 1 1 388.861 4.191 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)C1 ZINC000187669250 823109803 /nfs/dbraw/zinc/10/98/03/823109803.db2.gz ATLQIHYDRJRAJD-CYBMUJFWSA-N 1 1 388.861 4.191 20 0 GIADMO Cc1csc2nc(C[N@@H+](C)[C@H](C)c3sc(C(C)C)nc3C)cc(=O)n12 ZINC000121054209 823109889 /nfs/dbraw/zinc/10/98/89/823109889.db2.gz WEAHBYXZWLCRTA-CYBMUJFWSA-N 1 1 376.551 4.146 20 0 GIADMO Cc1csc2nc(C[N@H+](C)[C@H](C)c3sc(C(C)C)nc3C)cc(=O)n12 ZINC000121054209 823109890 /nfs/dbraw/zinc/10/98/90/823109890.db2.gz WEAHBYXZWLCRTA-CYBMUJFWSA-N 1 1 376.551 4.146 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(Br)ccc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC000570957638 823111863 /nfs/dbraw/zinc/11/18/63/823111863.db2.gz FLRFXNVCPKICFV-QWHCGFSZSA-N 1 1 391.284 4.044 20 0 GIADMO C[C@H]([NH2+]Cc1cc(Br)ccc1F)C(=O)N1c2ccccc2C[C@H]1C ZINC000570957637 823111976 /nfs/dbraw/zinc/11/19/76/823111976.db2.gz FLRFXNVCPKICFV-OLZOCXBDSA-N 1 1 391.284 4.044 20 0 GIADMO CCCCCNC(=O)C1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000121076703 823114045 /nfs/dbraw/zinc/11/40/45/823114045.db2.gz ZPICIVQAVCVKJX-UHFFFAOYSA-N 1 1 397.441 4.365 20 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ZINC000176115600 823125099 /nfs/dbraw/zinc/12/50/99/823125099.db2.gz PJNRPRMTSCSKAY-QWFCFKBJSA-N 1 1 398.572 4.345 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2ccccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000176117284 823125815 /nfs/dbraw/zinc/12/58/15/823125815.db2.gz KBIIJDUTRFXFBP-DOTOQJQBSA-N 1 1 376.422 4.488 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)CCCOCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000176120606 823126827 /nfs/dbraw/zinc/12/68/27/823126827.db2.gz OHHHUVNJFCKJST-ZJSXRUAMSA-N 1 1 394.559 4.195 20 0 GIADMO COc1cc(CNc2ccc(C3CCC3)c[nH+]2)cc(OC)c1OCC(F)F ZINC000571065074 823126869 /nfs/dbraw/zinc/12/68/69/823126869.db2.gz MDBYFNLGIUFWRP-UHFFFAOYSA-N 1 1 378.419 4.044 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)c2cccnc2SC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000176122258 823127615 /nfs/dbraw/zinc/12/76/15/823127615.db2.gz XVCIQBNQNUEJHI-GDBMZVCRSA-N 1 1 391.487 4.179 20 0 GIADMO C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000571070027 823127730 /nfs/dbraw/zinc/12/77/30/823127730.db2.gz BSKYYVJQRCJSNX-KBXCAEBGSA-N 1 1 390.936 4.026 20 0 GIADMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000571070438 823127852 /nfs/dbraw/zinc/12/78/52/823127852.db2.gz RPGCBWDPZDDWBZ-LJQANCHMSA-N 1 1 382.895 4.191 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2c(F)c(F)cc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000176123844 823128623 /nfs/dbraw/zinc/12/86/23/823128623.db2.gz OYHNCVHNPOBZHA-OCCSQVGLSA-N 1 1 380.385 4.026 20 0 GIADMO C[C@H](CNC(=O)CCc1ccc(-c2ccccc2)[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000056328196 823128880 /nfs/dbraw/zinc/12/88/80/823128880.db2.gz BBIVHJFEHKIPLJ-QGZVFWFLSA-N 1 1 393.556 4.239 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Cc2csc(C(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000176124814 823128869 /nfs/dbraw/zinc/12/88/69/823128869.db2.gz NLXOXFZDYZVLTC-WMZOPIPTSA-N 1 1 385.577 4.152 20 0 GIADMO C[C@H](CNC(=O)CCc1ccc(-c2ccccc2)[nH]1)[N@H+]1CCc2sccc2C1 ZINC000056328196 823128882 /nfs/dbraw/zinc/12/88/82/823128882.db2.gz BBIVHJFEHKIPLJ-QGZVFWFLSA-N 1 1 393.556 4.239 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)CC[N@H+]1Cc1ccccc1 ZINC000176134532 823132331 /nfs/dbraw/zinc/13/23/31/823132331.db2.gz LXFWKBGTNBGKFK-JXFKEZNVSA-N 1 1 379.479 4.019 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC000571120529 823135529 /nfs/dbraw/zinc/13/55/29/823135529.db2.gz RBQLWNSWDFNFHX-KKLQWCBXSA-N 1 1 393.531 4.062 20 0 GIADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc2ccc(F)cc2nc1C ZINC000121192121 823135588 /nfs/dbraw/zinc/13/55/88/823135588.db2.gz QCJZHUHNJINYKQ-OFNKIYASSA-N 1 1 389.474 4.439 20 0 GIADMO CCSc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)ccn1 ZINC000187792963 823134083 /nfs/dbraw/zinc/13/40/83/823134083.db2.gz LKMAXWOYYYFCCJ-UYAOXDASSA-N 1 1 391.968 4.009 20 0 GIADMO CCSc1cc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)ccn1 ZINC000187792930 823134212 /nfs/dbraw/zinc/13/42/12/823134212.db2.gz LKMAXWOYYYFCCJ-AZUAARDMSA-N 1 1 391.968 4.009 20 0 GIADMO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000176143923 823134754 /nfs/dbraw/zinc/13/47/54/823134754.db2.gz NGIFTAPHIONGMM-OXQOHEQNSA-N 1 1 378.476 4.005 20 0 GIADMO CCN(C(=O)NCCC1CC(F)(F)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459145328 823134708 /nfs/dbraw/zinc/13/47/08/823134708.db2.gz WMEIYIOFWRYNCO-APWZRJJASA-N 1 1 379.495 4.289 20 0 GIADMO CC(C)N(Cc1cccc(Br)c1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459159892 823136271 /nfs/dbraw/zinc/13/62/71/823136271.db2.gz OKRKYPNMRWYKCC-UHFFFAOYSA-N 1 1 396.373 4.244 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)NCC2(C3CCC3)CCC2)CC1 ZINC000459160289 823136386 /nfs/dbraw/zinc/13/63/86/823136386.db2.gz DQRDILOCTTZUPD-NRFANRHFSA-N 1 1 384.568 4.048 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)c2)cc1 ZINC000121201621 823137579 /nfs/dbraw/zinc/13/75/79/823137579.db2.gz QNCJVXGNZHSMOQ-LJQANCHMSA-N 1 1 390.487 4.050 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)c2)cc1 ZINC000121201621 823137580 /nfs/dbraw/zinc/13/75/80/823137580.db2.gz QNCJVXGNZHSMOQ-LJQANCHMSA-N 1 1 390.487 4.050 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)c2)cc1 ZINC000121201621 823137581 /nfs/dbraw/zinc/13/75/81/823137581.db2.gz QNCJVXGNZHSMOQ-LJQANCHMSA-N 1 1 390.487 4.050 20 0 GIADMO C[N@@H+](CCCCNC(=O)N(Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000459170892 823137668 /nfs/dbraw/zinc/13/76/68/823137668.db2.gz XLDKCTDVCODCRX-UHFFFAOYSA-N 1 1 397.588 4.302 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cn1 ZINC000056374316 823139129 /nfs/dbraw/zinc/13/91/29/823139129.db2.gz RHIVXZBNKZPVRM-HXUWFJFHSA-N 1 1 397.910 4.426 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@H](C)C[S@](C)=O)cc1 ZINC000187829455 823141669 /nfs/dbraw/zinc/14/16/69/823141669.db2.gz HRZFGMHGSOQBGJ-CLYVBNDRSA-N 1 1 381.545 4.047 20 0 GIADMO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000121241516 823145749 /nfs/dbraw/zinc/14/57/49/823145749.db2.gz LICXNQOWXPVZRE-JKSUJKDBSA-N 1 1 392.638 4.104 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccccc2N2CCCC2)ccc1OC(=O)C1CC1 ZINC000121233672 823144023 /nfs/dbraw/zinc/14/40/23/823144023.db2.gz MKAPHXQSKVDCIO-UHFFFAOYSA-N 1 1 394.515 4.243 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000056381384 823140595 /nfs/dbraw/zinc/14/05/95/823140595.db2.gz OAWMBEIAMOFQPP-LJQANCHMSA-N 1 1 391.437 4.038 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+]3CCCCC[C@@H]3c3ccco3)cc(=O)oc2c1 ZINC000121216499 823140575 /nfs/dbraw/zinc/14/05/75/823140575.db2.gz NGXNDLWSLHIXOW-LJQANCHMSA-N 1 1 380.444 4.462 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000176188249 823148481 /nfs/dbraw/zinc/14/84/81/823148481.db2.gz AXMQIMDCWRQWBH-OAHLLOKOSA-N 1 1 388.471 4.020 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000176188681 823148483 /nfs/dbraw/zinc/14/84/83/823148483.db2.gz QRTCNURTGPADQD-INIZCTEOSA-N 1 1 399.498 4.474 20 0 GIADMO C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000056443009 823150078 /nfs/dbraw/zinc/15/00/78/823150078.db2.gz BPJZTHRPQTWDHG-KRWDZBQOSA-N 1 1 385.552 4.085 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000459244196 823150814 /nfs/dbraw/zinc/15/08/14/823150814.db2.gz MTLOILYSHGNJFS-RZUBCFFCSA-N 1 1 386.584 4.089 20 0 GIADMO Cc1cc(N2CCC(NC(=O)N[C@@H](c3ccccc3C)C(C)C)CC2)nc(C)[nH+]1 ZINC000176202675 823151614 /nfs/dbraw/zinc/15/16/14/823151614.db2.gz QVKQNPZFDSYEHK-JOCHJYFZSA-N 1 1 395.551 4.067 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC2CCC(C(F)F)CC2)CC1 ZINC000459251002 823151992 /nfs/dbraw/zinc/15/19/92/823151992.db2.gz LBYGXDKRHHNINJ-UHFFFAOYSA-N 1 1 393.522 4.364 20 0 GIADMO COc1ccc(CN(Cc2ccccc2)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459263130 823153471 /nfs/dbraw/zinc/15/34/71/823153471.db2.gz LWYDLFOPMMVLDS-NRFANRHFSA-N 1 1 395.547 4.139 20 0 GIADMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1csc(-c2cccc(OC)c2)n1)c1ccccc1 ZINC000176222002 823156405 /nfs/dbraw/zinc/15/64/05/823156405.db2.gz RQMNIZAEZUWCLF-YWZLYKJASA-N 1 1 396.512 4.459 20 0 GIADMO CC(C)C[N@H+](Cc1cnc2c(cnn2C(C)C)c1)C[C@@H](O)c1ccc(F)cc1 ZINC000121280631 823153914 /nfs/dbraw/zinc/15/39/14/823153914.db2.gz CKAOWKPGEGLQBO-OAQYLSRUSA-N 1 1 384.499 4.343 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000176212678 823153964 /nfs/dbraw/zinc/15/39/64/823153964.db2.gz NMQFLILUYSOVKE-UHFFFAOYSA-N 1 1 378.476 4.263 20 0 GIADMO COc1ccc2c(c1)[C@@H](NCc1ccccc1OCC[NH+](C)C)CCCS2 ZINC000187896852 823154164 /nfs/dbraw/zinc/15/41/64/823154164.db2.gz BKYQEKMZWLYGTJ-FQEVSTJZSA-N 1 1 386.561 4.352 20 0 GIADMO CC(C)N(Cc1cccc(Br)c1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459273644 823154976 /nfs/dbraw/zinc/15/49/76/823154976.db2.gz YJGDMQPZXOPRRN-INIZCTEOSA-N 1 1 396.373 4.101 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000121288299 823155754 /nfs/dbraw/zinc/15/57/54/823155754.db2.gz PDEMICNHUIFBMJ-SPLOXXLWSA-N 1 1 389.465 4.194 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000121288141 823155830 /nfs/dbraw/zinc/15/58/30/823155830.db2.gz PDEMICNHUIFBMJ-LHSJRXKWSA-N 1 1 389.465 4.194 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)C1 ZINC000459284868 823156141 /nfs/dbraw/zinc/15/61/41/823156141.db2.gz DZMHOKHAKSBPKG-OAHLLOKOSA-N 1 1 381.923 4.133 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000571258853 823157084 /nfs/dbraw/zinc/15/70/84/823157084.db2.gz YPWUNXHKYKAPPL-ZLNRFVROSA-N 1 1 391.515 4.242 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 ZINC000571258854 823157122 /nfs/dbraw/zinc/15/71/22/823157122.db2.gz YPWUNXHKYKAPPL-ZRBLBEILSA-N 1 1 391.515 4.242 20 0 GIADMO CCCC[C@@H]([NH2+][C@H](C)c1nccnc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000187914875 823157424 /nfs/dbraw/zinc/15/74/24/823157424.db2.gz FEIVHUQQTBLNDH-WIYYLYMNSA-N 1 1 395.551 4.233 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 ZINC000571272434 823158894 /nfs/dbraw/zinc/15/88/94/823158894.db2.gz HJWLWRPROBCEBC-HNNXBMFYSA-N 1 1 383.458 4.217 20 0 GIADMO NC(=O)CC[C@@H]1CCC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459317436 823160323 /nfs/dbraw/zinc/16/03/23/823160323.db2.gz AZWNXIZQHSEFQQ-DJHHFUNSSA-N 1 1 378.516 4.256 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000459316671 823160363 /nfs/dbraw/zinc/16/03/63/823160363.db2.gz AQBFSYKOPUVBTK-MRXNPFEDSA-N 1 1 381.549 4.219 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000459316671 823160367 /nfs/dbraw/zinc/16/03/67/823160367.db2.gz AQBFSYKOPUVBTK-MRXNPFEDSA-N 1 1 381.549 4.219 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)C1 ZINC000459319144 823160638 /nfs/dbraw/zinc/16/06/38/823160638.db2.gz RLPWVUOHCVBTJR-MRXNPFEDSA-N 1 1 381.923 4.042 20 0 GIADMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176243527 823161646 /nfs/dbraw/zinc/16/16/46/823161646.db2.gz ROWDUJMIDPLFKN-NJYVYQBISA-N 1 1 398.572 4.075 20 0 GIADMO Cc1cc(C[N@@H+](Cc2cnc(C3CC3)nc2)CC(C)C)nc(N2CCCCC2)n1 ZINC000459334861 823163681 /nfs/dbraw/zinc/16/36/81/823163681.db2.gz FNNXBOAITVSIGG-UHFFFAOYSA-N 1 1 394.567 4.101 20 0 GIADMO Cc1cc(C[N@H+](Cc2cnc(C3CC3)nc2)CC(C)C)nc(N2CCCCC2)n1 ZINC000459334861 823163684 /nfs/dbraw/zinc/16/36/84/823163684.db2.gz FNNXBOAITVSIGG-UHFFFAOYSA-N 1 1 394.567 4.101 20 0 GIADMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000176257518 823164656 /nfs/dbraw/zinc/16/46/56/823164656.db2.gz VFPJXAZGALCZGY-HDICACEKSA-N 1 1 398.503 4.033 20 0 GIADMO C[C@H](Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000459344201 823166556 /nfs/dbraw/zinc/16/65/56/823166556.db2.gz BBRUJKODQFUTBZ-LPHOPBHVSA-N 1 1 377.488 4.303 20 0 GIADMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000121370786 823172123 /nfs/dbraw/zinc/17/21/23/823172123.db2.gz ORQGYJLDHYLVPE-RDTXWAMCSA-N 1 1 395.503 4.426 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000459350500 823168326 /nfs/dbraw/zinc/16/83/26/823168326.db2.gz FQQVCHWBQBSMRX-IAGOWNOFSA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000459350494 823168371 /nfs/dbraw/zinc/16/83/71/823168371.db2.gz FQQVCHWBQBSMRX-DLBZAZTESA-N 1 1 381.394 4.118 20 0 GIADMO Oc1cccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1Br ZINC000459361422 823171889 /nfs/dbraw/zinc/17/18/89/823171889.db2.gz GKTVILXXDQWVBG-INIZCTEOSA-N 1 1 376.294 4.193 20 0 GIADMO O=C(Nc1ccccc1N1CCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056561035 823169968 /nfs/dbraw/zinc/16/99/68/823169968.db2.gz PVQCXHKUQFKISB-UHFFFAOYSA-N 1 1 384.568 4.407 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccoc1C(F)(F)F ZINC000571367840 823172537 /nfs/dbraw/zinc/17/25/37/823172537.db2.gz ANGFFPLHXSAVES-MRXNPFEDSA-N 1 1 380.410 4.283 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1 ZINC000176304806 823177070 /nfs/dbraw/zinc/17/70/70/823177070.db2.gz NEZDVDBRTUSUES-MRXNPFEDSA-N 1 1 398.466 4.027 20 0 GIADMO COC(=O)c1ccc(COc2ccccc2C[NH+]2CC3(CCC3(F)F)C2)cc1 ZINC000571369858 823172915 /nfs/dbraw/zinc/17/29/15/823172915.db2.gz IMLWAAAMFAQOLL-UHFFFAOYSA-N 1 1 387.426 4.283 20 0 GIADMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1csc(Cl)c1 ZINC000188023936 823173351 /nfs/dbraw/zinc/17/33/51/823173351.db2.gz LUKRGZYPQQPWST-MRXNPFEDSA-N 1 1 386.908 4.297 20 0 GIADMO C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]Cc1nnc2n1CCCCC2 ZINC000459377799 823177247 /nfs/dbraw/zinc/17/72/47/823177247.db2.gz XQWKYSNOTZJTFL-YFHOEESVSA-N 1 1 388.515 4.387 20 0 GIADMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000176295467 823175249 /nfs/dbraw/zinc/17/52/49/823175249.db2.gz HIATXCJMUHQRNL-DEOSSOPVSA-N 1 1 389.499 4.160 20 0 GIADMO CCC[N@H+](CCn1cc(Cl)cn1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000459378428 823177461 /nfs/dbraw/zinc/17/74/61/823177461.db2.gz OCGKJEPBYQGJCJ-UHFFFAOYSA-N 1 1 380.279 4.152 20 0 GIADMO CCC[N@@H+](CCn1cc(Cl)cn1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000459378428 823177464 /nfs/dbraw/zinc/17/74/64/823177464.db2.gz OCGKJEPBYQGJCJ-UHFFFAOYSA-N 1 1 380.279 4.152 20 0 GIADMO CCn1nnc(C)c1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000571391916 823176515 /nfs/dbraw/zinc/17/65/15/823176515.db2.gz GDQCWOFAHWRKNY-MRXNPFEDSA-N 1 1 397.548 4.118 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2csc(-c3ccco3)n2)CC1 ZINC000121396439 823176994 /nfs/dbraw/zinc/17/69/94/823176994.db2.gz PXRXQBFLHIYENZ-UHFFFAOYSA-N 1 1 390.553 4.057 20 0 GIADMO COc1cccc2c1CCCN2C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000459386446 823179928 /nfs/dbraw/zinc/17/99/28/823179928.db2.gz ITVUXLCCQSJCQW-UHFFFAOYSA-N 1 1 397.544 4.229 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)CCCCCc3ccc(F)cc3)CC2)[nH+]1 ZINC000188066351 823181055 /nfs/dbraw/zinc/18/10/55/823181055.db2.gz DBRHCRDBOYLRGX-UHFFFAOYSA-N 1 1 383.511 4.417 20 0 GIADMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(C)n1Cc1ccco1 ZINC000176323096 823181789 /nfs/dbraw/zinc/18/17/89/823181789.db2.gz PHKQHRIZLVKFAZ-QGZVFWFLSA-N 1 1 383.517 4.265 20 0 GIADMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)c(C)n1Cc1ccco1 ZINC000176323096 823181791 /nfs/dbraw/zinc/18/17/91/823181791.db2.gz PHKQHRIZLVKFAZ-QGZVFWFLSA-N 1 1 383.517 4.265 20 0 GIADMO CCC1(c2ccccc2)CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000459395465 823182279 /nfs/dbraw/zinc/18/22/79/823182279.db2.gz VLZXYVWTSMHGTA-UHFFFAOYSA-N 1 1 395.572 4.431 20 0 GIADMO COCc1c(Br)cccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176346361 823188543 /nfs/dbraw/zinc/18/85/43/823188543.db2.gz NHJALRMRZUSPNY-CQSZACIVSA-N 1 1 395.341 4.189 20 0 GIADMO C[C@@H](CCCc1cccnc1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000459400986 823184233 /nfs/dbraw/zinc/18/42/33/823184233.db2.gz CWXYCHGTASOUOL-OALUTQOASA-N 1 1 396.535 4.008 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CC[N@H+]1C ZINC000188091987 823185090 /nfs/dbraw/zinc/18/50/90/823185090.db2.gz DKQNZVHYBNPNFY-FRGLQRNOSA-N 1 1 377.532 4.465 20 0 GIADMO CC[NH+](CC)CCOc1ccc(CNCc2ccc(Br)o2)cc1 ZINC000190778008 823607559 /nfs/dbraw/zinc/60/75/59/823607559.db2.gz KSMJRLJDPNXOAZ-UHFFFAOYSA-N 1 1 381.314 4.053 20 0 GIADMO CCOC[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000176335269 823185302 /nfs/dbraw/zinc/18/53/02/823185302.db2.gz WFHGURHXIXIUFV-GCJKJVERSA-N 1 1 382.504 4.124 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000176336130 823185583 /nfs/dbraw/zinc/18/55/83/823185583.db2.gz YLDSJJFSKHYXFO-PKOBYXMFSA-N 1 1 386.565 4.066 20 0 GIADMO Oc1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1Br ZINC000459408424 823186485 /nfs/dbraw/zinc/18/64/85/823186485.db2.gz GFVJVHITTOCZTE-UHFFFAOYSA-N 1 1 380.257 4.089 20 0 GIADMO CCN(C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000459409233 823186770 /nfs/dbraw/zinc/18/67/70/823186770.db2.gz MWTSQUQLAYNREF-QGZVFWFLSA-N 1 1 383.492 4.147 20 0 GIADMO CCOc1cc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc(Cl)c1O ZINC000459413934 823187619 /nfs/dbraw/zinc/18/76/19/823187619.db2.gz YEGSFLQFTMYVBR-SFHVURJKSA-N 1 1 388.939 4.099 20 0 GIADMO C[C@H](c1ccc(NC(=O)N(C)[C@@H](C)Cc2cccc(F)c2)cc1)[NH+]1CCOCC1 ZINC000459417856 823188385 /nfs/dbraw/zinc/18/83/85/823188385.db2.gz VZABKAOTIBOPLW-ZWKOTPCHSA-N 1 1 399.510 4.314 20 0 GIADMO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3nc(C(C)C)nc32)[C@H]1Sc1ccccc1 ZINC000459439064 823192411 /nfs/dbraw/zinc/19/24/11/823192411.db2.gz VLKKNSKTSWLMKU-WJFTUGDTSA-N 1 1 386.565 4.164 20 0 GIADMO COc1ccc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c2cccnc12 ZINC000571506733 823193789 /nfs/dbraw/zinc/19/37/89/823193789.db2.gz FNBLFEXKWZSAPJ-UHFFFAOYSA-N 1 1 392.459 4.022 20 0 GIADMO C[C@@H]1[N@@H+](CC2=Cc3cc(Br)ccc3OC2)CCC12CCOCC2 ZINC000571527148 823195832 /nfs/dbraw/zinc/19/58/32/823195832.db2.gz GUPJRPKUAIKLEI-AWEZNQCLSA-N 1 1 378.310 4.116 20 0 GIADMO CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000121495810 823194474 /nfs/dbraw/zinc/19/44/74/823194474.db2.gz PYRSXBKAEUUDGI-QGZVFWFLSA-N 1 1 375.472 4.080 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC000121496168 823194818 /nfs/dbraw/zinc/19/48/18/823194818.db2.gz GENNZFZAUJSEAF-QGZVFWFLSA-N 1 1 394.544 4.015 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188161896 823196359 /nfs/dbraw/zinc/19/63/59/823196359.db2.gz MNIOSWKAHZMZIT-UHFFFAOYSA-N 1 1 379.426 4.263 20 0 GIADMO COc1ccccc1[C@H](C)CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000121506128 823196612 /nfs/dbraw/zinc/19/66/12/823196612.db2.gz RPRAZPJHCALBRK-GUDVDZBRSA-N 1 1 396.531 4.437 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000176393219 823197613 /nfs/dbraw/zinc/19/76/13/823197613.db2.gz KCHGJYJWWSDNTN-IYBDPMFKSA-N 1 1 379.932 4.083 20 0 GIADMO COC(=O)c1cccc(C[NH2+][C@@H](COc2c(C)cccc2C)c2ccccc2)n1 ZINC000571549027 823199544 /nfs/dbraw/zinc/19/95/44/823199544.db2.gz QTPYWDCBWBBCMJ-QFIPXVFZSA-N 1 1 390.483 4.395 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCOc2ccccc2C(F)(F)F)c2ncc[nH]2)cc1 ZINC000188185331 823200050 /nfs/dbraw/zinc/20/00/50/823200050.db2.gz NHOAMRLYYOFARS-KRWDZBQOSA-N 1 1 379.357 4.326 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000459476237 823200581 /nfs/dbraw/zinc/20/05/81/823200581.db2.gz HGIDTZWHFZODMS-OAHLLOKOSA-N 1 1 375.538 4.135 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000459476237 823200584 /nfs/dbraw/zinc/20/05/84/823200584.db2.gz HGIDTZWHFZODMS-OAHLLOKOSA-N 1 1 375.538 4.135 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1)CC(F)(F)F ZINC000176408541 823202009 /nfs/dbraw/zinc/20/20/09/823202009.db2.gz FVZUWBQAOWOEDP-OAHLLOKOSA-N 1 1 398.391 4.334 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000571572998 823202435 /nfs/dbraw/zinc/20/24/35/823202435.db2.gz JWUCQVOKETULGA-FXAWDEMLSA-N 1 1 383.540 4.190 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCc2ncc(C(C)(C)C)o2)C[C@@H](C)O1 ZINC000188211839 823203947 /nfs/dbraw/zinc/20/39/47/823203947.db2.gz SHVYCVHOQWRWOB-IAGOWNOFSA-N 1 1 399.535 4.153 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2)cc1 ZINC000176420603 823204596 /nfs/dbraw/zinc/20/45/96/823204596.db2.gz OGIXFGVCDAQVQJ-YQQQUEKLSA-N 1 1 399.560 4.238 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)CCc1ccncc1 ZINC000121557533 823205346 /nfs/dbraw/zinc/20/53/46/823205346.db2.gz QXQRLDYHJKUIJL-LBPRGKRZSA-N 1 1 385.817 4.255 20 0 GIADMO COc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571604796 823206829 /nfs/dbraw/zinc/20/68/29/823206829.db2.gz ZXFQRIDLJXXQBG-MWTRTKDXSA-N 1 1 391.471 4.276 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)CCCCCc3ccc(F)cc3)CC2)[nH+]c1 ZINC000188221674 823205618 /nfs/dbraw/zinc/20/56/18/823205618.db2.gz ZQXYPKMIMMTLMZ-UHFFFAOYSA-N 1 1 383.511 4.417 20 0 GIADMO COCc1cc(CNc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)no1 ZINC000459481449 823201476 /nfs/dbraw/zinc/20/14/76/823201476.db2.gz KYNFEYVEILSQTI-OAQYLSRUSA-N 1 1 387.524 4.213 20 0 GIADMO CC[C@H]([NH2+][C@@H]1CCCc2cn(CCOC)nc21)c1cc(Cl)ccc1OC ZINC000571606437 823207627 /nfs/dbraw/zinc/20/76/27/823207627.db2.gz JUAKXGGQSSUYIQ-ZWKOTPCHSA-N 1 1 377.916 4.310 20 0 GIADMO CCOc1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc(Cl)c1O ZINC000459513519 823208619 /nfs/dbraw/zinc/20/86/19/823208619.db2.gz BUMPXLTZJNNCNV-LJQANCHMSA-N 1 1 389.858 4.196 20 0 GIADMO CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176455726 823211334 /nfs/dbraw/zinc/21/13/34/823211334.db2.gz PGPFVIFFPBUITK-MRXNPFEDSA-N 1 1 394.943 4.348 20 0 GIADMO C[C@@H](CNC(=O)Nc1cccc(-c2nccs2)c1)[N@@H+]1CCc2sccc2C1 ZINC000056777417 823211802 /nfs/dbraw/zinc/21/18/02/823211802.db2.gz YYWHWTXZHVVNMW-AWEZNQCLSA-N 1 1 398.557 4.440 20 0 GIADMO C[C@@H](CNC(=O)Nc1cccc(-c2nccs2)c1)[N@H+]1CCc2sccc2C1 ZINC000056777417 823211807 /nfs/dbraw/zinc/21/18/07/823211807.db2.gz YYWHWTXZHVVNMW-AWEZNQCLSA-N 1 1 398.557 4.440 20 0 GIADMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459527015 823211972 /nfs/dbraw/zinc/21/19/72/823211972.db2.gz WNVQIDNIPMWJIX-QWHCGFSZSA-N 1 1 383.439 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ZINC000571645866 823213921 /nfs/dbraw/zinc/21/39/21/823213921.db2.gz JPPJCJJOXQLRBY-UHFFFAOYSA-N 1 1 390.911 4.211 20 0 GIADMO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(Cl)c2cccnc12)C1CCOCC1 ZINC000571645866 823213925 /nfs/dbraw/zinc/21/39/25/823213925.db2.gz JPPJCJJOXQLRBY-UHFFFAOYSA-N 1 1 390.911 4.211 20 0 GIADMO Cc1noc([C@@H]2CC[N@@H+](C/C=C\c3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000459538186 823215008 /nfs/dbraw/zinc/21/50/08/823215008.db2.gz SKTXJDCQIYZELB-HUCIYCNJSA-N 1 1 375.472 4.460 20 0 GIADMO CCO[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)[C@H]1Sc1ccccc1 ZINC000459537656 823215077 /nfs/dbraw/zinc/21/50/77/823215077.db2.gz SBOKJJBYOAORLL-VNXMGFANSA-N 1 1 384.545 4.182 20 0 GIADMO Clc1cccc(-c2nnc(CN3CCC(CCC[NH+]4CCCC4)CC3)o2)c1 ZINC000121615209 823216452 /nfs/dbraw/zinc/21/64/52/823216452.db2.gz UXJQFGUDOKSPFB-UHFFFAOYSA-N 1 1 388.943 4.478 20 0 GIADMO CCOc1cc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc(Cl)c1O ZINC000459544728 823216504 /nfs/dbraw/zinc/21/65/04/823216504.db2.gz 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CC(C)(C)[N@H+]1CC[C@@](F)(c2nc(Cc3ccccc3Br)no2)C1 ZINC000571695253 823220193 /nfs/dbraw/zinc/22/01/93/823220193.db2.gz TXTCYJWCEXMJRU-KRWDZBQOSA-N 1 1 382.277 4.092 20 0 GIADMO O=C(C[C@@H]1CCCc2ccccc21)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000409451640 823221538 /nfs/dbraw/zinc/22/15/38/823221538.db2.gz CKPJQKFCSJMGPX-NRFANRHFSA-N 1 1 378.516 4.010 20 0 GIADMO Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000121645510 823221639 /nfs/dbraw/zinc/22/16/39/823221639.db2.gz WLNIURLIPOHLFQ-LJQANCHMSA-N 1 1 377.410 4.092 20 0 GIADMO C[C@@H](C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H](C)CO)c1ccccc1 ZINC000571710700 823222700 /nfs/dbraw/zinc/22/27/00/823222700.db2.gz DIPVMJMUPPQOMQ-GJZGRUSLSA-N 1 1 395.330 4.418 20 0 GIADMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cnn(-c3ccc(C)cc3)c1C(C)C)CC2 ZINC000571688975 823219228 /nfs/dbraw/zinc/21/92/28/823219228.db2.gz MWMFFOXIRVVZEG-KRWDZBQOSA-N 1 1 377.492 4.010 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCOc2ccc(C)c(C)c2)cc1F ZINC000409458231 823223972 /nfs/dbraw/zinc/22/39/72/823223972.db2.gz RUESJUFBOZHIEM-UHFFFAOYSA-N 1 1 381.451 4.022 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000571718430 823224046 /nfs/dbraw/zinc/22/40/46/823224046.db2.gz HBJNGZVOAIFUCH-QFIPXVFZSA-N 1 1 385.504 4.245 20 0 GIADMO C[C@@H](CNC(=O)c1[nH]c2ccc(F)cc2c1Cl)[N@@H+]1CCc2sccc2C1 ZINC000056888036 823228044 /nfs/dbraw/zinc/22/80/44/823228044.db2.gz UOWBMKWIYNUVLW-NSHDSACASA-N 1 1 391.899 4.199 20 0 GIADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1C(C)(C)C ZINC000188350237 823224272 /nfs/dbraw/zinc/22/42/72/823224272.db2.gz HTUFWLRFCGKFOP-DEOSSOPVSA-N 1 1 395.547 4.085 20 0 GIADMO O=C(N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1(C(F)F)CCCC1 ZINC000571718984 823224218 /nfs/dbraw/zinc/22/42/18/823224218.db2.gz NDRIELYHVNDOEJ-RTBURBONSA-N 1 1 376.491 4.325 20 0 GIADMO C[C@@H](CNC(=O)c1[nH]c2ccc(F)cc2c1Cl)[N@H+]1CCc2sccc2C1 ZINC000056888036 823228047 /nfs/dbraw/zinc/22/80/47/823228047.db2.gz UOWBMKWIYNUVLW-NSHDSACASA-N 1 1 391.899 4.199 20 0 GIADMO CC(C)C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1cnn(C)c1 ZINC000459594651 823226745 /nfs/dbraw/zinc/22/67/45/823226745.db2.gz KVUUNOIDPVNGFF-UHFFFAOYSA-N 1 1 383.323 4.214 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1)Nc1cccc(F)c1 ZINC000459599327 823227352 /nfs/dbraw/zinc/22/73/52/823227352.db2.gz YEAFNZFNCBJPNA-QGZVFWFLSA-N 1 1 392.272 4.149 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1)Nc1cccc(F)c1 ZINC000459599327 823227361 /nfs/dbraw/zinc/22/73/61/823227361.db2.gz YEAFNZFNCBJPNA-QGZVFWFLSA-N 1 1 392.272 4.149 20 0 GIADMO COc1ccc2oc([C@@H](C)NC(=O)NCCCCn3cc[nH+]c3C)c(C)c2c1 ZINC000176518498 823227470 /nfs/dbraw/zinc/22/74/70/823227470.db2.gz CQVPPWFWLRHVCJ-OAHLLOKOSA-N 1 1 384.480 4.095 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCC2 ZINC000459630362 823232720 /nfs/dbraw/zinc/23/27/20/823232720.db2.gz GEYYWLJUCYPFQJ-WDEREUQCSA-N 1 1 383.439 4.328 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409478596 823230206 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398.469 4.430 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459632347 823233306 /nfs/dbraw/zinc/23/33/06/823233306.db2.gz CNTQSIXSUAHATB-SFHVURJKSA-N 1 1 398.469 4.430 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409498149 823234663 /nfs/dbraw/zinc/23/46/63/823234663.db2.gz DJPDJYCQZVVDQX-CALCHBBNSA-N 1 1 384.568 4.004 20 0 GIADMO Cn1nccc1-c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646458 823237608 /nfs/dbraw/zinc/23/76/08/823237608.db2.gz IHFZWMMNSFDJIS-LJQANCHMSA-N 1 1 393.453 4.268 20 0 GIADMO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000176587092 823242442 /nfs/dbraw/zinc/24/24/42/823242442.db2.gz YOCJRWPZLUQGJS-LSDHHAIUSA-N 1 1 391.968 4.169 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459651879 823239676 /nfs/dbraw/zinc/23/96/76/823239676.db2.gz ZPQXALVZJLHHLS-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459651879 823239683 /nfs/dbraw/zinc/23/96/83/823239683.db2.gz ZPQXALVZJLHHLS-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)CC12CCOCC2 ZINC000459653645 823240474 /nfs/dbraw/zinc/24/04/74/823240474.db2.gz SFTGVWLKKCUMNJ-GOSISDBHSA-N 1 1 379.426 4.053 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@H+](Cc2cnc3ccc(Cl)cn23)CC12CCOCC2 ZINC000459659343 823242771 /nfs/dbraw/zinc/24/27/71/823242771.db2.gz ZIOOXTRLDCSKOE-OAHLLOKOSA-N 1 1 387.833 4.169 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnc3ccc(Cl)cn23)CC12CCOCC2 ZINC000459659343 823242774 /nfs/dbraw/zinc/24/27/74/823242774.db2.gz ZIOOXTRLDCSKOE-OAHLLOKOSA-N 1 1 387.833 4.169 20 0 GIADMO COC(=O)c1ccc(COc2ccccc2C[NH2+]Cc2ccc(C)c(C)n2)cc1 ZINC000459657833 823242102 /nfs/dbraw/zinc/24/21/02/823242102.db2.gz CALNARGKHFLFIS-UHFFFAOYSA-N 1 1 390.483 4.354 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000121747927 823242273 /nfs/dbraw/zinc/24/22/73/823242273.db2.gz NOAIHYAACARRLK-OAHLLOKOSA-N 1 1 390.409 4.136 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459662075 823244170 /nfs/dbraw/zinc/24/41/70/823244170.db2.gz MZQRJHHZHQTGCN-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459662075 823244175 /nfs/dbraw/zinc/24/41/75/823244175.db2.gz MZQRJHHZHQTGCN-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2ccc3cncn3c2)c1 ZINC000459662206 823244313 /nfs/dbraw/zinc/24/43/13/823244313.db2.gz SSZZMUYQELNKKE-UHFFFAOYSA-N 1 1 389.503 4.251 20 0 GIADMO CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459665603 823245258 /nfs/dbraw/zinc/24/52/58/823245258.db2.gz QRQUNMVGHSXKNC-KBPBESRZSA-N 1 1 375.435 4.154 20 0 GIADMO CCCCc1noc([C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459665603 823245264 /nfs/dbraw/zinc/24/52/64/823245264.db2.gz QRQUNMVGHSXKNC-KBPBESRZSA-N 1 1 375.435 4.154 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000188469640 823245676 /nfs/dbraw/zinc/24/56/76/823245676.db2.gz RQPZOZDXMGDIBD-FQEVSTJZSA-N 1 1 380.507 4.129 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CC(F)(c3cccc(Cl)c3)C2)CC1 ZINC000571858874 823247097 /nfs/dbraw/zinc/24/70/97/823247097.db2.gz QSTDHIFMZAQMJG-UHFFFAOYSA-N 1 1 395.950 4.429 20 0 GIADMO COc1cc2nc(C[N@@H+](C)[C@H]3CCC[C@H]3c3ccccc3)[nH]c(=O)c2cc1OC ZINC000459671488 823247222 /nfs/dbraw/zinc/24/72/22/823247222.db2.gz GTBQDSPTXNPRAB-LPHOPBHVSA-N 1 1 393.487 4.121 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2nccn2-c2ccccc2)CC12CCOCC2 ZINC000459671347 823247265 /nfs/dbraw/zinc/24/72/65/823247265.db2.gz WPPYVMUMFTZUMZ-KRWDZBQOSA-N 1 1 379.426 4.053 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)CC12CCOCC2 ZINC000459671347 823247273 /nfs/dbraw/zinc/24/72/73/823247273.db2.gz WPPYVMUMFTZUMZ-KRWDZBQOSA-N 1 1 379.426 4.053 20 0 GIADMO CCOc1cc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)ccc1OCC(F)(F)F ZINC000459677411 823248711 /nfs/dbraw/zinc/24/87/11/823248711.db2.gz OSLSKDHMBAYVSS-JKSUJKDBSA-N 1 1 385.426 4.027 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nnc(-c3ccc[nH]3)n2C2CC2)CC1 ZINC000571889213 823250106 /nfs/dbraw/zinc/25/01/06/823250106.db2.gz HQXLNLHELKKHDM-KRWDZBQOSA-N 1 1 382.556 4.089 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000176617809 823250204 /nfs/dbraw/zinc/25/02/04/823250204.db2.gz XOFWHBUAXGKDIE-RDJZCZTQSA-N 1 1 388.581 4.237 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccncc1 ZINC000571889831 823250368 /nfs/dbraw/zinc/25/03/68/823250368.db2.gz GCAIPBYVJVSHKJ-NRFANRHFSA-N 1 1 383.584 4.136 20 0 GIADMO FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000121785083 823250924 /nfs/dbraw/zinc/25/09/24/823250924.db2.gz SGXJXOYWRZACIE-HNNXBMFYSA-N 1 1 376.382 4.008 20 0 GIADMO CCCOc1ccc(-c2nc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cs2)cc1 ZINC000409574775 823252641 /nfs/dbraw/zinc/25/26/41/823252641.db2.gz JGGJUCPLJRLTBB-GOSISDBHSA-N 1 1 399.516 4.225 20 0 GIADMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1c(O)cc(Br)cc1Cl ZINC000571900818 823251293 /nfs/dbraw/zinc/25/12/93/823251293.db2.gz XBIVEJVGESVKPD-NSHDSACASA-N 1 1 375.694 4.011 20 0 GIADMO CSc1ccccc1C[C@@H](C)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000188500375 823251606 /nfs/dbraw/zinc/25/16/06/823251606.db2.gz WPFMFSQBQRBOAE-GOSISDBHSA-N 1 1 397.588 4.116 20 0 GIADMO CCOC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000459693976 823252229 /nfs/dbraw/zinc/25/22/29/823252229.db2.gz IGJWULJKZNIPMQ-QGZVFWFLSA-N 1 1 382.464 4.091 20 0 GIADMO CCOC[C@H]1CCCC[N@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000459693976 823252232 /nfs/dbraw/zinc/25/22/32/823252232.db2.gz IGJWULJKZNIPMQ-QGZVFWFLSA-N 1 1 382.464 4.091 20 0 GIADMO CCOC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000459700069 823253293 /nfs/dbraw/zinc/25/32/93/823253293.db2.gz DJQNTCAESICCCG-KRWDZBQOSA-N 1 1 376.522 4.218 20 0 GIADMO CCOC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000459700069 823253297 /nfs/dbraw/zinc/25/32/97/823253297.db2.gz DJQNTCAESICCCG-KRWDZBQOSA-N 1 1 376.522 4.218 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC(F)(F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000409597507 823257729 /nfs/dbraw/zinc/25/77/29/823257729.db2.gz BBLZHWGOAVNTOS-JQFCIGGWSA-N 1 1 385.886 4.210 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC(F)(F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000409597507 823257736 /nfs/dbraw/zinc/25/77/36/823257736.db2.gz BBLZHWGOAVNTOS-JQFCIGGWSA-N 1 1 385.886 4.210 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000188523808 823256081 /nfs/dbraw/zinc/25/60/81/823256081.db2.gz QERYIDRPKCMQGN-GFCCVEGCSA-N 1 1 399.844 4.348 20 0 GIADMO c1c(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c(-c2ccccn2)nn1C1CCCC1 ZINC000459721563 823256561 /nfs/dbraw/zinc/25/65/61/823256561.db2.gz ORDMAZUZQJKRGA-TZIWHRDSSA-N 1 1 378.520 4.061 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1 ZINC000121814979 823256644 /nfs/dbraw/zinc/25/66/44/823256644.db2.gz UMWVKTONGZBDEB-HNNXBMFYSA-N 1 1 393.516 4.227 20 0 GIADMO Cc1cccc2nc(C3CCN(C(=O)[C@H]4CC[N@H+](C5CCCCC5)C4)CC3)oc21 ZINC000188530740 823258118 /nfs/dbraw/zinc/25/81/18/823258118.db2.gz GWLZZIVUFZWEAM-IBGZPJMESA-N 1 1 395.547 4.497 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000571947347 823258507 /nfs/dbraw/zinc/25/85/07/823258507.db2.gz LELZIOQVGMXCGJ-QFIPXVFZSA-N 1 1 390.531 4.088 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N([C@@H](C)c2ccco2)C2CC2)cc1F ZINC000121828728 823258967 /nfs/dbraw/zinc/25/89/67/823258967.db2.gz OAODGAVDXSCDTD-AWEZNQCLSA-N 1 1 382.439 4.348 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409603995 823259364 /nfs/dbraw/zinc/25/93/64/823259364.db2.gz LWJYNNGWAUXMPU-HSZRJFAPSA-N 1 1 378.560 4.325 20 0 GIADMO CCc1nnc([C@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459746950 823259485 /nfs/dbraw/zinc/25/94/85/823259485.db2.gz GJQKOPYDIPYCJC-ORYQWCPZSA-N 1 1 394.494 4.090 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459746491 823259542 /nfs/dbraw/zinc/25/95/42/823259542.db2.gz CAVFCFYMRABUPM-MAUKXSAKSA-N 1 1 385.533 4.202 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1CCc1nc(-c2ccccc2)no1)c1ccco1 ZINC000121835595 823260009 /nfs/dbraw/zinc/26/00/09/823260009.db2.gz DHGKUJKSNHTKER-MOPGFXCFSA-N 1 1 381.476 4.240 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000459756598 823260928 /nfs/dbraw/zinc/26/09/28/823260928.db2.gz HVVNYKOBAISOMM-MRXNPFEDSA-N 1 1 385.533 4.155 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000459756598 823260934 /nfs/dbraw/zinc/26/09/34/823260934.db2.gz HVVNYKOBAISOMM-MRXNPFEDSA-N 1 1 385.533 4.155 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000459756597 823261029 /nfs/dbraw/zinc/26/10/29/823261029.db2.gz HVVNYKOBAISOMM-INIZCTEOSA-N 1 1 385.533 4.155 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000459756597 823261032 /nfs/dbraw/zinc/26/10/32/823261032.db2.gz HVVNYKOBAISOMM-INIZCTEOSA-N 1 1 385.533 4.155 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)NCCCCC3CCCC3)CC2)oc1C ZINC000176663823 823261142 /nfs/dbraw/zinc/26/11/42/823261142.db2.gz IQIZSDGQKDSTLY-UHFFFAOYSA-N 1 1 390.572 4.163 20 0 GIADMO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000409613062 823261778 /nfs/dbraw/zinc/26/17/78/823261778.db2.gz UTFHEVIULOQVRD-RLLQIKCJSA-N 1 1 393.522 4.412 20 0 GIADMO COc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459767075 823262156 /nfs/dbraw/zinc/26/21/56/823262156.db2.gz MNDHVYRGCXAQPQ-SFHVURJKSA-N 1 1 385.533 4.155 20 0 GIADMO CCc1sc(-c2nnc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)o2)cc1C ZINC000459800980 823265971 /nfs/dbraw/zinc/26/59/71/823265971.db2.gz GFZSMUHAQPAAIE-CYBMUJFWSA-N 1 1 379.526 4.079 20 0 GIADMO CCc1sc(-c2nnc(C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)o2)cc1C ZINC000459800980 823265974 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O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1nc(CCc2ccccc2)no1)c1ccco1 ZINC000121873711 823267630 /nfs/dbraw/zinc/26/76/30/823267630.db2.gz BFFQZDGVMMPCFP-PMACEKPBSA-N 1 1 395.503 4.316 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1nc(CCc2ccccc2)no1)c1ccco1 ZINC000121873711 823267636 /nfs/dbraw/zinc/26/76/36/823267636.db2.gz BFFQZDGVMMPCFP-PMACEKPBSA-N 1 1 395.503 4.316 20 0 GIADMO O=C(NC[C@@H]1CCCC(F)(F)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000409637800 823269748 /nfs/dbraw/zinc/26/97/48/823269748.db2.gz KWYITGUASRFFNS-XUBOLADHSA-N 1 1 391.506 4.307 20 0 GIADMO CCOc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004885997 817539538 /nfs/dbraw/zinc/53/95/38/817539538.db2.gz OBONHZQXIXBDTQ-SEJPIABJSA-N 1 1 379.504 4.402 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3[nH]c4ccccc4c3Cl)cc2)CC1 ZINC000057250298 823271215 /nfs/dbraw/zinc/27/12/15/823271215.db2.gz AIOBSVBBCZLFKC-UHFFFAOYSA-N 1 1 396.922 4.211 20 0 GIADMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 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FMDVEOJFMIRVQF-LJQANCHMSA-N 1 1 398.576 4.473 20 0 GIADMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cn(-c4ccccc4)nc3C(C)C)C2)n1 ZINC000121909569 823275078 /nfs/dbraw/zinc/27/50/78/823275078.db2.gz NLDVGKLCVBUTEX-HXUWFJFHSA-N 1 1 392.551 4.116 20 0 GIADMO C[C@H](c1ccco1)N(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000121913497 823276019 /nfs/dbraw/zinc/27/60/19/823276019.db2.gz USXWJTUVGYRATP-IAGOWNOFSA-N 1 1 387.549 4.488 20 0 GIADMO COc1c(Cl)cccc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000572082182 823280116 /nfs/dbraw/zinc/28/01/16/823280116.db2.gz YTWGQOXYWJCLAW-MSOLQXFVSA-N 1 1 399.922 4.334 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@H]3c4cccc(F)c4CC[C@H]3C)CC2)[nH+]c1 ZINC000176733511 823280536 /nfs/dbraw/zinc/28/05/36/823280536.db2.gz ILZLKNYVQSFDNA-OPAMFIHVSA-N 1 1 381.495 4.185 20 0 GIADMO CC(C)c1cc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)nn1C(C)(C)C ZINC000460027234 823280700 /nfs/dbraw/zinc/28/07/00/823280700.db2.gz PJDVDDWRWHJGDK-GOSISDBHSA-N 1 1 380.536 4.386 20 0 GIADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)nc(C(F)F)n3C)C1 ZINC000409685347 823282626 /nfs/dbraw/zinc/28/26/26/823282626.db2.gz KOCYUEIIBJPPCJ-CQSZACIVSA-N 1 1 392.494 4.141 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000006995720 817737224 /nfs/dbraw/zinc/73/72/24/817737224.db2.gz ZYAKJLOJLKCEJQ-UHFFFAOYSA-N 1 1 376.504 4.176 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000006995720 817737228 /nfs/dbraw/zinc/73/72/28/817737228.db2.gz ZYAKJLOJLKCEJQ-UHFFFAOYSA-N 1 1 376.504 4.176 20 0 GIADMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@H](O)CC(F)(F)F ZINC000188677388 823284672 /nfs/dbraw/zinc/28/46/72/823284672.db2.gz SBLACCHWTLFCSH-MRXNPFEDSA-N 1 1 395.450 4.346 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000188676436 823284748 /nfs/dbraw/zinc/28/47/48/823284748.db2.gz LZJZGPNAZVASDV-UHFFFAOYSA-N 1 1 382.521 4.094 20 0 GIADMO CC(C)(O)C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000122002304 823291267 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O=C(C1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1)N1CCCC1 ZINC000012332957 818155221 /nfs/dbraw/zinc/15/52/21/818155221.db2.gz MSGSUVRGYLMOSK-UHFFFAOYSA-N 1 1 389.952 4.298 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000012332530 818155296 /nfs/dbraw/zinc/15/52/96/818155296.db2.gz SNZRVPLLKATXOR-LJQANCHMSA-N 1 1 382.552 4.017 20 0 GIADMO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000122196334 823320354 /nfs/dbraw/zinc/32/03/54/823320354.db2.gz JTSGXRDRGRMYIS-SJLPKXTDSA-N 1 1 377.916 4.043 20 0 GIADMO CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000122196334 823320361 /nfs/dbraw/zinc/32/03/61/823320361.db2.gz JTSGXRDRGRMYIS-SJLPKXTDSA-N 1 1 377.916 4.043 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2cccnc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000188848953 823317143 /nfs/dbraw/zinc/31/71/43/823317143.db2.gz FZZVAYVYQTYIPI-DOTOQJQBSA-N 1 1 391.437 4.226 20 0 GIADMO COc1ccc(Br)cc1CNC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057681766 823320915 /nfs/dbraw/zinc/32/09/15/823320915.db2.gz NZKMVGPLQSDSGQ-IBGZPJMESA-N 1 1 389.337 4.384 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c(C)c(C)oc2-c2ccccc2)[C@H](C)C1 ZINC000188856489 823317827 /nfs/dbraw/zinc/31/78/27/823317827.db2.gz HXLBYQJTOSXEKC-DYESRHJHSA-N 1 1 398.547 4.430 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000012807486 818182644 /nfs/dbraw/zinc/18/26/44/818182644.db2.gz DXWIWENOBRQHOL-QFIPXVFZSA-N 1 1 377.484 4.234 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000188866772 823319761 /nfs/dbraw/zinc/31/97/61/823319761.db2.gz VMUQVGPOIPKMMP-YJBOKZPZSA-N 1 1 375.538 4.056 20 0 GIADMO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013487261 818213842 /nfs/dbraw/zinc/21/38/42/818213842.db2.gz NHYDRWFNASRSEN-UHFFFAOYSA-N 1 1 399.494 4.333 20 0 GIADMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCCCN2C(=O)c3ccccc3C2=O)s1 ZINC000122218808 823323191 /nfs/dbraw/zinc/32/31/91/823323191.db2.gz OOVUUGIIRQDRMM-HNNXBMFYSA-N 1 1 385.533 4.083 20 0 GIADMO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014729238 818262782 /nfs/dbraw/zinc/26/27/82/818262782.db2.gz ZNSFELQTVGJDRJ-SELVFMLMSA-N 1 1 394.559 4.055 20 0 GIADMO C[C@@H](CNC(=O)c1ccccc1CSc1nc2ccccc2o1)[N@@H+](C)C1CC1 ZINC000057711315 823323967 /nfs/dbraw/zinc/32/39/67/823323967.db2.gz PHTUCNQBWNAMDE-HNNXBMFYSA-N 1 1 395.528 4.333 20 0 GIADMO COc1ccccc1C[C@H](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000409847362 823324129 /nfs/dbraw/zinc/32/41/29/823324129.db2.gz DOPJOJGBKDLYRK-NNMXDRDESA-N 1 1 380.532 4.216 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000409848245 823324876 /nfs/dbraw/zinc/32/48/76/823324876.db2.gz ISBKGCOCGYQZGQ-XQVPTLPVSA-N 1 1 378.516 4.458 20 0 GIADMO O[C@H](COCc1cccs1)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176922937 823325080 /nfs/dbraw/zinc/32/50/80/823325080.db2.gz MUCVKJCCUGZMON-AOIWGVFYSA-N 1 1 395.590 4.055 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000409849027 823325106 /nfs/dbraw/zinc/32/51/06/823325106.db2.gz LUVLLQCADNDNAP-HNAYVOBHSA-N 1 1 376.422 4.200 20 0 GIADMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)c1C ZINC000015105678 818290910 /nfs/dbraw/zinc/29/09/10/818290910.db2.gz YYAGRODEGSGZCP-LJQANCHMSA-N 1 1 398.503 4.227 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)C(Cc1ccccc1)Cc1ccccc1 ZINC000409853687 823327167 /nfs/dbraw/zinc/32/71/67/823327167.db2.gz OWIQEBIAGWTWAU-UHFFFAOYSA-N 1 1 375.516 4.142 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1OC ZINC000015298105 818308242 /nfs/dbraw/zinc/30/82/42/818308242.db2.gz GIPWBWKQKBIJJM-GOSISDBHSA-N 1 1 398.547 4.212 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1OC ZINC000015298105 818308249 /nfs/dbraw/zinc/30/82/49/818308249.db2.gz GIPWBWKQKBIJJM-GOSISDBHSA-N 1 1 398.547 4.212 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000176936294 823328660 /nfs/dbraw/zinc/32/86/60/823328660.db2.gz KVLQSJKNZPKRPF-MRXNPFEDSA-N 1 1 381.505 4.375 20 0 GIADMO C[C@H](c1ccc(NC(=O)NCc2ccc(Cl)cc2F)cc1)[NH+]1CCOCC1 ZINC000188922281 823328812 /nfs/dbraw/zinc/32/88/12/823328812.db2.gz BRCRXDZJXJNCFO-CQSZACIVSA-N 1 1 391.874 4.194 20 0 GIADMO CCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1)c1nc2ccccc2s1 ZINC000015452739 818327061 /nfs/dbraw/zinc/32/70/61/818327061.db2.gz TVJFOYPMOKXQNZ-IBGZPJMESA-N 1 1 395.528 4.495 20 0 GIADMO CCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1)c1nc2ccccc2s1 ZINC000015452739 818327067 /nfs/dbraw/zinc/32/70/67/818327067.db2.gz TVJFOYPMOKXQNZ-IBGZPJMESA-N 1 1 395.528 4.495 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000015489227 818328938 /nfs/dbraw/zinc/32/89/38/818328938.db2.gz IMCGWYUCCSHTAJ-GFCCVEGCSA-N 1 1 397.302 4.470 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000015489227 818328942 /nfs/dbraw/zinc/32/89/42/818328942.db2.gz IMCGWYUCCSHTAJ-GFCCVEGCSA-N 1 1 397.302 4.470 20 0 GIADMO CN(C)C(=O)Cc1nc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)cs1 ZINC000122259119 823329004 /nfs/dbraw/zinc/32/90/04/823329004.db2.gz FSRCVTYWOGNSKJ-SJFMBGHLSA-N 1 1 383.561 4.232 20 0 GIADMO CN(C)C(=O)Cc1nc(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)cs1 ZINC000122259119 823329010 /nfs/dbraw/zinc/32/90/10/823329010.db2.gz FSRCVTYWOGNSKJ-SJFMBGHLSA-N 1 1 383.561 4.232 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000188924863 823329105 /nfs/dbraw/zinc/32/91/05/823329105.db2.gz KRQYMFLOFAIWLA-UHFFFAOYSA-N 1 1 395.507 4.011 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)o1 ZINC000409872636 823332092 /nfs/dbraw/zinc/33/20/92/823332092.db2.gz BMTPXSRFUBDRPL-MBPVOVBZSA-N 1 1 392.543 4.460 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)o1 ZINC000409872641 823332209 /nfs/dbraw/zinc/33/22/09/823332209.db2.gz BMTPXSRFUBDRPL-UMSONDCASA-N 1 1 392.543 4.460 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)[C@H](C)C1 ZINC000122275553 823331272 /nfs/dbraw/zinc/33/12/72/823331272.db2.gz QADKETPTBUUIEN-DENIHFKCSA-N 1 1 395.547 4.080 20 0 GIADMO CN(C)Cc1ccnc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)c1 ZINC000176946787 823331428 /nfs/dbraw/zinc/33/14/28/823331428.db2.gz VQTSIRLUDPACQD-UHFFFAOYSA-N 1 1 388.515 4.028 20 0 GIADMO CN(C)Cc1ccnc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c1 ZINC000176946787 823331434 /nfs/dbraw/zinc/33/14/34/823331434.db2.gz VQTSIRLUDPACQD-UHFFFAOYSA-N 1 1 388.515 4.028 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc3ccc(=O)[nH]c32)CC1 ZINC000572402934 823333204 /nfs/dbraw/zinc/33/32/04/823333204.db2.gz MTYYOLBZHBZXKQ-KRWDZBQOSA-N 1 1 381.520 4.057 20 0 GIADMO C[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CCC1(F)F ZINC000572411926 823334430 /nfs/dbraw/zinc/33/44/30/823334430.db2.gz KUAZLCATLOQQMC-CZUORRHYSA-N 1 1 390.396 4.174 20 0 GIADMO O=C([C@H]1CC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)C1)N1CCCC1 ZINC000572409715 823334486 /nfs/dbraw/zinc/33/44/86/823334486.db2.gz ZNUIZCQMGGPMEB-HNNXBMFYSA-N 1 1 381.501 4.001 20 0 GIADMO CCCCC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000122299332 823334663 /nfs/dbraw/zinc/33/46/63/823334663.db2.gz IGBAGWGLFPIJPK-UHFFFAOYSA-N 1 1 382.504 4.391 20 0 GIADMO CCCCC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000122299332 823334674 /nfs/dbraw/zinc/33/46/74/823334674.db2.gz IGBAGWGLFPIJPK-UHFFFAOYSA-N 1 1 382.504 4.391 20 0 GIADMO Cc1c(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cccc1OCC(F)(F)F ZINC000122304972 823335242 /nfs/dbraw/zinc/33/52/42/823335242.db2.gz HIURJUPRRZDVRC-HNNXBMFYSA-N 1 1 387.446 4.036 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000016342940 818426775 /nfs/dbraw/zinc/42/67/75/818426775.db2.gz OHGPWVHWYWWGMN-INIZCTEOSA-N 1 1 378.472 4.316 20 0 GIADMO COc1cc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)ccc1OCc1ccccc1 ZINC000016347677 818426912 /nfs/dbraw/zinc/42/69/12/818426912.db2.gz AECGRTIPMMMGFU-QGZVFWFLSA-N 1 1 384.520 4.009 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)ccc1OCc1ccccc1 ZINC000016347677 818426920 /nfs/dbraw/zinc/42/69/20/818426920.db2.gz AECGRTIPMMMGFU-QGZVFWFLSA-N 1 1 384.520 4.009 20 0 GIADMO COc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000016347729 818427711 /nfs/dbraw/zinc/42/77/11/818427711.db2.gz CJRXJFRHEQRXOA-JOCHJYFZSA-N 1 1 377.484 4.440 20 0 GIADMO COc1ccc2cc(C[N@H+](C)CC(=O)N3CCSc4ccccc43)ccc2c1 ZINC000016353989 818428374 /nfs/dbraw/zinc/42/83/74/818428374.db2.gz JNWWKYJZRJFXBN-UHFFFAOYSA-N 1 1 392.524 4.419 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)CC(=O)N3CCSc4ccccc43)ccc2c1 ZINC000016353989 818428378 /nfs/dbraw/zinc/42/83/78/818428378.db2.gz JNWWKYJZRJFXBN-UHFFFAOYSA-N 1 1 392.524 4.419 20 0 GIADMO C[C@H](NC(=O)C[N@H+](C)CCOc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000016372626 818429954 /nfs/dbraw/zinc/42/99/54/818429954.db2.gz LRFPCCSGJZJXNJ-AWEZNQCLSA-N 1 1 381.303 4.181 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](C)CCOc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000016372626 818429956 /nfs/dbraw/zinc/42/99/56/818429956.db2.gz LRFPCCSGJZJXNJ-AWEZNQCLSA-N 1 1 381.303 4.181 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000016396169 818434675 /nfs/dbraw/zinc/43/46/75/818434675.db2.gz DYSAFZJVBVZJJO-UHFFFAOYSA-N 1 1 391.540 4.339 20 0 GIADMO C[N@H+]1CCCC12CCN(C(=O)C(Cc1ccccc1)Cc1ccccc1)CC2 ZINC000409888801 823336346 /nfs/dbraw/zinc/33/63/46/823336346.db2.gz BTXRJYSJLZBUEO-UHFFFAOYSA-N 1 1 376.544 4.175 20 0 GIADMO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000016445579 818443787 /nfs/dbraw/zinc/44/37/87/818443787.db2.gz KKBWQJXGSCRURC-SFHVURJKSA-N 1 1 393.531 4.381 20 0 GIADMO Cc1ccc(C)c(Sc2ccc(NC(=O)C[N@@H+]3CCC[C@@H](CO)C3)cc2)c1 ZINC000016484208 818448484 /nfs/dbraw/zinc/44/84/84/818448484.db2.gz ZYVNGFIRMXHAKD-GOSISDBHSA-N 1 1 384.545 4.097 20 0 GIADMO Cc1ccc(C)c(Sc2ccc(NC(=O)C[N@H+]3CCC[C@@H](CO)C3)cc2)c1 ZINC000016484208 818448491 /nfs/dbraw/zinc/44/84/91/818448491.db2.gz ZYVNGFIRMXHAKD-GOSISDBHSA-N 1 1 384.545 4.097 20 0 GIADMO C[C@H](NC(=O)C[N@H+](C)Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000016632155 818461125 /nfs/dbraw/zinc/46/11/25/818461125.db2.gz DSTSCNISVKDVQJ-ZDUSSCGKSA-N 1 1 395.728 4.412 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000016632155 818461132 /nfs/dbraw/zinc/46/11/32/818461132.db2.gz DSTSCNISVKDVQJ-ZDUSSCGKSA-N 1 1 395.728 4.412 20 0 GIADMO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000188994724 823339048 /nfs/dbraw/zinc/33/90/48/823339048.db2.gz RONZTWZDRYRTEN-QFIPXVFZSA-N 1 1 383.442 4.096 20 0 GIADMO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](O)C2)nc2ccccc2c1-c1ccccc1 ZINC000057834222 823339329 /nfs/dbraw/zinc/33/93/29/823339329.db2.gz VMVKGTRSDPNTSE-SFHVURJKSA-N 1 1 390.483 4.035 20 0 GIADMO CCOC(=O)c1c(C[N@H+]2CCC[C@H](O)C2)nc2ccccc2c1-c1ccccc1 ZINC000057834222 823339335 /nfs/dbraw/zinc/33/93/35/823339335.db2.gz VMVKGTRSDPNTSE-SFHVURJKSA-N 1 1 390.483 4.035 20 0 GIADMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)[C@@H](C)C1 ZINC000572441010 823339840 /nfs/dbraw/zinc/33/98/40/823339840.db2.gz VQWPHSFPOZBZJD-CALCHBBNSA-N 1 1 380.488 4.236 20 0 GIADMO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000572443865 823340082 /nfs/dbraw/zinc/34/00/82/823340082.db2.gz KHIGBLLQLAHGOQ-HXUWFJFHSA-N 1 1 386.540 4.200 20 0 GIADMO CC(C)([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000057846792 823340901 /nfs/dbraw/zinc/34/09/01/823340901.db2.gz PBTJGZFOTHTJQV-UHFFFAOYSA-N 1 1 395.816 4.359 20 0 GIADMO C[N@H+](CCCOc1ccc(F)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000017286812 818505291 /nfs/dbraw/zinc/50/52/91/818505291.db2.gz DYXRTOYVIMQDFL-UHFFFAOYSA-N 1 1 385.266 4.472 20 0 GIADMO C[N@@H+](CCCOc1ccc(F)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000017286812 818505296 /nfs/dbraw/zinc/50/52/96/818505296.db2.gz DYXRTOYVIMQDFL-UHFFFAOYSA-N 1 1 385.266 4.472 20 0 GIADMO CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460288946 823341194 /nfs/dbraw/zinc/34/11/94/823341194.db2.gz LOOYFGNPNUAFJU-GOSISDBHSA-N 1 1 395.576 4.051 20 0 GIADMO Cc1ccc2c(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1C ZINC000017306048 818506774 /nfs/dbraw/zinc/50/67/74/818506774.db2.gz WTXYOFJCJRWBSA-QGZVFWFLSA-N 1 1 388.471 4.184 20 0 GIADMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)c2cc1C ZINC000017306129 818506784 /nfs/dbraw/zinc/50/67/84/818506784.db2.gz SEJFVPBDOMPRHG-KRWDZBQOSA-N 1 1 388.471 4.184 20 0 GIADMO FC(F)Oc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000017517723 818517779 /nfs/dbraw/zinc/51/77/79/818517779.db2.gz BJOIZFPDBRIAAX-UHFFFAOYSA-N 1 1 391.487 4.193 20 0 GIADMO C[C@@H](Cc1ccsc1)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000057856105 823342212 /nfs/dbraw/zinc/34/22/12/823342212.db2.gz IWZKHHPWEUSUHO-INIZCTEOSA-N 1 1 391.968 4.250 20 0 GIADMO C[C@@H](Cc1ccsc1)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000057856105 823342217 /nfs/dbraw/zinc/34/22/17/823342217.db2.gz IWZKHHPWEUSUHO-INIZCTEOSA-N 1 1 391.968 4.250 20 0 GIADMO CC(=O)N1CC[C@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)c2ccccc21 ZINC000572492560 823349206 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823351578 /nfs/dbraw/zinc/35/15/78/823351578.db2.gz DZJVOBQKHAAACU-RXVVDRJESA-N 1 1 375.534 4.252 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000177034038 823355223 /nfs/dbraw/zinc/35/52/23/823355223.db2.gz KERYDTWPRYTAEU-LJQANCHMSA-N 1 1 392.507 4.332 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000572509638 823351735 /nfs/dbraw/zinc/35/17/35/823351735.db2.gz SELHGKDEPRNWPN-QHCPKHFHSA-N 1 1 380.488 4.045 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)[C@H](C)C1 ZINC000122423077 823351951 /nfs/dbraw/zinc/35/19/51/823351951.db2.gz JWSZHHWVXVCKRQ-VGOFRKELSA-N 1 1 390.531 4.136 20 0 GIADMO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)cc1Br ZINC000409952659 823352221 /nfs/dbraw/zinc/35/22/21/823352221.db2.gz LSGDKACGYVYLLU-NSHDSACASA-N 1 1 375.257 4.275 20 0 GIADMO CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000177026250 823352652 /nfs/dbraw/zinc/35/26/52/823352652.db2.gz SDJBGBBPSKZBRB-HXUWFJFHSA-N 1 1 384.545 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ZINC000177043584 823357763 /nfs/dbraw/zinc/35/77/63/823357763.db2.gz HTGMSAGQXQQLLL-ZBFHGGJFSA-N 1 1 386.927 4.004 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C1)CC(F)(F)F ZINC000177043606 823357920 /nfs/dbraw/zinc/35/79/20/823357920.db2.gz OJJCPYZKOQQGJW-CQSZACIVSA-N 1 1 396.400 4.003 20 0 GIADMO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)Cc1ccc(Br)cc1 ZINC000021671542 818723206 /nfs/dbraw/zinc/72/32/06/818723206.db2.gz WITRPKUFAQNKIY-ZDUSSCGKSA-N 1 1 395.728 4.239 20 0 GIADMO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000021671542 818723212 /nfs/dbraw/zinc/72/32/12/818723212.db2.gz WITRPKUFAQNKIY-ZDUSSCGKSA-N 1 1 395.728 4.239 20 0 GIADMO Cc1csc(C2([NH2+][C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)CCC2)n1 ZINC000460346565 823359858 /nfs/dbraw/zinc/35/98/58/823359858.db2.gz KPSMTNIUOGOQDX-LBPRGKRZSA-N 1 1 383.439 4.466 20 0 GIADMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cnn1C1CCCCC1 ZINC000572554426 823360131 /nfs/dbraw/zinc/36/01/31/823360131.db2.gz WPZLLTRVRHQLCN-PGRDOPGGSA-N 1 1 380.536 4.090 20 0 GIADMO C[N@@H+](CCCNC(=O)Nc1cccc(OCC(F)(F)F)c1)Cc1ccccc1 ZINC000058077037 823360261 /nfs/dbraw/zinc/36/02/61/823360261.db2.gz UUJVWTLEEUJOEO-UHFFFAOYSA-N 1 1 395.425 4.271 20 0 GIADMO C[N@@H+](CCCNC(=O)Nc1cccc(OCC(F)(F)F)c1)C1CCCCC1 ZINC000058076323 823360364 /nfs/dbraw/zinc/36/03/64/823360364.db2.gz ACBSNCZNHDIIRP-UHFFFAOYSA-N 1 1 387.446 4.404 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022040406 818766741 /nfs/dbraw/zinc/76/67/41/818766741.db2.gz AWLFISADWAJMMO-HNNXBMFYSA-N 1 1 392.330 4.138 20 0 GIADMO CCN(Cc1cnc(-c2ccncc2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572568382 823362768 /nfs/dbraw/zinc/36/27/68/823362768.db2.gz QGENGZZLHXMZTM-FQEVSTJZSA-N 1 1 378.545 4.302 20 0 GIADMO CC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000572568382 823362769 /nfs/dbraw/zinc/36/27/69/823362769.db2.gz QGENGZZLHXMZTM-FQEVSTJZSA-N 1 1 378.545 4.302 20 0 GIADMO CC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000572568382 823362776 /nfs/dbraw/zinc/36/27/76/823362776.db2.gz QGENGZZLHXMZTM-FQEVSTJZSA-N 1 1 378.545 4.302 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000022198551 818781917 /nfs/dbraw/zinc/78/19/17/818781917.db2.gz POYCAGDVHVYXLL-UHFFFAOYSA-N 1 1 397.302 4.471 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000022358197 818797175 /nfs/dbraw/zinc/79/71/75/818797175.db2.gz LCJOKBBHMWJFHQ-UHFFFAOYSA-N 1 1 387.549 4.326 20 0 GIADMO C[C@H]1C[C@H](NC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000460364853 823364899 /nfs/dbraw/zinc/36/48/99/823364899.db2.gz VJZFDVQRHQUHKB-DSLXNQLJSA-N 1 1 397.485 4.412 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CSCc1ccc(F)cc1)c1ccccc1Cl ZINC000022619763 818834930 /nfs/dbraw/zinc/83/49/30/818834930.db2.gz ZKAAELLXNRMJNL-SFHVURJKSA-N 1 1 380.916 4.131 20 0 GIADMO Cc1cccc(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000022775871 818859338 /nfs/dbraw/zinc/85/93/38/818859338.db2.gz QKABRGOFSUYBOO-UHFFFAOYSA-N 1 1 382.895 4.016 20 0 GIADMO Cn1c2ccc(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)cc2nc1C(F)F ZINC000410026222 823373688 /nfs/dbraw/zinc/37/36/88/823373688.db2.gz LZQIADXFWSMVFH-MRXNPFEDSA-N 1 1 390.478 4.038 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000022818079 818864378 /nfs/dbraw/zinc/86/43/78/818864378.db2.gz BLQPQHNQYHRBNZ-UHFFFAOYSA-N 1 1 382.895 4.016 20 0 GIADMO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410005979 823369597 /nfs/dbraw/zinc/36/95/97/823369597.db2.gz AMOWVEULHGOPKB-WMZOPIPTSA-N 1 1 390.449 4.447 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCc2ccc3cc[nH]c3n2)c1 ZINC000460378965 823369819 /nfs/dbraw/zinc/36/98/19/823369819.db2.gz PIIYKTSHIPUUBS-UHFFFAOYSA-N 1 1 393.535 4.184 20 0 GIADMO CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(OC)c(OC)c1 ZINC000022971866 818881899 /nfs/dbraw/zinc/88/18/99/818881899.db2.gz LYLPMMKVCJRRDP-OAHLLOKOSA-N 1 1 390.911 4.057 20 0 GIADMO CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(OC)c(OC)c1 ZINC000022971866 818881906 /nfs/dbraw/zinc/88/19/06/818881906.db2.gz LYLPMMKVCJRRDP-OAHLLOKOSA-N 1 1 390.911 4.057 20 0 GIADMO Oc1cccc(C[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC2CC2)c1 ZINC000460393521 823374433 /nfs/dbraw/zinc/37/44/33/823374433.db2.gz NWVQCHNEPCGHCZ-UHFFFAOYSA-N 1 1 386.293 4.443 20 0 GIADMO Oc1cccc(C[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC2CC2)c1 ZINC000460393521 823374441 /nfs/dbraw/zinc/37/44/41/823374441.db2.gz NWVQCHNEPCGHCZ-UHFFFAOYSA-N 1 1 386.293 4.443 20 0 GIADMO Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000460394865 823375227 /nfs/dbraw/zinc/37/52/27/823375227.db2.gz PQPABNLYXJCAJA-BKULYWANSA-N 1 1 392.543 4.196 20 0 GIADMO COc1ccccc1-c1nc(CN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000023468266 818944638 /nfs/dbraw/zinc/94/46/38/818944638.db2.gz IDOZCLMAXSYIPH-UHFFFAOYSA-N 1 1 379.529 4.137 20 0 GIADMO COc1cccc(-c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cs2)c1 ZINC000023468270 818944671 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GIADMO COc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2Br)OCO3)cc1F ZINC000024084366 819021176 /nfs/dbraw/zinc/02/11/76/819021176.db2.gz FTMCZKKMDARWRB-JTQLQIEISA-N 1 1 382.229 4.176 20 0 GIADMO Cc1ccc2c(C[N@H+](Cc3ccccc3)C[C@@H](O)c3ccco3)cc(=O)oc2c1 ZINC000177151648 823384036 /nfs/dbraw/zinc/38/40/36/823384036.db2.gz BSKPUWOHJWPZRY-OAQYLSRUSA-N 1 1 389.451 4.430 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)C(C)C)cc1 ZINC000024251118 819039500 /nfs/dbraw/zinc/03/95/00/819039500.db2.gz DOLUHQRGESTUSL-NYHFZMIOSA-N 1 1 390.474 4.480 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)C(C)C)cc1 ZINC000024251118 819039506 /nfs/dbraw/zinc/03/95/06/819039506.db2.gz DOLUHQRGESTUSL-NYHFZMIOSA-N 1 1 390.474 4.480 20 0 GIADMO CCOc1ccc(SCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000024473052 819062139 /nfs/dbraw/zinc/06/21/39/819062139.db2.gz YRPBDLMKWUNQRM-LJQANCHMSA-N 1 1 388.533 4.114 20 0 GIADMO CCSc1cccc(Br)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000572686665 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20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(OCCF)c2)C1 ZINC000122791559 823413140 /nfs/dbraw/zinc/41/31/40/823413140.db2.gz OXWDRPXEDMUOOY-ROUUACIJSA-N 1 1 377.504 4.153 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)n1 ZINC000177262692 823413345 /nfs/dbraw/zinc/41/33/45/823413345.db2.gz FAGDXALWFJXZRZ-CQSZACIVSA-N 1 1 387.281 4.068 20 0 GIADMO O=C(Nc1ccc(F)cc1OC(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000460500999 823409913 /nfs/dbraw/zinc/40/99/13/823409913.db2.gz DPTMUYYVWRQDLS-OAHLLOKOSA-N 1 1 378.394 4.278 20 0 GIADMO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888995 823414489 /nfs/dbraw/zinc/41/44/89/823414489.db2.gz TXNNLMOBGSFMPU-BXUZGUMPSA-N 1 1 395.263 4.120 20 0 GIADMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888995 823414494 /nfs/dbraw/zinc/41/44/94/823414494.db2.gz TXNNLMOBGSFMPU-BXUZGUMPSA-N 1 1 395.263 4.120 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888995 823414495 /nfs/dbraw/zinc/41/44/95/823414495.db2.gz TXNNLMOBGSFMPU-BXUZGUMPSA-N 1 1 395.263 4.120 20 0 GIADMO CCOC(=O)[C@@H]1CC[C@@H](N[C@H](C[NH+](C)C)c2ccc(F)cc2)c2ccccc21 ZINC000572890986 823414844 /nfs/dbraw/zinc/41/48/44/823414844.db2.gz QOHIEEWHIKYTRZ-YPAWHYETSA-N 1 1 384.495 4.200 20 0 GIADMO COc1cccc(F)c1[C@@H](C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122826240 823419288 /nfs/dbraw/zinc/41/92/88/823419288.db2.gz ZIFAVPOIGPUSAM-HUUCEWRRSA-N 1 1 396.466 4.450 20 0 GIADMO CC1(C)C[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@](C)(C(F)(F)F)O1 ZINC000572979389 823429340 /nfs/dbraw/zinc/42/93/40/823429340.db2.gz ISFJAXMYTFFLST-GOSISDBHSA-N 1 1 383.414 4.101 20 0 GIADMO CC1(C)C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@](C)(C(F)(F)F)O1 ZINC000572979389 823429341 /nfs/dbraw/zinc/42/93/41/823429341.db2.gz ISFJAXMYTFFLST-GOSISDBHSA-N 1 1 383.414 4.101 20 0 GIADMO CC1(C)C[N@H+](CCCc2nc(-c3ccccc3)no2)C[C@@](C)(C(F)(F)F)O1 ZINC000572979390 823429347 /nfs/dbraw/zinc/42/93/47/823429347.db2.gz ISFJAXMYTFFLST-SFHVURJKSA-N 1 1 383.414 4.101 20 0 GIADMO CC1(C)C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@@](C)(C(F)(F)F)O1 ZINC000572979390 823429350 /nfs/dbraw/zinc/42/93/50/823429350.db2.gz ISFJAXMYTFFLST-SFHVURJKSA-N 1 1 383.414 4.101 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000122868886 823426506 /nfs/dbraw/zinc/42/65/06/823426506.db2.gz HMRVWHUBUCPJRH-MRXNPFEDSA-N 1 1 378.451 4.067 20 0 GIADMO CC(C)N(C)c1ccccc1C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000572979457 823429440 /nfs/dbraw/zinc/42/94/40/823429440.db2.gz KWVLNCWSKNKXJB-UHFFFAOYSA-N 1 1 387.955 4.311 20 0 GIADMO CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460557038 823431883 /nfs/dbraw/zinc/43/18/83/823431883.db2.gz UQMXUPWOFIMFCZ-MHORFTMASA-N 1 1 383.458 4.194 20 0 GIADMO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000122907353 823432285 /nfs/dbraw/zinc/43/22/85/823432285.db2.gz FNPKPMGUJYXJBV-QGZVFWFLSA-N 1 1 396.535 4.499 20 0 GIADMO 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C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025059374 819917894 /nfs/dbraw/zinc/91/78/94/819917894.db2.gz NFVXSSFASDMKTP-FXAWDEMLSA-N 1 1 396.556 4.395 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000025087568 819924595 /nfs/dbraw/zinc/92/45/95/819924595.db2.gz QHWGMEUMBDJLHK-JXALWOEJSA-N 1 1 392.543 4.143 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000025087568 819924599 /nfs/dbraw/zinc/92/45/99/819924599.db2.gz QHWGMEUMBDJLHK-JXALWOEJSA-N 1 1 392.543 4.143 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC[C@H]3CCCc4ccccc43)cc2)C[C@H](C)O1 ZINC000025109041 819930510 /nfs/dbraw/zinc/93/05/10/819930510.db2.gz ZKCLFUXZTHXQME-SELNLUPBSA-N 1 1 392.543 4.146 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC[C@H]3CCCc4ccccc43)cc2)C[C@H](C)O1 ZINC000025109041 819930516 /nfs/dbraw/zinc/93/05/16/819930516.db2.gz ZKCLFUXZTHXQME-SELNLUPBSA-N 1 1 392.543 4.146 20 0 GIADMO C[N@@H+](CCCOc1ccc(Cl)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000573043814 823438914 /nfs/dbraw/zinc/43/89/14/823438914.db2.gz SXHYRVJNDXACCK-UHFFFAOYSA-N 1 1 378.866 4.458 20 0 GIADMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1cccc2ccccc21 ZINC000025234620 819947909 /nfs/dbraw/zinc/94/79/09/819947909.db2.gz OSSBGLXJSFEGHA-FQEVSTJZSA-N 1 1 395.499 4.119 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253897 819951355 /nfs/dbraw/zinc/95/13/55/819951355.db2.gz NJUKKVYYFMNPEW-KRWDZBQOSA-N 1 1 396.409 4.443 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025253897 819951362 /nfs/dbraw/zinc/95/13/62/819951362.db2.gz NJUKKVYYFMNPEW-KRWDZBQOSA-N 1 1 396.409 4.443 20 0 GIADMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000573057771 823441905 /nfs/dbraw/zinc/44/19/05/823441905.db2.gz WRZTURVRFXZIPO-JTSKRJEESA-N 1 1 385.508 4.326 20 0 GIADMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2nnc(C3CC3)s2)[C@@H]2CCCC[C@@H]12 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CC(C)[C@@H](CNC(=O)c1cc(F)c(F)cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000025917245 820038689 /nfs/dbraw/zinc/03/86/89/820038689.db2.gz YMNAIDYUICCKJH-HXUWFJFHSA-N 1 1 392.877 4.431 20 0 GIADMO Cc1cc2occ(CC(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)c2cc1C ZINC000025942613 820042484 /nfs/dbraw/zinc/04/24/84/820042484.db2.gz LYDRORFJOQQAQS-GOSISDBHSA-N 1 1 376.500 4.155 20 0 GIADMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000026094013 820056713 /nfs/dbraw/zinc/05/67/13/820056713.db2.gz BCHAFXGFYJYWGC-UHFFFAOYSA-N 1 1 376.497 4.391 20 0 GIADMO COc1ccc(-c2nn(C[N@@H+]3CCC[C@H]3Cc3ccccc3)c(=S)n2C)cc1 ZINC000026235297 820072898 /nfs/dbraw/zinc/07/28/98/820072898.db2.gz UIVIQJBTANKDDY-IBGZPJMESA-N 1 1 394.544 4.291 20 0 GIADMO COc1ccc(-c2nn(C[N@H+]3CCC[C@H]3Cc3ccccc3)c(=S)n2C)cc1 ZINC000026235297 820072907 /nfs/dbraw/zinc/07/29/07/820072907.db2.gz UIVIQJBTANKDDY-IBGZPJMESA-N 1 1 394.544 4.291 20 0 GIADMO CCCCc1oc2ccccc2c1C[N@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000026300855 820079517 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Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](C)C1)c1ccccc1 ZINC000573142664 823454473 /nfs/dbraw/zinc/45/44/73/823454473.db2.gz FIUMTYRJOIWREK-RCZSKKKRSA-N 1 1 389.486 4.439 20 0 GIADMO Cc1ccnc(-c2ccc(NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc2)n1 ZINC000189604930 823456959 /nfs/dbraw/zinc/45/69/59/823456959.db2.gz MZPLBECEQIOTRF-LEWJYISDSA-N 1 1 387.487 4.019 20 0 GIADMO O=C(NC1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1)c1ccccc1 ZINC000026911130 820163234 /nfs/dbraw/zinc/16/32/34/820163234.db2.gz GSTMTTXADCUBCZ-UHFFFAOYSA-N 1 1 395.890 4.389 20 0 GIADMO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026984877 820173505 /nfs/dbraw/zinc/17/35/05/820173505.db2.gz IGLOIXWKKKUKIH-SFHVURJKSA-N 1 1 390.531 4.193 20 0 GIADMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1OC ZINC000027134649 820198850 /nfs/dbraw/zinc/19/88/50/820198850.db2.gz UYIFVYQAAOSIEV-KGVIQGDOSA-N 1 1 396.531 4.186 20 0 GIADMO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1OC ZINC000027134649 820198858 /nfs/dbraw/zinc/19/88/58/820198858.db2.gz UYIFVYQAAOSIEV-KGVIQGDOSA-N 1 1 396.531 4.186 20 0 GIADMO CC[C@H](NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccs1 ZINC000177435218 823461255 /nfs/dbraw/zinc/46/12/55/823461255.db2.gz OJRJKZACKSQIEL-SCTDSRPQSA-N 1 1 393.597 4.120 20 0 GIADMO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000027415826 820241788 /nfs/dbraw/zinc/24/17/88/820241788.db2.gz LTRAAWSOLWBYDH-INIZCTEOSA-N 1 1 397.544 4.086 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)c(OC)c1 ZINC000027447923 820245775 /nfs/dbraw/zinc/24/57/75/820245775.db2.gz UZMLPKKUEQNEEL-XUZZJYLKSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)c(OC)c1 ZINC000027447923 820245783 /nfs/dbraw/zinc/24/57/83/820245783.db2.gz UZMLPKKUEQNEEL-XUZZJYLKSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000027535715 820256391 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CCOC1CC(CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000190004086 823524360 /nfs/dbraw/zinc/52/43/60/823524360.db2.gz RVEONSLGGIZWSI-PGFLUOATSA-N 1 1 387.568 4.065 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000036732598 821079672 /nfs/dbraw/zinc/07/96/72/821079672.db2.gz GWVKURZXJALBPU-INIZCTEOSA-N 1 1 395.272 4.138 20 0 GIADMO CCCc1noc2nc(C3CC3)cc(C(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)c12 ZINC000060412901 823524639 /nfs/dbraw/zinc/52/46/39/823524639.db2.gz BNCVTJZTHJLUKH-CABCVRRESA-N 1 1 384.524 4.045 20 0 GIADMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000123600679 823524817 /nfs/dbraw/zinc/52/48/17/823524817.db2.gz RGCVABZCSALZRU-KRWDZBQOSA-N 1 1 390.487 4.136 20 0 GIADMO CC(C)c1ccc(NC(=S)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000036847442 821087793 /nfs/dbraw/zinc/08/77/93/821087793.db2.gz DKVMFLCUFYYIOD-IBGZPJMESA-N 1 1 396.604 4.307 20 0 GIADMO O=C(Cc1csc(-c2cccs2)n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000039535835 821110518 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GIADMO Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2CC[C@@H]2CCCO2)n1 ZINC000190073295 823534005 /nfs/dbraw/zinc/53/40/05/823534005.db2.gz WWUJDUVJEYKVFE-XJKSGUPXSA-N 1 1 392.297 4.205 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000190086806 823535802 /nfs/dbraw/zinc/53/58/02/823535802.db2.gz UEQIJNAEHUWFBI-KRWDZBQOSA-N 1 1 398.469 4.002 20 0 GIADMO CCC[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)CC1CCCCC1 ZINC000060495459 823534542 /nfs/dbraw/zinc/53/45/42/823534542.db2.gz WWMLXZACJSDKFT-UHFFFAOYSA-N 1 1 399.579 4.156 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190076617 823534612 /nfs/dbraw/zinc/53/46/12/823534612.db2.gz ABDKQPCJXLQHJF-FQEVSTJZSA-N 1 1 391.519 4.092 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000177852051 823536382 /nfs/dbraw/zinc/53/63/82/823536382.db2.gz ONIZREBBLAWJGQ-LBPRGKRZSA-N 1 1 380.847 4.094 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123742415 823536508 /nfs/dbraw/zinc/53/65/08/823536508.db2.gz XOFFKUCMDFZAGE-UZLBHIALSA-N 1 1 385.870 4.383 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000041577826 821213082 /nfs/dbraw/zinc/21/30/82/821213082.db2.gz OHOYNMXFAHHMRY-UHFFFAOYSA-N 1 1 391.437 4.095 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1 ZINC000123752135 823537374 /nfs/dbraw/zinc/53/73/74/823537374.db2.gz CCSCUOCAMGXSMB-UHFFFAOYSA-N 1 1 379.445 4.161 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2cccc(F)c2)no1 ZINC000041765386 821225547 /nfs/dbraw/zinc/22/55/47/821225547.db2.gz NHHDUBVUJLKGDL-GOSISDBHSA-N 1 1 383.423 4.031 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000177885010 823541030 /nfs/dbraw/zinc/54/10/30/823541030.db2.gz HJQBJFPRWINXKX-UHFFFAOYSA-N 1 1 397.903 4.044 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1N(C)C(=O)c1cccs1 ZINC000041822728 821234149 /nfs/dbraw/zinc/23/41/49/821234149.db2.gz ZBXAHDUFLJRKDM-QGZVFWFLSA-N 1 1 399.560 4.019 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC000177867126 823538727 /nfs/dbraw/zinc/53/87/27/823538727.db2.gz LJKWRPHNWAMOCQ-KNQAVFIVSA-N 1 1 379.504 4.214 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000041929077 821245853 /nfs/dbraw/zinc/24/58/53/821245853.db2.gz XRIQJZPELLGFJW-UHFFFAOYSA-N 1 1 399.482 4.218 20 0 GIADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000460902347 823538862 /nfs/dbraw/zinc/53/88/62/823538862.db2.gz FGKMAWZCGCWKDG-GOSISDBHSA-N 1 1 391.531 4.195 20 0 GIADMO CCn1cc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)c2ccccc21 ZINC000042062589 821258933 /nfs/dbraw/zinc/25/89/33/821258933.db2.gz ZRZUYKDGVVUSQS-UHFFFAOYSA-N 1 1 398.510 4.167 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000177875304 823539760 /nfs/dbraw/zinc/53/97/60/823539760.db2.gz RZJXTIKTQFOIOC-PMACEKPBSA-N 1 1 386.927 4.193 20 0 GIADMO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000123777105 823539855 /nfs/dbraw/zinc/53/98/55/823539855.db2.gz ZUNXQXSGDRQEST-HBGVWJBISA-N 1 1 398.551 4.437 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(C)n(C(C)C)c3C)cc2)CC1 ZINC000060551549 823541325 /nfs/dbraw/zinc/54/13/25/823541325.db2.gz FHXZILDTAQFDBR-UHFFFAOYSA-N 1 1 382.552 4.076 20 0 GIADMO Cc1ccc(C2=CC[N@@H+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)cc1 ZINC000042122491 821269737 /nfs/dbraw/zinc/26/97/37/821269737.db2.gz XMYBBEMTJOMHLE-OAQYLSRUSA-N 1 1 394.478 4.321 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132520 821272788 /nfs/dbraw/zinc/27/27/88/821272788.db2.gz MMJBGLMARJPCAK-CVEARBPZSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132520 821272794 /nfs/dbraw/zinc/27/27/94/821272794.db2.gz MMJBGLMARJPCAK-CVEARBPZSA-N 1 1 381.451 4.482 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000042147768 821274570 /nfs/dbraw/zinc/27/45/70/821274570.db2.gz KGCDPNNCBLYTNS-ZWKOTPCHSA-N 1 1 387.568 4.106 20 0 GIADMO COc1cccc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000042155580 821276228 /nfs/dbraw/zinc/27/62/28/821276228.db2.gz IJJMCFQVIREURS-UHFFFAOYSA-N 1 1 392.421 4.108 20 0 GIADMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(SC)cc2)cc1OC ZINC000042296406 821296268 /nfs/dbraw/zinc/29/62/68/821296268.db2.gz KXXSURYYJHESBM-HNNXBMFYSA-N 1 1 388.533 4.275 20 0 GIADMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(SC)cc2)cc1OC ZINC000042296406 821296275 /nfs/dbraw/zinc/29/62/75/821296275.db2.gz KXXSURYYJHESBM-HNNXBMFYSA-N 1 1 388.533 4.275 20 0 GIADMO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000042330720 821301776 /nfs/dbraw/zinc/30/17/76/821301776.db2.gz IJNNVUNIXWDQSS-KDOFPFPSSA-N 1 1 392.421 4.166 20 0 GIADMO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000042330720 821301784 /nfs/dbraw/zinc/30/17/84/821301784.db2.gz IJNNVUNIXWDQSS-KDOFPFPSSA-N 1 1 392.421 4.166 20 0 GIADMO CCc1ccc([C@H](NC(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c2cccs2)cc1 ZINC000123794594 823541554 /nfs/dbraw/zinc/54/15/54/823541554.db2.gz QHXYYJNCGGVFRM-MBSDFSHPSA-N 1 1 398.572 4.017 20 0 GIADMO COc1ccc(-c2nc(CN3CCC[N@@H+](Cc4ccc(F)cc4)CC3)co2)cc1 ZINC000042760257 821331750 /nfs/dbraw/zinc/33/17/50/821331750.db2.gz DQHAQYVXXYDHHI-UHFFFAOYSA-N 1 1 395.478 4.197 20 0 GIADMO COc1ccc(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000042823127 821335842 /nfs/dbraw/zinc/33/58/42/821335842.db2.gz MMDNYDHRXOTXIN-UHFFFAOYSA-N 1 1 378.476 4.385 20 0 GIADMO CCc1cccc(C)c1NC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000043156210 821369554 /nfs/dbraw/zinc/36/95/54/821369554.db2.gz CYNOMXWNOZVACA-JOCHJYFZSA-N 1 1 394.563 4.058 20 0 GIADMO CCc1cccc(C)c1NC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043156210 821369564 /nfs/dbraw/zinc/36/95/64/821369564.db2.gz CYNOMXWNOZVACA-JOCHJYFZSA-N 1 1 394.563 4.058 20 0 GIADMO CCc1cccc(C)c1NC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000043156210 821369574 /nfs/dbraw/zinc/36/95/74/821369574.db2.gz CYNOMXWNOZVACA-JOCHJYFZSA-N 1 1 394.563 4.058 20 0 GIADMO CCc1cccc(C)c1NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000043156440 821370028 /nfs/dbraw/zinc/37/00/28/821370028.db2.gz JNSLRSLMUYRQKD-UHFFFAOYSA-N 1 1 381.520 4.306 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCc2sccc2C1 ZINC000043158395 821370632 /nfs/dbraw/zinc/37/06/32/821370632.db2.gz DQXQMBDCXDWDKU-LBPRGKRZSA-N 1 1 383.439 4.335 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCc2sccc2C1 ZINC000043158395 821370641 /nfs/dbraw/zinc/37/06/41/821370641.db2.gz DQXQMBDCXDWDKU-LBPRGKRZSA-N 1 1 383.439 4.335 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000043174528 821373855 /nfs/dbraw/zinc/37/38/55/821373855.db2.gz MZBFBSYPRSABIO-UHFFFAOYSA-N 1 1 387.911 4.397 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180632190 821375608 /nfs/dbraw/zinc/37/56/08/821375608.db2.gz JLKCRGJILVWELO-PXNSSMCTSA-N 1 1 397.567 4.190 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180632190 821375617 /nfs/dbraw/zinc/37/56/17/821375617.db2.gz JLKCRGJILVWELO-PXNSSMCTSA-N 1 1 397.567 4.190 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000180643978 821380077 /nfs/dbraw/zinc/38/00/77/821380077.db2.gz YICVAMGCYMEOKG-KDOFPFPSSA-N 1 1 379.331 4.411 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000180643978 821380088 /nfs/dbraw/zinc/38/00/88/821380088.db2.gz YICVAMGCYMEOKG-KDOFPFPSSA-N 1 1 379.331 4.411 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1nc2sc(C)c(C)c2c(N)n1)c1ccc2c(c1)OCCO2 ZINC000180649438 821381870 /nfs/dbraw/zinc/38/18/70/821381870.db2.gz JTFHFHXCHWOLMY-SWLSCSKDSA-N 1 1 398.532 4.463 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000180649303 821381932 /nfs/dbraw/zinc/38/19/32/821381932.db2.gz QDNDLRLBUDBACY-WBMJQRKESA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000180649303 821381937 /nfs/dbraw/zinc/38/19/37/821381937.db2.gz QDNDLRLBUDBACY-WBMJQRKESA-N 1 1 387.833 4.038 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000043272820 821384595 /nfs/dbraw/zinc/38/45/95/821384595.db2.gz IFTJOQFVANAGQS-AWEZNQCLSA-N 1 1 380.883 4.000 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000043272820 821384607 /nfs/dbraw/zinc/38/46/07/821384607.db2.gz IFTJOQFVANAGQS-AWEZNQCLSA-N 1 1 380.883 4.000 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000043281722 821386530 /nfs/dbraw/zinc/38/65/30/821386530.db2.gz IRTLUMRSOIEGEB-UHFFFAOYSA-N 1 1 398.526 4.201 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1 ZINC000180673516 821390666 /nfs/dbraw/zinc/39/06/66/821390666.db2.gz AVTRCJFSQVOSFW-PGRDOPGGSA-N 1 1 376.504 4.133 20 0 GIADMO CN(C)c1cc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c2ccccc2n1 ZINC000180687282 821395396 /nfs/dbraw/zinc/39/53/96/821395396.db2.gz RUNFRUJHDFRHNK-HSZRJFAPSA-N 1 1 389.478 4.053 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ncc(Br)s1 ZINC000180691519 821397348 /nfs/dbraw/zinc/39/73/48/821397348.db2.gz SPQAQSXAUBBYAH-LDYMZIIASA-N 1 1 395.244 4.309 20 0 GIADMO COc1cc(OC)cc([C@H]([NH2+]C2CC(c3ccc(C)cc3)C2)c2nccn2C)c1 ZINC000180708583 821409544 /nfs/dbraw/zinc/40/95/44/821409544.db2.gz PZYJRAWYMBSLGM-PXLSRWGNSA-N 1 1 391.515 4.371 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)CCCNC(=O)C(F)(F)F ZINC000180713142 821412199 /nfs/dbraw/zinc/41/21/99/821412199.db2.gz MVLZNGDZOVPGIE-CYBMUJFWSA-N 1 1 385.455 4.180 20 0 GIADMO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1Br ZINC000180740172 821427724 /nfs/dbraw/zinc/42/77/24/821427724.db2.gz MEQCNWSNRKOWCR-OAHLLOKOSA-N 1 1 399.348 4.274 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749399 821433183 /nfs/dbraw/zinc/43/31/83/821433183.db2.gz NSJQABLIBUIDAZ-FPOVZHCZSA-N 1 1 389.902 4.147 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749399 821433187 /nfs/dbraw/zinc/43/31/87/821433187.db2.gz NSJQABLIBUIDAZ-FPOVZHCZSA-N 1 1 389.902 4.147 20 0 GIADMO COc1cc(C)ccc1C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180760940 821439136 /nfs/dbraw/zinc/43/91/36/821439136.db2.gz RYOSCPYLNKYTGR-HSZRJFAPSA-N 1 1 395.524 4.286 20 0 GIADMO CC[C@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)c1ccc(OC)cc1 ZINC000180771427 821446107 /nfs/dbraw/zinc/44/61/07/821446107.db2.gz SJYQPFHTKQPOBM-ZDUSSCGKSA-N 1 1 392.253 4.342 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180782753 821455258 /nfs/dbraw/zinc/45/52/58/821455258.db2.gz RNNQUSLUXOSGFE-RDTXWAMCSA-N 1 1 392.469 4.041 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000043860274 821474960 /nfs/dbraw/zinc/47/49/60/821474960.db2.gz LDODFKJOTMTCPJ-LJQANCHMSA-N 1 1 399.535 4.060 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccc(-n2cccn2)cc1 ZINC000180848362 821493541 /nfs/dbraw/zinc/49/35/41/821493541.db2.gz COGVTTCKORTVDI-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180855325 821496997 /nfs/dbraw/zinc/49/69/97/821496997.db2.gz JAZWUYGBSZNYDC-QFBILLFUSA-N 1 1 395.551 4.264 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180864689 821501145 /nfs/dbraw/zinc/50/11/45/821501145.db2.gz TZZBSNYXJLRMML-ZIAGYGMSSA-N 1 1 385.430 4.360 20 0 GIADMO C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180868764 821503658 /nfs/dbraw/zinc/50/36/58/821503658.db2.gz BPPFABNCXBVKMC-ZFWWWQNUSA-N 1 1 375.314 4.316 20 0 GIADMO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2cnc4c(c2)c(C)nn4C)C3)cs1 ZINC000180880160 821509921 /nfs/dbraw/zinc/50/99/21/821509921.db2.gz HHWIUCSGHPYWAS-UHFFFAOYSA-N 1 1 395.557 4.328 20 0 GIADMO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2cnc4c(c2)c(C)nn4C)C3)cs1 ZINC000180880160 821509927 /nfs/dbraw/zinc/50/99/27/821509927.db2.gz HHWIUCSGHPYWAS-UHFFFAOYSA-N 1 1 395.557 4.328 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000044083855 821519581 /nfs/dbraw/zinc/51/95/81/821519581.db2.gz PLCIABKDSUHTHJ-UHFFFAOYSA-N 1 1 394.519 4.021 20 0 GIADMO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180904164 821527248 /nfs/dbraw/zinc/52/72/48/821527248.db2.gz ODXFNCLIQWTHAI-MRXNPFEDSA-N 1 1 395.469 4.081 20 0 GIADMO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180939124 821547732 /nfs/dbraw/zinc/54/77/32/821547732.db2.gz ZLJCCOSXQOPFRQ-UHFFFAOYSA-N 1 1 389.439 4.268 20 0 GIADMO CC(C)(C)n1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000180952621 821553720 /nfs/dbraw/zinc/55/37/20/821553720.db2.gz NLLOZMJQXDTRSB-FPOVZHCZSA-N 1 1 395.551 4.157 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000044251680 821555096 /nfs/dbraw/zinc/55/50/96/821555096.db2.gz SGEJFPIOMJEQDT-INIZCTEOSA-N 1 1 385.499 4.029 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000180960831 821557729 /nfs/dbraw/zinc/55/77/29/821557729.db2.gz NXDGNBFPCISZCE-UHFFFAOYSA-N 1 1 390.531 4.491 20 0 GIADMO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cc2ccccc2o1 ZINC000180975885 821567931 /nfs/dbraw/zinc/56/79/31/821567931.db2.gz AEIBYPAOFYFJLT-GOSISDBHSA-N 1 1 391.515 4.109 20 0 GIADMO Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(Cl)n1 ZINC000044325618 821569662 /nfs/dbraw/zinc/56/96/62/821569662.db2.gz BBSWOAIUUVPJCN-KRWDZBQOSA-N 1 1 378.303 4.264 20 0 GIADMO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180995078 821581570 /nfs/dbraw/zinc/58/15/70/821581570.db2.gz GIQBBQSUHLGFJU-IBGZPJMESA-N 1 1 396.918 4.456 20 0 GIADMO Cc1ccc(-c2ccc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)o2)cc1 ZINC000180996853 821583009 /nfs/dbraw/zinc/58/30/09/821583009.db2.gz RJZRXGFUANYPPF-QFIPXVFZSA-N 1 1 376.500 4.111 20 0 GIADMO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1Cl ZINC000180999472 821585057 /nfs/dbraw/zinc/58/50/57/821585057.db2.gz MUSCQWYNWHXQHA-AWEZNQCLSA-N 1 1 394.346 4.136 20 0 GIADMO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533155 821601192 /nfs/dbraw/zinc/60/11/92/821601192.db2.gz DBSXSPWPJZWTQO-RYUDHWBXSA-N 1 1 390.163 4.204 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+](C)CCCn1ccnc1 ZINC000181060667 821614121 /nfs/dbraw/zinc/61/41/21/821614121.db2.gz MXIHSRGHDLXDQA-GFCCVEGCSA-N 1 1 380.279 4.323 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[N@H+]1CCc2ccccc2C1 ZINC000181114466 821641227 /nfs/dbraw/zinc/64/12/27/821641227.db2.gz ZTSKMQIMILFSRF-ZDUSSCGKSA-N 1 1 399.445 4.069 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[N@@H+]1CCc2ccccc2C1 ZINC000181114466 821641233 /nfs/dbraw/zinc/64/12/33/821641233.db2.gz ZTSKMQIMILFSRF-ZDUSSCGKSA-N 1 1 399.445 4.069 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[N@H+]1CCc2ccccc2C1 ZINC000181114466 821641238 /nfs/dbraw/zinc/64/12/38/821641238.db2.gz ZTSKMQIMILFSRF-ZDUSSCGKSA-N 1 1 399.445 4.069 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)n1 ZINC000181120308 821645559 /nfs/dbraw/zinc/64/55/59/821645559.db2.gz GDZZHAPNGSQNJG-UHFFFAOYSA-N 1 1 375.398 4.129 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)n1 ZINC000181120308 821645569 /nfs/dbraw/zinc/64/55/69/821645569.db2.gz GDZZHAPNGSQNJG-UHFFFAOYSA-N 1 1 375.398 4.129 20 0 GIADMO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181123394 821647588 /nfs/dbraw/zinc/64/75/88/821647588.db2.gz QJVZPRNUSWIWBA-UHFFFAOYSA-N 1 1 399.445 4.418 20 0 GIADMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)cc1OC(F)F)CCO2 ZINC000181127830 821649873 /nfs/dbraw/zinc/64/98/73/821649873.db2.gz OSHKTBXEVGMFEI-QGZVFWFLSA-N 1 1 379.403 4.309 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000181134374 821654552 /nfs/dbraw/zinc/65/45/52/821654552.db2.gz FLRPOWSLERYHIN-AEFFLSMTSA-N 1 1 379.504 4.418 20 0 GIADMO Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nn1C(C)(C)C ZINC000044836189 821670334 /nfs/dbraw/zinc/67/03/34/821670334.db2.gz NTWXQTJRRVFASK-IBGZPJMESA-N 1 1 388.943 4.167 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCOc3ccccc3)cc2)C1 ZINC000044878903 821676330 /nfs/dbraw/zinc/67/63/30/821676330.db2.gz IETKYNAYQSFIKI-FQEVSTJZSA-N 1 1 380.532 4.394 20 0 GIADMO O=C(C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)N1CCc2sccc2C1 ZINC000044893510 821677011 /nfs/dbraw/zinc/67/70/11/821677011.db2.gz SRXBFXJXBZTHJP-UHFFFAOYSA-N 1 1 394.462 4.316 20 0 GIADMO O=C(C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1)N1CCc2sccc2C1 ZINC000044893510 821677012 /nfs/dbraw/zinc/67/70/12/821677012.db2.gz SRXBFXJXBZTHJP-UHFFFAOYSA-N 1 1 394.462 4.316 20 0 GIADMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000045003330 821688931 /nfs/dbraw/zinc/68/89/31/821688931.db2.gz HETCXQFZAMVYKE-OAHLLOKOSA-N 1 1 394.500 4.371 20 0 GIADMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000045003330 821688937 /nfs/dbraw/zinc/68/89/37/821688937.db2.gz HETCXQFZAMVYKE-OAHLLOKOSA-N 1 1 394.500 4.371 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000181215439 821702180 /nfs/dbraw/zinc/70/21/80/821702180.db2.gz OUMMPYCRPPOLFS-QUCCMNQESA-N 1 1 382.552 4.336 20 0 GIADMO Cc1c(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cnn1-c1ccccc1F ZINC000181241264 821714980 /nfs/dbraw/zinc/71/49/80/821714980.db2.gz GMIGGACONWEBLO-JXFKEZNVSA-N 1 1 379.483 4.037 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181267243 821725018 /nfs/dbraw/zinc/72/50/18/821725018.db2.gz AVZGRVHCWAVRED-CQSZACIVSA-N 1 1 381.407 4.288 20 0 GIADMO COc1ccc([C@@H](C)NCc2ccc(C[NH+](C)C)cc2)c(Br)c1 ZINC000181416252 821814176 /nfs/dbraw/zinc/81/41/76/821814176.db2.gz WTSWGKCIIQSAOH-CQSZACIVSA-N 1 1 377.326 4.370 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)CCC3)cc1 ZINC000181424026 821819415 /nfs/dbraw/zinc/81/94/15/821819415.db2.gz MVZOILDHWPCKHF-FZKQIMNGSA-N 1 1 382.533 4.448 20 0 GIADMO Cc1cccc(-c2nc(CC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)c1 ZINC000181430313 821822694 /nfs/dbraw/zinc/82/26/94/821822694.db2.gz DLCGSJQDFUWBSV-MJGOQNOKSA-N 1 1 397.588 4.430 20 0 GIADMO COc1ccccc1[C@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccco1 ZINC000181431234 821823664 /nfs/dbraw/zinc/82/36/64/821823664.db2.gz WAEVQLJCCUALSK-UGSOOPFHSA-N 1 1 390.281 4.015 20 0 GIADMO COC[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000181437097 821826306 /nfs/dbraw/zinc/82/63/06/821826306.db2.gz AKCINUHYJNQDGG-QFBILLFUSA-N 1 1 396.503 4.207 20 0 GIADMO C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181445896 821829645 /nfs/dbraw/zinc/82/96/45/821829645.db2.gz UNKHAXJRWFGFMI-RXVVDRJESA-N 1 1 393.531 4.043 20 0 GIADMO C[N@H+](Cc1ncc(-c2cccc(Br)c2)o1)C[C@H]1CCCC[C@@H]1O ZINC000181461658 821837065 /nfs/dbraw/zinc/83/70/65/821837065.db2.gz HDBJTBAISCQYFC-ZBFHGGJFSA-N 1 1 379.298 4.087 20 0 GIADMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181463822 821838391 /nfs/dbraw/zinc/83/83/91/821838391.db2.gz VTOCWSMCUYYOMD-INWMFGNUSA-N 1 1 383.414 4.299 20 0 GIADMO Cc1cc(Br)ccc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181493410 821851898 /nfs/dbraw/zinc/85/18/98/821851898.db2.gz BGJIWRLUVCPQOT-CABCVRRESA-N 1 1 379.342 4.140 20 0 GIADMO CC[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCO1 ZINC000181495942 821853143 /nfs/dbraw/zinc/85/31/43/821853143.db2.gz GZNHHPHDLVSCFF-KXBFYZLASA-N 1 1 399.362 4.279 20 0 GIADMO C[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CCOCC1 ZINC000181498483 821854908 /nfs/dbraw/zinc/85/49/08/821854908.db2.gz ZKSLUOIVRMWPHK-CQSZACIVSA-N 1 1 399.362 4.137 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181503622 821857331 /nfs/dbraw/zinc/85/73/31/821857331.db2.gz TWTMLNCGDLUFJF-MJGOQNOKSA-N 1 1 379.548 4.163 20 0 GIADMO C[C@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(-n2cncn2)cc1 ZINC000181522416 821865221 /nfs/dbraw/zinc/86/52/21/821865221.db2.gz HOGUBXRECSSWRK-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H](C)[C@@H](C)c3ccccc3)s2)cc1 ZINC000181522705 821865725 /nfs/dbraw/zinc/86/57/25/821865725.db2.gz JVUNYKZZYWFVRW-HUUCEWRRSA-N 1 1 396.516 4.081 20 0 GIADMO COc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](C)[C@@H](C)c3ccccc3)s2)cc1 ZINC000181522746 821866020 /nfs/dbraw/zinc/86/60/20/821866020.db2.gz JVUNYKZZYWFVRW-CABCVRRESA-N 1 1 396.516 4.081 20 0 GIADMO C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181531488 821868964 /nfs/dbraw/zinc/86/89/64/821868964.db2.gz KXPVLODCWDZPDX-IXDOHACOSA-N 1 1 378.557 4.323 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc(OCC2CC2)c(F)c1 ZINC000181570236 821884190 /nfs/dbraw/zinc/88/41/90/821884190.db2.gz SYGXUFWJMQTDDJ-HNNXBMFYSA-N 1 1 380.467 4.261 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CC1 ZINC000181590759 821893449 /nfs/dbraw/zinc/89/34/49/821893449.db2.gz BOZMSFNEPPQRRG-UHFFFAOYSA-N 1 1 384.480 4.272 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)C2CC2)n1 ZINC000181602341 821898410 /nfs/dbraw/zinc/89/84/10/821898410.db2.gz QOBDJFBZBJBYJH-NHYWBVRUSA-N 1 1 381.448 4.121 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181614162 821904420 /nfs/dbraw/zinc/90/44/20/821904420.db2.gz CLZLZXYCXMDHHI-FQEVSTJZSA-N 1 1 381.520 4.007 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C2CC2)n1 ZINC000181627632 821911259 /nfs/dbraw/zinc/91/12/59/821911259.db2.gz MHBZOJJXFHCIIJ-YCRPNKLZSA-N 1 1 383.561 4.248 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)cc1F ZINC000181646780 821920826 /nfs/dbraw/zinc/92/08/26/821920826.db2.gz CZMRQTZCUJFHLC-GOSISDBHSA-N 1 1 389.471 4.238 20 0 GIADMO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1cccc2ccccc21 ZINC000181672148 821936344 /nfs/dbraw/zinc/93/63/44/821936344.db2.gz FJIQDJPTPOTGOB-CQSZACIVSA-N 1 1 395.413 4.268 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)cc1 ZINC000181676173 821938999 /nfs/dbraw/zinc/93/89/99/821938999.db2.gz YWDRBSCKYARWBW-MJGOQNOKSA-N 1 1 397.588 4.430 20 0 GIADMO CSc1ccc(NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)cc1 ZINC000181837188 822012785 /nfs/dbraw/zinc/01/27/85/822012785.db2.gz AVAOJLGQQDOZFB-IBGZPJMESA-N 1 1 386.517 4.020 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-n2cncn2)cc1 ZINC000181882526 822025961 /nfs/dbraw/zinc/02/59/61/822025961.db2.gz SNMLYJWDDIVSAX-CYBMUJFWSA-N 1 1 381.386 4.051 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)c1ccc(-n2cncn2)cc1 ZINC000181883457 822025981 /nfs/dbraw/zinc/02/59/81/822025981.db2.gz HBSWCYMCRWJCBF-KGLIPLIRSA-N 1 1 394.866 4.383 20 0 GIADMO CC(C)Sc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000181898555 822030701 /nfs/dbraw/zinc/03/07/01/822030701.db2.gz DYAJRCPLPXLEJJ-IBGZPJMESA-N 1 1 399.560 4.075 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)co2)cc1 ZINC000181921532 822036961 /nfs/dbraw/zinc/03/69/61/822036961.db2.gz GQWRPTZWGAWCCC-MRXNPFEDSA-N 1 1 389.459 4.172 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1cccc(F)c1F ZINC000181960215 822046476 /nfs/dbraw/zinc/04/64/76/822046476.db2.gz FKDXPXVQPFNDAP-VIFPVBQESA-N 1 1 387.199 4.156 20 0 GIADMO C[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182007874 822060599 /nfs/dbraw/zinc/06/05/99/822060599.db2.gz FIEOWKCHGCCVNO-KRWDZBQOSA-N 1 1 389.528 4.360 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182021978 822065515 /nfs/dbraw/zinc/06/55/15/822065515.db2.gz MIIFQCTVSVKISZ-CYBMUJFWSA-N 1 1 381.386 4.051 20 0 GIADMO CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1OC ZINC000182064350 822079252 /nfs/dbraw/zinc/07/92/52/822079252.db2.gz WWBVVXIVWLCRCM-CYBMUJFWSA-N 1 1 379.298 4.444 20 0 GIADMO CCCc1c(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cnn1-c1cccc(F)c1 ZINC000182169947 822128940 /nfs/dbraw/zinc/12/89/40/822128940.db2.gz AXSOIVMRSQQATL-OAQYLSRUSA-N 1 1 380.467 4.205 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccn3C)co2)cc1 ZINC000182208405 822147838 /nfs/dbraw/zinc/14/78/38/822147838.db2.gz HGSUVNIAZYJFQH-HXUWFJFHSA-N 1 1 379.460 4.194 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccn3C)co2)cc1 ZINC000182208405 822147842 /nfs/dbraw/zinc/14/78/42/822147842.db2.gz HGSUVNIAZYJFQH-HXUWFJFHSA-N 1 1 379.460 4.194 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000182210348 822148400 /nfs/dbraw/zinc/14/84/00/822148400.db2.gz YYRJUTSNILEVGK-KRWDZBQOSA-N 1 1 391.357 4.434 20 0 GIADMO COc1ccc([C@@H](C)NCc2ccc3c(c2)OCCO3)cc1C[NH+]1CCCCC1 ZINC000182216451 822152265 /nfs/dbraw/zinc/15/22/65/822152265.db2.gz ODVQFASSJKUNFD-GOSISDBHSA-N 1 1 396.531 4.303 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc(-c2ccccc2)cs1 ZINC000182262053 822175452 /nfs/dbraw/zinc/17/54/52/822175452.db2.gz AJHYNEVYVFEYIK-UWJYYQICSA-N 1 1 393.556 4.228 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)[C@@H]1CCCO1 ZINC000182262963 822175979 /nfs/dbraw/zinc/17/59/79/822175979.db2.gz PULPDMKZMNIZRN-PMACEKPBSA-N 1 1 387.549 4.492 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cs2)cc1 ZINC000182262654 822176115 /nfs/dbraw/zinc/17/61/15/822176115.db2.gz HOSCVFLXOBKYMW-ZDUSSCGKSA-N 1 1 396.468 4.176 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@H](CC)[C@H]2CCCO2)cs1 ZINC000182308178 822197244 /nfs/dbraw/zinc/19/72/44/822197244.db2.gz YEUPXKJCGSBMKE-UYAOXDASSA-N 1 1 387.549 4.437 20 0 GIADMO CC[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000182310261 822198222 /nfs/dbraw/zinc/19/82/22/822198222.db2.gz LCCDTLLNGCCOBB-CVEARBPZSA-N 1 1 381.701 4.370 20 0 GIADMO O=C(Nc1nccs1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182354594 822212023 /nfs/dbraw/zinc/21/20/23/822212023.db2.gz AFTSMKWMFWVBNX-UHFFFAOYSA-N 1 1 385.320 4.236 20 0 GIADMO Cc1cccnc1NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182354338 822212310 /nfs/dbraw/zinc/21/23/10/822212310.db2.gz RKSHZMVRECUXSM-UHFFFAOYSA-N 1 1 393.318 4.483 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182379738 822221818 /nfs/dbraw/zinc/22/18/18/822221818.db2.gz SELAMVRPMVXEBQ-GOEBONIOSA-N 1 1 383.458 4.158 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000182394431 822227626 /nfs/dbraw/zinc/22/76/26/822227626.db2.gz FRSPMOJXIYYVSC-FCEUIQTBSA-N 1 1 381.495 4.041 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1c(C)noc1C ZINC000182396141 822228342 /nfs/dbraw/zinc/22/83/42/822228342.db2.gz MUTZGGFORLKODB-IBGZPJMESA-N 1 1 391.471 4.202 20 0 GIADMO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)c1c(C)noc1C ZINC000182405132 822231526 /nfs/dbraw/zinc/23/15/26/822231526.db2.gz KFMRIIFOWKICKO-ZDUSSCGKSA-N 1 1 383.286 4.312 20 0 GIADMO Cc1cnc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000177952346 822255463 /nfs/dbraw/zinc/25/54/63/822255463.db2.gz URAVMYAWQBTBGM-KBXCAEBGSA-N 1 1 397.466 4.083 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000177964518 822260259 /nfs/dbraw/zinc/26/02/59/822260259.db2.gz NGZWGUQMMHXIRS-KRWDZBQOSA-N 1 1 398.576 4.322 20 0 GIADMO Cc1c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)oc2c1C(=O)CCC2 ZINC000177971434 822263276 /nfs/dbraw/zinc/26/32/76/822263276.db2.gz TYGRSUAOYVOIGO-MRXNPFEDSA-N 1 1 386.536 4.224 20 0 GIADMO COCCC[C@@H](C)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000182495519 822266501 /nfs/dbraw/zinc/26/65/01/822266501.db2.gz KMRXCDFNJVEDRG-XLIONFOSSA-N 1 1 386.561 4.026 20 0 GIADMO COCCC[C@@H](C)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000182495519 822266509 /nfs/dbraw/zinc/26/65/09/822266509.db2.gz KMRXCDFNJVEDRG-XLIONFOSSA-N 1 1 386.561 4.026 20 0 GIADMO COC[C@H](NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000182505032 822271960 /nfs/dbraw/zinc/27/19/60/822271960.db2.gz WRSAYQCSWOUZEU-NRFANRHFSA-N 1 1 378.438 4.046 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000178025926 822288108 /nfs/dbraw/zinc/28/81/08/822288108.db2.gz GSZJEHCKYVWGCU-QGZVFWFLSA-N 1 1 398.576 4.116 20 0 GIADMO Brc1ccc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccco2)cc1 ZINC000182541274 822292299 /nfs/dbraw/zinc/29/22/99/822292299.db2.gz WQTNRVIECHREEL-IFXJQAMLSA-N 1 1 375.310 4.205 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)C1 ZINC000178042639 822296067 /nfs/dbraw/zinc/29/60/67/822296067.db2.gz LIVHSVPAZOGOAI-SFHVURJKSA-N 1 1 382.508 4.296 20 0 GIADMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182548632 822296368 /nfs/dbraw/zinc/29/63/68/822296368.db2.gz YHGZHDSSKOSLIH-KRWDZBQOSA-N 1 1 376.460 4.080 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182548632 822296375 /nfs/dbraw/zinc/29/63/75/822296375.db2.gz YHGZHDSSKOSLIH-KRWDZBQOSA-N 1 1 376.460 4.080 20 0 GIADMO COC(=O)c1oc(C[NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1C ZINC000182564194 822304819 /nfs/dbraw/zinc/30/48/19/822304819.db2.gz XMZPQSFMDWQYOL-INIZCTEOSA-N 1 1 392.455 4.478 20 0 GIADMO C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000178068278 822308191 /nfs/dbraw/zinc/30/81/91/822308191.db2.gz HCLQTSOJPXYEJT-OAQYLSRUSA-N 1 1 396.853 4.037 20 0 GIADMO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000182591436 822314714 /nfs/dbraw/zinc/31/47/14/822314714.db2.gz RPTAPCXYRLCLGZ-JKSUJKDBSA-N 1 1 381.701 4.370 20 0 GIADMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCOc3ccccc32)c2ccccc2)c1 ZINC000178105883 822321970 /nfs/dbraw/zinc/32/19/70/822321970.db2.gz UVSZUPOKTBAAFO-JTHBVZDNSA-N 1 1 393.508 4.293 20 0 GIADMO CC[C@@H](C)[N@@H+](CCCc1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000182615297 822323572 /nfs/dbraw/zinc/32/35/72/822323572.db2.gz ZDUGJZQQTCVGHL-QGZVFWFLSA-N 1 1 379.504 4.165 20 0 GIADMO COCCOc1cc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)ccn1 ZINC000182633884 822331798 /nfs/dbraw/zinc/33/17/98/822331798.db2.gz PRYVKNXIFJONAO-UHFFFAOYSA-N 1 1 397.519 4.124 20 0 GIADMO C[C@@H](NC(=O)NCc1csc(-c2ccccc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182642974 822335753 /nfs/dbraw/zinc/33/57/53/822335753.db2.gz SZSWTHYXNIURIG-SJLPKXTDSA-N 1 1 398.576 4.262 20 0 GIADMO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(CO)cc1 ZINC000182644675 822336693 /nfs/dbraw/zinc/33/66/93/822336693.db2.gz SZTAUEXJJVYLFT-HNNXBMFYSA-N 1 1 394.437 4.437 20 0 GIADMO O=S1(=O)CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 ZINC000182671451 822345913 /nfs/dbraw/zinc/34/59/13/822345913.db2.gz WYIUILLTNOWXNS-MAUKXSAKSA-N 1 1 384.328 4.250 20 0 GIADMO CC[C@@H](C)[N@@H+](CCCn1ccnc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000182673234 822347062 /nfs/dbraw/zinc/34/70/62/822347062.db2.gz ZCSATKJNNVIBCG-OAHLLOKOSA-N 1 1 382.430 4.031 20 0 GIADMO CC(C)Sc1ccc([C@H](C)NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000182693070 822352969 /nfs/dbraw/zinc/35/29/69/822352969.db2.gz WRUHNZHLGLTKDD-HQRMLTQVSA-N 1 1 375.582 4.374 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182701106 822355056 /nfs/dbraw/zinc/35/50/56/822355056.db2.gz MHQFGLFZMRZGOU-WBVHZDCISA-N 1 1 378.488 4.024 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)CCc3cc(Cl)cs3)CC2)C[C@H](C)O1 ZINC000178255649 822359345 /nfs/dbraw/zinc/35/93/45/822359345.db2.gz VDCCMQFRYITWFH-IYBDPMFKSA-N 1 1 399.000 4.072 20 0 GIADMO O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178259703 822360304 /nfs/dbraw/zinc/36/03/04/822360304.db2.gz JFQZWSAHUWGBDM-IBGZPJMESA-N 1 1 386.536 4.085 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000182750940 822362109 /nfs/dbraw/zinc/36/21/09/822362109.db2.gz ANLMIVHZCVZKRK-SFHVURJKSA-N 1 1 395.503 4.040 20 0 GIADMO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]Cc1nnc2n1CCCCC2 ZINC000178283745 822363129 /nfs/dbraw/zinc/36/31/29/822363129.db2.gz XDQZVMSZVJPDTF-CYBMUJFWSA-N 1 1 385.512 4.426 20 0 GIADMO Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]Cc1nnc3n1CCCCC3)CCC2 ZINC000178285276 822363417 /nfs/dbraw/zinc/36/34/17/822363417.db2.gz ODAGXYRJNANCDY-INIZCTEOSA-N 1 1 397.523 4.434 20 0 GIADMO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453462698 822369272 /nfs/dbraw/zinc/36/92/72/822369272.db2.gz JCEGQHPUDIUSRV-MMKMLUHNSA-N 1 1 397.567 4.027 20 0 GIADMO C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000178388731 822374211 /nfs/dbraw/zinc/37/42/11/822374211.db2.gz AGZBZNNNJGQWJO-SJORKVTESA-N 1 1 393.522 4.268 20 0 GIADMO C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840018 822376146 /nfs/dbraw/zinc/37/61/46/822376146.db2.gz VYXHVTUYPFZWKP-DLBZAZTESA-N 1 1 385.552 4.054 20 0 GIADMO Fc1cc2cccnc2c(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182842150 822376793 /nfs/dbraw/zinc/37/67/93/822376793.db2.gz AATLKNKXJOIMME-INIZCTEOSA-N 1 1 378.373 4.426 20 0 GIADMO C[C@H](NC(=O)N1CCC(OCC2CCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182843264 822376980 /nfs/dbraw/zinc/37/69/80/822376980.db2.gz VQRNCXVEBVUROJ-ICSRJNTNSA-N 1 1 391.600 4.020 20 0 GIADMO C[C@@H](Oc1cccc(F)c1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000045317412 822378468 /nfs/dbraw/zinc/37/84/68/822378468.db2.gz BAZJXIWXWHCVET-CQSZACIVSA-N 1 1 377.485 4.064 20 0 GIADMO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178432365 822378480 /nfs/dbraw/zinc/37/84/80/822378480.db2.gz JGDISQFFOQGFOS-QFBILLFUSA-N 1 1 397.519 4.209 20 0 GIADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1Cc1cccs1 ZINC000453502425 822379417 /nfs/dbraw/zinc/37/94/17/822379417.db2.gz RCXWMSRHWAHZQV-DLBZAZTESA-N 1 1 387.597 4.212 20 0 GIADMO C[C@@H](NC(=O)c1ccccc1C(=O)c1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182860103 822380724 /nfs/dbraw/zinc/38/07/24/822380724.db2.gz KSEFJJJPBVZGLJ-SJORKVTESA-N 1 1 396.556 4.362 20 0 GIADMO C[C@H](NC(=O)c1ccccc1C(=O)c1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182860080 822380766 /nfs/dbraw/zinc/38/07/66/822380766.db2.gz KSEFJJJPBVZGLJ-IRXDYDNUSA-N 1 1 396.556 4.362 20 0 GIADMO C[C@H](NC(=O)N1CCC(COc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182861113 822380965 /nfs/dbraw/zinc/38/09/65/822380965.db2.gz UGNYHXRYJTVCHE-FPOVZHCZSA-N 1 1 399.579 4.140 20 0 GIADMO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182866201 822381827 /nfs/dbraw/zinc/38/18/27/822381827.db2.gz SJQYHHUWOZBELX-HIFRSBDPSA-N 1 1 392.931 4.073 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000182875880 822383936 /nfs/dbraw/zinc/38/39/36/822383936.db2.gz WBXDZPAYMPVJHL-NRFANRHFSA-N 1 1 395.547 4.397 20 0 GIADMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000178482662 822383966 /nfs/dbraw/zinc/38/39/66/822383966.db2.gz QCFIJVAYPWDVSU-ZDUSSCGKSA-N 1 1 391.393 4.405 20 0 GIADMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000178482662 822383969 /nfs/dbraw/zinc/38/39/69/822383969.db2.gz QCFIJVAYPWDVSU-ZDUSSCGKSA-N 1 1 391.393 4.405 20 0 GIADMO COc1ccc(Cl)cc1CN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182878552 822384619 /nfs/dbraw/zinc/38/46/19/822384619.db2.gz OJSWIDCCVYTEFH-HOTGVXAUSA-N 1 1 393.959 4.143 20 0 GIADMO COc1ccc(Cl)cc1CN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182878417 822384717 /nfs/dbraw/zinc/38/47/17/822384717.db2.gz OJSWIDCCVYTEFH-HZPDHXFCSA-N 1 1 393.959 4.143 20 0 GIADMO Cc1cc(Br)c(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)s1 ZINC000453564938 822385198 /nfs/dbraw/zinc/38/51/98/822385198.db2.gz IDWIYNIGXISDBA-UHFFFAOYSA-N 1 1 381.339 4.473 20 0 GIADMO C[C@@H](C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000453574918 822386594 /nfs/dbraw/zinc/38/65/94/822386594.db2.gz NBCLQNXCPKRXME-KBPBESRZSA-N 1 1 397.466 4.112 20 0 GIADMO C[C@@H](C[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000453574918 822386600 /nfs/dbraw/zinc/38/66/00/822386600.db2.gz NBCLQNXCPKRXME-KBPBESRZSA-N 1 1 397.466 4.112 20 0 GIADMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000178525003 822387892 /nfs/dbraw/zinc/38/78/92/822387892.db2.gz GYHZMHMATSMKKQ-UHFFFAOYSA-N 1 1 392.499 4.109 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182905249 822389948 /nfs/dbraw/zinc/38/99/48/822389948.db2.gz ANFUFUVNRQWARI-RDJZCZTQSA-N 1 1 397.485 4.500 20 0 GIADMO COc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000178543170 822390093 /nfs/dbraw/zinc/39/00/93/822390093.db2.gz LLLNXJXRMNFSEO-SIKLNZKXSA-N 1 1 379.504 4.214 20 0 GIADMO CC(C)Oc1cccc(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182916901 822392285 /nfs/dbraw/zinc/39/22/85/822392285.db2.gz UWODIVLCIVKFFL-AZUAARDMSA-N 1 1 387.568 4.268 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1OCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182918891 822392746 /nfs/dbraw/zinc/39/27/46/822392746.db2.gz IGGUFHIPZOWPQM-GJZGRUSLSA-N 1 1 399.457 4.402 20 0 GIADMO CON1CCC([N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000453611154 822392878 /nfs/dbraw/zinc/39/28/78/822392878.db2.gz ZMDNMDPFVANKMA-UHFFFAOYSA-N 1 1 390.531 4.056 20 0 GIADMO C[C@@H](NC(=O)N(C)CCOc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182923063 822393467 /nfs/dbraw/zinc/39/34/67/822393467.db2.gz MOVXYUHVOXGNJS-IAGOWNOFSA-N 1 1 393.959 4.013 20 0 GIADMO Cc1cccc([C@@H](O)C[N@H+](Cc2nnc(-c3ccco3)o2)Cc2ccccc2)c1 ZINC000178578427 822393499 /nfs/dbraw/zinc/39/34/99/822393499.db2.gz RFBWUVXNHOQBFL-FQEVSTJZSA-N 1 1 389.455 4.374 20 0 GIADMO Cc1cccc([C@@H](O)C[N@@H+](Cc2nnc(-c3ccco3)o2)Cc2ccccc2)c1 ZINC000178578427 822393502 /nfs/dbraw/zinc/39/35/02/822393502.db2.gz RFBWUVXNHOQBFL-FQEVSTJZSA-N 1 1 389.455 4.374 20 0 GIADMO COc1ccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)cc1OCc1cccnc1 ZINC000453616920 822393816 /nfs/dbraw/zinc/39/38/16/822393816.db2.gz HQDCDMMXBDGPJU-UHFFFAOYSA-N 1 1 394.519 4.061 20 0 GIADMO CC(=O)Nc1cccc(-n2c(SCC[C@@H]3CCCC[N@@H+]3C)nnc2C2CC2)c1 ZINC000045537263 822394320 /nfs/dbraw/zinc/39/43/20/822394320.db2.gz GAZHPUZDFWMXEN-SFHVURJKSA-N 1 1 399.564 4.070 20 0 GIADMO COc1ccc(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1CO ZINC000182932054 822395362 /nfs/dbraw/zinc/39/53/62/822395362.db2.gz HPDHKHPHLLBMKQ-UHFFFAOYSA-N 1 1 378.875 4.057 20 0 GIADMO COc1cccc([C@@H](O)C[N@@H+](CCc2scnc2C)Cc2ccccc2)c1 ZINC000178620035 822396725 /nfs/dbraw/zinc/39/67/25/822396725.db2.gz CQFMEGSDLWIWOD-NRFANRHFSA-N 1 1 382.529 4.238 20 0 GIADMO C[C@@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182950045 822398471 /nfs/dbraw/zinc/39/84/71/822398471.db2.gz DIOQALTVRANOMY-HZPDHXFCSA-N 1 1 375.944 4.281 20 0 GIADMO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000178660254 822400525 /nfs/dbraw/zinc/40/05/25/822400525.db2.gz APQWPZMTXVQEDQ-ZDUSSCGKSA-N 1 1 391.518 4.016 20 0 GIADMO CCOC[C@@H](C)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000182968816 822401596 /nfs/dbraw/zinc/40/15/96/822401596.db2.gz VLGMRVJKGFVHAP-QGZVFWFLSA-N 1 1 384.520 4.099 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1N[C@@H](C)[C@H]1CCOC1)CC2 ZINC000182968973 822401607 /nfs/dbraw/zinc/40/16/07/822401607.db2.gz JDHXOZZCGKKLIJ-PXNSSMCTSA-N 1 1 396.531 4.099 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](C)c3cc(C)sc3C)nc2c1 ZINC000182987304 822405861 /nfs/dbraw/zinc/40/58/61/822405861.db2.gz OBIQOTPJRDSTKR-LBPRGKRZSA-N 1 1 378.519 4.151 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)nc2c1 ZINC000178729818 822405890 /nfs/dbraw/zinc/40/58/90/822405890.db2.gz WGIRWIYWHBECFU-WIYYLYMNSA-N 1 1 397.567 4.086 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)[nH]c2c1 ZINC000178729818 822405894 /nfs/dbraw/zinc/40/58/94/822405894.db2.gz WGIRWIYWHBECFU-WIYYLYMNSA-N 1 1 397.567 4.086 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)[nH]c2c1 ZINC000178729818 822405897 /nfs/dbraw/zinc/40/58/97/822405897.db2.gz WGIRWIYWHBECFU-WIYYLYMNSA-N 1 1 397.567 4.086 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2sc(C)nc2C)CC1 ZINC000178770543 822408558 /nfs/dbraw/zinc/40/85/58/822408558.db2.gz RQUXDZYHBPWTCT-LSDHHAIUSA-N 1 1 390.572 4.453 20 0 GIADMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178770543 822408559 /nfs/dbraw/zinc/40/85/59/822408559.db2.gz RQUXDZYHBPWTCT-LSDHHAIUSA-N 1 1 390.572 4.453 20 0 GIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2CCCOCC2)n1 ZINC000183003041 822409396 /nfs/dbraw/zinc/40/93/96/822409396.db2.gz MRUZWYRISIYWBT-INIZCTEOSA-N 1 1 382.533 4.401 20 0 GIADMO C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccc([S@](C)=O)cc1 ZINC000178796366 822410983 /nfs/dbraw/zinc/41/09/83/822410983.db2.gz CTLMUZCLGUXSMF-NDEPHWFRSA-N 1 1 389.524 4.371 20 0 GIADMO C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccc([S@](C)=O)cc1 ZINC000178796366 822410985 /nfs/dbraw/zinc/41/09/85/822410985.db2.gz CTLMUZCLGUXSMF-NDEPHWFRSA-N 1 1 389.524 4.371 20 0 GIADMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000183013174 822411345 /nfs/dbraw/zinc/41/13/45/822411345.db2.gz IPRQXADYOITIOB-AUUYWEPGSA-N 1 1 391.437 4.328 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000045782190 822413215 /nfs/dbraw/zinc/41/32/15/822413215.db2.gz VBCRMZVLAIITMS-UHFFFAOYSA-N 1 1 394.563 4.188 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000045789684 822413968 /nfs/dbraw/zinc/41/39/68/822413968.db2.gz YLBKGCPGCPJAFV-MRXNPFEDSA-N 1 1 387.499 4.235 20 0 GIADMO Cc1cccc2nc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cn21 ZINC000178826032 822414288 /nfs/dbraw/zinc/41/42/88/822414288.db2.gz YJPCLHMOOITRIE-DFNIBXOVSA-N 1 1 384.524 4.005 20 0 GIADMO O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178851218 822416397 /nfs/dbraw/zinc/41/63/97/822416397.db2.gz BVFIDNUAEDOSQZ-ZMYBRWDISA-N 1 1 389.540 4.021 20 0 GIADMO C[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104240 822424882 /nfs/dbraw/zinc/42/48/82/822424882.db2.gz MPGQOOMIHNDULT-WBVHZDCISA-N 1 1 399.560 4.281 20 0 GIADMO C/C(=C\C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1OC(F)F ZINC000178994585 822427548 /nfs/dbraw/zinc/42/75/48/822427548.db2.gz GYWNWBGEGOTJQS-JAHMBWEWSA-N 1 1 390.474 4.167 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000045973633 822428224 /nfs/dbraw/zinc/42/82/24/822428224.db2.gz HGUSJMFYXJPJHQ-CQSZACIVSA-N 1 1 385.537 4.112 20 0 GIADMO COc1cc(OC)c(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000045975000 822428257 /nfs/dbraw/zinc/42/82/57/822428257.db2.gz OCCITAJTZUUSKJ-AWEZNQCLSA-N 1 1 383.920 4.133 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(OCC#N)cc2)C1 ZINC000045977205 822428749 /nfs/dbraw/zinc/42/87/49/822428749.db2.gz DAQMWJJCEIAITO-SFHVURJKSA-N 1 1 392.503 4.143 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2nc3cc(Cl)ccc3s2)C1 ZINC000454170766 822435355 /nfs/dbraw/zinc/43/53/55/822435355.db2.gz YFFIRTNNSNPWNA-GUTXKFCHSA-N 1 1 377.941 4.427 20 0 GIADMO COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1C[NH+]1CCCCC1 ZINC000183179842 822436598 /nfs/dbraw/zinc/43/65/98/822436598.db2.gz SWNOYDQLTWPDTM-QGZVFWFLSA-N 1 1 383.492 4.440 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000454220512 822440419 /nfs/dbraw/zinc/44/04/19/822440419.db2.gz XWJADUQYQJRGCM-MRXNPFEDSA-N 1 1 375.822 4.308 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000046088859 822440708 /nfs/dbraw/zinc/44/07/08/822440708.db2.gz AMEZWJBAOXKGTD-LJQANCHMSA-N 1 1 385.533 4.006 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000046088859 822440709 /nfs/dbraw/zinc/44/07/09/822440709.db2.gz AMEZWJBAOXKGTD-LJQANCHMSA-N 1 1 385.533 4.006 20 0 GIADMO C[C@H](CNC(=S)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000046103892 822441228 /nfs/dbraw/zinc/44/12/28/822441228.db2.gz ZWZGOCPEOVVRGU-GFCCVEGCSA-N 1 1 397.516 4.083 20 0 GIADMO C[C@H](CNC(=S)Nc1ccc(OC(F)F)cc1)[N@H+]1CCc2sccc2C1 ZINC000046103892 822441231 /nfs/dbraw/zinc/44/12/31/822441231.db2.gz ZWZGOCPEOVVRGU-GFCCVEGCSA-N 1 1 397.516 4.083 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCC[C@H]1CC(=O)OC ZINC000179144687 822443206 /nfs/dbraw/zinc/44/32/06/822443206.db2.gz QAVIVJJNQFXYIS-INIZCTEOSA-N 1 1 394.943 4.211 20 0 GIADMO CC(=O)Nc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1C ZINC000046156336 822445511 /nfs/dbraw/zinc/44/55/11/822445511.db2.gz MVSQCYYDIYSHRU-MRXNPFEDSA-N 1 1 379.504 4.438 20 0 GIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cnn1-c1ccccn1 ZINC000046156330 822445607 /nfs/dbraw/zinc/44/56/07/822445607.db2.gz HWSCMXMTWCNTBN-KRWDZBQOSA-N 1 1 389.503 4.060 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccccc2N2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454262788 822445618 /nfs/dbraw/zinc/44/56/18/822445618.db2.gz JHYPXAMXLJNPTF-FQEVSTJZSA-N 1 1 392.547 4.273 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)CC[N@H+](C2CC2)C1 ZINC000454264892 822446076 /nfs/dbraw/zinc/44/60/76/822446076.db2.gz HKVGIIYNCBIGBA-NSHDSACASA-N 1 1 386.721 4.051 20 0 GIADMO O=C(OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)c1cccc(Cl)n1 ZINC000183236870 822446159 /nfs/dbraw/zinc/44/61/59/822446159.db2.gz BCFDPWHYFOAOOR-ZDUSSCGKSA-N 1 1 380.822 4.082 20 0 GIADMO C[C@@H](NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ncc(Br)s1 ZINC000179189063 822448881 /nfs/dbraw/zinc/44/88/81/822448881.db2.gz JYMSGAZJARQENX-NEPJUHHUSA-N 1 1 386.384 4.455 20 0 GIADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1coc(-c2cccs2)n1 ZINC000179229819 822454194 /nfs/dbraw/zinc/45/41/94/822454194.db2.gz QDAVBGBXBXPSKQ-UHFFFAOYSA-N 1 1 398.532 4.113 20 0 GIADMO C[C@@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230704 822454282 /nfs/dbraw/zinc/45/42/82/822454282.db2.gz PXFWEZJRFUAWDU-HIFRSBDPSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230704 822454284 /nfs/dbraw/zinc/45/42/84/822454284.db2.gz PXFWEZJRFUAWDU-HIFRSBDPSA-N 1 1 380.355 4.221 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1c(F)cccc1F ZINC000454303863 822454956 /nfs/dbraw/zinc/45/49/56/822454956.db2.gz FFPYPWJAQNNZAH-UHFFFAOYSA-N 1 1 375.463 4.147 20 0 GIADMO CO[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1(C)C ZINC000454306084 822455353 /nfs/dbraw/zinc/45/53/53/822455353.db2.gz HIQWQTLRPOHKNA-GHTZIAJQSA-N 1 1 387.568 4.018 20 0 GIADMO Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000454311238 822456299 /nfs/dbraw/zinc/45/62/99/822456299.db2.gz KWTVELBNIMEIKV-LJQANCHMSA-N 1 1 380.536 4.072 20 0 GIADMO C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000179245443 822456707 /nfs/dbraw/zinc/45/67/07/822456707.db2.gz MWBSGXLSEOGFRI-MRXNPFEDSA-N 1 1 393.369 4.105 20 0 GIADMO Cc1c([C@H](C)[NH2+]CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cnn1C ZINC000183311007 822457166 /nfs/dbraw/zinc/45/71/66/822457166.db2.gz YEFYWDXAXIMPIR-HNNXBMFYSA-N 1 1 397.548 4.067 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000454315648 822457195 /nfs/dbraw/zinc/45/71/95/822457195.db2.gz GXMUSQPMEWAWNY-HCXYKTFWSA-N 1 1 393.597 4.026 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000454324043 822458004 /nfs/dbraw/zinc/45/80/04/822458004.db2.gz VJJYGQVSBWWVNN-CRAIPNDOSA-N 1 1 385.474 4.399 20 0 GIADMO Cc1nn(C[N@H+](C)CCCCCc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000183322344 822458992 /nfs/dbraw/zinc/45/89/92/822458992.db2.gz OJCFAQRYOBFPGI-UHFFFAOYSA-N 1 1 383.452 4.057 20 0 GIADMO Cc1nn(C[N@@H+](C)CCCCCc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] ZINC000183322344 822458994 /nfs/dbraw/zinc/45/89/94/822458994.db2.gz OJCFAQRYOBFPGI-UHFFFAOYSA-N 1 1 383.452 4.057 20 0 GIADMO CS[C@@H](C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179268805 822459384 /nfs/dbraw/zinc/45/93/84/822459384.db2.gz ZIRMWZKBTRVKBU-AWEZNQCLSA-N 1 1 388.499 4.270 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 ZINC000179276072 822460084 /nfs/dbraw/zinc/46/00/84/822460084.db2.gz XXMHTMGOQQLMKC-UHFFFAOYSA-N 1 1 393.447 4.175 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000179275309 822460095 /nfs/dbraw/zinc/46/00/95/822460095.db2.gz PDLQWGORSKFDAG-KVSKMBFKSA-N 1 1 386.565 4.162 20 0 GIADMO COc1ccc(-c2nc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)cs2)cc1 ZINC000179282867 822460832 /nfs/dbraw/zinc/46/08/32/822460832.db2.gz SQDBRBHHHIPLBD-IEBWSBKVSA-N 1 1 390.574 4.305 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)cs2)cc1 ZINC000179282867 822460835 /nfs/dbraw/zinc/46/08/35/822460835.db2.gz SQDBRBHHHIPLBD-IEBWSBKVSA-N 1 1 390.574 4.305 20 0 GIADMO Cc1cc(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)ccn1 ZINC000454355869 822461280 /nfs/dbraw/zinc/46/12/80/822461280.db2.gz AUBDIXPHEFLXLE-UHFFFAOYSA-N 1 1 380.536 4.154 20 0 GIADMO CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1ccc2c(c1)OCO2 ZINC000179299370 822462621 /nfs/dbraw/zinc/46/26/21/822462621.db2.gz CSJIDKWWPHBWPB-UHFFFAOYSA-N 1 1 388.467 4.324 20 0 GIADMO COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000046344450 822463924 /nfs/dbraw/zinc/46/39/24/822463924.db2.gz RNOAEEJULAHRRK-FXAWDEMLSA-N 1 1 398.528 4.020 20 0 GIADMO COc1ccccc1COC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000046344454 822464094 /nfs/dbraw/zinc/46/40/94/822464094.db2.gz NWBRRMDLLFPGQX-PKOBYXMFSA-N 1 1 398.528 4.020 20 0 GIADMO CC[NH+](CC)Cc1cc([C@H](C)NCc2cn(C)nc2C(F)(F)F)ccc1OC ZINC000183371173 822465137 /nfs/dbraw/zinc/46/51/37/822465137.db2.gz ZVFOQVAKSJGRNU-AWEZNQCLSA-N 1 1 398.473 4.140 20 0 GIADMO C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000179324276 822466142 /nfs/dbraw/zinc/46/61/42/822466142.db2.gz BLSSKKNWAAIUTH-AVRDEDQJSA-N 1 1 392.499 4.154 20 0 GIADMO CC(C)Cn1ncc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C(F)F ZINC000179342537 822468382 /nfs/dbraw/zinc/46/83/82/822468382.db2.gz BBZVTSYEMJOGCV-INIZCTEOSA-N 1 1 398.885 4.163 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000183407330 822469683 /nfs/dbraw/zinc/46/96/83/822469683.db2.gz PTLBOWFRXVPYTN-YCRPNKLZSA-N 1 1 381.476 4.163 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)CC1 ZINC000046403981 822470332 /nfs/dbraw/zinc/47/03/32/822470332.db2.gz KWMHVVFDJWNKRO-UHFFFAOYSA-N 1 1 383.879 4.480 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000046404023 822470367 /nfs/dbraw/zinc/47/03/67/822470367.db2.gz YGJZALHMJOVCFY-UHFFFAOYSA-N 1 1 391.437 4.029 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000454413308 822471648 /nfs/dbraw/zinc/47/16/48/822471648.db2.gz LXKYBHBQNHBOFI-IBGZPJMESA-N 1 1 385.577 4.153 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000046436054 822472847 /nfs/dbraw/zinc/47/28/47/822472847.db2.gz LMGMMDQTKLGCDR-HOTGVXAUSA-N 1 1 395.528 4.182 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(F)c(Cl)cc3F)cc2)CC1 ZINC000179387658 822475246 /nfs/dbraw/zinc/47/52/46/822475246.db2.gz YPFQEBBEGBJXQR-UHFFFAOYSA-N 1 1 379.838 4.012 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000179387863 822475271 /nfs/dbraw/zinc/47/52/71/822475271.db2.gz PFCGPGVYZRJQDW-AWEZNQCLSA-N 1 1 392.931 4.113 20 0 GIADMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000179395416 822476622 /nfs/dbraw/zinc/47/66/22/822476622.db2.gz WDMKVGAUOIHYEV-UHFFFAOYSA-N 1 1 395.482 4.009 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3cccc(C)c3)CC2)c1 ZINC000179398335 822477119 /nfs/dbraw/zinc/47/71/19/822477119.db2.gz YCVMQGOQRLDASE-QGZVFWFLSA-N 1 1 377.488 4.070 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3cccc(C)c3)CC2)c1 ZINC000179398335 822477120 /nfs/dbraw/zinc/47/71/20/822477120.db2.gz YCVMQGOQRLDASE-QGZVFWFLSA-N 1 1 377.488 4.070 20 0 GIADMO COC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)C1CC1 ZINC000183453027 822477213 /nfs/dbraw/zinc/47/72/13/822477213.db2.gz FSZQDPZQYZMLOM-LJQANCHMSA-N 1 1 387.549 4.268 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1nc2c(s1)CCCC2 ZINC000179413082 822479075 /nfs/dbraw/zinc/47/90/75/822479075.db2.gz QXVAXVTWBNNDJV-INIZCTEOSA-N 1 1 379.529 4.083 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cc2cccnc21 ZINC000046502543 822479102 /nfs/dbraw/zinc/47/91/02/822479102.db2.gz FAJVRYGWANQUAM-UHFFFAOYSA-N 1 1 383.879 4.357 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(Cl)cc2cccnc21 ZINC000046502543 822479106 /nfs/dbraw/zinc/47/91/06/822479106.db2.gz FAJVRYGWANQUAM-UHFFFAOYSA-N 1 1 383.879 4.357 20 0 GIADMO Cc1cc2ncc([C@H](C)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435167 822482209 /nfs/dbraw/zinc/48/22/09/822482209.db2.gz FRFDIMGGWSMLTN-XPIZARPCSA-N 1 1 383.565 4.141 20 0 GIADMO Cc1cc2ncc([C@H](C)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c(C)n2n1 ZINC000179435167 822482211 /nfs/dbraw/zinc/48/22/11/822482211.db2.gz FRFDIMGGWSMLTN-XPIZARPCSA-N 1 1 383.565 4.141 20 0 GIADMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000179438170 822482947 /nfs/dbraw/zinc/48/29/47/822482947.db2.gz AXIUDWOAIPCLAS-SFHVURJKSA-N 1 1 388.462 4.094 20 0 GIADMO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC(F)F ZINC000183483630 822483239 /nfs/dbraw/zinc/48/32/39/822483239.db2.gz QDGIWSRDOIHOMZ-HUUCEWRRSA-N 1 1 381.467 4.371 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)c1 ZINC000183485089 822483547 /nfs/dbraw/zinc/48/35/47/822483547.db2.gz UYVQORIGRYPYEP-HKUYNNGSSA-N 1 1 379.504 4.078 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C1)C(=O)OC(C)(C)C ZINC000179450739 822484952 /nfs/dbraw/zinc/48/49/52/822484952.db2.gz SMGSHVJJZFPUOJ-CYBMUJFWSA-N 1 1 390.496 4.424 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1)C(=O)OC(C)(C)C ZINC000179449826 822484978 /nfs/dbraw/zinc/48/49/78/822484978.db2.gz KMWLOALQDLXQCN-IBGZPJMESA-N 1 1 381.520 4.437 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NCC3(c4ccccc4Cl)CC3)CC2)[nH+]c1 ZINC000179455555 822485759 /nfs/dbraw/zinc/48/57/59/822485759.db2.gz IZBSJJZDGWJTDR-UHFFFAOYSA-N 1 1 383.923 4.108 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N(C)Cc3ccc(Cl)c(F)c3)CC2)[nH+]c1 ZINC000179461625 822486329 /nfs/dbraw/zinc/48/63/29/822486329.db2.gz XBRUFGAKARJYDE-UHFFFAOYSA-N 1 1 375.875 4.058 20 0 GIADMO Cn1c(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)nc2cc(Cl)ccc21 ZINC000179463961 822486545 /nfs/dbraw/zinc/48/65/45/822486545.db2.gz BGFAQPJMZHMNDU-UHFFFAOYSA-N 1 1 391.849 4.300 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C2CC2)n1 ZINC000183505453 822487365 /nfs/dbraw/zinc/48/73/65/822487365.db2.gz YXSNNYJRCMWXLP-BMIGLBTASA-N 1 1 390.509 4.268 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000183506020 822487423 /nfs/dbraw/zinc/48/74/23/822487423.db2.gz QIYJHDRIPKETMI-CYBMUJFWSA-N 1 1 394.874 4.402 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183511776 822488119 /nfs/dbraw/zinc/48/81/19/822488119.db2.gz MEHIJXVRISJPPB-ZBFHGGJFSA-N 1 1 382.508 4.480 20 0 GIADMO CCN(c1ccc(NC(=O)C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1)C(C)C ZINC000183516330 822488805 /nfs/dbraw/zinc/48/88/05/822488805.db2.gz YIUBPDNVQVHIGD-HXUWFJFHSA-N 1 1 386.565 4.366 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C)[C@@H](n4ccnc4)C3)cs2)cc1OC ZINC000179481118 822489031 /nfs/dbraw/zinc/48/90/31/822489031.db2.gz UAAQIGQXFWUITB-YJBOKZPZSA-N 1 1 398.532 4.107 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@@H](n4ccnc4)C3)cs2)cc1OC ZINC000179481118 822489036 /nfs/dbraw/zinc/48/90/36/822489036.db2.gz UAAQIGQXFWUITB-YJBOKZPZSA-N 1 1 398.532 4.107 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000179490962 822490292 /nfs/dbraw/zinc/49/02/92/822490292.db2.gz YYRJFJQSXMHJIR-INIZCTEOSA-N 1 1 395.532 4.194 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cs2)c1 ZINC000179490962 822490294 /nfs/dbraw/zinc/49/02/94/822490294.db2.gz YYRJFJQSXMHJIR-INIZCTEOSA-N 1 1 395.532 4.194 20 0 GIADMO FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179494730 822490765 /nfs/dbraw/zinc/49/07/65/822490765.db2.gz JDOIPRDUAKNSRH-HNNXBMFYSA-N 1 1 380.414 4.003 20 0 GIADMO FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179494730 822490769 /nfs/dbraw/zinc/49/07/69/822490769.db2.gz JDOIPRDUAKNSRH-HNNXBMFYSA-N 1 1 380.414 4.003 20 0 GIADMO FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179494730 822490773 /nfs/dbraw/zinc/49/07/73/822490773.db2.gz JDOIPRDUAKNSRH-HNNXBMFYSA-N 1 1 380.414 4.003 20 0 GIADMO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(OC(F)F)c1 ZINC000046609383 822491744 /nfs/dbraw/zinc/49/17/44/822491744.db2.gz UULWRZFVELHMGE-CVEARBPZSA-N 1 1 383.483 4.160 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)C2)C1 ZINC000454530771 822492244 /nfs/dbraw/zinc/49/22/44/822492244.db2.gz SEWMFYCPXDAUNI-QHCPKHFHSA-N 1 1 397.494 4.354 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(C)c1 ZINC000179501197 822492311 /nfs/dbraw/zinc/49/23/11/822492311.db2.gz LOPSEIQWDOKERN-IBGZPJMESA-N 1 1 395.551 4.206 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(C)c1 ZINC000179501197 822492312 /nfs/dbraw/zinc/49/23/12/822492312.db2.gz LOPSEIQWDOKERN-IBGZPJMESA-N 1 1 395.551 4.206 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(C)c1 ZINC000179501197 822492313 /nfs/dbraw/zinc/49/23/13/822492313.db2.gz LOPSEIQWDOKERN-IBGZPJMESA-N 1 1 395.551 4.206 20 0 GIADMO C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000046613271 822492531 /nfs/dbraw/zinc/49/25/31/822492531.db2.gz HXPYWVFBEHNSEZ-DNVCBOLYSA-N 1 1 389.446 4.047 20 0 GIADMO C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000046613271 822492533 /nfs/dbraw/zinc/49/25/33/822492533.db2.gz HXPYWVFBEHNSEZ-DNVCBOLYSA-N 1 1 389.446 4.047 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Br)C2CC2)n1 ZINC000183548783 822493301 /nfs/dbraw/zinc/49/33/01/822493301.db2.gz WOJQCKXZMFTNST-NHYWBVRUSA-N 1 1 394.338 4.282 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2Br)C2CC2)n1 ZINC000183548800 822493416 /nfs/dbraw/zinc/49/34/16/822493416.db2.gz WOJQCKXZMFTNST-IAQYHMDHSA-N 1 1 394.338 4.282 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183557016 822494427 /nfs/dbraw/zinc/49/44/27/822494427.db2.gz WFNFUSFIPFPDPR-QAPCUYQASA-N 1 1 375.563 4.090 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)CC[N@H+]1Cc1ccccc1 ZINC000179521437 822496370 /nfs/dbraw/zinc/49/63/70/822496370.db2.gz RUGDVKHZOFAPDF-VGSWGCGISA-N 1 1 391.490 4.499 20 0 GIADMO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046642952 822497113 /nfs/dbraw/zinc/49/71/13/822497113.db2.gz JNTVAGDNRKAORL-SLFFLAALSA-N 1 1 380.532 4.047 20 0 GIADMO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046642952 822497115 /nfs/dbraw/zinc/49/71/15/822497115.db2.gz JNTVAGDNRKAORL-SLFFLAALSA-N 1 1 380.532 4.047 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000183610814 822501030 /nfs/dbraw/zinc/50/10/30/822501030.db2.gz RSOBQSFRCKBRAA-RBUKOAKNSA-N 1 1 396.531 4.115 20 0 GIADMO CSCC1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000454594248 822502963 /nfs/dbraw/zinc/50/29/63/822502963.db2.gz LWAOWBGVZHUSEE-GHOZHQTGSA-N 1 1 389.609 4.261 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1OCC(=O)N(C)C ZINC000179558953 822503505 /nfs/dbraw/zinc/50/35/05/822503505.db2.gz JOPZBBSAUVQMHK-KBXCAEBGSA-N 1 1 376.447 4.234 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CSc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000454603215 822504242 /nfs/dbraw/zinc/50/42/42/822504242.db2.gz RLOZVSHLFIADDC-MISYRCLQSA-N 1 1 395.572 4.228 20 0 GIADMO OCCO[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000179577347 822506057 /nfs/dbraw/zinc/50/60/57/822506057.db2.gz MCPGGYWOADTKMJ-CYBMUJFWSA-N 1 1 387.332 4.090 20 0 GIADMO OCCO[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000179577347 822506059 /nfs/dbraw/zinc/50/60/59/822506059.db2.gz MCPGGYWOADTKMJ-CYBMUJFWSA-N 1 1 387.332 4.090 20 0 GIADMO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1cccc(OC(F)F)c1 ZINC000179578323 822506392 /nfs/dbraw/zinc/50/63/92/822506392.db2.gz DEAYHZCZXACPHL-GFCCVEGCSA-N 1 1 378.810 4.373 20 0 GIADMO CC(C)C(=O)N1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179607016 822511557 /nfs/dbraw/zinc/51/15/57/822511557.db2.gz OFEWEEPIXATTML-GOSISDBHSA-N 1 1 379.342 4.017 20 0 GIADMO CC(C)C(=O)N1CCC[N@H+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179607016 822511559 /nfs/dbraw/zinc/51/15/59/822511559.db2.gz OFEWEEPIXATTML-GOSISDBHSA-N 1 1 379.342 4.017 20 0 GIADMO CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H](C)c1cccc(OC)c1 ZINC000046751063 822512862 /nfs/dbraw/zinc/51/28/62/822512862.db2.gz GPLUHKCYUHHXKG-OALUTQOASA-N 1 1 375.557 4.442 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046751114 822512871 /nfs/dbraw/zinc/51/28/71/822512871.db2.gz UHHJFFQBXIPQDA-OALUTQOASA-N 1 1 398.551 4.371 20 0 GIADMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)CC3 ZINC000046751918 822513123 /nfs/dbraw/zinc/51/31/23/822513123.db2.gz WAUYENRDAVWMGS-SFHVURJKSA-N 1 1 382.552 4.056 20 0 GIADMO Cc1c(NC(=O)NCCCC[N@H+](C)C2CC2)cccc1C(=O)Nc1ccccc1 ZINC000454659329 822513520 /nfs/dbraw/zinc/51/35/20/822513520.db2.gz VGKSQZWTSBAXGK-UHFFFAOYSA-N 1 1 394.519 4.243 20 0 GIADMO O=C(NC1CC[NH+](CCOc2ccc(F)cc2Cl)CC1)C1CCCCC1 ZINC000179620435 822514412 /nfs/dbraw/zinc/51/44/12/822514412.db2.gz YAVHIPRDNHNHAK-UHFFFAOYSA-N 1 1 382.907 4.019 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000046765730 822515115 /nfs/dbraw/zinc/51/51/15/822515115.db2.gz GCEVOGCPJPQAHU-UHFFFAOYSA-N 1 1 399.491 4.199 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000046765730 822515118 /nfs/dbraw/zinc/51/51/18/822515118.db2.gz GCEVOGCPJPQAHU-UHFFFAOYSA-N 1 1 399.491 4.199 20 0 GIADMO CC[C@H](C)NC(=O)CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183718005 822516135 /nfs/dbraw/zinc/51/61/35/822516135.db2.gz OHLSVRJLAOHUED-SCLBCKFNSA-N 1 1 379.298 4.026 20 0 GIADMO COc1cc(OC)cc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000046781317 822516798 /nfs/dbraw/zinc/51/67/98/822516798.db2.gz JNMFNORFIOIEKH-KRWDZBQOSA-N 1 1 382.504 4.008 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000183725451 822517340 /nfs/dbraw/zinc/51/73/40/822517340.db2.gz SPCYBJWUJBFKRY-XHDPSFHLSA-N 1 1 393.409 4.024 20 0 GIADMO COc1ccc([C@@H](CNC(=O)c2scnc2C2CCCC2)[NH+]2CCCC2)cc1 ZINC000183749516 822521938 /nfs/dbraw/zinc/52/19/38/822521938.db2.gz IHMPXOGGEXTKHP-LJQANCHMSA-N 1 1 399.560 4.376 20 0 GIADMO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000179664290 822522851 /nfs/dbraw/zinc/52/28/51/822522851.db2.gz UAUCAMXYFSRRKZ-GOSISDBHSA-N 1 1 385.895 4.234 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(F)ccc3F)CC[N@H+]2C2CC2)c1 ZINC000183767866 822525485 /nfs/dbraw/zinc/52/54/85/822525485.db2.gz LQUJTLFTKURFEH-QUCCMNQESA-N 1 1 387.430 4.073 20 0 GIADMO Cc1cc2cc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H](C)C3)ccc2[nH]1 ZINC000454737320 822525562 /nfs/dbraw/zinc/52/55/62/822525562.db2.gz TULDSTWUGUBATM-KRWDZBQOSA-N 1 1 376.504 4.462 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)NCCCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454741501 822526317 /nfs/dbraw/zinc/52/63/17/822526317.db2.gz SXFYBLJYPSDSHD-CJNGLKHVSA-N 1 1 391.865 4.207 20 0 GIADMO OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Br)cn1 ZINC000179686720 822527150 /nfs/dbraw/zinc/52/71/50/822527150.db2.gz DUNKVBHMIQAGJJ-UHFFFAOYSA-N 1 1 390.108 4.145 20 0 GIADMO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Br)cn1 ZINC000179686720 822527154 /nfs/dbraw/zinc/52/71/54/822527154.db2.gz DUNKVBHMIQAGJJ-UHFFFAOYSA-N 1 1 390.108 4.145 20 0 GIADMO COc1c(C)cnc(C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)c1C ZINC000183782423 822527845 /nfs/dbraw/zinc/52/78/45/822527845.db2.gz HABMUDOBDODGBX-UHFFFAOYSA-N 1 1 377.488 4.313 20 0 GIADMO COc1c(C)cnc(C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)c1C ZINC000183782423 822527847 /nfs/dbraw/zinc/52/78/47/822527847.db2.gz HABMUDOBDODGBX-UHFFFAOYSA-N 1 1 377.488 4.313 20 0 GIADMO COc1c(C)c[nH+]c(CN(C)Cc2cccc(OCc3ccccn3)c2)c1C ZINC000183782423 822527848 /nfs/dbraw/zinc/52/78/48/822527848.db2.gz HABMUDOBDODGBX-UHFFFAOYSA-N 1 1 377.488 4.313 20 0 GIADMO C[C@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000454752899 822528360 /nfs/dbraw/zinc/52/83/60/822528360.db2.gz XTRQFLMJBIZHGI-CQSZACIVSA-N 1 1 377.410 4.090 20 0 GIADMO COC(=O)c1oc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cc1C ZINC000179693023 822528648 /nfs/dbraw/zinc/52/86/48/822528648.db2.gz YUWPJMAMYVDLCT-INIZCTEOSA-N 1 1 380.444 4.199 20 0 GIADMO C[C@H](CNC(=O)N[C@H]1CCSc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000046908411 822529123 /nfs/dbraw/zinc/52/91/23/822529123.db2.gz PSJMORVBKLZWEM-PBHICJAKSA-N 1 1 387.574 4.031 20 0 GIADMO C[C@H](CNC(=O)N[C@H]1CCSc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000046908411 822529127 /nfs/dbraw/zinc/52/91/27/822529127.db2.gz PSJMORVBKLZWEM-PBHICJAKSA-N 1 1 387.574 4.031 20 0 GIADMO CCCn1ncc(NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1C1CC1 ZINC000454761997 822529543 /nfs/dbraw/zinc/52/95/43/822529543.db2.gz CGODFTCFNXDRDO-MRXNPFEDSA-N 1 1 397.523 4.208 20 0 GIADMO Cc1cc(C[N@@H+](C)Cc2ccc(Br)s2)ccc1-n1cncn1 ZINC000179695961 822529527 /nfs/dbraw/zinc/52/95/27/822529527.db2.gz HIMXECXIIVEYHG-UHFFFAOYSA-N 1 1 377.311 4.032 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc1)[NH+]1CCOCC1 ZINC000454763339 822529737 /nfs/dbraw/zinc/52/97/37/822529737.db2.gz DZOSBPYKYDVSHX-UTKZUKDTSA-N 1 1 395.503 4.432 20 0 GIADMO C[C@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454766965 822530204 /nfs/dbraw/zinc/53/02/04/822530204.db2.gz KOHODNUOCJTBQG-RCZSKKKRSA-N 1 1 393.531 4.427 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000046935586 822532836 /nfs/dbraw/zinc/53/28/36/822532836.db2.gz BGQZYGOLLSGICO-UHFFFAOYSA-N 1 1 386.923 4.460 20 0 GIADMO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)c1ccc(F)cc1)c1ccsc1 ZINC000046945787 822533571 /nfs/dbraw/zinc/53/35/71/822533571.db2.gz ZBIHHAYCGOMCOA-GOSISDBHSA-N 1 1 376.497 4.049 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000183848287 822535464 /nfs/dbraw/zinc/53/54/64/822535464.db2.gz HTHJNEHRVIUDHK-KRWDZBQOSA-N 1 1 387.911 4.080 20 0 GIADMO CCOc1c(Cl)cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000046988854 822536120 /nfs/dbraw/zinc/53/61/20/822536120.db2.gz XXIIASHWXAGNHK-HNNXBMFYSA-N 1 1 382.932 4.132 20 0 GIADMO COc1cccc(-c2nc(C[NH2+][C@@H](CCCO)c3ccccc3)cs2)c1OC ZINC000179731380 822537248 /nfs/dbraw/zinc/53/72/48/822537248.db2.gz MVDJJXHDYWWOFL-IBGZPJMESA-N 1 1 398.528 4.431 20 0 GIADMO COc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000047009844 822537319 /nfs/dbraw/zinc/53/73/19/822537319.db2.gz KPIQVDAASPVAHK-UZLBHIALSA-N 1 1 399.560 4.050 20 0 GIADMO COc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000047009844 822537321 /nfs/dbraw/zinc/53/73/21/822537321.db2.gz KPIQVDAASPVAHK-UZLBHIALSA-N 1 1 399.560 4.050 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCOc2ccc(F)cc2)c1 ZINC000047008161 822537368 /nfs/dbraw/zinc/53/73/68/822537368.db2.gz DCAQQGBYQNJBMW-UHFFFAOYSA-N 1 1 396.466 4.394 20 0 GIADMO CC[C@@H](CNc1ccccc1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000454810364 822538621 /nfs/dbraw/zinc/53/86/21/822538621.db2.gz NNDUPDIVLZFGBX-ICSRJNTNSA-N 1 1 396.535 4.092 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000179749484 822542226 /nfs/dbraw/zinc/54/22/26/822542226.db2.gz WUXWLXAJHKQNET-UHFFFAOYSA-N 1 1 394.412 4.373 20 0 GIADMO COc1cc(-c2nc(C[NH2+][C@@H](CCCO)c3ccccc3)cs2)ccc1O ZINC000179753260 822543396 /nfs/dbraw/zinc/54/33/96/822543396.db2.gz DGTFKQBTRPDDEV-SFHVURJKSA-N 1 1 384.501 4.128 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(F)F)cc1 ZINC000183924389 822547618 /nfs/dbraw/zinc/54/76/18/822547618.db2.gz PLDLFYXWZGJEIR-UHFFFAOYSA-N 1 1 375.419 4.043 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C(F)F)cc1 ZINC000183924389 822547621 /nfs/dbraw/zinc/54/76/21/822547621.db2.gz PLDLFYXWZGJEIR-UHFFFAOYSA-N 1 1 375.419 4.043 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2)cs1 ZINC000047142969 822548069 /nfs/dbraw/zinc/54/80/69/822548069.db2.gz KHCPPXUGCYOHRP-OAHLLOKOSA-N 1 1 389.590 4.348 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454863634 822548121 /nfs/dbraw/zinc/54/81/21/822548121.db2.gz APEWPABSWBPJLE-FHWLQOOXSA-N 1 1 397.485 4.319 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000047187697 822552483 /nfs/dbraw/zinc/55/24/83/822552483.db2.gz JICNFXBIDJCWMT-QGZVFWFLSA-N 1 1 399.560 4.385 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC000047214976 822554993 /nfs/dbraw/zinc/55/49/93/822554993.db2.gz VYPBZWRGWYIULX-LJQANCHMSA-N 1 1 393.531 4.181 20 0 GIADMO CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)c1nc(-c2nc[nH]n2)no1 ZINC000179803875 822556204 /nfs/dbraw/zinc/55/62/04/822556204.db2.gz JQZLYGJDQVGHRM-RISCZKNCSA-N 1 1 394.401 4.312 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)c(Br)c1 ZINC000183973186 822556304 /nfs/dbraw/zinc/55/63/04/822556304.db2.gz ZFUFJUQWHMETNK-OLZOCXBDSA-N 1 1 396.354 4.277 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c2nccs2)c(Br)c1 ZINC000183973186 822556305 /nfs/dbraw/zinc/55/63/05/822556305.db2.gz ZFUFJUQWHMETNK-OLZOCXBDSA-N 1 1 396.354 4.277 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183974412 822556371 /nfs/dbraw/zinc/55/63/71/822556371.db2.gz UQFGIVZGFFWHAR-LBPRGKRZSA-N 1 1 381.929 4.274 20 0 GIADMO C[C@H](C[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1)c1nccs1 ZINC000183983958 822558005 /nfs/dbraw/zinc/55/80/05/822558005.db2.gz LDNXMPFZWDXSII-LLVKDONJSA-N 1 1 393.310 4.191 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1)c1nccs1 ZINC000183983958 822558007 /nfs/dbraw/zinc/55/80/07/822558007.db2.gz LDNXMPFZWDXSII-LLVKDONJSA-N 1 1 393.310 4.191 20 0 GIADMO CC(C)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000183993303 822559855 /nfs/dbraw/zinc/55/98/55/822559855.db2.gz FUMKEMTUVJQGNT-NJYVYQBISA-N 1 1 393.616 4.265 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(-c3ccccc3)cc2)on1 ZINC000047273708 822560650 /nfs/dbraw/zinc/56/06/50/822560650.db2.gz RHVNCKROWTYBPP-UNMCSNQZSA-N 1 1 378.472 4.227 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(-n4cc[nH+]c4C)nc3)s2)o1 ZINC000047275521 822561034 /nfs/dbraw/zinc/56/10/34/822561034.db2.gz PKGIPPKJWDVXCH-UHFFFAOYSA-N 1 1 379.445 4.161 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047287096 822562189 /nfs/dbraw/zinc/56/21/89/822562189.db2.gz LBMYDVMSGQIKPD-HUUCEWRRSA-N 1 1 394.302 4.313 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1nccs1 ZINC000184007182 822562734 /nfs/dbraw/zinc/56/27/34/822562734.db2.gz CPCZJLKJVYSAOB-HUUCEWRRSA-N 1 1 375.563 4.096 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1nccs1 ZINC000184007182 822562736 /nfs/dbraw/zinc/56/27/36/822562736.db2.gz CPCZJLKJVYSAOB-HUUCEWRRSA-N 1 1 375.563 4.096 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Br)c(Cl)c3)C2)C1 ZINC000454995625 822567635 /nfs/dbraw/zinc/56/76/35/822567635.db2.gz FAGVRUOLNSVGJN-INIZCTEOSA-N 1 1 386.721 4.052 20 0 GIADMO Cc1scc(C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1C ZINC000179874419 822569368 /nfs/dbraw/zinc/56/93/68/822569368.db2.gz SXOQBKKYTNCGNW-UHFFFAOYSA-N 1 1 385.533 4.350 20 0 GIADMO C[C@@H](C(=O)N(Cc1cccc2ccccc21)c1ccccc1)N1CC[NH+](C)CC1 ZINC000184048168 822570467 /nfs/dbraw/zinc/57/04/67/822570467.db2.gz YYGIEWSSZKZIJZ-FQEVSTJZSA-N 1 1 387.527 4.009 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1C ZINC000455026342 822574001 /nfs/dbraw/zinc/57/40/01/822574001.db2.gz RQLXVOVDVGBBQV-QGZVFWFLSA-N 1 1 379.504 4.183 20 0 GIADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000179908474 822575018 /nfs/dbraw/zinc/57/50/18/822575018.db2.gz RQTDDKYEHWORNY-QFBILLFUSA-N 1 1 390.487 4.119 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000047398105 822575066 /nfs/dbraw/zinc/57/50/66/822575066.db2.gz TWBNTPCNYRMLGS-UHFFFAOYSA-N 1 1 390.531 4.259 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ncccc2C(F)(F)F)C1 ZINC000179910295 822575102 /nfs/dbraw/zinc/57/51/02/822575102.db2.gz WUKBMBOGNWAZCK-OAHLLOKOSA-N 1 1 391.437 4.262 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccnc3C(F)(F)F)cc2)C1 ZINC000179911271 822575439 /nfs/dbraw/zinc/57/54/39/822575439.db2.gz NCFBZYCWPBDTGK-OAHLLOKOSA-N 1 1 391.437 4.262 20 0 GIADMO COc1cc2c(cc1NC(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1)oc1ccccc12 ZINC000047405710 822575891 /nfs/dbraw/zinc/57/58/91/822575891.db2.gz DJFXHVVXSGBAMR-HNNXBMFYSA-N 1 1 394.471 4.034 20 0 GIADMO Cc1ocnc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184121556 822581692 /nfs/dbraw/zinc/58/16/92/822581692.db2.gz XKCLUGVNFMZAHE-NVXWUHKLSA-N 1 1 379.863 4.119 20 0 GIADMO Cc1ocnc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184121556 822581696 /nfs/dbraw/zinc/58/16/96/822581696.db2.gz XKCLUGVNFMZAHE-NVXWUHKLSA-N 1 1 379.863 4.119 20 0 GIADMO C[C@H](F)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000455060630 822582518 /nfs/dbraw/zinc/58/25/18/822582518.db2.gz SXIPHESEDQNWIA-JLJPHGGASA-N 1 1 389.437 4.136 20 0 GIADMO CCC[N@@H+](C)[C@H](CNC(=O)N(C)Cc1conc1CC)c1ccc(Cl)cc1 ZINC000455059573 822582539 /nfs/dbraw/zinc/58/25/39/822582539.db2.gz YSNVKZHSNNPVPU-LJQANCHMSA-N 1 1 392.931 4.115 20 0 GIADMO Cc1nnc(C[NH2+][C@@](C)(Cc2cccc(Br)c2)c2ccccc2)n1C ZINC000179959356 822585843 /nfs/dbraw/zinc/58/58/43/822585843.db2.gz JIILRGKWILPNOX-FQEVSTJZSA-N 1 1 399.336 4.134 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@H]2C2CC2)cc1)C[C@H]1CCCCO1 ZINC000455079586 822586359 /nfs/dbraw/zinc/58/63/59/822586359.db2.gz SYWMSTLJQTXMNL-YADHBBJMSA-N 1 1 385.552 4.482 20 0 GIADMO COc1cc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc(OC)c1OC ZINC000047522237 822586860 /nfs/dbraw/zinc/58/68/60/822586860.db2.gz GDYGSRJMVIUWMR-MRXNPFEDSA-N 1 1 398.503 4.339 20 0 GIADMO CCNC(=O)N1CCc2ccc(N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cc21 ZINC000179973164 822588542 /nfs/dbraw/zinc/58/85/42/822588542.db2.gz AWTCRMXFUCNIRA-MRXNPFEDSA-N 1 1 389.503 4.446 20 0 GIADMO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccccc2Br)cc1 ZINC000179983694 822590603 /nfs/dbraw/zinc/59/06/03/822590603.db2.gz SACOWDIECXBJBZ-HXUWFJFHSA-N 1 1 395.300 4.427 20 0 GIADMO COc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1OC(C)C ZINC000184190244 822593539 /nfs/dbraw/zinc/59/35/39/822593539.db2.gz IKQFONRIYSQDSV-KRWDZBQOSA-N 1 1 377.529 4.116 20 0 GIADMO CC1(F)CC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000455130860 822593985 /nfs/dbraw/zinc/59/39/85/822593985.db2.gz DJIMEQFGIWYRFF-UHFFFAOYSA-N 1 1 388.314 4.148 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NC(C)(C)c3cccc(Cl)c3F)CC2)[nH+]c1 ZINC000184214515 822597314 /nfs/dbraw/zinc/59/73/14/822597314.db2.gz PECIJDXGMAFDDJ-UHFFFAOYSA-N 1 1 389.902 4.450 20 0 GIADMO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180023215 822598695 /nfs/dbraw/zinc/59/86/95/822598695.db2.gz RIZFCZHTSWDKEI-BEFAXECRSA-N 1 1 396.922 4.241 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)NCCCn3cc[nH+]c3C)cc2)cs1 ZINC000047676922 822599369 /nfs/dbraw/zinc/59/93/69/822599369.db2.gz RGXIFMAIPQZQAJ-UHFFFAOYSA-N 1 1 386.546 4.069 20 0 GIADMO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1nc2ccc(Cl)cc2n1C ZINC000180025027 822599382 /nfs/dbraw/zinc/59/93/82/822599382.db2.gz NMGQPADVASEGFH-HNNXBMFYSA-N 1 1 386.927 4.018 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3nc4ccc(Cl)cc4n3C)cn2)n1 ZINC000180025455 822599636 /nfs/dbraw/zinc/59/96/36/822599636.db2.gz ZWSHTCKKBJONAE-HNNXBMFYSA-N 1 1 394.910 4.275 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)c(OC)c1OC ZINC000180027326 822600058 /nfs/dbraw/zinc/60/00/58/822600058.db2.gz KYKBUWYMGZWSNG-GFCCVEGCSA-N 1 1 389.883 4.103 20 0 GIADMO Cc1csc([C@@H](C)[NH2+]CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000184235800 822600695 /nfs/dbraw/zinc/60/06/95/822600695.db2.gz PYWLYJKYXCNCNT-CYBMUJFWSA-N 1 1 397.466 4.312 20 0 GIADMO O=C(NCC[NH2+][C@H](c1ccccc1)c1ccccc1Br)c1ccco1 ZINC000180032559 822601423 /nfs/dbraw/zinc/60/14/23/822601423.db2.gz ILKOYVCSHIZQQK-LJQANCHMSA-N 1 1 399.288 4.151 20 0 GIADMO COC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000047713295 822602115 /nfs/dbraw/zinc/60/21/15/822602115.db2.gz ZYUIEBFOEXVEBE-UHFFFAOYSA-N 1 1 384.480 4.027 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1nc2ccccc2n1C ZINC000180037698 822602209 /nfs/dbraw/zinc/60/22/09/822602209.db2.gz BGZFGEFTGWSVKW-MRXNPFEDSA-N 1 1 385.471 4.071 20 0 GIADMO CC[C@@H](C)Sc1ccc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000184248382 822602610 /nfs/dbraw/zinc/60/26/10/822602610.db2.gz FVXFRKZSBGCQMR-QZTJIDSGSA-N 1 1 392.613 4.033 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000047715301 822602999 /nfs/dbraw/zinc/60/29/99/822602999.db2.gz YCOKUVWMYIZKMG-UHFFFAOYSA-N 1 1 394.519 4.083 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000047715414 822603089 /nfs/dbraw/zinc/60/30/89/822603089.db2.gz VUUYBZWDXQTAFU-UHFFFAOYSA-N 1 1 388.502 4.262 20 0 GIADMO Cc1ccc(CCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(C)c1 ZINC000047715559 822603253 /nfs/dbraw/zinc/60/32/53/822603253.db2.gz CGQYKYIUDWJNBF-UHFFFAOYSA-N 1 1 386.486 4.295 20 0 GIADMO COc1cc(OC)c([C@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1Cl ZINC000180046183 822603713 /nfs/dbraw/zinc/60/37/13/822603713.db2.gz RHZWXOLVQFDAIT-ZDUSSCGKSA-N 1 1 391.899 4.070 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1Br ZINC000455195298 822605407 /nfs/dbraw/zinc/60/54/07/822605407.db2.gz PAXXHQMLXGBKSI-CYBMUJFWSA-N 1 1 394.357 4.404 20 0 GIADMO C[C@H](Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180061023 822606456 /nfs/dbraw/zinc/60/64/56/822606456.db2.gz FXGOKBWNQZLADP-LBPRGKRZSA-N 1 1 387.480 4.166 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c3nc(C)cs3)ccc2c1 ZINC000184274445 822607109 /nfs/dbraw/zinc/60/71/09/822607109.db2.gz OXUHJVJKCLJFCW-CVEARBPZSA-N 1 1 397.544 4.311 20 0 GIADMO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797852 822609655 /nfs/dbraw/zinc/60/96/55/822609655.db2.gz ZTVAFCDPHCPJET-HRCADAONSA-N 1 1 392.490 4.038 20 0 GIADMO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797995 822609936 /nfs/dbraw/zinc/60/99/36/822609936.db2.gz NECSDOSTKQLSSZ-OAHLLOKOSA-N 1 1 392.490 4.039 20 0 GIADMO CCC[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)C(=O)N1CCc2sccc2C1 ZINC000180084975 822612032 /nfs/dbraw/zinc/61/20/32/822612032.db2.gz AAEVSLVUKHUUMI-CRAIPNDOSA-N 1 1 396.560 4.039 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(Cl)c1 ZINC000455227051 822612545 /nfs/dbraw/zinc/61/25/45/822612545.db2.gz SLSBIAGUIKDUSZ-HNNXBMFYSA-N 1 1 379.932 4.465 20 0 GIADMO CCc1ccc(C(C)(C)[NH2+]Cc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 ZINC000180100106 822615168 /nfs/dbraw/zinc/61/51/68/822615168.db2.gz GEVLUZIKBDUHTI-UHFFFAOYSA-N 1 1 386.517 4.209 20 0 GIADMO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(OC)cc1 ZINC000180108755 822617006 /nfs/dbraw/zinc/61/70/06/822617006.db2.gz QPHAWJQUDOXAPE-LAUBAEHRSA-N 1 1 386.561 4.279 20 0 GIADMO COc1ccc2oc([C@H](C)[NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)c(C)c2c1 ZINC000184337199 822617842 /nfs/dbraw/zinc/61/78/42/822617842.db2.gz LMJJKISCQKBSAV-YCRPNKLZSA-N 1 1 378.472 4.420 20 0 GIADMO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000455252946 822618243 /nfs/dbraw/zinc/61/82/43/822618243.db2.gz DZGQWKHWFFEFJZ-LAQRGFTBSA-N 1 1 387.490 4.156 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1cc(C)sc1C)[NH+](C)C ZINC000047914554 822619123 /nfs/dbraw/zinc/61/91/23/822619123.db2.gz LWILHIILVIATDS-KSSFIOAISA-N 1 1 375.538 4.037 20 0 GIADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(Br)s1 ZINC000180121201 822619491 /nfs/dbraw/zinc/61/94/91/822619491.db2.gz YAUQOTQOUHASAD-RVSPLBMKSA-N 1 1 393.350 4.176 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000180123463 822620095 /nfs/dbraw/zinc/62/00/95/822620095.db2.gz XUECIOMRYKMVGX-PKTZIBPZSA-N 1 1 399.494 4.114 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000047944950 822621316 /nfs/dbraw/zinc/62/13/16/822621316.db2.gz GOXKJFFAQJPMFL-MRXNPFEDSA-N 1 1 376.501 4.031 20 0 GIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000047949014 822622141 /nfs/dbraw/zinc/62/21/41/822622141.db2.gz BKFPVWRJJMRKJU-GOSISDBHSA-N 1 1 394.519 4.243 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)NCc1ncc(-c2ccccc2)o1)c1ccccc1Cl ZINC000047994176 822624594 /nfs/dbraw/zinc/62/45/94/822624594.db2.gz CEDKANANSNSIKO-GOSISDBHSA-N 1 1 398.894 4.097 20 0 GIADMO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000180145085 822625938 /nfs/dbraw/zinc/62/59/38/822625938.db2.gz CVGQBNFXQYWAHC-BLLLJJGKSA-N 1 1 399.869 4.422 20 0 GIADMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)C1 ZINC000048047621 822626654 /nfs/dbraw/zinc/62/66/54/822626654.db2.gz RJHILPZUOIDYFR-SFHVURJKSA-N 1 1 397.588 4.204 20 0 GIADMO Cc1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(Br)c1 ZINC000048052605 822627444 /nfs/dbraw/zinc/62/74/44/822627444.db2.gz HOEAJFAZRYVIOF-UHFFFAOYSA-N 1 1 382.346 4.342 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1nc(C)cs1 ZINC000184399668 822628494 /nfs/dbraw/zinc/62/84/94/822628494.db2.gz BJBTZKVJQJPEGP-LBPRGKRZSA-N 1 1 389.855 4.386 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1nc(C)cs1 ZINC000184408444 822629576 /nfs/dbraw/zinc/62/95/76/822629576.db2.gz ACHFAPLSONWIOP-JGVFFNPUSA-N 1 1 393.381 4.215 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)c1nc(C)cs1 ZINC000184412535 822630337 /nfs/dbraw/zinc/63/03/37/822630337.db2.gz HODWASKJEOSLFV-IEBWSBKVSA-N 1 1 375.538 4.014 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OCc3ccccc3)nc2)CC1 ZINC000048085706 822630690 /nfs/dbraw/zinc/63/06/90/822630690.db2.gz CYLTWMXJAAKRKM-UHFFFAOYSA-N 1 1 396.535 4.245 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCC(=O)c2ccc(C)cc2)cc1F ZINC000184417646 822631219 /nfs/dbraw/zinc/63/12/19/822631219.db2.gz RTFQUMYFNWSCLF-UHFFFAOYSA-N 1 1 393.462 4.298 20 0 GIADMO Cc1c(-c2cc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4s3)on2)cnn1C ZINC000184419935 822631685 /nfs/dbraw/zinc/63/16/85/822631685.db2.gz VYQAYDIGFUUFHU-GOSISDBHSA-N 1 1 379.489 4.330 20 0 GIADMO Cc1c(-c2cc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4s3)on2)cnn1C ZINC000184419935 822631687 /nfs/dbraw/zinc/63/16/87/822631687.db2.gz VYQAYDIGFUUFHU-GOSISDBHSA-N 1 1 379.489 4.330 20 0 GIADMO CCC(C)(C)c1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000455312136 822632708 /nfs/dbraw/zinc/63/27/08/822632708.db2.gz WOPBRGZSNWJPRC-WCRBZPEASA-N 1 1 387.568 4.480 20 0 GIADMO Cc1c(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cccc1N(C)C ZINC000180182946 822634153 /nfs/dbraw/zinc/63/41/53/822634153.db2.gz IILVHSPBYJRKQO-UHFFFAOYSA-N 1 1 394.563 4.233 20 0 GIADMO O=C(Nc1nc(Cc2ccccc2)cs1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000184435573 822634639 /nfs/dbraw/zinc/63/46/39/822634639.db2.gz CNFUGBFOWRQANK-UHFFFAOYSA-N 1 1 384.549 4.216 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(OC(C)C)cc1C)[NH+](C)C ZINC000048120986 822635358 /nfs/dbraw/zinc/63/53/58/822635358.db2.gz UZWNPAQBMGZFOB-HXUWFJFHSA-N 1 1 385.508 4.215 20 0 GIADMO Cc1c(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cccc1N(C)C ZINC000180190369 822635920 /nfs/dbraw/zinc/63/59/20/822635920.db2.gz WHTHPXSKEUIACI-GOSISDBHSA-N 1 1 380.536 4.189 20 0 GIADMO O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000048138654 822637626 /nfs/dbraw/zinc/63/76/26/822637626.db2.gz RZKPRQVEVPHCGA-UHFFFAOYSA-N 1 1 396.510 4.166 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000184453303 822637882 /nfs/dbraw/zinc/63/78/82/822637882.db2.gz DSNDXXBIRGVNIU-ZDUSSCGKSA-N 1 1 384.398 4.400 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000184453303 822637884 /nfs/dbraw/zinc/63/78/84/822637884.db2.gz DSNDXXBIRGVNIU-ZDUSSCGKSA-N 1 1 384.398 4.400 20 0 GIADMO CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000455353099 822638946 /nfs/dbraw/zinc/63/89/46/822638946.db2.gz ZADMTPOBCKJCSV-MRXNPFEDSA-N 1 1 385.512 4.062 20 0 GIADMO Fc1cccc(OC[C@H](NCc2cnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000180207146 822639376 /nfs/dbraw/zinc/63/93/76/822639376.db2.gz MKTIDBBFZFONCE-SFHVURJKSA-N 1 1 379.357 4.478 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(CN[C@@H](c3ccccc3)c3ccccn3)c2)CCO1 ZINC000180230892 822644387 /nfs/dbraw/zinc/64/43/87/822644387.db2.gz IFTZYEKSDKMIOK-NLFFAJNJSA-N 1 1 387.527 4.182 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(CN[C@@H](c3ccccc3)c3ccccn3)c2)CCO1 ZINC000180230892 822644389 /nfs/dbraw/zinc/64/43/89/822644389.db2.gz IFTZYEKSDKMIOK-NLFFAJNJSA-N 1 1 387.527 4.182 20 0 GIADMO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)c2)CCO1 ZINC000180230892 822644392 /nfs/dbraw/zinc/64/43/92/822644392.db2.gz IFTZYEKSDKMIOK-NLFFAJNJSA-N 1 1 387.527 4.182 20 0 GIADMO CC(C)(O)C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000180232236 822644586 /nfs/dbraw/zinc/64/45/86/822644586.db2.gz OTMHANLVRKMNHC-UHFFFAOYSA-N 1 1 381.303 4.205 20 0 GIADMO CC(C)(O)C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000180232236 822644588 /nfs/dbraw/zinc/64/45/88/822644588.db2.gz OTMHANLVRKMNHC-UHFFFAOYSA-N 1 1 381.303 4.205 20 0 GIADMO Cc1ccc(S(=O)(=O)CCC[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)cc1 ZINC000184495673 822645473 /nfs/dbraw/zinc/64/54/73/822645473.db2.gz VSCRSNAGCAUNSY-OAHLLOKOSA-N 1 1 380.579 4.264 20 0 GIADMO CCCOc1c(Br)cc(C[NH2+][C@@H](CCO)c2ccco2)cc1OC ZINC000184506398 822647221 /nfs/dbraw/zinc/64/72/21/822647221.db2.gz RRDXAGMNTAFKEQ-HNNXBMFYSA-N 1 1 398.297 4.053 20 0 GIADMO OCC[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccco1 ZINC000184517130 822649382 /nfs/dbraw/zinc/64/93/82/822649382.db2.gz QHEOLXBPEBLWBA-HIFRSBDPSA-N 1 1 397.315 4.365 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(-c4cnco4)c3)cc2)C[C@@H](C)O1 ZINC000048282342 822651547 /nfs/dbraw/zinc/65/15/47/822651547.db2.gz OJFPTBYISDGGJC-IAGOWNOFSA-N 1 1 391.471 4.203 20 0 GIADMO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1nc(-c2ccccc2)cs1 ZINC000184537214 822653335 /nfs/dbraw/zinc/65/33/35/822653335.db2.gz GSTIHHNYNVFQSA-YJBOKZPZSA-N 1 1 379.485 4.486 20 0 GIADMO CCC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455440139 822654359 /nfs/dbraw/zinc/65/43/59/822654359.db2.gz AVISMFVCLISVDU-FBVQUNGASA-N 1 1 383.458 4.471 20 0 GIADMO C[C@@H](Oc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)C(F)(F)F ZINC000455451725 822657062 /nfs/dbraw/zinc/65/70/62/822657062.db2.gz UGJDVSZTVKLTBV-LSDHHAIUSA-N 1 1 399.457 4.354 20 0 GIADMO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000048450807 822663008 /nfs/dbraw/zinc/66/30/08/822663008.db2.gz OMASQMJQONIZLP-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000048450807 822663013 /nfs/dbraw/zinc/66/30/13/822663013.db2.gz OMASQMJQONIZLP-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cccc(-c4ncco4)c3C)CC2)c1 ZINC000455500301 822666544 /nfs/dbraw/zinc/66/65/44/822666544.db2.gz FVNUDLCVEWIWSY-UHFFFAOYSA-N 1 1 390.487 4.308 20 0 GIADMO CC[N@@H+](CCNC(=O)Nc1ccc(-c2ccncc2)c(C)c1)CCC(F)(F)F ZINC000455507750 822668288 /nfs/dbraw/zinc/66/82/88/822668288.db2.gz NDKNBQPMDIRASN-UHFFFAOYSA-N 1 1 394.441 4.453 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000184633983 822668945 /nfs/dbraw/zinc/66/89/45/822668945.db2.gz YKSFPXWXAKQRNN-UHFFFAOYSA-N 1 1 395.128 4.314 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000184672073 822673599 /nfs/dbraw/zinc/67/35/99/822673599.db2.gz XBQMATSWGULTAL-LAUBAEHRSA-N 1 1 396.560 4.245 20 0 GIADMO C[C@H](c1cnccn1)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000184684114 822676208 /nfs/dbraw/zinc/67/62/08/822676208.db2.gz DQXDNSFIOYCSSG-OAHLLOKOSA-N 1 1 378.442 4.153 20 0 GIADMO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)CC1CCN(c2ccccn2)CC1 ZINC000184696630 822678086 /nfs/dbraw/zinc/67/80/86/822678086.db2.gz SAXHWQNGCLTQEZ-UHFFFAOYSA-N 1 1 389.927 4.188 20 0 GIADMO COc1ccc(OC)c(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000048686398 822678139 /nfs/dbraw/zinc/67/81/39/822678139.db2.gz GXHBNBPLTJZQBJ-UHFFFAOYSA-N 1 1 385.895 4.450 20 0 GIADMO C[C@@H](C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)CN1CCN(C)CC1 ZINC000180439798 822682385 /nfs/dbraw/zinc/68/23/85/822682385.db2.gz RVFKBJWTGOOXBU-HTAPYJJXSA-N 1 1 389.946 4.042 20 0 GIADMO COc1ccccc1C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000048786276 822683318 /nfs/dbraw/zinc/68/33/18/822683318.db2.gz LZQJILXKYFJHMK-GFCCVEGCSA-N 1 1 378.266 4.080 20 0 GIADMO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455616059 822684864 /nfs/dbraw/zinc/68/48/64/822684864.db2.gz OVQSEKIIDZRDFQ-OAHLLOKOSA-N 1 1 385.474 4.152 20 0 GIADMO COc1ccc([C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)c2ccc(F)cc2)cc1 ZINC000455616091 822684894 /nfs/dbraw/zinc/68/48/94/822684894.db2.gz OXORKZQOUAPLLY-QFIPXVFZSA-N 1 1 399.510 4.097 20 0 GIADMO COc1ccc([C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)c2ccc(F)cc2)cc1 ZINC000455616088 822684981 /nfs/dbraw/zinc/68/49/81/822684981.db2.gz OXORKZQOUAPLLY-JOCHJYFZSA-N 1 1 399.510 4.097 20 0 GIADMO COc1ccc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(OC)c1 ZINC000048828714 822685189 /nfs/dbraw/zinc/68/51/89/822685189.db2.gz KCEQBCGAAYUXHA-KRWDZBQOSA-N 1 1 399.535 4.104 20 0 GIADMO Cn1c(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)nc2ccccc21 ZINC000184747657 822685625 /nfs/dbraw/zinc/68/56/25/822685625.db2.gz XVQPCBICSUUVGH-UHFFFAOYSA-N 1 1 387.531 4.405 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000455622664 822685751 /nfs/dbraw/zinc/68/57/51/822685751.db2.gz UZKIYTVZLFTKQI-UHFFFAOYSA-N 1 1 395.469 4.379 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[N@H+]1C ZINC000455633251 822687424 /nfs/dbraw/zinc/68/74/24/822687424.db2.gz CCUOPBCBHQUBPI-CMPLNLGQSA-N 1 1 379.810 4.185 20 0 GIADMO OCc1cccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 ZINC000180473871 822688216 /nfs/dbraw/zinc/68/82/16/822688216.db2.gz MKJQRIGIZOAPNL-QHCPKHFHSA-N 1 1 395.886 4.483 20 0 GIADMO COc1cc(Br)ccc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000184777010 822689389 /nfs/dbraw/zinc/68/93/89/822689389.db2.gz YUXQQOKACAPPPR-UHFFFAOYSA-N 1 1 386.293 4.432 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000180502461 822692022 /nfs/dbraw/zinc/69/20/22/822692022.db2.gz XSTZGNAPOPUPDZ-QFIPXVFZSA-N 1 1 388.515 4.393 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000180502461 822692023 /nfs/dbraw/zinc/69/20/23/822692023.db2.gz XSTZGNAPOPUPDZ-QFIPXVFZSA-N 1 1 388.515 4.393 20 0 GIADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180529385 822696913 /nfs/dbraw/zinc/69/69/13/822696913.db2.gz OACCWULHNSTZSA-GFCCVEGCSA-N 1 1 393.247 4.072 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)NCC1(c2ccccc2)CC1 ZINC000180547963 822700064 /nfs/dbraw/zinc/70/00/64/822700064.db2.gz BWAWMVKNVPYYPS-GOSISDBHSA-N 1 1 394.412 4.257 20 0 GIADMO COc1cc(F)cc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000180557347 822702016 /nfs/dbraw/zinc/70/20/16/822702016.db2.gz ZYZYBRSLVIJEDP-UWJYYQICSA-N 1 1 399.510 4.029 20 0 GIADMO COc1cc(F)cc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000180557326 822702105 /nfs/dbraw/zinc/70/21/05/822702105.db2.gz ZYZYBRSLVIJEDP-UTKZUKDTSA-N 1 1 399.510 4.029 20 0 GIADMO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180561566 822702925 /nfs/dbraw/zinc/70/29/25/822702925.db2.gz WRGNBNLLMUPJDI-KRWDZBQOSA-N 1 1 382.357 4.250 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180566522 822703552 /nfs/dbraw/zinc/70/35/52/822703552.db2.gz XVVBUZANGMSTII-KRWDZBQOSA-N 1 1 397.372 4.006 20 0 GIADMO CCC[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180566557 822703737 /nfs/dbraw/zinc/70/37/37/822703737.db2.gz DOWOOILKFLNWHO-OGNFBWPZSA-N 1 1 396.934 4.183 20 0 GIADMO CN(Cc1ccccc1F)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180568372 822703961 /nfs/dbraw/zinc/70/39/61/822703961.db2.gz DAAUNHQCUFKSRL-KRWDZBQOSA-N 1 1 386.364 4.207 20 0 GIADMO COc1ccc(C[N@H+](C)Cc2cc(Br)cn2C)cc1OC(F)F ZINC000180614726 822712945 /nfs/dbraw/zinc/71/29/45/822712945.db2.gz YGQHAGBPRDTNQN-UHFFFAOYSA-N 1 1 389.240 4.030 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)cc1OC(F)F ZINC000180614726 822712948 /nfs/dbraw/zinc/71/29/48/822712948.db2.gz YGQHAGBPRDTNQN-UHFFFAOYSA-N 1 1 389.240 4.030 20 0 GIADMO COCOc1ccc(OC)cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000180620916 822714132 /nfs/dbraw/zinc/71/41/32/822714132.db2.gz FZVWNTSEBRXBIC-ICSRJNTNSA-N 1 1 389.492 4.139 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nncn4C(C)C)C3)co2)cc1 ZINC000180621454 822714333 /nfs/dbraw/zinc/71/43/33/822714333.db2.gz UTOFXPQKAPMAIK-GOSISDBHSA-N 1 1 395.507 4.292 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nncn4C(C)C)C3)co2)cc1 ZINC000180621454 822714335 /nfs/dbraw/zinc/71/43/35/822714335.db2.gz UTOFXPQKAPMAIK-GOSISDBHSA-N 1 1 395.507 4.292 20 0 GIADMO CN1CCCc2cc(NC(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000050059745 822716678 /nfs/dbraw/zinc/71/66/78/822716678.db2.gz GZDANOLITOGGTG-QGZVFWFLSA-N 1 1 398.576 4.164 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000184947187 822717060 /nfs/dbraw/zinc/71/70/60/822717060.db2.gz NIZXVFQELPCHDH-OAHLLOKOSA-N 1 1 395.297 4.363 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000184947187 822717061 /nfs/dbraw/zinc/71/70/61/822717061.db2.gz NIZXVFQELPCHDH-OAHLLOKOSA-N 1 1 395.297 4.363 20 0 GIADMO Cc1sc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)nc1-c1ccc(Cl)cc1 ZINC000184954017 822717892 /nfs/dbraw/zinc/71/78/92/822717892.db2.gz ZDYNPFLDRNUKAK-VIFPVBQESA-N 1 1 391.846 4.101 20 0 GIADMO Cc1cc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)no1 ZINC000184953888 822717912 /nfs/dbraw/zinc/71/79/12/822717912.db2.gz HKWTTYUOSPBEOK-LLVKDONJSA-N 1 1 390.896 4.358 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)[C@@H](C)C1 ZINC000455744251 822718422 /nfs/dbraw/zinc/71/84/22/822718422.db2.gz DUSSYLHHZVIZEI-JSGCOSHPSA-N 1 1 386.309 4.091 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(F)cc2Cl)cc1OC(F)F ZINC000184959366 822718585 /nfs/dbraw/zinc/71/85/85/822718585.db2.gz VSEOOWHRPVSPAP-OAHLLOKOSA-N 1 1 389.801 4.255 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)C[C@H]1C ZINC000455753406 822720050 /nfs/dbraw/zinc/72/00/50/822720050.db2.gz PPCCFRIIDADIMB-CHWSQXEVSA-N 1 1 386.309 4.233 20 0 GIADMO CCSCc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)no1 ZINC000184976112 822720549 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20 0 GIADMO Cc1cc(CNC(=O)Nc2ccc(C(=O)C(C)C)cc2)cc(N2CCCC2)[nH+]1 ZINC000455804901 822729363 /nfs/dbraw/zinc/72/93/63/822729363.db2.gz WMJMBIFBJMPKFA-UHFFFAOYSA-N 1 1 380.492 4.151 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)c1nccs1 ZINC000185059801 822730908 /nfs/dbraw/zinc/73/09/08/822730908.db2.gz JHJWJIIXMSCROZ-RBUKOAKNSA-N 1 1 387.549 4.336 20 0 GIADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(-c2ccccc2)o1 ZINC000185072866 822732983 /nfs/dbraw/zinc/73/29/83/822732983.db2.gz OPUCHJIMBMAZRX-UTKZUKDTSA-N 1 1 389.499 4.433 20 0 GIADMO CCCn1ncc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)c1C1CC1 ZINC000455838852 822734746 /nfs/dbraw/zinc/73/47/46/822734746.db2.gz WMEFMCUBBLAFQK-MRXNPFEDSA-N 1 1 375.561 4.193 20 0 GIADMO CCCn1ncc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C1CC1 ZINC000455838925 822734959 /nfs/dbraw/zinc/73/49/59/822734959.db2.gz WOPPBKWSBSTYHX-SFHVURJKSA-N 1 1 389.931 4.248 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 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TWMHNECIYOVSJP-KUHUBIRLSA-N 1 1 392.421 4.171 20 0 GIADMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000174340120 822774417 /nfs/dbraw/zinc/77/44/17/822774417.db2.gz RHVAPBSUFYKAOD-WDEREUQCSA-N 1 1 386.315 4.198 20 0 GIADMO C[C@H](CCOc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000174389782 822782329 /nfs/dbraw/zinc/78/23/29/822782329.db2.gz OFRYZVVWJZADAB-OPYAIIAOSA-N 1 1 386.561 4.352 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(Cl)cc1F ZINC000174393464 822783156 /nfs/dbraw/zinc/78/31/56/822783156.db2.gz DBOFGCASFFQTIA-MRXNPFEDSA-N 1 1 375.875 4.465 20 0 GIADMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cc(-c4cnn(C)c4C)no3)oc21 ZINC000185439485 822784142 /nfs/dbraw/zinc/78/41/42/822784142.db2.gz ZHFFWQRFHLUFCN-CYBMUJFWSA-N 1 1 380.448 4.379 20 0 GIADMO C[NH+](C)Cc1cccc(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC000174404627 822785638 /nfs/dbraw/zinc/78/56/38/822785638.db2.gz IFUNXYOQVVEPQY-OAQYLSRUSA-N 1 1 388.939 4.249 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccccc1C(F)(F)F ZINC000052035342 822788816 /nfs/dbraw/zinc/78/88/16/822788816.db2.gz CMMBRMCIAWGQOQ-INIZCTEOSA-N 1 1 380.385 4.490 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccccc1C(F)(F)F ZINC000052035342 822788820 /nfs/dbraw/zinc/78/88/20/822788820.db2.gz CMMBRMCIAWGQOQ-INIZCTEOSA-N 1 1 380.385 4.490 20 0 GIADMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)N(Cc1ccco1)CC(F)(F)F ZINC000052076995 822789778 /nfs/dbraw/zinc/78/97/78/822789778.db2.gz FJBIMZCHEYXWQG-UHFFFAOYSA-N 1 1 384.398 4.208 20 0 GIADMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)N(Cc1ccco1)CC(F)(F)F ZINC000052076995 822789779 /nfs/dbraw/zinc/78/97/79/822789779.db2.gz FJBIMZCHEYXWQG-UHFFFAOYSA-N 1 1 384.398 4.208 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185487437 822789825 /nfs/dbraw/zinc/78/98/25/822789825.db2.gz PCSBQGYCZQSPOU-GOSISDBHSA-N 1 1 380.532 4.122 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185487454 822789878 /nfs/dbraw/zinc/78/98/78/822789878.db2.gz PCSBQGYCZQSPOU-SFHVURJKSA-N 1 1 380.532 4.122 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC1CCC(C(F)(F)F)CC1 ZINC000185489514 822790158 /nfs/dbraw/zinc/79/01/58/822790158.db2.gz BFUBBLNRTQKVDG-UHFFFAOYSA-N 1 1 399.457 4.274 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(Cn2nc(-c3ccccc3Cl)oc2=S)CC1 ZINC000052087405 822790348 /nfs/dbraw/zinc/79/03/48/822790348.db2.gz NDHHHSRLJUMZMJ-UHFFFAOYSA-N 1 1 380.945 4.290 20 0 GIADMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3Br)CC2)CC1 ZINC000052157759 822791501 /nfs/dbraw/zinc/79/15/01/822791501.db2.gz ULRTVZAUUANLJU-UHFFFAOYSA-N 1 1 397.332 4.059 20 0 GIADMO CC1CCN(C(=O)C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000052157885 822791689 /nfs/dbraw/zinc/79/16/89/822791689.db2.gz TXSKAXRLEFQBHJ-UHFFFAOYSA-N 1 1 383.561 4.281 20 0 GIADMO CCc1onc(C)c1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000185506009 822791759 /nfs/dbraw/zinc/79/17/59/822791759.db2.gz BBAVQVZIOVQOML-UHFFFAOYSA-N 1 1 387.483 4.073 20 0 GIADMO COc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)c(OC)c1 ZINC000174452149 822791814 /nfs/dbraw/zinc/79/18/14/822791814.db2.gz MKGSSAIYHBDJMV-UHFFFAOYSA-N 1 1 380.488 4.219 20 0 GIADMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000052161919 822791807 /nfs/dbraw/zinc/79/18/07/822791807.db2.gz OWPCZLUQONRPKT-HNNXBMFYSA-N 1 1 385.895 4.098 20 0 GIADMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1ccccc1N1CCCC1=O ZINC000052161919 822791809 /nfs/dbraw/zinc/79/18/09/822791809.db2.gz OWPCZLUQONRPKT-HNNXBMFYSA-N 1 1 385.895 4.098 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccccc3C)n2)c(OC)c1 ZINC000052212894 822793244 /nfs/dbraw/zinc/79/32/44/822793244.db2.gz FTKQQYIXYYVHDC-LJQANCHMSA-N 1 1 379.460 4.399 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(OC(C)C)cc1F)[NH+](C)C ZINC000052267600 822795284 /nfs/dbraw/zinc/79/52/84/822795284.db2.gz ZHKRISOZTMNZAE-LJQANCHMSA-N 1 1 389.471 4.046 20 0 GIADMO Cn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000052315019 822795900 /nfs/dbraw/zinc/79/59/00/822795900.db2.gz WRHARIDCOMTALW-OAHLLOKOSA-N 1 1 382.895 4.077 20 0 GIADMO Cn1c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000052315019 822795902 /nfs/dbraw/zinc/79/59/02/822795902.db2.gz WRHARIDCOMTALW-OAHLLOKOSA-N 1 1 382.895 4.077 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)/C(=C/c2ccccc2OC)c2ccccc2)C1 ZINC000174498786 822797198 /nfs/dbraw/zinc/79/71/98/822797198.db2.gz IWKLXTZCIBPZEP-QZMYASAMSA-N 1 1 378.516 4.036 20 0 GIADMO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(C)c2ccccc12 ZINC000185569824 822797492 /nfs/dbraw/zinc/79/74/92/822797492.db2.gz GAZVYBDXDXVDLK-FPOVZHCZSA-N 1 1 389.543 4.262 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)C1 ZINC000174509206 822798753 /nfs/dbraw/zinc/79/87/53/822798753.db2.gz DZPUJIBKGPGTBK-MRXNPFEDSA-N 1 1 389.590 4.158 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1C1CC1 ZINC000456329710 822798956 /nfs/dbraw/zinc/79/89/56/822798956.db2.gz IURSWYCLFZBTCZ-RBUKOAKNSA-N 1 1 394.563 4.326 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000174512819 822799380 /nfs/dbraw/zinc/79/93/80/822799380.db2.gz RWGANWMBKZRTGH-CYBMUJFWSA-N 1 1 397.466 4.243 20 0 GIADMO Cc1ccc(F)c(CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000456336041 822799754 /nfs/dbraw/zinc/79/97/54/822799754.db2.gz USJFIJVAZYCIFN-IBGZPJMESA-N 1 1 383.511 4.300 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)C1 ZINC000174517978 822799957 /nfs/dbraw/zinc/79/99/57/822799957.db2.gz DLSCECQDZOALPJ-QGZVFWFLSA-N 1 1 386.923 4.186 20 0 GIADMO CCc1nsc(N2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)CC2)n1 ZINC000174520777 822800225 /nfs/dbraw/zinc/80/02/25/822800225.db2.gz JBNOALPXCMLRDG-UHFFFAOYSA-N 1 1 395.532 4.000 20 0 GIADMO Cc1[nH]c2ccccc2c1C1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000052458196 822800392 /nfs/dbraw/zinc/80/03/92/822800392.db2.gz NWGIFOIFURZRDL-UHFFFAOYSA-N 1 1 382.529 4.130 20 0 GIADMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000052466458 822800762 /nfs/dbraw/zinc/80/07/62/822800762.db2.gz VGVNAQZSUAWIJC-KRWDZBQOSA-N 1 1 378.476 4.019 20 0 GIADMO C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456349122 822800906 /nfs/dbraw/zinc/80/09/06/822800906.db2.gz VPQKYTREQACUFP-OALUTQOASA-N 1 1 396.506 4.015 20 0 GIADMO C[C@@H]1CN(C(=O)c2cccn2Cc2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456348404 822800990 /nfs/dbraw/zinc/80/09/90/822800990.db2.gz VHAZEWOTTMVINJ-IBGZPJMESA-N 1 1 393.556 4.192 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000174536587 822802605 /nfs/dbraw/zinc/80/26/05/822802605.db2.gz VTGXBZUZOWEGOZ-SFHVURJKSA-N 1 1 377.488 4.472 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000174536587 822802608 /nfs/dbraw/zinc/80/26/08/822802608.db2.gz VTGXBZUZOWEGOZ-SFHVURJKSA-N 1 1 377.488 4.472 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000174553926 822804435 /nfs/dbraw/zinc/80/44/35/822804435.db2.gz GDSHKDAPPWVQOJ-CYBMUJFWSA-N 1 1 381.293 4.140 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000174553926 822804437 /nfs/dbraw/zinc/80/44/37/822804437.db2.gz GDSHKDAPPWVQOJ-CYBMUJFWSA-N 1 1 381.293 4.140 20 0 GIADMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)cc1 ZINC000185647354 822806428 /nfs/dbraw/zinc/80/64/28/822806428.db2.gz KAYSECTXQNPCOX-INIZCTEOSA-N 1 1 396.512 4.137 20 0 GIADMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCc2ccc(F)c(F)c21 ZINC000456441488 822807279 /nfs/dbraw/zinc/80/72/79/822807279.db2.gz QZPHKCLKNSROPY-MRXNPFEDSA-N 1 1 385.458 4.361 20 0 GIADMO CCCOc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174579892 822807682 /nfs/dbraw/zinc/80/76/82/822807682.db2.gz WUEPWCGUGYXKLE-FQEVSTJZSA-N 1 1 381.520 4.461 20 0 GIADMO C[C@@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663411 822808209 /nfs/dbraw/zinc/80/82/09/822808209.db2.gz PLGIATJFHKNLQM-CTNGQTDRSA-N 1 1 385.596 4.056 20 0 GIADMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1F ZINC000052724366 822808540 /nfs/dbraw/zinc/80/85/40/822808540.db2.gz NDVCNTYRHACDRT-UHFFFAOYSA-N 1 1 380.385 4.239 20 0 GIADMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000052746255 822809120 /nfs/dbraw/zinc/80/91/20/822809120.db2.gz DHOPRJMRBLPKEK-UHFFFAOYSA-N 1 1 375.472 4.044 20 0 GIADMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1C(F)(F)F ZINC000185677981 822809161 /nfs/dbraw/zinc/80/91/61/822809161.db2.gz URZOVTGVGAFFBK-JYJNAYRXSA-N 1 1 397.485 4.275 20 0 GIADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CCCc1ccccc1 ZINC000052802897 822810924 /nfs/dbraw/zinc/81/09/24/822810924.db2.gz HQUNMABAWXSIRN-LLVKDONJSA-N 1 1 386.364 4.274 20 0 GIADMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc2ccccc2c1 ZINC000185697926 822811187 /nfs/dbraw/zinc/81/11/87/822811187.db2.gz HTPHQLYVOGISER-WFXMLNOXSA-N 1 1 379.548 4.409 20 0 GIADMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804451 822811162 /nfs/dbraw/zinc/81/11/62/822811162.db2.gz QIRJQYCMNZPFBR-OAHLLOKOSA-N 1 1 399.379 4.368 20 0 GIADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804451 822811166 /nfs/dbraw/zinc/81/11/66/822811166.db2.gz QIRJQYCMNZPFBR-OAHLLOKOSA-N 1 1 399.379 4.368 20 0 GIADMO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1OC ZINC000052804525 822811384 /nfs/dbraw/zinc/81/13/84/822811384.db2.gz UIXAPLFHJRHPOI-CRAIPNDOSA-N 1 1 388.533 4.088 20 0 GIADMO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1OC ZINC000052804525 822811388 /nfs/dbraw/zinc/81/13/88/822811388.db2.gz UIXAPLFHJRHPOI-CRAIPNDOSA-N 1 1 388.533 4.088 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174606318 822811552 /nfs/dbraw/zinc/81/15/52/822811552.db2.gz VSRMEEXXUCHACL-INIZCTEOSA-N 1 1 396.516 4.266 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174606318 822811556 /nfs/dbraw/zinc/81/15/56/822811556.db2.gz VSRMEEXXUCHACL-INIZCTEOSA-N 1 1 396.516 4.266 20 0 GIADMO CC(C)[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccccc2[nH]1 ZINC000052807843 822811546 /nfs/dbraw/zinc/81/15/46/822811546.db2.gz JYHWEFXRUUPFFL-XLIONFOSSA-N 1 1 385.556 4.071 20 0 GIADMO CC(C)[N@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)Cc1ccccn1 ZINC000052833032 822812505 /nfs/dbraw/zinc/81/25/05/822812505.db2.gz LQQRPBLPTXXKOK-VWLOTQADSA-N 1 1 399.538 4.466 20 0 GIADMO CC(C)[N@@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)Cc1ccccn1 ZINC000052833032 822812507 /nfs/dbraw/zinc/81/25/07/822812507.db2.gz LQQRPBLPTXXKOK-VWLOTQADSA-N 1 1 399.538 4.466 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc(Cl)c1 ZINC000174613887 822812646 /nfs/dbraw/zinc/81/26/46/822812646.db2.gz IXYNRCALQUMFMY-FQEVSTJZSA-N 1 1 385.939 4.046 20 0 GIADMO Cc1cc(C)c(NC(=O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185710677 822812728 /nfs/dbraw/zinc/81/27/28/822812728.db2.gz HYFUIJISXNUJCA-DLBZAZTESA-N 1 1 377.960 4.138 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H](C)c1cccc(O)c1 ZINC000174615776 822813018 /nfs/dbraw/zinc/81/30/18/822813018.db2.gz LCTOGQJYGMXLQR-CQSZACIVSA-N 1 1 376.884 4.466 20 0 GIADMO CC[NH+](CC)[C@@H](CNC(=O)CCC(=O)c1ccc(F)cc1F)c1ccsc1 ZINC000052877963 822813901 /nfs/dbraw/zinc/81/39/01/822813901.db2.gz ATCFICHAIPCRDZ-SFHVURJKSA-N 1 1 394.487 4.189 20 0 GIADMO C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722666 822814433 /nfs/dbraw/zinc/81/44/33/822814433.db2.gz QXZDEHOIYQIBEP-PMPSAXMXSA-N 1 1 397.485 4.275 20 0 GIADMO C[NH+](C)[C@H](C(=O)N[C@H]1CCO[C@H](c2cccs2)C1)c1cccc(Cl)c1 ZINC000456544152 822814590 /nfs/dbraw/zinc/81/45/90/822814590.db2.gz PZTDTACNAAOVEH-BQFCYCMXSA-N 1 1 378.925 4.041 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1O ZINC000174631258 822814619 /nfs/dbraw/zinc/81/46/19/822814619.db2.gz KRVJSIPTMMHJMG-UHFFFAOYSA-N 1 1 383.275 4.168 20 0 GIADMO COc1ccccc1[C@H](C[NH2+]Cc1csc(-c2ccccn2)n1)OC(C)C ZINC000185724298 822814631 /nfs/dbraw/zinc/81/46/31/822814631.db2.gz QEAVFMCNZJQHTO-FQEVSTJZSA-N 1 1 383.517 4.470 20 0 GIADMO C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725345 822814878 /nfs/dbraw/zinc/81/48/78/822814878.db2.gz KXCTXDWZOWUSNA-ABSDTBQOSA-N 1 1 389.971 4.078 20 0 GIADMO Cc1nc(C)c(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC000174632765 822815043 /nfs/dbraw/zinc/81/50/43/822815043.db2.gz RHGBXNQVUBGEEH-HXUWFJFHSA-N 1 1 386.542 4.043 20 0 GIADMO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456552213 822815326 /nfs/dbraw/zinc/81/53/26/822815326.db2.gz DOGNSODQDMPEFJ-RXVVDRJESA-N 1 1 382.479 4.385 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCc2cccc3c2OCO3)c1 ZINC000185741660 822816733 /nfs/dbraw/zinc/81/67/33/822816733.db2.gz DRLPCHMXZPOSAV-UHFFFAOYSA-N 1 1 391.471 4.355 20 0 GIADMO C[C@@H](C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000456568717 822816942 /nfs/dbraw/zinc/81/69/42/822816942.db2.gz GKAPBUOVDWDGGG-AEGPPILISA-N 1 1 396.375 4.239 20 0 GIADMO C[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751920 822817752 /nfs/dbraw/zinc/81/77/52/822817752.db2.gz UGFOIUUYCMUXQO-ZIAGYGMSSA-N 1 1 384.351 4.175 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2cccs2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174650390 822817843 /nfs/dbraw/zinc/81/78/43/822817843.db2.gz LPJWSMFREYXGMZ-HXUWFJFHSA-N 1 1 387.526 4.039 20 0 GIADMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000052992464 822817886 /nfs/dbraw/zinc/81/78/86/822817886.db2.gz OCHXVJZONSCYKZ-UHFFFAOYSA-N 1 1 388.471 4.170 20 0 GIADMO CCCc1c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)[nH]c(C)c1C(C)=O ZINC000053016753 822818741 /nfs/dbraw/zinc/81/87/41/822818741.db2.gz MSINXNUGALRACL-UHFFFAOYSA-N 1 1 383.536 4.248 20 0 GIADMO C[C@H](NCC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765245 822819046 /nfs/dbraw/zinc/81/90/46/822819046.db2.gz UGPCVDNQWLNSNO-KBPBESRZSA-N 1 1 384.351 4.175 20 0 GIADMO CCC[N@@H+](CC)CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000174660275 822819931 /nfs/dbraw/zinc/81/99/31/822819931.db2.gz BFFKQNDCMLIOEP-UHFFFAOYSA-N 1 1 398.334 4.429 20 0 GIADMO C[N@@H+](CCCCc1ccccc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053084046 822820832 /nfs/dbraw/zinc/82/08/32/822820832.db2.gz HSTZQCIMNVPMQZ-FQEVSTJZSA-N 1 1 384.483 4.178 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(C(C)=O)cc2)[C@@H](C)C2CC2)cc1 ZINC000053097622 822821579 /nfs/dbraw/zinc/82/15/79/822821579.db2.gz ZGSYKWLCNWZAAE-INIZCTEOSA-N 1 1 380.488 4.137 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(C(C)=O)cc2)[C@@H](C)C2CC2)cc1 ZINC000053097622 822821582 /nfs/dbraw/zinc/82/15/82/822821582.db2.gz ZGSYKWLCNWZAAE-INIZCTEOSA-N 1 1 380.488 4.137 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000174678593 822822170 /nfs/dbraw/zinc/82/21/70/822822170.db2.gz UUYMBFHIFNGDKQ-UHFFFAOYSA-N 1 1 383.521 4.213 20 0 GIADMO C[C@H]([NH2+]Cc1noc(C2CCOCC2)n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185804209 822822725 /nfs/dbraw/zinc/82/27/25/822822725.db2.gz OXPMFIVIWHIFEW-OLZOCXBDSA-N 1 1 383.414 4.264 20 0 GIADMO Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000174696361 822824669 /nfs/dbraw/zinc/82/46/69/822824669.db2.gz FGIMQSVDZXBDQK-FQEVSTJZSA-N 1 1 391.519 4.466 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000053180170 822824887 /nfs/dbraw/zinc/82/48/87/822824887.db2.gz MKCLDUMYTWSPLF-UHFFFAOYSA-N 1 1 392.846 4.419 20 0 GIADMO CC[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1)c1c(C)noc1C ZINC000185828075 822825020 /nfs/dbraw/zinc/82/50/20/822825020.db2.gz WWGCXHNHRTVYCB-UXHICEINSA-N 1 1 384.524 4.049 20 0 GIADMO Cc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1NC(=O)c1ccco1 ZINC000053404196 822833366 /nfs/dbraw/zinc/83/33/66/822833366.db2.gz JYPFRBOFBCPRBU-MRXNPFEDSA-N 1 1 397.519 4.081 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000174761278 822833792 /nfs/dbraw/zinc/83/37/92/822833792.db2.gz ODODBVMFQNRJED-UHFFFAOYSA-N 1 1 384.480 4.225 20 0 GIADMO CCCn1c(C)nnc1C[N@H+](C)[C@@H](CC)Cc1ccccc1Br ZINC000185926929 822834361 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COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(OC)CC2)cc1Cl ZINC000053897285 822852268 /nfs/dbraw/zinc/85/22/68/822852268.db2.gz UZSNUQCDVQGSSN-FQEVSTJZSA-N 1 1 388.895 4.139 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCC[C@@H](C(C)C)CC3)CC2)cs1 ZINC000186115957 822853113 /nfs/dbraw/zinc/85/31/13/822853113.db2.gz QZYPFRHWECXLCK-MJGOQNOKSA-N 1 1 377.598 4.385 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(NC(=O)c4ccccc4)CC3)o2)cc1 ZINC000053943588 822853479 /nfs/dbraw/zinc/85/34/79/822853479.db2.gz NDORKTQNLAOJQN-KRWDZBQOSA-N 1 1 390.487 4.000 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457110087 822854073 /nfs/dbraw/zinc/85/40/73/822854073.db2.gz HSOIPDYBFYDKJU-KRWDZBQOSA-N 1 1 387.549 4.138 20 0 GIADMO Cc1cnc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000174909811 822854386 /nfs/dbraw/zinc/85/43/86/822854386.db2.gz ZYQNXBQSHHCPER-HHXXYDBFSA-N 1 1 386.565 4.207 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Br)cc1 ZINC000174915880 822855498 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CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 ZINC000054011301 822858698 /nfs/dbraw/zinc/85/86/98/822858698.db2.gz SIBCURGRGUICDR-UHFFFAOYSA-N 1 1 391.471 4.355 20 0 GIADMO CC[C@H](C)C[N@H+](CC)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000174943965 822859280 /nfs/dbraw/zinc/85/92/80/822859280.db2.gz RCEGQOPGPQZHMJ-ZDUSSCGKSA-N 1 1 387.475 4.364 20 0 GIADMO CC[C@H](C)C[N@@H+](CC)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000174943965 822859283 /nfs/dbraw/zinc/85/92/83/822859283.db2.gz RCEGQOPGPQZHMJ-ZDUSSCGKSA-N 1 1 387.475 4.364 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000174946720 822859570 /nfs/dbraw/zinc/85/95/70/822859570.db2.gz DUUZAFXGCKGXJB-OAHLLOKOSA-N 1 1 392.341 4.268 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457193316 822859805 /nfs/dbraw/zinc/85/98/05/822859805.db2.gz CXPXJFDSAUIODP-UHFFFAOYSA-N 1 1 377.941 4.376 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000174949866 822859970 /nfs/dbraw/zinc/85/99/70/822859970.db2.gz DHDLNBZAKCLSCV-OAHLLOKOSA-N 1 1 392.341 4.268 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000174957302 822861087 /nfs/dbraw/zinc/86/10/87/822861087.db2.gz XZGUMUDAQIGAIQ-QGZVFWFLSA-N 1 1 376.422 4.300 20 0 GIADMO Cc1cc2[nH]c(C(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c(C)c1 ZINC000174958970 822861474 /nfs/dbraw/zinc/86/14/74/822861474.db2.gz IHHWBBLAHHXDPI-HXUWFJFHSA-N 1 1 375.516 4.379 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCC[C@]3(C)Cc3ccccc3)CC2)[nH+]c1 ZINC000186216278 822861689 /nfs/dbraw/zinc/86/16/89/822861689.db2.gz RITRADXBATUEAW-XMMPIXPASA-N 1 1 377.532 4.230 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)cs1 ZINC000174962101 822861987 /nfs/dbraw/zinc/86/19/87/822861987.db2.gz ANMCEZANQNWFFA-OAHLLOKOSA-N 1 1 393.350 4.105 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc(F)cc(F)c1 ZINC000174969488 822862561 /nfs/dbraw/zinc/86/25/61/822862561.db2.gz BHFXCZSDAWDMLZ-SFHVURJKSA-N 1 1 387.474 4.018 20 0 GIADMO C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-c2cccnc2)cc1 ZINC000186232968 822863156 /nfs/dbraw/zinc/86/31/56/822863156.db2.gz CFEAPIXTAXENFI-KKSFZXQISA-N 1 1 378.497 4.318 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C(C)C)s3)CC2)oc1C ZINC000186235460 822863445 /nfs/dbraw/zinc/86/34/45/822863445.db2.gz QQHVYUIIOXPUED-UHFFFAOYSA-N 1 1 375.538 4.118 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(COc2ccccc2)cc1 ZINC000054164628 822864693 /nfs/dbraw/zinc/86/46/93/822864693.db2.gz KJZFMHPBAWWGOM-UHFFFAOYSA-N 1 1 398.466 4.085 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000054172834 822865586 /nfs/dbraw/zinc/86/55/86/822865586.db2.gz JYQWZEDYBGINOV-GOSISDBHSA-N 1 1 393.388 4.307 20 0 GIADMO NC(=O)c1ccc(C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C2CC2)cc1 ZINC000054174060 822865844 /nfs/dbraw/zinc/86/58/44/822865844.db2.gz SVFYZABFBZCCQW-UHFFFAOYSA-N 1 1 399.494 4.202 20 0 GIADMO O=c1[nH]c(CC[N@@H+](CCc2ccccc2)Cc2ccccc2)nc2ccccc21 ZINC000054174713 822865890 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GIADMO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224908 822869504 /nfs/dbraw/zinc/86/95/04/822869504.db2.gz BMMBDNLIESIRLZ-SIKLNZKXSA-N 1 1 396.579 4.040 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000569039709 822872019 /nfs/dbraw/zinc/87/20/19/822872019.db2.gz IFGOLQOGQROCFN-LJQANCHMSA-N 1 1 377.536 4.144 20 0 GIADMO CCCN(CC)C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000569039709 822872023 /nfs/dbraw/zinc/87/20/23/822872023.db2.gz IFGOLQOGQROCFN-LJQANCHMSA-N 1 1 377.536 4.144 20 0 GIADMO O=c1[nH]c(CC[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)nc2ccccc21 ZINC000054271838 822872352 /nfs/dbraw/zinc/87/23/52/822872352.db2.gz FJRXTWPNKXKUGM-SFHVURJKSA-N 1 1 398.304 4.065 20 0 GIADMO CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186314506 822875101 /nfs/dbraw/zinc/87/51/01/822875101.db2.gz OMKFDZMAWICLLH-OAQYLSRUSA-N 1 1 377.463 4.111 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000054323607 822876430 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394.519 4.327 20 0 GIADMO Cn1c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186406092 822889141 /nfs/dbraw/zinc/88/91/41/822889141.db2.gz MPIAQIFKEMEIBO-IBGZPJMESA-N 1 1 381.911 4.212 20 0 GIADMO Cn1c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186406092 822889145 /nfs/dbraw/zinc/88/91/45/822889145.db2.gz MPIAQIFKEMEIBO-IBGZPJMESA-N 1 1 381.911 4.212 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000054510629 822891690 /nfs/dbraw/zinc/89/16/90/822891690.db2.gz VHBQQZPBJPBJQQ-DLBZAZTESA-N 1 1 386.565 4.211 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Br)co2)CC[N@H+]1Cc1ccccc1 ZINC000457572491 822893014 /nfs/dbraw/zinc/89/30/14/822893014.db2.gz IVLNDXRCQMXFNR-PBHICJAKSA-N 1 1 391.309 4.167 20 0 GIADMO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000054530191 822893404 /nfs/dbraw/zinc/89/34/04/822893404.db2.gz XJFQTIXGZYCOFL-QFIPXVFZSA-N 1 1 378.516 4.191 20 0 GIADMO COc1ccccc1C[C@@H](C)[N@H+](Cc1nc([C@@H](C)OC)no1)Cc1ccccc1 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4.151 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000569232545 822895183 /nfs/dbraw/zinc/89/51/83/822895183.db2.gz FXOHDLNAUNNMQT-IOMROCGXSA-N 1 1 380.536 4.403 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)co1 ZINC000457604078 822896552 /nfs/dbraw/zinc/89/65/52/822896552.db2.gz GSTZRGRHRLTEJW-INIZCTEOSA-N 1 1 391.309 4.026 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457606811 822896721 /nfs/dbraw/zinc/89/67/21/822896721.db2.gz RLMPIHSIKRUGRY-UHFFFAOYSA-N 1 1 384.867 4.242 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCCCO2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000457609175 822896981 /nfs/dbraw/zinc/89/69/81/822896981.db2.gz XUGLLLXHHQKWMW-IMFGXOCKSA-N 1 1 398.469 4.164 20 0 GIADMO Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000175170873 822897264 /nfs/dbraw/zinc/89/72/64/822897264.db2.gz IAZSIEZCFIAHJF-SFHVURJKSA-N 1 1 389.499 4.387 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000457611922 822897282 /nfs/dbraw/zinc/89/72/82/822897282.db2.gz LICBYQJRBMJYLG-HXUWFJFHSA-N 1 1 398.572 4.439 20 0 GIADMO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)nc1 ZINC000457614720 822897512 /nfs/dbraw/zinc/89/75/12/822897512.db2.gz ZXMGIWCEZHJTJX-MOPGFXCFSA-N 1 1 379.504 4.270 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1OC(F)F ZINC000186449944 822897541 /nfs/dbraw/zinc/89/75/41/822897541.db2.gz LXPOUEVJGRGKCP-NRFANRHFSA-N 1 1 375.415 4.318 20 0 GIADMO CCOc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1OC(F)F ZINC000186452377 822898070 /nfs/dbraw/zinc/89/80/70/822898070.db2.gz CTTHOEBZQPPVHJ-OAQYLSRUSA-N 1 1 375.415 4.318 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(SC(F)(F)F)cc2)cn1 ZINC000054625854 822899959 /nfs/dbraw/zinc/89/99/59/822899959.db2.gz IJJCMFRVXKDZAX-UHFFFAOYSA-N 1 1 392.406 4.118 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cn1 ZINC000054625958 822900016 /nfs/dbraw/zinc/90/00/16/822900016.db2.gz VMIWJWWVODBOCP-UHFFFAOYSA-N 1 1 396.450 4.130 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cn1 ZINC000054625940 822900087 /nfs/dbraw/zinc/90/00/87/822900087.db2.gz PQNXNHCIGSFDRC-UHFFFAOYSA-N 1 1 376.504 4.122 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(-c2cncnc2)cc1F ZINC000186475804 822901381 /nfs/dbraw/zinc/90/13/81/822901381.db2.gz AGEKHDNHCGNPDK-UHFFFAOYSA-N 1 1 392.478 4.053 20 0 GIADMO COc1cc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)c(-c2ccccc2)cc1OC ZINC000569290958 822902323 /nfs/dbraw/zinc/90/23/23/822902323.db2.gz NYDIBGNLBDQMPH-IBGZPJMESA-N 1 1 379.460 4.399 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H]2c2nc(C)no2)c(-c2ccccc2)cc1OC ZINC000569290958 822902327 /nfs/dbraw/zinc/90/23/27/822902327.db2.gz NYDIBGNLBDQMPH-IBGZPJMESA-N 1 1 379.460 4.399 20 0 GIADMO Cc1ccc(NC(=O)C2CC[NH+](Cc3cscc3Br)CC2)nc1 ZINC000569290518 822902498 /nfs/dbraw/zinc/90/24/98/822902498.db2.gz XBALNGJECQSTGR-UHFFFAOYSA-N 1 1 394.338 4.065 20 0 GIADMO CC[C@H](CC(F)F)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000457657747 822902550 /nfs/dbraw/zinc/90/25/50/822902550.db2.gz KJKWTXZNZINYRA-IPELMVKDSA-N 1 1 381.511 4.130 20 0 GIADMO CC[C@H](CC(F)F)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000457657747 822902552 /nfs/dbraw/zinc/90/25/52/822902552.db2.gz KJKWTXZNZINYRA-IPELMVKDSA-N 1 1 381.511 4.130 20 0 GIADMO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000175207543 822904414 /nfs/dbraw/zinc/90/44/14/822904414.db2.gz RGMROTIIJGKTGR-RUZDIDTESA-N 1 1 398.506 4.394 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)n1 ZINC000054676394 822905000 /nfs/dbraw/zinc/90/50/00/822905000.db2.gz JBDZLTOYJLILTB-IBGZPJMESA-N 1 1 376.460 4.010 20 0 GIADMO C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1 ZINC000569311238 822905757 /nfs/dbraw/zinc/90/57/57/822905757.db2.gz SOLKHXRIMHVZST-MSOLQXFVSA-N 1 1 399.560 4.070 20 0 GIADMO C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1 ZINC000569311238 822905758 /nfs/dbraw/zinc/90/57/58/822905758.db2.gz SOLKHXRIMHVZST-MSOLQXFVSA-N 1 1 399.560 4.070 20 0 GIADMO CCc1ccc2c(C[NH+]3CCC(O)(c4c(F)cccc4F)CC3)cc(=O)oc2c1 ZINC000186508993 822906424 /nfs/dbraw/zinc/90/64/24/822906424.db2.gz PVCAOIVTDZGKBB-UHFFFAOYSA-N 1 1 399.437 4.117 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)c2cc(Br)co2)CC1)CC1CC1 ZINC000457688602 822906820 /nfs/dbraw/zinc/90/68/20/822906820.db2.gz HSQPONUYMFYVFE-UHFFFAOYSA-N 1 1 383.330 4.016 20 0 GIADMO O=C(Cc1ccccc1OC1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000457690342 822907109 /nfs/dbraw/zinc/90/71/09/822907109.db2.gz XIXZTUZAMSEACR-KNQAVFIVSA-N 1 1 382.548 4.026 20 0 GIADMO C[C@@H](NC(=O)Cc1ccccc1OC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000457694761 822907858 /nfs/dbraw/zinc/90/78/58/822907858.db2.gz JERGSKPIUANWSH-UYAOXDASSA-N 1 1 384.564 4.320 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000457702869 822908602 /nfs/dbraw/zinc/90/86/02/822908602.db2.gz RTVOICVFYRHAIM-CHWSQXEVSA-N 1 1 385.371 4.202 20 0 GIADMO CCCN(C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C(C)C ZINC000569351695 822910553 /nfs/dbraw/zinc/91/05/53/822910553.db2.gz LJRBRXABEQUHLN-UHFFFAOYSA-N 1 1 385.474 4.500 20 0 GIADMO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000569364222 822911581 /nfs/dbraw/zinc/91/15/81/822911581.db2.gz GOBHTIYDDUGVLR-DHNNRRLOSA-N 1 1 386.580 4.040 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000175240973 822911962 /nfs/dbraw/zinc/91/19/62/822911962.db2.gz KNUSWXUXUSLLPJ-UHFFFAOYSA-N 1 1 382.464 4.103 20 0 GIADMO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000054794190 822913460 /nfs/dbraw/zinc/91/34/60/822913460.db2.gz WKDUEJWQYHHQOX-CYBMUJFWSA-N 1 1 375.563 4.153 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000457750142 822914335 /nfs/dbraw/zinc/91/43/35/822914335.db2.gz VJIHOVRJCBYFLU-GHTZIAJQSA-N 1 1 397.567 4.454 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000054805939 822914372 /nfs/dbraw/zinc/91/43/72/822914372.db2.gz DQMXOJYICRAZST-MSOLQXFVSA-N 1 1 398.551 4.227 20 0 GIADMO Cc1cc(Br)c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000457764285 822916472 /nfs/dbraw/zinc/91/64/72/822916472.db2.gz LJSVEGCEZWWMQA-OAHLLOKOSA-N 1 1 393.350 4.071 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000054839365 822916965 /nfs/dbraw/zinc/91/69/65/822916965.db2.gz RNTIRRVLGFDSCS-RDJZCZTQSA-N 1 1 398.532 4.375 20 0 GIADMO C[C@H](CC(F)(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000457784086 822918995 /nfs/dbraw/zinc/91/89/95/822918995.db2.gz GPLKZPIEPHWGGH-LSTHTHJFSA-N 1 1 390.449 4.359 20 0 GIADMO C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1nc(Cc2ccccc2)no1 ZINC000569422106 822920777 /nfs/dbraw/zinc/92/07/77/822920777.db2.gz FRFVBPGZGQMTAI-HNNXBMFYSA-N 1 1 398.457 4.258 20 0 GIADMO CCOc1cc(C)ccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175273559 822921505 /nfs/dbraw/zinc/92/15/05/822921505.db2.gz UJARWJPSHBJZIU-FQEVSTJZSA-N 1 1 381.520 4.380 20 0 GIADMO Cc1ccc([C@H]2CCCCN2C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)o1 ZINC000175276615 822922206 /nfs/dbraw/zinc/92/22/06/822922206.db2.gz RMDBWXPDJMZTEO-LJQANCHMSA-N 1 1 382.508 4.197 20 0 GIADMO O=C(C1CC[NH+](Cc2ccc(F)cc2Br)CC1)N1CCCCCC1 ZINC000054922121 822922437 /nfs/dbraw/zinc/92/24/37/822922437.db2.gz HVRPVYFQBNBASH-UHFFFAOYSA-N 1 1 397.332 4.203 20 0 GIADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186625016 822925422 /nfs/dbraw/zinc/92/54/22/822925422.db2.gz GSTAYQMFGSQOPQ-MZNJEOGPSA-N 1 1 390.483 4.084 20 0 GIADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186625016 822925425 /nfs/dbraw/zinc/92/54/25/822925425.db2.gz GSTAYQMFGSQOPQ-MZNJEOGPSA-N 1 1 390.483 4.084 20 0 GIADMO CCS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2sccc2Br)c1 ZINC000569467187 822926780 /nfs/dbraw/zinc/92/67/80/822926780.db2.gz XEBFWKINQGXZFV-LLVKDONJSA-N 1 1 388.352 4.155 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H](c4cnn(C)c4)C(C)(C)C3)n2)ccc1F ZINC000569469383 822926785 /nfs/dbraw/zinc/92/67/85/822926785.db2.gz WNVMNPSBOBRDBF-YOEHRIQHSA-N 1 1 383.471 4.104 20 0 GIADMO O=C(CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1cccc(C(F)(F)F)c1 ZINC000186642649 822928255 /nfs/dbraw/zinc/92/82/55/822928255.db2.gz YLIBXTULESARQY-FQEVSTJZSA-N 1 1 390.405 4.165 20 0 GIADMO O=C(N[C@@H](C1CC1)C(F)(F)F)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569500985 822930412 /nfs/dbraw/zinc/93/04/12/822930412.db2.gz GCCIMNSBWHTEQS-SFHVURJKSA-N 1 1 395.469 4.025 20 0 GIADMO C[C@@H](CCCc1cccnc1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000457902810 822931417 /nfs/dbraw/zinc/93/14/17/822931417.db2.gz DVHSAVADNISCDI-GHTZIAJQSA-N 1 1 394.563 4.416 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000569514281 822932587 /nfs/dbraw/zinc/93/25/87/822932587.db2.gz WQMNZBFRSACVHD-CYBMUJFWSA-N 1 1 378.423 4.002 20 0 GIADMO CCC(CC)n1nc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1C ZINC000569517158 822933203 /nfs/dbraw/zinc/93/32/03/822933203.db2.gz LCFFERJRNIJZSN-NRFANRHFSA-N 1 1 394.519 4.407 20 0 GIADMO CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186670018 822933873 /nfs/dbraw/zinc/93/38/73/822933873.db2.gz XORWIZQNVQJNQV-QHCPKHFHSA-N 1 1 377.440 4.241 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1cc2ccccc2o1 ZINC000186678927 822935676 /nfs/dbraw/zinc/93/56/76/822935676.db2.gz OGTGZMNDTWRCPN-WOGXIUBCSA-N 1 1 390.483 4.130 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1cc2ccccc2o1 ZINC000186678927 822935677 /nfs/dbraw/zinc/93/56/77/822935677.db2.gz OGTGZMNDTWRCPN-WOGXIUBCSA-N 1 1 390.483 4.130 20 0 GIADMO Cc1nc(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)sc1C ZINC000175330716 822937084 /nfs/dbraw/zinc/93/70/84/822937084.db2.gz DYTVJGQMUICFKE-UHFFFAOYSA-N 1 1 379.529 4.322 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1)C(=O)OC(C)(C)C ZINC000186688480 822937695 /nfs/dbraw/zinc/93/76/95/822937695.db2.gz NTWFBQOGSCDSHP-QGZVFWFLSA-N 1 1 390.524 4.021 20 0 GIADMO CCOc1ccc2c(c1)[C@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CCO2 ZINC000186693503 822938762 /nfs/dbraw/zinc/93/87/62/822938762.db2.gz KDCJQGDOFLJAEW-VGOFRKELSA-N 1 1 384.520 4.200 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186699448 822940149 /nfs/dbraw/zinc/94/01/49/822940149.db2.gz AFBPNTNJOFBGDV-JLTOFOAXSA-N 1 1 390.405 4.164 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186699448 822940151 /nfs/dbraw/zinc/94/01/51/822940151.db2.gz AFBPNTNJOFBGDV-JLTOFOAXSA-N 1 1 390.405 4.164 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000055152460 822941194 /nfs/dbraw/zinc/94/11/94/822941194.db2.gz SUDZWASMFKCNSU-QWHCGFSZSA-N 1 1 394.874 4.483 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2)C[C@@H](C)O1 ZINC000175354218 822943430 /nfs/dbraw/zinc/94/34/30/822943430.db2.gz JAFCTLHBMUZQCT-HZPDHXFCSA-N 1 1 398.469 4.100 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)CC2)cc1 ZINC000055209910 822945957 /nfs/dbraw/zinc/94/59/57/822945957.db2.gz NINMCTBGDLQVRC-XMSQKQJNSA-N 1 1 396.531 4.079 20 0 GIADMO COc1cc(C)c(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000186734317 822946980 /nfs/dbraw/zinc/94/69/80/822946980.db2.gz SAOPOZZPVZEGHT-OAHLLOKOSA-N 1 1 391.512 4.238 20 0 GIADMO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)[C@H]1[C@H]1CCCO1 ZINC000569633896 822947870 /nfs/dbraw/zinc/94/78/70/822947870.db2.gz INDSVCVYPLSRLL-GGAORHGYSA-N 1 1 388.515 4.324 20 0 GIADMO C[C@@H](NCc1n[nH]c(C2CC[NH2+]CC2)n1)c1cc2c(ccc3ccccc23)o1 ZINC000569687276 822955433 /nfs/dbraw/zinc/95/54/33/822955433.db2.gz YLWOOUCLMBQAQN-CQSZACIVSA-N 1 1 375.476 4.022 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000569703304 822956934 /nfs/dbraw/zinc/95/69/34/822956934.db2.gz SEBVKZGFAXWSHL-DENIHFKCSA-N 1 1 399.510 4.266 20 0 GIADMO C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C2CC2)CC[N@H+](C2CCC2)C1 ZINC000569704448 822956953 /nfs/dbraw/zinc/95/69/53/822956953.db2.gz LVCYOBITUCCPEY-INIZCTEOSA-N 1 1 399.970 4.168 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)on1 ZINC000055404635 822958115 /nfs/dbraw/zinc/95/81/15/822958115.db2.gz ACNZCAQTRQZFLL-DOTOQJQBSA-N 1 1 387.549 4.126 20 0 GIADMO Cc1nc(C[N@H+]2CCSC3(CCOCC3)C2)oc1-c1ccc(Cl)cc1 ZINC000186819748 822960841 /nfs/dbraw/zinc/96/08/41/822960841.db2.gz YOJOWYBVMDCYJP-UHFFFAOYSA-N 1 1 378.925 4.401 20 0 GIADMO COc1cccc(Oc2ccc(NC(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)cc2)c1 ZINC000175407977 822961562 /nfs/dbraw/zinc/96/15/62/822961562.db2.gz AFLJHLRHIKWOPC-KRWDZBQOSA-N 1 1 383.492 4.293 20 0 GIADMO COc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)c1OC ZINC000569741583 822961749 /nfs/dbraw/zinc/96/17/49/822961749.db2.gz QCCMZFGGOGHLHM-DEOSSOPVSA-N 1 1 380.532 4.110 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)C1 ZINC000458156989 822963439 /nfs/dbraw/zinc/96/34/39/822963439.db2.gz BYYDLBOGNKPHCR-HNNXBMFYSA-N 1 1 393.959 4.176 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000458170628 822964889 /nfs/dbraw/zinc/96/48/89/822964889.db2.gz PGXPALZMYCBTIK-YGOYIFOWSA-N 1 1 392.543 4.217 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000175424149 822965301 /nfs/dbraw/zinc/96/53/01/822965301.db2.gz VLFWTLXPIXEJPW-ZJWNCGCPSA-N 1 1 379.909 4.042 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000175424149 822965305 /nfs/dbraw/zinc/96/53/05/822965305.db2.gz VLFWTLXPIXEJPW-ZJWNCGCPSA-N 1 1 379.909 4.042 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000186852490 822967864 /nfs/dbraw/zinc/96/78/64/822967864.db2.gz NVXGTMGYOOBVLC-FQEVSTJZSA-N 1 1 399.498 4.180 20 0 GIADMO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1 ZINC000055472762 822968034 /nfs/dbraw/zinc/96/80/34/822968034.db2.gz ZONSUZQQOQLQAR-UHFFFAOYSA-N 1 1 396.922 4.450 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000175436178 822968683 /nfs/dbraw/zinc/96/86/83/822968683.db2.gz MLNLZYGSDBUQEJ-UONOGXRCSA-N 1 1 379.957 4.051 20 0 GIADMO CC(C)c1c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccccc1Cl ZINC000458208000 822968754 /nfs/dbraw/zinc/96/87/54/822968754.db2.gz JLFXWLYLKIEXGN-INIZCTEOSA-N 1 1 388.943 4.111 20 0 GIADMO CCN(C(=O)Nc1cc(F)c(OC)cc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186859607 822969413 /nfs/dbraw/zinc/96/94/13/822969413.db2.gz IFVYTSPPSYLQGJ-GOSISDBHSA-N 1 1 385.483 4.271 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC000175452106 822972347 /nfs/dbraw/zinc/97/23/47/822972347.db2.gz BLXSZLUHBHKZFU-HSZRJFAPSA-N 1 1 378.560 4.278 20 0 GIADMO CC(C)([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1F ZINC000186882539 822974195 /nfs/dbraw/zinc/97/41/95/822974195.db2.gz MEPUJQMUYGSHGO-LLVKDONJSA-N 1 1 380.813 4.105 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cn1 ZINC000175463587 822975306 /nfs/dbraw/zinc/97/53/06/822975306.db2.gz 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COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000186921958 822980691 /nfs/dbraw/zinc/98/06/91/822980691.db2.gz VMOUPLWOQLEGTG-QGZVFWFLSA-N 1 1 397.519 4.104 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccc2c(c1)OCCO2 ZINC000186929972 822982274 /nfs/dbraw/zinc/98/22/74/822982274.db2.gz PTYHVFNGFQBVKR-MNOVXSKESA-N 1 1 381.245 4.166 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2N2CCOCC2)cc1)C(C)C ZINC000458326217 822983547 /nfs/dbraw/zinc/98/35/47/822983547.db2.gz UYQXMLDQOCIRPR-UHFFFAOYSA-N 1 1 399.510 4.145 20 0 GIADMO CC(C)Sc1ccc([C@@H](C)NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000458331153 822984075 /nfs/dbraw/zinc/98/40/75/822984075.db2.gz ZMMGYLKTBTZFFR-UTKZUKDTSA-N 1 1 375.582 4.375 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186942782 822984287 /nfs/dbraw/zinc/98/42/87/822984287.db2.gz GPCJBWFQDJUMQT-SFHVURJKSA-N 1 1 398.522 4.346 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H]1c1cccs1 ZINC000175507475 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COc1cc(C[N@H+]2CCC[C@]2(C)CCCO)ccc1OCc1cccs1 ZINC000570008756 822996315 /nfs/dbraw/zinc/99/63/15/822996315.db2.gz HZLNUZAPLSTXQD-OAQYLSRUSA-N 1 1 375.534 4.463 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)C(C)(C)c3cccc(Cl)c3F)CC2)[nH+]c1 ZINC000187019602 822998577 /nfs/dbraw/zinc/99/85/77/822998577.db2.gz WORGOINJAODORX-UHFFFAOYSA-N 1 1 389.902 4.245 20 0 GIADMO Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000187019984 822998669 /nfs/dbraw/zinc/99/86/69/822998669.db2.gz OYCDASKPDXEFPI-LKUPVBHCSA-N 1 1 398.576 4.351 20 0 GIADMO C[C@H](NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ncc(Br)cc1F ZINC000187031879 823000970 /nfs/dbraw/zinc/00/09/70/823000970.db2.gz INTSOMIJKYPADO-ZBEGNZNMSA-N 1 1 384.268 4.076 20 0 GIADMO Cc1csc([C@@H](NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000175578495 823001279 /nfs/dbraw/zinc/00/12/79/823001279.db2.gz SKTRLYKMGCQTAT-APWZRJJASA-N 1 1 386.565 4.112 20 0 GIADMO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](c3nccn3C)C3CC3)cc2)c1 ZINC000570070718 823003185 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O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1sc2ccccc2c1Br ZINC000570135205 823008961 /nfs/dbraw/zinc/00/89/61/823008961.db2.gz JYZZEISDLZCTQQ-CHWSQXEVSA-N 1 1 379.323 4.020 20 0 GIADMO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]Cc1nc(N)c2ccccc2n1 ZINC000570142968 823009951 /nfs/dbraw/zinc/00/99/51/823009951.db2.gz SRVSOJMPJQQPDK-GOSISDBHSA-N 1 1 397.320 4.218 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)CCc2ncc(C(C)(C)C)o2)CC[N@H+]1Cc1ccccc1 ZINC000187113758 823012511 /nfs/dbraw/zinc/01/25/11/823012511.db2.gz URLUNFYLVALVFL-UYAOXDASSA-N 1 1 397.563 4.416 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)CC2)cs1 ZINC000175650309 823012800 /nfs/dbraw/zinc/01/28/00/823012800.db2.gz GTLAMKVZSCYFPT-BEFAXECRSA-N 1 1 387.549 4.256 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000187131972 823015372 /nfs/dbraw/zinc/01/53/72/823015372.db2.gz VRWMDDYJBFVXBP-UHFFFAOYSA-N 1 1 394.471 4.073 20 0 GIADMO CCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)n1 ZINC000570223615 823016595 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C[C@@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570473553 823042806 /nfs/dbraw/zinc/04/28/06/823042806.db2.gz YCVOFULUMMXKML-XLIONFOSSA-N 1 1 389.503 4.109 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ncc(Br)cc1F ZINC000187325055 823043662 /nfs/dbraw/zinc/04/36/62/823043662.db2.gz MEVZDQHIARMLDI-JTQLQIEISA-N 1 1 389.215 4.478 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3c(C)noc3-c3ccccc3)CC2)cs1 ZINC000123802454 823542001 /nfs/dbraw/zinc/54/20/01/823542001.db2.gz BDGCGRFJACCWPY-UHFFFAOYSA-N 1 1 396.516 4.266 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000060567114 823543223 /nfs/dbraw/zinc/54/32/23/823543223.db2.gz DJTMOICUMFOCOJ-BPQIPLTHSA-N 1 1 382.470 4.437 20 0 GIADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000177907293 823544584 /nfs/dbraw/zinc/54/45/84/823544584.db2.gz QPJIGVDYAYIOER-BBWFWOEESA-N 1 1 395.503 4.005 20 0 GIADMO Fc1ccc(-c2nc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)cs2)cc1 ZINC000123848917 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394.849 4.050 20 0 GIADMO O=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000123854923 823545972 /nfs/dbraw/zinc/54/59/72/823545972.db2.gz CUCZSDXXJOPHMO-GOSISDBHSA-N 1 1 379.435 4.331 20 0 GIADMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000123857420 823546445 /nfs/dbraw/zinc/54/64/45/823546445.db2.gz IBZBQIWDVUNZQE-CYBMUJFWSA-N 1 1 388.886 4.316 20 0 GIADMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000123857420 823546449 /nfs/dbraw/zinc/54/64/49/823546449.db2.gz IBZBQIWDVUNZQE-CYBMUJFWSA-N 1 1 388.886 4.316 20 0 GIADMO O=C(c1ccc2cncn2c1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411102987 823546479 /nfs/dbraw/zinc/54/64/79/823546479.db2.gz PKQHSUHULDBCSI-UHFFFAOYSA-N 1 1 382.895 4.120 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)CSc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123860126 823546915 /nfs/dbraw/zinc/54/69/15/823546915.db2.gz YEIUNXVPFNATDN-YWZLYKJASA-N 1 1 392.927 4.380 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460953952 823549693 /nfs/dbraw/zinc/54/96/93/823549693.db2.gz FTCRXAVQSMIZOI-GASCZTMLSA-N 1 1 389.927 4.481 20 0 GIADMO Cc1ccc2ncc(C[N@@H+]3CCCN(C(=O)c4ccccc4F)CC3)cc2c1 ZINC000411133741 823550828 /nfs/dbraw/zinc/55/08/28/823550828.db2.gz MPNHJPZADNCLNG-UHFFFAOYSA-N 1 1 377.463 4.030 20 0 GIADMO Cc1ccc2ncc(C[N@H+]3CCCN(C(=O)c4ccccc4F)CC3)cc2c1 ZINC000411133741 823550832 /nfs/dbraw/zinc/55/08/32/823550832.db2.gz MPNHJPZADNCLNG-UHFFFAOYSA-N 1 1 377.463 4.030 20 0 GIADMO C[N@@H+]1CC[C@@H](CNC(=O)c2csc(C3CC3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123908539 823550899 /nfs/dbraw/zinc/55/08/99/823550899.db2.gz QSVVCSHAHWACCP-GUYCJALGSA-N 1 1 393.915 4.236 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2csc(C3CC3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123908539 823550903 /nfs/dbraw/zinc/55/09/03/823550903.db2.gz QSVVCSHAHWACCP-GUYCJALGSA-N 1 1 393.915 4.236 20 0 GIADMO CCNc1ccc(Cl)cc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000190218126 823551988 /nfs/dbraw/zinc/55/19/88/823551988.db2.gz OEUUJBHOKUUZCT-GOSISDBHSA-N 1 1 385.939 4.366 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000190219778 823552200 /nfs/dbraw/zinc/55/22/00/823552200.db2.gz RASRDGKMCVQLHA-OAQYLSRUSA-N 1 1 375.944 4.186 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460969632 823552785 /nfs/dbraw/zinc/55/27/85/823552785.db2.gz NTGTXVQINSMUFG-CQSZACIVSA-N 1 1 375.900 4.235 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1)C(C)C ZINC000190232264 823553386 /nfs/dbraw/zinc/55/33/86/823553386.db2.gz KNCIHRWKOFYLEC-GOTSBHOMSA-N 1 1 380.532 4.425 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OCc3cccs3)c(OC)c2)C1 ZINC000190231403 823553440 /nfs/dbraw/zinc/55/34/40/823553440.db2.gz SNJBJPOIXZRSOY-NRFANRHFSA-N 1 1 375.534 4.320 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ncoc2-c2ccccc2Cl)c1 ZINC000460974142 823553879 /nfs/dbraw/zinc/55/38/79/823553879.db2.gz RKWXCXACZZBJNU-UHFFFAOYSA-N 1 1 383.879 4.377 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000460974902 823554053 /nfs/dbraw/zinc/55/40/53/823554053.db2.gz ZJHKEDSRFIQXMN-OXQOHEQNSA-N 1 1 377.463 4.386 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123955767 823555170 /nfs/dbraw/zinc/55/51/70/823555170.db2.gz CRZDNOUQHIDYIZ-VQIMIIECSA-N 1 1 386.923 4.474 20 0 GIADMO COc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000123974793 823556988 /nfs/dbraw/zinc/55/69/88/823556988.db2.gz XRAXJJMNHIOQIZ-FPOVZHCZSA-N 1 1 382.504 4.002 20 0 GIADMO Cc1ccc(OCc2nc(C[NH2+]C[C@@H](O)c3c(F)cccc3F)cs2)cc1 ZINC000123983309 823557769 /nfs/dbraw/zinc/55/77/69/823557769.db2.gz YJLYBOZNFDDUIR-GOSISDBHSA-N 1 1 390.455 4.132 20 0 GIADMO Cc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c(-n2cc(Cl)cn2)n1 ZINC000190313102 823561767 /nfs/dbraw/zinc/56/17/67/823561767.db2.gz QICQLWKYXVODAW-UHFFFAOYSA-N 1 1 399.901 4.258 20 0 GIADMO COCCCOC1CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC000411283299 823562286 /nfs/dbraw/zinc/56/22/86/823562286.db2.gz KNTBLVIYXOAOMP-UHFFFAOYSA-N 1 1 376.722 4.120 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124042074 823562371 /nfs/dbraw/zinc/56/23/71/823562371.db2.gz FGXCSEYBFWSCHS-UWVGGRQHSA-N 1 1 375.387 4.058 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccccc1-n1cccn1 ZINC000190323894 823562807 /nfs/dbraw/zinc/56/28/07/823562807.db2.gz DRNBYZFOTFREKA-HNNXBMFYSA-N 1 1 379.414 4.187 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000461036470 823563083 /nfs/dbraw/zinc/56/30/83/823563083.db2.gz DSXAFWXKMCOJFG-CQSZACIVSA-N 1 1 392.494 4.042 20 0 GIADMO Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000461039239 823563751 /nfs/dbraw/zinc/56/37/51/823563751.db2.gz UWASBWBHWHTLDZ-CYBMUJFWSA-N 1 1 395.956 4.142 20 0 GIADMO CC[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@H](COC)Cc1ccccc1 ZINC000411311862 823564079 /nfs/dbraw/zinc/56/40/79/823564079.db2.gz YGCIPBZLOSMIGF-KRWDZBQOSA-N 1 1 385.895 4.068 20 0 GIADMO CC[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@H](COC)Cc1ccccc1 ZINC000411311862 823564082 /nfs/dbraw/zinc/56/40/82/823564082.db2.gz YGCIPBZLOSMIGF-KRWDZBQOSA-N 1 1 385.895 4.068 20 0 GIADMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000411316531 823564355 /nfs/dbraw/zinc/56/43/55/823564355.db2.gz AFMKNJGPXDYMOJ-AWEZNQCLSA-N 1 1 391.309 4.046 20 0 GIADMO COc1ccc(CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000060909116 823565724 /nfs/dbraw/zinc/56/57/24/823565724.db2.gz CZIKRTQPIXCCSO-LJQANCHMSA-N 1 1 395.547 4.112 20 0 GIADMO COc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000060909894 823565946 /nfs/dbraw/zinc/56/59/46/823565946.db2.gz RDQLAJROLBLPAC-GOSISDBHSA-N 1 1 381.520 4.069 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC[N@H+]1C ZINC000124081430 823566014 /nfs/dbraw/zinc/56/60/14/823566014.db2.gz HEXOAQVVAGJZTD-AAEUAGOBSA-N 1 1 383.970 4.009 20 0 GIADMO CC(C)[N@@H+](CCC1(O)CCC1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000411361328 823566492 /nfs/dbraw/zinc/56/64/92/823566492.db2.gz HBDRSGDJUZQUEH-UHFFFAOYSA-N 1 1 392.849 4.313 20 0 GIADMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190367403 823566856 /nfs/dbraw/zinc/56/68/56/823566856.db2.gz HFKUWMVUQLBSGS-CYBMUJFWSA-N 1 1 392.381 4.222 20 0 GIADMO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190367403 823566857 /nfs/dbraw/zinc/56/68/57/823566857.db2.gz HFKUWMVUQLBSGS-CYBMUJFWSA-N 1 1 392.381 4.222 20 0 GIADMO COc1ccc([C@H](C)N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000124092760 823566975 /nfs/dbraw/zinc/56/69/75/823566975.db2.gz DGCKFNQBNXEVHR-SFHVURJKSA-N 1 1 383.536 4.438 20 0 GIADMO COc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000060937330 823567899 /nfs/dbraw/zinc/56/78/99/823567899.db2.gz GONVREOOYAIERY-GOSISDBHSA-N 1 1 381.520 4.069 20 0 GIADMO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000060941553 823568192 /nfs/dbraw/zinc/56/81/92/823568192.db2.gz RZOKGQRVBNLSEW-UHFFFAOYSA-N 1 1 393.481 4.310 20 0 GIADMO COc1ccnc(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000124124741 823569769 /nfs/dbraw/zinc/56/97/69/823569769.db2.gz KIRDPRYKKKYEJD-NRFANRHFSA-N 1 1 376.435 4.110 20 0 GIADMO O=C1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3)CC[C@@H]2N1C1CC1 ZINC000411398467 823570261 /nfs/dbraw/zinc/57/02/61/823570261.db2.gz ORNDNKYUVKNFFE-DYVFJYSZSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3)CC[C@@H]2N1C1CC1 ZINC000411398467 823570262 /nfs/dbraw/zinc/57/02/62/823570262.db2.gz ORNDNKYUVKNFFE-DYVFJYSZSA-N 1 1 397.744 4.078 20 0 GIADMO COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000411399797 823570385 /nfs/dbraw/zinc/57/03/85/823570385.db2.gz MISUPFRMEDJYBG-LLVKDONJSA-N 1 1 390.452 4.390 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1)C(C)C ZINC000190414797 823570592 /nfs/dbraw/zinc/57/05/92/823570592.db2.gz OHSPVQOVALMXTG-UHFFFAOYSA-N 1 1 386.565 4.090 20 0 GIADMO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000124134813 823570721 /nfs/dbraw/zinc/57/07/21/823570721.db2.gz VFDABRQGTFEUIU-QUCCMNQESA-N 1 1 378.516 4.089 20 0 GIADMO C[C@H](c1ccccn1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411420311 823572016 /nfs/dbraw/zinc/57/20/16/823572016.db2.gz LMYLEJQVKQXTRW-UONOGXRCSA-N 1 1 381.549 4.029 20 0 GIADMO C[C@H](CC(F)F)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000411434414 823573790 /nfs/dbraw/zinc/57/37/90/823573790.db2.gz BTKNCHSHCZLEDF-RHSMWYFYSA-N 1 1 378.488 4.255 20 0 GIADMO C[C@H](CC(F)F)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000411434414 823573791 /nfs/dbraw/zinc/57/37/91/823573791.db2.gz BTKNCHSHCZLEDF-RHSMWYFYSA-N 1 1 378.488 4.255 20 0 GIADMO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2O1 ZINC000190441740 823574726 /nfs/dbraw/zinc/57/47/26/823574726.db2.gz UZQFJKPWSTWJQJ-FXCLAUTBSA-N 1 1 385.508 4.065 20 0 GIADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000461096622 823576215 /nfs/dbraw/zinc/57/62/15/823576215.db2.gz HHCJMNMCKXDUCR-LJQANCHMSA-N 1 1 395.547 4.291 20 0 GIADMO Cc1cc(C2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)n[nH]1 ZINC000411454685 823576658 /nfs/dbraw/zinc/57/66/58/823576658.db2.gz XUBAQOQTJHKLAX-UHFFFAOYSA-N 1 1 381.307 4.233 20 0 GIADMO COc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCc2ccccc2)c1 ZINC000190454463 823576920 /nfs/dbraw/zinc/57/69/20/823576920.db2.gz AXCOQFNXLSTSJL-HKUYNNGSSA-N 1 1 397.519 4.221 20 0 GIADMO Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124205126 823577256 /nfs/dbraw/zinc/57/72/56/823577256.db2.gz WAIRSBLRMLZFLW-SFHVURJKSA-N 1 1 397.542 4.123 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2[C@H](C)C2(F)F)cc1)C[C@@H]1CCCCO1 ZINC000461101614 823577645 /nfs/dbraw/zinc/57/76/45/823577645.db2.gz SOHDYSCPEKEFQF-SNRMKQJTSA-N 1 1 380.479 4.306 20 0 GIADMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461109166 823579160 /nfs/dbraw/zinc/57/91/60/823579160.db2.gz CTUMWABQOCNDCG-QGZVFWFLSA-N 1 1 380.454 4.260 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)C1 ZINC000190487435 823580393 /nfs/dbraw/zinc/58/03/93/823580393.db2.gz IMLZKBZTMLYWCT-LJQANCHMSA-N 1 1 397.519 4.080 20 0 GIADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCSc2ccccc21 ZINC000061141663 823580574 /nfs/dbraw/zinc/58/05/74/823580574.db2.gz NKXLQNODZHRETI-QUCCMNQESA-N 1 1 381.545 4.187 20 0 GIADMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000190493972 823580847 /nfs/dbraw/zinc/58/08/47/823580847.db2.gz OIQIQRGUAGZTDF-UHFFFAOYSA-N 1 1 392.459 4.257 20 0 GIADMO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000190493972 823580849 /nfs/dbraw/zinc/58/08/49/823580849.db2.gz OIQIQRGUAGZTDF-UHFFFAOYSA-N 1 1 392.459 4.257 20 0 GIADMO O=c1[nH]c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)nc2ccc(Cl)cc12 ZINC000411491349 823580888 /nfs/dbraw/zinc/58/08/88/823580888.db2.gz PPUWZUZYFXJYSP-HXUWFJFHSA-N 1 1 397.862 4.001 20 0 GIADMO O=S(=O)(CC[N@@H+](C1CC1)C1CCCCC1)c1ccc(Br)cc1 ZINC000061163242 823581605 /nfs/dbraw/zinc/58/16/05/823581605.db2.gz ZKVDKCMCYWLDLF-UHFFFAOYSA-N 1 1 386.355 4.020 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000411498745 823581742 /nfs/dbraw/zinc/58/17/42/823581742.db2.gz BQLJNEFUQNSHGR-CWRNSKLLSA-N 1 1 382.451 4.340 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)NC1CCC(c2ccccc2)CC1)[NH+](C)C ZINC000061188799 823582914 /nfs/dbraw/zinc/58/29/14/823582914.db2.gz KZUNLCUJTMSOFL-QETWGEEDSA-N 1 1 395.547 4.324 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1cccc(OC(C)C)c1)[NH+](C)C ZINC000061189444 823582959 /nfs/dbraw/zinc/58/29/59/823582959.db2.gz IDJIBJGMVWWTTB-UWJYYQICSA-N 1 1 399.535 4.146 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(Oc4ccc(F)nc4)CC3)o2)cc1 ZINC000190542182 823584604 /nfs/dbraw/zinc/58/46/04/823584604.db2.gz PFJVRHORYUBGJZ-HNNXBMFYSA-N 1 1 382.439 4.184 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000190539875 823584612 /nfs/dbraw/zinc/58/46/12/823584612.db2.gz KKNXFNJFJLSRHJ-QFBILLFUSA-N 1 1 377.598 4.338 20 0 GIADMO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H](C)c3nnnn3C3CC3)cc2)c1 ZINC000190553645 823585591 /nfs/dbraw/zinc/58/55/91/823585591.db2.gz NECJBZWEDXTLKJ-DLBZAZTESA-N 1 1 377.492 4.307 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N2CCC(c3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000190552762 823585662 /nfs/dbraw/zinc/58/56/62/823585662.db2.gz KAXAKYWLAZLKDS-AUSIDOKSSA-N 1 1 392.547 4.024 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000190563772 823586793 /nfs/dbraw/zinc/58/67/93/823586793.db2.gz GIXPIPJDQATAKT-RDJZCZTQSA-N 1 1 397.544 4.282 20 0 GIADMO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)cn1)c1cc(F)cc(Br)c1 ZINC000411563249 823588438 /nfs/dbraw/zinc/58/84/38/823588438.db2.gz QBOSBCVEZCZRCM-INIZCTEOSA-N 1 1 381.245 4.011 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1nc2ccccc2n1C(F)F ZINC000411611813 823590690 /nfs/dbraw/zinc/59/06/90/823590690.db2.gz KXHFBDMYEDIWRU-WBMJQRKESA-N 1 1 388.393 4.027 20 0 GIADMO C[C@@H](CO)[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCC1 ZINC000411611606 823590735 /nfs/dbraw/zinc/59/07/35/823590735.db2.gz ZFOCXTOTIOPOCP-AWEZNQCLSA-N 1 1 383.517 4.189 20 0 GIADMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c12 ZINC000124371666 823591112 /nfs/dbraw/zinc/59/11/12/823591112.db2.gz WIIGRWLUNHOMJP-WBVHZDCISA-N 1 1 399.583 4.173 20 0 GIADMO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411620286 823591320 /nfs/dbraw/zinc/59/13/20/823591320.db2.gz MCFNNQZJMWBZBY-FQEVSTJZSA-N 1 1 387.505 4.030 20 0 GIADMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411620286 823591327 /nfs/dbraw/zinc/59/13/27/823591327.db2.gz MCFNNQZJMWBZBY-FQEVSTJZSA-N 1 1 387.505 4.030 20 0 GIADMO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(c3ccncc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000190623930 823592953 /nfs/dbraw/zinc/59/29/53/823592953.db2.gz JGWOCORKLRNBDI-RTWAWAEBSA-N 1 1 398.938 4.069 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)N2CCC(c3ccncc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000190623930 823592954 /nfs/dbraw/zinc/59/29/54/823592954.db2.gz JGWOCORKLRNBDI-RTWAWAEBSA-N 1 1 398.938 4.069 20 0 GIADMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000411639418 823593116 /nfs/dbraw/zinc/59/31/16/823593116.db2.gz FITYGBUGNVDBNG-GOEBONIOSA-N 1 1 383.517 4.047 20 0 GIADMO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)cc1 ZINC000411658278 823595300 /nfs/dbraw/zinc/59/53/00/823595300.db2.gz KZTUJQAYDLZADM-XXBNENTESA-N 1 1 394.540 4.231 20 0 GIADMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000411664067 823595720 /nfs/dbraw/zinc/59/57/20/823595720.db2.gz AJYWHASLECFAQO-KRWDZBQOSA-N 1 1 390.915 4.121 20 0 GIADMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000411664067 823595721 /nfs/dbraw/zinc/59/57/21/823595721.db2.gz AJYWHASLECFAQO-KRWDZBQOSA-N 1 1 390.915 4.121 20 0 GIADMO Cc1ccc2ncc(C[NH2+][C@@H](CO)c3ccccc3OC(F)(F)F)cc2c1 ZINC000411670073 823596242 /nfs/dbraw/zinc/59/62/42/823596242.db2.gz RINHFLFYURNSPI-SFHVURJKSA-N 1 1 376.378 4.265 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2cnc3ccc(C)cc3c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000411680081 823596612 /nfs/dbraw/zinc/59/66/12/823596612.db2.gz WZIAFOSUXOPEBY-JTSKRJEESA-N 1 1 382.529 4.116 20 0 GIADMO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000411686035 823596753 /nfs/dbraw/zinc/59/67/53/823596753.db2.gz KPPLEBSCUJJCMF-SNVBAGLBSA-N 1 1 375.391 4.289 20 0 GIADMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000411682913 823596866 /nfs/dbraw/zinc/59/68/66/823596866.db2.gz QIQICWAVGUKJBN-KRWDZBQOSA-N 1 1 390.915 4.121 20 0 GIADMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000411682913 823596870 /nfs/dbraw/zinc/59/68/70/823596870.db2.gz QIQICWAVGUKJBN-KRWDZBQOSA-N 1 1 390.915 4.121 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CCC(C)(C)c3ccccc32)cn1 ZINC000124447716 823597519 /nfs/dbraw/zinc/59/75/19/823597519.db2.gz YJJSGZRONPSOPL-FQEVSTJZSA-N 1 1 389.503 4.188 20 0 GIADMO O=C(CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411715415 823599073 /nfs/dbraw/zinc/59/90/73/823599073.db2.gz BRLYZZJFMQXHTQ-DENIHFKCSA-N 1 1 394.544 4.294 20 0 GIADMO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)Cc3ccc(Cl)c(F)c3)cc2)c1C ZINC000461213393 823599757 /nfs/dbraw/zinc/59/97/57/823599757.db2.gz UJBMPDSHGSIVEG-UHFFFAOYSA-N 1 1 393.871 4.224 20 0 GIADMO COc1cc(NC(=O)CC[NH2+]C2(C(F)F)CCCCC2)c(OC)cc1Cl ZINC000411723098 823599925 /nfs/dbraw/zinc/59/99/25/823599925.db2.gz WKTQTTDRJUTKDX-UHFFFAOYSA-N 1 1 390.858 4.243 20 0 GIADMO Fc1cc(-c2ncco2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000411724595 823600129 /nfs/dbraw/zinc/60/01/29/823600129.db2.gz YTGIQLWXQKBRAN-KCZVDYSFSA-N 1 1 378.447 4.485 20 0 GIADMO COCCOCC[N@@H+](C)Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411733473 823600983 /nfs/dbraw/zinc/60/09/83/823600983.db2.gz GKZDGAXQXDEUJF-UHFFFAOYSA-N 1 1 388.455 4.232 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000411741268 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823681813 /nfs/dbraw/zinc/68/18/13/823681813.db2.gz CRXRQHJDOUETHE-NRFANRHFSA-N 1 1 399.585 4.495 20 0 GIADMO CCc1nc(C[N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)cs1 ZINC000063594008 823681815 /nfs/dbraw/zinc/68/18/15/823681815.db2.gz CRXRQHJDOUETHE-NRFANRHFSA-N 1 1 399.585 4.495 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)c1cccc(O)c1 ZINC000191437800 823685296 /nfs/dbraw/zinc/68/52/96/823685296.db2.gz CKTBXIFRDLGQHC-YNEHKIRRSA-N 1 1 383.517 4.227 20 0 GIADMO O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000063637300 823685606 /nfs/dbraw/zinc/68/56/06/823685606.db2.gz LGDWIBFZKYACIL-XMMPIXPASA-N 1 1 385.511 4.448 20 0 GIADMO CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[C@H](C)c1cccc(OC)c1 ZINC000461714259 823686290 /nfs/dbraw/zinc/68/62/90/823686290.db2.gz HWUSMZATRDQDBU-RTBURBONSA-N 1 1 383.536 4.308 20 0 GIADMO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c(C)n1-c1cccc(Cl)c1 ZINC000063661155 823687468 /nfs/dbraw/zinc/68/74/68/823687468.db2.gz NUOIVCNFPXQHTE-CQSZACIVSA-N 1 1 384.911 4.319 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000191479291 823689350 /nfs/dbraw/zinc/68/93/50/823689350.db2.gz CMBIQXCSPAOGAA-MRXNPFEDSA-N 1 1 376.932 4.147 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)Sc2ccc(Br)cc2)C1 ZINC000063692881 823689803 /nfs/dbraw/zinc/68/98/03/823689803.db2.gz IBAJRYQDLVVEKY-LSDHHAIUSA-N 1 1 399.398 4.166 20 0 GIADMO CCOc1ccc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c(F)c1 ZINC000412898107 823690059 /nfs/dbraw/zinc/69/00/59/823690059.db2.gz LXYDKYLWIWIMEL-CHWSQXEVSA-N 1 1 376.394 4.072 20 0 GIADMO C[C@H](CC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000461748420 823691381 /nfs/dbraw/zinc/69/13/81/823691381.db2.gz JXJXIRXSMBVSNU-MLGOLLRUSA-N 1 1 397.288 4.094 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)c2C(C)C)cc1 ZINC000063722863 823691539 /nfs/dbraw/zinc/69/15/39/823691539.db2.gz SIOZPIMNVHSJGJ-UHFFFAOYSA-N 1 1 382.552 4.251 20 0 GIADMO CC[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000125633109 823691747 /nfs/dbraw/zinc/69/17/47/823691747.db2.gz ULLKWAYAYNECKT-INIZCTEOSA-N 1 1 393.825 4.158 20 0 GIADMO Cc1cccc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000063724783 823692001 /nfs/dbraw/zinc/69/20/01/823692001.db2.gz DEQOAPWGSNMAFP-UHFFFAOYSA-N 1 1 393.531 4.194 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cccc(F)c1)Cc1cc(Br)ccc1F ZINC000063742188 823693078 /nfs/dbraw/zinc/69/30/78/823693078.db2.gz SVUREYPPGUBNBI-UHFFFAOYSA-N 1 1 383.236 4.188 20 0 GIADMO CCC[N@@H+](C)CC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC000063761962 823693902 /nfs/dbraw/zinc/69/39/02/823693902.db2.gz VKPGCQSFQKXXGZ-UHFFFAOYSA-N 1 1 391.309 4.308 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063758880 823693948 /nfs/dbraw/zinc/69/39/48/823693948.db2.gz HNOLLQVKDXMXDF-HDICACEKSA-N 1 1 381.564 4.268 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)Cc1cccc(C(N)=O)c1 ZINC000063763473 823693997 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/nfs/dbraw/zinc/70/21/49/823702149.db2.gz ROLICIQFZPJFGZ-RXVVDRJESA-N 1 1 377.532 4.308 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)C(=O)Nc3cc(C)ccc3C)C2)s1 ZINC000574320387 823702219 /nfs/dbraw/zinc/70/22/19/823702219.db2.gz PDVNSFUQGTZBKA-WOJBJXKFSA-N 1 1 399.604 4.454 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(Cl)sc1Cl ZINC000125738173 823702426 /nfs/dbraw/zinc/70/24/26/823702426.db2.gz REWZYVAXLHKJFW-JTQLQIEISA-N 1 1 378.346 4.450 20 0 GIADMO Cc1cccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)cs2)c1 ZINC000163337168 823702561 /nfs/dbraw/zinc/70/25/61/823702561.db2.gz RFYILYJVEDBJOM-SFHVURJKSA-N 1 1 385.577 4.145 20 0 GIADMO CS(=O)(=O)c1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1Cl ZINC000574322930 823702656 /nfs/dbraw/zinc/70/26/56/823702656.db2.gz UMUQVXXKYSJANB-UHFFFAOYSA-N 1 1 383.844 4.114 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125750213 823703844 /nfs/dbraw/zinc/70/38/44/823703844.db2.gz NZVCELMRKNBJBX-UHFFFAOYSA-N 1 1 394.559 4.474 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000125758625 823705182 /nfs/dbraw/zinc/70/51/82/823705182.db2.gz NWVNYMAPYXTUSJ-AVRDEDQJSA-N 1 1 398.526 4.121 20 0 GIADMO CCc1c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccccc1Cl ZINC000191590437 823705523 /nfs/dbraw/zinc/70/55/23/823705523.db2.gz ZJDMSCLPWLRAKO-CABCVRRESA-N 1 1 389.931 4.035 20 0 GIADMO COC(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)nc1C1CC1 ZINC000574366912 823710291 /nfs/dbraw/zinc/71/02/91/823710291.db2.gz ZONJWULXKNIEBK-UHFFFAOYSA-N 1 1 380.419 4.435 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1c(F)cccc1N1CCCC1 ZINC000574365945 823710397 /nfs/dbraw/zinc/71/03/97/823710397.db2.gz LQAQTGYNWRGEIP-OAQYLSRUSA-N 1 1 396.554 4.307 20 0 GIADMO C[C@H](c1cccnc1)[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413141423 823714181 /nfs/dbraw/zinc/71/41/81/823714181.db2.gz MOEKNXYFJXHWBP-OAHLLOKOSA-N 1 1 397.320 4.276 20 0 GIADMO CC[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)s1 ZINC000163542844 823719478 /nfs/dbraw/zinc/71/94/78/823719478.db2.gz NDLPRKIKODFNOL-HNNXBMFYSA-N 1 1 386.005 4.069 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(c4ccncc4)CC3)cs2)cc1 ZINC000191637257 823721088 /nfs/dbraw/zinc/72/10/88/823721088.db2.gz YEWWLWZUBWVCSL-UHFFFAOYSA-N 1 1 393.512 4.371 20 0 GIADMO CC[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)CC(F)(F)F ZINC000413183613 823723348 /nfs/dbraw/zinc/72/33/48/823723348.db2.gz MSGBUHQLYBRVMT-ZDUSSCGKSA-N 1 1 386.393 4.098 20 0 GIADMO COc1cc(C[NH2+][C@H]2CCCc3c(O)cccc32)c(Br)cc1O ZINC000191655131 823725037 /nfs/dbraw/zinc/72/50/37/823725037.db2.gz WFSUNWCZHMLRNH-HNNXBMFYSA-N 1 1 378.266 4.036 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NCCc2ccc(F)cc2F)CC1)CC1CC1 ZINC000574421818 823725232 /nfs/dbraw/zinc/72/52/32/823725232.db2.gz GNNBVBFUGMXBNI-UHFFFAOYSA-N 1 1 393.522 4.051 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)CC[C@H]1C(F)(F)F ZINC000191659117 823725624 /nfs/dbraw/zinc/72/56/24/823725624.db2.gz HLIDFUKHIUHXLT-GOSISDBHSA-N 1 1 398.469 4.098 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCSC2(CCC2)CC1 ZINC000413199753 823726216 /nfs/dbraw/zinc/72/62/16/823726216.db2.gz JJPKSFPMQJGNHC-KRWDZBQOSA-N 1 1 393.622 4.031 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191662143 823726426 /nfs/dbraw/zinc/72/64/26/823726426.db2.gz FNZCJDHOFAOYJY-HNNXBMFYSA-N 1 1 375.394 4.465 20 0 GIADMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)o1 ZINC000125853902 823729138 /nfs/dbraw/zinc/72/91/38/823729138.db2.gz XNZINEMNHBOXLR-RXVVDRJESA-N 1 1 389.499 4.431 20 0 GIADMO Fc1ccc(OC2CC[NH+](Cc3cnc(-c4cccs4)s3)CC2)cn1 ZINC000191675507 823729323 /nfs/dbraw/zinc/72/93/23/823729323.db2.gz ASAHPNPXTIBOBE-UHFFFAOYSA-N 1 1 375.494 4.449 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[NH+]3CCC(c4ccncc4)CC3)cs2)c1 ZINC000191678735 823730670 /nfs/dbraw/zinc/73/06/70/823730670.db2.gz JFCVJENYGOUVLW-UHFFFAOYSA-N 1 1 393.512 4.371 20 0 GIADMO O=C(NC1CCCCC1)C1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000063995164 823731034 /nfs/dbraw/zinc/73/10/34/823731034.db2.gz HECBGXUYAJUIMK-UHFFFAOYSA-N 1 1 375.582 4.462 20 0 GIADMO CC(C)(C)OCc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000125859827 823731283 /nfs/dbraw/zinc/73/12/83/823731283.db2.gz YQHGSOAWTZVUBR-RBBKRZOGSA-N 1 1 399.579 4.160 20 0 GIADMO CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653587 823733001 /nfs/dbraw/zinc/73/30/01/823733001.db2.gz WFHCFRJHQITFCQ-RDTXWAMCSA-N 1 1 376.342 4.159 20 0 GIADMO CCN1CC[C@@H]([N@@H+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653587 823733006 /nfs/dbraw/zinc/73/30/06/823733006.db2.gz WFHCFRJHQITFCQ-RDTXWAMCSA-N 1 1 376.342 4.159 20 0 GIADMO CC(C)c1c(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000191704702 823741447 /nfs/dbraw/zinc/74/14/47/823741447.db2.gz PBMJFSIGFGFYIS-OAHLLOKOSA-N 1 1 389.931 4.112 20 0 GIADMO Cc1cccc2c(CCC(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)c[nH]c21 ZINC000163777184 823747718 /nfs/dbraw/zinc/74/77/18/823747718.db2.gz OQQKHEBMSQSIEN-OAQYLSRUSA-N 1 1 389.543 4.090 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)sc1Cl ZINC000163794461 823749176 /nfs/dbraw/zinc/74/91/76/823749176.db2.gz KXPWAYARHJCXOI-NSHDSACASA-N 1 1 387.332 4.373 20 0 GIADMO CCN(Cc1occc1C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000413323182 823752546 /nfs/dbraw/zinc/75/25/46/823752546.db2.gz HRNLNQDFEDFYOQ-APWZRJJASA-N 1 1 375.538 4.264 20 0 GIADMO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)oc1C ZINC000064140491 823753503 /nfs/dbraw/zinc/75/35/03/823753503.db2.gz POORXIWRTAQSGO-UHFFFAOYSA-N 1 1 385.508 4.477 20 0 GIADMO CC[NH+]1CCN(CC(C)(C)Nc2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC000413331682 823754167 /nfs/dbraw/zinc/75/41/67/823754167.db2.gz ZKYMCPMVRJDSOL-UHFFFAOYSA-N 1 1 397.901 4.049 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)NCc2cnccc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000413351061 823757674 /nfs/dbraw/zinc/75/76/74/823757674.db2.gz AGBKLPPMPSPVSU-RXVVDRJESA-N 1 1 394.563 4.231 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NCc2cnccc2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000413351062 823757815 /nfs/dbraw/zinc/75/78/15/823757815.db2.gz AGBKLPPMPSPVSU-WIYYLYMNSA-N 1 1 394.563 4.231 20 0 GIADMO OC[C@]1(c2ccccc2)CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000461930668 823762005 /nfs/dbraw/zinc/76/20/05/823762005.db2.gz ICGIWBYAOOAGJG-FQEVSTJZSA-N 1 1 383.289 4.138 20 0 GIADMO C[C@H](Oc1ccccc1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C(F)(F)F ZINC000574551618 823762339 /nfs/dbraw/zinc/76/23/39/823762339.db2.gz HXKILLGAKWCIER-GJZGRUSLSA-N 1 1 387.446 4.354 20 0 GIADMO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2sc(-c3ccccc3)nc2C)cn1C ZINC000574557107 823765638 /nfs/dbraw/zinc/76/56/38/823765638.db2.gz NBVZVZJZCVZIBT-OAHLLOKOSA-N 1 1 383.517 4.437 20 0 GIADMO CC(=O)c1c(C)oc2ncnc(NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)c21 ZINC000574564876 823768372 /nfs/dbraw/zinc/76/83/72/823768372.db2.gz JDCUSQLSMOMZGV-LJQANCHMSA-N 1 1 392.503 4.448 20 0 GIADMO C[C@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413399562 823768773 /nfs/dbraw/zinc/76/87/73/823768773.db2.gz HKWCWENGNIRVLG-JZXOWHBKSA-N 1 1 385.474 4.175 20 0 GIADMO COc1cc([C@H](C)[NH2+]C2CCN(C(C)C)CC2)ccc1OCc1ccncc1 ZINC000164065943 823774638 /nfs/dbraw/zinc/77/46/38/823774638.db2.gz WCADYSDLJLZLAE-SFHVURJKSA-N 1 1 383.536 4.193 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2OCC(C)C)c1 ZINC000064226245 823774757 /nfs/dbraw/zinc/77/47/57/823774757.db2.gz WEQMNKDMYQRDIC-UHFFFAOYSA-N 1 1 383.536 4.173 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000064228387 823775775 /nfs/dbraw/zinc/77/57/75/823775775.db2.gz MXLGPVODFMFHKD-UHFFFAOYSA-N 1 1 378.520 4.236 20 0 GIADMO CC[C@H](C)Oc1cccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)c1 ZINC000064240711 823778861 /nfs/dbraw/zinc/77/88/61/823778861.db2.gz WUOPKVFNUUYDDF-JXFKEZNVSA-N 1 1 385.508 4.297 20 0 GIADMO COc1cccc(C2(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)CC2)c1 ZINC000461978417 823780197 /nfs/dbraw/zinc/78/01/97/823780197.db2.gz RQABKKMMQIOZMO-PMACEKPBSA-N 1 1 399.579 4.023 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000164171906 823783877 /nfs/dbraw/zinc/78/38/77/823783877.db2.gz MSEBVJBZCIESEZ-PMPSAXMXSA-N 1 1 385.474 4.181 20 0 GIADMO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)s1 ZINC000164195090 823785378 /nfs/dbraw/zinc/78/53/78/823785378.db2.gz BVKHSHGDWMHHFM-OCCSQVGLSA-N 1 1 375.567 4.202 20 0 GIADMO COC(=O)c1coc([C@@H](C)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000574634245 823786784 /nfs/dbraw/zinc/78/67/84/823786784.db2.gz SBWLTNQCPGPYQU-WBMJQRKESA-N 1 1 384.398 4.039 20 0 GIADMO O=C(NCCCc1ccccc1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000064316862 823790068 /nfs/dbraw/zinc/79/00/68/823790068.db2.gz RKKDCGFVRBQFOM-NRFANRHFSA-N 1 1 390.449 4.190 20 0 GIADMO COc1cc(C)c([C@H](C)[NH2+]Cc2nccn2CCc2ccccc2)cc1OC ZINC000164252921 823790164 /nfs/dbraw/zinc/79/01/64/823790164.db2.gz ZSDFVPGLQGODOK-SFHVURJKSA-N 1 1 379.504 4.302 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000462001157 823790160 /nfs/dbraw/zinc/79/01/60/823790160.db2.gz GUPKHOHPHYTCPE-IEBWSBKVSA-N 1 1 399.539 4.094 20 0 GIADMO COc1cc(C)c([C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)cc1OC ZINC000164252797 823790370 /nfs/dbraw/zinc/79/03/70/823790370.db2.gz ZSDFVPGLQGODOK-GOSISDBHSA-N 1 1 379.504 4.302 20 0 GIADMO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)o1 ZINC000164260575 823791096 /nfs/dbraw/zinc/79/10/96/823791096.db2.gz FIPMZBHYZQGCKV-HNNXBMFYSA-N 1 1 386.473 4.030 20 0 GIADMO CC(C)c1c(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000574660776 823793507 /nfs/dbraw/zinc/79/35/07/823793507.db2.gz BZFUUEYYPWPDPM-KRWDZBQOSA-N 1 1 398.526 4.081 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cc(-c2ccccc2)ns1 ZINC000462010765 823793686 /nfs/dbraw/zinc/79/36/86/823793686.db2.gz UDMRCNYNVPNZMC-LJQANCHMSA-N 1 1 391.540 4.105 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCC=C(F)C1 ZINC000462012081 823793724 /nfs/dbraw/zinc/79/37/24/823793724.db2.gz VSFFQNRHAKVJED-UHFFFAOYSA-N 1 1 386.298 4.227 20 0 GIADMO CCO[C@H](CC)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574661767 823793794 /nfs/dbraw/zinc/79/37/94/823793794.db2.gz SQVKUMCKMQGKDS-CUCSMPGESA-N 1 1 378.944 4.185 20 0 GIADMO CSCC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)c1nnc2ccccn21 ZINC000164293124 823793810 /nfs/dbraw/zinc/79/38/10/823793810.db2.gz CVBASGIOEDRMQW-RHSMWYFYSA-N 1 1 387.528 4.079 20 0 GIADMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000164319541 823795783 /nfs/dbraw/zinc/79/57/83/823795783.db2.gz JDUUQKYWDVVZTA-GOSISDBHSA-N 1 1 376.504 4.325 20 0 GIADMO CC[N@@H+](CC(=O)NCc1cccc(COC)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000064349350 823798692 /nfs/dbraw/zinc/79/86/92/823798692.db2.gz KYVNDTWXSAROMD-KRWDZBQOSA-N 1 1 380.488 4.279 20 0 GIADMO C[C@H]1[C@@H](CO)CCCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000413582894 823800650 /nfs/dbraw/zinc/80/06/50/823800650.db2.gz ATHQFZAUNHNJRK-DOTOQJQBSA-N 1 1 396.560 4.017 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)c(OC)c1 ZINC000164417244 823801826 /nfs/dbraw/zinc/80/18/26/823801826.db2.gz NULLZJAOOFJMLL-KRWDZBQOSA-N 1 1 375.440 4.244 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000164442778 823803232 /nfs/dbraw/zinc/80/32/32/823803232.db2.gz HFKDXBUVXJDTQC-AWEZNQCLSA-N 1 1 399.466 4.196 20 0 GIADMO CCCCN1CCC([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000164452577 823803827 /nfs/dbraw/zinc/80/38/27/823803827.db2.gz QSDOVMRSLOGHKZ-OAHLLOKOSA-N 1 1 385.474 4.277 20 0 GIADMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3cccc(-c4cccs4)c3)C2)CC1 ZINC000126167631 823803925 /nfs/dbraw/zinc/80/39/25/823803925.db2.gz DVGGLBXGKSZTJF-FQEVSTJZSA-N 1 1 398.576 4.049 20 0 GIADMO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1)OCCO3 ZINC000191889032 823804875 /nfs/dbraw/zinc/80/48/75/823804875.db2.gz TVUDYOOBIQTPSE-IRXDYDNUSA-N 1 1 397.515 4.132 20 0 GIADMO Cc1cccc(-c2cccc(CNC(=O)c3cc(C[NH+]4CCCC4)on3)c2)c1 ZINC000462035278 823805265 /nfs/dbraw/zinc/80/52/65/823805265.db2.gz HUPONLBYXYSTRF-UHFFFAOYSA-N 1 1 375.472 4.176 20 0 GIADMO Cn1cc(-c2ccc(C[N@H+]3CCCN(c4ccc(F)c(F)c4)CC3)s2)cn1 ZINC000574710190 823805420 /nfs/dbraw/zinc/80/54/20/823805420.db2.gz UPAHHWRRDNDXFP-UHFFFAOYSA-N 1 1 388.487 4.139 20 0 GIADMO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000164513537 823806818 /nfs/dbraw/zinc/80/68/18/823806818.db2.gz UPVUIQHIHRQKML-FQEVSTJZSA-N 1 1 397.563 4.182 20 0 GIADMO COc1ccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)c(OC)c1OC ZINC000164526766 823807179 /nfs/dbraw/zinc/80/71/79/823807179.db2.gz KRDDORZCOCNPIU-INIZCTEOSA-N 1 1 377.868 4.369 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)c(OC)c1OC ZINC000164528649 823807295 /nfs/dbraw/zinc/80/72/95/823807295.db2.gz IBHBBELHKAYTLJ-ZDUSSCGKSA-N 1 1 381.419 4.473 20 0 GIADMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(OCc3ccc(F)cc3)cc1)C[C@@H](C)O2 ZINC000574716884 823807651 /nfs/dbraw/zinc/80/76/51/823807651.db2.gz XIHDPEJDRSJSHT-STSQHVNTSA-N 1 1 385.479 4.173 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCCCC[C@@H]3[C@H]3CCCCC3=O)CC2)[nH+]c1 ZINC000164573070 823809306 /nfs/dbraw/zinc/80/93/06/823809306.db2.gz YYRAIAFILGRLEJ-NHCUHLMSSA-N 1 1 397.563 4.137 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc(Oc4ccccc4)ccc3O)n1)OC2 ZINC000574724226 823810064 /nfs/dbraw/zinc/81/00/64/823810064.db2.gz BPXCPJXQEWSWET-KNQAVFIVSA-N 1 1 393.443 4.160 20 0 GIADMO Oc1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc(C(F)(F)F)c1 ZINC000574731697 823812841 /nfs/dbraw/zinc/81/28/41/823812841.db2.gz ISNWOAMZRRDTMW-UHFFFAOYSA-N 1 1 393.331 4.463 20 0 GIADMO C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3sc(Cl)cc32)[C@@H](c2ccccc2)C1 ZINC000462053821 823814190 /nfs/dbraw/zinc/81/41/90/823814190.db2.gz MYGYOEWFNKPMCA-HZPDHXFCSA-N 1 1 375.925 4.087 20 0 GIADMO C[N@H+]1CCN(C(=O)N[C@@H]2CCc3sc(Cl)cc32)[C@@H](c2ccccc2)C1 ZINC000462053821 823814199 /nfs/dbraw/zinc/81/41/99/823814199.db2.gz MYGYOEWFNKPMCA-HZPDHXFCSA-N 1 1 375.925 4.087 20 0 GIADMO C[C@@H]1CCc2c(sc3nc(C[NH2+][C@@H]4CCO[C@@H]4c4ccccc4)nc(N)c23)C1 ZINC000191931912 823814800 /nfs/dbraw/zinc/81/48/00/823814800.db2.gz USUIOZWEXRWSBW-OWDMVUQNSA-N 1 1 394.544 4.018 20 0 GIADMO CSc1cccc(C)c1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191937178 823816466 /nfs/dbraw/zinc/81/64/66/823816466.db2.gz AUBSMPIOSOOAKZ-IBGZPJMESA-N 1 1 399.560 4.130 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000126228935 823816487 /nfs/dbraw/zinc/81/64/87/823816487.db2.gz JQQADRBXOJWXEY-OALUTQOASA-N 1 1 394.563 4.468 20 0 GIADMO Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000064447790 823820425 /nfs/dbraw/zinc/82/04/25/823820425.db2.gz ZFAOCRLSPHVAID-UHFFFAOYSA-N 1 1 391.437 4.145 20 0 GIADMO CCc1c(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cnn1C(CC)CC ZINC000574767745 823821680 /nfs/dbraw/zinc/82/16/80/823821680.db2.gz AHUFPQFUWZXQJA-MRXNPFEDSA-N 1 1 375.561 4.145 20 0 GIADMO CSCC[C@@H](C)[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000126261375 823823629 /nfs/dbraw/zinc/82/36/29/823823629.db2.gz OIAOMLKGSZQRSG-SECBINFHSA-N 1 1 376.345 4.134 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCCOc2ccc(F)cc2)CC1 ZINC000064480739 823827990 /nfs/dbraw/zinc/82/79/90/823827990.db2.gz IGHFBCHUEMZDRT-UHFFFAOYSA-N 1 1 390.886 4.096 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCOc2ccc(Cl)cc2)CC1 ZINC000064481148 823828167 /nfs/dbraw/zinc/82/81/67/823828167.db2.gz DNGUTEPLYPMQOV-UHFFFAOYSA-N 1 1 393.314 4.220 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000064482189 823828609 /nfs/dbraw/zinc/82/86/09/823828609.db2.gz BXSPOLSDIUOFTB-UHFFFAOYSA-N 1 1 394.849 4.290 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000064482189 823828613 /nfs/dbraw/zinc/82/86/13/823828613.db2.gz BXSPOLSDIUOFTB-UHFFFAOYSA-N 1 1 394.849 4.290 20 0 GIADMO CC[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000413735896 823828641 /nfs/dbraw/zinc/82/86/41/823828641.db2.gz IZUVIEQJKBJLMZ-YLJYHZDGSA-N 1 1 397.485 4.273 20 0 GIADMO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191980504 823830691 /nfs/dbraw/zinc/83/06/91/823830691.db2.gz RQGRRODQTOQQRR-HOCLYGCPSA-N 1 1 394.309 4.080 20 0 GIADMO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191980504 823830692 /nfs/dbraw/zinc/83/06/92/823830692.db2.gz RQGRRODQTOQQRR-HOCLYGCPSA-N 1 1 394.309 4.080 20 0 GIADMO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000126292352 823831750 /nfs/dbraw/zinc/83/17/50/823831750.db2.gz HAMCKGCWGUGAST-JXFKEZNVSA-N 1 1 380.488 4.236 20 0 GIADMO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000413751333 823833705 /nfs/dbraw/zinc/83/37/05/823833705.db2.gz UOWGHXDHCQRZJF-YTQUADARSA-N 1 1 397.485 4.271 20 0 GIADMO O=C(CCc1ccc(Cl)s1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521310 823835167 /nfs/dbraw/zinc/83/51/67/823835167.db2.gz ZUWWMGCAHKBXAL-AWEZNQCLSA-N 1 1 382.982 4.424 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192017339 823835474 /nfs/dbraw/zinc/83/54/74/823835474.db2.gz GGQKGMYFLUTWDX-HXUWFJFHSA-N 1 1 381.520 4.207 20 0 GIADMO O=C(CCOc1cccc(Cl)c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521481 823835693 /nfs/dbraw/zinc/83/56/93/823835693.db2.gz QNUCYACJUDFVML-INIZCTEOSA-N 1 1 392.952 4.199 20 0 GIADMO Cc1ccc(C)c(SCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064522098 823836061 /nfs/dbraw/zinc/83/60/61/823836061.db2.gz GJRWNQIXHVKMTQ-SFHVURJKSA-N 1 1 388.602 4.485 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)CC(F)(F)F)CC1)CC1CC1 ZINC000413765271 823837019 /nfs/dbraw/zinc/83/70/19/823837019.db2.gz OESWPWKBTUCGMC-OAHLLOKOSA-N 1 1 377.495 4.119 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000574836735 823837872 /nfs/dbraw/zinc/83/78/72/823837872.db2.gz YIXBYUCVYWQIQB-WMZHIEFXSA-N 1 1 377.532 4.150 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)n1 ZINC000192036078 823839578 /nfs/dbraw/zinc/83/95/78/823839578.db2.gz XEYIBZPLJNTYDA-UHFFFAOYSA-N 1 1 393.578 4.453 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3sccc3Br)C2)n1 ZINC000165208688 823839884 /nfs/dbraw/zinc/83/98/84/823839884.db2.gz NQZNZNWSYKEJRL-CYBMUJFWSA-N 1 1 394.338 4.065 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000126326033 823840830 /nfs/dbraw/zinc/84/08/30/823840830.db2.gz OQJILHDRGXOMSH-IBGZPJMESA-N 1 1 399.579 4.170 20 0 GIADMO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)o1 ZINC000165238623 823840981 /nfs/dbraw/zinc/84/09/81/823840981.db2.gz CGZLJEPAPPBXRC-OXJNMPFZSA-N 1 1 383.492 4.193 20 0 GIADMO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307582 823843151 /nfs/dbraw/zinc/84/31/51/823843151.db2.gz RUHKPYIXYSRTEF-FPOVZHCZSA-N 1 1 380.532 4.063 20 0 GIADMO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307582 823843158 /nfs/dbraw/zinc/84/31/58/823843158.db2.gz RUHKPYIXYSRTEF-FPOVZHCZSA-N 1 1 380.532 4.063 20 0 GIADMO COc1ccccc1-c1nnc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000192049929 823844287 /nfs/dbraw/zinc/84/42/87/823844287.db2.gz CWOWZOPDHPFNJY-APWZRJJASA-N 1 1 385.851 4.018 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3cccc(-c4ccccn4)c3C)sc2C1 ZINC000165365354 823845448 /nfs/dbraw/zinc/84/54/48/823845448.db2.gz BVJYXNNVLLQJDN-UHFFFAOYSA-N 1 1 378.501 4.144 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3cccc(-c4ccccn4)c3C)sc2C1 ZINC000165365354 823845451 /nfs/dbraw/zinc/84/54/51/823845451.db2.gz BVJYXNNVLLQJDN-UHFFFAOYSA-N 1 1 378.501 4.144 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000192059573 823847369 /nfs/dbraw/zinc/84/73/69/823847369.db2.gz PFPOGWLVAZPQSL-AZUAARDMSA-N 1 1 399.878 4.409 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)n2)ccc1C ZINC000192062086 823847906 /nfs/dbraw/zinc/84/79/06/823847906.db2.gz YNECXISOSPIMSX-FXAWDEMLSA-N 1 1 399.878 4.327 20 0 GIADMO CN(C(=O)NCc1ccc2sccc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462165541 823850442 /nfs/dbraw/zinc/85/04/42/823850442.db2.gz JSQKZYNPEVHODE-FQEVSTJZSA-N 1 1 379.529 4.317 20 0 GIADMO C[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462166216 823851004 /nfs/dbraw/zinc/85/10/04/823851004.db2.gz FECWJOUWPRHZMS-GDBMZVCRSA-N 1 1 383.458 4.140 20 0 GIADMO CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000165544009 823853001 /nfs/dbraw/zinc/85/30/01/823853001.db2.gz WETWTRVWYZGRLW-UXHICEINSA-N 1 1 392.975 4.141 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccccc2NCc2ccco2)CC1 ZINC000574896808 823854816 /nfs/dbraw/zinc/85/48/16/823854816.db2.gz PEMLOJOHZQSCQP-UHFFFAOYSA-N 1 1 391.471 4.279 20 0 GIADMO CC(C)(Cc1ccccc1)c1noc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000574896528 823854945 /nfs/dbraw/zinc/85/49/45/823854945.db2.gz YKFADINROCNZSM-FQEVSTJZSA-N 1 1 376.504 4.365 20 0 GIADMO CCC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@H]1CCc2ccccc2C1 ZINC000064632781 823855869 /nfs/dbraw/zinc/85/58/69/823855869.db2.gz AFJBDJSRCMLVPG-OALUTQOASA-N 1 1 382.470 4.057 20 0 GIADMO COc1ccc(C[N@@H+](C[C@@H](O)c2cc(OC)ccc2OC)[C@@H](C)C2CC2)cc1 ZINC000064641535 823856316 /nfs/dbraw/zinc/85/63/16/823856316.db2.gz XUALZGFGAWDUNL-KSFYIVLOSA-N 1 1 385.504 4.047 20 0 GIADMO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CCCCC1 ZINC000192101595 823859899 /nfs/dbraw/zinc/85/98/99/823859899.db2.gz JJNXKWJFGGGXHB-UYHISHBKSA-N 1 1 393.894 4.152 20 0 GIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NCc2ccc(-c3ccccc3)o2)C1 ZINC000126421936 823862843 /nfs/dbraw/zinc/86/28/43/823862843.db2.gz HJJXGYXZMRYQDW-FQEVSTJZSA-N 1 1 389.499 4.256 20 0 GIADMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)cc1 ZINC000126422901 823863237 /nfs/dbraw/zinc/86/32/37/823863237.db2.gz LRUFLXFRSSNLKU-HXUWFJFHSA-N 1 1 391.471 4.007 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000462193713 823863558 /nfs/dbraw/zinc/86/35/58/823863558.db2.gz FSOSIRQKNMMSPT-SNVBAGLBSA-N 1 1 394.422 4.455 20 0 GIADMO CCc1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)n2)cc1 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C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000064725836 823872410 /nfs/dbraw/zinc/87/24/10/823872410.db2.gz DJMVTUOYTQTTDH-IJEWVQPXSA-N 1 1 385.335 4.236 20 0 GIADMO CC(C)[C@H]1C[N@@H+](C)CCN1c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000574961904 823872963 /nfs/dbraw/zinc/87/29/63/823872963.db2.gz NVMXRQAGESMRGS-QGZVFWFLSA-N 1 1 393.560 4.018 20 0 GIADMO COc1ccc2nc(C)c(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cc2c1 ZINC000064735264 823875374 /nfs/dbraw/zinc/87/53/74/823875374.db2.gz YWEWVXAVELXLDT-JTDSTZFVSA-N 1 1 381.520 4.029 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166374582 823877046 /nfs/dbraw/zinc/87/70/46/823877046.db2.gz WAVUFPPGCDLBJJ-IRXDYDNUSA-N 1 1 397.519 4.015 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000462219922 823878408 /nfs/dbraw/zinc/87/84/08/823878408.db2.gz BQWSCTGUIKVVMZ-UZLBHIALSA-N 1 1 387.474 4.334 20 0 GIADMO COC(=O)CCn1nc(C)c(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1C 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NGORDSJHYOCOIT-KBPBESRZSA-N 1 1 378.438 4.477 20 0 GIADMO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(-n4ccnc4)cc3C)n2)c1 ZINC000192184777 823895937 /nfs/dbraw/zinc/89/59/37/823895937.db2.gz WZCJRXIEUPZTFT-MRXNPFEDSA-N 1 1 389.459 4.090 20 0 GIADMO COc1ccc([C@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc1NC(C)=O ZINC000167869684 823897090 /nfs/dbraw/zinc/89/70/90/823897090.db2.gz NVKMLIJZSRAJIO-DLBZAZTESA-N 1 1 383.536 4.434 20 0 GIADMO CC(C)OCC[NH+]1CCC(NCc2ccc(Br)c(Cl)c2)CC1 ZINC000192195290 823898201 /nfs/dbraw/zinc/89/82/01/823898201.db2.gz AREXAQLNAAZDDH-UHFFFAOYSA-N 1 1 389.765 4.082 20 0 GIADMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167901907 823898303 /nfs/dbraw/zinc/89/83/03/823898303.db2.gz FXVFFSKSURWXPG-SIFCLUCFSA-N 1 1 384.395 4.276 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000167927230 823898376 /nfs/dbraw/zinc/89/83/76/823898376.db2.gz DFHCOQJYEGWPJF-CVEARBPZSA-N 1 1 393.304 4.415 20 0 GIADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000126561167 823899105 /nfs/dbraw/zinc/89/91/05/823899105.db2.gz UUBYQUXKLQNAAH-CQSZACIVSA-N 1 1 382.335 4.152 20 0 GIADMO O=C(CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044870 823899082 /nfs/dbraw/zinc/89/90/82/823899082.db2.gz AMYYJPQKBYOAOD-HXUWFJFHSA-N 1 1 383.923 4.065 20 0 GIADMO O=C(C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044870 823899090 /nfs/dbraw/zinc/89/90/90/823899090.db2.gz AMYYJPQKBYOAOD-HXUWFJFHSA-N 1 1 383.923 4.065 20 0 GIADMO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000168246043 823901637 /nfs/dbraw/zinc/90/16/37/823901637.db2.gz ZVBVZWSPUJOQQT-ZIAGYGMSSA-N 1 1 376.522 4.420 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1ccn(C)n1 ZINC000414073500 823901888 /nfs/dbraw/zinc/90/18/88/823901888.db2.gz MDVGJUZBRLDPCS-MRXNPFEDSA-N 1 1 385.895 4.382 20 0 GIADMO COC(=O)c1cnc([C@H](C)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000414075790 823902541 /nfs/dbraw/zinc/90/25/41/823902541.db2.gz XVHZUWLRARZDFV-CVEARBPZSA-N 1 1 387.549 4.155 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000462259037 823902583 /nfs/dbraw/zinc/90/25/83/823902583.db2.gz MNSSUCUIGBJPAY-QRWLVFNGSA-N 1 1 390.487 4.347 20 0 GIADMO O=c1[nH]c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000575065822 823902708 /nfs/dbraw/zinc/90/27/08/823902708.db2.gz FNSDNIBYSPIHLI-QAPCUYQASA-N 1 1 390.270 4.262 20 0 GIADMO COc1cc(F)c([C@@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000168558448 823903481 /nfs/dbraw/zinc/90/34/81/823903481.db2.gz FCJIUAVFGBNVRF-JKSUJKDBSA-N 1 1 390.499 4.195 20 0 GIADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000575074922 823905067 /nfs/dbraw/zinc/90/50/67/823905067.db2.gz OILUSPLWZZHXKI-MSOLQXFVSA-N 1 1 395.469 4.025 20 0 GIADMO O=C(CSCc1ccc(Cl)cc1Cl)NCc1c[nH+]c2n1CCCC2 ZINC000575077832 823905547 /nfs/dbraw/zinc/90/55/47/823905547.db2.gz RPWDZPRTPRLRBG-UHFFFAOYSA-N 1 1 384.332 4.076 20 0 GIADMO Nc1cc2ccccc2cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000168786669 823906170 /nfs/dbraw/zinc/90/61/70/823906170.db2.gz DKTCKJIAWPCSDJ-FRIKZZABSA-N 1 1 385.511 4.347 20 0 GIADMO Cc1cc(CNC(=O)N2C[C@H](C(C)C)c3ccccc32)cc(N2CCCC2)[nH+]1 ZINC000462267609 823906425 /nfs/dbraw/zinc/90/64/25/823906425.db2.gz ODENBCFEAKJTSL-HXUWFJFHSA-N 1 1 378.520 4.460 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=S)NCCSc2ccccc2)C1 ZINC000064894655 823906936 /nfs/dbraw/zinc/90/69/36/823906936.db2.gz DIRLGESMTIWQTA-HKUYNNGSSA-N 1 1 385.602 4.078 20 0 GIADMO CC(C)OCc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462269174 823907413 /nfs/dbraw/zinc/90/74/13/823907413.db2.gz RRCNGFUKRDZGOS-AVRDEDQJSA-N 1 1 381.520 4.254 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1csc(-c2ccccc2)n1 ZINC000414093104 823907585 /nfs/dbraw/zinc/90/75/85/823907585.db2.gz MAZBARLNFLYBMM-QFBILLFUSA-N 1 1 377.513 4.262 20 0 GIADMO C[N@@H+]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H](c2ccccc2)C1 ZINC000575085479 823907844 /nfs/dbraw/zinc/90/78/44/823907844.db2.gz OAXYMHXXIMLWRN-LJQANCHMSA-N 1 1 376.460 4.226 20 0 GIADMO C[N@H+]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H](c2ccccc2)C1 ZINC000575085479 823907853 /nfs/dbraw/zinc/90/78/53/823907853.db2.gz OAXYMHXXIMLWRN-LJQANCHMSA-N 1 1 376.460 4.226 20 0 GIADMO Cc1cc(CNC(=O)N2CC3(CCC3)c3ccccc32)cc(N2CCCC2)[nH+]1 ZINC000462272415 823908499 /nfs/dbraw/zinc/90/84/99/823908499.db2.gz AAENVDANOYUOCQ-UHFFFAOYSA-N 1 1 376.504 4.142 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccn(C)n1 ZINC000414100024 823909808 /nfs/dbraw/zinc/90/98/08/823909808.db2.gz JVTDGJOHEOEDRN-ZDUSSCGKSA-N 1 1 376.382 4.477 20 0 GIADMO Cc1cccnc1OC1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000575097558 823911565 /nfs/dbraw/zinc/91/15/65/823911565.db2.gz BNIIXHZAGPCNOD-MJGOQNOKSA-N 1 1 399.560 4.047 20 0 GIADMO C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414109618 823911655 /nfs/dbraw/zinc/91/16/55/823911655.db2.gz HMDMDVOKURQJQY-FDDCHVKYSA-N 1 1 393.556 4.098 20 0 GIADMO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000414113101 823912523 /nfs/dbraw/zinc/91/25/23/823912523.db2.gz KCHZJLUGCCOBQZ-HNNXBMFYSA-N 1 1 399.516 4.006 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](c3ccccc3)n3cccn3)cc2)C1 ZINC000064918138 823912537 /nfs/dbraw/zinc/91/25/37/823912537.db2.gz WQLJNUDHBDDFAV-XXBNENTESA-N 1 1 388.515 4.343 20 0 GIADMO Brc1cccc([C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)c2ccccc2)c1 ZINC000414114240 823912761 /nfs/dbraw/zinc/91/27/61/823912761.db2.gz AIJPTEUHXFRNLK-FXAWDEMLSA-N 1 1 382.305 4.409 20 0 GIADMO Brc1cccc([C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)c2ccccc2)c1 ZINC000414114243 823913101 /nfs/dbraw/zinc/91/31/01/823913101.db2.gz AIJPTEUHXFRNLK-PXNSSMCTSA-N 1 1 382.305 4.409 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1csc(-c2ccccc2)n1 ZINC000414129433 823915794 /nfs/dbraw/zinc/91/57/94/823915794.db2.gz IFJVOEAZUHDFBL-HNAYVOBHSA-N 1 1 395.503 4.401 20 0 GIADMO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130824 823916650 /nfs/dbraw/zinc/91/66/50/823916650.db2.gz WXWYYFMASBNFAO-QOKNQOGYSA-N 1 1 380.458 4.173 20 0 GIADMO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130824 823916657 /nfs/dbraw/zinc/91/66/57/823916657.db2.gz WXWYYFMASBNFAO-QOKNQOGYSA-N 1 1 380.458 4.173 20 0 GIADMO COCCC[C@H]([NH2+]Cc1ccc2cncn2c1)c1ccc(Br)cc1 ZINC000414145830 823918258 /nfs/dbraw/zinc/91/82/58/823918258.db2.gz BHCATYIMFUCAPJ-IBGZPJMESA-N 1 1 388.309 4.354 20 0 GIADMO CC(C)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000462306242 823919130 /nfs/dbraw/zinc/91/91/30/823919130.db2.gz QEMDIIGSEHNIRO-PXNSSMCTSA-N 1 1 392.590 4.233 20 0 GIADMO Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462307845 823919607 /nfs/dbraw/zinc/91/96/07/823919607.db2.gz YIKUPRAOLJZHKH-KDOFPFPSSA-N 1 1 398.981 4.071 20 0 GIADMO CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000575139390 823921089 /nfs/dbraw/zinc/92/10/89/823921089.db2.gz JUHWARCATPCSHQ-JOCHJYFZSA-N 1 1 395.547 4.035 20 0 GIADMO CC(C)[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccc(-c2ccccc2F)s1 ZINC000064988274 823922099 /nfs/dbraw/zinc/92/20/99/823922099.db2.gz LYGUMSNYTOMLLY-UHFFFAOYSA-N 1 1 388.430 4.443 20 0 GIADMO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCS1 ZINC000192266032 823922682 /nfs/dbraw/zinc/92/26/82/823922682.db2.gz YZYUBIPQISAYAO-QIIPPGSGSA-N 1 1 399.963 4.009 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc2cncn2c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414176193 823923165 /nfs/dbraw/zinc/92/31/65/823923165.db2.gz HFEGIVJVMIFYMG-OXQOHEQNSA-N 1 1 383.467 4.272 20 0 GIADMO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000575147482 823923527 /nfs/dbraw/zinc/92/35/27/823923527.db2.gz FTPCZSXPPDCJON-HNNXBMFYSA-N 1 1 381.501 4.423 20 0 GIADMO C[N@H+]1CCCN(C(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000462324743 823924664 /nfs/dbraw/zinc/92/46/64/823924664.db2.gz FVBOGTBLRUOGIH-QGZVFWFLSA-N 1 1 385.474 4.010 20 0 GIADMO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1)C(=O)NC(C)(C)C ZINC000414195566 823925990 /nfs/dbraw/zinc/92/59/90/823925990.db2.gz WUZSBLYJKCLRMJ-YJBOKZPZSA-N 1 1 381.545 4.473 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1O ZINC000414194550 823926073 /nfs/dbraw/zinc/92/60/73/823926073.db2.gz WIPOQHJGLLTSHH-AGLNEOCTSA-N 1 1 398.572 4.106 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1)c1ccn(C)n1 ZINC000414197500 823926486 /nfs/dbraw/zinc/92/64/86/823926486.db2.gz WOFJGARUJFQTIV-DLBZAZTESA-N 1 1 375.476 4.059 20 0 GIADMO C[C@H](Cc1ccccc1)n1cccc1-c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000575162920 823928335 /nfs/dbraw/zinc/92/83/35/823928335.db2.gz OXCCFRNKKHWIEB-HCLVMJGWSA-N 1 1 392.503 4.268 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC000414208399 823929264 /nfs/dbraw/zinc/92/92/64/823929264.db2.gz ITZYLASFEBHNQR-SFHVURJKSA-N 1 1 395.956 4.268 20 0 GIADMO O=C(CCc1cc(F)ccc1F)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000065044274 823929863 /nfs/dbraw/zinc/92/98/63/823929863.db2.gz BKDWUPWOQXMTRL-UHFFFAOYSA-N 1 1 379.476 4.369 20 0 GIADMO CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000170669751 823931811 /nfs/dbraw/zinc/93/18/11/823931811.db2.gz VPDFOBXRNOKOKA-UHFFFAOYSA-N 1 1 399.922 4.053 20 0 GIADMO CCCCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000170669751 823931818 /nfs/dbraw/zinc/93/18/18/823931818.db2.gz VPDFOBXRNOKOKA-UHFFFAOYSA-N 1 1 399.922 4.053 20 0 GIADMO COc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(Cl)c(OC)c1 ZINC000414223141 823932705 /nfs/dbraw/zinc/93/27/05/823932705.db2.gz PIZKYFUJAUWLQD-PBHICJAKSA-N 1 1 375.900 4.075 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126719095 823934567 /nfs/dbraw/zinc/93/45/67/823934567.db2.gz ZSWHRQJMAMCCBC-LSDHHAIUSA-N 1 1 376.907 4.038 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000170678390 823935306 /nfs/dbraw/zinc/93/53/06/823935306.db2.gz UJPFRZNLUQTMKN-QFIPXVFZSA-N 1 1 388.515 4.062 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C)c3cccc(Cl)c3)CC2)cs1 ZINC000170681892 823936735 /nfs/dbraw/zinc/93/67/35/823936735.db2.gz JBISDKGNEQCMGT-CYBMUJFWSA-N 1 1 377.941 4.194 20 0 GIADMO Cc1ccc(Br)c(C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)c1 ZINC000414247552 823940161 /nfs/dbraw/zinc/94/01/61/823940161.db2.gz CPWBUWUMMVCTIF-INIZCTEOSA-N 1 1 377.257 4.460 20 0 GIADMO C[C@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000170691233 823940590 /nfs/dbraw/zinc/94/05/90/823940590.db2.gz MAXOBEFTCVUJMH-LBPRGKRZSA-N 1 1 392.849 4.313 20 0 GIADMO CCC[C@@]1(CO)CC[N@@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000575213855 823940935 /nfs/dbraw/zinc/94/09/35/823940935.db2.gz NSIANTPDAIWVFZ-LADGPHEKSA-N 1 1 396.531 4.168 20 0 GIADMO CCC[C@@]1(CO)CC[N@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000575213855 823940949 /nfs/dbraw/zinc/94/09/49/823940949.db2.gz NSIANTPDAIWVFZ-LADGPHEKSA-N 1 1 396.531 4.168 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000575213500 823941013 /nfs/dbraw/zinc/94/10/13/823941013.db2.gz FJTOEAHSWYECEL-UGKGYDQZSA-N 1 1 381.520 4.106 20 0 GIADMO O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126750853 823941779 /nfs/dbraw/zinc/94/17/79/823941779.db2.gz UYEWESQOEYLNMU-BEFAXECRSA-N 1 1 385.895 4.084 20 0 GIADMO C[C@H](CNC(=O)c1cnc(-c2ccccc2Cl)s1)[N@H+]1CCC[C@H](C)C1 ZINC000065101326 823941999 /nfs/dbraw/zinc/94/19/99/823941999.db2.gz DMLGOIPBDNYSJC-UONOGXRCSA-N 1 1 377.941 4.314 20 0 GIADMO CCC[C@@H](NC(=O)c1ccccc1)c1noc([C@@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000575221874 823944915 /nfs/dbraw/zinc/94/49/15/823944915.db2.gz GHPBYCIQQBOURU-IIBYNOLFSA-N 1 1 388.487 4.010 20 0 GIADMO CCC[C@@H](NC(=O)c1ccccc1)c1noc([C@@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000575221874 823944918 /nfs/dbraw/zinc/94/49/18/823944918.db2.gz GHPBYCIQQBOURU-IIBYNOLFSA-N 1 1 388.487 4.010 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cc(N2CCCC2)[nH+]1 ZINC000575226556 823946333 /nfs/dbraw/zinc/94/63/33/823946333.db2.gz ZELQMPKSCSIWIV-AOMKIAJQSA-N 1 1 396.510 4.422 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000065140316 823949894 /nfs/dbraw/zinc/94/98/94/823949894.db2.gz USHKMMPGLZMJFO-QAPCUYQASA-N 1 1 392.421 4.036 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000065140951 823950492 /nfs/dbraw/zinc/95/04/92/823950492.db2.gz GXJCUVDKFGOITC-PZJWPPBQSA-N 1 1 387.527 4.346 20 0 GIADMO Cc1cc(C(=O)CCC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)s1 ZINC000065140674 823950738 /nfs/dbraw/zinc/95/07/38/823950738.db2.gz LCVDLVSOIKCPNV-LPHOPBHVSA-N 1 1 384.545 4.280 20 0 GIADMO COc1ccc2cc(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)c(C)nc2c1 ZINC000065140583 823951038 /nfs/dbraw/zinc/95/10/38/823951038.db2.gz KJCXXVOSPGJXBJ-XLIONFOSSA-N 1 1 389.499 4.117 20 0 GIADMO Clc1ccc2c(NCc3cccc(OCCN4CCOCC4)c3)cc[nH+]c2c1 ZINC000462383318 823952702 /nfs/dbraw/zinc/95/27/02/823952702.db2.gz FBEUHMVATSWZPL-UHFFFAOYSA-N 1 1 397.906 4.211 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NCc2ccc(S(C)(=O)=O)s2)c1 ZINC000414297220 823953546 /nfs/dbraw/zinc/95/35/46/823953546.db2.gz PFBJYRDFAPYICA-UHFFFAOYSA-N 1 1 389.546 4.132 20 0 GIADMO Cn1c(-c2ccncc2)nn(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c1=S ZINC000170727368 823956072 /nfs/dbraw/zinc/95/60/72/823956072.db2.gz BPXKOYAVLPXNLK-UHFFFAOYSA-N 1 1 383.496 4.169 20 0 GIADMO COc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c(Br)c1OC ZINC000192356227 823957844 /nfs/dbraw/zinc/95/78/44/823957844.db2.gz ZLLSIAOZFDSTRP-OAHLLOKOSA-N 1 1 392.293 4.339 20 0 GIADMO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H](C(=O)N[C@@H](C)CCC)C2)c1O ZINC000065188857 823958302 /nfs/dbraw/zinc/95/83/02/823958302.db2.gz GLRPMKPPYJRELA-HKUYNNGSSA-N 1 1 388.552 4.036 20 0 GIADMO Cn1ccc([C@@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)c2ccc(Cl)cc2)n1 ZINC000414340285 823961177 /nfs/dbraw/zinc/96/11/77/823961177.db2.gz GSKAVIRSOBURRI-RXVVDRJESA-N 1 1 384.886 4.171 20 0 GIADMO O=c1cc(C[NH+]2CCC(c3c(Cl)cccc3Cl)CC2)nc2ccccn12 ZINC000575359503 823961516 /nfs/dbraw/zinc/96/15/16/823961516.db2.gz LRDKAZNTJXHBLG-UHFFFAOYSA-N 1 1 388.298 4.381 20 0 GIADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000575371347 823964379 /nfs/dbraw/zinc/96/43/79/823964379.db2.gz HFTSBIHDVUAOIJ-MRXNPFEDSA-N 1 1 379.287 4.223 20 0 GIADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000575371347 823964384 /nfs/dbraw/zinc/96/43/84/823964384.db2.gz HFTSBIHDVUAOIJ-MRXNPFEDSA-N 1 1 379.287 4.223 20 0 GIADMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCc1ccc(S(C)(=O)=O)s1 ZINC000414360359 823965058 /nfs/dbraw/zinc/96/50/58/823965058.db2.gz NLTWTMPUAKKWFI-OAHLLOKOSA-N 1 1 378.563 4.451 20 0 GIADMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCc1ccc(S(C)(=O)=O)s1 ZINC000414360359 823965063 /nfs/dbraw/zinc/96/50/63/823965063.db2.gz NLTWTMPUAKKWFI-OAHLLOKOSA-N 1 1 378.563 4.451 20 0 GIADMO COC[C@@H]([NH2+]Cc1cn(-c2cccc(F)c2)nc1C)c1ccc(F)c(F)c1 ZINC000414362340 823965295 /nfs/dbraw/zinc/96/52/95/823965295.db2.gz DZPLLNZWQVKTTE-HXUWFJFHSA-N 1 1 375.394 4.075 20 0 GIADMO COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC000462417310 823967036 /nfs/dbraw/zinc/96/70/36/823967036.db2.gz VNDNYSDWWSBODJ-NZZOTNDHSA-N 1 1 399.922 4.088 20 0 GIADMO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126854458 823967367 /nfs/dbraw/zinc/96/73/67/823967367.db2.gz ONGRQEPYCVUPIG-AUSIDOKSSA-N 1 1 388.511 4.007 20 0 GIADMO CCOc1ccc([C@H]([NH2+]Cc2cnc(N(C)C)n2C)c2cccc(Cl)c2)cc1 ZINC000414371031 823967502 /nfs/dbraw/zinc/96/75/02/823967502.db2.gz XTGKJEVTCFYHOK-NRFANRHFSA-N 1 1 398.938 4.417 20 0 GIADMO Cc1cc(C(=O)NC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)c(C)o1 ZINC000170776126 823968207 /nfs/dbraw/zinc/96/82/07/823968207.db2.gz AICOBPTUALQRNJ-UHFFFAOYSA-N 1 1 397.450 4.085 20 0 GIADMO Fc1cccc(F)c1CN1CCC[C@@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126858759 823968178 /nfs/dbraw/zinc/96/81/78/823968178.db2.gz ZCEFRDFBGAMDCX-UTKZUKDTSA-N 1 1 382.458 4.032 20 0 GIADMO Cc1sc([C@@H](C)[NH2+]Cc2cnc(N(C)C)n2C)nc1-c1ccc(Cl)cc1 ZINC000414375995 823968815 /nfs/dbraw/zinc/96/88/15/823968815.db2.gz GPAHDBMBLQQAMU-GFCCVEGCSA-N 1 1 389.956 4.422 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)cc1OC ZINC000414396153 823971627 /nfs/dbraw/zinc/97/16/27/823971627.db2.gz RSSAFPNEOUCKSN-AWEZNQCLSA-N 1 1 387.430 4.327 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000575444341 823971794 /nfs/dbraw/zinc/97/17/94/823971794.db2.gz WVSVASWCGADKRN-WIEQDCTASA-N 1 1 395.528 4.370 20 0 GIADMO CCC[C@]1(CO)CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000575504783 823974256 /nfs/dbraw/zinc/97/42/56/823974256.db2.gz NXTCSCLVTAOCMW-SFHVURJKSA-N 1 1 379.298 4.089 20 0 GIADMO CCC[C@@]1(CO)CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000575504778 823974556 /nfs/dbraw/zinc/97/45/56/823974556.db2.gz NXTCSCLVTAOCMW-GOSISDBHSA-N 1 1 379.298 4.089 20 0 GIADMO CS(=O)(=O)c1ccc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)s1 ZINC000414414529 823976531 /nfs/dbraw/zinc/97/65/31/823976531.db2.gz TUKKZXHPIWKOHV-UHFFFAOYSA-N 1 1 381.538 4.278 20 0 GIADMO CS(=O)(=O)c1ccc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)s1 ZINC000414414529 823976537 /nfs/dbraw/zinc/97/65/37/823976537.db2.gz TUKKZXHPIWKOHV-UHFFFAOYSA-N 1 1 381.538 4.278 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000414416727 823977716 /nfs/dbraw/zinc/97/77/16/823977716.db2.gz WLNUCTNEZPUVFH-RKOGDMNLSA-N 1 1 385.508 4.250 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000414416727 823977728 /nfs/dbraw/zinc/97/77/28/823977728.db2.gz WLNUCTNEZPUVFH-RKOGDMNLSA-N 1 1 385.508 4.250 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H](CO)C2CCCC2)cs1)c1cccc(Cl)c1 ZINC000575623095 823979417 /nfs/dbraw/zinc/97/94/17/823979417.db2.gz YAWLGGNJOHTBET-GOSISDBHSA-N 1 1 393.940 4.122 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cc(C(F)(F)F)ccn2)cc1 ZINC000192422126 823984371 /nfs/dbraw/zinc/98/43/71/823984371.db2.gz JQKNWWJWAUJMIL-LBPRGKRZSA-N 1 1 389.381 4.477 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(C(F)(F)F)ccn1 ZINC000192423625 823985815 /nfs/dbraw/zinc/98/58/15/823985815.db2.gz KEFOQOMLORBJPX-CYBMUJFWSA-N 1 1 398.454 4.196 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccnc(Br)c2)c1 ZINC000126968418 823991459 /nfs/dbraw/zinc/99/14/59/823991459.db2.gz KAWMDKDZSARVED-UHFFFAOYSA-N 1 1 399.292 4.465 20 0 GIADMO C[S@@](=O)c1ccc(C[NH+]2CC(Cc3ccccc3)(c3ccccc3)C2)cc1 ZINC000414475336 823991496 /nfs/dbraw/zinc/99/14/96/823991496.db2.gz GQMYQIXRFCYLGR-HHHXNRCGSA-N 1 1 375.537 4.420 20 0 GIADMO CCn1ccc(C[NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)n1 ZINC000414476834 823992002 /nfs/dbraw/zinc/99/20/02/823992002.db2.gz BLMAFASJVQVOTI-AWEZNQCLSA-N 1 1 381.320 4.065 20 0 GIADMO c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000575790628 823997062 /nfs/dbraw/zinc/99/70/62/823997062.db2.gz PZPFTZLQCZTKMR-ZEQRLZLVSA-N 1 1 384.527 4.098 20 0 GIADMO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414511772 823998946 /nfs/dbraw/zinc/99/89/46/823998946.db2.gz XXTUPICWGIRDAP-VIFPVBQESA-N 1 1 380.197 4.359 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]CC(C)(C)OCC2CC2)cs1)c1ccc(F)cc1 ZINC000414518851 823999811 /nfs/dbraw/zinc/99/98/11/823999811.db2.gz WBFAMDXEPAHPIG-UHFFFAOYSA-N 1 1 391.512 4.262 20 0 GIADMO CC[C@@]1(C)CCN(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000575799268 824000076 /nfs/dbraw/zinc/00/00/76/824000076.db2.gz QBFUZASAWHBLFD-QHCPKHFHSA-N 1 1 396.535 4.138 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000414523400 824001201 /nfs/dbraw/zinc/00/12/01/824001201.db2.gz GQEZIIKFUNAGSK-HSZRJFAPSA-N 1 1 396.531 4.306 20 0 GIADMO CC(C)[N@H+]1CCCC[C@H]1CN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000575820125 824003048 /nfs/dbraw/zinc/00/30/48/824003048.db2.gz QKYVJNHSVWZWDA-OALUTQOASA-N 1 1 381.358 4.085 20 0 GIADMO CCOc1c(OC)cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1OC ZINC000414540667 824006012 /nfs/dbraw/zinc/00/60/12/824006012.db2.gz BZHBGGMUNCSUED-QHCPKHFHSA-N 1 1 397.515 4.456 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cnc2cccc(C)n12)C(C)C ZINC000414541354 824006334 /nfs/dbraw/zinc/00/63/34/824006334.db2.gz CNMZXNVLHOTNAD-LJQANCHMSA-N 1 1 399.560 4.015 20 0 GIADMO CNC(=O)NC1CC[NH+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000414541352 824006398 /nfs/dbraw/zinc/00/63/98/824006398.db2.gz IUKAOIDZQKBCEK-UHFFFAOYSA-N 1 1 399.347 4.010 20 0 GIADMO CC(C)[C@H]1[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC12CCOCC2 ZINC000414545613 824007534 /nfs/dbraw/zinc/00/75/34/824007534.db2.gz WZISXZDLFOGVLI-GOSISDBHSA-N 1 1 381.442 4.229 20 0 GIADMO C[C@@H](C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000414550014 824009067 /nfs/dbraw/zinc/00/90/67/824009067.db2.gz ISONTDGFYKUCOZ-AVRDEDQJSA-N 1 1 399.556 4.047 20 0 GIADMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000414560551 824012973 /nfs/dbraw/zinc/01/29/73/824012973.db2.gz QXMOUVSLQVAQIJ-IBGZPJMESA-N 1 1 398.551 4.218 20 0 GIADMO Fc1ccc(N2CC[C@@H]([NH2+]Cc3csc(COc4ccccc4)n3)C2)cc1 ZINC000414564053 824013598 /nfs/dbraw/zinc/01/35/98/824013598.db2.gz CDMSWXUSOOFFAD-QGZVFWFLSA-N 1 1 383.492 4.230 20 0 GIADMO Cc1nc2ccc(NC(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cc2o1 ZINC000575910057 824026910 /nfs/dbraw/zinc/02/69/10/824026910.db2.gz DWRZRKANIDKNCT-MOPGFXCFSA-N 1 1 390.487 4.122 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000170988401 824029122 /nfs/dbraw/zinc/02/91/22/824029122.db2.gz JSDISTMTKNPWPC-KSFYIVLOSA-N 1 1 384.495 4.161 20 0 GIADMO Cc1cc(CNC(=O)NC[C@H](c2ccccc2)C(C)C)cc(N2CCCC2)[nH+]1 ZINC000575916228 824029121 /nfs/dbraw/zinc/02/91/21/824029121.db2.gz WMJHUSSZZJIPKR-NRFANRHFSA-N 1 1 380.536 4.229 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000575938929 824033081 /nfs/dbraw/zinc/03/30/81/824033081.db2.gz IXWRBZGXBZSFPD-LJQANCHMSA-N 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ZINC000575967727 824040959 /nfs/dbraw/zinc/04/09/59/824040959.db2.gz PHPWYIBKYHRDIT-UHFFFAOYSA-N 1 1 392.219 4.415 20 0 GIADMO C[C@@H](NCc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414856219 824043024 /nfs/dbraw/zinc/04/30/24/824043024.db2.gz OCORLVSHNHTQDX-OCCSQVGLSA-N 1 1 380.355 4.050 20 0 GIADMO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000192606895 824044342 /nfs/dbraw/zinc/04/43/42/824044342.db2.gz ZPWLOFASRDTFFN-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000192606895 824044346 /nfs/dbraw/zinc/04/43/46/824044346.db2.gz ZPWLOFASRDTFFN-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000414906767 824048579 /nfs/dbraw/zinc/04/85/79/824048579.db2.gz AHJQLIHUDQBJBZ-IBGZPJMESA-N 1 1 388.302 4.324 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccccc1Cl ZINC000014628825 207025203 /nfs/dbraw/zinc/02/52/03/207025203.db2.gz FXIORZPEHGXHHU-INIZCTEOSA-N 1 1 381.701 4.135 20 0 GIADMO O=C1c2ccccc2[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164401307 718846632 /nfs/dbraw/zinc/84/66/32/718846632.db2.gz AQAZADSMNLTYEB-GOTSBHOMSA-N 1 1 395.506 4.056 20 0 GIADMO O=C1c2ccccc2[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@H]12 ZINC001164401307 718846633 /nfs/dbraw/zinc/84/66/33/718846633.db2.gz AQAZADSMNLTYEB-GOTSBHOMSA-N 1 1 395.506 4.056 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4C(=O)[C@@H]3C2)nc1 ZINC001164408756 718849167 /nfs/dbraw/zinc/84/91/67/718849167.db2.gz SVPCGAUOUMFQAX-BHDDXSALSA-N 1 1 375.516 4.435 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)nc1 ZINC001164400898 718859070 /nfs/dbraw/zinc/85/90/70/718859070.db2.gz AQTKMXMYIPXOGC-RZUBCFFCSA-N 1 1 390.531 4.191 20 0 GIADMO CC(C)(C)OC(=O)c1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164621041 719061576 /nfs/dbraw/zinc/06/15/76/719061576.db2.gz GMPBNJILWTWMKT-LEWJYISDSA-N 1 1 393.531 4.138 20 0 GIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4nccc(Oc5ccccc5)n4)[C@@H]3C2)cc1 ZINC001164619956 719067097 /nfs/dbraw/zinc/06/70/97/719067097.db2.gz DKJFKVXXPQUQMX-IFMALSPDSA-N 1 1 386.499 4.370 20 0 GIADMO Cc1nc2cc(F)ccc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164624350 719068443 /nfs/dbraw/zinc/06/84/43/719068443.db2.gz LJTRQUSBMJCDFM-AVRDEDQJSA-N 1 1 376.479 4.178 20 0 GIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4ncnc5[nH]c6ccccc6c54)[C@H]3C2)cc1 ZINC001164629861 719082445 /nfs/dbraw/zinc/08/24/45/719082445.db2.gz ZOYGTCRZHYAYAA-NQIIRXRSSA-N 1 1 383.499 4.212 20 0 GIADMO CC(C)n1ccc2c1ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164625002 719093451 /nfs/dbraw/zinc/09/34/51/719093451.db2.gz FXFGIWDPBGQXRF-TZIWHRDSSA-N 1 1 375.520 4.113 20 0 GIADMO Fc1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1-c1ccsc1 ZINC001164622765 719111254 /nfs/dbraw/zinc/11/12/54/719111254.db2.gz CKZZHRLEVIKZHR-PXNSSMCTSA-N 1 1 394.519 4.445 20 0 GIADMO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000508374628 719245463 /nfs/dbraw/zinc/24/54/63/719245463.db2.gz FHRIQHQHHMGCGT-GJZGRUSLSA-N 1 1 382.533 4.034 20 0 GIADMO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000508374627 719246008 /nfs/dbraw/zinc/24/60/08/719246008.db2.gz FHRIQHQHHMGCGT-CABCVRRESA-N 1 1 382.533 4.034 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164631765 719257535 /nfs/dbraw/zinc/25/75/35/719257535.db2.gz FUMWWQHNXUNZOD-NWDGAFQWSA-N 1 1 384.833 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164631765 719257539 /nfs/dbraw/zinc/25/75/39/719257539.db2.gz FUMWWQHNXUNZOD-NWDGAFQWSA-N 1 1 384.833 4.010 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164646228 719309036 /nfs/dbraw/zinc/30/90/36/719309036.db2.gz CKQBQHCOAYPGOZ-UHFFFAOYSA-N 1 1 375.520 4.150 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4ncc(F)cc4n2)CC3)cs1 ZINC001164691270 719812612 /nfs/dbraw/zinc/81/26/12/719812612.db2.gz CLJLAOYDGZECLN-UHFFFAOYSA-N 1 1 397.523 4.169 20 0 GIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)cc(C(C)C)n2)CC3)cs1 ZINC001164697867 719816669 /nfs/dbraw/zinc/81/66/69/719816669.db2.gz BJQMRYXJMBKVID-UHFFFAOYSA-N 1 1 385.581 4.308 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3cc(Cl)ccc31)C2 ZINC001164807881 720098221 /nfs/dbraw/zinc/09/82/21/720098221.db2.gz GIALZRRLUQTZMS-PGRDOPGGSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164805880 720099418 /nfs/dbraw/zinc/09/94/18/720099418.db2.gz AIKSNUJEJUNNDE-YWZLYKJASA-N 1 1 391.968 4.134 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(Cl)cc3n1)C2 ZINC001164815876 720140856 /nfs/dbraw/zinc/14/08/56/720140856.db2.gz WRMRUKJHIYYAGM-WZONZLPQSA-N 1 1 399.966 4.381 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cc(C)ccc31)C2 ZINC001164813189 720147827 /nfs/dbraw/zinc/14/78/27/720147827.db2.gz PSVFCMKZFSHJBB-WMZHIEFXSA-N 1 1 399.966 4.381 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C3CCCCC3)nc(C)n1)C2 ZINC001164818089 720156376 /nfs/dbraw/zinc/15/63/76/720156376.db2.gz RTYLRMUSIIIWRT-QPPBQGQZSA-N 1 1 398.595 4.017 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(C)c(C)c3n1)C2 ZINC001164815071 720174399 /nfs/dbraw/zinc/17/43/99/720174399.db2.gz HVLJEFAIKHCHKQ-PXDATVDWSA-N 1 1 393.575 4.345 20 0 GIADMO COc1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c2cc(Cl)ccc12 ZINC001164731297 720385805 /nfs/dbraw/zinc/38/58/05/720385805.db2.gz ZAMZPEOJQOIKMT-WOJBJXKFSA-N 1 1 394.906 4.145 20 0 GIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729046 720472624 /nfs/dbraw/zinc/47/26/24/720472624.db2.gz QXCWLACJXVEWAE-BMGDILEWSA-N 1 1 385.943 4.200 20 0 GIADMO Cc1cccc2c1ccnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838523 720548487 /nfs/dbraw/zinc/54/84/87/720548487.db2.gz OGXWREKRIWFRHZ-TXTKFYIRSA-N 1 1 389.547 4.118 20 0 GIADMO CSc1cccnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 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Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ncc2c1 ZINC001165024161 721813975 /nfs/dbraw/zinc/81/39/75/721813975.db2.gz JKIXMDBOTYVIIS-AVCGJXAMSA-N 1 1 387.531 4.070 20 0 GIADMO Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165025876 721814636 /nfs/dbraw/zinc/81/46/36/721814636.db2.gz OAXYBNSCGRTNEO-SXLOBPIMSA-N 1 1 384.955 4.484 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)ncn3)C[C@@H]21 ZINC001165029655 721822945 /nfs/dbraw/zinc/82/29/45/721822945.db2.gz XJFRDSFWDMZWTQ-ODGPQVTHSA-N 1 1 399.542 4.276 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)cc(C(C)C)n4)CC3)C2)cc1 ZINC001164940762 721933428 /nfs/dbraw/zinc/93/34/28/721933428.db2.gz DPDCBLGEHAQMBE-UHFFFAOYSA-N 1 1 394.563 4.088 20 0 GIADMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]12 ZINC001164945473 721968429 /nfs/dbraw/zinc/96/84/29/721968429.db2.gz LAPIUMLGOQKTIF-REWPJTCUSA-N 1 1 397.950 4.235 20 0 GIADMO c1ccc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)cc1 ZINC001164953306 722013912 /nfs/dbraw/zinc/01/39/12/722013912.db2.gz DUHLNADVMPSCMS-UHFFFAOYSA-N 1 1 385.515 4.031 20 0 GIADMO Fc1ccc2cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ncc2c1 ZINC001164955438 722022981 /nfs/dbraw/zinc/02/29/81/722022981.db2.gz GUPRSDRPUJAAJM-UHFFFAOYSA-N 1 1 376.479 4.261 20 0 GIADMO Cc1cc2c(ncnc2N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)s1 ZINC001164993210 722191406 /nfs/dbraw/zinc/19/14/06/722191406.db2.gz CKZSJNPDIPYTDH-OAQYLSRUSA-N 1 1 382.508 4.384 20 0 GIADMO COc1cc(Cl)cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995709 722199078 /nfs/dbraw/zinc/19/90/78/722199078.db2.gz XAUMLRXGFUCZCM-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO COc1ccc2ncc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164995348 722200584 /nfs/dbraw/zinc/20/05/84/722200584.db2.gz MHCIAURCQRNROO-QHCPKHFHSA-N 1 1 392.478 4.022 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)cc(C4CC4)n2)C3)c1 ZINC001164995677 722201191 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GIADMO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000175807733 823044925 /nfs/dbraw/zinc/04/49/25/823044925.db2.gz JMKYKPPXKCNSLO-UHFFFAOYSA-N 1 1 393.597 4.460 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)s2)cc1 ZINC000458476319 823045221 /nfs/dbraw/zinc/04/52/21/823045221.db2.gz AMKZNOMFZNZXNO-QFIPXVFZSA-N 1 1 399.560 4.051 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187344934 823046579 /nfs/dbraw/zinc/04/65/79/823046579.db2.gz VNDPQJSTAAXKOV-CVDCTZTESA-N 1 1 399.579 4.162 20 0 GIADMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000570504620 823047363 /nfs/dbraw/zinc/04/73/63/823047363.db2.gz LZSOLGSMANNCFF-UHFFFAOYSA-N 1 1 378.501 4.158 20 0 GIADMO c1ncn(-c2ccc(C[N@@H+](Cc3cccc(-c4ccncc4)c3)C3CC3)cc2)n1 ZINC000570521765 823049105 /nfs/dbraw/zinc/04/91/05/823049105.db2.gz JIQGZJJGOULEKC-UHFFFAOYSA-N 1 1 381.483 4.494 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1nc(CCc2ccccc2)no1)c1cccs1 ZINC000175827344 823049152 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Cc1nccnc1[C@H](C)[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000187953576 823163365 /nfs/dbraw/zinc/16/33/65/823163365.db2.gz FKEPFAFKTQGQFF-OXJNMPFZSA-N 1 1 375.451 4.366 20 0 GIADMO OCCC[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1ccccc1 ZINC000459335047 823163715 /nfs/dbraw/zinc/16/37/15/823163715.db2.gz HANRIKVSEKXLGH-UHFFFAOYSA-N 1 1 390.531 4.445 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000056533424 823164062 /nfs/dbraw/zinc/16/40/62/823164062.db2.gz WAOBTQKCFQJQOG-UHFFFAOYSA-N 1 1 376.247 4.204 20 0 GIADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCCOC4)c3)sc2C1 ZINC000571315467 823164195 /nfs/dbraw/zinc/16/41/95/823164195.db2.gz DRDBGJJYNIQPEB-QGZVFWFLSA-N 1 1 399.560 4.446 20 0 GIADMO COc1cccc(NC2CC[NH+](Cc3cccc(O)c3Br)CC2)c1 ZINC000459340973 823165171 /nfs/dbraw/zinc/16/51/71/823165171.db2.gz FSHQKCYORUDAMQ-UHFFFAOYSA-N 1 1 391.309 4.240 20 0 GIADMO C[C@H]1CN(c2ccccc2C[N@H+](Cc2ccccc2)CC2CCOCC2)CCO1 ZINC000459342019 823165426 /nfs/dbraw/zinc/16/54/26/823165426.db2.gz GRZOSJQGWCXZDU-NRFANRHFSA-N 1 1 394.559 4.341 20 0 GIADMO CCOc1cc(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc(Cl)c1O ZINC000459344245 823166561 /nfs/dbraw/zinc/16/65/61/823166561.db2.gz BFKJIUKKBPXBSA-OAHLLOKOSA-N 1 1 390.911 4.450 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000459361671 823171907 /nfs/dbraw/zinc/17/19/07/823171907.db2.gz PNIZDPQSRIDTBC-SIKLNZKXSA-N 1 1 378.516 4.161 20 0 GIADMO CCn1c(C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)nc2ccccc21 ZINC000571365546 823171914 /nfs/dbraw/zinc/17/19/14/823171914.db2.gz OQZGWSHYMAZXQP-OAHLLOKOSA-N 1 1 390.409 4.123 20 0 GIADMO CCn1c(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)nc2ccccc21 ZINC000571365546 823171916 /nfs/dbraw/zinc/17/19/16/823171916.db2.gz OQZGWSHYMAZXQP-OAHLLOKOSA-N 1 1 390.409 4.123 20 0 GIADMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)cc2cccnc12 ZINC000571364670 823171955 /nfs/dbraw/zinc/17/19/55/823171955.db2.gz CRCVTAPEQZJGAQ-NTKDMRAZSA-N 1 1 376.500 4.085 20 0 GIADMO O=C1C[C@H]([C@H]2CCCC[N@H+]2C/C=C\c2ccc(OCc3ccccc3)cc2)CN1 ZINC000459360472 823171526 /nfs/dbraw/zinc/17/15/26/823171526.db2.gz OHXFXJFONIWUBL-KNHPQIFXSA-N 1 1 390.527 4.269 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1C ZINC000056588956 823175553 /nfs/dbraw/zinc/17/55/53/823175553.db2.gz DGFPRSCNSPPJNY-UHFFFAOYSA-N 1 1 386.540 4.073 20 0 GIADMO c1c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459376066 823176580 /nfs/dbraw/zinc/17/65/80/823176580.db2.gz NMSOQLMYSZZXCZ-QHCPKHFHSA-N 1 1 380.536 4.453 20 0 GIADMO COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000571408973 823178803 /nfs/dbraw/zinc/17/88/03/823178803.db2.gz DVCQKHZWJQTJFC-UZLBHIALSA-N 1 1 389.499 4.307 20 0 GIADMO COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000571408971 823178855 /nfs/dbraw/zinc/17/88/55/823178855.db2.gz DVCQKHZWJQTJFC-OXJNMPFZSA-N 1 1 389.499 4.307 20 0 GIADMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC000176310274 823179030 /nfs/dbraw/zinc/17/90/30/823179030.db2.gz FEGRWFHRYXMOGX-KRWDZBQOSA-N 1 1 387.549 4.032 20 0 GIADMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC000176310274 823179034 /nfs/dbraw/zinc/17/90/34/823179034.db2.gz FEGRWFHRYXMOGX-KRWDZBQOSA-N 1 1 387.549 4.032 20 0 GIADMO [O-]c1cccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1Br ZINC000459384488 823179238 /nfs/dbraw/zinc/17/92/38/823179238.db2.gz CYYWJZWHPNPKPE-UHFFFAOYSA-N 1 1 395.366 4.218 20 0 GIADMO C[C@@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@@H+]1CCCC[C@@H]1C ZINC000459384221 823179319 /nfs/dbraw/zinc/17/93/19/823179319.db2.gz YVJBENAPPVHVSA-OALUTQOASA-N 1 1 381.568 4.413 20 0 GIADMO C[C@@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@H+]1CCCC[C@@H]1C ZINC000459384221 823179322 /nfs/dbraw/zinc/17/93/22/823179322.db2.gz YVJBENAPPVHVSA-OALUTQOASA-N 1 1 381.568 4.413 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(O)c1Br)c1ccc(NC(=O)C2CC2)cc1 ZINC000459386621 823179867 /nfs/dbraw/zinc/17/98/67/823179867.db2.gz JMVXELXHUMZDDU-LBPRGKRZSA-N 1 1 389.293 4.354 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1N1CCCC1 ZINC000056611638 823180935 /nfs/dbraw/zinc/18/09/35/823180935.db2.gz CEGXJJKAWDAZPB-UHFFFAOYSA-N 1 1 394.563 4.126 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](c3cccnc3)C2)cc1 ZINC000571436146 823182244 /nfs/dbraw/zinc/18/22/44/823182244.db2.gz QZUDIXUWXYDGNF-AUSIDOKSSA-N 1 1 392.547 4.155 20 0 GIADMO Clc1ccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571451487 823184511 /nfs/dbraw/zinc/18/45/11/823184511.db2.gz NNUZJTDACDLMRT-NRFANRHFSA-N 1 1 381.863 4.360 20 0 GIADMO Clc1ccc(-c2noc(C[N@H+]3CC[C@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571451487 823184513 /nfs/dbraw/zinc/18/45/13/823184513.db2.gz NNUZJTDACDLMRT-NRFANRHFSA-N 1 1 381.863 4.360 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3c(F)cccc3Cl)c2)C[C@H](C)O1 ZINC000121440326 823184913 /nfs/dbraw/zinc/18/49/13/823184913.db2.gz GHBCORADKCBWKJ-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3c(F)cccc3Cl)c2)C[C@H](C)O1 ZINC000121440326 823184917 /nfs/dbraw/zinc/18/49/17/823184917.db2.gz GHBCORADKCBWKJ-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO CCN(C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1cccc(OC)c1 ZINC000459413804 823187262 /nfs/dbraw/zinc/18/72/62/823187262.db2.gz RIJRUXUQSPJTDI-QGZVFWFLSA-N 1 1 383.492 4.147 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)ccc1OC(F)F ZINC000571468722 823187477 /nfs/dbraw/zinc/18/74/77/823187477.db2.gz CBYATCJUHDEQAE-UHFFFAOYSA-N 1 1 387.430 4.423 20 0 GIADMO C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000176352174 823189696 /nfs/dbraw/zinc/18/96/96/823189696.db2.gz FEWIEDZCESIVOA-GBESFXJTSA-N 1 1 381.520 4.394 20 0 GIADMO Cc1ccc(-c2nc(C[NH2+]Cc3ccccc3N3CCO[C@@H](C)C3)co2)cc1 ZINC000459426263 823190127 /nfs/dbraw/zinc/19/01/27/823190127.db2.gz NPCBCHOWDHJCLE-SFHVURJKSA-N 1 1 377.488 4.165 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3(c4ccccc4F)CC3)c2)C[C@H](C)O1 ZINC000121501959 823195651 /nfs/dbraw/zinc/19/56/51/823195651.db2.gz PFRIOXJPJSCZNZ-CALCHBBNSA-N 1 1 382.479 4.105 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3(c4ccccc4F)CC3)c2)C[C@H](C)O1 ZINC000121501959 823195654 /nfs/dbraw/zinc/19/56/54/823195654.db2.gz PFRIOXJPJSCZNZ-CALCHBBNSA-N 1 1 382.479 4.105 20 0 GIADMO CCOc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1F ZINC000571496282 823192331 /nfs/dbraw/zinc/19/23/31/823192331.db2.gz YEAGLEMKPVWKDO-QGZVFWFLSA-N 1 1 382.439 4.049 20 0 GIADMO C[N@H+]1CCC[C@@H](CNCc2cccc(O)c2Br)[C@H]1c1cccs1 ZINC000459441452 823192749 /nfs/dbraw/zinc/19/27/49/823192749.db2.gz VZSLTQWYRVNUCI-KSSFIOAISA-N 1 1 395.366 4.389 20 0 GIADMO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571504800 823193274 /nfs/dbraw/zinc/19/32/74/823193274.db2.gz VMNCYOODMIRYDF-AUSIDOKSSA-N 1 1 392.543 4.410 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000121488872 823193661 /nfs/dbraw/zinc/19/36/61/823193661.db2.gz XUQHUHAFXNUPOP-HSZRJFAPSA-N 1 1 389.499 4.253 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000571532061 823196743 /nfs/dbraw/zinc/19/67/43/823196743.db2.gz PLWTUIMUDOUXPB-QUCCMNQESA-N 1 1 387.483 4.439 20 0 GIADMO COC[C@@H]([NH2+]Cc1c(C)nc2scc(C3CC3)n12)c1ccc(F)c(F)c1 ZINC000459461881 823197276 /nfs/dbraw/zinc/19/72/76/823197276.db2.gz KPORKJMGOVNLIB-MRXNPFEDSA-N 1 1 377.460 4.337 20 0 GIADMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121510325 823197549 /nfs/dbraw/zinc/19/75/49/823197549.db2.gz LQVPOCCOJJEJBV-AWEZNQCLSA-N 1 1 383.517 4.446 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1)CC(F)(F)F ZINC000176393677 823197829 /nfs/dbraw/zinc/19/78/29/823197829.db2.gz ZEGXJOFLSRKWEW-CQSZACIVSA-N 1 1 385.405 4.187 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cccc4ncccc43)c2)C[C@@H](C)O1 ZINC000121516044 823198631 /nfs/dbraw/zinc/19/86/31/823198631.db2.gz GWSCKUIQJZGGAT-IAGOWNOFSA-N 1 1 375.472 4.096 20 0 GIADMO CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(=O)[nH]1 ZINC000121534677 823201251 /nfs/dbraw/zinc/20/12/51/823201251.db2.gz ADVRDLCQKITDOY-YLJYHZDGSA-N 1 1 381.520 4.036 20 0 GIADMO COc1cc(OC)cc([C@H]([NH2+]C2CC(C)(c3ccccc3)C2)c2nccn2C)c1 ZINC000459470089 823199196 /nfs/dbraw/zinc/19/91/96/823199196.db2.gz SZWVDCMALPJRTR-GJFCNDCISA-N 1 1 391.515 4.237 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+]Cc2nc(-c3ccccc3)no2)[C@H]1Sc1ccccc1 ZINC000459476207 823200430 /nfs/dbraw/zinc/20/04/30/823200430.db2.gz HAQWLBOPCMXOMG-NLWGTHIKSA-N 1 1 381.501 4.165 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c2ncc[nH]2)cc1 ZINC000188186733 823200429 /nfs/dbraw/zinc/20/04/29/823200429.db2.gz UHXKAUAZSQICBJ-SFHVURJKSA-N 1 1 397.841 4.174 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1)CC(F)(F)F ZINC000176403340 823200705 /nfs/dbraw/zinc/20/07/05/823200705.db2.gz TYYLYCLQITZNSZ-LJQANCHMSA-N 1 1 394.485 4.195 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000571603374 823206360 /nfs/dbraw/zinc/20/63/60/823206360.db2.gz LLPPGIXPWIAAJT-OAHLLOKOSA-N 1 1 388.537 4.242 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1)CC(F)(F)F ZINC000176407735 823201750 /nfs/dbraw/zinc/20/17/50/823201750.db2.gz MYJFWSYUSQSRIV-KRWDZBQOSA-N 1 1 399.501 4.263 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCc2ncc(C(C)(C)C)o2)C[C@H](C)O1 ZINC000188211813 823203932 /nfs/dbraw/zinc/20/39/32/823203932.db2.gz SHVYCVHOQWRWOB-IRXDYDNUSA-N 1 1 399.535 4.153 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+](CC3CCCCC3)C3CC3)nc2c1 ZINC000121553002 823204517 /nfs/dbraw/zinc/20/45/17/823204517.db2.gz ZVOIOBCPHCHYHC-UHFFFAOYSA-N 1 1 376.522 4.166 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+](CC3CCCCC3)C3CC3)nc2c1 ZINC000121553002 823204522 /nfs/dbraw/zinc/20/45/22/823204522.db2.gz ZVOIOBCPHCHYHC-UHFFFAOYSA-N 1 1 376.522 4.166 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000056752630 823206919 /nfs/dbraw/zinc/20/69/19/823206919.db2.gz YPPWXDRCWQLBHM-HSZRJFAPSA-N 1 1 393.531 4.239 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@H]1c1ccccc1 ZINC000571607771 823207551 /nfs/dbraw/zinc/20/75/51/823207551.db2.gz UQZYEQDSHMORDT-NVXWUHKLSA-N 1 1 384.348 4.159 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000176444700 823209185 /nfs/dbraw/zinc/20/91/85/823209185.db2.gz XUZAQVUTXGHUTG-UHOSZYNNSA-N 1 1 398.576 4.448 20 0 GIADMO Cc1ncc(CN2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2c2ccccc2)s1 ZINC000459521477 823210284 /nfs/dbraw/zinc/21/02/84/823210284.db2.gz UDPIYTDOPOVUDX-HXUWFJFHSA-N 1 1 384.574 4.276 20 0 GIADMO Cc1ncc(CN2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2c2ccccc2)s1 ZINC000459521477 823210291 /nfs/dbraw/zinc/21/02/91/823210291.db2.gz UDPIYTDOPOVUDX-HXUWFJFHSA-N 1 1 384.574 4.276 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(C)(C)c1ccc(Br)cc1 ZINC000461266833 823608969 /nfs/dbraw/zinc/60/89/69/823608969.db2.gz XOTYSURGDWZAQQ-KRWDZBQOSA-N 1 1 381.358 4.060 20 0 GIADMO CCOc1cc(CNc2cccc(C)[nH+]2)ccc1OCC(=O)Nc1ccccc1 ZINC000121588670 823211719 /nfs/dbraw/zinc/21/17/19/823211719.db2.gz JMGIBOJRIRFDQR-UHFFFAOYSA-N 1 1 391.471 4.418 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000459526777 823211862 /nfs/dbraw/zinc/21/18/62/823211862.db2.gz VXOYQKIPUVHCJV-UHFFFAOYSA-N 1 1 382.533 4.328 20 0 GIADMO CCc1ccc(C(C)(C)C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000176462985 823213056 /nfs/dbraw/zinc/21/30/56/823213056.db2.gz PKPWUJJHGLJGRC-UHFFFAOYSA-N 1 1 397.563 4.160 20 0 GIADMO CCn1c(C[NH+]2CCC3(CC2)OCCc2ccccc23)nc2c1cccc2F ZINC000459533490 823213544 /nfs/dbraw/zinc/21/35/44/823213544.db2.gz VVYPBBUIJHRICM-UHFFFAOYSA-N 1 1 379.479 4.259 20 0 GIADMO COc1ccc([C@H](NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C(C)C)cc1 ZINC000056812167 823218099 /nfs/dbraw/zinc/21/80/99/823218099.db2.gz NWBDGBCZAKMUPK-OAQYLSRUSA-N 1 1 375.557 4.154 20 0 GIADMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc(-n2cccc2)cc1 ZINC000571666476 823216485 /nfs/dbraw/zinc/21/64/85/823216485.db2.gz FMMTWMVBMXAKHU-QFIPXVFZSA-N 1 1 385.467 4.331 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[N@H+]1C1CC1 ZINC000188301107 823216528 /nfs/dbraw/zinc/21/65/28/823216528.db2.gz FCRFJYSDNFDCOK-OLZOCXBDSA-N 1 1 394.393 4.200 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C[N@H+]1C1CC1 ZINC000188301153 823216556 /nfs/dbraw/zinc/21/65/56/823216556.db2.gz FCRFJYSDNFDCOK-CHWSQXEVSA-N 1 1 394.393 4.200 20 0 GIADMO Cc1cc(N2CCC[C@H](OC(=O)c3ccc4ccc(Cl)cc4n3)C2)nc(C)[nH+]1 ZINC000176482953 823218301 /nfs/dbraw/zinc/21/83/01/823218301.db2.gz UWXKIJAEBRTTRN-KRWDZBQOSA-N 1 1 396.878 4.121 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc(Cl)c1O ZINC000459544785 823216722 /nfs/dbraw/zinc/21/67/22/823216722.db2.gz KENNVGSRGSPTHS-HBFSDRIKSA-N 1 1 387.907 4.449 20 0 GIADMO Cc1cnc([C@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000176492774 823220155 /nfs/dbraw/zinc/22/01/55/823220155.db2.gz GADRUWLCXDDNLN-UXDRXVOSSA-N 1 1 384.549 4.007 20 0 GIADMO CCO[C@@H]1C[C@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)[C@H]1Sc1ccccc1 ZINC000459561239 823220572 /nfs/dbraw/zinc/22/05/72/823220572.db2.gz RHPDMYHWCKFLRD-CWKRKGSWSA-N 1 1 398.572 4.003 20 0 GIADMO Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000571704790 823222066 /nfs/dbraw/zinc/22/20/66/823222066.db2.gz DHESORNLXJQBMC-SFHVURJKSA-N 1 1 396.441 4.361 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2csc(Br)c2)cc1F ZINC000409453717 823222190 /nfs/dbraw/zinc/22/21/90/823222190.db2.gz ABKXMVRNKOGZIP-UHFFFAOYSA-N 1 1 394.269 4.074 20 0 GIADMO COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000121650953 823222787 /nfs/dbraw/zinc/22/27/87/823222787.db2.gz JSWSCTWYEGLCJZ-GJZGRUSLSA-N 1 1 396.466 4.450 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459552494 823218934 /nfs/dbraw/zinc/21/89/34/823218934.db2.gz ULBGLJDUDZFNEL-VGOFRKELSA-N 1 1 382.552 4.369 20 0 GIADMO CC(C)[N@H+]1CCc2nc(CN3CC(Cc4ccccc4Cl)C3)sc2C1 ZINC000459554752 823219243 /nfs/dbraw/zinc/21/92/43/823219243.db2.gz ASZLGTOTQHCLJD-UHFFFAOYSA-N 1 1 375.969 4.238 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000121651283 823222923 /nfs/dbraw/zinc/22/29/23/823222923.db2.gz JSWSCTWYEGLCJZ-LSDHHAIUSA-N 1 1 396.466 4.450 20 0 GIADMO O=C(N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1(C(F)F)CCCC1 ZINC000571718981 823224023 /nfs/dbraw/zinc/22/40/23/823224023.db2.gz NDRIELYHVNDOEJ-OALUTQOASA-N 1 1 376.491 4.325 20 0 GIADMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc(Br)c1O ZINC000459585657 823225417 /nfs/dbraw/zinc/22/54/17/823225417.db2.gz VDMXHMVHVIRPHL-OIISXLGYSA-N 1 1 398.341 4.069 20 0 GIADMO c1c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459589747 823226408 /nfs/dbraw/zinc/22/64/08/823226408.db2.gz MPPAVXPEVKCRAZ-HSZRJFAPSA-N 1 1 392.547 4.451 20 0 GIADMO C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H](O)Cc1ccccc1 ZINC000459594329 823226889 /nfs/dbraw/zinc/22/68/89/823226889.db2.gz RTBBWIPETJSSQX-QFIPXVFZSA-N 1 1 390.531 4.096 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc4ccncc4s3)c2)C[C@H](C)O1 ZINC000571731876 823226999 /nfs/dbraw/zinc/22/69/99/823226999.db2.gz BHDAEOASQCJSDG-GJZGRUSLSA-N 1 1 381.501 4.158 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)cc1 ZINC000176517676 823227203 /nfs/dbraw/zinc/22/72/03/823227203.db2.gz XMKMTSNZQDNGBC-QAPCUYQASA-N 1 1 387.549 4.048 20 0 GIADMO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(Br)c2)c(OC)c1 ZINC000061778964 823613511 /nfs/dbraw/zinc/61/35/11/823613511.db2.gz RSIFAJRMLAACJN-UHFFFAOYSA-N 1 1 380.282 4.107 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(Br)c2)c(OC)c1 ZINC000061778964 823613515 /nfs/dbraw/zinc/61/35/15/823613515.db2.gz RSIFAJRMLAACJN-UHFFFAOYSA-N 1 1 380.282 4.107 20 0 GIADMO COc1cc(C)ccc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056914820 823231609 /nfs/dbraw/zinc/23/16/09/823231609.db2.gz KLZVPMMXZUFMFX-UHFFFAOYSA-N 1 1 389.446 4.068 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(OC[C@H]4CCCCO4)CC3)o2)cc1C ZINC000121697455 823232592 /nfs/dbraw/zinc/23/25/92/823232592.db2.gz JFURXCNZOFEHHT-GHTZIAJQSA-N 1 1 399.535 4.465 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)c1nc2c(s1)CCC2 ZINC000459633064 823233280 /nfs/dbraw/zinc/23/32/80/823233280.db2.gz KFVZRKICWPUHRI-WDEREUQCSA-N 1 1 394.338 4.072 20 0 GIADMO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1SC ZINC000459646364 823237360 /nfs/dbraw/zinc/23/73/60/823237360.db2.gz BOSSVZAATUZQHF-GOSISDBHSA-N 1 1 399.560 4.103 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000459633790 823233746 /nfs/dbraw/zinc/23/37/46/823233746.db2.gz LWRWNNREQWRMHI-NWDGAFQWSA-N 1 1 395.931 4.122 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1 ZINC000459636063 823234838 /nfs/dbraw/zinc/23/48/38/823234838.db2.gz PIPWUMHZKUYJJV-HNAYVOBHSA-N 1 1 399.560 4.045 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409511111 823237641 /nfs/dbraw/zinc/23/76/41/823237641.db2.gz VDSIJYVBZYLPQC-HKUYNNGSSA-N 1 1 390.531 4.083 20 0 GIADMO COc1ccc(-n2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)n2)cc1 ZINC000121724860 823237708 /nfs/dbraw/zinc/23/77/08/823237708.db2.gz GXPAKVPHOZSOLI-NRFANRHFSA-N 1 1 375.472 4.417 20 0 GIADMO COc1cc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000571805420 823236813 /nfs/dbraw/zinc/23/68/13/823236813.db2.gz BYZKGMKHTGTYIV-OAQYLSRUSA-N 1 1 395.421 4.418 20 0 GIADMO COc1cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000571805420 823236815 /nfs/dbraw/zinc/23/68/15/823236815.db2.gz BYZKGMKHTGTYIV-OAQYLSRUSA-N 1 1 395.421 4.418 20 0 GIADMO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccc(SC)c(OC)c3)n2)cc1 ZINC000121726908 823238023 /nfs/dbraw/zinc/23/80/23/823238023.db2.gz LBONBRNOCPRGEN-OAHLLOKOSA-N 1 1 383.517 4.462 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC12CCOCC2 ZINC000459648996 823238510 /nfs/dbraw/zinc/23/85/10/823238510.db2.gz LJFNUHCAEKXOMH-OAHLLOKOSA-N 1 1 385.455 4.319 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000176573641 823239910 /nfs/dbraw/zinc/23/99/10/823239910.db2.gz JMFCYGFBJRCIBH-WTOYTKOKSA-N 1 1 378.520 4.078 20 0 GIADMO C[C@@H]1CCc2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)sc2C1 ZINC000459652880 823239951 /nfs/dbraw/zinc/23/99/51/823239951.db2.gz RALFJKBTLOHVLO-CZUORRHYSA-N 1 1 388.499 4.449 20 0 GIADMO C[C@@H]1CCc2nc(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)sc2C1 ZINC000459652880 823239958 /nfs/dbraw/zinc/23/99/58/823239958.db2.gz RALFJKBTLOHVLO-CZUORRHYSA-N 1 1 388.499 4.449 20 0 GIADMO CCOc1cc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc(Br)c1O ZINC000459653696 823240413 /nfs/dbraw/zinc/24/04/13/823240413.db2.gz SLFWSWSZRACIFL-JTQLQIEISA-N 1 1 397.338 4.349 20 0 GIADMO Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459655277 823240990 /nfs/dbraw/zinc/24/09/90/823240990.db2.gz UTILSHWFFUKMDD-QGZVFWFLSA-N 1 1 397.416 4.397 20 0 GIADMO CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459656759 823241859 /nfs/dbraw/zinc/24/18/59/823241859.db2.gz HUZPQOGSURSYNJ-HNNXBMFYSA-N 1 1 379.463 4.037 20 0 GIADMO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1cc(C)ccc1OC)n2CC ZINC000459657046 823241891 /nfs/dbraw/zinc/24/18/91/823241891.db2.gz MMPOMMXPAVPYJL-INIZCTEOSA-N 1 1 395.503 4.401 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000057047397 823243234 /nfs/dbraw/zinc/24/32/34/823243234.db2.gz AQSLUXOCZAXQQE-NRFANRHFSA-N 1 1 386.580 4.476 20 0 GIADMO Fc1ccc(-n2nc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c3c2CCC3)cc1 ZINC000571844061 823243995 /nfs/dbraw/zinc/24/39/95/823243995.db2.gz ZWTJQEGYZVGYLL-YADHBBJMSA-N 1 1 381.495 4.034 20 0 GIADMO Fc1ccc(-n2nc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c3c2CCC3)cc1 ZINC000571844061 823244000 /nfs/dbraw/zinc/24/40/00/823244000.db2.gz ZWTJQEGYZVGYLL-YADHBBJMSA-N 1 1 381.495 4.034 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cn1 ZINC000057128627 823252352 /nfs/dbraw/zinc/25/23/52/823252352.db2.gz QOQLEQABOZHFCG-UHFFFAOYSA-N 1 1 391.519 4.215 20 0 GIADMO C[C@@H](c1nn(CN(C)CC2CC2)c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000057088786 823248485 /nfs/dbraw/zinc/24/84/85/823248485.db2.gz PMPZTPWPYIRLJH-KRWDZBQOSA-N 1 1 385.581 4.249 20 0 GIADMO CCC(CC)n1nccc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000121778925 823248918 /nfs/dbraw/zinc/24/89/18/823248918.db2.gz SXDGNYLALKKWFS-CALCHBBNSA-N 1 1 384.524 4.106 20 0 GIADMO CCC(CC)n1nccc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000121778925 823248921 /nfs/dbraw/zinc/24/89/21/823248921.db2.gz SXDGNYLALKKWFS-CALCHBBNSA-N 1 1 384.524 4.106 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)c2oc3ccccc3c2C)cn1 ZINC000057118226 823250594 /nfs/dbraw/zinc/25/05/94/823250594.db2.gz YECCWJACYBTDOW-OAHLLOKOSA-N 1 1 389.459 4.191 20 0 GIADMO FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000121785256 823250748 /nfs/dbraw/zinc/25/07/48/823250748.db2.gz SGXJXOYWRZACIE-OAHLLOKOSA-N 1 1 376.382 4.008 20 0 GIADMO CC(C)(C)c1nc(CNCc2cn(-c3ccccc3)nc2-c2cccs2)n[nH]1 ZINC000459704886 823253919 /nfs/dbraw/zinc/25/39/19/823253919.db2.gz MLLPBDGKRFPCFU-UHFFFAOYSA-N 1 1 392.532 4.306 20 0 GIADMO Cc1ccc(-c2ncc(C[NH2+][C@H]3c4sccc4OC(C)(C)[C@@H]3O)s2)o1 ZINC000459708661 823254798 /nfs/dbraw/zinc/25/47/98/823254798.db2.gz RMUHZMDCWLMJFA-GOEBONIOSA-N 1 1 376.503 4.136 20 0 GIADMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2ccc(O)cc2)CC1 ZINC000057153485 823255634 /nfs/dbraw/zinc/25/56/34/823255634.db2.gz RIMVKKDCONIBNX-QFIPXVFZSA-N 1 1 378.516 4.010 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)CC2)cs1 ZINC000176642161 823255937 /nfs/dbraw/zinc/25/59/37/823255937.db2.gz PBNBQAUHHAECQL-IIBYNOLFSA-N 1 1 383.561 4.068 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000188523784 823256169 /nfs/dbraw/zinc/25/61/69/823256169.db2.gz QERYIDRPKCMQGN-LBPRGKRZSA-N 1 1 399.844 4.348 20 0 GIADMO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000459722995 823256827 /nfs/dbraw/zinc/25/68/27/823256827.db2.gz AJHOBUUDMGAZJW-LOSJGSFVSA-N 1 1 393.550 4.010 20 0 GIADMO C[N@@H+]1CCC[C@@H](CCNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000459726695 823257190 /nfs/dbraw/zinc/25/71/90/823257190.db2.gz GNAUPFYZEHAUPJ-HNNXBMFYSA-N 1 1 379.957 4.197 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000459726695 823257196 /nfs/dbraw/zinc/25/71/96/823257196.db2.gz GNAUPFYZEHAUPJ-HNNXBMFYSA-N 1 1 379.957 4.197 20 0 GIADMO COc1cc(NCc2nc3c(s2)C[N@H+](C(C)C)CC3)cc(OC)c1Cl ZINC000459737028 823258876 /nfs/dbraw/zinc/25/88/76/823258876.db2.gz AOBINJINNJVIJO-UHFFFAOYSA-N 1 1 381.929 4.192 20 0 GIADMO Brc1cccc(-c2cnc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@H]43)o2)c1 ZINC000459741296 823259129 /nfs/dbraw/zinc/25/91/29/823259129.db2.gz YGUSCBDSIXXOQX-JKSUJKDBSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1cccc(-c2cnc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@H]43)o2)c1 ZINC000459741296 823259133 /nfs/dbraw/zinc/25/91/33/823259133.db2.gz YGUSCBDSIXXOQX-JKSUJKDBSA-N 1 1 389.293 4.105 20 0 GIADMO O=C(Nc1cccc(OCc2cccnc2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057175637 823259395 /nfs/dbraw/zinc/25/93/95/823259395.db2.gz JIDZQWYZXSTZON-QHCPKHFHSA-N 1 1 387.483 4.264 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057177107 823259584 /nfs/dbraw/zinc/25/95/84/823259584.db2.gz JFRXWRCDMMZFIY-LJQANCHMSA-N 1 1 379.504 4.276 20 0 GIADMO C[C@H]([NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccn(C)n1 ZINC000459749346 823259804 /nfs/dbraw/zinc/25/98/04/823259804.db2.gz KLSZQMNWQJBQKP-IFXJQAMLSA-N 1 1 385.309 4.212 20 0 GIADMO Cc1c(Br)cc(C[NH2+][C@H](C)c2ccn(C)n2)cc1Br ZINC000459754488 823260855 /nfs/dbraw/zinc/26/08/55/823260855.db2.gz OANNJUBBJKWRDK-SNVBAGLBSA-N 1 1 387.119 4.104 20 0 GIADMO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000409613060 823261705 /nfs/dbraw/zinc/26/17/05/823261705.db2.gz UTFHEVIULOQVRD-MISYRCLQSA-N 1 1 393.522 4.412 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000176668714 823262755 /nfs/dbraw/zinc/26/27/55/823262755.db2.gz GWLPLTRUHKQRDT-INIZCTEOSA-N 1 1 397.523 4.248 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000003585272 817488954 /nfs/dbraw/zinc/48/89/54/817488954.db2.gz DXPQXRNIAKBEBG-UHFFFAOYSA-N 1 1 397.700 4.182 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000003585272 817488956 /nfs/dbraw/zinc/48/89/56/817488956.db2.gz DXPQXRNIAKBEBG-UHFFFAOYSA-N 1 1 397.700 4.182 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409629649 823266761 /nfs/dbraw/zinc/26/67/61/823266761.db2.gz HJTQHGGDHHIITP-IEBWSBKVSA-N 1 1 379.495 4.118 20 0 GIADMO O=C(NC[C@@H]1CCCC(F)(F)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000409630180 823266845 /nfs/dbraw/zinc/26/68/45/823266845.db2.gz DKVNJRFUQYHMOY-HXUWFJFHSA-N 1 1 393.522 4.162 20 0 GIADMO C[C@H](NC(=O)NC[C@H]1CCCC(F)(F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409630746 823266984 /nfs/dbraw/zinc/26/69/84/823266984.db2.gz HIOLMJDFJKWDQR-YTQUADARSA-N 1 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CCOc1cccc2cc([C@@H](C)NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)oc21 ZINC000409647275 823272909 /nfs/dbraw/zinc/27/29/09/823272909.db2.gz HXTNJQGFSQWFJK-SJORKVTESA-N 1 1 392.499 4.456 20 0 GIADMO CCOc1cccc2cc([C@@H](C)NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)oc21 ZINC000409647275 823272912 /nfs/dbraw/zinc/27/29/12/823272912.db2.gz HXTNJQGFSQWFJK-SJORKVTESA-N 1 1 392.499 4.456 20 0 GIADMO CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176723968 823278153 /nfs/dbraw/zinc/27/81/53/823278153.db2.gz MPEGZWIEQRVYNZ-AVRDEDQJSA-N 1 1 393.531 4.064 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000121925805 823278398 /nfs/dbraw/zinc/27/83/98/823278398.db2.gz FMDVEOJFMIRVQF-IBGZPJMESA-N 1 1 398.576 4.473 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000121926778 823278624 /nfs/dbraw/zinc/27/86/24/823278624.db2.gz ZTZYCRLVBLLNMF-UHFFFAOYSA-N 1 1 389.499 4.094 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1occc1Br ZINC000176728976 823279545 /nfs/dbraw/zinc/27/95/45/823279545.db2.gz JXXLYTNCNZVXDU-AWEZNQCLSA-N 1 1 391.309 4.347 20 0 GIADMO CCCOc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1OC ZINC000572080315 823279631 /nfs/dbraw/zinc/27/96/31/823279631.db2.gz JWZDOACRXRBKKM-QHCPKHFHSA-N 1 1 387.495 4.050 20 0 GIADMO COC1(C(F)(F)F)CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC000572056464 823275162 /nfs/dbraw/zinc/27/51/62/823275162.db2.gz STZMTYRUHNFCHE-UHFFFAOYSA-N 1 1 380.410 4.204 20 0 GIADMO Cc1csc(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000057286290 823275886 /nfs/dbraw/zinc/27/58/86/823275886.db2.gz ARAQPVQZVODUMF-UHFFFAOYSA-N 1 1 386.565 4.215 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cccnc1 ZINC000057286044 823275980 /nfs/dbraw/zinc/27/59/80/823275980.db2.gz IMNPOMSHQZRJPJ-GOSISDBHSA-N 1 1 380.536 4.407 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc(F)c(Br)cc1F ZINC000121935037 823280032 /nfs/dbraw/zinc/28/00/32/823280032.db2.gz QTHDBHCGPWOZEC-LLVKDONJSA-N 1 1 390.272 4.065 20 0 GIADMO CCCc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH]c(C)c1C(C)=O ZINC000176722969 823277536 /nfs/dbraw/zinc/27/75/36/823277536.db2.gz WECPEPPUJWIHLP-UZLBHIALSA-N 1 1 395.547 4.261 20 0 GIADMO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000188665292 823282893 /nfs/dbraw/zinc/28/28/93/823282893.db2.gz FLRVKJGZJIMGET-GOSISDBHSA-N 1 1 380.385 4.262 20 0 GIADMO Cc1c(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cnn1CCC(C)C ZINC000121952259 823284065 /nfs/dbraw/zinc/28/40/65/823284065.db2.gz XPLGBFXAAVJSPJ-HDICACEKSA-N 1 1 398.551 4.099 20 0 GIADMO Cc1c(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)cnn1CCC(C)C ZINC000121952259 823284069 /nfs/dbraw/zinc/28/40/69/823284069.db2.gz XPLGBFXAAVJSPJ-HDICACEKSA-N 1 1 398.551 4.099 20 0 GIADMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@@H](O)CC(F)(F)F ZINC000188677414 823284555 /nfs/dbraw/zinc/28/45/55/823284555.db2.gz SBLACCHWTLFCSH-INIZCTEOSA-N 1 1 395.450 4.346 20 0 GIADMO C[C@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1c(F)cccc1F ZINC000460116562 823287499 /nfs/dbraw/zinc/28/74/99/823287499.db2.gz ZMHVTZIQULINDJ-QXAKKESOSA-N 1 1 399.485 4.189 20 0 GIADMO CSc1cccc(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000176768360 823288562 /nfs/dbraw/zinc/28/85/62/823288562.db2.gz TTZLONHPYAJKLZ-CALCHBBNSA-N 1 1 391.581 4.152 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000409717754 823289820 /nfs/dbraw/zinc/28/98/20/823289820.db2.gz CIMHSUKXXXFASR-OAHLLOKOSA-N 1 1 391.437 4.298 20 0 GIADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc3c(Br)ccc(F)c23)C1 ZINC000409730005 823292721 /nfs/dbraw/zinc/29/27/21/823292721.db2.gz FURKJFCGCWMERA-WFASDCNBSA-N 1 1 378.289 4.057 20 0 GIADMO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1cccs1 ZINC000007614122 817879939 /nfs/dbraw/zinc/87/99/39/817879939.db2.gz QZLFEQVCOFJKIT-ZDUSSCGKSA-N 1 1 381.339 4.210 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1cccs1 ZINC000007614122 817879949 /nfs/dbraw/zinc/87/99/49/817879949.db2.gz QZLFEQVCOFJKIT-ZDUSSCGKSA-N 1 1 381.339 4.210 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H](CO)c1ccccc1)C1CCCCC1 ZINC000176798481 823295521 /nfs/dbraw/zinc/29/55/21/823295521.db2.gz IHYPJGRTGPWLIU-NRFANRHFSA-N 1 1 395.547 4.349 20 0 GIADMO COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000460149708 823297837 /nfs/dbraw/zinc/29/78/37/823297837.db2.gz JQKZSLBVIFJOJO-RTWAWAEBSA-N 1 1 398.572 4.092 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000007682732 817894166 /nfs/dbraw/zinc/89/41/66/817894166.db2.gz JMAYGWQSOPVJRI-QFIPXVFZSA-N 1 1 398.503 4.233 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000007682732 817894174 /nfs/dbraw/zinc/89/41/74/817894174.db2.gz JMAYGWQSOPVJRI-QFIPXVFZSA-N 1 1 398.503 4.233 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000007682663 817894189 /nfs/dbraw/zinc/89/41/89/817894189.db2.gz SDGNZVITMJBZJI-DEOSSOPVSA-N 1 1 388.511 4.227 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380.460 4.259 20 0 GIADMO Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccccc2SC(F)F)c1 ZINC000016421291 818441600 /nfs/dbraw/zinc/44/16/00/818441600.db2.gz VPCJDRPBNMDPLE-UHFFFAOYSA-N 1 1 380.460 4.259 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)ccc1OC(F)F ZINC000016591935 818457651 /nfs/dbraw/zinc/45/76/51/818457651.db2.gz FAAJEAAACNOVEQ-UHFFFAOYSA-N 1 1 389.398 4.343 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2Cn2c3ccc(Cl)cc3oc2=O)c(OC)c1 ZINC000016874459 818485669 /nfs/dbraw/zinc/48/56/69/818485669.db2.gz DEPMZNCOPYAYBG-INIZCTEOSA-N 1 1 388.851 4.060 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2Cn2c3ccc(Cl)cc3oc2=O)c(OC)c1 ZINC000016874459 818485676 /nfs/dbraw/zinc/48/56/76/818485676.db2.gz DEPMZNCOPYAYBG-INIZCTEOSA-N 1 1 388.851 4.060 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000122338446 823340330 /nfs/dbraw/zinc/34/03/30/823340330.db2.gz RDADLZFNQFSGKU-CQSZACIVSA-N 1 1 381.293 4.140 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000122338446 823340335 /nfs/dbraw/zinc/34/03/35/823340335.db2.gz RDADLZFNQFSGKU-CQSZACIVSA-N 1 1 381.293 4.140 20 0 GIADMO O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1c(F)ccc([O-])c1F ZINC000572444855 823340478 /nfs/dbraw/zinc/34/04/78/823340478.db2.gz IESMNSLIBZUCGK-HNNXBMFYSA-N 1 1 394.849 4.108 20 0 GIADMO Cc1c(O)ccc2c(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)cc(=O)oc12 ZINC000017308106 818506913 /nfs/dbraw/zinc/50/69/13/818506913.db2.gz DLPMOQSJBLXARB-MRXNPFEDSA-N 1 1 385.485 4.050 20 0 GIADMO c1cn(CCc2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c2ccccc12 ZINC000572448387 823341319 /nfs/dbraw/zinc/34/13/19/823341319.db2.gz KRBOAZPFKBMWLO-HXUWFJFHSA-N 1 1 387.487 4.042 20 0 GIADMO COc1cc2c(cc1C[NH2+]Cc1c(C)nn(-c3ccccc3)c1C)O[C@@H](C)C2 ZINC000017318902 818509227 /nfs/dbraw/zinc/50/92/27/818509227.db2.gz DMJLZRJRFZZQFF-HNNXBMFYSA-N 1 1 377.488 4.111 20 0 GIADMO COc1cc(Cl)c(Cl)cc1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000572449450 823341543 /nfs/dbraw/zinc/34/15/43/823341543.db2.gz RQGJLHDUFTVFDW-UHFFFAOYSA-N 1 1 394.302 4.236 20 0 GIADMO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000057851872 823341585 /nfs/dbraw/zinc/34/15/85/823341585.db2.gz ATQDKFKXAINLKR-KGLIPLIRSA-N 1 1 393.300 4.286 20 0 GIADMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000057851872 823341591 /nfs/dbraw/zinc/34/15/91/823341591.db2.gz ATQDKFKXAINLKR-KGLIPLIRSA-N 1 1 393.300 4.286 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000057851981 823341646 /nfs/dbraw/zinc/34/16/46/823341646.db2.gz DELPRPJLBIBLRF-UHFFFAOYSA-N 1 1 382.838 4.032 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000057851981 823341651 /nfs/dbraw/zinc/34/16/51/823341651.db2.gz DELPRPJLBIBLRF-UHFFFAOYSA-N 1 1 382.838 4.032 20 0 GIADMO Cc1c(C[N@@H+](C)Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cnn1C ZINC000572452147 823342320 /nfs/dbraw/zinc/34/23/20/823342320.db2.gz DQROOMBFYUWYTO-OAHLLOKOSA-N 1 1 395.347 4.233 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000057856974 823342545 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CC(C)c1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000057949179 823349865 /nfs/dbraw/zinc/34/98/65/823349865.db2.gz CRQIRQUVJVMMMR-OAQYLSRUSA-N 1 1 382.548 4.282 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000572483952 823347492 /nfs/dbraw/zinc/34/74/92/823347492.db2.gz FINNHKSEBDLMFM-KKSFZXQISA-N 1 1 389.503 4.429 20 0 GIADMO Brc1cccc(-c2c[nH]c(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)n2)c1 ZINC000572483871 823347589 /nfs/dbraw/zinc/34/75/89/823347589.db2.gz XYNGEYRMQAIROD-CRAIPNDOSA-N 1 1 390.325 4.230 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000572484518 823347926 /nfs/dbraw/zinc/34/79/26/823347926.db2.gz JBTCRRBLUOQEQT-LJQANCHMSA-N 1 1 399.501 4.484 20 0 GIADMO C[C@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189051601 823348693 /nfs/dbraw/zinc/34/86/93/823348693.db2.gz HLQCKQNVHQBYNB-RDJZCZTQSA-N 1 1 392.503 4.206 20 0 GIADMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000057975325 823352123 /nfs/dbraw/zinc/35/21/23/823352123.db2.gz DODQITCZDFDJFD-AWEZNQCLSA-N 1 1 393.300 4.240 20 0 GIADMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000057975325 823352129 /nfs/dbraw/zinc/35/21/29/823352129.db2.gz DODQITCZDFDJFD-AWEZNQCLSA-N 1 1 393.300 4.240 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000020544757 818625019 /nfs/dbraw/zinc/62/50/19/818625019.db2.gz WXINERRUMVVXFN-UHFFFAOYSA-N 1 1 379.504 4.362 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)C1 ZINC000177030056 823354024 /nfs/dbraw/zinc/35/40/24/823354024.db2.gz ZQRNPZTXBYOKPG-KRWDZBQOSA-N 1 1 388.556 4.175 20 0 GIADMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cscc2C(F)(F)F)C1 ZINC000572536536 823356417 /nfs/dbraw/zinc/35/64/17/823356417.db2.gz OQGHNFOZGMZFSR-JTQLQIEISA-N 1 1 388.377 4.048 20 0 GIADMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2cscc2C(F)(F)F)C1 ZINC000572536536 823356423 /nfs/dbraw/zinc/35/64/23/823356423.db2.gz OQGHNFOZGMZFSR-JTQLQIEISA-N 1 1 388.377 4.048 20 0 GIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2coc3ccc4ccccc4c23)C[C@H](C)O1 ZINC000021525795 818699760 /nfs/dbraw/zinc/69/97/60/818699760.db2.gz DODBOWYFGFUPBU-CALCHBBNSA-N 1 1 394.515 4.133 20 0 GIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2coc3ccc4ccccc4c23)C[C@H](C)O1 ZINC000021525795 818699764 /nfs/dbraw/zinc/69/97/64/818699764.db2.gz DODBOWYFGFUPBU-CALCHBBNSA-N 1 1 394.515 4.133 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000409979858 823361062 /nfs/dbraw/zinc/36/10/62/823361062.db2.gz MCNYKBKEJWIQTB-LLVKDONJSA-N 1 1 382.348 4.186 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)C1 ZINC000572544060 823357955 /nfs/dbraw/zinc/35/79/55/823357955.db2.gz NPUVMQWHIGBGSX-FQEVSTJZSA-N 1 1 375.516 4.150 20 0 GIADMO O=C([C@@H]1CCCC(F)(F)C1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000409969583 823358082 /nfs/dbraw/zinc/35/80/82/823358082.db2.gz DAFKYZJNZOELTQ-TZIWHRDSSA-N 1 1 376.491 4.327 20 0 GIADMO O=C(CCCOc1cccc(F)c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572549164 823358995 /nfs/dbraw/zinc/35/89/95/823358995.db2.gz KCZMAGZVLKXBLG-DEOSSOPVSA-N 1 1 396.506 4.109 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)[N@H+]1CCc2ccccc2C1 ZINC000058073034 823359627 /nfs/dbraw/zinc/35/96/27/823359627.db2.gz REYIYSPHQNDAMC-OAHLLOKOSA-N 1 1 390.487 4.274 20 0 GIADMO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000460346507 823359954 /nfs/dbraw/zinc/35/99/54/823359954.db2.gz HBNLQJWYSBTUBL-OUAUKWLOSA-N 1 1 386.279 4.282 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000189123552 823360535 /nfs/dbraw/zinc/36/05/35/823360535.db2.gz HIDKAURCFWWAJF-LJQANCHMSA-N 1 1 393.556 4.346 20 0 GIADMO Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)cc1 ZINC000189125451 823360892 /nfs/dbraw/zinc/36/08/92/823360892.db2.gz QVBZTRLNTKABTE-DLBZAZTESA-N 1 1 377.492 4.307 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000022014834 818763730 /nfs/dbraw/zinc/76/37/30/818763730.db2.gz OQSAPIVMZIZEPT-IBGZPJMESA-N 1 1 380.488 4.139 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000022014834 818763731 /nfs/dbraw/zinc/76/37/31/818763731.db2.gz OQSAPIVMZIZEPT-IBGZPJMESA-N 1 1 380.488 4.139 20 0 GIADMO Cc1cc(CNC(=O)Nc2ccc(OC(C)C)cc2F)cc(N2CCCC2)[nH+]1 ZINC000572565890 823362083 /nfs/dbraw/zinc/36/20/83/823362083.db2.gz OMLYRBXHCLEVBL-UHFFFAOYSA-N 1 1 386.471 4.238 20 0 GIADMO CS[C@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000460354080 823362112 /nfs/dbraw/zinc/36/21/12/823362112.db2.gz SATAXRKPQXEWRA-GOTSBHOMSA-N 1 1 396.600 4.304 20 0 GIADMO CS[C@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)C[C@@H]1N1CCCC1 ZINC000460354080 823362119 /nfs/dbraw/zinc/36/21/19/823362119.db2.gz SATAXRKPQXEWRA-GOTSBHOMSA-N 1 1 396.600 4.304 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177065781 823363041 /nfs/dbraw/zinc/36/30/41/823363041.db2.gz GWNLFFYIMRFZRC-WZQKQDCOSA-N 1 1 390.574 4.391 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177065781 823363048 /nfs/dbraw/zinc/36/30/48/823363048.db2.gz GWNLFFYIMRFZRC-WZQKQDCOSA-N 1 1 390.574 4.391 20 0 GIADMO O=C(CC[NH+]1CCN(Cc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000022197583 818781986 /nfs/dbraw/zinc/78/19/86/818781986.db2.gz BGCNOMVSKUBPFI-UHFFFAOYSA-N 1 1 392.330 4.140 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 ZINC000022199267 818782627 /nfs/dbraw/zinc/78/26/27/818782627.db2.gz IQNIHYCMKDGWTP-GOSISDBHSA-N 1 1 386.879 4.277 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000460365072 823364642 /nfs/dbraw/zinc/36/46/42/823364642.db2.gz NKBZVZFWDYBFAQ-DYVFJYSZSA-N 1 1 389.293 4.198 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000460365072 823364649 /nfs/dbraw/zinc/36/46/49/823364649.db2.gz NKBZVZFWDYBFAQ-DYVFJYSZSA-N 1 1 389.293 4.198 20 0 GIADMO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c(C)n1[C@@H](C)c1ccccc1 ZINC000122514181 823365528 /nfs/dbraw/zinc/36/55/28/823365528.db2.gz NOXPBFGSVNVOJH-WMZOPIPTSA-N 1 1 378.520 4.285 20 0 GIADMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1Cc2ccccc2S1 ZINC000022619705 818834990 /nfs/dbraw/zinc/83/49/90/818834990.db2.gz BWOGSQPNZYCTOS-QUCCMNQESA-N 1 1 386.948 4.310 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)c2nc3c(s2)CCC3)cc1 ZINC000572602904 823368174 /nfs/dbraw/zinc/36/81/74/823368174.db2.gz ZOEBNKGPOCMWDD-ZIAGYGMSSA-N 1 1 395.532 4.247 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](CCCO)c2ccccc2)cc1 ZINC000122534215 823368581 /nfs/dbraw/zinc/36/85/81/823368581.db2.gz NTXFJYRSEMFTHZ-VGSWGCGISA-N 1 1 392.503 4.055 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022771835 818858852 /nfs/dbraw/zinc/85/88/52/818858852.db2.gz XUSWSPLTEHSNBR-HXUWFJFHSA-N 1 1 379.548 4.263 20 0 GIADMO Cc1cccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4ccccc4C)CC3)o2)c1 ZINC000022775303 818859462 /nfs/dbraw/zinc/85/94/62/818859462.db2.gz SGUUZAVARNWWFS-LJQANCHMSA-N 1 1 376.504 4.232 20 0 GIADMO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000022849143 818867235 /nfs/dbraw/zinc/86/72/35/818867235.db2.gz BMNYQERXEJOJPH-INIZCTEOSA-N 1 1 382.895 4.269 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2nc(-c3ccccc3F)no2)cc1 ZINC000189168671 823369381 /nfs/dbraw/zinc/36/93/81/823369381.db2.gz OXVNXDZGBDXFIK-AWEZNQCLSA-N 1 1 377.423 4.221 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2noc(-c3ccc(F)cc3F)n2)cc1 ZINC000189168724 823369475 /nfs/dbraw/zinc/36/94/75/823369475.db2.gz HNBQEXSBSKHSPM-ZDUSSCGKSA-N 1 1 395.413 4.360 20 0 GIADMO OCCC[N@@H+](CCCO[C@@H]1CCCCO1)Cc1ccc(Cl)c(Cl)c1 ZINC000460386577 823371908 /nfs/dbraw/zinc/37/19/08/823371908.db2.gz KYDROOXFSGWGEQ-GOSISDBHSA-N 1 1 376.324 4.111 20 0 GIADMO COc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023188126 818906391 /nfs/dbraw/zinc/90/63/91/818906391.db2.gz UDWRAQKCYCLJAL-UHFFFAOYSA-N 1 1 392.421 4.062 20 0 GIADMO COc1ccc(CN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)C2CC2)cc1 ZINC000023355623 818926924 /nfs/dbraw/zinc/92/69/24/818926924.db2.gz QXOUMIANCYMIID-HNNXBMFYSA-N 1 1 388.458 4.157 20 0 GIADMO COc1ccc(CN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)C2CC2)cc1 ZINC000023355623 818926929 /nfs/dbraw/zinc/92/69/29/818926929.db2.gz QXOUMIANCYMIID-HNNXBMFYSA-N 1 1 388.458 4.157 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000023355690 818927087 /nfs/dbraw/zinc/92/70/87/818927087.db2.gz YPWWCNJJPLVGOR-OAHLLOKOSA-N 1 1 378.488 4.256 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000023355690 818927090 /nfs/dbraw/zinc/92/70/90/818927090.db2.gz YPWWCNJJPLVGOR-OAHLLOKOSA-N 1 1 378.488 4.256 20 0 GIADMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000023390127 818932239 /nfs/dbraw/zinc/93/22/39/818932239.db2.gz FVULLGHWSQSJDU-GOSISDBHSA-N 1 1 387.426 4.313 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000058296147 823375672 /nfs/dbraw/zinc/37/56/72/823375672.db2.gz BJISETYZFNXPFQ-SFHVURJKSA-N 1 1 396.506 4.441 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCC(=O)c2ccc3ccccc3c2)C1 ZINC000058297243 823375938 /nfs/dbraw/zinc/37/59/38/823375938.db2.gz RFVKIHJMUJLJFG-LJQANCHMSA-N 1 1 380.532 4.431 20 0 GIADMO CCCN1CCC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1=O ZINC000189208480 823376333 /nfs/dbraw/zinc/37/63/33/823376333.db2.gz LOLAYPAXUFGNIX-UHFFFAOYSA-N 1 1 399.922 4.037 20 0 GIADMO CCCN1CCC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1=O ZINC000189208480 823376338 /nfs/dbraw/zinc/37/63/38/823376338.db2.gz LOLAYPAXUFGNIX-UHFFFAOYSA-N 1 1 399.922 4.037 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2c(F)cc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000177121750 823376484 /nfs/dbraw/zinc/37/64/84/823376484.db2.gz JVHFDCHKQPGRJQ-XJKSGUPXSA-N 1 1 377.410 4.279 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1cc(SC)ccc1Cl)[NH+](C)C ZINC000023691831 818974491 /nfs/dbraw/zinc/97/44/91/818974491.db2.gz SHQPDCBPXPKAJE-KRWDZBQOSA-N 1 1 378.925 4.103 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)c1 ZINC000023788614 818984420 /nfs/dbraw/zinc/98/44/20/818984420.db2.gz KTHBRVBQTLKVMN-UHFFFAOYSA-N 1 1 385.511 4.379 20 0 GIADMO CC(C)n1cc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000189229473 823378979 /nfs/dbraw/zinc/37/89/79/823378979.db2.gz ULVPNJMIINLSAV-RTBURBONSA-N 1 1 392.906 4.210 20 0 GIADMO CC(C)n1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000189229473 823378986 /nfs/dbraw/zinc/37/89/86/823378986.db2.gz ULVPNJMIINLSAV-RTBURBONSA-N 1 1 392.906 4.210 20 0 GIADMO CCCNC(=O)[C@H]1CCC[N@H+](Cn2c(-c3ccccc3)csc2=S)C1 ZINC000177140013 823380558 /nfs/dbraw/zinc/38/05/58/823380558.db2.gz GBFBGVTWTHHHEG-INIZCTEOSA-N 1 1 375.563 4.142 20 0 GIADMO CCCNC(=O)[C@H]1CCC[N@@H+](Cn2c(-c3ccccc3)csc2=S)C1 ZINC000177140013 823380564 /nfs/dbraw/zinc/38/05/64/823380564.db2.gz GBFBGVTWTHHHEG-INIZCTEOSA-N 1 1 375.563 4.142 20 0 GIADMO Cc1ccc2cc(C[NH2+]Cc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)ccc2n1 ZINC000189242671 823380852 /nfs/dbraw/zinc/38/08/52/823380852.db2.gz VSIROSOXYYDRHM-BGYRXZFFSA-N 1 1 389.543 4.442 20 0 GIADMO COc1ccc(Br)cc1C[N@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000024373942 819052271 /nfs/dbraw/zinc/05/22/71/819052271.db2.gz XTFRYUUPPCEFDQ-UHFFFAOYSA-N 1 1 396.235 4.175 20 0 GIADMO COc1ccc(Br)cc1C[N@@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000024373942 819052277 /nfs/dbraw/zinc/05/22/77/819052277.db2.gz XTFRYUUPPCEFDQ-UHFFFAOYSA-N 1 1 396.235 4.175 20 0 GIADMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000572683289 823382450 /nfs/dbraw/zinc/38/24/50/823382450.db2.gz ORSPUPHTEAWTQU-INIZCTEOSA-N 1 1 398.469 4.289 20 0 GIADMO Cc1cc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)sc1Br ZINC000572683333 823382520 /nfs/dbraw/zinc/38/25/20/823382520.db2.gz QQEZEOOSEGVMON-CYBMUJFWSA-N 1 1 385.327 4.215 20 0 GIADMO Cc1cc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)sc1Br ZINC000572683333 823382528 /nfs/dbraw/zinc/38/25/28/823382528.db2.gz QQEZEOOSEGVMON-CYBMUJFWSA-N 1 1 385.327 4.215 20 0 GIADMO Cc1ccc2cc(C[NH2+]Cc3ccccc3CN3C[C@H](C)O[C@@H](C)C3)ccc2n1 ZINC000189271087 823384241 /nfs/dbraw/zinc/38/42/41/823384241.db2.gz XCZJDUWCILYMBM-PMACEKPBSA-N 1 1 389.543 4.442 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 ZINC000058366501 823383437 /nfs/dbraw/zinc/38/34/37/823383437.db2.gz GXXKJTUCCXKWAW-MRXNPFEDSA-N 1 1 375.472 4.155 20 0 GIADMO CN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C1CCC(C(C)(C)C)CC1 ZINC000410067253 823383433 /nfs/dbraw/zinc/38/34/33/823383433.db2.gz TXZCQHUZZWFOHR-UHFFFAOYSA-N 1 1 385.596 4.111 20 0 GIADMO CCCn1ncc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000572696699 823385018 /nfs/dbraw/zinc/38/50/18/823385018.db2.gz AVRLJIUPMIRMSK-MSOLQXFVSA-N 1 1 395.551 4.297 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1F ZINC000572696356 823385104 /nfs/dbraw/zinc/38/51/04/823385104.db2.gz BOASORJTEKGCBJ-GOSISDBHSA-N 1 1 394.450 4.145 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2ccc(-n3ccnc3)nc2)c2ccc(F)cc2)cc1 ZINC000177156896 823386013 /nfs/dbraw/zinc/38/60/13/823386013.db2.gz BFPJQRUXXBBMTN-QHCPKHFHSA-N 1 1 388.446 4.294 20 0 GIADMO C[C@H]1OCC[C@@]12C[N@@H+]([C@@H]1CCCc3ccc(Br)cc31)C[C@@H](C)O2 ZINC000572708852 823386591 /nfs/dbraw/zinc/38/65/91/823386591.db2.gz NHTPGIKOSVAVPP-TWKYDXJASA-N 1 1 380.326 4.095 20 0 GIADMO C[C@H]1OCC[C@@]12C[N@H+]([C@@H]1CCCc3ccc(Br)cc31)C[C@@H](C)O2 ZINC000572708852 823386595 /nfs/dbraw/zinc/38/65/95/823386595.db2.gz NHTPGIKOSVAVPP-TWKYDXJASA-N 1 1 380.326 4.095 20 0 GIADMO O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cn1)c1ccco1 ZINC000177158714 823386776 /nfs/dbraw/zinc/38/67/76/823386776.db2.gz SRLFUSNMEZVSQN-GOSISDBHSA-N 1 1 387.277 4.173 20 0 GIADMO O=C(NCC1CCC(F)(F)CC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000410106090 823393260 /nfs/dbraw/zinc/39/32/60/823393260.db2.gz FVLXNTUHWUQHCY-MRXNPFEDSA-N 1 1 385.524 4.085 20 0 GIADMO C[NH+](C)[C@H](c1nc(-c2ccc(COCC(F)(F)F)cc2)no1)c1ccccc1 ZINC000572760619 823393960 /nfs/dbraw/zinc/39/39/60/823393960.db2.gz SHYIQOAVQHFCBY-KRWDZBQOSA-N 1 1 391.393 4.467 20 0 GIADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000410094768 823389542 /nfs/dbraw/zinc/38/95/42/823389542.db2.gz PGCMJDLRKOMHIC-PWIZWCRZSA-N 1 1 393.522 4.274 20 0 GIADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000410094768 823389549 /nfs/dbraw/zinc/38/95/49/823389549.db2.gz PGCMJDLRKOMHIC-PWIZWCRZSA-N 1 1 393.522 4.274 20 0 GIADMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CCc1ccccc1)Cc1cccnc1 ZINC000572732558 823390369 /nfs/dbraw/zinc/39/03/69/823390369.db2.gz IBEOUFJSUIVITH-RUZDIDTESA-N 1 1 399.538 4.175 20 0 GIADMO c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4nc(-c5ccccc5)c[nH]4)C3)cn2)cn1 ZINC000177171820 823390431 /nfs/dbraw/zinc/39/04/31/823390431.db2.gz KKSPWHIQQCOABK-HXUWFJFHSA-N 1 1 384.487 4.037 20 0 GIADMO Cc1ccccc1Cc1nnc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)o1 ZINC000122687462 823394904 /nfs/dbraw/zinc/39/49/04/823394904.db2.gz ANGSNEWMDPEAHY-GOSISDBHSA-N 1 1 388.471 4.490 20 0 GIADMO Cc1ccccc1Cc1nnc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)o1 ZINC000122687462 823394909 /nfs/dbraw/zinc/39/49/09/823394909.db2.gz ANGSNEWMDPEAHY-GOSISDBHSA-N 1 1 388.471 4.490 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCC[C@@H](C(C)(C)C)CC3)cs2)c1C ZINC000177189175 823395094 /nfs/dbraw/zinc/39/50/94/823395094.db2.gz GWCIGGLFWOGHJH-MRXNPFEDSA-N 1 1 388.581 4.169 20 0 GIADMO O=C(c1cc(Cl)c[nH]1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000122698149 823396637 /nfs/dbraw/zinc/39/66/37/823396637.db2.gz DINNSNNYQPBHHX-UHFFFAOYSA-N 1 1 385.817 4.035 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC[N@H+]1C ZINC000122701859 823397478 /nfs/dbraw/zinc/39/74/78/823397478.db2.gz IRVINXUKAAZZKQ-SWLSCSKDSA-N 1 1 397.466 4.384 20 0 GIADMO CSc1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000189348157 823398919 /nfs/dbraw/zinc/39/89/19/823398919.db2.gz ZFJQOXMICNIJAN-MRXNPFEDSA-N 1 1 390.574 4.141 20 0 GIADMO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000410130994 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GIADMO COc1ccccc1C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000058804729 823455119 /nfs/dbraw/zinc/45/51/19/823455119.db2.gz VMCVCAZZKVCARS-UHFFFAOYSA-N 1 1 380.532 4.016 20 0 GIADMO C(CCN1CCC[N@@H+](CCCCC2CCOCC2)CC1)CC1CCOCC1 ZINC000410310594 823459491 /nfs/dbraw/zinc/45/94/91/823459491.db2.gz MKLDQDVFOBGRLI-UHFFFAOYSA-N 1 1 380.617 4.188 20 0 GIADMO COc1cc(CN(C)C(=O)C[N@@H+](C(C)C)C2CC2)ccc1OCc1ccccc1 ZINC000026941715 820167003 /nfs/dbraw/zinc/16/70/03/820167003.db2.gz NJASOYRKBBJDNT-UHFFFAOYSA-N 1 1 396.531 4.105 20 0 GIADMO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)o1 ZINC000573169962 823459094 /nfs/dbraw/zinc/45/90/94/823459094.db2.gz ACZSHHUQJDVLEK-DNVCBOLYSA-N 1 1 393.487 4.062 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2occc2Br)CC[N@H+]1Cc1ccccc1 ZINC000177423043 823459154 /nfs/dbraw/zinc/45/91/54/823459154.db2.gz YOOZKBYNHJENTC-GDBMZVCRSA-N 1 1 391.309 4.167 20 0 GIADMO CCCOc1cccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000027070316 820188798 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GIADMO C[N@@H+](CCNC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1)C1CC1 ZINC000058857217 823462751 /nfs/dbraw/zinc/46/27/51/823462751.db2.gz AWBFEVUSWYFKKI-UHFFFAOYSA-N 1 1 385.577 4.390 20 0 GIADMO Clc1ccc(Br)cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177443938 823463107 /nfs/dbraw/zinc/46/31/07/823463107.db2.gz XMSJNFLJAXXTJQ-MRXNPFEDSA-N 1 1 388.733 4.263 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000027391024 820237605 /nfs/dbraw/zinc/23/76/05/820237605.db2.gz CIZIGJXOSORFMU-UHFFFAOYSA-N 1 1 388.511 4.262 20 0 GIADMO Cc1ccc2cc(C[N@H+]3CCCN(C(=O)c4cccc(F)c4)CC3)ccc2n1 ZINC000189640641 823465283 /nfs/dbraw/zinc/46/52/83/823465283.db2.gz VCJSEZBNYMDOOX-UHFFFAOYSA-N 1 1 377.463 4.030 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1C ZINC000573193220 823463555 /nfs/dbraw/zinc/46/35/55/823463555.db2.gz XKMYTRMJRFLYKG-IBGZPJMESA-N 1 1 398.522 4.301 20 0 GIADMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000027415819 820241776 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CC[C@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCC(C)CC1 ZINC000460666327 823471354 /nfs/dbraw/zinc/47/13/54/823471354.db2.gz DSUHKEDVKHUCIZ-FMFRFZGHSA-N 1 1 399.579 4.175 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(Br)cn1)c1ccco1 ZINC000177458753 823467470 /nfs/dbraw/zinc/46/74/70/823467470.db2.gz ACDYVOMZGZANAR-DLBZAZTESA-N 1 1 379.298 4.305 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(Br)cn1)c1ccco1 ZINC000177458753 823467471 /nfs/dbraw/zinc/46/74/71/823467471.db2.gz ACDYVOMZGZANAR-DLBZAZTESA-N 1 1 379.298 4.305 20 0 GIADMO Brc1ccc([C@H]2C[N@@H+](CCCCC3CCOCC3)CCO2)cc1 ZINC000410341552 823467766 /nfs/dbraw/zinc/46/77/66/823467766.db2.gz AAYZVMNFZXDOOA-LJQANCHMSA-N 1 1 382.342 4.419 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccnc3)cc2)C1 ZINC000410354244 823471388 /nfs/dbraw/zinc/47/13/88/823471388.db2.gz OEHGINBIDVQZFH-WMZHIEFXSA-N 1 1 392.547 4.360 20 0 GIADMO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027952434 820300127 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376.460 4.497 20 0 GIADMO COCc1ccccc1C[NH2+][C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000028370585 820330040 /nfs/dbraw/zinc/33/00/40/820330040.db2.gz SFNVSZYSDLBFTF-HSZRJFAPSA-N 1 1 390.483 4.311 20 0 GIADMO C[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000028381700 820331172 /nfs/dbraw/zinc/33/11/72/820331172.db2.gz VIEWMEUEDVLWNV-GJZGRUSLSA-N 1 1 375.513 4.036 20 0 GIADMO C[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2sccc2C1 ZINC000028381700 820331181 /nfs/dbraw/zinc/33/11/81/820331181.db2.gz VIEWMEUEDVLWNV-GJZGRUSLSA-N 1 1 375.513 4.036 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCc2ccccc2)C1 ZINC000410351595 823470768 /nfs/dbraw/zinc/47/07/68/823470768.db2.gz LWLSPBHNOGAOQR-HXUWFJFHSA-N 1 1 379.548 4.303 20 0 GIADMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000573251542 823470862 /nfs/dbraw/zinc/47/08/62/823470862.db2.gz RNOBTHZQHTVSEE-NSHDSACASA-N 1 1 381.826 4.131 20 0 GIADMO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000028621862 820345598 /nfs/dbraw/zinc/34/55/98/820345598.db2.gz MCYTWYCZBGTJMW-QFIPXVFZSA-N 1 1 376.456 4.173 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+](Cc3ccccc3F)C3CC3)cc(=O)oc2c1 ZINC000028732083 820354008 /nfs/dbraw/zinc/35/40/08/820354008.db2.gz RUWUOFKKDIQTEV-UHFFFAOYSA-N 1 1 380.419 4.055 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+](Cc3ccccc3F)C3CC3)cc(=O)oc2c1 ZINC000028732083 820354017 /nfs/dbraw/zinc/35/40/17/820354017.db2.gz RUWUOFKKDIQTEV-UHFFFAOYSA-N 1 1 380.419 4.055 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1Cl ZINC000028838317 820362589 /nfs/dbraw/zinc/36/25/89/820362589.db2.gz DEAUDLKLKXTXRX-NRFANRHFSA-N 1 1 381.907 4.092 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCOc1ccccc1F ZINC000410358252 823473558 /nfs/dbraw/zinc/47/35/58/823473558.db2.gz FDQKNRCMTHOCAC-GOSISDBHSA-N 1 1 399.510 4.078 20 0 GIADMO CCOc1c(OC)cc(C[NH2+]Cc2cccc(C)c2Br)cc1OC ZINC000190318442 823562205 /nfs/dbraw/zinc/56/22/05/823562205.db2.gz OASHMLGEWWSCRO-UHFFFAOYSA-N 1 1 394.309 4.463 20 0 GIADMO C[N@@H+](C[C@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C1CC1 ZINC000573295348 823477298 /nfs/dbraw/zinc/47/72/98/823477298.db2.gz QMBWWCDOPLJXOP-IBGZPJMESA-N 1 1 379.529 4.291 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000177489027 823474403 /nfs/dbraw/zinc/47/44/03/823474403.db2.gz CVDRZYNDWOOHSV-MOPGFXCFSA-N 1 1 389.584 4.006 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCO2 ZINC000410361915 823474502 /nfs/dbraw/zinc/47/45/02/823474502.db2.gz BCEUSQFJQQDDLI-QGZVFWFLSA-N 1 1 379.504 4.318 20 0 GIADMO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)c(OC)cc1Cl ZINC000028965099 820377582 /nfs/dbraw/zinc/37/75/82/820377582.db2.gz LWYHVODNYSJKBS-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO COc1ccc2nc(C)c(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc2c1 ZINC000029050277 820387155 /nfs/dbraw/zinc/38/71/55/820387155.db2.gz RHQWYDMMGBXWEX-OAQYLSRUSA-N 1 1 397.906 4.238 20 0 GIADMO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000029050154 820387178 /nfs/dbraw/zinc/38/71/78/820387178.db2.gz ZLAMJZJVHNISSG-FQEVSTJZSA-N 1 1 385.870 4.368 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCCOc1ccc(F)cc1)c1ccccc1Cl ZINC000029050821 820387807 /nfs/dbraw/zinc/38/78/07/820387807.db2.gz HMPOPHZQJDLOOY-LJQANCHMSA-N 1 1 378.875 4.057 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)CC1 ZINC000058954357 823475367 /nfs/dbraw/zinc/47/53/67/823475367.db2.gz JZNUYOXPATVFBI-UHFFFAOYSA-N 1 1 385.939 4.049 20 0 GIADMO CCOc1ccccc1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410365223 823475992 /nfs/dbraw/zinc/47/59/92/823475992.db2.gz CWFHCRIHQIYDSS-HDICACEKSA-N 1 1 397.519 4.016 20 0 GIADMO CC(C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000029174000 820405408 /nfs/dbraw/zinc/40/54/08/820405408.db2.gz QLEISDPFUUIMTO-DEOSSOPVSA-N 1 1 389.543 4.300 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000029198866 820409871 /nfs/dbraw/zinc/40/98/71/820409871.db2.gz QNFDHIRGVOGHKD-UHFFFAOYSA-N 1 1 393.531 4.273 20 0 GIADMO O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460680884 823476878 /nfs/dbraw/zinc/47/68/78/823476878.db2.gz NSBHXEROLAKDQS-UHFFFAOYSA-N 1 1 395.453 4.308 20 0 GIADMO O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460680884 823476881 /nfs/dbraw/zinc/47/68/81/823476881.db2.gz NSBHXEROLAKDQS-UHFFFAOYSA-N 1 1 395.453 4.308 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccccc1N(C)C ZINC000410386385 823483021 /nfs/dbraw/zinc/48/30/21/823483021.db2.gz UFZIETPTTAELSN-SFHVURJKSA-N 1 1 380.536 4.449 20 0 GIADMO COC(=O)c1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410374812 823479937 /nfs/dbraw/zinc/47/99/37/823479937.db2.gz NTYXYCRVRASPFJ-KRWDZBQOSA-N 1 1 395.503 4.027 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC[N@H+](C2CC2)CC1 ZINC000177516136 823480291 /nfs/dbraw/zinc/48/02/91/823480291.db2.gz PUFJXLDFKRBEMC-GFCCVEGCSA-N 1 1 381.307 4.275 20 0 GIADMO FC(F)C(F)(F)COCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000189718719 823481440 /nfs/dbraw/zinc/48/14/40/823481440.db2.gz WETODMHYFJFRPH-HNNXBMFYSA-N 1 1 376.781 4.331 20 0 GIADMO COc1ccc(C([NH2+]CC(=O)N(C)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000029643191 820490524 /nfs/dbraw/zinc/49/05/24/820490524.db2.gz YJZKECGHGSMBGP-UHFFFAOYSA-N 1 1 390.483 4.046 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000177529938 823483722 /nfs/dbraw/zinc/48/37/22/823483722.db2.gz KXMHUUUCBXOULE-UHFFFAOYSA-N 1 1 378.480 4.305 20 0 GIADMO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCCc2ccccc21 ZINC000029702591 820500765 /nfs/dbraw/zinc/50/07/65/820500765.db2.gz UQXIULUOQBXTIA-TZIWHRDSSA-N 1 1 382.467 4.233 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000029705025 820501424 /nfs/dbraw/zinc/50/14/24/820501424.db2.gz RAMXVMYWWAAAGH-OAHLLOKOSA-N 1 1 377.423 4.254 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1C ZINC000029707341 820502537 /nfs/dbraw/zinc/50/25/37/820502537.db2.gz SGGRIQSOJGWHKI-UHFFFAOYSA-N 1 1 378.516 4.163 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1C ZINC000029707341 820502540 /nfs/dbraw/zinc/50/25/40/820502540.db2.gz SGGRIQSOJGWHKI-UHFFFAOYSA-N 1 1 378.516 4.163 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000189759374 823489414 /nfs/dbraw/zinc/48/94/14/823489414.db2.gz WMXWZRMAEPPEMO-UHFFFAOYSA-N 1 1 396.457 4.268 20 0 GIADMO Cc1nn(C)c(C)c1CC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000123250955 823485325 /nfs/dbraw/zinc/48/53/25/823485325.db2.gz VAJZNPKMZYCGCG-NRFANRHFSA-N 1 1 387.487 4.009 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Sc3nc(C)cs3)cc2)C1 ZINC000177537818 823485560 /nfs/dbraw/zinc/48/55/60/823485560.db2.gz UMPKGWIPLZKUJJ-HNNXBMFYSA-N 1 1 390.578 4.408 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCc3ccccc3)CC2)c(OC)c1 ZINC000029808125 820522266 /nfs/dbraw/zinc/52/22/66/820522266.db2.gz LUPWBMRKLUFIEO-SFHVURJKSA-N 1 1 396.531 4.376 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000029825660 820526028 /nfs/dbraw/zinc/52/60/28/820526028.db2.gz NCDXGDHNDRLDSF-DOTOQJQBSA-N 1 1 381.451 4.024 20 0 GIADMO Cc1nc(-c2cccs2)sc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029839940 820529528 /nfs/dbraw/zinc/52/95/28/820529528.db2.gz VWKJFRLRUCWFDO-UHFFFAOYSA-N 1 1 397.569 4.358 20 0 GIADMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000029848841 820531975 /nfs/dbraw/zinc/53/19/75/820531975.db2.gz NKTIUYPQPCOJTG-UHFFFAOYSA-N 1 1 376.422 4.362 20 0 GIADMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000029848841 820531981 /nfs/dbraw/zinc/53/19/81/820531981.db2.gz NKTIUYPQPCOJTG-UHFFFAOYSA-N 1 1 376.422 4.362 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCCOc1ccccc1 ZINC000029854798 820532773 /nfs/dbraw/zinc/53/27/73/820532773.db2.gz KWVVBYIRDLUWRZ-UHFFFAOYSA-N 1 1 376.884 4.078 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000177545064 823487221 /nfs/dbraw/zinc/48/72/21/823487221.db2.gz VCEQYZKCSKDEIB-KRWDZBQOSA-N 1 1 377.492 4.094 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000029880296 820539235 /nfs/dbraw/zinc/53/92/35/820539235.db2.gz WPGRZHNCLCMGBP-UHFFFAOYSA-N 1 1 382.464 4.194 20 0 GIADMO CC[C@H](CNC(=O)CCC(=O)c1cc(C)sc1C)[N@H+]1CCc2ccccc2C1 ZINC000029911259 820546575 /nfs/dbraw/zinc/54/65/75/820546575.db2.gz RVMPOBPSEIYMEO-HXUWFJFHSA-N 1 1 398.572 4.281 20 0 GIADMO CC[C@@H](CNC(=O)c1csc(Br)c1)[N@H+]1CCc2ccccc2C1 ZINC000029912797 820546737 /nfs/dbraw/zinc/54/67/37/820546737.db2.gz OVSVQNCYLZPJNN-INIZCTEOSA-N 1 1 393.350 4.077 20 0 GIADMO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123266716 823488022 /nfs/dbraw/zinc/48/80/22/823488022.db2.gz GBOMBWIPFDJEQM-ZYHUDNBSSA-N 1 1 383.970 4.388 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](CCCc2ccccc2)c2ccccc2)cs1 ZINC000177549118 823488518 /nfs/dbraw/zinc/48/85/18/823488518.db2.gz FPDXHEIYUMLUAC-OAQYLSRUSA-N 1 1 393.556 4.285 20 0 GIADMO C[C@@H](c1nc(C(C)(C)C)no1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029965372 820558222 /nfs/dbraw/zinc/55/82/22/820558222.db2.gz LKIQTUJLODNYDB-AWEZNQCLSA-N 1 1 396.457 4.265 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)[C@H](C)C(C)C)cc2)cc1 ZINC000030148830 820579120 /nfs/dbraw/zinc/57/91/20/820579120.db2.gz NHDDFKJZGVKARB-QGZVFWFLSA-N 1 1 397.519 4.252 20 0 GIADMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000030149024 820579140 /nfs/dbraw/zinc/57/91/40/820579140.db2.gz HHLXOUZDQAKJFM-ZWKOTPCHSA-N 1 1 381.520 4.092 20 0 GIADMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000030149312 820579171 /nfs/dbraw/zinc/57/91/71/820579171.db2.gz OIPWAOYFQQMMSW-MRXNPFEDSA-N 1 1 388.533 4.029 20 0 GIADMO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C2CC2)o1 ZINC000030152539 820579875 /nfs/dbraw/zinc/57/98/75/820579875.db2.gz MNPFLKMGYXKYJW-UGSOOPFHSA-N 1 1 383.879 4.229 20 0 GIADMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C2CC2)o1 ZINC000030152539 820579883 /nfs/dbraw/zinc/57/98/83/820579883.db2.gz MNPFLKMGYXKYJW-UGSOOPFHSA-N 1 1 383.879 4.229 20 0 GIADMO Cc1ccc2c(C[N@H+](C)Cc3ccc(Br)o3)cc(=O)oc2c1C ZINC000030214274 820586970 /nfs/dbraw/zinc/58/69/70/820586970.db2.gz RJCMXBSZQDCXCC-UHFFFAOYSA-N 1 1 376.250 4.397 20 0 GIADMO Cc1ccc2c(C[N@@H+](C)Cc3ccc(Br)o3)cc(=O)oc2c1C ZINC000030214274 820586978 /nfs/dbraw/zinc/58/69/78/820586978.db2.gz RJCMXBSZQDCXCC-UHFFFAOYSA-N 1 1 376.250 4.397 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000030268659 820592514 /nfs/dbraw/zinc/59/25/14/820592514.db2.gz CNBNAYWQPQFSGR-UHFFFAOYSA-N 1 1 394.874 4.217 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)C2(c3cccc(Br)c3)CCCC2)CC[N@H+]1C ZINC000123314544 823494919 /nfs/dbraw/zinc/49/49/19/823494919.db2.gz BJULKXJYIYDLTI-CRAIPNDOSA-N 1 1 393.369 4.202 20 0 GIADMO CC[C@H](CNC(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000059308498 823491064 /nfs/dbraw/zinc/49/10/64/823491064.db2.gz ZEPCYMLZJYYRNK-UXHICEINSA-N 1 1 383.561 4.432 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CCc2ccc(F)cc2)cc1 ZINC000123316429 823495178 /nfs/dbraw/zinc/49/51/78/823495178.db2.gz UWGJTSLMQGJFAX-INIZCTEOSA-N 1 1 380.467 4.265 20 0 GIADMO COc1cc(CN(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ccc1SC ZINC000060559529 823542362 /nfs/dbraw/zinc/54/23/62/823542362.db2.gz MESYLYONMQZGLC-MRXNPFEDSA-N 1 1 393.597 4.069 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1)Nc1ccccc1 ZINC000030590409 820647412 /nfs/dbraw/zinc/64/74/12/820647412.db2.gz LLQYJGNKYPAOSA-JOCHJYFZSA-N 1 1 389.503 4.049 20 0 GIADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1)Nc1ccccc1 ZINC000030590409 820647416 /nfs/dbraw/zinc/64/74/16/820647416.db2.gz LLQYJGNKYPAOSA-JOCHJYFZSA-N 1 1 389.503 4.049 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177582672 823496089 /nfs/dbraw/zinc/49/60/89/823496089.db2.gz AOUQCOMARLATQP-QFBILLFUSA-N 1 1 394.943 4.026 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460729896 823497427 /nfs/dbraw/zinc/49/74/27/823497427.db2.gz JXWFSYDEESZMMO-GASCZTMLSA-N 1 1 375.900 4.093 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460738488 823500697 /nfs/dbraw/zinc/50/06/97/823500697.db2.gz UOEUHIUYIAKGAE-UHFFFAOYSA-N 1 1 392.494 4.043 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000410511457 823500538 /nfs/dbraw/zinc/50/05/38/823500538.db2.gz GUFPKMIOLXMNHO-KZULUSFZSA-N 1 1 380.319 4.344 20 0 GIADMO COc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OC)cc1Cl ZINC000030942646 820710420 /nfs/dbraw/zinc/71/04/20/820710420.db2.gz LAAIRWDJAIOHTK-MRXNPFEDSA-N 1 1 388.895 4.208 20 0 GIADMO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)NCc4cccs4)CC3)oc21 ZINC000189810332 823499178 /nfs/dbraw/zinc/49/91/78/823499178.db2.gz OEOZRBXWAGIYIF-OAHLLOKOSA-N 1 1 383.517 4.082 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000030984981 820715737 /nfs/dbraw/zinc/71/57/37/820715737.db2.gz RPDGJMRMQLJICY-UHFFFAOYSA-N 1 1 396.878 4.241 20 0 GIADMO COc1cccc([C@H](C)CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000177629167 823504300 /nfs/dbraw/zinc/50/43/00/823504300.db2.gz UEHMSBWZVWIHKZ-MSOLQXFVSA-N 1 1 386.561 4.279 20 0 GIADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000123388319 823504307 /nfs/dbraw/zinc/50/43/07/823504307.db2.gz BLDCIJXGIKBQRA-CALCHBBNSA-N 1 1 395.503 4.149 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000059990990 823504398 /nfs/dbraw/zinc/50/43/98/823504398.db2.gz YXXAQWNWNTUCER-OAHLLOKOSA-N 1 1 393.369 4.107 20 0 GIADMO C[N@@H+](CCCNC(=O)N[C@H]1CCSc2c(F)cccc21)C1CCCCC1 ZINC000031106282 820744399 /nfs/dbraw/zinc/74/43/99/820744399.db2.gz IQWUFPUWISOYCO-SFHVURJKSA-N 1 1 379.545 4.316 20 0 GIADMO C[C@H](CNC(=O)N[C@H]1CCSc2c(F)cccc21)[N@H+]1CCc2ccccc2C1 ZINC000031106708 820744737 /nfs/dbraw/zinc/74/47/37/820744737.db2.gz VZXQSICKNCYMRQ-QRWLVFNGSA-N 1 1 399.535 4.109 20 0 GIADMO C[N@@H+](CCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCCCC1 ZINC000031144859 820752267 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4.217 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCc1ccccn1 ZINC000123408763 823506756 /nfs/dbraw/zinc/50/67/56/823506756.db2.gz OHKIOXRTPUBEOP-HSZRJFAPSA-N 1 1 389.499 4.335 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000123408763 823506761 /nfs/dbraw/zinc/50/67/61/823506761.db2.gz OHKIOXRTPUBEOP-HSZRJFAPSA-N 1 1 389.499 4.335 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(Cl)cc(Cl)c3)c2)CCO1 ZINC000060064762 823506829 /nfs/dbraw/zinc/50/68/29/823506829.db2.gz ZEXMPFYJAHLKFW-CQSZACIVSA-N 1 1 393.314 4.144 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(Cl)cc(Cl)c3)c2)CCO1 ZINC000060064762 823506833 /nfs/dbraw/zinc/50/68/33/823506833.db2.gz ZEXMPFYJAHLKFW-CQSZACIVSA-N 1 1 393.314 4.144 20 0 GIADMO COc1ccc([C@H]([NH2+]CC(=O)NC2CCCCCC2)c2ccc(F)cc2)cc1 ZINC000060089126 823507264 /nfs/dbraw/zinc/50/72/64/823507264.db2.gz ZMDASOIXEMBAJI-HSZRJFAPSA-N 1 1 384.495 4.352 20 0 GIADMO O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031565996 820827227 /nfs/dbraw/zinc/82/72/27/820827227.db2.gz YGGNLDYTGQTUEC-LJQANCHMSA-N 1 1 376.422 4.029 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2c(F)cc(Cl)cc2F)[C@H](C(F)(F)F)C1 ZINC000410672181 823508377 /nfs/dbraw/zinc/50/83/77/823508377.db2.gz SOKCEMHYLXGDSK-NXEZZACHSA-N 1 1 384.776 4.466 20 0 GIADMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000177656825 823508675 /nfs/dbraw/zinc/50/86/75/823508675.db2.gz QUZLWLFIFCPBGG-HNNXBMFYSA-N 1 1 387.499 4.201 20 0 GIADMO CC(C)(CNC(=O)c1c[nH]cc1-c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000460776433 823509334 /nfs/dbraw/zinc/50/93/34/823509334.db2.gz CMBFKNRJZXIHIB-UHFFFAOYSA-N 1 1 391.490 4.388 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3COc4ccc(C)cc43)c2)cc1 ZINC000123477283 823512971 /nfs/dbraw/zinc/51/29/71/823512971.db2.gz SDDZOWROZIMTLN-JOCHJYFZSA-N 1 1 388.467 4.479 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000177728111 823517702 /nfs/dbraw/zinc/51/77/02/823517702.db2.gz MWFOHQVCVQXLQB-OHZJNBGDSA-N 1 1 395.524 4.212 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000177728111 823517704 /nfs/dbraw/zinc/51/77/04/823517704.db2.gz MWFOHQVCVQXLQB-OHZJNBGDSA-N 1 1 395.524 4.212 20 0 GIADMO O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000032332157 820918542 /nfs/dbraw/zinc/91/85/42/820918542.db2.gz KLWKNNPVYRNIBC-UHFFFAOYSA-N 1 1 394.906 4.078 20 0 GIADMO O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000032332157 820918545 /nfs/dbraw/zinc/91/85/45/820918545.db2.gz KLWKNNPVYRNIBC-UHFFFAOYSA-N 1 1 394.906 4.078 20 0 GIADMO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177711113 823515572 /nfs/dbraw/zinc/51/55/72/823515572.db2.gz JBUQCJGVRJSVPO-PGRDOPGGSA-N 1 1 394.563 4.374 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177718180 823516361 /nfs/dbraw/zinc/51/63/61/823516361.db2.gz LKIVIQZOYZVYEQ-QRTARXTBSA-N 1 1 384.549 4.104 20 0 GIADMO CCc1ccc2c(C[N@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)cc(=O)oc2c1 ZINC000177726094 823517313 /nfs/dbraw/zinc/51/73/13/823517313.db2.gz SGFNOCHZLQYCQO-RXAIFQJESA-N 1 1 383.513 4.286 20 0 GIADMO CCc1ccc2c(C[N@@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)cc(=O)oc2c1 ZINC000177726094 823517314 /nfs/dbraw/zinc/51/73/14/823517314.db2.gz SGFNOCHZLQYCQO-RXAIFQJESA-N 1 1 383.513 4.286 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+](C)[C@@H]3CCCc4ccccc43)cc(=O)oc2c1 ZINC000032512302 820963718 /nfs/dbraw/zinc/96/37/18/820963718.db2.gz RWVKOBAPSRCZRX-OAQYLSRUSA-N 1 1 376.456 4.261 20 0 GIADMO Cc1ccc(NCc2csc(C3CC3)n2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123537132 823518922 /nfs/dbraw/zinc/51/89/22/823518922.db2.gz AQTDVDWKTPKFQJ-UHFFFAOYSA-N 1 1 384.549 4.365 20 0 GIADMO Cc1[nH+]ccn1CCCC(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000060358699 823519293 /nfs/dbraw/zinc/51/92/93/823519293.db2.gz OVMSOTOLWPDWOS-UHFFFAOYSA-N 1 1 391.450 4.217 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1cccc(F)c1 ZINC000032728855 820998043 /nfs/dbraw/zinc/99/80/43/820998043.db2.gz SJXOOQSUWDCEGE-QFIPXVFZSA-N 1 1 396.506 4.087 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000032730913 820998596 /nfs/dbraw/zinc/99/85/96/820998596.db2.gz YXRJPLRFTLZXJI-LSDHHAIUSA-N 1 1 382.932 4.130 20 0 GIADMO C[C@@H](CNC(=O)c1ccccc1SCc1cscn1)[N@H+]1CCCC[C@H]1C ZINC000032737160 821000953 /nfs/dbraw/zinc/00/09/53/821000953.db2.gz LGUZIVZVOXXOLR-CVEARBPZSA-N 1 1 389.590 4.428 20 0 GIADMO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@H](C)[N@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000032737037 821001279 /nfs/dbraw/zinc/00/12/79/821001279.db2.gz RNBCWKMHYIHXMP-ROUUACIJSA-N 1 1 398.551 4.172 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000460818753 823521063 /nfs/dbraw/zinc/52/10/63/823521063.db2.gz QNSGQGDUJSUQPG-UHFFFAOYSA-N 1 1 387.321 4.024 20 0 GIADMO CCOC(=O)[C@@](C)(C[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2)o1)c1ccccc1 ZINC000189980959 823521082 /nfs/dbraw/zinc/52/10/82/823521082.db2.gz XBGJCWAZBZAGQP-HXOBKFHXSA-N 1 1 393.487 4.217 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000189983431 823521357 /nfs/dbraw/zinc/52/13/57/823521357.db2.gz QCMKHXYMSWQTSX-YXMMZVCTSA-N 1 1 388.508 4.072 20 0 GIADMO CCO[C@H]1C[C@@](CO)([NH2+]Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1(C)C ZINC000189984472 823521528 /nfs/dbraw/zinc/52/15/28/823521528.db2.gz VFPHPMNUFTYXLL-LPHOPBHVSA-N 1 1 398.425 4.016 20 0 GIADMO CCO[C@H]1C[C@](CO)([NH2+]Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1(C)C ZINC000189984511 823521565 /nfs/dbraw/zinc/52/15/65/823521565.db2.gz VFPHPMNUFTYXLL-QFBILLFUSA-N 1 1 398.425 4.016 20 0 GIADMO COc1ccccc1-c1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000123584496 823523899 /nfs/dbraw/zinc/52/38/99/823523899.db2.gz ZWNJXQZCYHQJOB-SFHVURJKSA-N 1 1 381.520 4.462 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NCc2csc(Nc3ccccc3)n2)[C@H](C)C1 ZINC000189994126 823523256 /nfs/dbraw/zinc/52/32/56/823523256.db2.gz AQPMDNFKTAPXLA-YLJYHZDGSA-N 1 1 388.581 4.113 20 0 GIADMO CC[C@@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(C)noc1C ZINC000123631223 823527625 /nfs/dbraw/zinc/52/76/25/823527625.db2.gz VBRDOUZSKJBHPS-VQTJNVASSA-N 1 1 384.524 4.049 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)CC1 ZINC000060440017 823527840 /nfs/dbraw/zinc/52/78/40/823527840.db2.gz JRQZIWXPHWARGL-UHFFFAOYSA-N 1 1 387.527 4.047 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123634967 823528105 /nfs/dbraw/zinc/52/81/05/823528105.db2.gz QFHGVCVJWLBFMB-FGZHOGPDSA-N 1 1 396.556 4.425 20 0 GIADMO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000036075051 821068567 /nfs/dbraw/zinc/06/85/67/821068567.db2.gz KOGXGWXCZYUVPW-UGSOOPFHSA-N 1 1 381.303 4.180 20 0 GIADMO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000036075055 821068657 /nfs/dbraw/zinc/06/86/57/821068657.db2.gz KOGXGWXCZYUVPW-SCLBCKFNSA-N 1 1 381.303 4.180 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1Cl ZINC000036674249 821075238 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C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCOc2cccc(F)c2)cc1 ZINC000060426068 823525920 /nfs/dbraw/zinc/52/59/20/823525920.db2.gz KJLVLFLREFZCAR-GOSISDBHSA-N 1 1 384.495 4.285 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2=Cc3ccccc3OC2)cc1 ZINC000060425982 823525976 /nfs/dbraw/zinc/52/59/76/823525976.db2.gz VMILFZAOTHDXNV-GOSISDBHSA-N 1 1 376.500 4.153 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCc1cccn1C)CC2 ZINC000123614365 823525997 /nfs/dbraw/zinc/52/59/97/823525997.db2.gz PKTHJACAJWGXQL-UHFFFAOYSA-N 1 1 391.515 4.213 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)nnn1-c1ccc(Cl)cc1 ZINC000177791749 823526649 /nfs/dbraw/zinc/52/66/49/823526649.db2.gz MXBXDXWJOGOGIC-OLZOCXBDSA-N 1 1 384.867 4.370 20 0 GIADMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)nnn1-c1ccc(Cl)cc1 ZINC000177791718 823526709 /nfs/dbraw/zinc/52/67/09/823526709.db2.gz MXBXDXWJOGOGIC-QWHCGFSZSA-N 1 1 384.867 4.370 20 0 GIADMO C[N@@H+]1CCCC[C@H]1CN1CCN(CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000190048672 823530473 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CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000060466837 823531423 /nfs/dbraw/zinc/53/14/23/823531423.db2.gz ILPMOMTVIUQYCE-KRWDZBQOSA-N 1 1 383.410 4.278 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000460882344 823535561 /nfs/dbraw/zinc/53/55/61/823535561.db2.gz MDUURVAEXVINJU-CQSZACIVSA-N 1 1 386.521 4.084 20 0 GIADMO COc1cc(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1C ZINC000060475160 823532163 /nfs/dbraw/zinc/53/21/63/823532163.db2.gz GMINEDCHJSGEII-GOSISDBHSA-N 1 1 380.532 4.094 20 0 GIADMO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000190063418 823532464 /nfs/dbraw/zinc/53/24/64/823532464.db2.gz BRYNPNPFPZBQDC-UHFFFAOYSA-N 1 1 392.956 4.319 20 0 GIADMO Cn1cc(-c2nc(C[NH2+]C(C)(C)c3ccc(Br)cc3)cs2)cn1 ZINC000060478200 823532545 /nfs/dbraw/zinc/53/25/45/823532545.db2.gz LHUBRBXJBXDEPT-UHFFFAOYSA-N 1 1 391.338 4.331 20 0 GIADMO O=C1NC2(CC[NH+](Cc3ccccc3Cl)CC2)Nc2ccc(Cl)cc21 ZINC000040427085 821159270 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CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000041488493 821197553 /nfs/dbraw/zinc/19/75/53/821197553.db2.gz ZGTFNAPNLGPEFZ-UHFFFAOYSA-N 1 1 395.547 4.079 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000060501553 823535248 /nfs/dbraw/zinc/53/52/48/823535248.db2.gz YHBJUNBOVDFOCF-OAHLLOKOSA-N 1 1 389.908 4.398 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1c[nH]c2ccccc12 ZINC000123745564 823536815 /nfs/dbraw/zinc/53/68/15/823536815.db2.gz BVKNZBOVWLOVFD-OAQYLSRUSA-N 1 1 390.531 4.009 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2)CC1 ZINC000041577119 821213223 /nfs/dbraw/zinc/21/32/23/821213223.db2.gz ZHPZFEDGZBTHHT-UHFFFAOYSA-N 1 1 396.293 4.132 20 0 GIADMO CCCOc1ccc(CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)c(C)c1 ZINC000190097849 823537276 /nfs/dbraw/zinc/53/72/76/823537276.db2.gz UFYAUVACEZUXOF-UHFFFAOYSA-N 1 1 381.520 4.020 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2cccc(F)c2)no1 ZINC000041765384 821225344 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392.503 4.172 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NCCC[N@H+](C)C(C)C ZINC000041927292 821245838 /nfs/dbraw/zinc/24/58/38/821245838.db2.gz SOJPWWHZPKKVBO-UHFFFAOYSA-N 1 1 375.538 4.044 20 0 GIADMO CCOc1cccc2c1OCC(C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)=C2 ZINC000060549609 823541275 /nfs/dbraw/zinc/54/12/75/823541275.db2.gz MPBILAVGBAWVOY-UHFFFAOYSA-N 1 1 394.515 4.018 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC[N@H+]1CC(C)(C)O ZINC000190120296 823539862 /nfs/dbraw/zinc/53/98/62/823539862.db2.gz UFUQPQPLECWKAR-MRXNPFEDSA-N 1 1 391.581 4.030 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000042132527 821272569 /nfs/dbraw/zinc/27/25/69/821272569.db2.gz VQWSRBODLWIJKA-HOTGVXAUSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000042132527 821272577 /nfs/dbraw/zinc/27/25/77/821272577.db2.gz VQWSRBODLWIJKA-HOTGVXAUSA-N 1 1 381.451 4.482 20 0 GIADMO CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CC1 ZINC000042133784 821273153 /nfs/dbraw/zinc/27/31/53/821273153.db2.gz PWYWJCHMHZKCEQ-QZTJIDSGSA-N 1 1 387.568 4.155 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000042326819 821300208 /nfs/dbraw/zinc/30/02/08/821300208.db2.gz VAUQGUDRXWNEJQ-LJQANCHMSA-N 1 1 376.504 4.257 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000042326819 821300217 /nfs/dbraw/zinc/30/02/17/821300217.db2.gz VAUQGUDRXWNEJQ-LJQANCHMSA-N 1 1 376.504 4.257 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000042334652 821301617 /nfs/dbraw/zinc/30/16/17/821301617.db2.gz YUGKTTHZFZMDEX-MRXNPFEDSA-N 1 1 382.504 4.042 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000042334652 821301627 /nfs/dbraw/zinc/30/16/27/821301627.db2.gz YUGKTTHZFZMDEX-MRXNPFEDSA-N 1 1 382.504 4.042 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)C2CC2)cc1 ZINC000042354953 821303958 /nfs/dbraw/zinc/30/39/58/821303958.db2.gz HJAYBGPXKBQSQC-LADGPHEKSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)C2CC2)cc1 ZINC000042354953 821303964 /nfs/dbraw/zinc/30/39/64/821303964.db2.gz HJAYBGPXKBQSQC-LADGPHEKSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)cc1OC ZINC000042473694 821308423 /nfs/dbraw/zinc/30/84/23/821308423.db2.gz KKFRAIRUBVKODT-FXAWDEMLSA-N 1 1 382.504 4.060 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000042539801 821310434 /nfs/dbraw/zinc/31/04/34/821310434.db2.gz XZJWWGCDNUTNQN-QGZVFWFLSA-N 1 1 377.488 4.070 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000042539801 821310444 /nfs/dbraw/zinc/31/04/44/821310444.db2.gz XZJWWGCDNUTNQN-QGZVFWFLSA-N 1 1 377.488 4.070 20 0 GIADMO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000042633532 821316901 /nfs/dbraw/zinc/31/69/01/821316901.db2.gz AGTFOOAOHKVWLV-CYBMUJFWSA-N 1 1 376.859 4.391 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C1CCCCC1 ZINC000042723019 821326897 /nfs/dbraw/zinc/32/68/97/821326897.db2.gz SELIISOPXUDAFI-HXUWFJFHSA-N 1 1 397.563 4.038 20 0 GIADMO O=C(Cc1cccc2cccnc21)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000042743702 821329869 /nfs/dbraw/zinc/32/98/69/821329869.db2.gz JWWKAVLDXZAUJF-UHFFFAOYSA-N 1 1 393.918 4.165 20 0 GIADMO O=C(Cc1cccc2cccnc21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000042743702 821329880 /nfs/dbraw/zinc/32/98/80/821329880.db2.gz JWWKAVLDXZAUJF-UHFFFAOYSA-N 1 1 393.918 4.165 20 0 GIADMO Cc1c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cnn1-c1ccccc1F ZINC000043086375 821359479 /nfs/dbraw/zinc/35/94/79/821359479.db2.gz IOYSKNGYGCAYEN-UHFFFAOYSA-N 1 1 394.494 4.090 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccccc3Br)CC2)c1 ZINC000043133578 821365276 /nfs/dbraw/zinc/36/52/76/821365276.db2.gz FEDQWTQQENLDPR-UHFFFAOYSA-N 1 1 388.309 4.107 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccco1 ZINC000043137783 821367129 /nfs/dbraw/zinc/36/71/29/821367129.db2.gz XMEDPYGNJJVEKS-QGZVFWFLSA-N 1 1 395.425 4.275 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC000043146686 821368014 /nfs/dbraw/zinc/36/80/14/821368014.db2.gz MXMZZHSTLPPPDX-IYBDPMFKSA-N 1 1 387.911 4.271 20 0 GIADMO O=C(Nc1ccc(F)c(F)c1F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043233201 821378770 /nfs/dbraw/zinc/37/87/70/821378770.db2.gz UQEQBZJLIFKVQU-UHFFFAOYSA-N 1 1 397.828 4.497 20 0 GIADMO O=C(Nc1ccc(F)c(F)c1F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043233201 821378778 /nfs/dbraw/zinc/37/87/78/821378778.db2.gz UQEQBZJLIFKVQU-UHFFFAOYSA-N 1 1 397.828 4.497 20 0 GIADMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043239372 821379938 /nfs/dbraw/zinc/37/99/38/821379938.db2.gz IMDAYUILRYZLGJ-SJLPKXTDSA-N 1 1 394.544 4.273 20 0 GIADMO Cn1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c(-c2cccs2)n1 ZINC000180650218 821382799 /nfs/dbraw/zinc/38/27/99/821382799.db2.gz DVKFPCKWDMAAAR-LJQANCHMSA-N 1 1 393.512 4.477 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000180654508 821384380 /nfs/dbraw/zinc/38/43/80/821384380.db2.gz XBEBZUMXSPEKHI-CZUORRHYSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000180654508 821384389 /nfs/dbraw/zinc/38/43/89/821384389.db2.gz XBEBZUMXSPEKHI-CZUORRHYSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000180656487 821384585 /nfs/dbraw/zinc/38/45/85/821384585.db2.gz GGJOIDDDTACBJJ-OXQOHEQNSA-N 1 1 385.508 4.233 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000180656011 821384726 /nfs/dbraw/zinc/38/47/26/821384726.db2.gz RQIMCTUJBIYDIE-JXFKEZNVSA-N 1 1 385.895 4.279 20 0 GIADMO CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000043307407 821390062 /nfs/dbraw/zinc/39/00/62/821390062.db2.gz BUKGRHNHEUMTLM-GOSISDBHSA-N 1 1 381.854 4.063 20 0 GIADMO C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ncc(Br)s1 ZINC000180691502 821397401 /nfs/dbraw/zinc/39/74/01/821397401.db2.gz SPQAQSXAUBBYAH-GZMMTYOYSA-N 1 1 395.244 4.309 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)Cc3ccc(OC)c(OC)c3)c2C1 ZINC000180694059 821398691 /nfs/dbraw/zinc/39/86/91/821398691.db2.gz QMZLNXOORJPULM-MRXNPFEDSA-N 1 1 382.504 4.247 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)Cc3ccc(OC)c(OC)c3)c2C1 ZINC000180694059 821398697 /nfs/dbraw/zinc/39/86/97/821398697.db2.gz QMZLNXOORJPULM-MRXNPFEDSA-N 1 1 382.504 4.247 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000043388835 821400367 /nfs/dbraw/zinc/40/03/67/821400367.db2.gz IGZYHXSTOIJVKZ-UHFFFAOYSA-N 1 1 394.991 4.004 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000180702749 821404339 /nfs/dbraw/zinc/40/43/39/821404339.db2.gz BDFIXWHMUVRDBS-KBXCAEBGSA-N 1 1 383.458 4.140 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Br)cc1Cl)c1ccco1 ZINC000043420518 821406548 /nfs/dbraw/zinc/40/65/48/821406548.db2.gz AJVWJFQSOGOTQG-ZDUSSCGKSA-N 1 1 386.677 4.120 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180716665 821414958 /nfs/dbraw/zinc/41/49/58/821414958.db2.gz PIOFPFAYVXPLST-DOPJRALCSA-N 1 1 383.458 4.138 20 0 GIADMO COc1cc(C)ccc1C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180760923 821439488 /nfs/dbraw/zinc/43/94/88/821439488.db2.gz RYOSCPYLNKYTGR-QHCPKHFHSA-N 1 1 395.524 4.286 20 0 GIADMO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000043771613 821455860 /nfs/dbraw/zinc/45/58/60/821455860.db2.gz AUVJZJLKTIFYFC-LSDHHAIUSA-N 1 1 392.952 4.040 20 0 GIADMO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000043771613 821455865 /nfs/dbraw/zinc/45/58/65/821455865.db2.gz AUVJZJLKTIFYFC-LSDHHAIUSA-N 1 1 392.952 4.040 20 0 GIADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(SC)cc1 ZINC000180785610 821456429 /nfs/dbraw/zinc/45/64/29/821456429.db2.gz IXLBJNQUCKUHBB-UHFFFAOYSA-N 1 1 381.501 4.061 20 0 GIADMO COc1ccc(C[N@@H+]2CCc3c(cccc3OC)C2)cc1OCc1cccnc1 ZINC000180785567 821456465 /nfs/dbraw/zinc/45/64/65/821456465.db2.gz GGGVOCHIBHNXDO-UHFFFAOYSA-N 1 1 390.483 4.236 20 0 GIADMO COc1ccc(C[N@H+]2CCc3c(cccc3OC)C2)cc1OCc1cccnc1 ZINC000180785567 821456472 /nfs/dbraw/zinc/45/64/72/821456472.db2.gz GGGVOCHIBHNXDO-UHFFFAOYSA-N 1 1 390.483 4.236 20 0 GIADMO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc(Cl)sc1Cl ZINC000180787523 821457814 /nfs/dbraw/zinc/45/78/14/821457814.db2.gz OSAGTKMMRHQLDO-MRVPVSSYSA-N 1 1 379.259 4.414 20 0 GIADMO CCOc1cc(C[N@@H+](C)CCC(=O)Nc2ccccc2F)ccc1OC(F)F ZINC000043784799 821458773 /nfs/dbraw/zinc/45/87/73/821458773.db2.gz CZIQHIFUPBHHCN-UHFFFAOYSA-N 1 1 396.409 4.286 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)n1 ZINC000180803628 821467584 /nfs/dbraw/zinc/46/75/84/821467584.db2.gz BSRDYDFMLGZHOV-CYBMUJFWSA-N 1 1 395.454 4.326 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)n1 ZINC000180803628 821467588 /nfs/dbraw/zinc/46/75/88/821467588.db2.gz BSRDYDFMLGZHOV-CYBMUJFWSA-N 1 1 395.454 4.326 20 0 GIADMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000180807813 821470268 /nfs/dbraw/zinc/47/02/68/821470268.db2.gz FORDTLGRILNJKL-IBGZPJMESA-N 1 1 382.504 4.216 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)cs2)c1 ZINC000180862924 821500413 /nfs/dbraw/zinc/50/04/13/821500413.db2.gz QCOVLOIVDXFVPJ-MRXNPFEDSA-N 1 1 395.532 4.125 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)cs2)c1 ZINC000180862924 821500419 /nfs/dbraw/zinc/50/04/19/821500419.db2.gz QCOVLOIVDXFVPJ-MRXNPFEDSA-N 1 1 395.532 4.125 20 0 GIADMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000180868134 821503769 /nfs/dbraw/zinc/50/37/69/821503769.db2.gz LIIDZJZTJCDRLX-CRAIPNDOSA-N 1 1 390.321 4.231 20 0 GIADMO Cc1c(Br)cccc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000180875707 821507336 /nfs/dbraw/zinc/50/73/36/821507336.db2.gz OJSYLFMIBCAILF-OAHLLOKOSA-N 1 1 375.314 4.064 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000044102540 821523311 /nfs/dbraw/zinc/52/33/11/821523311.db2.gz MFQPYFSKWZLHSF-IBGZPJMESA-N 1 1 397.548 4.101 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc(OCC(F)(F)F)cc1 ZINC000180943339 821549543 /nfs/dbraw/zinc/54/95/43/821549543.db2.gz ZXRGSKOOEDAEOJ-CQSZACIVSA-N 1 1 390.409 4.274 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000180963728 821559238 /nfs/dbraw/zinc/55/92/38/821559238.db2.gz UUPHUNJOUHGCDS-UHFFFAOYSA-N 1 1 377.448 4.079 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180973937 821566771 /nfs/dbraw/zinc/56/67/71/821566771.db2.gz GWFPNIAXTHYQFI-AWEZNQCLSA-N 1 1 377.481 4.011 20 0 GIADMO CC(C)c1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)nn1C(C)(C)C ZINC000044310807 821567704 /nfs/dbraw/zinc/56/77/04/821567704.db2.gz NVSKNYKQDKIXSQ-IBGZPJMESA-N 1 1 386.540 4.312 20 0 GIADMO C[C@@H](CCO)[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000180985458 821575284 /nfs/dbraw/zinc/57/52/84/821575284.db2.gz UAYXJRHOFQMGJK-AWEZNQCLSA-N 1 1 381.303 4.205 20 0 GIADMO C[C@@H](CCO)[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000180985458 821575286 /nfs/dbraw/zinc/57/52/86/821575286.db2.gz UAYXJRHOFQMGJK-AWEZNQCLSA-N 1 1 381.303 4.205 20 0 GIADMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000180992016 821579677 /nfs/dbraw/zinc/57/96/77/821579677.db2.gz BGTMVLWXYOVYCU-GJZGRUSLSA-N 1 1 380.492 4.435 20 0 GIADMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000180991999 821579862 /nfs/dbraw/zinc/57/98/62/821579862.db2.gz BGTMVLWXYOVYCU-LSDHHAIUSA-N 1 1 380.492 4.435 20 0 GIADMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180992995 821580280 /nfs/dbraw/zinc/58/02/80/821580280.db2.gz VJIYBNJXHDLDRU-KGLIPLIRSA-N 1 1 389.496 4.011 20 0 GIADMO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-c2ccccc2)o1 ZINC000180995628 821582428 /nfs/dbraw/zinc/58/24/28/821582428.db2.gz YGOJFJSZJDCOQC-SFHVURJKSA-N 1 1 391.515 4.089 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180996795 821582878 /nfs/dbraw/zinc/58/28/78/821582878.db2.gz SYLNNBOLDHNMKE-LJQANCHMSA-N 1 1 375.516 4.224 20 0 GIADMO CC(C)(CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000044487256 821592473 /nfs/dbraw/zinc/59/24/73/821592473.db2.gz OPMFFPGXSBSNLO-AEFFLSMTSA-N 1 1 382.470 4.308 20 0 GIADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C(c2cccs2)c2cccs2)c1 ZINC000181050656 821611182 /nfs/dbraw/zinc/61/11/82/821611182.db2.gz KRIYLIQDMNIDIF-ZDUSSCGKSA-N 1 1 392.571 4.158 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CCCn1ccnc1 ZINC000181114325 821640462 /nfs/dbraw/zinc/64/04/62/821640462.db2.gz YTFIMVUMTBXUNC-SFHVURJKSA-N 1 1 378.476 4.025 20 0 GIADMO C[C@H](N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686284 821644619 /nfs/dbraw/zinc/64/46/19/821644619.db2.gz VRQWCKPDNBRCNY-JQWIXIFHSA-N 1 1 388.147 4.099 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686284 821644623 /nfs/dbraw/zinc/64/46/23/821644623.db2.gz VRQWCKPDNBRCNY-JQWIXIFHSA-N 1 1 388.147 4.099 20 0 GIADMO COc1ccc2[nH]cc(C3CC[NH+](Cc4nnc(C5CC5)n4C4CC4)CC3)c2c1 ZINC000181141112 821659582 /nfs/dbraw/zinc/65/95/82/821659582.db2.gz RYEAJSWSBBYYGQ-UHFFFAOYSA-N 1 1 391.519 4.360 20 0 GIADMO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000181147789 821663613 /nfs/dbraw/zinc/66/36/13/821663613.db2.gz QTPGUCYWABRKAB-NZQKXSOJSA-N 1 1 380.532 4.169 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181147873 821664039 /nfs/dbraw/zinc/66/40/39/821664039.db2.gz XTGLFLQVSHYMMR-HXUWFJFHSA-N 1 1 382.552 4.147 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)N3CCCC3)cc2)cc1OC ZINC000045004661 821689168 /nfs/dbraw/zinc/68/91/68/821689168.db2.gz ALNGGZGIYMAOME-NRFANRHFSA-N 1 1 394.515 4.277 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(SC)c2)cc1OC ZINC000045004458 821689210 /nfs/dbraw/zinc/68/92/10/821689210.db2.gz YEXALSLBOXVUIO-SFHVURJKSA-N 1 1 386.517 4.201 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(SC)c2)cc1OC ZINC000045004458 821689212 /nfs/dbraw/zinc/68/92/12/821689212.db2.gz YEXALSLBOXVUIO-SFHVURJKSA-N 1 1 386.517 4.201 20 0 GIADMO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000181247809 821717542 /nfs/dbraw/zinc/71/75/42/821717542.db2.gz BLTCZNPGWCIXAS-ZHRRBRCNSA-N 1 1 382.298 4.103 20 0 GIADMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Br)c1OC)CCO2 ZINC000181262236 821723663 /nfs/dbraw/zinc/72/36/63/821723663.db2.gz YFCZPOKDJGTBLO-QGZVFWFLSA-N 1 1 392.293 4.470 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccc(N2CCOC2=O)cc1 ZINC000181284690 821735046 /nfs/dbraw/zinc/73/50/46/821735046.db2.gz MJZPFESZIDVGEM-ZDUSSCGKSA-N 1 1 399.397 4.427 20 0 GIADMO CCCCc1noc([C@H](C)[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181300177 821743176 /nfs/dbraw/zinc/74/31/76/821743176.db2.gz RYWFNYWMHYZWFM-RDJZCZTQSA-N 1 1 380.496 4.138 20 0 GIADMO CCCCc1noc([C@H](C)[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181300177 821743182 /nfs/dbraw/zinc/74/31/82/821743182.db2.gz RYWFNYWMHYZWFM-RDJZCZTQSA-N 1 1 380.496 4.138 20 0 GIADMO CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cs1 ZINC000181301670 821744128 /nfs/dbraw/zinc/74/41/28/821744128.db2.gz DVKDTCWVFSFDAQ-WBVHZDCISA-N 1 1 397.548 4.405 20 0 GIADMO CCO[C@H](C)c1nc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cs1 ZINC000181301670 821744131 /nfs/dbraw/zinc/74/41/31/821744131.db2.gz DVKDTCWVFSFDAQ-WBVHZDCISA-N 1 1 397.548 4.405 20 0 GIADMO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181316898 821754606 /nfs/dbraw/zinc/75/46/06/821754606.db2.gz ARLNMAZJAFQYGP-UHFFFAOYSA-N 1 1 394.498 4.084 20 0 GIADMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181316898 821754613 /nfs/dbraw/zinc/75/46/13/821754613.db2.gz ARLNMAZJAFQYGP-UHFFFAOYSA-N 1 1 394.498 4.084 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000181349424 821779087 /nfs/dbraw/zinc/77/90/87/821779087.db2.gz XWEOXKYKMROQIB-UHFFFAOYSA-N 1 1 397.361 4.128 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]c2=S)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181369335 821791740 /nfs/dbraw/zinc/79/17/40/821791740.db2.gz COGCVJOXJZJCAY-IRXDYDNUSA-N 1 1 393.915 4.117 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc[nH]c2=S)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181369335 821791742 /nfs/dbraw/zinc/79/17/42/821791742.db2.gz COGCVJOXJZJCAY-IRXDYDNUSA-N 1 1 393.915 4.117 20 0 GIADMO COCCc1nc(C)c([C@H](C)NC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000181383529 821798113 /nfs/dbraw/zinc/79/81/13/821798113.db2.gz OHEZOQOQVUFMOH-KRWDZBQOSA-N 1 1 387.593 4.264 20 0 GIADMO COc1ccccc1[C@@H]([NH2+][C@@H](C)CC(=O)N(C)c1ccccc1)c1ccco1 ZINC000181429927 821822838 /nfs/dbraw/zinc/82/28/38/821822838.db2.gz JMFSKZFUPVKKRX-GAJHUEQPSA-N 1 1 378.472 4.409 20 0 GIADMO Brc1ccc(C2([NH2+]Cc3nnc(C4CC4)n3C3CC3)CCC2)cc1 ZINC000181444973 821829121 /nfs/dbraw/zinc/82/91/21/821829121.db2.gz LXIIYLKKKPCJAD-UHFFFAOYSA-N 1 1 387.325 4.422 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c(Br)c1 ZINC000181453184 821832248 /nfs/dbraw/zinc/83/22/48/821832248.db2.gz IOKGGPMUNCTDIW-CQSZACIVSA-N 1 1 386.293 4.494 20 0 GIADMO C[C@H](NC(=O)CCCOc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181453760 821832601 /nfs/dbraw/zinc/83/26/01/821832601.db2.gz YSPMLYSHNNVNKM-IRXDYDNUSA-N 1 1 378.944 4.268 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000181454241 821833072 /nfs/dbraw/zinc/83/30/72/821833072.db2.gz IEZHXIBIXDUEEO-ZDUSSCGKSA-N 1 1 392.908 4.187 20 0 GIADMO CCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OCC ZINC000181483249 821846516 /nfs/dbraw/zinc/84/65/16/821846516.db2.gz PLFYYHAOIFNFLF-IEBWSBKVSA-N 1 1 388.552 4.257 20 0 GIADMO C[C@H]1CC(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@H](C)O1 ZINC000181492647 821851274 /nfs/dbraw/zinc/85/12/74/821851274.db2.gz ISVRLGJRPISJDV-KBPBESRZSA-N 1 1 399.362 4.278 20 0 GIADMO C[C@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181492957 821851865 /nfs/dbraw/zinc/85/18/65/821851865.db2.gz XMXORFXYLSCTFR-KBPBESRZSA-N 1 1 391.462 4.152 20 0 GIADMO O=C(CCc1ccccn1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181496471 821853070 /nfs/dbraw/zinc/85/30/70/821853070.db2.gz BWFCDJXAHZXQBB-UHFFFAOYSA-N 1 1 392.330 4.102 20 0 GIADMO O=C(/C=C/c1cccnc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181498082 821855083 /nfs/dbraw/zinc/85/50/83/821855083.db2.gz KNBZFPMCGVBUNG-ONEGZZNKSA-N 1 1 390.314 4.182 20 0 GIADMO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)cc1 ZINC000181506096 821857764 /nfs/dbraw/zinc/85/77/64/821857764.db2.gz APGCWWMFAPHGHU-ZDUSSCGKSA-N 1 1 391.309 4.058 20 0 GIADMO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@H](C)[C@H](C)c3ccccc3)s2)cc1 ZINC000181522937 821865980 /nfs/dbraw/zinc/86/59/80/821865980.db2.gz CQQAZGKCWMQGBI-DLBZAZTESA-N 1 1 394.544 4.058 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(C)cc(Br)c3o2)[C@H](C)C1 ZINC000181537837 821872465 /nfs/dbraw/zinc/87/24/65/821872465.db2.gz NSOOEXQFGIGESN-CZUORRHYSA-N 1 1 393.325 4.306 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000181538133 821872672 /nfs/dbraw/zinc/87/26/72/821872672.db2.gz RFLBQVFWZKLEFP-WBMJQRKESA-N 1 1 395.425 4.224 20 0 GIADMO C[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1ncc(Br)s1 ZINC000181540106 821873620 /nfs/dbraw/zinc/87/36/20/821873620.db2.gz YWBLPZUGRMUDKF-QMMMGPOBSA-N 1 1 396.232 4.049 20 0 GIADMO C[C@H](NC(=O)c1cccc(Br)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181540349 821873720 /nfs/dbraw/zinc/87/37/20/821873720.db2.gz WDGPUEOXOOOACC-STQMWFEESA-N 1 1 399.760 4.485 20 0 GIADMO Cc1cc(Br)ccc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181540093 821873812 /nfs/dbraw/zinc/87/38/12/821873812.db2.gz PSGDHNQRXMDFHU-RDJZCZTQSA-N 1 1 393.369 4.069 20 0 GIADMO Cc1cc(C(=O)CCC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000181543392 821874524 /nfs/dbraw/zinc/87/45/24/821874524.db2.gz RCVCYIVFTLEJEH-DOTOQJQBSA-N 1 1 376.566 4.097 20 0 GIADMO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c2c(n1)onc2C(C)C ZINC000181545362 821875246 /nfs/dbraw/zinc/87/52/46/821875246.db2.gz YMFIVXCPUQUSRY-CVEARBPZSA-N 1 1 384.524 4.037 20 0 GIADMO COc1cc(Br)ccc1CCC[N@H+](C)Cc1nccn1C(F)F ZINC000181546235 821875322 /nfs/dbraw/zinc/87/53/22/821875322.db2.gz BDQJWBXGJTTZTI-UHFFFAOYSA-N 1 1 388.256 4.114 20 0 GIADMO COc1cc(Br)ccc1CCC[N@@H+](C)Cc1nccn1C(F)F ZINC000181546235 821875332 /nfs/dbraw/zinc/87/53/32/821875332.db2.gz BDQJWBXGJTTZTI-UHFFFAOYSA-N 1 1 388.256 4.114 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000181562773 821881939 /nfs/dbraw/zinc/88/19/39/821881939.db2.gz CKTBXIFRDLGQHC-RWMBFGLXSA-N 1 1 383.517 4.227 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1ccc(F)cc1F ZINC000181578776 821886828 /nfs/dbraw/zinc/88/68/28/821886828.db2.gz BSZJPZVKCMIJCO-OLZOCXBDSA-N 1 1 389.471 4.272 20 0 GIADMO Cc1csc(Sc2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2Cl)n1 ZINC000181583680 821889747 /nfs/dbraw/zinc/88/97/47/821889747.db2.gz WFIIYPJYTBNBAX-UHFFFAOYSA-N 1 1 396.969 4.426 20 0 GIADMO O=c1cc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)nc2sccn21 ZINC000181586152 821891399 /nfs/dbraw/zinc/89/13/99/821891399.db2.gz HBLMPHBPWKUNNA-LJQANCHMSA-N 1 1 397.450 4.108 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[NH2+][C@H](c2nc(C)cs2)C2CC2)C(C)C)cc1 ZINC000181592913 821894788 /nfs/dbraw/zinc/89/47/88/821894788.db2.gz OOXSRLNYJMWZTM-PMACEKPBSA-N 1 1 387.549 4.014 20 0 GIADMO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)c1 ZINC000181600276 821897587 /nfs/dbraw/zinc/89/75/87/821897587.db2.gz DMFYXBOEHSMBKT-ZDUSSCGKSA-N 1 1 391.309 4.058 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C2CC2)n1 ZINC000181601775 821897862 /nfs/dbraw/zinc/89/78/62/821897862.db2.gz OZOJGUMVPYEGSC-IAQYHMDHSA-N 1 1 381.448 4.121 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000181614186 821904475 /nfs/dbraw/zinc/90/44/75/821904475.db2.gz CLZLZXYCXMDHHI-HXUWFJFHSA-N 1 1 381.520 4.007 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2Br)C2CC2)n1 ZINC000181620220 821906957 /nfs/dbraw/zinc/90/69/57/821906957.db2.gz LDZHUVAYSBZPHS-INIZCTEOSA-N 1 1 394.338 4.202 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C2CC2)n1 ZINC000181627666 821911347 /nfs/dbraw/zinc/91/13/47/821911347.db2.gz MHBZOJJXFHCIIJ-QVKFZJNVSA-N 1 1 383.561 4.248 20 0 GIADMO C[C@@H](NC(=O)c1ccc(OCc2ccccc2)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181659173 821927594 /nfs/dbraw/zinc/92/75/94/821927594.db2.gz GQEPEWIEFLZLTE-WIYYLYMNSA-N 1 1 393.531 4.043 20 0 GIADMO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1nc(C2CCCC2)no1 ZINC000181661450 821929107 /nfs/dbraw/zinc/92/91/07/821929107.db2.gz OVTOQHHACSQTFZ-UHFFFAOYSA-N 1 1 384.402 4.088 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1cccc2ccccc21 ZINC000181667507 821934076 /nfs/dbraw/zinc/93/40/76/821934076.db2.gz LIYVLKCMBUOQMC-INIZCTEOSA-N 1 1 384.501 4.068 20 0 GIADMO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)c(OC)c1)c1ccc(F)cc1F ZINC000181678356 821939811 /nfs/dbraw/zinc/93/98/11/821939811.db2.gz WGCHTOWCRZKYIB-QGZVFWFLSA-N 1 1 378.419 4.052 20 0 GIADMO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1NC(=O)CC(C)C ZINC000181683255 821942411 /nfs/dbraw/zinc/94/24/11/821942411.db2.gz GBYHGXJLLSTNEW-UYAOXDASSA-N 1 1 399.579 4.362 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1cccc(OCc2ccccn2)c1 ZINC000181710512 821954340 /nfs/dbraw/zinc/95/43/40/821954340.db2.gz WLUHFFDJZANBTA-INIZCTEOSA-N 1 1 389.503 4.315 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000181714634 821957127 /nfs/dbraw/zinc/95/71/27/821957127.db2.gz XLJBFCLWQIVOPP-GFCCVEGCSA-N 1 1 380.414 4.282 20 0 GIADMO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2nnc(C3CCC3)n2C)cc1 ZINC000181715233 821957864 /nfs/dbraw/zinc/95/78/64/821957864.db2.gz LHCNHIDXNKTJMM-OAQYLSRUSA-N 1 1 394.494 4.304 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181720596 821960916 /nfs/dbraw/zinc/96/09/16/821960916.db2.gz VOLOORTVNHOZQZ-DIFFPNOSSA-N 1 1 387.332 4.443 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181723383 821961290 /nfs/dbraw/zinc/96/12/90/821961290.db2.gz KETCDIOOGCJTAL-GTNSWQLSSA-N 1 1 387.332 4.443 20 0 GIADMO CCC[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000181754149 821977812 /nfs/dbraw/zinc/97/78/12/821977812.db2.gz BYXXXQOUFSDKLH-GOSISDBHSA-N 1 1 387.568 4.010 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccccn1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000181778039 821988148 /nfs/dbraw/zinc/98/81/48/821988148.db2.gz AFPBLTTYPYIOAW-HOTGVXAUSA-N 1 1 381.476 4.191 20 0 GIADMO C[C@@H]([NH2+]CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccn1 ZINC000181785645 821991353 /nfs/dbraw/zinc/99/13/53/821991353.db2.gz MLYSYPRDGVSEGO-NQIIRXRSSA-N 1 1 398.510 4.162 20 0 GIADMO CS(=O)(=O)C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000181798327 821996926 /nfs/dbraw/zinc/99/69/26/821996926.db2.gz FVZKWXUVDPFIJN-QHCPKHFHSA-N 1 1 395.524 4.141 20 0 GIADMO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)o1 ZINC000181871257 822022036 /nfs/dbraw/zinc/02/20/36/822022036.db2.gz GFJISGHHLNTRHW-INIZCTEOSA-N 1 1 378.476 4.196 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000181883438 822025597 /nfs/dbraw/zinc/02/55/97/822025597.db2.gz HBSWCYMCRWJCBF-KBPBESRZSA-N 1 1 394.866 4.383 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914711 822035529 /nfs/dbraw/zinc/03/55/29/822035529.db2.gz QEXKTRLQHIXXRI-CTNGQTDRSA-N 1 1 390.886 4.067 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2cccc(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914711 822035539 /nfs/dbraw/zinc/03/55/39/822035539.db2.gz QEXKTRLQHIXXRI-CTNGQTDRSA-N 1 1 390.886 4.067 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1cccc(F)c1F ZINC000181961266 822046778 /nfs/dbraw/zinc/04/67/78/822046778.db2.gz AQAYDJPQAPTUBJ-OLZOCXBDSA-N 1 1 389.471 4.272 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c[nH]c2cc(F)ccc12 ZINC000181966464 822047987 /nfs/dbraw/zinc/04/79/87/822047987.db2.gz HJOWQTGMRPAIOM-YQQQUEKLSA-N 1 1 377.463 4.232 20 0 GIADMO CCN(C(=O)C[NH2+][C@H](C)c1cccc(F)c1F)c1nc2ccccc2s1 ZINC000181981966 822052350 /nfs/dbraw/zinc/05/23/50/822052350.db2.gz YQIMNHNZMRXHNW-GFCCVEGCSA-N 1 1 375.444 4.278 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1cccc(F)c1F ZINC000181983995 822053101 /nfs/dbraw/zinc/05/31/01/822053101.db2.gz PPKXEIRRXWNLTN-NSHDSACASA-N 1 1 396.821 4.069 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1F ZINC000182010915 822061546 /nfs/dbraw/zinc/06/15/46/822061546.db2.gz TYHPSOOFHQZAJY-AWEZNQCLSA-N 1 1 383.442 4.499 20 0 GIADMO C[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182012624 822062435 /nfs/dbraw/zinc/06/24/35/822062435.db2.gz QPGZWPYUOMEKAL-INIZCTEOSA-N 1 1 375.501 4.165 20 0 GIADMO C[C@@H](CNC(=O)CC1CCC(C(F)(F)F)CC1)[N@@H+]1CCc2sccc2C1 ZINC000182018314 822064123 /nfs/dbraw/zinc/06/41/23/822064123.db2.gz LVGCTONZCMDYDJ-HLIUYOAVSA-N 1 1 388.499 4.370 20 0 GIADMO C[C@@H](CNC(=O)CC1CCC(C(F)(F)F)CC1)[N@H+]1CCc2sccc2C1 ZINC000182018314 822064127 /nfs/dbraw/zinc/06/41/27/822064127.db2.gz LVGCTONZCMDYDJ-HLIUYOAVSA-N 1 1 388.499 4.370 20 0 GIADMO CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1F ZINC000182063578 822078784 /nfs/dbraw/zinc/07/87/84/822078784.db2.gz SPJGOQAUQKMNPS-QGZVFWFLSA-N 1 1 399.510 4.061 20 0 GIADMO CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1OC ZINC000182064332 822079100 /nfs/dbraw/zinc/07/91/00/822079100.db2.gz WWBVVXIVWLCRCM-ZDUSSCGKSA-N 1 1 379.298 4.444 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000182069882 822081052 /nfs/dbraw/zinc/08/10/52/822081052.db2.gz NAOBHQOKDMTEJY-QGZVFWFLSA-N 1 1 395.478 4.050 20 0 GIADMO COc1ccc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1-c1ccccn1 ZINC000182089657 822089330 /nfs/dbraw/zinc/08/93/30/822089330.db2.gz BMWYJJAFMYUHEM-GOSISDBHSA-N 1 1 389.499 4.008 20 0 GIADMO CC(=O)Nc1ccc([C@@H](C)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182090041 822089391 /nfs/dbraw/zinc/08/93/91/822089391.db2.gz OVKRROLSOVDGPP-RTBURBONSA-N 1 1 395.547 4.196 20 0 GIADMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C(=O)OC)ccc2F)cc1OCC ZINC000182104267 822095280 /nfs/dbraw/zinc/09/52/80/822095280.db2.gz CCZFPDNLYDKOMC-AWEZNQCLSA-N 1 1 375.440 4.261 20 0 GIADMO C[N@@H+](CCCO)C1CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000182192527 822140087 /nfs/dbraw/zinc/14/00/87/822140087.db2.gz LKZQEWNEXSOOIX-UHFFFAOYSA-N 1 1 396.453 4.244 20 0 GIADMO COCc1noc(C[N@H+](Cc2c(OC)ccc3ccccc32)C2CCCC2)n1 ZINC000182216104 822151321 /nfs/dbraw/zinc/15/13/21/822151321.db2.gz WVBMDFFFEVMLPV-UHFFFAOYSA-N 1 1 381.476 4.323 20 0 GIADMO COCc1noc(C[N@@H+](Cc2c(OC)ccc3ccccc32)C2CCCC2)n1 ZINC000182216104 822151327 /nfs/dbraw/zinc/15/13/27/822151327.db2.gz WVBMDFFFEVMLPV-UHFFFAOYSA-N 1 1 381.476 4.323 20 0 GIADMO Cc1nc([C@H](N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c2ccccc2F)no1 ZINC000182246691 822166084 /nfs/dbraw/zinc/16/60/84/822166084.db2.gz UZZDBBGNYFPPCD-UQASEVPWSA-N 1 1 380.467 4.032 20 0 GIADMO CCOc1ccc(Cl)cc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182266172 822177988 /nfs/dbraw/zinc/17/79/88/822177988.db2.gz JZZUFIPHWJMFEA-JXFKEZNVSA-N 1 1 388.939 4.156 20 0 GIADMO CCOc1ccc(Cl)cc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182266172 822177991 /nfs/dbraw/zinc/17/79/91/822177991.db2.gz JZZUFIPHWJMFEA-JXFKEZNVSA-N 1 1 388.939 4.156 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)[C@H]1CCCO1 ZINC000182344359 822209054 /nfs/dbraw/zinc/20/90/54/822209054.db2.gz OYDSISBGQGFAPZ-AZUAARDMSA-N 1 1 387.549 4.492 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182391560 822226545 /nfs/dbraw/zinc/22/65/45/822226545.db2.gz VEBKUUKNZKIDKI-MJGOQNOKSA-N 1 1 395.547 4.301 20 0 GIADMO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1c(C)noc1C ZINC000182421596 822236777 /nfs/dbraw/zinc/23/67/77/822236777.db2.gz FTSIQRLQWQHGCO-GOSISDBHSA-N 1 1 378.538 4.104 20 0 GIADMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000182434695 822241694 /nfs/dbraw/zinc/24/16/94/822241694.db2.gz MTKHRKFFSNXAEZ-LLVKDONJSA-N 1 1 393.274 4.139 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182450905 822246979 /nfs/dbraw/zinc/24/69/79/822246979.db2.gz QVIMOAFTYDODNG-UHFFFAOYSA-N 1 1 397.361 4.128 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)c1c(C)noc1C ZINC000182452056 822247258 /nfs/dbraw/zinc/24/72/58/822247258.db2.gz LLSPGTJNQPTQGB-OAQYLSRUSA-N 1 1 395.503 4.153 20 0 GIADMO CC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000182486527 822262115 /nfs/dbraw/zinc/26/21/15/822262115.db2.gz JPDVDSDWDQVZQT-GFCCVEGCSA-N 1 1 391.924 4.172 20 0 GIADMO CC(=O)c1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1Cl ZINC000182486527 822262124 /nfs/dbraw/zinc/26/21/24/822262124.db2.gz JPDVDSDWDQVZQT-GFCCVEGCSA-N 1 1 391.924 4.172 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)c1c(C)noc1C ZINC000182511897 822275687 /nfs/dbraw/zinc/27/56/87/822275687.db2.gz LTXDZTBJXNKYSV-OAHLLOKOSA-N 1 1 380.286 4.042 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000177997397 822275955 /nfs/dbraw/zinc/27/59/55/822275955.db2.gz PSSXXMOOYVVQGG-GMAHTHKFSA-N 1 1 376.500 4.396 20 0 GIADMO CCCOc1ccc(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1OCCC ZINC000178002911 822278052 /nfs/dbraw/zinc/27/80/52/822278052.db2.gz RLRIBNTXDKFWDH-QGZVFWFLSA-N 1 1 377.529 4.070 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000182519135 822279665 /nfs/dbraw/zinc/27/96/65/822279665.db2.gz ZQCLGWJCYOSOLQ-AUUYWEPGSA-N 1 1 375.900 4.023 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000178010245 822280830 /nfs/dbraw/zinc/28/08/30/822280830.db2.gz HABZYUWIOLKKPO-GOSISDBHSA-N 1 1 385.483 4.210 20 0 GIADMO CCc1nn(C)c(CC)c1C[NH2+]C(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000182527409 822284516 /nfs/dbraw/zinc/28/45/16/822284516.db2.gz ZJVINTLUGYZSTG-UHFFFAOYSA-N 1 1 393.531 4.441 20 0 GIADMO COC[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000182532223 822286326 /nfs/dbraw/zinc/28/63/26/822286326.db2.gz WJKMHXMAQNHCMX-MRXNPFEDSA-N 1 1 375.337 4.383 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)C1 ZINC000178023743 822287637 /nfs/dbraw/zinc/28/76/37/822287637.db2.gz NFGQEZKLRGVOJI-HNNXBMFYSA-N 1 1 388.899 4.333 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)C1 ZINC000178035165 822292238 /nfs/dbraw/zinc/29/22/38/822292238.db2.gz GHRHFXIKFQFTAD-FQEVSTJZSA-N 1 1 381.520 4.380 20 0 GIADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)OC)c(F)c2)C1 ZINC000182560052 822302489 /nfs/dbraw/zinc/30/24/89/822302489.db2.gz AAZWQGSVHUJLJO-AWEZNQCLSA-N 1 1 394.491 4.026 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1)c1ccccc1 ZINC000178059115 822304416 /nfs/dbraw/zinc/30/44/16/822304416.db2.gz SHGQKRFDWMPHMY-MRXNPFEDSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1)c1ccccc1 ZINC000178059115 822304423 /nfs/dbraw/zinc/30/44/23/822304423.db2.gz SHGQKRFDWMPHMY-MRXNPFEDSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2sccc2Br)C1)c1ccccc1 ZINC000178062583 822305625 /nfs/dbraw/zinc/30/56/25/822305625.db2.gz KSJXGSLVJPRUMX-CQSZACIVSA-N 1 1 393.350 4.153 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2sccc2Br)C1)c1ccccc1 ZINC000178062583 822305629 /nfs/dbraw/zinc/30/56/29/822305629.db2.gz KSJXGSLVJPRUMX-CQSZACIVSA-N 1 1 393.350 4.153 20 0 GIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cnn(CCC(F)(F)F)c3)c2C1 ZINC000182595300 822316297 /nfs/dbraw/zinc/31/62/97/822316297.db2.gz JKZUHMIVUIPAFA-UHFFFAOYSA-N 1 1 394.441 4.450 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3nccn3C)c(C(F)(F)F)c2)n1 ZINC000182609071 822320585 /nfs/dbraw/zinc/32/05/85/822320585.db2.gz WUECPXSWLXYUJA-AWEZNQCLSA-N 1 1 377.414 4.092 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(N3CCOCC3)cc2C)cc1 ZINC000182616335 822324196 /nfs/dbraw/zinc/32/41/96/822324196.db2.gz PPDMFGYTWRVFJS-GOSISDBHSA-N 1 1 376.504 4.499 20 0 GIADMO C[C@@H](NC(=O)NCc1csc(-c2ccccc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182643011 822335424 /nfs/dbraw/zinc/33/54/24/822335424.db2.gz SZSWTHYXNIURIG-AEFFLSMTSA-N 1 1 398.576 4.262 20 0 GIADMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCC(=O)c3ccccc3)C2)cc1 ZINC000182642545 822335608 /nfs/dbraw/zinc/33/56/08/822335608.db2.gz QTLQURSVAPJIDO-LJQANCHMSA-N 1 1 379.504 4.102 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1OC1CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182646913 822337619 /nfs/dbraw/zinc/33/76/19/822337619.db2.gz YZCOSCMORUZFBP-MJGOQNOKSA-N 1 1 385.552 4.070 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccccc1Br)c1cc(F)ccc1F ZINC000178167831 822339204 /nfs/dbraw/zinc/33/92/04/822339204.db2.gz BYNURLMCWHSBBX-HNNXBMFYSA-N 1 1 383.236 4.407 20 0 GIADMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000178175951 822342487 /nfs/dbraw/zinc/34/24/87/822342487.db2.gz VFSWNGFMBNHGLE-NZQKXSOJSA-N 1 1 377.532 4.074 20 0 GIADMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000182675008 822347710 /nfs/dbraw/zinc/34/77/10/822347710.db2.gz QAUOSNMRGJZKFU-UHFFFAOYSA-N 1 1 379.287 4.389 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2C)[NH2+][C@@H](C)c2nccn2C)cc1OC ZINC000182676257 822347791 /nfs/dbraw/zinc/34/77/91/822347791.db2.gz KUILSTQVOPICGZ-FXAWDEMLSA-N 1 1 379.504 4.380 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2C)[NH2+][C@H](C)c2nccn2C)cc1OC ZINC000182676295 822348366 /nfs/dbraw/zinc/34/83/66/822348366.db2.gz KUILSTQVOPICGZ-YLJYHZDGSA-N 1 1 379.504 4.380 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000178219054 822355195 /nfs/dbraw/zinc/35/51/95/822355195.db2.gz BACLSTGYCWGABR-KRWDZBQOSA-N 1 1 397.523 4.245 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)CCc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000178239092 822357473 /nfs/dbraw/zinc/35/74/73/822357473.db2.gz VIYLAZDSENQHOD-IYBDPMFKSA-N 1 1 399.000 4.072 20 0 GIADMO CC(=O)N(Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1)C(C)C ZINC000178248270 822358338 /nfs/dbraw/zinc/35/83/38/822358338.db2.gz SYBJOWRJCBFMLY-HXUWFJFHSA-N 1 1 385.552 4.037 20 0 GIADMO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)c2ccco2)cc1 ZINC000453427037 822361593 /nfs/dbraw/zinc/36/15/93/822361593.db2.gz ZHPOZSMZHRYPBF-MZNJEOGPSA-N 1 1 392.499 4.407 20 0 GIADMO Cc1nc2ccccc2nc1CNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178297661 822364428 /nfs/dbraw/zinc/36/44/28/822364428.db2.gz OSRCUQTWCPYSMW-IAGOWNOFSA-N 1 1 376.504 4.160 20 0 GIADMO O=C(c1ccc(Br)c(Cl)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178307854 822365901 /nfs/dbraw/zinc/36/59/01/822365901.db2.gz XUDKSSLUAKQQEX-UHFFFAOYSA-N 1 1 385.733 4.193 20 0 GIADMO Cc1nc([C@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)oc1-c1ccc(Cl)cc1 ZINC000178315340 822366469 /nfs/dbraw/zinc/36/64/69/822366469.db2.gz PAGFOTCHUUAASL-HOCLYGCPSA-N 1 1 376.884 4.449 20 0 GIADMO CCC[C@@H]1CN(C(=O)Nc2ccc(NC(C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000182796077 822368731 /nfs/dbraw/zinc/36/87/31/822368731.db2.gz IUAARCLRVJENTQ-JOCHJYFZSA-N 1 1 394.519 4.163 20 0 GIADMO CCN(C(=O)Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC000182806211 822370769 /nfs/dbraw/zinc/37/07/69/822370769.db2.gz DFCALTWUYILRIV-JTHBVZDNSA-N 1 1 377.532 4.321 20 0 GIADMO CC[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@@H](C)c1cccc(O)c1 ZINC000178378090 822372950 /nfs/dbraw/zinc/37/29/50/822372950.db2.gz POVQJDULBLTEPE-HNNXBMFYSA-N 1 1 392.446 4.035 20 0 GIADMO CC[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@@H](C)c1cccc(O)c1 ZINC000178378090 822372955 /nfs/dbraw/zinc/37/29/55/822372955.db2.gz POVQJDULBLTEPE-HNNXBMFYSA-N 1 1 392.446 4.035 20 0 GIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000182827578 822374121 /nfs/dbraw/zinc/37/41/21/822374121.db2.gz USHPBZYPLIBLQD-UHFFFAOYSA-N 1 1 376.460 4.206 20 0 GIADMO COc1ccc(-c2noc(C[N@H+](CCCO)[C@@H]3CCCc4ccccc43)n2)cc1 ZINC000178396390 822375239 /nfs/dbraw/zinc/37/52/39/822375239.db2.gz DNKGGHATUYALTD-OAQYLSRUSA-N 1 1 393.487 4.007 20 0 GIADMO COc1ccc(-c2noc(C[N@@H+](CCCO)[C@@H]3CCCc4ccccc43)n2)cc1 ZINC000178396390 822375241 /nfs/dbraw/zinc/37/52/41/822375241.db2.gz DNKGGHATUYALTD-OAQYLSRUSA-N 1 1 393.487 4.007 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3c(F)cc(Cl)cc3F)CC2)[nH+]c1 ZINC000182839056 822376093 /nfs/dbraw/zinc/37/60/93/822376093.db2.gz YFWIVJWALJKTKZ-UHFFFAOYSA-N 1 1 380.826 4.112 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182842057 822376837 /nfs/dbraw/zinc/37/68/37/822376837.db2.gz DCKQIIMHPWYODD-MRXNPFEDSA-N 1 1 394.441 4.048 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182842057 822376840 /nfs/dbraw/zinc/37/68/40/822376840.db2.gz DCKQIIMHPWYODD-MRXNPFEDSA-N 1 1 394.441 4.048 20 0 GIADMO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178437006 822378817 /nfs/dbraw/zinc/37/88/17/822378817.db2.gz JLZDNWUMQVEBAD-MHZLTWQESA-N 1 1 380.513 4.030 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182857114 822379998 /nfs/dbraw/zinc/37/99/98/822379998.db2.gz BFHYUHSMKSTKSL-HIFRSBDPSA-N 1 1 391.397 4.350 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182857114 822380003 /nfs/dbraw/zinc/38/00/03/822380003.db2.gz BFHYUHSMKSTKSL-HIFRSBDPSA-N 1 1 391.397 4.350 20 0 GIADMO C[C@H]([NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178488889 822384644 /nfs/dbraw/zinc/38/46/44/822384644.db2.gz JVBIPDUCZIEVJM-PHPMUSLXSA-N 1 1 384.589 4.231 20 0 GIADMO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178488889 822384649 /nfs/dbraw/zinc/38/46/49/822384649.db2.gz JVBIPDUCZIEVJM-PHPMUSLXSA-N 1 1 384.589 4.231 20 0 GIADMO Cc1cc(Br)c(C[NH+]2CCC(N(C)c3ccc(C)nn3)CC2)s1 ZINC000453562357 822384974 /nfs/dbraw/zinc/38/49/74/822384974.db2.gz KLSNJSOGSUHTEW-UHFFFAOYSA-N 1 1 395.370 4.018 20 0 GIADMO Cc1cc(Br)c(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)s1 ZINC000453576247 822386793 /nfs/dbraw/zinc/38/67/93/822386793.db2.gz VIDWXDLTZBAJEQ-UHFFFAOYSA-N 1 1 382.327 4.459 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182892483 822387503 /nfs/dbraw/zinc/38/75/03/822387503.db2.gz QUHZWFTUDOFSBL-HZPDHXFCSA-N 1 1 388.512 4.030 20 0 GIADMO OC1CCN(CCC[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000178522786 822387689 /nfs/dbraw/zinc/38/76/89/822387689.db2.gz FWGBHJDLGCSWBS-QFIPXVFZSA-N 1 1 390.930 4.199 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178526213 822388087 /nfs/dbraw/zinc/38/80/87/822388087.db2.gz GJEVYUYOLZHUQT-VXGBXAGGSA-N 1 1 387.423 4.242 20 0 GIADMO C[C@@H](NC(=O)CSc1nccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898187 822388525 /nfs/dbraw/zinc/38/85/25/822388525.db2.gz LJWYSYYHRBPZHS-AEFFLSMTSA-N 1 1 383.561 4.096 20 0 GIADMO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000178533436 822388743 /nfs/dbraw/zinc/38/87/43/822388743.db2.gz QBJSRLJSMDSYLM-RBBKRZOGSA-N 1 1 378.520 4.217 20 0 GIADMO Cc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000453587733 822389167 /nfs/dbraw/zinc/38/91/67/822389167.db2.gz KWHIJZYXJSRCLV-NSHDSACASA-N 1 1 388.352 4.073 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182902493 822389459 /nfs/dbraw/zinc/38/94/59/822389459.db2.gz BTWAYDTZTWOMQC-RBUKOAKNSA-N 1 1 384.568 4.451 20 0 GIADMO COc1ccc([C@H](CN(C)C)[NH2+]Cc2sc(C)cc2Br)cc1 ZINC000453600617 822391289 /nfs/dbraw/zinc/39/12/89/822391289.db2.gz QMOCKZJPYIMBRV-INIZCTEOSA-N 1 1 383.355 4.220 20 0 GIADMO C[C@H](NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182912579 822391543 /nfs/dbraw/zinc/39/15/43/822391543.db2.gz MFFTXEUWZYWALU-HOTGVXAUSA-N 1 1 398.526 4.028 20 0 GIADMO CCOCCO[C@H]1CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000182921461 822393162 /nfs/dbraw/zinc/39/31/62/822393162.db2.gz DKHSWRUFMLGGQQ-INIZCTEOSA-N 1 1 380.941 4.108 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000178577493 822393337 /nfs/dbraw/zinc/39/33/37/822393337.db2.gz DDKYVDUOUWBERY-UHFFFAOYSA-N 1 1 396.441 4.001 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000182925204 822393933 /nfs/dbraw/zinc/39/39/33/822393933.db2.gz HEQGRWBXTRZXNA-BHYGNILZSA-N 1 1 392.613 4.369 20 0 GIADMO Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)n1 ZINC000182926087 822394205 /nfs/dbraw/zinc/39/42/05/822394205.db2.gz DGUWRVZSLIIRKX-OALUTQOASA-N 1 1 395.551 4.264 20 0 GIADMO Cc1cc(C)n(-c2cccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)n1 ZINC000182926063 822394223 /nfs/dbraw/zinc/39/42/23/822394223.db2.gz DGUWRVZSLIIRKX-RTBURBONSA-N 1 1 395.551 4.264 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC(C)(C)c3ccccc3)c2C1 ZINC000453622386 822394801 /nfs/dbraw/zinc/39/48/01/822394801.db2.gz BGQVNKDZCHHRRS-QGZVFWFLSA-N 1 1 393.531 4.037 20 0 GIADMO Cc1ccc2oc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2n1 ZINC000178599714 822395302 /nfs/dbraw/zinc/39/53/02/822395302.db2.gz FNQUXVYXSMHTKR-CTNGQTDRSA-N 1 1 389.499 4.263 20 0 GIADMO CON1CCC([N@@H+](C)Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000453627365 822395363 /nfs/dbraw/zinc/39/53/63/822395363.db2.gz VKASAKSZVCIRBL-UHFFFAOYSA-N 1 1 390.959 4.416 20 0 GIADMO CC(C)[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000178613616 822396200 /nfs/dbraw/zinc/39/62/00/822396200.db2.gz CAMBXOPZHVTQLA-LJQANCHMSA-N 1 1 386.458 4.021 20 0 GIADMO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000182937545 822396230 /nfs/dbraw/zinc/39/62/30/822396230.db2.gz DFJPVTFNJOOQKU-UKPHBRMFSA-N 1 1 378.586 4.115 20 0 GIADMO COc1cccc([C@H](O)C[N@@H+](CCc2scnc2C)Cc2ccccc2)c1 ZINC000178620054 822396742 /nfs/dbraw/zinc/39/67/42/822396742.db2.gz CQFMEGSDLWIWOD-OAQYLSRUSA-N 1 1 382.529 4.238 20 0 GIADMO Cc1ccccc1OCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182941316 822396967 /nfs/dbraw/zinc/39/69/67/822396967.db2.gz MDYFFBLMLWHFOC-VQTJNVASSA-N 1 1 387.568 4.058 20 0 GIADMO C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccco1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182952054 822398985 /nfs/dbraw/zinc/39/89/85/822398985.db2.gz ZYFAVUJIIVCQPL-MSOLQXFVSA-N 1 1 385.508 4.237 20 0 GIADMO O=C(CC1CCC(C(F)(F)F)CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000182955562 822399527 /nfs/dbraw/zinc/39/95/27/822399527.db2.gz LDGWIAAIZCZXSW-UHFFFAOYSA-N 1 1 382.470 4.480 20 0 GIADMO C[N@@H+](CCCNC(=O)COc1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000045621070 822401006 /nfs/dbraw/zinc/40/10/06/822401006.db2.gz YOEPZODZPPOWTN-UHFFFAOYSA-N 1 1 381.303 4.011 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccc(Br)s1 ZINC000178678642 822402292 /nfs/dbraw/zinc/40/22/92/822402292.db2.gz SBUNNIBEWYBPPJ-UHFFFAOYSA-N 1 1 397.338 4.370 20 0 GIADMO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178703774 822404057 /nfs/dbraw/zinc/40/40/57/822404057.db2.gz DGBSOMDKOAOXOU-BTYIYWSLSA-N 1 1 384.476 4.064 20 0 GIADMO Fc1cccc(F)c1-c1nc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)co1 ZINC000178704896 822404244 /nfs/dbraw/zinc/40/42/44/822404244.db2.gz BTWOMJVPXUJVHA-CQSZACIVSA-N 1 1 395.413 4.042 20 0 GIADMO Fc1cccc(F)c1-c1nc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)co1 ZINC000178704896 822404246 /nfs/dbraw/zinc/40/42/46/822404246.db2.gz BTWOMJVPXUJVHA-CQSZACIVSA-N 1 1 395.413 4.042 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)cc1NC(C)=O ZINC000178708484 822404691 /nfs/dbraw/zinc/40/46/91/822404691.db2.gz CDAPWEJTRJQJGT-LLVKDONJSA-N 1 1 395.272 4.406 20 0 GIADMO C[C@@H](c1nn(CN(C)[C@@H](C)C(C)(C)C)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000045722352 822408270 /nfs/dbraw/zinc/40/82/70/822408270.db2.gz IEZPBYKCVFXBIE-GJZGRUSLSA-N 1 1 393.576 4.489 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183011873 822411098 /nfs/dbraw/zinc/41/10/98/822411098.db2.gz GHAXMNIPSATUNK-KBXCAEBGSA-N 1 1 386.565 4.198 20 0 GIADMO Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000045780064 822412838 /nfs/dbraw/zinc/41/28/38/822412838.db2.gz CBVZYMUJFXRPMJ-MRXNPFEDSA-N 1 1 384.524 4.007 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nccs1 ZINC000183026702 822413716 /nfs/dbraw/zinc/41/37/16/822413716.db2.gz PHVUETCLAWZIGL-IUODEOHRSA-N 1 1 383.439 4.004 20 0 GIADMO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nccs1 ZINC000183028663 822414156 /nfs/dbraw/zinc/41/41/56/822414156.db2.gz VUUCKYQEYNSTNN-HZPDHXFCSA-N 1 1 397.466 4.394 20 0 GIADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)C1 ZINC000045803957 822414975 /nfs/dbraw/zinc/41/49/75/822414975.db2.gz LPGNPQWVHRQBIT-OAHLLOKOSA-N 1 1 399.362 4.343 20 0 GIADMO Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000045819980 822416702 /nfs/dbraw/zinc/41/67/02/822416702.db2.gz QXDXSPIDDYBMKR-QGZVFWFLSA-N 1 1 396.516 4.064 20 0 GIADMO CNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000045822534 822416925 /nfs/dbraw/zinc/41/69/25/822416925.db2.gz PHVIFBGSSZIFFC-UHFFFAOYSA-N 1 1 377.469 4.206 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000183048317 822417240 /nfs/dbraw/zinc/41/72/40/822417240.db2.gz XQLPYOADVVSINX-DNVFCKCGSA-N 1 1 391.559 4.349 20 0 GIADMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)CC1 ZINC000178890469 822419637 /nfs/dbraw/zinc/41/96/37/822419637.db2.gz UYARTOMWCCBWQS-QFIPXVFZSA-N 1 1 394.563 4.070 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC2)cs1 ZINC000183067067 822419850 /nfs/dbraw/zinc/41/98/50/822419850.db2.gz RBZYQGAAHCBGTO-OAHLLOKOSA-N 1 1 391.503 4.147 20 0 GIADMO C[S@](=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 ZINC000183070811 822420486 /nfs/dbraw/zinc/42/04/86/822420486.db2.gz NRJJEPRUWFCWQV-DWACAAAGSA-N 1 1 392.524 4.002 20 0 GIADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000183106108 822425200 /nfs/dbraw/zinc/42/52/00/822425200.db2.gz LXKRDDJGXILFAE-RYUDHWBXSA-N 1 1 386.970 4.246 20 0 GIADMO C[C@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC[N@H+]1Cc1ccccc1 ZINC000178986499 822426693 /nfs/dbraw/zinc/42/66/93/822426693.db2.gz XODGDQQKNVTGAI-KRWDZBQOSA-N 1 1 377.463 4.111 20 0 GIADMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1Br)c1ccccc1 ZINC000183120673 822427113 /nfs/dbraw/zinc/42/71/13/822427113.db2.gz SWPPMDJSYBKRJG-HRAATJIYSA-N 1 1 386.742 4.312 20 0 GIADMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1Br)c1ccccc1 ZINC000183120722 822427395 /nfs/dbraw/zinc/42/73/95/822427395.db2.gz SWPPMDJSYBKRJG-IERDGZPVSA-N 1 1 386.742 4.312 20 0 GIADMO Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000454084482 822427503 /nfs/dbraw/zinc/42/75/03/822427503.db2.gz IIMAABYLOGOFOT-RBUKOAKNSA-N 1 1 393.531 4.043 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cc(-c3cccnc3)[nH]n2)c1 ZINC000179002356 822428673 /nfs/dbraw/zinc/42/86/73/822428673.db2.gz NKCYBRKSWCKKQO-UHFFFAOYSA-N 1 1 397.482 4.356 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000183142197 822430294 /nfs/dbraw/zinc/43/02/94/822430294.db2.gz IOVVCRHHCBESOV-KOXFWSKDSA-N 1 1 386.561 4.155 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000045997310 822432336 /nfs/dbraw/zinc/43/23/36/822432336.db2.gz WIOJLMIQUUGNJV-LJQANCHMSA-N 1 1 396.535 4.328 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccccc1-n1cccn1 ZINC000183156953 822433113 /nfs/dbraw/zinc/43/31/13/822433113.db2.gz MMXFCHPWVLKFFW-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183163846 822433954 /nfs/dbraw/zinc/43/39/54/822433954.db2.gz PHHOOJQDWITENU-NSHDSACASA-N 1 1 397.426 4.412 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1F ZINC000183163723 822433961 /nfs/dbraw/zinc/43/39/61/822433961.db2.gz UXKTVPOPNBDHGR-ZDUSSCGKSA-N 1 1 398.404 4.014 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)n1 ZINC000183179530 822436522 /nfs/dbraw/zinc/43/65/22/822436522.db2.gz UTGXCXOWXJSJFP-UHFFFAOYSA-N 1 1 376.382 4.394 20 0 GIADMO O=C(c1sc2cc(F)ccc2c1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046047890 822438010 /nfs/dbraw/zinc/43/80/10/822438010.db2.gz JMCQZFGDEQUTMI-AWEZNQCLSA-N 1 1 396.915 4.021 20 0 GIADMO O=C(c1sc2cc(F)ccc2c1Cl)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000046047890 822438011 /nfs/dbraw/zinc/43/80/11/822438011.db2.gz JMCQZFGDEQUTMI-AWEZNQCLSA-N 1 1 396.915 4.021 20 0 GIADMO Cc1c([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nnn1-c1ccc(F)cc1 ZINC000183193953 822439212 /nfs/dbraw/zinc/43/92/12/822439212.db2.gz KMSZGTJGZTWIIU-XYJFISCASA-N 1 1 385.531 4.018 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC000183198870 822440030 /nfs/dbraw/zinc/44/00/30/822440030.db2.gz PLHVTKAMJITPEJ-IRFCIJBXSA-N 1 1 396.579 4.244 20 0 GIADMO COc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC000183198870 822440032 /nfs/dbraw/zinc/44/00/32/822440032.db2.gz PLHVTKAMJITPEJ-IRFCIJBXSA-N 1 1 396.579 4.244 20 0 GIADMO COc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC000183198870 822440034 /nfs/dbraw/zinc/44/00/34/822440034.db2.gz PLHVTKAMJITPEJ-IRFCIJBXSA-N 1 1 396.579 4.244 20 0 GIADMO CS[C@@H](C)CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183201496 822440655 /nfs/dbraw/zinc/44/06/55/822440655.db2.gz RWUPNSGFKDYHBK-LBPRGKRZSA-N 1 1 390.380 4.009 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]([C@@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000454226912 822440889 /nfs/dbraw/zinc/44/08/89/822440889.db2.gz LOPJQKDBCVTWCN-JTHBVZDNSA-N 1 1 399.579 4.370 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000183231732 822445136 /nfs/dbraw/zinc/44/51/36/822445136.db2.gz ASKPIIZVJMSEGQ-WOJBJXKFSA-N 1 1 388.870 4.196 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2)C1 ZINC000046155927 822445400 /nfs/dbraw/zinc/44/54/00/822445400.db2.gz BQVPWKAUVPRRTH-IBGZPJMESA-N 1 1 388.515 4.416 20 0 GIADMO CC1([C@@H]2CCC[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)OCCO1 ZINC000183241655 822447120 /nfs/dbraw/zinc/44/71/20/822447120.db2.gz RZJBDOUVIIWCNZ-JOCHJYFZSA-N 1 1 392.499 4.112 20 0 GIADMO O=C1NCCN1C1CC[NH+](Cc2c(Cl)cccc2Oc2ccccc2)CC1 ZINC000183253365 822448811 /nfs/dbraw/zinc/44/88/11/822448811.db2.gz QUDLFVKLZQXZIX-UHFFFAOYSA-N 1 1 385.895 4.122 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ncc(Br)s1 ZINC000179191229 822449116 /nfs/dbraw/zinc/44/91/16/822449116.db2.gz OHNHGCOOEUFINA-OLZOCXBDSA-N 1 1 384.343 4.376 20 0 GIADMO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000179191385 822449141 /nfs/dbraw/zinc/44/91/41/822449141.db2.gz IBIAODITYHQDFD-HTAPYJJXSA-N 1 1 395.934 4.491 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000179195789 822449301 /nfs/dbraw/zinc/44/93/01/822449301.db2.gz WKICFEGYPYGSLV-IBGZPJMESA-N 1 1 399.498 4.434 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000179195801 822449311 /nfs/dbraw/zinc/44/93/11/822449311.db2.gz WKICFEGYPYGSLV-LJQANCHMSA-N 1 1 399.498 4.434 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ncc(Br)s1 ZINC000179214021 822452412 /nfs/dbraw/zinc/45/24/12/822452412.db2.gz HXJQEHBBOIYTFT-VXGBXAGGSA-N 1 1 394.338 4.444 20 0 GIADMO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ncc(Br)s2)N2CCCC2)o1 ZINC000179221726 822453319 /nfs/dbraw/zinc/45/33/19/822453319.db2.gz KCHGTQWTIHVJBC-QWHCGFSZSA-N 1 1 384.343 4.295 20 0 GIADMO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239087 822456071 /nfs/dbraw/zinc/45/60/71/822456071.db2.gz JCRSXXXZGQJDRN-KCQAQPDRSA-N 1 1 380.355 4.219 20 0 GIADMO C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239087 822456075 /nfs/dbraw/zinc/45/60/75/822456075.db2.gz JCRSXXXZGQJDRN-KCQAQPDRSA-N 1 1 380.355 4.219 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000454324228 822458055 /nfs/dbraw/zinc/45/80/55/822458055.db2.gz VJJYGQVSBWWVNN-QAPCUYQASA-N 1 1 385.474 4.399 20 0 GIADMO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C[C@@H]1C ZINC000454323391 822458081 /nfs/dbraw/zinc/45/80/81/822458081.db2.gz UUGKBXQLEVEMLJ-CNNODRBYSA-N 1 1 387.568 4.018 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[C@]2(CCOC2)C1)C1CCCCC1 ZINC000454360330 822461684 /nfs/dbraw/zinc/46/16/84/822461684.db2.gz INPNVRFKSFHFEG-DEOSSOPVSA-N 1 1 399.579 4.163 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3oc(=O)ccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000179304935 822463195 /nfs/dbraw/zinc/46/31/95/822463195.db2.gz XEVSWDZGQKUODQ-PXNSSMCTSA-N 1 1 397.862 4.013 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3oc(=O)ccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000179304935 822463198 /nfs/dbraw/zinc/46/31/98/822463198.db2.gz XEVSWDZGQKUODQ-PXNSSMCTSA-N 1 1 397.862 4.013 20 0 GIADMO Cc1ccc(OCCCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046341485 822463259 /nfs/dbraw/zinc/46/32/59/822463259.db2.gz GIKOQWVKKSKMNT-PMACEKPBSA-N 1 1 396.531 4.402 20 0 GIADMO COC[C@]1(C)CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000454376504 822465110 /nfs/dbraw/zinc/46/51/10/822465110.db2.gz VIBPHZIHCDRYHC-HSZRJFAPSA-N 1 1 387.568 4.019 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000179322439 822465922 /nfs/dbraw/zinc/46/59/22/822465922.db2.gz BLNKEFONXBBYQR-KRWDZBQOSA-N 1 1 394.563 4.298 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046403766 822470413 /nfs/dbraw/zinc/47/04/13/822470413.db2.gz LHDRNZXQSRVJSG-UHFFFAOYSA-N 1 1 390.487 4.044 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000183411730 822470520 /nfs/dbraw/zinc/47/05/20/822470520.db2.gz YBPSGZMMCSFIMZ-GAJHUEQPSA-N 1 1 376.456 4.074 20 0 GIADMO C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)o1 ZINC000046404415 822470714 /nfs/dbraw/zinc/47/07/14/822470714.db2.gz MBHJADBNYWBEQR-LAUBAEHRSA-N 1 1 381.520 4.116 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC[C@H]1CCCCC1(F)F ZINC000454415889 822471959 /nfs/dbraw/zinc/47/19/59/822471959.db2.gz VOXKUUPLYVPWQP-HZPDHXFCSA-N 1 1 385.524 4.085 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000183448595 822476497 /nfs/dbraw/zinc/47/64/97/822476497.db2.gz MTXQQFRUOVIOFQ-CVEARBPZSA-N 1 1 377.504 4.387 20 0 GIADMO Cc1ccnc(-c2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2)n1 ZINC000183483940 822483405 /nfs/dbraw/zinc/48/34/05/822483405.db2.gz JTQPKTAWGHTFAA-HKUYNNGSSA-N 1 1 393.535 4.227 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C2CC2)n1 ZINC000183496187 822485956 /nfs/dbraw/zinc/48/59/56/822485956.db2.gz DCZQLHDFRFVGJN-JKSUJKDBSA-N 1 1 379.888 4.090 20 0 GIADMO CCO[C@@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C[C@@H]1C ZINC000454502418 822486134 /nfs/dbraw/zinc/48/61/34/822486134.db2.gz HNJFQFAZJDWWMX-FXAWDEMLSA-N 1 1 384.524 4.334 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)CCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179472477 822487728 /nfs/dbraw/zinc/48/77/28/822487728.db2.gz SFJJYHWPYHOKRD-KUHUBIRLSA-N 1 1 380.916 4.282 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000454515967 822489042 /nfs/dbraw/zinc/48/90/42/822489042.db2.gz TYILYDKUGQXDQA-NJYVYQBISA-N 1 1 396.535 4.212 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000454520792 822490609 /nfs/dbraw/zinc/49/06/09/822490609.db2.gz PLVXIDBHSPYURQ-SVMVAKDDSA-N 1 1 387.568 4.061 20 0 GIADMO CC(C)Sc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000183536496 822491503 /nfs/dbraw/zinc/49/15/03/822491503.db2.gz GVDOMNHOZMRJSZ-HXUWFJFHSA-N 1 1 398.572 4.074 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)Nc1cccc2ccccc21 ZINC000179497915 822491618 /nfs/dbraw/zinc/49/16/18/822491618.db2.gz HULFYOXVNYVMOF-GOSISDBHSA-N 1 1 389.503 4.044 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)Nc1cccc2ccccc21 ZINC000179497915 822491620 /nfs/dbraw/zinc/49/16/20/822491620.db2.gz HULFYOXVNYVMOF-GOSISDBHSA-N 1 1 389.503 4.044 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)Nc1cccc2ccccc21 ZINC000179497915 822491622 /nfs/dbraw/zinc/49/16/22/822491622.db2.gz HULFYOXVNYVMOF-GOSISDBHSA-N 1 1 389.503 4.044 20 0 GIADMO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(OC(F)F)c1 ZINC000046609377 822491804 /nfs/dbraw/zinc/49/18/04/822491804.db2.gz MKRKBQIYYHEDHY-CVEARBPZSA-N 1 1 383.483 4.303 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183540393 822492214 /nfs/dbraw/zinc/49/22/14/822492214.db2.gz BCWRDUHNYRZTCI-STQMWFEESA-N 1 1 391.466 4.275 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183540393 822492217 /nfs/dbraw/zinc/49/22/17/822492217.db2.gz BCWRDUHNYRZTCI-STQMWFEESA-N 1 1 391.466 4.275 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183540393 822492219 /nfs/dbraw/zinc/49/22/19/822492219.db2.gz BCWRDUHNYRZTCI-STQMWFEESA-N 1 1 391.466 4.275 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)n1 ZINC000183542965 822492663 /nfs/dbraw/zinc/49/26/63/822492663.db2.gz JIBGEIARPOGQFK-LPHOPBHVSA-N 1 1 382.533 4.136 20 0 GIADMO Clc1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)co2)c1 ZINC000179510414 822493392 /nfs/dbraw/zinc/49/33/92/822493392.db2.gz LJEFHBXXRXBGBN-HNNXBMFYSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1cccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)co2)c1 ZINC000179510414 822493396 /nfs/dbraw/zinc/49/33/96/822493396.db2.gz LJEFHBXXRXBGBN-HNNXBMFYSA-N 1 1 383.883 4.370 20 0 GIADMO Fc1ccc([C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc2)nc1 ZINC000183550494 822493636 /nfs/dbraw/zinc/49/36/36/822493636.db2.gz PWFXHJWNBVPAMV-BWKNWUBXSA-N 1 1 389.518 4.464 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000183564120 822495299 /nfs/dbraw/zinc/49/52/99/822495299.db2.gz NWQXZFALNBKTIE-UHFFFAOYSA-N 1 1 383.439 4.321 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000183563708 822495357 /nfs/dbraw/zinc/49/53/57/822495357.db2.gz GLLNOTPXVUOQHO-KBPBESRZSA-N 1 1 376.522 4.404 20 0 GIADMO Cc1csc(CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000454550699 822495531 /nfs/dbraw/zinc/49/55/31/822495531.db2.gz NCPDIVDPMHGZIK-UHFFFAOYSA-N 1 1 383.517 4.281 20 0 GIADMO Cc1csc(CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000454550699 822495533 /nfs/dbraw/zinc/49/55/33/822495533.db2.gz NCPDIVDPMHGZIK-UHFFFAOYSA-N 1 1 383.517 4.281 20 0 GIADMO FC(F)(F)c1cc(Br)ccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000179526905 822497367 /nfs/dbraw/zinc/49/73/67/822497367.db2.gz ACPVFQYHCLEAFP-UONOGXRCSA-N 1 1 377.248 4.184 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000179543330 822500270 /nfs/dbraw/zinc/50/02/70/822500270.db2.gz BMKYFNCQJAYLPO-INIZCTEOSA-N 1 1 383.540 4.073 20 0 GIADMO CCn1nc(C)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1C ZINC000179545981 822500907 /nfs/dbraw/zinc/50/09/07/822500907.db2.gz RHSLIKCURXAVCQ-NHCUHLMSSA-N 1 1 395.551 4.038 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc(F)cc(F)c1 ZINC000179555895 822503037 /nfs/dbraw/zinc/50/30/37/822503037.db2.gz MQSZAWWSYZGGTI-QTJFZDIUSA-N 1 1 380.866 4.341 20 0 GIADMO CCc1nn(C)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000179579299 822506334 /nfs/dbraw/zinc/50/63/34/822506334.db2.gz KDBYKJAVEQMREC-JOCHJYFZSA-N 1 1 397.544 4.209 20 0 GIADMO CCc1nn(C)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000179579299 822506336 /nfs/dbraw/zinc/50/63/36/822506336.db2.gz KDBYKJAVEQMREC-JOCHJYFZSA-N 1 1 397.544 4.209 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454615124 822506574 /nfs/dbraw/zinc/50/65/74/822506574.db2.gz LKGRKYFANGFHKU-CBQOVEMMSA-N 1 1 393.531 4.427 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454615131 822506606 /nfs/dbraw/zinc/50/66/06/822506606.db2.gz LKGRKYFANGFHKU-SYYKKAFVSA-N 1 1 393.531 4.427 20 0 GIADMO CSCC1CCC(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000454632046 822509772 /nfs/dbraw/zinc/50/97/72/822509772.db2.gz OUSIZDRBVCUMSI-UHFFFAOYSA-N 1 1 393.622 4.279 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)Cc1ccccc1Br ZINC000046751302 822512889 /nfs/dbraw/zinc/51/28/89/822512889.db2.gz JAKXKLCAJDWTJC-MRXNPFEDSA-N 1 1 396.373 4.245 20 0 GIADMO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnn(CC)c1 ZINC000179652800 822520547 /nfs/dbraw/zinc/52/05/47/822520547.db2.gz KQLJOKOZZAYEDV-AWEZNQCLSA-N 1 1 382.430 4.161 20 0 GIADMO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnn(CC)c1 ZINC000179652800 822520551 /nfs/dbraw/zinc/52/05/51/822520551.db2.gz KQLJOKOZZAYEDV-AWEZNQCLSA-N 1 1 382.430 4.161 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(F)cc(Br)c1 ZINC000046816348 822520746 /nfs/dbraw/zinc/52/07/46/822520746.db2.gz UXKCVEZVQKQDPP-UHFFFAOYSA-N 1 1 393.300 4.358 20 0 GIADMO COc1ccc(Sc2ccc(NC(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)cc2)cc1 ZINC000454706477 822520977 /nfs/dbraw/zinc/52/09/77/822520977.db2.gz KBWWKJLKTFTRAX-MGPUTAFESA-N 1 1 383.517 4.014 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+]C1(c2ccccc2F)CC1 ZINC000179654187 822521034 /nfs/dbraw/zinc/52/10/34/822521034.db2.gz IZNWWKRIQGDTPC-UHFFFAOYSA-N 1 1 392.478 4.154 20 0 GIADMO CC[C@H](NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)c1c(C)noc1C ZINC000454709361 822521534 /nfs/dbraw/zinc/52/15/34/822521534.db2.gz CKXSZNPLYCTXSA-IBGZPJMESA-N 1 1 384.524 4.096 20 0 GIADMO CC[C@@H](NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)c1c(C)noc1C ZINC000454709366 822521543 /nfs/dbraw/zinc/52/15/43/822521543.db2.gz CKXSZNPLYCTXSA-LJQANCHMSA-N 1 1 384.524 4.096 20 0 GIADMO CCN(Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183749500 822522048 /nfs/dbraw/zinc/52/20/48/822522048.db2.gz YUGYFIPCUQSGJT-QFIPXVFZSA-N 1 1 377.536 4.109 20 0 GIADMO CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183749500 822522050 /nfs/dbraw/zinc/52/20/50/822522050.db2.gz YUGYFIPCUQSGJT-QFIPXVFZSA-N 1 1 377.536 4.109 20 0 GIADMO CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183749500 822522052 /nfs/dbraw/zinc/52/20/52/822522052.db2.gz YUGYFIPCUQSGJT-QFIPXVFZSA-N 1 1 377.536 4.109 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)c1 ZINC000183757727 822523229 /nfs/dbraw/zinc/52/32/29/822523229.db2.gz DDAYRTJKJTUCQL-LLVKDONJSA-N 1 1 383.275 4.300 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C(F)(F)F)c1 ZINC000454726235 822523960 /nfs/dbraw/zinc/52/39/60/822523960.db2.gz BPXNMRMYLMWNSP-LJQANCHMSA-N 1 1 399.457 4.442 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046861796 822525118 /nfs/dbraw/zinc/52/51/18/822525118.db2.gz BTEJPCVAWBQSCL-OAHLLOKOSA-N 1 1 387.549 4.045 20 0 GIADMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccccc1OCC(=O)OC ZINC000183773412 822526322 /nfs/dbraw/zinc/52/63/22/822526322.db2.gz SMKDEMUTDAACBO-CVEARBPZSA-N 1 1 381.476 4.020 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCCN(c4ccccn4)CC3)o2)cc1C ZINC000183780634 822527637 /nfs/dbraw/zinc/52/76/37/822527637.db2.gz HPOOMPAEOZSIDW-GOSISDBHSA-N 1 1 377.492 4.022 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCCN(c4ccccn4)CC3)o2)cc1C ZINC000183780634 822527639 /nfs/dbraw/zinc/52/76/39/822527639.db2.gz HPOOMPAEOZSIDW-GOSISDBHSA-N 1 1 377.492 4.022 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc1)[NH+]1CCOCC1 ZINC000454763335 822529753 /nfs/dbraw/zinc/52/97/53/822529753.db2.gz DZOSBPYKYDVSHX-DYESRHJHSA-N 1 1 395.503 4.432 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@H](c3ccccc3)C3CC3)n2)cc(OC)c1OC ZINC000179698759 822529910 /nfs/dbraw/zinc/52/99/10/822529910.db2.gz RNWQKILEHRHQJL-HXUWFJFHSA-N 1 1 395.459 4.003 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCOc2ncccc2C(F)(F)F)c2ccccc2)nc1 ZINC000183803649 822529952 /nfs/dbraw/zinc/52/99/52/822529952.db2.gz RDZFGLHZRVANCQ-GOSISDBHSA-N 1 1 391.368 4.393 20 0 GIADMO C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454766969 822530315 /nfs/dbraw/zinc/53/03/15/822530315.db2.gz KOHODNUOCJTBQG-VCOUNFBDSA-N 1 1 393.531 4.427 20 0 GIADMO COc1cc([C@H](C)NCC[NH+]2CCC(C)CC2)ccc1OCc1ccncc1 ZINC000179705483 822531536 /nfs/dbraw/zinc/53/15/36/822531536.db2.gz XFDLOUIMJILSRS-IBGZPJMESA-N 1 1 383.536 4.052 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H]2c2cccn2C)c1 ZINC000179705091 822531580 /nfs/dbraw/zinc/53/15/80/822531580.db2.gz XSPHKAOPAYOHQU-QFIPXVFZSA-N 1 1 377.488 4.345 20 0 GIADMO COc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(OC)c1OC ZINC000046934308 822532327 /nfs/dbraw/zinc/53/23/27/822532327.db2.gz XKCJFMIPIGNSFF-MRXNPFEDSA-N 1 1 398.503 4.197 20 0 GIADMO Cc1cc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c(C)n1CC(F)(F)F ZINC000046935677 822532819 /nfs/dbraw/zinc/53/28/19/822532819.db2.gz NJZTUVIOWJXTAE-UHFFFAOYSA-N 1 1 395.469 4.437 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2CC(c3ccc(Cl)cc3)C2)cc1)[NH+]1CCOCC1 ZINC000454783698 822533413 /nfs/dbraw/zinc/53/34/13/822533413.db2.gz YTUFWFHTVKMYRC-INIZCTEOSA-N 1 1 399.922 4.365 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000046954693 822533899 /nfs/dbraw/zinc/53/38/99/822533899.db2.gz KOLYBFGPKHNZBY-CVEARBPZSA-N 1 1 378.607 4.406 20 0 GIADMO C[C@@H](c1ccc(NC(=O)NCc2ccc(C(F)F)cc2)cc1)[NH+]1CCOCC1 ZINC000183848309 822535436 /nfs/dbraw/zinc/53/54/36/822535436.db2.gz ZTUZCIISDRENHP-HNNXBMFYSA-N 1 1 389.446 4.339 20 0 GIADMO Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1NC(=O)c1ccco1 ZINC000046990449 822536078 /nfs/dbraw/zinc/53/60/78/822536078.db2.gz SNXVHXGDQMSMHY-QGZVFWFLSA-N 1 1 397.519 4.082 20 0 GIADMO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046990419 822536092 /nfs/dbraw/zinc/53/60/92/822536092.db2.gz PSJWSDASTFIWJR-QGZVFWFLSA-N 1 1 399.535 4.112 20 0 GIADMO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000179734643 822538228 /nfs/dbraw/zinc/53/82/28/822538228.db2.gz SDHDDUFWWAQTTD-GJZGRUSLSA-N 1 1 384.501 4.430 20 0 GIADMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000179734643 822538231 /nfs/dbraw/zinc/53/82/31/822538231.db2.gz SDHDDUFWWAQTTD-GJZGRUSLSA-N 1 1 384.501 4.430 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(-c2cccs2)no1 ZINC000179738429 822539661 /nfs/dbraw/zinc/53/96/61/822539661.db2.gz IQSGZFGGPVPONK-SGTLLEGYSA-N 1 1 383.473 4.371 20 0 GIADMO Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](CNC(=O)OC(C)(C)C)C3)s2)cc1 ZINC000179742683 822541034 /nfs/dbraw/zinc/54/10/34/822541034.db2.gz QZMRRSXHQNWABI-MRXNPFEDSA-N 1 1 387.549 4.465 20 0 GIADMO CCCn1c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)nc2ccccc21 ZINC000179744526 822541418 /nfs/dbraw/zinc/54/14/18/822541418.db2.gz CRGSMRMVUFDBCP-UHFFFAOYSA-N 1 1 376.504 4.297 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1)C(C)C ZINC000183894144 822541990 /nfs/dbraw/zinc/54/19/90/822541990.db2.gz QKSPOCXSHWPDNH-UHFFFAOYSA-N 1 1 388.515 4.304 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183897044 822542134 /nfs/dbraw/zinc/54/21/34/822542134.db2.gz KEJCRZQTWKEKEO-SFHVURJKSA-N 1 1 388.552 4.347 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000179752536 822542904 /nfs/dbraw/zinc/54/29/04/822542904.db2.gz NFNAIUCQPUKTSJ-UHFFFAOYSA-N 1 1 399.922 4.417 20 0 GIADMO Cc1ccc(-c2cc(C[NH2+][C@H](CO)c3cccc(Br)c3)on2)cc1 ZINC000183914334 822545363 /nfs/dbraw/zinc/54/53/63/822545363.db2.gz UKXOHBKSENNNGM-LJQANCHMSA-N 1 1 387.277 4.236 20 0 GIADMO Fc1ccc(-c2cnc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)o2)cc1 ZINC000179762055 822545835 /nfs/dbraw/zinc/54/58/35/822545835.db2.gz VEBQLKKIQQJEIR-QFIPXVFZSA-N 1 1 380.419 4.493 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000179762133 822545882 /nfs/dbraw/zinc/54/58/82/822545882.db2.gz YVLPROWJCNSLIX-IBGZPJMESA-N 1 1 396.531 4.320 20 0 GIADMO Cc1ccc(F)c(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000047127739 822546442 /nfs/dbraw/zinc/54/64/42/822546442.db2.gz KZPSGMDVOWAEPW-IRXDYDNUSA-N 1 1 385.483 4.065 20 0 GIADMO C[C@H](CCCC(F)(F)F)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454868823 822548732 /nfs/dbraw/zinc/54/87/32/822548732.db2.gz YLTLNLBCSBCFDU-DLBZAZTESA-N 1 1 385.474 4.271 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1cc2c(cc1Br)OCCCO2)c1nccs1 ZINC000183929986 822548883 /nfs/dbraw/zinc/54/88/83/822548883.db2.gz HIYKRMAZTPLPTB-GFCCVEGCSA-N 1 1 397.338 4.302 20 0 GIADMO COc1ccc(OCc2ccccn2)c(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000179769384 822549008 /nfs/dbraw/zinc/54/90/08/822549008.db2.gz PFUVTIKNDWBEJP-UHFFFAOYSA-N 1 1 395.547 4.120 20 0 GIADMO C[C@@H](C[N@H+](C)Cc1nnc(-c2ccccc2Br)o1)c1nccs1 ZINC000183931165 822549199 /nfs/dbraw/zinc/54/91/99/822549199.db2.gz VPVLAKQBCDLWKO-NSHDSACASA-N 1 1 393.310 4.191 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1)c1nccs1 ZINC000183931165 822549203 /nfs/dbraw/zinc/54/92/03/822549203.db2.gz VPVLAKQBCDLWKO-NSHDSACASA-N 1 1 393.310 4.191 20 0 GIADMO COc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1OCc1cccnc1 ZINC000179771283 822549415 /nfs/dbraw/zinc/54/94/15/822549415.db2.gz CACPOGLKEMTROO-UHFFFAOYSA-N 1 1 395.547 4.120 20 0 GIADMO CCCOc1c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cccc1OCC ZINC000179778802 822551005 /nfs/dbraw/zinc/55/10/05/822551005.db2.gz REXBMCKOUYFXHY-LJQANCHMSA-N 1 1 394.519 4.296 20 0 GIADMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179779682 822551230 /nfs/dbraw/zinc/55/12/30/822551230.db2.gz QVJWZCLEHKGYCT-ZDUSSCGKSA-N 1 1 391.302 4.424 20 0 GIADMO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179779682 822551232 /nfs/dbraw/zinc/55/12/32/822551232.db2.gz QVJWZCLEHKGYCT-ZDUSSCGKSA-N 1 1 391.302 4.424 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(F)ccc1F ZINC000179779764 822551269 /nfs/dbraw/zinc/55/12/69/822551269.db2.gz BVJJGOZJNSCDSZ-MRXNPFEDSA-N 1 1 375.387 4.202 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)s1 ZINC000183946474 822551832 /nfs/dbraw/zinc/55/18/32/822551832.db2.gz KRVBXFFPZNNFIS-LBPRGKRZSA-N 1 1 383.920 4.116 20 0 GIADMO COC1CCN(c2ccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2C(F)(F)F)CC1 ZINC000179782848 822551898 /nfs/dbraw/zinc/55/18/98/822551898.db2.gz UDHYIZQBHYRXOO-ZBFHGGJFSA-N 1 1 385.474 4.215 20 0 GIADMO C[C@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000454895256 822552529 /nfs/dbraw/zinc/55/25/29/822552529.db2.gz GVMQMHOEOCAZBR-CQSZACIVSA-N 1 1 377.410 4.090 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2c(F)cc(F)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000454895254 822552571 /nfs/dbraw/zinc/55/25/71/822552571.db2.gz GVMQMHOEOCAZBR-AWEZNQCLSA-N 1 1 377.410 4.090 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)c1cc(F)ccc1F ZINC000179787889 822553216 /nfs/dbraw/zinc/55/32/16/822553216.db2.gz MGYBZDIVFMMJEW-HNNXBMFYSA-N 1 1 398.837 4.315 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccccc2SCCC(N)=O)cc1 ZINC000179791251 822553774 /nfs/dbraw/zinc/55/37/74/822553774.db2.gz NIKNAOPPGRPEBR-OAHLLOKOSA-N 1 1 380.517 4.321 20 0 GIADMO CC(C)Cc1ccc([C@H]([NH2+]Cc2csc(CS(C)(=O)=O)n2)C2CC2)cc1 ZINC000179794660 822554379 /nfs/dbraw/zinc/55/43/79/822554379.db2.gz RYNBDRDNGUCPAF-FQEVSTJZSA-N 1 1 392.590 4.127 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000047213697 822554759 /nfs/dbraw/zinc/55/47/59/822554759.db2.gz BRGZPGWOZDZLSU-MRXNPFEDSA-N 1 1 386.515 4.013 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000047228076 822556078 /nfs/dbraw/zinc/55/60/78/822556078.db2.gz RWEOHVYGDZVEPC-UHFFFAOYSA-N 1 1 388.471 4.056 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000183979898 822557376 /nfs/dbraw/zinc/55/73/76/822557376.db2.gz WMGITUUYIIGUMP-AWEZNQCLSA-N 1 1 375.415 4.247 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000454926316 822558270 /nfs/dbraw/zinc/55/82/70/822558270.db2.gz NEPROKZGQQSZQJ-SFHVURJKSA-N 1 1 391.515 4.191 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4ccccc4C)CC3)c2c1 ZINC000047257289 822559080 /nfs/dbraw/zinc/55/90/80/822559080.db2.gz ISNOJGVZICWKFQ-UHFFFAOYSA-N 1 1 375.472 4.213 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4ccccc4C)CC3)c2c1 ZINC000047257289 822559081 /nfs/dbraw/zinc/55/90/81/822559081.db2.gz ISNOJGVZICWKFQ-UHFFFAOYSA-N 1 1 375.472 4.213 20 0 GIADMO CCc1ccc(-c2nc(C[NH+]3CCC(c4nnc5n4CCC5)CC3)cs2)cc1 ZINC000047258683 822559393 /nfs/dbraw/zinc/55/93/93/822559393.db2.gz BIJVWOPWERHQRD-UHFFFAOYSA-N 1 1 393.560 4.290 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OCC(F)(F)F)cc1 ZINC000047265594 822559854 /nfs/dbraw/zinc/55/98/54/822559854.db2.gz VDXUCFGVOSFWNB-UHFFFAOYSA-N 1 1 396.409 4.097 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OCC(F)(F)F)cc1 ZINC000047265594 822559857 /nfs/dbraw/zinc/55/98/57/822559857.db2.gz VDXUCFGVOSFWNB-UHFFFAOYSA-N 1 1 396.409 4.097 20 0 GIADMO CCCC[N@H+](C)c1ccc(N[C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000179830623 822561504 /nfs/dbraw/zinc/56/15/04/822561504.db2.gz RQROBOXMOCJIKV-MRXNPFEDSA-N 1 1 375.538 4.004 20 0 GIADMO CCCC[N@@H+](C)c1ccc(N[C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000179830623 822561505 /nfs/dbraw/zinc/56/15/05/822561505.db2.gz RQROBOXMOCJIKV-MRXNPFEDSA-N 1 1 375.538 4.004 20 0 GIADMO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000454947680 822561771 /nfs/dbraw/zinc/56/17/71/822561771.db2.gz NSXYODPEXLHLIN-XXBNENTESA-N 1 1 384.568 4.323 20 0 GIADMO CC(C)c1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cnn1-c1cccc(Cl)c1 ZINC000047287108 822562194 /nfs/dbraw/zinc/56/21/94/822562194.db2.gz GVUZVCGHQHIWAX-RTBURBONSA-N 1 1 386.927 4.006 20 0 GIADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccc(Cl)cc1Cl ZINC000047326198 822566921 /nfs/dbraw/zinc/56/69/21/822566921.db2.gz LJUDWIUZTOMNDC-UHFFFAOYSA-N 1 1 394.302 4.147 20 0 GIADMO COc1ccccc1CSc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000454994950 822567359 /nfs/dbraw/zinc/56/73/59/822567359.db2.gz HSFXBCQFGBFUPH-INIZCTEOSA-N 1 1 385.533 4.061 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000184054227 822571573 /nfs/dbraw/zinc/57/15/73/822571573.db2.gz YGKCGOPIMZHIKM-AWEZNQCLSA-N 1 1 379.460 4.176 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000184054247 822571673 /nfs/dbraw/zinc/57/16/73/822571673.db2.gz YGKCGOPIMZHIKM-CQSZACIVSA-N 1 1 379.460 4.176 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccccc2COc2ccccc2)cn1 ZINC000047385616 822573296 /nfs/dbraw/zinc/57/32/96/822573296.db2.gz YDBBLIRLEXSTCQ-UHFFFAOYSA-N 1 1 384.439 4.407 20 0 GIADMO COc1ccc(C[N@H+](Cc2csc(-c3ccoc3)n2)[C@H](CO)C(C)C)cc1 ZINC000179920738 822577550 /nfs/dbraw/zinc/57/75/50/822577550.db2.gz HITLKFZDLULDCE-HXUWFJFHSA-N 1 1 386.517 4.431 20 0 GIADMO COc1ccc(C[N@@H+](Cc2csc(-c3ccoc3)n2)[C@H](CO)C(C)C)cc1 ZINC000179920738 822577552 /nfs/dbraw/zinc/57/75/52/822577552.db2.gz HITLKFZDLULDCE-HXUWFJFHSA-N 1 1 386.517 4.431 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)C2)C1 ZINC000455043738 822578786 /nfs/dbraw/zinc/57/87/86/822578786.db2.gz BDLOVLKULLVBAC-DEOSSOPVSA-N 1 1 391.515 4.238 20 0 GIADMO CC(C)n1cc(C[NH+]2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)cn1 ZINC000179932803 822579664 /nfs/dbraw/zinc/57/96/64/822579664.db2.gz ZFNUROIPSYMOBJ-UHFFFAOYSA-N 1 1 376.545 4.076 20 0 GIADMO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)CC)cc1 ZINC000179950100 822584204 /nfs/dbraw/zinc/58/42/04/822584204.db2.gz NMSIOEQGYCLFPA-CQSZACIVSA-N 1 1 381.925 4.383 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179950924 822584476 /nfs/dbraw/zinc/58/44/76/822584476.db2.gz HRIZZGDFFADURY-SUMWQHHRSA-N 1 1 376.497 4.082 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@H](F)C2)cc1)C[C@H]1CCCCO1 ZINC000455073340 822584932 /nfs/dbraw/zinc/58/49/32/822584932.db2.gz HJEDPNFHHCRTJG-AZUAARDMSA-N 1 1 377.504 4.042 20 0 GIADMO CC(C)N1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179956300 822585465 /nfs/dbraw/zinc/58/54/65/822585465.db2.gz PTVOQNWBBOVLKZ-JYWFKMLOSA-N 1 1 379.951 4.219 20 0 GIADMO CC(C)N1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179956300 822585466 /nfs/dbraw/zinc/58/54/66/822585466.db2.gz PTVOQNWBBOVLKZ-JYWFKMLOSA-N 1 1 379.951 4.219 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]2C2CC2)cc1)C[C@@H]1CCCCO1 ZINC000455079583 822586333 /nfs/dbraw/zinc/58/63/33/822586333.db2.gz SYWMSTLJQTXMNL-FCHUYYIVSA-N 1 1 385.552 4.482 20 0 GIADMO COc1cccc([C@H](CN[C@H](C)c2nc3ccc(Cl)cc3n2C)[NH+](C)C)c1 ZINC000179968541 822587491 /nfs/dbraw/zinc/58/74/91/822587491.db2.gz IUKQYHKTPSTRDZ-VLIAUNLRSA-N 1 1 386.927 4.189 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1ccc([S@](C)=O)cc1)c1cccc(Br)c1 ZINC000179978992 822589455 /nfs/dbraw/zinc/58/94/55/822589455.db2.gz ILBZWWJVVZHYDZ-FPTDNZKUSA-N 1 1 380.351 4.422 20 0 GIADMO Cc1c2ccc3ccccc3c2oc1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000184177115 822591184 /nfs/dbraw/zinc/59/11/84/822591184.db2.gz ILIVLLUDTLWGCD-UHFFFAOYSA-N 1 1 393.531 4.040 20 0 GIADMO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc(OC)cc1 ZINC000179989660 822591744 /nfs/dbraw/zinc/59/17/44/822591744.db2.gz DVVWCYBDEIBBKI-LJQANCHMSA-N 1 1 381.451 4.138 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCSC(F)(F)F)c1 ZINC000047571385 822592562 /nfs/dbraw/zinc/59/25/62/822592562.db2.gz PFQSNNFSTHVXTQ-UHFFFAOYSA-N 1 1 386.443 4.429 20 0 GIADMO COc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1OC(C)C ZINC000184190227 822593399 /nfs/dbraw/zinc/59/33/99/822593399.db2.gz IKQFONRIYSQDSV-QGZVFWFLSA-N 1 1 377.529 4.116 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CSc2ccccc21 ZINC000455128484 822593480 /nfs/dbraw/zinc/59/34/80/822593480.db2.gz UFQWIHOHEOCGQD-PMACEKPBSA-N 1 1 395.572 4.039 20 0 GIADMO C[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ncc(Br)s1 ZINC000180010512 822595781 /nfs/dbraw/zinc/59/57/81/822595781.db2.gz RAHJDFRJMPILFG-RYUDHWBXSA-N 1 1 375.332 4.022 20 0 GIADMO COc1cc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1F ZINC000455166293 822600639 /nfs/dbraw/zinc/60/06/39/822600639.db2.gz SUEDEFSIEKSVHI-MRXNPFEDSA-N 1 1 385.483 4.129 20 0 GIADMO Cc1[nH]c2ccccc2c1CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715830 822603218 /nfs/dbraw/zinc/60/32/18/822603218.db2.gz AEWJKMBVVUWIBZ-UHFFFAOYSA-N 1 1 397.469 4.078 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1Br ZINC000455190264 822604524 /nfs/dbraw/zinc/60/45/24/822604524.db2.gz HDUVZMDXSOMYKQ-GOSISDBHSA-N 1 1 380.330 4.016 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1ccco1 ZINC000047792484 822609478 /nfs/dbraw/zinc/60/94/78/822609478.db2.gz XCZKYNFLZSRLPZ-GJZGRUSLSA-N 1 1 379.913 4.072 20 0 GIADMO CCOc1cccc2cc([C@H](C)NC(=O)NC[C@H](c3ccco3)[NH+](C)C)oc21 ZINC000047792285 822609511 /nfs/dbraw/zinc/60/95/11/822609511.db2.gz MCBXVXNLMMJAAS-GOEBONIOSA-N 1 1 385.464 4.088 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCSc2ccc(Cl)cc21)c1ccco1 ZINC000047792485 822609544 /nfs/dbraw/zinc/60/95/44/822609544.db2.gz XCZKYNFLZSRLPZ-LSDHHAIUSA-N 1 1 379.913 4.072 20 0 GIADMO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797397 822609717 /nfs/dbraw/zinc/60/97/17/822609717.db2.gz SWYKDIAOVWNDJL-YJBOKZPZSA-N 1 1 392.490 4.039 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@@H](C)c2nccs2)cs1)c1ccc(F)cc1 ZINC000184292457 822609794 /nfs/dbraw/zinc/60/97/94/822609794.db2.gz VXDMIELCTBFUCC-GFCCVEGCSA-N 1 1 390.509 4.317 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)n2C)ccc1OCC(C)C ZINC000180087001 822612367 /nfs/dbraw/zinc/61/23/67/822612367.db2.gz CFLYZBVJBMOIBG-QGZVFWFLSA-N 1 1 394.519 4.376 20 0 GIADMO C[NH+](C)CCNC(=O)c1cccc(CN[C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000180086813 822612514 /nfs/dbraw/zinc/61/25/14/822612514.db2.gz SMQZMRKEXAOKGW-HSZRJFAPSA-N 1 1 397.538 4.138 20 0 GIADMO CC[C@@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCO1 ZINC000180124153 822620286 /nfs/dbraw/zinc/62/02/86/822620286.db2.gz XCOYIUBDZJHZAT-DOTOQJQBSA-N 1 1 399.362 4.279 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)C1 ZINC000180131625 822622436 /nfs/dbraw/zinc/62/24/36/822622436.db2.gz CBRCMVQAKPLLCX-MRXNPFEDSA-N 1 1 389.931 4.030 20 0 GIADMO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nc(C)cs1 ZINC000184367305 822623081 /nfs/dbraw/zinc/62/30/81/822623081.db2.gz HTIORWKEVGCMMP-KRWDZBQOSA-N 1 1 380.579 4.264 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1nc(C)cs1 ZINC000184368328 822623288 /nfs/dbraw/zinc/62/32/88/822623288.db2.gz IXVXJKSYUOHGLG-OAHLLOKOSA-N 1 1 386.348 4.458 20 0 GIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc(-c4ncn(C)n4)cc3)c2C1 ZINC000180142564 822625090 /nfs/dbraw/zinc/62/50/90/822625090.db2.gz NYIWUZRRGGKRGA-UHFFFAOYSA-N 1 1 389.503 4.096 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1nc(C)cs1 ZINC000184381488 822625388 /nfs/dbraw/zinc/62/53/88/822625388.db2.gz CLNXPSLYBXICPT-LBPRGKRZSA-N 1 1 386.290 4.033 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000180143151 822625430 /nfs/dbraw/zinc/62/54/30/822625430.db2.gz SUFRDULDEFOXFX-AWEZNQCLSA-N 1 1 380.583 4.061 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000180143151 822625435 /nfs/dbraw/zinc/62/54/35/822625435.db2.gz SUFRDULDEFOXFX-AWEZNQCLSA-N 1 1 380.583 4.061 20 0 GIADMO CC1CCN(c2ccc(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)cn2)CC1 ZINC000180143940 822625577 /nfs/dbraw/zinc/62/55/77/822625577.db2.gz MRFHFSNFMLIDER-HSZRJFAPSA-N 1 1 393.510 4.070 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2Br)[C@@H]1c1ccccc1 ZINC000180144443 822625692 /nfs/dbraw/zinc/62/56/92/822625692.db2.gz XCUCJCQUDMNQRG-SJORKVTESA-N 1 1 393.712 4.278 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CC1 ZINC000455287109 822627723 /nfs/dbraw/zinc/62/77/23/822627723.db2.gz VWUCOWOMLNDEEA-OAHLLOKOSA-N 1 1 395.828 4.256 20 0 GIADMO Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000048075682 822629548 /nfs/dbraw/zinc/62/95/48/822629548.db2.gz JASQOQDLUMOOID-UHFFFAOYSA-N 1 1 383.540 4.073 20 0 GIADMO Cc1nc(CCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)oc1-c1ccccc1 ZINC000180165356 822630608 /nfs/dbraw/zinc/63/06/08/822630608.db2.gz FTCFDKYGHWAWJF-NFBKMPQASA-N 1 1 389.499 4.144 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2ncoc2-c2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000180166853 822631071 /nfs/dbraw/zinc/63/10/71/822631071.db2.gz YPOKQEMWYMWKOQ-HKUYNNGSSA-N 1 1 381.863 4.170 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1nc(C)cs1 ZINC000184420386 822632029 /nfs/dbraw/zinc/63/20/29/822632029.db2.gz MDGMEDIHNWGNAV-OAHLLOKOSA-N 1 1 387.505 4.172 20 0 GIADMO COc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC1CCCC1 ZINC000184427901 822633141 /nfs/dbraw/zinc/63/31/41/822633141.db2.gz HFLOPUYDOGXRQI-RXVVDRJESA-N 1 1 398.547 4.106 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000184428075 822633145 /nfs/dbraw/zinc/63/31/45/822633145.db2.gz FWVQAGHBWNAXLG-QFIPXVFZSA-N 1 1 392.543 4.329 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000184428093 822633161 /nfs/dbraw/zinc/63/31/61/822633161.db2.gz FWVQAGHBWNAXLG-JOCHJYFZSA-N 1 1 392.543 4.329 20 0 GIADMO CCN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H](C)c1cccnc1 ZINC000455323321 822634173 /nfs/dbraw/zinc/63/41/73/822634173.db2.gz CVUWOECLZOVVPV-LJQANCHMSA-N 1 1 380.536 4.229 20 0 GIADMO CN(Cc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000455334323 822636226 /nfs/dbraw/zinc/63/62/26/822636226.db2.gz ZVABCOLBLWWOCZ-DEOSSOPVSA-N 1 1 392.547 4.273 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c(C)c1 ZINC000048143204 822638674 /nfs/dbraw/zinc/63/86/74/822638674.db2.gz FCJGYUOSSIXVHC-UHFFFAOYSA-N 1 1 397.519 4.142 20 0 GIADMO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1nc2ccc(Cl)cc2n1C ZINC000180209722 822640079 /nfs/dbraw/zinc/64/00/79/822640079.db2.gz VENOEMSUQKQAGP-KXBFYZLASA-N 1 1 396.922 4.069 20 0 GIADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1Cl ZINC000048163449 822641325 /nfs/dbraw/zinc/64/13/25/822641325.db2.gz XRKXVZWGUUSLOK-HNNXBMFYSA-N 1 1 393.712 4.107 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000048162784 822641338 /nfs/dbraw/zinc/64/13/38/822641338.db2.gz XQHZVIGXEUKXST-UHFFFAOYSA-N 1 1 382.439 4.121 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000048182953 822642844 /nfs/dbraw/zinc/64/28/44/822642844.db2.gz VXMIVUTWAGGRSB-VQIMIIECSA-N 1 1 388.533 4.112 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184488383 822644548 /nfs/dbraw/zinc/64/45/48/822644548.db2.gz SNVHIXVFZNJSPR-QZTJIDSGSA-N 1 1 388.552 4.192 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184488383 822644549 /nfs/dbraw/zinc/64/45/49/822644549.db2.gz SNVHIXVFZNJSPR-QZTJIDSGSA-N 1 1 388.552 4.192 20 0 GIADMO CCC[N@@H+](CCc1cccs1)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000184504267 822646770 /nfs/dbraw/zinc/64/67/70/822646770.db2.gz ZEHQQHRRGOEZAW-HXUWFJFHSA-N 1 1 399.585 4.365 20 0 GIADMO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180245485 822647496 /nfs/dbraw/zinc/64/74/96/822647496.db2.gz GAJVJQVTCLAULE-JWQCQUIFSA-N 1 1 378.560 4.176 20 0 GIADMO COC[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1ccccc1 ZINC000180248733 822647924 /nfs/dbraw/zinc/64/79/24/822647924.db2.gz UMRCIHIYVVBBIC-KRWDZBQOSA-N 1 1 392.293 4.088 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)C2)C1 ZINC000455408174 822648092 /nfs/dbraw/zinc/64/80/92/822648092.db2.gz JVLQNQJFJFSTGJ-GOSISDBHSA-N 1 1 376.913 4.023 20 0 GIADMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(Cl)cc3Cl)ccc2NC1=O ZINC000180259349 822649842 /nfs/dbraw/zinc/64/98/42/822649842.db2.gz ZUABDFITAKFJRG-HWPZZCPQSA-N 1 1 380.275 4.349 20 0 GIADMO COc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184524450 822650879 /nfs/dbraw/zinc/65/08/79/822650879.db2.gz FTPSTNPFWITRAP-INIZCTEOSA-N 1 1 395.528 4.128 20 0 GIADMO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455426028 822651455 /nfs/dbraw/zinc/65/14/55/822651455.db2.gz ZDDZPUGYDJRFHX-UFYCRDLUSA-N 1 1 391.506 4.118 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000180270985 822651942 /nfs/dbraw/zinc/65/19/42/822651942.db2.gz LMQNHWNKAYAJBT-UHFFFAOYSA-N 1 1 395.551 4.073 20 0 GIADMO COC[C@H]([NH2+]Cc1ccc(Br)c2cccnc12)c1ccc(C)o1 ZINC000180274719 822652570 /nfs/dbraw/zinc/65/25/70/822652570.db2.gz LANJZGRNCQMNNX-INIZCTEOSA-N 1 1 375.266 4.376 20 0 GIADMO CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000180277178 822653084 /nfs/dbraw/zinc/65/30/84/822653084.db2.gz DXUIZRHOXUUTOK-QHCPKHFHSA-N 1 1 390.531 4.065 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1OC ZINC000184537968 822653545 /nfs/dbraw/zinc/65/35/45/822653545.db2.gz DOJHMISEHGWPJI-CQSZACIVSA-N 1 1 397.500 4.117 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCSCc1ccccn1 ZINC000048323454 822653661 /nfs/dbraw/zinc/65/36/61/822653661.db2.gz FBIIRCDILPKMRA-LJQANCHMSA-N 1 1 397.588 4.396 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)C1 ZINC000180302588 822660164 /nfs/dbraw/zinc/66/01/64/822660164.db2.gz DYQQMTVYAKJZBF-MRXNPFEDSA-N 1 1 393.491 4.085 20 0 GIADMO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455470510 822660865 /nfs/dbraw/zinc/66/08/65/822660865.db2.gz HJKUZWILDARMOB-MGLUKCQKSA-N 1 1 383.458 4.122 20 0 GIADMO C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455471394 822661106 /nfs/dbraw/zinc/66/11/06/822661106.db2.gz IHMVGMXNXZPMMI-PRTUASRFSA-N 1 1 382.335 4.247 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c2ccc(F)cc2)cn1 ZINC000184588487 822662160 /nfs/dbraw/zinc/66/21/60/822662160.db2.gz IBWXDGIDHJQHKI-OAQYLSRUSA-N 1 1 395.478 4.394 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(Br)s2)c2ccc(F)cc2)cn1 ZINC000184601413 822664083 /nfs/dbraw/zinc/66/40/83/822664083.db2.gz DHGHMSRFTMZJNH-MRXNPFEDSA-N 1 1 380.286 4.262 20 0 GIADMO Cc1cc(Br)cc(C)c1NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000048463502 822664374 /nfs/dbraw/zinc/66/43/74/822664374.db2.gz QEWBUQXXMMRIEC-AWEZNQCLSA-N 1 1 380.286 4.083 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(OCC#N)c1 ZINC000048509300 822668837 /nfs/dbraw/zinc/66/88/37/822668837.db2.gz KZMMHTHOFGUULZ-GOSISDBHSA-N 1 1 392.503 4.285 20 0 GIADMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cc(=O)n4cc(Cl)ccc4n3)oc21 ZINC000180356357 822669451 /nfs/dbraw/zinc/66/94/51/822669451.db2.gz RZKIPOOEPOSKQR-CYBMUJFWSA-N 1 1 397.862 4.344 20 0 GIADMO CCC[C@H]1CN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)CC[N@H+]1CCOC ZINC000455518492 822669742 /nfs/dbraw/zinc/66/97/42/822669742.db2.gz WMOTZYOGGLFPNG-NRFANRHFSA-N 1 1 396.535 4.022 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000184662993 822672456 /nfs/dbraw/zinc/67/24/56/822672456.db2.gz HUWOKULADYQIQC-UHFFFAOYSA-N 1 1 387.487 4.463 20 0 GIADMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CCc3ccc4[nH]ccc4c3)CC2)c1 ZINC000180389759 822674507 /nfs/dbraw/zinc/67/45/07/822674507.db2.gz VANYYBHODQFPSL-SFHVURJKSA-N 1 1 391.515 4.015 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccccc2)c(SC)cc1OC ZINC000180404554 822676257 /nfs/dbraw/zinc/67/62/57/822676257.db2.gz FQKVFJKLWPUSQU-UHFFFAOYSA-N 1 1 397.544 4.458 20 0 GIADMO CC(C)Sc1cc(Br)ccc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000180416524 822678053 /nfs/dbraw/zinc/67/80/53/822678053.db2.gz DCKPMUCORISMAT-UHFFFAOYSA-N 1 1 399.398 4.250 20 0 GIADMO Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000048691842 822678384 /nfs/dbraw/zinc/67/83/84/822678384.db2.gz JHQXPGGUQYWYAX-UHFFFAOYSA-N 1 1 393.531 4.014 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc2ccccc2nc1C ZINC000455584815 822678546 /nfs/dbraw/zinc/67/85/46/822678546.db2.gz ZQRHFQRRUOIKMS-NRFANRHFSA-N 1 1 388.515 4.065 20 0 GIADMO COCc1cccc(C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)c1 ZINC000048714001 822679472 /nfs/dbraw/zinc/67/94/72/822679472.db2.gz VXCFEEJYGMAJEY-UHFFFAOYSA-N 1 1 387.886 4.469 20 0 GIADMO CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2SC(C)C)CC1 ZINC000180426138 822679622 /nfs/dbraw/zinc/67/96/22/822679622.db2.gz RSMOLZKFLRMGQC-UHFFFAOYSA-N 1 1 385.371 4.050 20 0 GIADMO CCc1nc([C@@H](C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)cs1 ZINC000184715065 822680814 /nfs/dbraw/zinc/68/08/14/822680814.db2.gz ZFVVXVAFCSWDTN-PWSUYJOCSA-N 1 1 375.321 4.103 20 0 GIADMO CC[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccccc1OCC(=O)NC ZINC000048750082 822681171 /nfs/dbraw/zinc/68/11/71/822681171.db2.gz YMSGONNBZJOXND-INIZCTEOSA-N 1 1 381.303 4.359 20 0 GIADMO CC[C@H]([NH2+]Cc1cc(-c2cnn(C)c2C)no1)c1ccccc1OC(F)F ZINC000184718420 822681410 /nfs/dbraw/zinc/68/14/10/822681410.db2.gz CPDFOFOYGIYRAO-INIZCTEOSA-N 1 1 376.407 4.226 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000455600472 822681922 /nfs/dbraw/zinc/68/19/22/822681922.db2.gz BNZWXPUNLAAXCN-QGZVFWFLSA-N 1 1 397.485 4.469 20 0 GIADMO CCOc1ccc(Oc2cc(C[NH2+]Cc3cccc4c3OCO4)ccn2)cc1 ZINC000048777966 822682446 /nfs/dbraw/zinc/68/24/46/822682446.db2.gz NYGSDBSTEVUABE-UHFFFAOYSA-N 1 1 378.428 4.291 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H](c1ccccc1)C(F)F ZINC000455603245 822682518 /nfs/dbraw/zinc/68/25/18/822682518.db2.gz SFMUYDGWYNURLH-CRAIPNDOSA-N 1 1 393.503 4.266 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1)C1CC1 ZINC000455603592 822682757 /nfs/dbraw/zinc/68/27/57/822682757.db2.gz FXMNWNYNKQKAAY-QGZVFWFLSA-N 1 1 393.959 4.015 20 0 GIADMO O=C(Nc1cccc(C[NH2+]Cc2cccc3c2OCO3)c1)c1cccc(F)c1 ZINC000048781558 822683077 /nfs/dbraw/zinc/68/30/77/822683077.db2.gz KIYNNNCWRDYSAO-UHFFFAOYSA-N 1 1 378.403 4.097 20 0 GIADMO C[C@@H](c1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1)[NH+]1CCOCC1 ZINC000180446451 822683557 /nfs/dbraw/zinc/68/35/57/822683557.db2.gz CMQCKLDTIPMLRN-KRWDZBQOSA-N 1 1 377.488 4.132 20 0 GIADMO COCc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000048828235 822684938 /nfs/dbraw/zinc/68/49/38/822684938.db2.gz CHQPBAWRVJIWBH-LJQANCHMSA-N 1 1 395.547 4.064 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ncc(-c2ccccc2)o1 ZINC000048829732 822685139 /nfs/dbraw/zinc/68/51/39/822685139.db2.gz GWFIHRQVJBRHAW-UHFFFAOYSA-N 1 1 392.503 4.181 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1CSC ZINC000184750108 822685831 /nfs/dbraw/zinc/68/58/31/822685831.db2.gz MLUWCGCZJRDGQL-FQEVSTJZSA-N 1 1 398.576 4.463 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)CC[C@H]21 ZINC000455634304 822687519 /nfs/dbraw/zinc/68/75/19/822687519.db2.gz DWPVTYFOFRCWSG-BXUZGUMPSA-N 1 1 391.821 4.187 20 0 GIADMO Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000048943542 822688831 /nfs/dbraw/zinc/68/88/31/822688831.db2.gz KWKXCQYJJXVFJJ-UHFFFAOYSA-N 1 1 393.531 4.014 20 0 GIADMO CSCc1ccccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000184777393 822689442 /nfs/dbraw/zinc/68/94/42/822689442.db2.gz PDRLRHMEUQMHQJ-QGZVFWFLSA-N 1 1 399.560 4.092 20 0 GIADMO CSCc1ccccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000184777393 822689443 /nfs/dbraw/zinc/68/94/43/822689443.db2.gz PDRLRHMEUQMHQJ-QGZVFWFLSA-N 1 1 399.560 4.092 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455645114 822690097 /nfs/dbraw/zinc/69/00/97/822690097.db2.gz IXCJLAMVKSSZNT-ICSRJNTNSA-N 1 1 387.474 4.156 20 0 GIADMO C[C@@H](CNC(=O)NCc1cccc(COCc2ccco2)c1)[N@H+]1CCCC[C@H]1C ZINC000049038780 822691646 /nfs/dbraw/zinc/69/16/46/822691646.db2.gz AGBSSOQFCNCWDY-MOPGFXCFSA-N 1 1 399.535 4.059 20 0 GIADMO C[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180503226 822692221 /nfs/dbraw/zinc/69/22/21/822692221.db2.gz NWKYRKPTVVLGIH-UHFFFAOYSA-N 1 1 388.389 4.259 20 0 GIADMO C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180503226 822692222 /nfs/dbraw/zinc/69/22/22/822692222.db2.gz NWKYRKPTVVLGIH-UHFFFAOYSA-N 1 1 388.389 4.259 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000180507896 822693328 /nfs/dbraw/zinc/69/33/28/822693328.db2.gz OZUOSXMKJZFSCX-HKUYNNGSSA-N 1 1 383.517 4.235 20 0 GIADMO O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000455659683 822693682 /nfs/dbraw/zinc/69/36/82/822693682.db2.gz GXKCVCZHLCKVCF-HXUWFJFHSA-N 1 1 397.494 4.069 20 0 GIADMO O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000455659683 822693684 /nfs/dbraw/zinc/69/36/84/822693684.db2.gz GXKCVCZHLCKVCF-HXUWFJFHSA-N 1 1 397.494 4.069 20 0 GIADMO O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000455659682 822693729 /nfs/dbraw/zinc/69/37/29/822693729.db2.gz GXKCVCZHLCKVCF-FQEVSTJZSA-N 1 1 397.494 4.069 20 0 GIADMO O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000455659682 822693730 /nfs/dbraw/zinc/69/37/30/822693730.db2.gz GXKCVCZHLCKVCF-FQEVSTJZSA-N 1 1 397.494 4.069 20 0 GIADMO Cn1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c(-c2cccnc2)n1 ZINC000180510210 822693950 /nfs/dbraw/zinc/69/39/50/822693950.db2.gz PPRXPKSGCXRPDV-PKTZIBPZSA-N 1 1 390.531 4.350 20 0 GIADMO C[C@H](NC(=O)N[C@@H](c1ccccc1)C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455664199 822694701 /nfs/dbraw/zinc/69/47/01/822694701.db2.gz YFSRSUXRDUJDGJ-DBVUQKKJSA-N 1 1 387.474 4.203 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)nnn1-c1ccc(F)cc1 ZINC000180527639 822696485 /nfs/dbraw/zinc/69/64/85/822696485.db2.gz PRZPMVVRWJDQCZ-ZDUSSCGKSA-N 1 1 390.409 4.210 20 0 GIADMO C[C@H](CCNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000455674814 822697647 /nfs/dbraw/zinc/69/76/47/822697647.db2.gz PYKNSYVOHPDENS-WIYYLYMNSA-N 1 1 381.520 4.223 20 0 GIADMO Fc1cccc(Br)c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000180535202 822697848 /nfs/dbraw/zinc/69/78/48/822697848.db2.gz FXYLJHLSTQMXSZ-HNNXBMFYSA-N 1 1 386.305 4.138 20 0 GIADMO FC(F)(F)CC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)CC1CC1 ZINC000180537880 822698437 /nfs/dbraw/zinc/69/84/37/822698437.db2.gz JOGMLXCPYSIKNO-UHFFFAOYSA-N 1 1 381.398 4.012 20 0 GIADMO c1ccc(CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)[C@H]2CCOC2)cc1 ZINC000180539814 822698698 /nfs/dbraw/zinc/69/86/98/822698698.db2.gz HTRIUBMHQLKKPC-NRFANRHFSA-N 1 1 375.472 4.103 20 0 GIADMO CN(C)C1(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CCOCC1 ZINC000180543848 822699552 /nfs/dbraw/zinc/69/95/52/822699552.db2.gz VKVAXPINYGAYQG-HXUWFJFHSA-N 1 1 376.903 4.269 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)NCc1cccc(Cl)c1 ZINC000180551426 822700759 /nfs/dbraw/zinc/70/07/59/822700759.db2.gz YXJFLGZVKZXWKH-INIZCTEOSA-N 1 1 388.792 4.379 20 0 GIADMO CCCCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c(Cl)c1 ZINC000184866109 822703385 /nfs/dbraw/zinc/70/33/85/822703385.db2.gz KIKGTIXTGLAONS-UHFFFAOYSA-N 1 1 398.894 4.338 20 0 GIADMO Cc1ccccc1CCNC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180573294 822704615 /nfs/dbraw/zinc/70/46/15/822704615.db2.gz LUVSBZGUXXRGCA-SFHVURJKSA-N 1 1 382.401 4.076 20 0 GIADMO CCOc1cccc(CNC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180580895 822705948 /nfs/dbraw/zinc/70/59/48/822705948.db2.gz RAGSZPAOADETIY-GOSISDBHSA-N 1 1 398.400 4.124 20 0 GIADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000180591021 822707179 /nfs/dbraw/zinc/70/71/79/822707179.db2.gz WYFSWPRTEALPTI-OAHLLOKOSA-N 1 1 395.469 4.079 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccccc1OCCF ZINC000455708584 822709093 /nfs/dbraw/zinc/70/90/93/822709093.db2.gz AMWMJPPCWGUTLA-MRXNPFEDSA-N 1 1 391.512 4.130 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000049943972 822712042 /nfs/dbraw/zinc/71/20/42/822712042.db2.gz QVHLQHFPYMZLAF-SFHVURJKSA-N 1 1 399.516 4.209 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000049944387 822712163 /nfs/dbraw/zinc/71/21/63/822712163.db2.gz UMGXNBNXWUMLNA-CQSZACIVSA-N 1 1 391.830 4.068 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2OCCF)[C@H]1c1cccs1 ZINC000455720632 822713316 /nfs/dbraw/zinc/71/33/16/822713316.db2.gz GMPNFDISEYJMFE-KXBFYZLASA-N 1 1 391.512 4.301 20 0 GIADMO CSc1cccc(C)c1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000184939522 822716001 /nfs/dbraw/zinc/71/60/01/822716001.db2.gz SKKPLNUDOHIOPI-QGZVFWFLSA-N 1 1 399.560 4.259 20 0 GIADMO CSc1cccc(C)c1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000184939522 822716004 /nfs/dbraw/zinc/71/60/04/822716004.db2.gz SKKPLNUDOHIOPI-QGZVFWFLSA-N 1 1 399.560 4.259 20 0 GIADMO COc1c(Cl)cccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050059170 822716664 /nfs/dbraw/zinc/71/66/64/822716664.db2.gz GONVYKOAFZFSTG-CQSZACIVSA-N 1 1 393.940 4.444 20 0 GIADMO CCn1ncc2ccc(NC(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000050060386 822716852 /nfs/dbraw/zinc/71/68/52/822716852.db2.gz BPSNIGLJOAWLHU-MRXNPFEDSA-N 1 1 397.548 4.151 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)c(C)cc2Cl)[C@@H](C)C1 ZINC000455738138 822717414 /nfs/dbraw/zinc/71/74/14/822717414.db2.gz YSPYNOXHYWZCLQ-WMZOPIPTSA-N 1 1 381.948 4.215 20 0 GIADMO CSc1cccc(C)c1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000184952082 822717673 /nfs/dbraw/zinc/71/76/73/822717673.db2.gz FMQXXLPCKQVXML-LJQANCHMSA-N 1 1 383.561 4.403 20 0 GIADMO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184958739 822718556 /nfs/dbraw/zinc/71/85/56/822718556.db2.gz KTWYAKXLHSOSFB-VXGBXAGGSA-N 1 1 396.354 4.138 20 0 GIADMO CN(Cc1ccoc1)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000050121338 822719277 /nfs/dbraw/zinc/71/92/77/822719277.db2.gz HKTMDIRIGJSGKC-UHFFFAOYSA-N 1 1 395.425 4.104 20 0 GIADMO CC(C)CCOC1CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000184964651 822719347 /nfs/dbraw/zinc/71/93/47/822719347.db2.gz BYZWVVZFGZRUOA-GOSISDBHSA-N 1 1 388.321 4.149 20 0 GIADMO CCCn1ncc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000455761785 822721610 /nfs/dbraw/zinc/72/16/10/822721610.db2.gz ZCEWTDFAOZGDJV-PXNSSMCTSA-N 1 1 395.551 4.203 20 0 GIADMO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]3c3cccc(Br)c3)on2)cn1 ZINC000184985320 822721961 /nfs/dbraw/zinc/72/19/61/822721961.db2.gz IRYHTULYJFXNNV-SFHVURJKSA-N 1 1 387.281 4.175 20 0 GIADMO Cn1cc(-c2cc(C[N@H+]3CCC[C@H]3c3cccc(Br)c3)on2)cn1 ZINC000184985320 822721965 /nfs/dbraw/zinc/72/19/65/822721965.db2.gz IRYHTULYJFXNNV-SFHVURJKSA-N 1 1 387.281 4.175 20 0 GIADMO CC(F)(F)c1ccccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000455784401 822726211 /nfs/dbraw/zinc/72/62/11/822726211.db2.gz CGZNGLMMHGMSGE-UHFFFAOYSA-N 1 1 379.476 4.252 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3c4ccccc4CCC[C@@H]3C)CC2)cs1 ZINC000185027191 822726825 /nfs/dbraw/zinc/72/68/25/822726825.db2.gz BBCVDOVVGNAWTB-AOMKIAJQSA-N 1 1 397.588 4.493 20 0 GIADMO CCCCOc1ccc([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)cc1OC ZINC000185051604 822729643 /nfs/dbraw/zinc/72/96/43/822729643.db2.gz LIGWTLGAVMDFBH-OAHLLOKOSA-N 1 1 384.480 4.113 20 0 GIADMO O=C(c1cnc(-c2ccccc2Cl)s1)N1CC[NH+](C2CCCC2)CC1 ZINC000050560715 822733659 /nfs/dbraw/zinc/73/36/59/822733659.db2.gz CTJNVDAUXBVYOV-UHFFFAOYSA-N 1 1 375.925 4.164 20 0 GIADMO C[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1nc(-c2cccc(F)c2)no1 ZINC000185080926 822734220 /nfs/dbraw/zinc/73/42/20/822734220.db2.gz XOJXKSVCHQPCQA-ZBEGNZNMSA-N 1 1 395.356 4.279 20 0 GIADMO O=C(CCCOCc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050627661 822735052 /nfs/dbraw/zinc/73/50/52/822735052.db2.gz FMZLDSNAIRPXBK-QHCPKHFHSA-N 1 1 380.532 4.012 20 0 GIADMO CCSCc1ccc(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000455856843 822738014 /nfs/dbraw/zinc/73/80/14/822738014.db2.gz IVWUFXVTMCDGHT-FUHIMQAGSA-N 1 1 391.581 4.045 20 0 GIADMO CCSCc1ccc(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000455856843 822738017 /nfs/dbraw/zinc/73/80/17/822738017.db2.gz IVWUFXVTMCDGHT-FUHIMQAGSA-N 1 1 391.581 4.045 20 0 GIADMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000050995759 822743967 /nfs/dbraw/zinc/74/39/67/822743967.db2.gz BZTLSDDYRUJHJW-OAHLLOKOSA-N 1 1 377.941 4.202 20 0 GIADMO C[N@H+](Cc1ccccc1OC(F)(F)F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185156901 822744004 /nfs/dbraw/zinc/74/40/04/822744004.db2.gz LJHLCXBAFSSAKR-UHFFFAOYSA-N 1 1 386.458 4.302 20 0 GIADMO CC(C)n1cc(C[NH2+]Cc2cc(Br)ccc2Br)cn1 ZINC000185158034 822744140 /nfs/dbraw/zinc/74/41/40/822744140.db2.gz LTPDMTSDOYOAOL-UHFFFAOYSA-N 1 1 387.119 4.279 20 0 GIADMO CCSCc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000455896578 822744289 /nfs/dbraw/zinc/74/42/89/822744289.db2.gz OFRVQSWAFJVNMW-FPOVZHCZSA-N 1 1 398.576 4.491 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000051049318 822744876 /nfs/dbraw/zinc/74/48/76/822744876.db2.gz HAGONGMPAPOWOT-KNQAVFIVSA-N 1 1 395.547 4.177 20 0 GIADMO CCN(C(C)=O)c1nc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cs1 ZINC000051132950 822747188 /nfs/dbraw/zinc/74/71/88/822747188.db2.gz GHESQGQZJHYPHN-UYAOXDASSA-N 1 1 387.549 4.116 20 0 GIADMO CCN(C(C)=O)c1nc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cs1 ZINC000051132950 822747191 /nfs/dbraw/zinc/74/71/91/822747191.db2.gz GHESQGQZJHYPHN-UYAOXDASSA-N 1 1 387.549 4.116 20 0 GIADMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132872 822747275 /nfs/dbraw/zinc/74/72/75/822747275.db2.gz ZBRDMDBGAFDIJF-LDBYXDLTSA-N 1 1 388.458 4.392 20 0 GIADMO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)N2CCCC2)o1 ZINC000455919611 822749478 /nfs/dbraw/zinc/74/94/78/822749478.db2.gz LIAFBLXUWIVDHP-RTWAWAEBSA-N 1 1 396.535 4.096 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2scnc2C2CCCC2)CC1 ZINC000185216274 822750329 /nfs/dbraw/zinc/75/03/29/822750329.db2.gz ZUKOESQNNPZVRB-UHFFFAOYSA-N 1 1 393.597 4.011 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000455932836 822752156 /nfs/dbraw/zinc/75/21/56/822752156.db2.gz JTVQKUBMJZGGSV-UHFFFAOYSA-N 1 1 399.495 4.077 20 0 GIADMO COc1cc(C[N@H+](Cc2cn3c(cccc3C)n2)C2CC2)ccc1OC(F)F ZINC000051264787 822752648 /nfs/dbraw/zinc/75/26/48/822752648.db2.gz LBRGRFBIVCPECH-UHFFFAOYSA-N 1 1 387.430 4.417 20 0 GIADMO COc1cc(C[N@@H+](Cc2cn3c(cccc3C)n2)C2CC2)ccc1OC(F)F ZINC000051264787 822752649 /nfs/dbraw/zinc/75/26/49/822752649.db2.gz LBRGRFBIVCPECH-UHFFFAOYSA-N 1 1 387.430 4.417 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C2CC2)s1 ZINC000185272871 822757840 /nfs/dbraw/zinc/75/78/40/822757840.db2.gz SUVSKWDNPFCJLD-YCRPNKLZSA-N 1 1 383.561 4.248 20 0 GIADMO Cc1ccccc1C[N@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000051380919 822758219 /nfs/dbraw/zinc/75/82/19/822758219.db2.gz DTLIWRYYLLMIOO-UHFFFAOYSA-N 1 1 392.499 4.053 20 0 GIADMO Cc1ccccc1C[N@@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000051380919 822758221 /nfs/dbraw/zinc/75/82/21/822758221.db2.gz DTLIWRYYLLMIOO-UHFFFAOYSA-N 1 1 392.499 4.053 20 0 GIADMO Cc1ncc(C[N@@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000051408094 822758821 /nfs/dbraw/zinc/75/88/21/822758821.db2.gz CIMDZJSEYZLYGP-GMAHTHKFSA-N 1 1 396.556 4.359 20 0 GIADMO O=C(Nc1ccc2cnccc2c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455971732 822759352 /nfs/dbraw/zinc/75/93/52/822759352.db2.gz ODAZSLZIHDHIKM-FCHUYYIVSA-N 1 1 386.499 4.221 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000051454339 822760675 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388.777 4.301 20 0 GIADMO CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000185325924 822766361 /nfs/dbraw/zinc/76/63/61/822766361.db2.gz ILGWAGSDHGWBQI-WZONZLPQSA-N 1 1 393.531 4.449 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)s1 ZINC000185327676 822766709 /nfs/dbraw/zinc/76/67/09/822766709.db2.gz SIQCAMFYNIEXLZ-NHYWBVRUSA-N 1 1 399.438 4.418 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1 ZINC000185337744 822767984 /nfs/dbraw/zinc/76/79/84/822767984.db2.gz SVCXRPIRKFONCX-PZJWPPBQSA-N 1 1 399.560 4.255 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)s1 ZINC000185359444 822771049 /nfs/dbraw/zinc/77/10/49/822771049.db2.gz XZMZQVSSEXZGMN-MEBBXXQBSA-N 1 1 394.884 4.081 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185371290 822773805 /nfs/dbraw/zinc/77/38/05/822773805.db2.gz QZLQSNKHOIBMED-KRWDZBQOSA-N 1 1 379.913 4.101 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C2CC2)s1 ZINC000185376237 822774752 /nfs/dbraw/zinc/77/47/52/822774752.db2.gz RDYRCAUNPCKQTL-JKSUJKDBSA-N 1 1 379.888 4.090 20 0 GIADMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000051709736 822775678 /nfs/dbraw/zinc/77/56/78/822775678.db2.gz PAQZTRKCCFXNFY-IBGZPJMESA-N 1 1 392.499 4.306 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc3ccccc3n2)CC1 ZINC000174353337 822776798 /nfs/dbraw/zinc/77/67/98/822776798.db2.gz QHNHNCVCCOBHRT-SFHVURJKSA-N 1 1 392.522 4.367 20 0 GIADMO Cc1oc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)cc2c1C ZINC000185388980 822777066 /nfs/dbraw/zinc/77/70/66/822777066.db2.gz IFUFTFQCCVUHBL-JOCHJYFZSA-N 1 1 378.472 4.186 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3ccc(Cl)c4ccccc43)sc2n1 ZINC000185395611 822778274 /nfs/dbraw/zinc/77/82/74/822778274.db2.gz MJWUXBSOKBEPCQ-LBPRGKRZSA-N 1 1 384.892 4.117 20 0 GIADMO CCCCCNC(=O)C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000051801386 822779275 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COc1ccc(N(CC2CC2)C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000456182449 822786865 /nfs/dbraw/zinc/78/68/65/822786865.db2.gz SPRJSMMAHRXDEP-UHFFFAOYSA-N 1 1 398.413 4.270 20 0 GIADMO CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000185465333 822787509 /nfs/dbraw/zinc/78/75/09/822787509.db2.gz VGQMXRWEEQCSPB-SIKLNZKXSA-N 1 1 380.532 4.016 20 0 GIADMO O[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000174424038 822788243 /nfs/dbraw/zinc/78/82/43/822788243.db2.gz SNBPCQHPRRIHRC-LJQANCHMSA-N 1 1 379.331 4.281 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccccc2Oc2cccnc2)C1 ZINC000052027573 822788471 /nfs/dbraw/zinc/78/84/71/822788471.db2.gz ZXCHISXCTDDRNV-CEXWTWQISA-N 1 1 379.504 4.351 20 0 GIADMO C[C@@H]1CCN(Cc2csc(-c3ccccn3)n2)CC[N@H+]1Cc1ccccc1 ZINC000174434944 822789730 /nfs/dbraw/zinc/78/97/30/822789730.db2.gz GOBGXMJSUBIQQH-GOSISDBHSA-N 1 1 378.545 4.302 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3ccccc3CC(F)(F)F)CC2)[nH+]c1 ZINC000174439354 822790035 /nfs/dbraw/zinc/79/00/35/822790035.db2.gz QLVSJIYWMUACPI-UHFFFAOYSA-N 1 1 377.410 4.350 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3CCc3ccccc3)n2)c(OC)c1 ZINC000052106101 822790472 /nfs/dbraw/zinc/79/04/72/822790472.db2.gz WGIFHRQBSUJNHA-SFHVURJKSA-N 1 1 393.487 4.351 20 0 GIADMO O=C(c1cccc(F)c1)N1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185493850 822790449 /nfs/dbraw/zinc/79/04/49/822790449.db2.gz JMJQRTDPRWQERO-UHFFFAOYSA-N 1 1 386.433 4.342 20 0 GIADMO O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185495684 822790815 /nfs/dbraw/zinc/79/08/15/822790815.db2.gz RTWHOWYHPYFECA-QHCPKHFHSA-N 1 1 386.495 4.350 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000174448392 822791023 /nfs/dbraw/zinc/79/10/23/822791023.db2.gz FWFRWKQGIGXQAT-DNVCBOLYSA-N 1 1 395.494 4.039 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000456261139 822791110 /nfs/dbraw/zinc/79/11/10/822791110.db2.gz CNQQDXRQCCYCBA-HNNXBMFYSA-N 1 1 394.288 4.102 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000052153673 822791531 /nfs/dbraw/zinc/79/15/31/822791531.db2.gz KCNYGEPTWSISBQ-UHFFFAOYSA-N 1 1 381.288 4.052 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000052186774 822792738 /nfs/dbraw/zinc/79/27/38/822792738.db2.gz CXBRGMFZCSJKQT-UHFFFAOYSA-N 1 1 389.927 4.466 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)N[C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000052287418 822795590 /nfs/dbraw/zinc/79/55/90/822795590.db2.gz TWYWJLYVACGSDM-HXUWFJFHSA-N 1 1 382.533 4.465 20 0 GIADMO Cn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000052315018 822795955 /nfs/dbraw/zinc/79/59/55/822795955.db2.gz WRHARIDCOMTALW-HNNXBMFYSA-N 1 1 382.895 4.077 20 0 GIADMO Cn1c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)nc2cc(Cl)ccc21 ZINC000052315018 822795958 /nfs/dbraw/zinc/79/59/58/822795958.db2.gz WRHARIDCOMTALW-HNNXBMFYSA-N 1 1 382.895 4.077 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2nc3c(s2)CCCC3)[C@@H]1c1cccs1 ZINC000174502358 822797773 /nfs/dbraw/zinc/79/77/73/822797773.db2.gz ONMQAIAAFMBIGZ-SUMWQHHRSA-N 1 1 390.578 4.288 20 0 GIADMO COc1ccccc1[C@H](C)CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456318664 822797961 /nfs/dbraw/zinc/79/79/61/822797961.db2.gz BAUNZEAYYRMURL-WOJBJXKFSA-N 1 1 380.532 4.169 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc32)C1 ZINC000174504931 822798011 /nfs/dbraw/zinc/79/80/11/822798011.db2.gz IGDBHUWIJBCRMT-INIZCTEOSA-N 1 1 379.529 4.377 20 0 GIADMO CCc1nsc(N2CCC[N@@H+](Cc3cc(Cl)cc4cccnc43)CC2)n1 ZINC000174513111 822799480 /nfs/dbraw/zinc/79/94/80/822799480.db2.gz ZYLZXBZHAWBGDA-UHFFFAOYSA-N 1 1 387.940 4.014 20 0 GIADMO Cn1cc(-c2nc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)cs2)cn1 ZINC000052440190 822799759 /nfs/dbraw/zinc/79/97/59/822799759.db2.gz DOVPGMQUMHFRMP-UHFFFAOYSA-N 1 1 381.549 4.166 20 0 GIADMO Cn1cc(-c2nc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)cs2)cn1 ZINC000052440190 822799762 /nfs/dbraw/zinc/79/97/62/822799762.db2.gz DOVPGMQUMHFRMP-UHFFFAOYSA-N 1 1 381.549 4.166 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2ccc(-c3ccccc3)cc2Cl)C1 ZINC000174517961 822799965 /nfs/dbraw/zinc/79/99/65/822799965.db2.gz DLSCECQDZOALPJ-KRWDZBQOSA-N 1 1 386.923 4.186 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000174521614 822800333 /nfs/dbraw/zinc/80/03/33/822800333.db2.gz SZFWAHCVJPTGQY-HXUWFJFHSA-N 1 1 376.544 4.381 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000174521436 822800370 /nfs/dbraw/zinc/80/03/70/822800370.db2.gz PSFFWCLLBSWHPQ-LBPRGKRZSA-N 1 1 383.970 4.247 20 0 GIADMO C[C@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456353121 822801494 /nfs/dbraw/zinc/80/14/94/822801494.db2.gz ZDHVEAJSCNHGMS-GOSISDBHSA-N 1 1 394.563 4.110 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)NCc1cccc(O)c1)C1CCCCC1 ZINC000052559032 822803548 /nfs/dbraw/zinc/80/35/48/822803548.db2.gz GVDYXRFEEZIIQM-UHFFFAOYSA-N 1 1 381.520 4.156 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 ZINC000185623377 822803545 /nfs/dbraw/zinc/80/35/45/822803545.db2.gz LZWDRNJAULXEGV-KRWDZBQOSA-N 1 1 386.499 4.499 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(Br)cc1F ZINC000185639643 822805517 /nfs/dbraw/zinc/80/55/17/822805517.db2.gz CBVUIIWDPILRRT-UHFFFAOYSA-N 1 1 376.273 4.500 20 0 GIADMO CC(C)n1ncc2cc(C[NH+]3CCC(O)(c4ccccc4)CC3)c(Cl)nc21 ZINC000185640061 822805525 /nfs/dbraw/zinc/80/55/25/822805525.db2.gz ZTKWIGXCBOTUSU-UHFFFAOYSA-N 1 1 384.911 4.149 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC000185652785 822806997 /nfs/dbraw/zinc/80/69/97/822806997.db2.gz OPCAGWGPLCWNCE-LBPRGKRZSA-N 1 1 377.414 4.165 20 0 GIADMO CN(C(=O)c1cc(Cl)cc(Cl)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000185660759 822807787 /nfs/dbraw/zinc/80/77/87/822807787.db2.gz KPLNYRADZMFWRW-MRXNPFEDSA-N 1 1 378.303 4.125 20 0 GIADMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2csc(-c3cccs3)n2)cc1 ZINC000185666734 822808386 /nfs/dbraw/zinc/80/83/86/822808386.db2.gz HCMAICMZRPLPSE-ZDUSSCGKSA-N 1 1 388.514 4.274 20 0 GIADMO C[C@H](NCC(=O)N(Cc1ccco1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675549 822809087 /nfs/dbraw/zinc/80/90/87/822809087.db2.gz QJBMFTWZAKTGJO-PMACEKPBSA-N 1 1 395.547 4.055 20 0 GIADMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000052745634 822809150 /nfs/dbraw/zinc/80/91/50/822809150.db2.gz HERJVOZSRDNOLM-UHFFFAOYSA-N 1 1 387.321 4.152 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2cc(=O)n3cccc(C)c3n2)CC1 ZINC000174594099 822809539 /nfs/dbraw/zinc/80/95/39/822809539.db2.gz DILXYSXIMJCUCS-UHFFFAOYSA-N 1 1 384.483 4.082 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000052753492 822809706 /nfs/dbraw/zinc/80/97/06/822809706.db2.gz VCTZPQOPVNZTPC-SFHVURJKSA-N 1 1 380.488 4.227 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000174596592 822809986 /nfs/dbraw/zinc/80/99/86/822809986.db2.gz ICZFFABUGSOGHQ-UHFFFAOYSA-N 1 1 384.483 4.045 20 0 GIADMO Cc1ccc(OCc2nnc(SCC[N@H+](C)Cc3ccc(F)cc3)o2)cc1 ZINC000185687530 822810061 /nfs/dbraw/zinc/81/00/61/822810061.db2.gz CACLNLMUPWLRMT-UHFFFAOYSA-N 1 1 387.480 4.320 20 0 GIADMO CN1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 ZINC000174598313 822810190 /nfs/dbraw/zinc/81/01/90/822810190.db2.gz VKXORALDDXRONH-BRTIRZTQSA-N 1 1 387.531 4.039 20 0 GIADMO C[N@H+]1[C@@H]2CCC[C@H]1CC(NCc1cn(-c3ccccc3)nc1-c1ccncc1)C2 ZINC000174598313 822810193 /nfs/dbraw/zinc/81/01/93/822810193.db2.gz VKXORALDDXRONH-BRTIRZTQSA-N 1 1 387.531 4.039 20 0 GIADMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NCc1cn(-c3ccccc3)nc1-c1ccncc1)C2 ZINC000174598313 822810195 /nfs/dbraw/zinc/81/01/95/822810195.db2.gz VKXORALDDXRONH-BRTIRZTQSA-N 1 1 387.531 4.039 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1OC ZINC000052804308 822811216 /nfs/dbraw/zinc/81/12/16/822811216.db2.gz OZXICDIMRLDLSX-CRAIPNDOSA-N 1 1 388.533 4.170 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1OC ZINC000052804308 822811219 /nfs/dbraw/zinc/81/12/19/822811219.db2.gz OZXICDIMRLDLSX-CRAIPNDOSA-N 1 1 388.533 4.170 20 0 GIADMO C[C@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699581 822811370 /nfs/dbraw/zinc/81/13/70/822811370.db2.gz NIWIGURLXJYGET-OALUTQOASA-N 1 1 378.564 4.104 20 0 GIADMO CCc1cc2c(CNCc3ccccc3C[NH+](CC)CC)cc(=O)oc2cc1O ZINC000052816764 822811566 /nfs/dbraw/zinc/81/15/66/822811566.db2.gz PLGORJUREOTYLV-UHFFFAOYSA-N 1 1 394.515 4.193 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000052829888 822812511 /nfs/dbraw/zinc/81/25/11/822812511.db2.gz YHCFMFSFWANAIZ-OAHLLOKOSA-N 1 1 398.869 4.273 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1cccc(Cl)c1 ZINC000174613901 822812670 /nfs/dbraw/zinc/81/26/70/822812670.db2.gz IXYNRCALQUMFMY-HXUWFJFHSA-N 1 1 385.939 4.046 20 0 GIADMO O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000456543346 822814422 /nfs/dbraw/zinc/81/44/22/822814422.db2.gz PXBZQZRLESQIOX-AABGKKOBSA-N 1 1 384.545 4.139 20 0 GIADMO CCOc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000174631852 822814784 /nfs/dbraw/zinc/81/47/84/822814784.db2.gz USRNSMWRWSFZIO-HSZRJFAPSA-N 1 1 395.524 4.368 20 0 GIADMO Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1F ZINC000174631880 822814876 /nfs/dbraw/zinc/81/48/76/822814876.db2.gz FZKNGCYVNBHALS-JOCHJYFZSA-N 1 1 383.488 4.417 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C)cc2)cc1Cl ZINC000052907635 822814953 /nfs/dbraw/zinc/81/49/53/822814953.db2.gz CVBBWOHEJKYLTN-CQSZACIVSA-N 1 1 376.884 4.297 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2)cc1Cl ZINC000052907635 822814956 /nfs/dbraw/zinc/81/49/56/822814956.db2.gz CVBBWOHEJKYLTN-CQSZACIVSA-N 1 1 376.884 4.297 20 0 GIADMO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)o2)c1 ZINC000052909484 822815092 /nfs/dbraw/zinc/81/50/92/822815092.db2.gz GIJRBKCZBQMXQK-OAHLLOKOSA-N 1 1 386.496 4.095 20 0 GIADMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456552216 822815415 /nfs/dbraw/zinc/81/54/15/822815415.db2.gz DOGNSODQDMPEFJ-WIYYLYMNSA-N 1 1 382.479 4.385 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nc(C2CC2)cs1 ZINC000174656236 822819026 /nfs/dbraw/zinc/81/90/26/822819026.db2.gz BGOUMOIIGUAWJH-KRWDZBQOSA-N 1 1 384.549 4.396 20 0 GIADMO O=c1[nH]c(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)nc2c3ccccc3oc21 ZINC000053076174 822820462 /nfs/dbraw/zinc/82/04/62/822820462.db2.gz ACTUGIWBRNOQTL-MRXNPFEDSA-N 1 1 377.419 4.016 20 0 GIADMO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)nc2c3ccccc3oc21 ZINC000053076174 822820463 /nfs/dbraw/zinc/82/04/63/822820463.db2.gz ACTUGIWBRNOQTL-MRXNPFEDSA-N 1 1 377.419 4.016 20 0 GIADMO COc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccccc2)c(OC)cc1Cl ZINC000174663828 822820530 /nfs/dbraw/zinc/82/05/30/822820530.db2.gz BRXLILYRNKNATG-AWEZNQCLSA-N 1 1 376.884 4.379 20 0 GIADMO COCCOc1ccccc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000053086522 822821133 /nfs/dbraw/zinc/82/11/33/822821133.db2.gz IQUVQGUXFDFGHY-UHFFFAOYSA-N 1 1 393.487 4.332 20 0 GIADMO C[NH+](C)[C@@H](CNc1ncccc1C(=O)N1CCCCC1)c1ccccc1Cl ZINC000174672220 822821580 /nfs/dbraw/zinc/82/15/80/822821580.db2.gz CSMWMFPWMWBDTB-IBGZPJMESA-N 1 1 386.927 4.076 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1 ZINC000053119964 822822667 /nfs/dbraw/zinc/82/26/67/822822667.db2.gz GRRPHADEEQPBPY-UHFFFAOYSA-N 1 1 395.547 4.245 20 0 GIADMO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000185807492 822823082 /nfs/dbraw/zinc/82/30/82/822823082.db2.gz XRWWCRDTNLSLPX-PKOBYXMFSA-N 1 1 392.590 4.450 20 0 GIADMO C[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1ccccc1N1CCCC1 ZINC000053143845 822823360 /nfs/dbraw/zinc/82/33/60/822823360.db2.gz URKXCRPJGNTHRM-UHFFFAOYSA-N 1 1 382.533 4.463 20 0 GIADMO Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000174696351 822824738 /nfs/dbraw/zinc/82/47/38/822824738.db2.gz FGIMQSVDZXBDQK-HXUWFJFHSA-N 1 1 391.519 4.466 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000053180361 822824900 /nfs/dbraw/zinc/82/49/00/822824900.db2.gz WLJHUAAAPAHNDJ-ZDUSSCGKSA-N 1 1 386.908 4.026 20 0 GIADMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000185864993 822828289 /nfs/dbraw/zinc/82/82/89/822828289.db2.gz ZTMFIMMXXBWYRJ-INIZCTEOSA-N 1 1 395.469 4.081 20 0 GIADMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000053279659 822828827 /nfs/dbraw/zinc/82/88/27/822828827.db2.gz ZQXOYMPTTYBFFR-TZIWHRDSSA-N 1 1 382.467 4.369 20 0 GIADMO O=C(CC1(O)CCCCC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000174729319 822829431 /nfs/dbraw/zinc/82/94/31/822829431.db2.gz JMCLERRGRBNCCN-UHFFFAOYSA-N 1 1 399.362 4.159 20 0 GIADMO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cccnc1 ZINC000174729509 822829543 /nfs/dbraw/zinc/82/95/43/822829543.db2.gz UKRKZUXZBWIBRU-CQSZACIVSA-N 1 1 392.330 4.273 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000185879731 822829682 /nfs/dbraw/zinc/82/96/82/822829682.db2.gz DWSSOBAPRGLANY-MRXNPFEDSA-N 1 1 377.985 4.184 20 0 GIADMO COc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cc1ccccc1 ZINC000174745095 822831456 /nfs/dbraw/zinc/83/14/56/822831456.db2.gz RYFPYEBADJWMJK-UTKZUKDTSA-N 1 1 381.520 4.232 20 0 GIADMO Cc1c(Br)scc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185903470 822831792 /nfs/dbraw/zinc/83/17/92/822831792.db2.gz QCYJDYATFYAFCV-CHWSQXEVSA-N 1 1 385.371 4.202 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)c3ccc(Cl)cc3C(F)(F)F)CC2)[nH+]1 ZINC000185911176 822832608 /nfs/dbraw/zinc/83/26/08/822832608.db2.gz SUWOQRGXQCFZGO-UHFFFAOYSA-N 1 1 397.828 4.461 20 0 GIADMO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C)cc1C)c1nc(C(F)(F)F)cs1 ZINC000185919686 822833568 /nfs/dbraw/zinc/83/35/68/822833568.db2.gz ZQNYWGCBYZSPNV-ZIAGYGMSSA-N 1 1 388.455 4.259 20 0 GIADMO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nc(C)cs1 ZINC000174763261 822834054 /nfs/dbraw/zinc/83/40/54/822834054.db2.gz IVJMNXFWAQMHBZ-VYDXJSESSA-N 1 1 392.594 4.346 20 0 GIADMO C[C@H](c1cccs1)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000053429108 822834905 /nfs/dbraw/zinc/83/49/05/822834905.db2.gz TWSXAGPCARTMBR-CYBMUJFWSA-N 1 1 381.339 4.162 20 0 GIADMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000053429108 822834906 /nfs/dbraw/zinc/83/49/06/822834906.db2.gz TWSXAGPCARTMBR-CYBMUJFWSA-N 1 1 381.339 4.162 20 0 GIADMO CC(C)COc1ccc(C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000174786583 822836796 /nfs/dbraw/zinc/83/67/96/822836796.db2.gz FSOZMNJGOPLFOO-UYAOXDASSA-N 1 1 389.584 4.123 20 0 GIADMO CC[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1nc(C(F)(F)F)cs1 ZINC000185965346 822838517 /nfs/dbraw/zinc/83/85/17/822838517.db2.gz AQDANKAVPPZRGG-WCQYABFASA-N 1 1 399.438 4.124 20 0 GIADMO Cc1csc([C@@H](NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C2CC2)n1 ZINC000174797970 822838532 /nfs/dbraw/zinc/83/85/32/822838532.db2.gz BYVVSLLIPWUVPV-IBGZPJMESA-N 1 1 398.576 4.039 20 0 GIADMO Cc1cnc([C@@H](NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C2CC2)s1 ZINC000174798311 822838557 /nfs/dbraw/zinc/83/85/57/822838557.db2.gz IOLXSVFOXMGIHD-IBGZPJMESA-N 1 1 398.576 4.039 20 0 GIADMO CCCCc1ccc(NC(=S)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000053522350 822838584 /nfs/dbraw/zinc/83/85/84/822838584.db2.gz ZOOGXGYVZRGNOH-UHFFFAOYSA-N 1 1 379.533 4.405 20 0 GIADMO S=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccc(Cl)cc1Cl ZINC000053527585 822839112 /nfs/dbraw/zinc/83/91/12/822839112.db2.gz QYXRRCJKEOJTPB-UHFFFAOYSA-N 1 1 386.373 4.400 20 0 GIADMO S=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccc(Cl)cc1Cl ZINC000053527585 822839114 /nfs/dbraw/zinc/83/91/14/822839114.db2.gz QYXRRCJKEOJTPB-UHFFFAOYSA-N 1 1 386.373 4.400 20 0 GIADMO O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000456871631 822839399 /nfs/dbraw/zinc/83/93/99/822839399.db2.gz OESDTVAZWCGFRW-YFVAEKQCSA-N 1 1 390.955 4.126 20 0 GIADMO CC[NH+](CC)[C@@H](C(=O)Nc1cccc(CCO)c1)c1cccc(C(F)(F)F)c1 ZINC000456908394 822841150 /nfs/dbraw/zinc/84/11/50/822841150.db2.gz DMQVNVXIYNABKL-LJQANCHMSA-N 1 1 394.437 4.262 20 0 GIADMO CN(C)c1ccccc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174824573 822842384 /nfs/dbraw/zinc/84/23/84/822842384.db2.gz ZYGYSQSFBXPDBR-UHFFFAOYSA-N 1 1 392.503 4.299 20 0 GIADMO CN(C)c1ccccc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174824573 822842387 /nfs/dbraw/zinc/84/23/87/822842387.db2.gz ZYGYSQSFBXPDBR-UHFFFAOYSA-N 1 1 392.503 4.299 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)cc3OC(F)F)CC2)[nH+]c1 ZINC000186014339 822843955 /nfs/dbraw/zinc/84/39/55/822843955.db2.gz XHUDLIZSBHGRRF-UHFFFAOYSA-N 1 1 395.837 4.500 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000053720411 822846039 /nfs/dbraw/zinc/84/60/39/822846039.db2.gz JLMPFBBPZWSVHS-INIZCTEOSA-N 1 1 377.488 4.198 20 0 GIADMO COc1ccc([C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c2ccco2)cc1 ZINC000457014134 822846244 /nfs/dbraw/zinc/84/62/44/822846244.db2.gz WOLWVMCYCHQDEN-HTAPYJJXSA-N 1 1 378.472 4.014 20 0 GIADMO CCCc1noc(CCCC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000053722257 822846293 /nfs/dbraw/zinc/84/62/93/822846293.db2.gz CEVZZYQEQLNOLF-KRWDZBQOSA-N 1 1 384.524 4.358 20 0 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1 383.467 4.023 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-c2ccncc2)cc1 ZINC000186229029 822862854 /nfs/dbraw/zinc/86/28/54/822862854.db2.gz AAIGNVIGYIAVRZ-HRAATJIYSA-N 1 1 378.497 4.318 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)c1scnc1Cl)C1CCCCC1 ZINC000054138506 822863898 /nfs/dbraw/zinc/86/38/98/822863898.db2.gz MUGOSESAHXHVRC-UHFFFAOYSA-N 1 1 377.941 4.491 20 0 GIADMO CC(C)n1c(-c2ccccn2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000568959826 822865185 /nfs/dbraw/zinc/86/51/85/822865185.db2.gz LWKWYSYREGRJHX-RBUKOAKNSA-N 1 1 382.556 4.012 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)c1ccccc1 ZINC000174997039 822865471 /nfs/dbraw/zinc/86/54/71/822865471.db2.gz SZZDOHOPRDHVLD-NRFANRHFSA-N 1 1 379.548 4.128 20 0 GIADMO O[C@H](COc1ccc(Sc2ccncc2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000568963966 822865669 /nfs/dbraw/zinc/86/56/69/822865669.db2.gz KMAWDUXDJDGFAT-FQEVSTJZSA-N 1 1 392.524 4.031 20 0 GIADMO CCOc1ccc(Oc2cc(C[NH2+]Cc3cccc4c3OCCO4)ccn2)cc1 ZINC000054176057 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ZSIZQQCWRAWQFT-VQIMIIECSA-N 1 1 382.508 4.135 20 0 GIADMO CSCc1cccnc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000569043315 822872685 /nfs/dbraw/zinc/87/26/85/822872685.db2.gz JQEFMCMIPZANIL-PZJWPPBQSA-N 1 1 395.572 4.071 20 0 GIADMO CCN(C(=O)c1coc(-c2ccccc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186319054 822875606 /nfs/dbraw/zinc/87/56/06/822875606.db2.gz XSVQELQCBOTBEY-HXUWFJFHSA-N 1 1 375.472 4.078 20 0 GIADMO Cc1ccc(NC(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000054318612 822876052 /nfs/dbraw/zinc/87/60/52/822876052.db2.gz SZDHEXFFFDBOOZ-UHFFFAOYSA-N 1 1 377.960 4.175 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000054325113 822876504 /nfs/dbraw/zinc/87/65/04/822876504.db2.gz VJVLBONIMPVHPZ-OAHLLOKOSA-N 1 1 382.932 4.121 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000175092135 822880788 /nfs/dbraw/zinc/88/07/88/822880788.db2.gz GSPSGDSCFOHAPK-UHFFFAOYSA-N 1 1 399.922 4.291 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1 ZINC000175105558 822882809 /nfs/dbraw/zinc/88/28/09/822882809.db2.gz NEZBBUGYJABCPW-UHFFFAOYSA-N 1 1 379.485 4.168 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@]2(C)CCCCO2)CC1 ZINC000457503673 822883011 /nfs/dbraw/zinc/88/30/11/822883011.db2.gz MNVKNBNNFJRDOW-FQEVSTJZSA-N 1 1 398.469 4.087 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)cc1OC ZINC000054424785 822883589 /nfs/dbraw/zinc/88/35/89/822883589.db2.gz JVLVWZOYTWIYEZ-UHFFFAOYSA-N 1 1 394.874 4.347 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000054425261 822884013 /nfs/dbraw/zinc/88/40/13/822884013.db2.gz ODSVOACTONWNAF-UHFFFAOYSA-N 1 1 398.837 4.411 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3cccnc3)cc2)[C@@H]1c1ccccc1 ZINC000569149524 822884139 /nfs/dbraw/zinc/88/41/39/822884139.db2.gz MJYQXZBHXHWWHT-VXKWHMMOSA-N 1 1 388.471 4.441 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000054427305 822884170 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20 0 GIADMO CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)cs1 ZINC000186421498 822891759 /nfs/dbraw/zinc/89/17/59/822891759.db2.gz YTXNKDKUYCYQOO-CHWSQXEVSA-N 1 1 399.354 4.120 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000569199872 822892189 /nfs/dbraw/zinc/89/21/89/822892189.db2.gz MSBYBWFNQVIFCB-BHIYHBOVSA-N 1 1 391.581 4.065 20 0 GIADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1CSC1=NCCS1 ZINC000175155281 822893719 /nfs/dbraw/zinc/89/37/19/822893719.db2.gz CXYHIPMBFXYFOY-QGZVFWFLSA-N 1 1 391.606 4.017 20 0 GIADMO Cc1cc(Br)cc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000175156515 822893897 /nfs/dbraw/zinc/89/38/97/822893897.db2.gz XZECHOYOKIEKQB-MQVJKMGUSA-N 1 1 380.330 4.203 20 0 GIADMO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186433982 822894688 /nfs/dbraw/zinc/89/46/88/822894688.db2.gz IYNYJROPWXWGKK-QFIPXVFZSA-N 1 1 392.480 4.170 20 0 GIADMO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186433982 822894694 /nfs/dbraw/zinc/89/46/94/822894694.db2.gz IYNYJROPWXWGKK-QFIPXVFZSA-N 1 1 392.480 4.170 20 0 GIADMO O=C(Nc1ccc(-c2c[nH]cn2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000569248606 822896417 /nfs/dbraw/zinc/89/64/17/822896417.db2.gz SMZNEEFTOZRXBO-IBGZPJMESA-N 1 1 396.441 4.173 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186443389 822896550 /nfs/dbraw/zinc/89/65/50/822896550.db2.gz DEYZKAPYLNXMEY-VWLOTQADSA-N 1 1 387.527 4.488 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)s1 ZINC000457611919 822897192 /nfs/dbraw/zinc/89/71/92/822897192.db2.gz LICBYQJRBMJYLG-FQEVSTJZSA-N 1 1 398.572 4.439 20 0 GIADMO CCCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000569255100 822897170 /nfs/dbraw/zinc/89/71/70/822897170.db2.gz UNIDYKQUIPMGTB-WMLDXEAASA-N 1 1 399.373 4.019 20 0 GIADMO CCCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OC ZINC000569255098 822897245 /nfs/dbraw/zinc/89/72/45/822897245.db2.gz UNIDYKQUIPMGTB-PBHICJAKSA-N 1 1 399.373 4.019 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457624801 822898425 /nfs/dbraw/zinc/89/84/25/822898425.db2.gz RXNBILPYVYIDOX-INIZCTEOSA-N 1 1 387.911 4.331 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000054606109 822898496 /nfs/dbraw/zinc/89/84/96/822898496.db2.gz LDTUASSTGCKEEZ-CQSZACIVSA-N 1 1 383.883 4.132 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sc(C)cc2OCc2ccccc2)C1 ZINC000457632017 822898958 /nfs/dbraw/zinc/89/89/58/822898958.db2.gz WTGPMPLMDBOADO-IBGZPJMESA-N 1 1 386.561 4.439 20 0 GIADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(CSC)cc1 ZINC000569272534 822899351 /nfs/dbraw/zinc/89/93/51/822899351.db2.gz MCROMBSLZCTPBJ-UHFFFAOYSA-N 1 1 395.528 4.202 20 0 GIADMO C[C@H](C[N@H+](C)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1nccs1 ZINC000186468810 822900196 /nfs/dbraw/zinc/90/01/96/822900196.db2.gz HFEDTQDITGLCDO-IUODEOHRSA-N 1 1 383.439 4.003 20 0 GIADMO C[C@H](C[N@@H+](C)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1nccs1 ZINC000186468810 822900201 /nfs/dbraw/zinc/90/02/01/822900201.db2.gz HFEDTQDITGLCDO-IUODEOHRSA-N 1 1 383.439 4.003 20 0 GIADMO CC[C@H](C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1ccccc1 ZINC000569280457 822900855 /nfs/dbraw/zinc/90/08/55/822900855.db2.gz NKNJLHAJMKEWCR-FXAWDEMLSA-N 1 1 377.488 4.429 20 0 GIADMO COc1ccc(F)cc1[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175190714 822901036 /nfs/dbraw/zinc/90/10/36/822901036.db2.gz TUGCVRWZGLHXGG-HKUYNNGSSA-N 1 1 399.510 4.059 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccnc1C(F)(F)F ZINC000569287109 822901853 /nfs/dbraw/zinc/90/18/53/822901853.db2.gz PQDNGENDZWOXCO-HNNXBMFYSA-N 1 1 392.425 4.229 20 0 GIADMO Cc1cccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000457656467 822902307 /nfs/dbraw/zinc/90/23/07/822902307.db2.gz CBAWCJIEYMOTBY-KDURUIRLSA-N 1 1 394.563 4.210 20 0 GIADMO Clc1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1Br ZINC000186482360 822902432 /nfs/dbraw/zinc/90/24/32/822902432.db2.gz GWEJMPYAZJVEFS-UHFFFAOYSA-N 1 1 376.747 4.201 20 0 GIADMO Clc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1Br ZINC000186482360 822902434 /nfs/dbraw/zinc/90/24/34/822902434.db2.gz GWEJMPYAZJVEFS-UHFFFAOYSA-N 1 1 376.747 4.201 20 0 GIADMO Cc1cc(NC(=O)c2[nH]ccc2C2CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000457664462 822903396 /nfs/dbraw/zinc/90/33/96/822903396.db2.gz IHNYGXJBZIZPLR-IBGZPJMESA-N 1 1 389.503 4.096 20 0 GIADMO Cc1noc([C@H]2CCC[N@H+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)C2)n1 ZINC000054677322 822904937 /nfs/dbraw/zinc/90/49/37/822904937.db2.gz VTHNLTAOCJNDNM-INIZCTEOSA-N 1 1 381.476 4.296 20 0 GIADMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000569315365 822906412 /nfs/dbraw/zinc/90/64/12/822906412.db2.gz WFKPBOLNILSTPZ-XHSDSOJGSA-N 1 1 386.462 4.131 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1csc(C2CCCCC2)n1 ZINC000569318033 822906721 /nfs/dbraw/zinc/90/67/21/822906721.db2.gz DTRSUURUZGPQJM-GOSISDBHSA-N 1 1 385.533 4.010 20 0 GIADMO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000457688320 822906833 /nfs/dbraw/zinc/90/68/33/822906833.db2.gz VBGKPTSTNGIKKF-LAUBAEHRSA-N 1 1 398.547 4.039 20 0 GIADMO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000186514468 822907243 /nfs/dbraw/zinc/90/72/43/822907243.db2.gz ZQZHIZJDURIMBE-SUMDDJOVSA-N 1 1 377.456 4.141 20 0 GIADMO O=C(Cc1ccccc1OC1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000457690341 822907225 /nfs/dbraw/zinc/90/72/25/822907225.db2.gz XIXZTUZAMSEACR-DENIHFKCSA-N 1 1 382.548 4.026 20 0 GIADMO CC(C)c1cccc(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)c1 ZINC000457728111 822911509 /nfs/dbraw/zinc/91/15/09/822911509.db2.gz JJPPUDMXDHABFL-QHCPKHFHSA-N 1 1 379.548 4.261 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(-c4ncccn4)n3)cc2)C1 ZINC000054794203 822913558 /nfs/dbraw/zinc/91/35/58/822913558.db2.gz WVVFBYABVIDBKK-HNNXBMFYSA-N 1 1 393.516 4.084 20 0 GIADMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000457753134 822914768 /nfs/dbraw/zinc/91/47/68/822914768.db2.gz XGEDOUPJCYKKPP-TWMKSMIVSA-N 1 1 377.495 4.402 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000457754349 822915089 /nfs/dbraw/zinc/91/50/89/822915089.db2.gz PHWCEVAEWVEOJX-LRDDRELGSA-N 1 1 393.350 4.069 20 0 GIADMO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4OCC3)c2C1 ZINC000186584093 822917596 /nfs/dbraw/zinc/91/75/96/822917596.db2.gz BNHIKGSXENXOLN-UHFFFAOYSA-N 1 1 398.528 4.368 20 0 GIADMO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4OCC3)c2C1 ZINC000186584093 822917598 /nfs/dbraw/zinc/91/75/98/822917598.db2.gz BNHIKGSXENXOLN-UHFFFAOYSA-N 1 1 398.528 4.368 20 0 GIADMO COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)cc1 ZINC000186590639 822918941 /nfs/dbraw/zinc/91/89/41/822918941.db2.gz NIQQCZORLGQMKM-UXHICEINSA-N 1 1 381.564 4.039 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000457790500 822919456 /nfs/dbraw/zinc/91/94/56/822919456.db2.gz QHCXZYZUSQBLRV-MTFMMBMASA-N 1 1 375.944 4.292 20 0 GIADMO O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000457790505 822919538 /nfs/dbraw/zinc/91/95/38/822919538.db2.gz QHCXZYZUSQBLRV-OJAHFUOMSA-N 1 1 375.944 4.292 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000175268416 822920127 /nfs/dbraw/zinc/92/01/27/822920127.db2.gz VMUOHZHEMOYMCE-OAHLLOKOSA-N 1 1 394.412 4.227 20 0 GIADMO Cc1cccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2C(C)C)n1 ZINC000569428067 822921537 /nfs/dbraw/zinc/92/15/37/822921537.db2.gz BWSSRBYYPBEJDA-VQTJNVASSA-N 1 1 396.583 4.320 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000175276966 822922166 /nfs/dbraw/zinc/92/21/66/822922166.db2.gz JUERLGXENQTFPG-XUZZJYLKSA-N 1 1 392.543 4.061 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000175278385 822922724 /nfs/dbraw/zinc/92/27/24/822922724.db2.gz PYCDHFUTXXZPHV-GOSISDBHSA-N 1 1 384.549 4.139 20 0 GIADMO CCN(C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000175281379 822923297 /nfs/dbraw/zinc/92/32/97/822923297.db2.gz HUSAQYUEFFCARQ-SFHVURJKSA-N 1 1 396.535 4.160 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)CC2)[nH+]c1 ZINC000175282836 822923868 /nfs/dbraw/zinc/92/38/68/822923868.db2.gz ARHBWZNNPHSCHN-APWZRJJASA-N 1 1 382.508 4.135 20 0 GIADMO Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000054969856 822926063 /nfs/dbraw/zinc/92/60/63/822926063.db2.gz BFCRCVOKYRWDLS-UHFFFAOYSA-N 1 1 375.488 4.224 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1F ZINC000186631616 822926459 /nfs/dbraw/zinc/92/64/59/822926459.db2.gz VDLDGNBWBUWSCN-OYHNWAKOSA-N 1 1 379.435 4.377 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1F ZINC000186631616 822926463 /nfs/dbraw/zinc/92/64/63/822926463.db2.gz VDLDGNBWBUWSCN-OYHNWAKOSA-N 1 1 379.435 4.377 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000569467223 822926739 /nfs/dbraw/zinc/92/67/39/822926739.db2.gz ZHGSOTYDKOZRCO-WMZOPIPTSA-N 1 1 378.476 4.156 20 0 GIADMO Brc1ccc(-c2nccc(C[N@H+]3CC[C@@H](c4ccncc4)C3)n2)cc1 ZINC000569468590 822926772 /nfs/dbraw/zinc/92/67/72/822926772.db2.gz GLLPSPUWDAFGPR-QGZVFWFLSA-N 1 1 395.304 4.291 20 0 GIADMO COc1ccc2nc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)sc2c1 ZINC000186635640 822927240 /nfs/dbraw/zinc/92/72/40/822927240.db2.gz BKVJQBHPECRJFC-HNNXBMFYSA-N 1 1 397.548 4.002 20 0 GIADMO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000569481380 822928185 /nfs/dbraw/zinc/92/81/85/822928185.db2.gz GHAWBEWAKRKMKY-FUHWJXTLSA-N 1 1 384.549 4.082 20 0 GIADMO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000569481380 822928186 /nfs/dbraw/zinc/92/81/86/822928186.db2.gz GHAWBEWAKRKMKY-FUHWJXTLSA-N 1 1 384.549 4.082 20 0 GIADMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000569481379 822928211 /nfs/dbraw/zinc/92/82/11/822928211.db2.gz GHAWBEWAKRKMKY-AEFFLSMTSA-N 1 1 384.549 4.082 20 0 GIADMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000569481379 822928212 /nfs/dbraw/zinc/92/82/12/822928212.db2.gz GHAWBEWAKRKMKY-AEFFLSMTSA-N 1 1 384.549 4.082 20 0 GIADMO CCc1cccc(CC)c1NC(=S)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000054984942 822928728 /nfs/dbraw/zinc/92/87/28/822928728.db2.gz RILDFIRPRJLIIB-UHFFFAOYSA-N 1 1 379.533 4.187 20 0 GIADMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)c1 ZINC000054992685 822929138 /nfs/dbraw/zinc/92/91/38/822929138.db2.gz SYFFTQIRRGEXFV-IBGZPJMESA-N 1 1 395.459 4.100 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)c1 ZINC000054992685 822929141 /nfs/dbraw/zinc/92/91/41/822929141.db2.gz SYFFTQIRRGEXFV-IBGZPJMESA-N 1 1 395.459 4.100 20 0 GIADMO Cc1ccc(NC(=O)C[N@H+](C)CCc2ccc(F)cc2)c(Br)c1 ZINC000055022999 822932034 /nfs/dbraw/zinc/93/20/34/822932034.db2.gz MIGLTQFYTMSLIV-UHFFFAOYSA-N 1 1 379.273 4.010 20 0 GIADMO Cc1ccc(NC(=O)C[N@@H+](C)CCc2ccc(F)cc2)c(Br)c1 ZINC000055022999 822932037 /nfs/dbraw/zinc/93/20/37/822932037.db2.gz MIGLTQFYTMSLIV-UHFFFAOYSA-N 1 1 379.273 4.010 20 0 GIADMO O=C(NC1CCCCC1)NC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000055028196 822932217 /nfs/dbraw/zinc/93/22/17/822932217.db2.gz GTJNQDKBUXVDGH-UHFFFAOYSA-N 1 1 398.576 4.406 20 0 GIADMO CCC(CC)n1nc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1C ZINC000569517162 822933050 /nfs/dbraw/zinc/93/30/50/822933050.db2.gz LCFFERJRNIJZSN-OAQYLSRUSA-N 1 1 394.519 4.407 20 0 GIADMO C[C@@]1(c2ccccc2)CC(=O)N(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000186669119 822933526 /nfs/dbraw/zinc/93/35/26/822933526.db2.gz GCNSVTXYEYQALL-MHECFPHRSA-N 1 1 389.499 4.155 20 0 GIADMO C[C@@]1(c2ccccc2)CC(=O)N(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000186669119 822933527 /nfs/dbraw/zinc/93/35/27/822933527.db2.gz GCNSVTXYEYQALL-MHECFPHRSA-N 1 1 389.499 4.155 20 0 GIADMO COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186672814 822934323 /nfs/dbraw/zinc/93/43/23/822934323.db2.gz HVMVVSMKSDTEAC-QFIPXVFZSA-N 1 1 379.481 4.319 20 0 GIADMO Cc1ccc(CNC(=O)C2CC[NH+]([C@H](C)c3ncc(C(C)(C)C)o3)CC2)cc1 ZINC000175328044 822936302 /nfs/dbraw/zinc/93/63/02/822936302.db2.gz MSCGBYNOJGSZNX-QGZVFWFLSA-N 1 1 383.536 4.370 20 0 GIADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3csc(-c4ccco4)n3)CC2)cc1 ZINC000175328636 822936637 /nfs/dbraw/zinc/93/66/37/822936637.db2.gz VQVISJHPPUITFD-UHFFFAOYSA-N 1 1 395.528 4.240 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)co2)cc1 ZINC000186692947 822938674 /nfs/dbraw/zinc/93/86/74/822938674.db2.gz KFNDTCZWCVDSNB-HSZRJFAPSA-N 1 1 376.456 4.372 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)co2)cc1 ZINC000186692947 822938677 /nfs/dbraw/zinc/93/86/77/822938677.db2.gz KFNDTCZWCVDSNB-HSZRJFAPSA-N 1 1 376.456 4.372 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000055152473 822941250 /nfs/dbraw/zinc/94/12/50/822941250.db2.gz WMLCFPHATQRBKM-NEPJUHHUSA-N 1 1 382.382 4.114 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000055177808 822943450 /nfs/dbraw/zinc/94/34/50/822943450.db2.gz DZNSTPYEZVDCTQ-OAHLLOKOSA-N 1 1 379.570 4.035 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000186716551 822943680 /nfs/dbraw/zinc/94/36/80/822943680.db2.gz HSGJBRKEHPRLBD-UHFFFAOYSA-N 1 1 384.332 4.283 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2cccc(Cl)c2F)[C@H](C)C1 ZINC000186719732 822944153 /nfs/dbraw/zinc/94/41/53/822944153.db2.gz ISEVQGCCPWWCQV-QAPCUYQASA-N 1 1 398.950 4.010 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2cccc(Cl)c2F)[C@H](C)C1 ZINC000186719753 822944215 /nfs/dbraw/zinc/94/42/15/822944215.db2.gz ISEVQGCCPWWCQV-CRAIPNDOSA-N 1 1 398.950 4.010 20 0 GIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)s3)CC2)cc1 ZINC000055208056 822945721 /nfs/dbraw/zinc/94/57/21/822945721.db2.gz MURVQZFDMOYUHX-UHFFFAOYSA-N 1 1 393.350 4.167 20 0 GIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Br)s3)CC2)cc1 ZINC000055208056 822945723 /nfs/dbraw/zinc/94/57/23/822945723.db2.gz MURVQZFDMOYUHX-UHFFFAOYSA-N 1 1 393.350 4.167 20 0 GIADMO CCOc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000175360964 822946181 /nfs/dbraw/zinc/94/61/81/822946181.db2.gz KMJJAZPITNPFCN-FQEVSTJZSA-N 1 1 381.520 4.380 20 0 GIADMO CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)c2ccccc21 ZINC000569634480 822947853 /nfs/dbraw/zinc/94/78/53/822947853.db2.gz XQWUZQSBDFIDFQ-GOTSBHOMSA-N 1 1 389.499 4.203 20 0 GIADMO Cc1ccncc1CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000569648632 822950036 /nfs/dbraw/zinc/95/00/36/822950036.db2.gz BFUHMSXZEBQBBX-UHFFFAOYSA-N 1 1 392.330 4.087 20 0 GIADMO Cc1cc(C)c2[nH+]cc(C(=O)[O-])c(N3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2c1 ZINC000569696918 822956472 /nfs/dbraw/zinc/95/64/72/822956472.db2.gz FNIWYYOMDHWYHG-SFHVURJKSA-N 1 1 389.499 4.261 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]cn2)cc1)C[C@@H]1CCCCO1 ZINC000569705985 822957266 /nfs/dbraw/zinc/95/72/66/822957266.db2.gz CMLWLKVWHRJOTG-GCJKJVERSA-N 1 1 398.551 4.007 20 0 GIADMO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)Cc2cnc[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000569705985 822957268 /nfs/dbraw/zinc/95/72/68/822957268.db2.gz CMLWLKVWHRJOTG-GCJKJVERSA-N 1 1 398.551 4.007 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)Cc2cnc[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000569705985 822957270 /nfs/dbraw/zinc/95/72/70/822957270.db2.gz CMLWLKVWHRJOTG-GCJKJVERSA-N 1 1 398.551 4.007 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186808636 822958746 /nfs/dbraw/zinc/95/87/46/822958746.db2.gz PFXQJDAVCHBDFT-QGZVFWFLSA-N 1 1 376.566 4.043 20 0 GIADMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000175414668 822963290 /nfs/dbraw/zinc/96/32/90/822963290.db2.gz OKBPBNLXKRJDIY-SSVXIMEWSA-N 1 1 397.540 4.010 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000175419194 822964329 /nfs/dbraw/zinc/96/43/29/822964329.db2.gz FNDCTXQNCDVMCA-WRHNGFHOSA-N 1 1 398.572 4.243 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000175419194 822964331 /nfs/dbraw/zinc/96/43/31/822964331.db2.gz FNDCTXQNCDVMCA-WRHNGFHOSA-N 1 1 398.572 4.243 20 0 GIADMO CC[N@@H+](Cc1cnc(-c2cnn(C)c2)nc1)C(c1ccccc1)c1ccccc1 ZINC000569757939 822964417 /nfs/dbraw/zinc/96/44/17/822964417.db2.gz CHXKQMZINGQFHF-UHFFFAOYSA-N 1 1 383.499 4.489 20 0 GIADMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186839822 822964975 /nfs/dbraw/zinc/96/49/75/822964975.db2.gz IPZCXPNBZOFGBW-CYBMUJFWSA-N 1 1 379.913 4.049 20 0 GIADMO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)c21 ZINC000458175239 822965379 /nfs/dbraw/zinc/96/53/79/822965379.db2.gz SQCQGHPTTFAWBX-OAHLLOKOSA-N 1 1 396.491 4.068 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458179313 822965830 /nfs/dbraw/zinc/96/58/30/822965830.db2.gz XSVSJMPEZBKWGI-QGZVFWFLSA-N 1 1 387.549 4.045 20 0 GIADMO Cc1ccc([C@H]2CCCCCN2C(=O)NCC[N@@H+]2CCc3sccc3C2)o1 ZINC000569769779 822966275 /nfs/dbraw/zinc/96/62/75/822966275.db2.gz LPXIJOSAOOQTNN-GOSISDBHSA-N 1 1 387.549 4.335 20 0 GIADMO Cc1ccc([C@H]2CCCCCN2C(=O)NCC[N@H+]2CCc3sccc3C2)o1 ZINC000569769779 822966277 /nfs/dbraw/zinc/96/62/77/822966277.db2.gz LPXIJOSAOOQTNN-GOSISDBHSA-N 1 1 387.549 4.335 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000569780572 822967932 /nfs/dbraw/zinc/96/79/32/822967932.db2.gz PSMSZOZAUJAIPY-QUCCMNQESA-N 1 1 395.551 4.395 20 0 GIADMO CN(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc(F)cc1 ZINC000175454460 822973224 /nfs/dbraw/zinc/97/32/24/822973224.db2.gz RZBZTXNBBAGHNT-UHFFFAOYSA-N 1 1 381.451 4.397 20 0 GIADMO CN(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccc(F)cc1 ZINC000175454460 822973226 /nfs/dbraw/zinc/97/32/26/822973226.db2.gz RZBZTXNBBAGHNT-UHFFFAOYSA-N 1 1 381.451 4.397 20 0 GIADMO C[C@@H](OC[C@@H](O)C[NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1 ZINC000569837722 822974481 /nfs/dbraw/zinc/97/44/81/822974481.db2.gz UPMIBUSXBJYLOA-MFKMUULPSA-N 1 1 394.846 4.044 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000175462597 822975021 /nfs/dbraw/zinc/97/50/21/822975021.db2.gz QLLRVHQMUAEUHZ-UHFFFAOYSA-N 1 1 394.441 4.365 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CCN(C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000175463800 822975290 /nfs/dbraw/zinc/97/52/90/822975290.db2.gz CXISFPJNHDBBMU-UHFFFAOYSA-N 1 1 391.519 4.260 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000175465009 822975697 /nfs/dbraw/zinc/97/56/97/822975697.db2.gz VZAQFINKMNFRIE-SFHVURJKSA-N 1 1 392.956 4.125 20 0 GIADMO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ncc(Br)cc1F ZINC000186907214 822977764 /nfs/dbraw/zinc/97/77/64/822977764.db2.gz BGGBCXPPBRRPTH-KSSFIOAISA-N 1 1 392.316 4.471 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ncc(Br)cc1F ZINC000186907230 822978082 /nfs/dbraw/zinc/97/80/82/822978082.db2.gz BGGBCXPPBRRPTH-KDOFPFPSSA-N 1 1 392.316 4.471 20 0 GIADMO O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc(C[NH+]2CCCC2)on1 ZINC000569870222 822978556 /nfs/dbraw/zinc/97/85/56/822978556.db2.gz DFRIZZVFDBZNLQ-UHFFFAOYSA-N 1 1 388.899 4.166 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000569915233 822985407 /nfs/dbraw/zinc/98/54/07/822985407.db2.gz FKRNVMFGWRKDFL-UHFFFAOYSA-N 1 1 383.410 4.412 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000569917846 822985670 /nfs/dbraw/zinc/98/56/70/822985670.db2.gz SXUPZFGUTQHNIS-DLBZAZTESA-N 1 1 395.478 4.354 20 0 GIADMO C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175506765 822985807 /nfs/dbraw/zinc/98/58/07/822985807.db2.gz QBBYCCRDVUWMMZ-MDYRTPRTSA-N 1 1 387.549 4.239 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ncc(Br)cc1F ZINC000186954401 822986203 /nfs/dbraw/zinc/98/62/03/822986203.db2.gz GCNOSWWZZIHISY-ZDUSSCGKSA-N 1 1 389.272 4.079 20 0 GIADMO Cc1csc(C(C)(C)NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000175510131 822987094 /nfs/dbraw/zinc/98/70/94/822987094.db2.gz ZGNOEHRFLUGGPT-HOCLYGCPSA-N 1 1 392.594 4.130 20 0 GIADMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CCN1Cc1ccccc1 ZINC000186961672 822987822 /nfs/dbraw/zinc/98/78/22/822987822.db2.gz ZYFMEYLYFTUYDT-AUSIDOKSSA-N 1 1 391.559 4.081 20 0 GIADMO C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000186961672 822987824 /nfs/dbraw/zinc/98/78/24/822987824.db2.gz ZYFMEYLYFTUYDT-AUSIDOKSSA-N 1 1 391.559 4.081 20 0 GIADMO C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000186961672 822987826 /nfs/dbraw/zinc/98/78/26/822987826.db2.gz ZYFMEYLYFTUYDT-AUSIDOKSSA-N 1 1 391.559 4.081 20 0 GIADMO O=C(N[C@@H]1C[C@H]1c1ccccc1F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000458370736 822988214 /nfs/dbraw/zinc/98/82/14/822988214.db2.gz GWVSEEIRXZLVSD-SGFOMYPESA-N 1 1 393.506 4.176 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CC3(CC3)c3ccccc32)[C@@H]1c1cccs1 ZINC000175517173 822989205 /nfs/dbraw/zinc/98/92/05/822989205.db2.gz JYQJTHAINAJKGT-OXJNMPFZSA-N 1 1 381.545 4.392 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000175519353 822989856 /nfs/dbraw/zinc/98/98/56/822989856.db2.gz XHZFJACHABNLJK-KCZVDYSFSA-N 1 1 397.588 4.405 20 0 GIADMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000569965454 822990677 /nfs/dbraw/zinc/99/06/77/822990677.db2.gz ZAAPQUVMNDXDCJ-HNNXBMFYSA-N 1 1 385.961 4.073 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1c[nH]nc1-c1ccsc1)Cc1ccncc1 ZINC000569969044 822991148 /nfs/dbraw/zinc/99/11/48/822991148.db2.gz QIYPKVVAHYKKFJ-FQEVSTJZSA-N 1 1 381.549 4.020 20 0 GIADMO O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000055643068 822991330 /nfs/dbraw/zinc/99/13/30/822991330.db2.gz AYHLNPONLWNBFK-UHFFFAOYSA-N 1 1 393.556 4.063 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@H](CSc3ccccc3)C2)C1 ZINC000175528427 822991422 /nfs/dbraw/zinc/99/14/22/822991422.db2.gz OOMJUINSDKFKFV-PMACEKPBSA-N 1 1 389.609 4.322 20 0 GIADMO CCOC(=O)[C@]1(CCS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1=O ZINC000569971044 822991444 /nfs/dbraw/zinc/99/14/44/822991444.db2.gz CHYKBMCYPBJIRF-KNQAVFIVSA-N 1 1 389.561 4.077 20 0 GIADMO O=C(c1ccccc1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531732 822992202 /nfs/dbraw/zinc/99/22/02/822992202.db2.gz RPFXUTOKHMQBBD-SFHVURJKSA-N 1 1 376.422 4.213 20 0 GIADMO O=C(c1ccc(F)cc1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534949 822992759 /nfs/dbraw/zinc/99/27/59/822992759.db2.gz FCUIFVBUPKRZSL-QGZVFWFLSA-N 1 1 394.412 4.352 20 0 GIADMO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000570010949 822996569 /nfs/dbraw/zinc/99/65/69/822996569.db2.gz MIGUVLWTFXDVED-ZHRRBRCNSA-N 1 1 382.529 4.205 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NCc2ncc(-c3cccc(Cl)c3)o2)[C@H](C)C1 ZINC000187014074 822997668 /nfs/dbraw/zinc/99/76/68/822997668.db2.gz AUKUAVCTDCERGZ-VQIMIIECSA-N 1 1 391.943 4.222 20 0 GIADMO CC(C)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570025195 822998685 /nfs/dbraw/zinc/99/86/85/822998685.db2.gz XJWXRMNAWVBGGD-AEFFLSMTSA-N 1 1 378.879 4.053 20 0 GIADMO O=C(c1ccc(Oc2ccccc2)cn1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000570031224 822999137 /nfs/dbraw/zinc/99/91/37/822999137.db2.gz URZGEFRCNDNJCX-IBGZPJMESA-N 1 1 385.467 4.499 20 0 GIADMO C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000570047488 823000742 /nfs/dbraw/zinc/00/07/42/823000742.db2.gz WZIUWFZIWBUETI-QPPBQGQZSA-N 1 1 395.522 4.057 20 0 GIADMO CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000175583095 823001993 /nfs/dbraw/zinc/00/19/93/823001993.db2.gz UKBHKSUYSVPBHD-JXFKEZNVSA-N 1 1 386.467 4.015 20 0 GIADMO Cc1nc(CCCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000175592096 823003443 /nfs/dbraw/zinc/00/34/43/823003443.db2.gz KBKQUWUPGKKBOJ-IYBDPMFKSA-N 1 1 387.549 4.022 20 0 GIADMO Cc1nc(CCCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000175592096 823003444 /nfs/dbraw/zinc/00/34/44/823003444.db2.gz KBKQUWUPGKKBOJ-IYBDPMFKSA-N 1 1 387.549 4.022 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CC[C@H](c4ccccc4)[C@@H]3C)n2)c(OC)c1 ZINC000175605234 823005426 /nfs/dbraw/zinc/00/54/26/823005426.db2.gz WKNXPMDEEIBMMS-YJBOKZPZSA-N 1 1 379.460 4.132 20 0 GIADMO Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000570098170 823005776 /nfs/dbraw/zinc/00/57/76/823005776.db2.gz OUPGDYJDKNRCBP-PCCBWWKXSA-N 1 1 378.520 4.013 20 0 GIADMO C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000570110292 823006386 /nfs/dbraw/zinc/00/63/86/823006386.db2.gz OFPLUQNSPUDGES-JSNMRZPZSA-N 1 1 397.412 4.210 20 0 GIADMO C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000570110292 823006389 /nfs/dbraw/zinc/00/63/89/823006389.db2.gz OFPLUQNSPUDGES-JSNMRZPZSA-N 1 1 397.412 4.210 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N(C)CCc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175631416 823009865 /nfs/dbraw/zinc/00/98/65/823009865.db2.gz TWVWHXJEWCMMDV-GCJKJVERSA-N 1 1 383.511 4.063 20 0 GIADMO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]Cc1nc(N)c2ccccc2n1 ZINC000570142983 823010013 /nfs/dbraw/zinc/01/00/13/823010013.db2.gz SRVSOJMPJQQPDK-SFHVURJKSA-N 1 1 397.320 4.218 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000175634929 823010371 /nfs/dbraw/zinc/01/03/71/823010371.db2.gz KVQGDKZWSBAFBR-APWZRJJASA-N 1 1 387.474 4.159 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000175635736 823010523 /nfs/dbraw/zinc/01/05/23/823010523.db2.gz CSKSYLHFVKLMIO-UHFFFAOYSA-N 1 1 379.464 4.289 20 0 GIADMO O=C(CC1(C(F)(F)F)CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000570149370 823010567 /nfs/dbraw/zinc/01/05/67/823010567.db2.gz LAMGQCBDQNRLSI-UHFFFAOYSA-N 1 1 380.454 4.234 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)N(Cc2cccs2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000175638208 823011031 /nfs/dbraw/zinc/01/10/31/823011031.db2.gz DIHHDAKWVNFOJU-HKUYNNGSSA-N 1 1 383.561 4.475 20 0 GIADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000187105345 823011139 /nfs/dbraw/zinc/01/11/39/823011139.db2.gz PPEVLRJDUREKHJ-UHFFFAOYSA-N 1 1 391.842 4.442 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2c2cccn2C)CC[N@H+]1Cc1ccccc1 ZINC000175639154 823011197 /nfs/dbraw/zinc/01/11/97/823011197.db2.gz JTVZFSPHLHGEOC-KJXAQDMKSA-N 1 1 394.563 4.315 20 0 GIADMO CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[NH2+][C@@H](c4ccccc4)C3)c21 ZINC000570171012 823012075 /nfs/dbraw/zinc/01/20/75/823012075.db2.gz CKAYZZVBNDHYLU-LJQANCHMSA-N 1 1 390.487 4.010 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1noc2ccc(F)cc21 ZINC000570183476 823013100 /nfs/dbraw/zinc/01/31/00/823013100.db2.gz ORQHDJWOJWQFEV-INIZCTEOSA-N 1 1 395.478 4.200 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000187118927 823013380 /nfs/dbraw/zinc/01/33/80/823013380.db2.gz YUKKBIOJZUNYSE-SFHVURJKSA-N 1 1 383.536 4.028 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000175655161 823013597 /nfs/dbraw/zinc/01/35/97/823013597.db2.gz APVIHYNFBPQBFK-DOTOQJQBSA-N 1 1 390.940 4.256 20 0 GIADMO CCCCOC1CC[NH+](Cc2nc3cc(C(=O)OCC)ccc3n2CC)CC1 ZINC000570196899 823014424 /nfs/dbraw/zinc/01/44/24/823014424.db2.gz KPLKJQGBAJKUGX-UHFFFAOYSA-N 1 1 387.524 4.014 20 0 GIADMO Cc1ccc([C@H](CN[C@H](C)c2ncc(Br)cc2F)[NH+]2CCCC2)o1 ZINC000187132985 823015576 /nfs/dbraw/zinc/01/55/76/823015576.db2.gz IDHXALRXTWKHAG-CJNGLKHVSA-N 1 1 396.304 4.372 20 0 GIADMO CN1CCCc2cc(NC(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000175674138 823017614 /nfs/dbraw/zinc/01/76/14/823017614.db2.gz GHUAOXNWOUCQKH-UWJYYQICSA-N 1 1 398.576 4.335 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000570256591 823020156 /nfs/dbraw/zinc/02/01/56/823020156.db2.gz FXNKUAUGHFFCSI-CYPZLSGVSA-N 1 1 381.560 4.089 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000570269427 823021305 /nfs/dbraw/zinc/02/13/05/823021305.db2.gz HSCYBYWYJNTLTK-OXQOHEQNSA-N 1 1 387.549 4.119 20 0 GIADMO CC(=O)N(c1nc(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000570269427 823021306 /nfs/dbraw/zinc/02/13/06/823021306.db2.gz HSCYBYWYJNTLTK-OXQOHEQNSA-N 1 1 387.549 4.119 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc2ccccc2o1 ZINC000175706696 823024642 /nfs/dbraw/zinc/02/46/42/823024642.db2.gz HVSZGZYSPGGKLB-FQEVSTJZSA-N 1 1 391.515 4.486 20 0 GIADMO C[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cncc(Br)c1 ZINC000570345022 823027404 /nfs/dbraw/zinc/02/74/04/823027404.db2.gz DAMKGVMFNANSCQ-HNNXBMFYSA-N 1 1 392.341 4.025 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000175726408 823027681 /nfs/dbraw/zinc/02/76/81/823027681.db2.gz JSDUDIHKFHKCGM-NRFANRHFSA-N 1 1 394.519 4.163 20 0 GIADMO CCc1c(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[nH]nc1-c1ccncc1 ZINC000570377883 823031447 /nfs/dbraw/zinc/03/14/47/823031447.db2.gz ATHWQYDKWBOXDK-UHFFFAOYSA-N 1 1 389.503 4.272 20 0 GIADMO CCCC[C@@H](CCC)NC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000175756429 823032695 /nfs/dbraw/zinc/03/26/95/823032695.db2.gz YIJHFQFOXCXCTN-LJQANCHMSA-N 1 1 378.561 4.162 20 0 GIADMO Brc1ccc2c(c1)[C@H]([NH2+]Cc1nc(-c3ccccn3)n[nH]1)CCCC2 ZINC000570404431 823033418 /nfs/dbraw/zinc/03/34/18/823033418.db2.gz CLVXDLNNKBAJJU-MRXNPFEDSA-N 1 1 398.308 4.187 20 0 GIADMO C[C@H]1[C@H](NC(=O)Nc2ccccc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000570424330 823036074 /nfs/dbraw/zinc/03/60/74/823036074.db2.gz JLZSXTHTDOROTB-AZUAARDMSA-N 1 1 378.520 4.071 20 0 GIADMO C[C@@H]1[C@H](NC(=O)N2CCCCC[C@@H]2c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000570423226 823036109 /nfs/dbraw/zinc/03/61/09/823036109.db2.gz DGMRXOINMOKNKZ-UEVCKROQSA-N 1 1 392.547 4.371 20 0 GIADMO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cncc(OC)c1 ZINC000570430261 823036893 /nfs/dbraw/zinc/03/68/93/823036893.db2.gz JKTYGNSDUJNLEG-CQSZACIVSA-N 1 1 395.425 4.348 20 0 GIADMO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cncc(OC)c1 ZINC000570430261 823036899 /nfs/dbraw/zinc/03/68/99/823036899.db2.gz JKTYGNSDUJNLEG-CQSZACIVSA-N 1 1 395.425 4.348 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3[C@H](C)[C@H](CC(F)(F)F)C[C@@H]3C)CC2)[nH+]c1 ZINC000458434830 823039793 /nfs/dbraw/zinc/03/97/93/823039793.db2.gz RXMADZMOVGNVDA-XHSDSOJGSA-N 1 1 398.473 4.120 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC2CCC(C(F)F)CC2)[C@@H]1c1cccs1 ZINC000458442169 823040749 /nfs/dbraw/zinc/04/07/49/823040749.db2.gz WAVSYKKLZBKYBB-CLKYRPBMSA-N 1 1 385.524 4.254 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2sccc2Br)cc1 ZINC000175791957 823041319 /nfs/dbraw/zinc/04/13/19/823041319.db2.gz PFLLBZRPKJGPBM-LLVKDONJSA-N 1 1 390.306 4.496 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1OCCC(C)C ZINC000570470845 823042264 /nfs/dbraw/zinc/04/22/64/823042264.db2.gz ZCVXPAKGIIAIHU-LJQANCHMSA-N 1 1 398.551 4.495 20 0 GIADMO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1OCCC(C)C ZINC000570470845 823042268 /nfs/dbraw/zinc/04/22/68/823042268.db2.gz ZCVXPAKGIIAIHU-LJQANCHMSA-N 1 1 398.551 4.495 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1OCCC(C)C ZINC000570470845 823042270 /nfs/dbraw/zinc/04/22/70/823042270.db2.gz ZCVXPAKGIIAIHU-LJQANCHMSA-N 1 1 398.551 4.495 20 0 GIADMO COc1ccc(CCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000175797012 823042349 /nfs/dbraw/zinc/04/23/49/823042349.db2.gz HNARWANOGBGGQA-MRXNPFEDSA-N 1 1 393.487 4.008 20 0 GIADMO Cc1cccc(Oc2cc(CNC(=O)NCC[C@@H]3CCC[N@H+](C)C3)ccn2)c1C ZINC000458459457 823043101 /nfs/dbraw/zinc/04/31/01/823043101.db2.gz DIUGARPAGMRZES-IBGZPJMESA-N 1 1 396.535 4.022 20 0 GIADMO CC1CCC([N@@H+](Cc2ccc(C(N)=O)cc2)Cc2ccc3c(c2)OCO3)CC1 ZINC000060562298 823542597 /nfs/dbraw/zinc/54/25/97/823542597.db2.gz QXRUBYRUCFZZCX-UHFFFAOYSA-N 1 1 380.488 4.095 20 0 GIADMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1cccs1 ZINC000123814685 823542762 /nfs/dbraw/zinc/54/27/62/823542762.db2.gz GTGISWSNGLYYHN-WPKBUWHJSA-N 1 1 380.916 4.453 20 0 GIADMO C[C@H](c1ccc(NC(=O)N[C@H]2CCCc3sccc32)cc1)[NH+]1CCOCC1 ZINC000123830778 823543756 /nfs/dbraw/zinc/54/37/56/823543756.db2.gz UEJJKFODQNVPPM-BEFAXECRSA-N 1 1 385.533 4.340 20 0 GIADMO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000190165642 823545072 /nfs/dbraw/zinc/54/50/72/823545072.db2.gz USKJICQBJRIOJO-INIZCTEOSA-N 1 1 393.597 4.195 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123856347 823546493 /nfs/dbraw/zinc/54/64/93/823546493.db2.gz IWQSGUZWEZHZEX-QRQCRPRQSA-N 1 1 399.897 4.312 20 0 GIADMO CCOCCCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000060626341 823549020 /nfs/dbraw/zinc/54/90/20/823549020.db2.gz FBEGFANWRINZHX-UHFFFAOYSA-N 1 1 390.524 4.015 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000123930298 823552625 /nfs/dbraw/zinc/55/26/25/823552625.db2.gz OUWUEKRAVNCMMJ-INIZCTEOSA-N 1 1 392.425 4.086 20 0 GIADMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCc1cncs1)CC2 ZINC000411159684 823552815 /nfs/dbraw/zinc/55/28/15/823552815.db2.gz VZUYUCDATNBUJH-QFIPXVFZSA-N 1 1 380.513 4.351 20 0 GIADMO Cc1csc2nc(C[N@@H+]3CC[C@H](Cc4ccc(C(C)C)cc4)C3)cc(=O)n12 ZINC000460978762 823554825 /nfs/dbraw/zinc/55/48/25/823554825.db2.gz KFIGBJFCMKNYGG-GOSISDBHSA-N 1 1 381.545 4.252 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460981619 823555231 /nfs/dbraw/zinc/55/52/31/823555231.db2.gz HYKGPHJKWXDSDH-UYAOXDASSA-N 1 1 382.552 4.052 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c1 ZINC000460981279 823555254 /nfs/dbraw/zinc/55/52/54/823555254.db2.gz OKANESGCJIAICJ-HXUWFJFHSA-N 1 1 393.531 4.272 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000411187250 823555465 /nfs/dbraw/zinc/55/54/65/823555465.db2.gz PQQOTRPXRQKZNZ-LJQANCHMSA-N 1 1 387.568 4.000 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(c2ccccc2Br)CC1 ZINC000190248545 823555668 /nfs/dbraw/zinc/55/56/68/823555668.db2.gz UCRFWSVUODKPFS-MRXNPFEDSA-N 1 1 393.369 4.252 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C(F)(F)F)c1 ZINC000123965352 823556179 /nfs/dbraw/zinc/55/61/79/823556179.db2.gz RTOLOYPCFWIVRB-KBXCAEBGSA-N 1 1 399.457 4.441 20 0 GIADMO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123972921 823556793 /nfs/dbraw/zinc/55/67/93/823556793.db2.gz RTAHSLRNFQDYMR-SCLBCKFNSA-N 1 1 393.890 4.187 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123972921 823556796 /nfs/dbraw/zinc/55/67/96/823556796.db2.gz RTAHSLRNFQDYMR-SCLBCKFNSA-N 1 1 393.890 4.187 20 0 GIADMO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123973093 823556826 /nfs/dbraw/zinc/55/68/26/823556826.db2.gz RTAHSLRNFQDYMR-FZKQIMNGSA-N 1 1 393.890 4.187 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123973093 823556828 /nfs/dbraw/zinc/55/68/28/823556828.db2.gz RTAHSLRNFQDYMR-FZKQIMNGSA-N 1 1 393.890 4.187 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000060794780 823557996 /nfs/dbraw/zinc/55/79/96/823557996.db2.gz BXWLQRCDQJPWHM-SFHVURJKSA-N 1 1 377.315 4.444 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000190270288 823558159 /nfs/dbraw/zinc/55/81/59/823558159.db2.gz FFXSCAUZJRTTIN-QFBILLFUSA-N 1 1 389.471 4.300 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccn(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000190270288 823558160 /nfs/dbraw/zinc/55/81/60/823558160.db2.gz FFXSCAUZJRTTIN-QFBILLFUSA-N 1 1 389.471 4.300 20 0 GIADMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(-c2ncco2)cc1F ZINC000411221021 823558296 /nfs/dbraw/zinc/55/82/96/823558296.db2.gz HAWHAKRGLSGHNB-UHFFFAOYSA-N 1 1 381.451 4.205 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(-c2ncco2)cc1F ZINC000411221021 823558297 /nfs/dbraw/zinc/55/82/97/823558297.db2.gz HAWHAKRGLSGHNB-UHFFFAOYSA-N 1 1 381.451 4.205 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000461014548 823559236 /nfs/dbraw/zinc/55/92/36/823559236.db2.gz JFRIAAHFTAHCIG-UHFFFAOYSA-N 1 1 379.342 4.156 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461020139 823560141 /nfs/dbraw/zinc/56/01/41/823560141.db2.gz LDRWBGOZXJVILA-UHFFFAOYSA-N 1 1 379.426 4.229 20 0 GIADMO Cc1csc([C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C2CC2)n1 ZINC000461025673 823561127 /nfs/dbraw/zinc/56/11/27/823561127.db2.gz FLOVNBGNFOOMSH-HKUYNNGSSA-N 1 1 387.524 4.070 20 0 GIADMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411299378 823563052 /nfs/dbraw/zinc/56/30/52/823563052.db2.gz ALGZZJHJLQQMRC-SFHVURJKSA-N 1 1 390.325 4.343 20 0 GIADMO Cc1n[nH]cc1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000124049755 823563147 /nfs/dbraw/zinc/56/31/47/823563147.db2.gz NYFIRBFHIWSKRR-UHFFFAOYSA-N 1 1 379.439 4.060 20 0 GIADMO Cc1n[nH]cc1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000124049755 823563148 /nfs/dbraw/zinc/56/31/48/823563148.db2.gz NYFIRBFHIWSKRR-UHFFFAOYSA-N 1 1 379.439 4.060 20 0 GIADMO COc1ccc2c(c1)[C@H]([N@H+](Cc1ccccc1)Cc1ccnc(N)c1)CCO2 ZINC000411315989 823563967 /nfs/dbraw/zinc/56/39/67/823563967.db2.gz VOCBDVWCNQUTEG-OAQYLSRUSA-N 1 1 375.472 4.029 20 0 GIADMO COc1ccc2c(c1)[C@H]([N@@H+](Cc1ccccc1)Cc1ccnc(N)c1)CCO2 ZINC000411315989 823563968 /nfs/dbraw/zinc/56/39/68/823563968.db2.gz VOCBDVWCNQUTEG-OAQYLSRUSA-N 1 1 375.472 4.029 20 0 GIADMO O=C(CC[N@@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccccc1Br ZINC000411316040 823564272 /nfs/dbraw/zinc/56/42/72/823564272.db2.gz VUDOCKNVBRDBFO-INIZCTEOSA-N 1 1 395.341 4.201 20 0 GIADMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(F)c1 ZINC000461048275 823565379 /nfs/dbraw/zinc/56/53/79/823565379.db2.gz VFJSGKGSNXXGAY-KUHUBIRLSA-N 1 1 394.412 4.339 20 0 GIADMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000060904964 823565692 /nfs/dbraw/zinc/56/56/92/823565692.db2.gz VKYQQIJMICCAHT-OAHLLOKOSA-N 1 1 381.925 4.205 20 0 GIADMO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc2ccccc21 ZINC000060905656 823565778 /nfs/dbraw/zinc/56/57/78/823565778.db2.gz MKMOPWBOKVPQNA-UHFFFAOYSA-N 1 1 383.513 4.144 20 0 GIADMO O=C(COc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCCC1 ZINC000124085845 823566330 /nfs/dbraw/zinc/56/63/30/823566330.db2.gz VFEGZPPXIUROAK-OAQYLSRUSA-N 1 1 382.479 4.164 20 0 GIADMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2ccccc2)o1 ZINC000190366031 823566862 /nfs/dbraw/zinc/56/68/62/823566862.db2.gz ZBCDRXJLGMDNBG-UHFFFAOYSA-N 1 1 377.366 4.266 20 0 GIADMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1nnc(-c2ccccc2)o1 ZINC000190366031 823566863 /nfs/dbraw/zinc/56/68/63/823566863.db2.gz ZBCDRXJLGMDNBG-UHFFFAOYSA-N 1 1 377.366 4.266 20 0 GIADMO COCCCOc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccncc3)cs2)c1 ZINC000124099217 823567534 /nfs/dbraw/zinc/56/75/34/823567534.db2.gz MHMOYBMJIOCDKT-INIZCTEOSA-N 1 1 383.517 4.471 20 0 GIADMO COc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)ccc1OC(F)F ZINC000060935101 823567962 /nfs/dbraw/zinc/56/79/62/823567962.db2.gz YYOPSUQCYZAPHS-UHFFFAOYSA-N 1 1 376.447 4.236 20 0 GIADMO CC[C@](C)([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1nc(C)cs1 ZINC000411388830 823568881 /nfs/dbraw/zinc/56/88/81/823568881.db2.gz OYNPXZQWCAFPTP-KRWDZBQOSA-N 1 1 392.575 4.490 20 0 GIADMO CC[C@](C)([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nccs1 ZINC000411390879 823569053 /nfs/dbraw/zinc/56/90/53/823569053.db2.gz OVRGZYAJTFNECN-NRFANRHFSA-N 1 1 383.517 4.180 20 0 GIADMO CCC1(CC)CCC[N@H+]([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 ZINC000190415807 823570744 /nfs/dbraw/zinc/57/07/44/823570744.db2.gz RVNJYKUTFSRTKJ-MRXNPFEDSA-N 1 1 389.540 4.273 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(Br)cn4)C3)nc2c1 ZINC000411410446 823571300 /nfs/dbraw/zinc/57/13/00/823571300.db2.gz DHKLUJJMEMLASI-CQSZACIVSA-N 1 1 385.309 4.408 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(Br)cn4)C3)nc2c1 ZINC000411410446 823571301 /nfs/dbraw/zinc/57/13/01/823571301.db2.gz DHKLUJJMEMLASI-CQSZACIVSA-N 1 1 385.309 4.408 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(Br)cn4)C3)[nH]c2c1 ZINC000411410446 823571303 /nfs/dbraw/zinc/57/13/03/823571303.db2.gz DHKLUJJMEMLASI-CQSZACIVSA-N 1 1 385.309 4.408 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(Br)cn4)C3)[nH]c2c1 ZINC000411410446 823571305 /nfs/dbraw/zinc/57/13/05/823571305.db2.gz DHKLUJJMEMLASI-CQSZACIVSA-N 1 1 385.309 4.408 20 0 GIADMO C[C@@H](c1ccccn1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411420307 823571992 /nfs/dbraw/zinc/57/19/92/823571992.db2.gz LMYLEJQVKQXTRW-KGLIPLIRSA-N 1 1 381.549 4.029 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)N(Cc1ccco1)Cc1ccccc1 ZINC000411420032 823572064 /nfs/dbraw/zinc/57/20/64/823572064.db2.gz PZPXDYJGQXLXPW-JOCHJYFZSA-N 1 1 375.472 4.041 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)N(Cc1ccco1)Cc1ccccc1 ZINC000411420032 823572066 /nfs/dbraw/zinc/57/20/66/823572066.db2.gz PZPXDYJGQXLXPW-JOCHJYFZSA-N 1 1 375.472 4.041 20 0 GIADMO CC(C)C[C@@H]([NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1ccccc1 ZINC000411435537 823573984 /nfs/dbraw/zinc/57/39/84/823573984.db2.gz DHFVOZIVYZRYCN-HXUWFJFHSA-N 1 1 387.487 4.398 20 0 GIADMO COc1c(C[NH2+][C@@H](C)c2ccc3ccccc3c2OC(F)F)c(C)nn1C ZINC000461089136 823574573 /nfs/dbraw/zinc/57/45/73/823574573.db2.gz KXNZTHSIMCXALM-LBPRGKRZSA-N 1 1 375.419 4.343 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000461100982 823577266 /nfs/dbraw/zinc/57/72/66/823577266.db2.gz CEPQLFUXXSASQO-DYESRHJHSA-N 1 1 385.939 4.352 20 0 GIADMO COc1cccc(Cl)c1CN1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190458224 823577340 /nfs/dbraw/zinc/57/73/40/823577340.db2.gz JWNUSNZIUOSDSI-HNNXBMFYSA-N 1 1 379.957 4.067 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1Cc2ccccc21 ZINC000461101463 823577565 /nfs/dbraw/zinc/57/75/65/823577565.db2.gz MEQHNERQZIAXOM-GOSISDBHSA-N 1 1 389.326 4.414 20 0 GIADMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000190470575 823578766 /nfs/dbraw/zinc/57/87/66/823578766.db2.gz BALUDEGLALPMSE-IIBYNOLFSA-N 1 1 377.488 4.018 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(N)nc(N(C)C)n1)c1ccccc1-c1ccc(Cl)cc1 ZINC000411472925 823578956 /nfs/dbraw/zinc/57/89/56/823578956.db2.gz URHYZQPMLMCMQU-KBPBESRZSA-N 1 1 396.926 4.082 20 0 GIADMO CC[C@@H]([NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1)c1ccc(OC)cc1 ZINC000124239263 823580134 /nfs/dbraw/zinc/58/01/34/823580134.db2.gz CMYQUAVIEYETCD-GOSISDBHSA-N 1 1 383.448 4.003 20 0 GIADMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)cc2)C1 ZINC000190503741 823581707 /nfs/dbraw/zinc/58/17/07/823581707.db2.gz JGVFBRCVMMQJLM-LJQANCHMSA-N 1 1 396.535 4.245 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000411498752 823581740 /nfs/dbraw/zinc/58/17/40/823581740.db2.gz BQLJNEFUQNSHGR-NUEKZKHPSA-N 1 1 382.451 4.340 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000124270418 823582710 /nfs/dbraw/zinc/58/27/10/823582710.db2.gz WLRAXZFKPXRIGJ-QGZVFWFLSA-N 1 1 389.540 4.131 20 0 GIADMO CC[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1c(C)nn(C)c1C ZINC000411515373 823583238 /nfs/dbraw/zinc/58/32/38/823583238.db2.gz HSMPTAMLUGGCRX-CQSZACIVSA-N 1 1 397.504 4.248 20 0 GIADMO Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000124281171 823583530 /nfs/dbraw/zinc/58/35/30/823583530.db2.gz SOONXMPEXMIISE-FQEVSTJZSA-N 1 1 379.435 4.392 20 0 GIADMO Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000124281171 823583534 /nfs/dbraw/zinc/58/35/34/823583534.db2.gz SOONXMPEXMIISE-FQEVSTJZSA-N 1 1 379.435 4.392 20 0 GIADMO Cc1c(C[N@@H+](C)Cc2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000124286716 823583842 /nfs/dbraw/zinc/58/38/42/823583842.db2.gz WKNISODWBCOAOI-UHFFFAOYSA-N 1 1 389.421 4.135 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411521717 823584328 /nfs/dbraw/zinc/58/43/28/823584328.db2.gz BZNUVZNCHBUARQ-RDTXWAMCSA-N 1 1 388.309 4.256 20 0 GIADMO Cc1ccc(C(C)(C)[NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)cn1 ZINC000411526635 823584944 /nfs/dbraw/zinc/58/49/44/823584944.db2.gz MOEGBHPKJVUXCQ-UHFFFAOYSA-N 1 1 380.473 4.385 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N2CCC(c3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000190552803 823585627 /nfs/dbraw/zinc/58/56/27/823585627.db2.gz KAXAKYWLAZLKDS-XXBNENTESA-N 1 1 392.547 4.024 20 0 GIADMO COc1cccc(NC(=O)CC[NH2+]C(C)(C)c2nc(C(F)(F)F)cs2)c1 ZINC000411543640 823586875 /nfs/dbraw/zinc/58/68/75/823586875.db2.gz RSIDFDXGRJKNLL-UHFFFAOYSA-N 1 1 387.427 4.024 20 0 GIADMO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000411547341 823587327 /nfs/dbraw/zinc/58/73/27/823587327.db2.gz BZCRUXBCZVNLEX-UYAOXDASSA-N 1 1 397.588 4.237 20 0 GIADMO Cc1ccc(C)c(OCCC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000061285469 823589408 /nfs/dbraw/zinc/58/94/08/823589408.db2.gz ZUJRUHXZVICTKV-UHFFFAOYSA-N 1 1 384.545 4.260 20 0 GIADMO C[C@@H](CO)[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCC1 ZINC000411606116 823590310 /nfs/dbraw/zinc/59/03/10/823590310.db2.gz RRBYNJONSOTHEV-AWEZNQCLSA-N 1 1 383.517 4.189 20 0 GIADMO O=c1[nH]c(CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)nc2ccccc21 ZINC000411610032 823590654 /nfs/dbraw/zinc/59/06/54/823590654.db2.gz XOIBASQITKZYDF-OAQYLSRUSA-N 1 1 399.498 4.495 20 0 GIADMO O=c1[nH]c(CC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)nc2ccccc21 ZINC000411610032 823590658 /nfs/dbraw/zinc/59/06/58/823590658.db2.gz XOIBASQITKZYDF-OAQYLSRUSA-N 1 1 399.498 4.495 20 0 GIADMO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cs1 ZINC000411614737 823590849 /nfs/dbraw/zinc/59/08/49/823590849.db2.gz GAAUDESOEIDFRR-JTQLQIEISA-N 1 1 384.295 4.157 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000124405089 823593895 /nfs/dbraw/zinc/59/38/95/823593895.db2.gz SXDFRACLHBGLHG-NRFANRHFSA-N 1 1 383.923 4.497 20 0 GIADMO CCCCOc1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1Cl ZINC000190641880 823594371 /nfs/dbraw/zinc/59/43/71/823594371.db2.gz YDZSZNCQBVUEJZ-QGZVFWFLSA-N 1 1 381.948 4.002 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1C1CC1 ZINC000124418922 823595164 /nfs/dbraw/zinc/59/51/64/823595164.db2.gz CNVZEHDWMDDISG-IRXDYDNUSA-N 1 1 396.535 4.377 20 0 GIADMO O=C(CC[N@H+]1CC[C@H](OCc2ccncc2)C1)Nc1c(Cl)cccc1Cl ZINC000411660680 823595429 /nfs/dbraw/zinc/59/54/29/823595429.db2.gz BCUWOFVZUAZUHB-HNNXBMFYSA-N 1 1 394.302 4.008 20 0 GIADMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411702401 823597978 /nfs/dbraw/zinc/59/79/78/823597978.db2.gz QESIUXVNJCAUJE-PKTZIBPZSA-N 1 1 376.548 4.226 20 0 GIADMO O=C(CC[N@H+]1CCCC[C@H]1c1cc[nH]n1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411715417 823599059 /nfs/dbraw/zinc/59/90/59/823599059.db2.gz BRLYZZJFMQXHTQ-SIKLNZKXSA-N 1 1 394.544 4.294 20 0 GIADMO Fc1cc(-c2ncco2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000411724609 823600086 /nfs/dbraw/zinc/60/00/86/823600086.db2.gz YTGIQLWXQKBRAN-URVUXULASA-N 1 1 378.447 4.485 20 0 GIADMO CN(Cc1c(F)c(F)c(Br)c(F)c1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411724721 823600191 /nfs/dbraw/zinc/60/01/91/823600191.db2.gz ZMEROMOSWOMRBA-ULKQDVFKSA-N 1 1 395.238 4.063 20 0 GIADMO CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124524171 823603333 /nfs/dbraw/zinc/60/33/33/823603333.db2.gz MFBHHNFQXDCRIO-RPWUZVMVSA-N 1 1 393.575 4.249 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)nc1 ZINC000411768816 823603696 /nfs/dbraw/zinc/60/36/96/823603696.db2.gz SBQAIVRYFYTESR-LLVKDONJSA-N 1 1 381.245 4.011 20 0 GIADMO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411775983 823604111 /nfs/dbraw/zinc/60/41/11/823604111.db2.gz UINXFDJFRKTUTA-SFTDATJTSA-N 1 1 395.474 4.210 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)s1 ZINC000061570689 823604679 /nfs/dbraw/zinc/60/46/79/823604679.db2.gz ROVVCLURXMOIKT-IAGOWNOFSA-N 1 1 385.577 4.206 20 0 GIADMO Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc(C)c1OCc1cccnc1 ZINC000461255137 823605775 /nfs/dbraw/zinc/60/57/75/823605775.db2.gz BWKXKQJJJBMCTI-QFIPXVFZSA-N 1 1 395.547 4.224 20 0 GIADMO CCCn1c(C)c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c2cc(OC)ccc21 ZINC000461255432 823605931 /nfs/dbraw/zinc/60/59/31/823605931.db2.gz CVYPCBXBFNTLAW-SFHVURJKSA-N 1 1 385.552 4.315 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000461257097 823606207 /nfs/dbraw/zinc/60/62/07/823606207.db2.gz LENQQXHPIKIQQS-GOSISDBHSA-N 1 1 389.927 4.260 20 0 GIADMO COc1cccc(Nc2ccccc2C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000461257102 823606274 /nfs/dbraw/zinc/60/62/74/823606274.db2.gz LETXTLXLPJOCPJ-LJQANCHMSA-N 1 1 381.520 4.385 20 0 GIADMO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1OCCC(C)C ZINC000461258315 823606515 /nfs/dbraw/zinc/60/65/15/823606515.db2.gz PTHHQCHFVNYRQE-IBGZPJMESA-N 1 1 376.541 4.067 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461261077 823607298 /nfs/dbraw/zinc/60/72/98/823607298.db2.gz WLXIKZLQWCEUEH-SFHVURJKSA-N 1 1 382.470 4.460 20 0 GIADMO CC[N@H+]1CC[C@H](CNC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)C1 ZINC000061646800 823607405 /nfs/dbraw/zinc/60/74/05/823607405.db2.gz FQQVKOGYUXBCPW-GFCCVEGCSA-N 1 1 398.359 4.117 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCCc1ccc(Br)s1 ZINC000461263778 823608322 /nfs/dbraw/zinc/60/83/22/823608322.db2.gz MWTUUOXXJOHSHU-CQSZACIVSA-N 1 1 387.387 4.166 20 0 GIADMO C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461264127 823608492 /nfs/dbraw/zinc/60/84/92/823608492.db2.gz NKWRNHVCBXIMCX-NQIIRXRSSA-N 1 1 395.547 4.177 20 0 GIADMO CC[C@@H](CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2)[N@H+]1CCc2ccccc2C1 ZINC000061722929 823608748 /nfs/dbraw/zinc/60/87/48/823608748.db2.gz BHLHRPSWGODJME-IBGZPJMESA-N 1 1 395.503 4.152 20 0 GIADMO COc1ccnc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1OC ZINC000190786355 823609003 /nfs/dbraw/zinc/60/90/03/823609003.db2.gz JHZMGRZPHWUHMD-UHFFFAOYSA-N 1 1 387.867 4.273 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000461268543 823609348 /nfs/dbraw/zinc/60/93/48/823609348.db2.gz VBKGQBHJQVYXNS-KRWDZBQOSA-N 1 1 381.358 4.060 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000461273473 823610422 /nfs/dbraw/zinc/61/04/22/823610422.db2.gz SHKRVUSQRRBPPY-GOSISDBHSA-N 1 1 391.968 4.339 20 0 GIADMO COC(=O)c1cccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000124608887 823610797 /nfs/dbraw/zinc/61/07/97/823610797.db2.gz CJHYUIUDZIGVGX-NRFANRHFSA-N 1 1 392.430 4.082 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411867542 823611525 /nfs/dbraw/zinc/61/15/25/823611525.db2.gz JEVOVDPIHRAQJV-FQEVSTJZSA-N 1 1 388.577 4.110 20 0 GIADMO CCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)sc1C ZINC000124619713 823611633 /nfs/dbraw/zinc/61/16/33/823611633.db2.gz FDRSJGDAOKUISJ-VQTJNVASSA-N 1 1 391.625 4.028 20 0 GIADMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000411890250 823613105 /nfs/dbraw/zinc/61/31/05/823613105.db2.gz WZCKFJXDIPHXCW-AEFFLSMTSA-N 1 1 389.377 4.157 20 0 GIADMO COc1ccc2c(c1NC(=O)c1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000190830231 823613858 /nfs/dbraw/zinc/61/38/58/823613858.db2.gz HFOJQDAVLDTCNH-CALCHBBNSA-N 1 1 394.515 4.045 20 0 GIADMO COc1ccc2c(c1NC(=O)c1ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000190830231 823613861 /nfs/dbraw/zinc/61/38/61/823613861.db2.gz HFOJQDAVLDTCNH-CALCHBBNSA-N 1 1 394.515 4.045 20 0 GIADMO CSc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061788178 823614323 /nfs/dbraw/zinc/61/43/23/823614323.db2.gz CDVSNPNXYGFMKA-UHFFFAOYSA-N 1 1 387.574 4.279 20 0 GIADMO Cc1cc(-n2cccn2)ccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000190834155 823614431 /nfs/dbraw/zinc/61/44/31/823614431.db2.gz FRLQYXZTOBWJFR-PMACEKPBSA-N 1 1 395.551 4.299 20 0 GIADMO C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789702 823614461 /nfs/dbraw/zinc/61/44/61/823614461.db2.gz XDJFRBCWOBFQJL-QGZVFWFLSA-N 1 1 399.560 4.084 20 0 GIADMO O=C(CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000411942303 823615401 /nfs/dbraw/zinc/61/54/01/823615401.db2.gz MCCITSLNBBTCRE-WMLDXEAASA-N 1 1 379.287 4.130 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)C[C@H]1C ZINC000461318698 823616859 /nfs/dbraw/zinc/61/68/59/823616859.db2.gz NUBGKTDLGZFFOS-NVXWUHKLSA-N 1 1 399.564 4.265 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411991612 823618740 /nfs/dbraw/zinc/61/87/40/823618740.db2.gz UVZWMUJPFZBVBP-RRPUWOKSSA-N 1 1 382.548 4.021 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411991612 823618741 /nfs/dbraw/zinc/61/87/41/823618741.db2.gz UVZWMUJPFZBVBP-RRPUWOKSSA-N 1 1 382.548 4.021 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1csc(C2CC2)n1)C(C)C ZINC000411992843 823618867 /nfs/dbraw/zinc/61/88/67/823618867.db2.gz ZZYZTUTWGNTEQZ-QGZVFWFLSA-N 1 1 392.590 4.393 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1csc(C2CC2)n1)C(C)C ZINC000411992843 823618869 /nfs/dbraw/zinc/61/88/69/823618869.db2.gz ZZYZTUTWGNTEQZ-QGZVFWFLSA-N 1 1 392.590 4.393 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000461335462 823619658 /nfs/dbraw/zinc/61/96/58/823619658.db2.gz WSKVBSMOOGCCHU-INIZCTEOSA-N 1 1 381.358 4.164 20 0 GIADMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411997324 823619679 /nfs/dbraw/zinc/61/96/79/823619679.db2.gz IFEWPUJQZZPWIJ-JPYJTQIMSA-N 1 1 396.506 4.199 20 0 GIADMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411997324 823619680 /nfs/dbraw/zinc/61/96/80/823619680.db2.gz IFEWPUJQZZPWIJ-JPYJTQIMSA-N 1 1 396.506 4.199 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411998357 823619860 /nfs/dbraw/zinc/61/98/60/823619860.db2.gz KQRJWJHAJVRIOV-SVMVAKDDSA-N 1 1 396.506 4.245 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411998357 823619861 /nfs/dbraw/zinc/61/98/61/823619861.db2.gz KQRJWJHAJVRIOV-SVMVAKDDSA-N 1 1 396.506 4.245 20 0 GIADMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000079 823620129 /nfs/dbraw/zinc/62/01/29/823620129.db2.gz NPOHURVPNNYFOH-UTKZUKDTSA-N 1 1 398.934 4.198 20 0 GIADMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000079 823620132 /nfs/dbraw/zinc/62/01/32/823620132.db2.gz NPOHURVPNNYFOH-UTKZUKDTSA-N 1 1 398.934 4.198 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1F ZINC000412001286 823620359 /nfs/dbraw/zinc/62/03/59/823620359.db2.gz PTRILDXTZYCPRU-LAUBAEHRSA-N 1 1 382.479 4.315 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1F ZINC000412001286 823620362 /nfs/dbraw/zinc/62/03/62/823620362.db2.gz PTRILDXTZYCPRU-LAUBAEHRSA-N 1 1 382.479 4.315 20 0 GIADMO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412004712 823621328 /nfs/dbraw/zinc/62/13/28/823621328.db2.gz ZEHGUGDOBSZXNF-LAUBAEHRSA-N 1 1 398.934 4.198 20 0 GIADMO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412004712 823621329 /nfs/dbraw/zinc/62/13/29/823621329.db2.gz ZEHGUGDOBSZXNF-LAUBAEHRSA-N 1 1 398.934 4.198 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000190900376 823621745 /nfs/dbraw/zinc/62/17/45/823621745.db2.gz LWMSKTOGZBRMOT-OAQYLSRUSA-N 1 1 381.520 4.109 20 0 GIADMO COc1cc(F)cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000124733591 823621868 /nfs/dbraw/zinc/62/18/68/823621868.db2.gz HPMISMBVLDQCQI-JXFKEZNVSA-N 1 1 385.483 4.351 20 0 GIADMO CC(C)(C)CN1CCC[C@@H]([N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000461357285 823622102 /nfs/dbraw/zinc/62/21/02/823622102.db2.gz BUWYDJKHUWTVFH-MAUKXSAKSA-N 1 1 387.499 4.183 20 0 GIADMO COC1([C@@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccccc3F)n2)CCC1 ZINC000412019425 823623143 /nfs/dbraw/zinc/62/31/43/823623143.db2.gz IAUXRXBTCZSPDN-CYBMUJFWSA-N 1 1 377.485 4.014 20 0 GIADMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C[C@@H]2C1 ZINC000412047391 823624026 /nfs/dbraw/zinc/62/40/26/823624026.db2.gz VPTLBMPTTAPPKK-JKIFEVAISA-N 1 1 382.451 4.422 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCCC1CCCCC1)C1CCCCC1 ZINC000062204719 823624311 /nfs/dbraw/zinc/62/43/11/823624311.db2.gz ASIGGUZOSCVSHJ-UHFFFAOYSA-N 1 1 399.579 4.476 20 0 GIADMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(-c4ccc(Cl)cc4)nc4sccn34)C[C@@H]2C1 ZINC000412050511 823624315 /nfs/dbraw/zinc/62/43/15/823624315.db2.gz UEWPDJCBQWOXSI-HLLBOEOZSA-N 1 1 387.936 4.309 20 0 GIADMO Cc1cccc(C)c1OCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062230362 823625050 /nfs/dbraw/zinc/62/50/50/823625050.db2.gz VCPGNVPWJWZVET-QFIPXVFZSA-N 1 1 380.532 4.101 20 0 GIADMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060592 823625075 /nfs/dbraw/zinc/62/50/75/823625075.db2.gz GGWOMKYKKUGWMN-JKSUJKDBSA-N 1 1 385.508 4.230 20 0 GIADMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060592 823625077 /nfs/dbraw/zinc/62/50/77/823625077.db2.gz GGWOMKYKKUGWMN-JKSUJKDBSA-N 1 1 385.508 4.230 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH]c2ccccc2c1Cl ZINC000062230037 823625124 /nfs/dbraw/zinc/62/51/24/823625124.db2.gz LLVOUSBTTHAWCA-QGZVFWFLSA-N 1 1 381.907 4.463 20 0 GIADMO Cc1ccc(C)c(OCCC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000062231487 823625318 /nfs/dbraw/zinc/62/53/18/823625318.db2.gz FYPKDQCEUOTWHO-JOCHJYFZSA-N 1 1 380.532 4.101 20 0 GIADMO O=C(CCn1ccc2ccccc21)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062231149 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392.543 4.399 20 0 GIADMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)C12CCC2 ZINC000461401617 823629885 /nfs/dbraw/zinc/62/98/85/823629885.db2.gz MCOXXCOQTJMQTO-ZWKOTPCHSA-N 1 1 387.549 4.456 20 0 GIADMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)C12CCC2 ZINC000461401617 823629889 /nfs/dbraw/zinc/62/98/89/823629889.db2.gz MCOXXCOQTJMQTO-ZWKOTPCHSA-N 1 1 387.549 4.456 20 0 GIADMO C[C@@H]1CCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000412155869 823631305 /nfs/dbraw/zinc/63/13/05/823631305.db2.gz KDPVMGMFVPRMKK-NTKDMRAZSA-N 1 1 392.543 4.399 20 0 GIADMO O=C(N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2cccc(Cl)c2)CC1 ZINC000461421462 823632928 /nfs/dbraw/zinc/63/29/28/823632928.db2.gz CNXVXJXQXKIESL-WOJBJXKFSA-N 1 1 394.946 4.352 20 0 GIADMO Cc1ccc(CCCC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461421466 823633090 /nfs/dbraw/zinc/63/30/90/823633090.db2.gz COWHWOYTQAJGML-NHCUHLMSSA-N 1 1 382.573 4.360 20 0 GIADMO 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/nfs/dbraw/zinc/63/66/66/823636666.db2.gz YWAFPWJQOYVQFA-YADHBBJMSA-N 1 1 387.527 4.255 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)nc2)CC1 ZINC000191000553 823636837 /nfs/dbraw/zinc/63/68/37/823636837.db2.gz UQMCRDXCFZGDAP-UHFFFAOYSA-N 1 1 379.291 4.225 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000412227921 823637546 /nfs/dbraw/zinc/63/75/46/823637546.db2.gz ZZVXTQWCMHSDOU-PXCRPINLSA-N 1 1 384.907 4.014 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000412227921 823637550 /nfs/dbraw/zinc/63/75/50/823637550.db2.gz ZZVXTQWCMHSDOU-PXCRPINLSA-N 1 1 384.907 4.014 20 0 GIADMO O=C(c1coc2cc(F)ccc12)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461439372 823637770 /nfs/dbraw/zinc/63/77/70/823637770.db2.gz QZRLYNCJGKRPMP-QZTJIDSGSA-N 1 1 378.447 4.166 20 0 GIADMO O=C(Cc1ccc(F)cc1Cl)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440981 823638110 /nfs/dbraw/zinc/63/81/10/823638110.db2.gz DFYZZPUCYLCDNF-RTBURBONSA-N 1 1 386.898 4.002 20 0 GIADMO O=C(N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2cccc(F)c2)CCC1 ZINC000461442249 823638495 /nfs/dbraw/zinc/63/84/95/823638495.db2.gz FGUYRXYWIVSFCV-NHCUHLMSSA-N 1 1 392.518 4.228 20 0 GIADMO COc1ccc2occ(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC000461442793 823638662 /nfs/dbraw/zinc/63/86/62/823638662.db2.gz FUCKKHOLGCOEQA-MOPGFXCFSA-N 1 1 390.483 4.036 20 0 GIADMO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1c(F)cccc1F ZINC000461444522 823638825 /nfs/dbraw/zinc/63/88/25/823638825.db2.gz IYLINSRBPYHHKJ-WDSOQIARSA-N 1 1 384.470 4.049 20 0 GIADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000062500379 823638942 /nfs/dbraw/zinc/63/89/42/823638942.db2.gz MUAGUUOMGWHBHU-MSOLQXFVSA-N 1 1 382.552 4.177 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412240905 823638924 /nfs/dbraw/zinc/63/89/24/823638924.db2.gz JVLGIXBPWDZZKS-XQAQDONZSA-N 1 1 376.850 4.410 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](C)CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000412240905 823638927 /nfs/dbraw/zinc/63/89/27/823638927.db2.gz JVLGIXBPWDZZKS-XQAQDONZSA-N 1 1 376.850 4.410 20 0 GIADMO Cc1ccc2[nH]c(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2c1C ZINC000461446743 823639474 /nfs/dbraw/zinc/63/94/74/823639474.db2.gz NLNZXPAKUXRPOC-LEWJYISDSA-N 1 1 387.527 4.379 20 0 GIADMO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461447274 823639677 /nfs/dbraw/zinc/63/96/77/823639677.db2.gz FRBAJPGATFGGFM-UEVCKROQSA-N 1 1 394.534 4.375 20 0 GIADMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)ccc1OC ZINC000191032032 823640185 /nfs/dbraw/zinc/64/01/85/823640185.db2.gz LYELMULQSCNUDU-ZDUSSCGKSA-N 1 1 378.831 4.164 20 0 GIADMO O=C(CCc1cnc2ccccc2c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461451823 823640574 /nfs/dbraw/zinc/64/05/74/823640574.db2.gz UAIXCMCQLYUMTJ-ZEQRLZLVSA-N 1 1 399.538 4.148 20 0 GIADMO Cc1c2cccc(Cl)c2[nH]c1C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000412266882 823641612 /nfs/dbraw/zinc/64/16/12/823641612.db2.gz DYRZSOVKNNEEFD-KKSFZXQISA-N 1 1 396.922 4.290 20 0 GIADMO O=C([C@@H]1[C@@H](c2ccccc2)C1(F)F)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461457553 823641673 /nfs/dbraw/zinc/64/16/73/823641673.db2.gz VBUXECGSBAEDNA-YSFYHYPLSA-N 1 1 396.481 4.016 20 0 GIADMO CCC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000461472245 823643920 /nfs/dbraw/zinc/64/39/20/823643920.db2.gz VZPJTVZDZVRHPE-FQEVSTJZSA-N 1 1 378.516 4.311 20 0 GIADMO Cc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2Cc2cccs2)s1 ZINC000461488937 823647184 /nfs/dbraw/zinc/64/71/84/823647184.db2.gz IQXDQVARHVTJLB-GDBMZVCRSA-N 1 1 399.589 4.098 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000412333605 823647590 /nfs/dbraw/zinc/64/75/90/823647590.db2.gz YNBIZYHCYYVUFG-QZNHQXDQSA-N 1 1 392.543 4.216 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000191092572 823648007 /nfs/dbraw/zinc/64/80/07/823648007.db2.gz BOBINIRQFDJVOJ-APWZRJJASA-N 1 1 396.362 4.495 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000191092602 823648010 /nfs/dbraw/zinc/64/80/10/823648010.db2.gz BOBINIRQFDJVOJ-LPHOPBHVSA-N 1 1 396.362 4.495 20 0 GIADMO CC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000125132645 823653984 /nfs/dbraw/zinc/65/39/84/823653984.db2.gz SLUCXOIRUHHYSE-XPGWFJOJSA-N 1 1 384.524 4.095 20 0 GIADMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(Cl)c1 ZINC000191192766 823658133 /nfs/dbraw/zinc/65/81/33/823658133.db2.gz UBBNAXJOHCPFOU-UHFFFAOYSA-N 1 1 378.850 4.321 20 0 GIADMO C[C@H](CC(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)c1ccncc1 ZINC000125231080 823660751 /nfs/dbraw/zinc/66/07/51/823660751.db2.gz PSSRNCYPBWKQMW-IAGOWNOFSA-N 1 1 388.458 4.309 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C 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RTNFAQKSVKJLPE-PXAZEXFGSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Br)ccc3Cl)CC[C@@H]2N1C1CC1 ZINC000125381769 823671945 /nfs/dbraw/zinc/67/19/45/823671945.db2.gz RTNFAQKSVKJLPE-PXAZEXFGSA-N 1 1 397.744 4.078 20 0 GIADMO Cc1ccc(CNC(=O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cc1F ZINC000063471213 823674268 /nfs/dbraw/zinc/67/42/68/823674268.db2.gz SWFMGCHMRFJMER-UHFFFAOYSA-N 1 1 398.428 4.408 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000461644685 823674548 /nfs/dbraw/zinc/67/45/48/823674548.db2.gz DSBQCGLTNVGGSF-LBPRGKRZSA-N 1 1 385.986 4.304 20 0 GIADMO CC(C)[C@H]1N(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC12CCOCC2 ZINC000412759394 823681341 /nfs/dbraw/zinc/68/13/41/823681341.db2.gz TWIIZDNULAREOS-PZJWPPBQSA-N 1 1 399.579 4.157 20 0 GIADMO c1ccc(Oc2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCOCC4)n3)cn2)cc1 ZINC000125503855 823681399 /nfs/dbraw/zinc/68/13/99/823681399.db2.gz ACLQRIKGHGRKLN-IBGZPJMESA-N 1 1 392.459 4.240 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000063594369 823681845 /nfs/dbraw/zinc/68/18/45/823681845.db2.gz BLRPGZFQJDCOSC-OAHLLOKOSA-N 1 1 385.439 4.038 20 0 GIADMO CCCC[N@@H+](CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1)C1CC1 ZINC000063615911 823683410 /nfs/dbraw/zinc/68/34/10/823683410.db2.gz SSLGZRFDDKKPKQ-UHFFFAOYSA-N 1 1 389.521 4.030 20 0 GIADMO CC(C)[N@@H+](CCC(=O)N1CCOCC1)Cc1ccc(-c2cccc(F)c2)s1 ZINC000063614982 823683422 /nfs/dbraw/zinc/68/34/22/823683422.db2.gz WBOXQRQRDGHXKL-UHFFFAOYSA-N 1 1 390.524 4.014 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)OC)cc2)cc1)C1CC1 ZINC000412803713 823684119 /nfs/dbraw/zinc/68/41/19/823684119.db2.gz DTGUBCWYFGNRSX-MRXNPFEDSA-N 1 1 380.488 4.200 20 0 GIADMO CC(C)c1nn(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(=S)n1C ZINC000125547973 823684330 /nfs/dbraw/zinc/68/43/30/823684330.db2.gz DATDSVGUDAVXPM-QGZVFWFLSA-N 1 1 379.618 4.008 20 0 GIADMO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000125567470 823686121 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C[C@H]1Cc2cc(-c3ccc(C[NH2+]Cc4cn(C(C)(C)C)nn4)cc3)ccc2O1 ZINC000191488682 823690347 /nfs/dbraw/zinc/69/03/47/823690347.db2.gz IRBCOPHAPNWXPU-INIZCTEOSA-N 1 1 376.504 4.313 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000191491361 823690565 /nfs/dbraw/zinc/69/05/65/823690565.db2.gz LTJOGTKMZBVNRT-AWEZNQCLSA-N 1 1 397.350 4.492 20 0 GIADMO C[C@@H](CC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000461748419 823691367 /nfs/dbraw/zinc/69/13/67/823691367.db2.gz JXJXIRXSMBVSNU-LRDDRELGSA-N 1 1 397.288 4.094 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 ZINC000063724018 823691754 /nfs/dbraw/zinc/69/17/54/823691754.db2.gz MJEPIKDWKRNYBR-UHFFFAOYSA-N 1 1 396.531 4.091 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000063723866 823691773 /nfs/dbraw/zinc/69/17/73/823691773.db2.gz RNSJLUOSPHDIPD-UHFFFAOYSA-N 1 1 389.927 4.260 20 0 GIADMO Cc1cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc(C)c1OCc1cccnc1 ZINC000063723382 823691790 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COc1ccccc1CNC(=O)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063762776 823693928 /nfs/dbraw/zinc/69/39/28/823693928.db2.gz YPHZAQSTHHUYDX-UHFFFAOYSA-N 1 1 386.495 4.254 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000063758642 823693969 /nfs/dbraw/zinc/69/39/69/823693969.db2.gz JUBNWWWOAZHYRS-KDURUIRLSA-N 1 1 399.604 4.151 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000063782538 823695562 /nfs/dbraw/zinc/69/55/62/823695562.db2.gz FRZAWFRXDPLARZ-UHFFFAOYSA-N 1 1 396.560 4.315 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)c1ccccc1SCc1cn2ccccc2n1 ZINC000063782545 823695606 /nfs/dbraw/zinc/69/56/06/823695606.db2.gz UFNYSMZJPFJGRH-UHFFFAOYSA-N 1 1 396.560 4.087 20 0 GIADMO CCCC1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000412973822 823695765 /nfs/dbraw/zinc/69/57/65/823695765.db2.gz RMQGEHCJGMHTBG-UHFFFAOYSA-N 1 1 379.342 4.110 20 0 GIADMO CSCCCCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412977776 823696148 /nfs/dbraw/zinc/69/61/48/823696148.db2.gz XQVAGSKYVIZRRP-UHFFFAOYSA-N 1 1 399.398 4.063 20 0 GIADMO CC[C@@H](c1nnc(SCCc2cccnc2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000412982250 823697151 /nfs/dbraw/zinc/69/71/51/823697151.db2.gz JUKHSXXWJOQFPS-IBGZPJMESA-N 1 1 397.548 4.018 20 0 GIADMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C2 ZINC000461801264 823697376 /nfs/dbraw/zinc/69/73/76/823697376.db2.gz LRRVKDRQOXQXBY-NRFANRHFSA-N 1 1 388.870 4.374 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cccc(C)c1Br ZINC000191539841 823697670 /nfs/dbraw/zinc/69/76/70/823697670.db2.gz IHTJRABEMFSGMO-AWEZNQCLSA-N 1 1 392.293 4.160 20 0 GIADMO CC[N@H+](C)[C@H](c1nc(-c2ccc(Oc3ncccn3)cc2)no1)c1ccccc1 ZINC000574315587 823701216 /nfs/dbraw/zinc/70/12/16/823701216.db2.gz TYXOOFYOYLTAER-IBGZPJMESA-N 1 1 387.443 4.360 20 0 GIADMO CC[N@@H+](C)[C@H](c1nc(-c2ccc(Oc3ncccn3)cc2)no1)c1ccccc1 ZINC000574315587 823701222 /nfs/dbraw/zinc/70/12/22/823701222.db2.gz TYXOOFYOYLTAER-IBGZPJMESA-N 1 1 387.443 4.360 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)Nc3cc(C)ccc3C)C2)s1 ZINC000574320385 823702261 /nfs/dbraw/zinc/70/22/61/823702261.db2.gz PDVNSFUQGTZBKA-UXHICEINSA-N 1 1 399.604 4.454 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc(Cl)sc1Cl ZINC000125738421 823702397 /nfs/dbraw/zinc/70/23/97/823702397.db2.gz REWZYVAXLHKJFW-SNVBAGLBSA-N 1 1 378.346 4.450 20 0 GIADMO C[C@@H]1C[N@@H+](C2CCN(c3ncc(-c4ccc(Cl)cc4)s3)CC2)CCO1 ZINC000413080307 823704198 /nfs/dbraw/zinc/70/41/98/823704198.db2.gz OJTLRFNDVHZHOU-CQSZACIVSA-N 1 1 377.941 4.153 20 0 GIADMO C[C@@H]1C[N@H+](C2CCN(c3ncc(-c4ccc(Cl)cc4)s3)CC2)CCO1 ZINC000413080307 823704202 /nfs/dbraw/zinc/70/42/02/823704202.db2.gz OJTLRFNDVHZHOU-CQSZACIVSA-N 1 1 377.941 4.153 20 0 GIADMO COCC1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000413092579 823705679 /nfs/dbraw/zinc/70/56/79/823705679.db2.gz GPIDOKWFMNCRRU-FLPIEVNYSA-N 1 1 387.568 4.065 20 0 GIADMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[C@H]1CCCCCC(=O)C1 ZINC000574347310 823705999 /nfs/dbraw/zinc/70/59/99/823705999.db2.gz VIALQXDNJMMSSK-SFHVURJKSA-N 1 1 377.488 4.122 20 0 GIADMO C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000574347617 823706169 /nfs/dbraw/zinc/70/61/69/823706169.db2.gz ZRNOWDBFCFHWNQ-KRWDZBQOSA-N 1 1 394.490 4.003 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000413098851 823706728 /nfs/dbraw/zinc/70/67/28/823706728.db2.gz ATSQRKPYENXBBT-UNMCSNQZSA-N 1 1 399.579 4.062 20 0 GIADMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000574352561 823706776 /nfs/dbraw/zinc/70/67/76/823706776.db2.gz YPZPJDGUPMLOBU-JOCHJYFZSA-N 1 1 397.478 4.343 20 0 GIADMO O=C(NCc1c[nH+]c2n1CCCC2)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000574355980 823707667 /nfs/dbraw/zinc/70/76/67/823707667.db2.gz XBNQVRUOPZHAJU-UHFFFAOYSA-N 1 1 392.478 4.271 20 0 GIADMO CS[C@@H](C)CC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000125806824 823715960 /nfs/dbraw/zinc/71/59/60/823715960.db2.gz UQWFMUBUUZIXSD-RDJZCZTQSA-N 1 1 388.499 4.041 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000413157687 823717560 /nfs/dbraw/zinc/71/75/60/823717560.db2.gz AAIWUYPGDQFASK-TZIWHRDSSA-N 1 1 399.579 4.060 20 0 GIADMO COc1sc(C[NH2+]Cc2c(Cl)cccc2OC)cc1Br ZINC000191634220 823720606 /nfs/dbraw/zinc/72/06/06/823720606.db2.gz UWGQTCUTGNBIGU-UHFFFAOYSA-N 1 1 376.703 4.471 20 0 GIADMO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000191639632 823721558 /nfs/dbraw/zinc/72/15/58/823721558.db2.gz GLHSTRCOJDUNME-UHFFFAOYSA-N 1 1 385.511 4.491 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)o2)cc1 ZINC000163585626 823725756 /nfs/dbraw/zinc/72/57/56/823725756.db2.gz MPQSTCASKDOXIY-LJQANCHMSA-N 1 1 383.536 4.067 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000191659728 823725658 /nfs/dbraw/zinc/72/56/58/823725658.db2.gz WMJWANKEHQEXCO-QGZVFWFLSA-N 1 1 381.442 4.410 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1N1CCCCC1 ZINC000574435192 823728706 /nfs/dbraw/zinc/72/87/06/823728706.db2.gz OHIRBGOOHZTXQA-NZQKXSOJSA-N 1 1 391.559 4.317 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191675255 823729452 /nfs/dbraw/zinc/72/94/52/823729452.db2.gz BKXWULSUNKFBKI-DLBZAZTESA-N 1 1 377.488 4.273 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(Nc3cn(C)nc3C3CC3)c2c1C ZINC000461869275 823729834 /nfs/dbraw/zinc/72/98/34/823729834.db2.gz XCKNOYUUXDSZAW-UHFFFAOYSA-N 1 1 382.537 4.258 20 0 GIADMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]Cc1ccnn1C ZINC000163638000 823730898 /nfs/dbraw/zinc/73/08/98/823730898.db2.gz WHPPVUSBMKZUJQ-UHFFFAOYSA-N 1 1 391.450 4.135 20 0 GIADMO C[C@H](CCc1ccco1)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000574447780 823733156 /nfs/dbraw/zinc/73/31/56/823733156.db2.gz SKNKGMBPHQVFBX-CTNGQTDRSA-N 1 1 383.536 4.202 20 0 GIADMO Cc1c([C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000125877793 823734973 /nfs/dbraw/zinc/73/49/73/823734973.db2.gz AMSRPKWACPNNCD-RDJZCZTQSA-N 1 1 375.948 4.000 20 0 GIADMO Cc1oc2nc(C[NH2+]C(C)(C)c3ccc(OC(F)(F)F)cc3)nc(N)c2c1C ZINC000191695530 823738021 /nfs/dbraw/zinc/73/80/21/823738021.db2.gz YLDKBOUPLIDWNV-UHFFFAOYSA-N 1 1 394.397 4.345 20 0 GIADMO O=C(C(C1CC1)C1CC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163708414 823740213 /nfs/dbraw/zinc/74/02/13/823740213.db2.gz RGUUHFSGMSAZAI-UHFFFAOYSA-N 1 1 380.454 4.176 20 0 GIADMO CC(C)Oc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1 ZINC000574482829 823742823 /nfs/dbraw/zinc/74/28/23/823742823.db2.gz VNTZYLRLQSKHTL-CALCHBBNSA-N 1 1 386.458 4.143 20 0 GIADMO CS[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000163728200 823742868 /nfs/dbraw/zinc/74/28/68/823742868.db2.gz HAGBEVXUYYAHKW-GFCCVEGCSA-N 1 1 390.380 4.009 20 0 GIADMO COc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486445 823744822 /nfs/dbraw/zinc/74/48/22/823744822.db2.gz FXUCBGCTLNKLHP-FGZHOGPDSA-N 1 1 380.532 4.190 20 0 GIADMO COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486445 823744829 /nfs/dbraw/zinc/74/48/29/823744829.db2.gz FXUCBGCTLNKLHP-FGZHOGPDSA-N 1 1 380.532 4.190 20 0 GIADMO C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(Br)c1 ZINC000461905326 823747410 /nfs/dbraw/zinc/74/74/10/823747410.db2.gz ZKPFCASYVFEEOS-IXDOHACOSA-N 1 1 395.385 4.427 20 0 GIADMO CC[N@H+](Cn1nc(-c2cc(OC)c(OC)c(OC)c2)oc1=S)[C@H](C)C(C)C ZINC000064111989 823747937 /nfs/dbraw/zinc/74/79/37/823747937.db2.gz VUBPYCJOMXBUCK-CYBMUJFWSA-N 1 1 395.525 4.222 20 0 GIADMO CC[N@@H+](Cn1nc(-c2cc(OC)c(OC)c(OC)c2)oc1=S)[C@H](C)C(C)C ZINC000064111989 823747939 /nfs/dbraw/zinc/74/79/39/823747939.db2.gz VUBPYCJOMXBUCK-CYBMUJFWSA-N 1 1 395.525 4.222 20 0 GIADMO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000574497090 823748875 /nfs/dbraw/zinc/74/88/75/823748875.db2.gz PZEVISHOFNQEGA-UNEWFSDZSA-N 1 1 376.451 4.396 20 0 GIADMO CCc1nn(C)c(CC)c1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000191731555 823750503 /nfs/dbraw/zinc/75/05/03/823750503.db2.gz MGOPZDQRQXXZMY-UHFFFAOYSA-N 1 1 396.579 4.491 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(Cl)c1Br ZINC000191737530 823752207 /nfs/dbraw/zinc/75/22/07/823752207.db2.gz KYIZXWHTXBCMSX-LBPRGKRZSA-N 1 1 388.737 4.441 20 0 GIADMO Cc1cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1Oc1cccnc1 ZINC000191739404 823752622 /nfs/dbraw/zinc/75/26/22/823752622.db2.gz WHUGTNBBJDIJFK-HXUWFJFHSA-N 1 1 380.517 4.206 20 0 GIADMO Cc1cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1Oc1cccnc1 ZINC000191739404 823752625 /nfs/dbraw/zinc/75/26/25/823752625.db2.gz WHUGTNBBJDIJFK-HXUWFJFHSA-N 1 1 380.517 4.206 20 0 GIADMO COCOc1ccc(OC)cc1C[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000163831659 823752636 /nfs/dbraw/zinc/75/26/36/823752636.db2.gz YSOGBFXWDBIMDP-UHFFFAOYSA-N 1 1 398.503 4.096 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)n1 ZINC000064142323 823754235 /nfs/dbraw/zinc/75/42/35/823754235.db2.gz FMNVGRXRBGIMOD-NVXWUHKLSA-N 1 1 389.446 4.403 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1Br)c1cnn(C)c1 ZINC000163876546 823755958 /nfs/dbraw/zinc/75/59/58/823755958.db2.gz XYOAOKGOSOXANS-NXEZZACHSA-N 1 1 387.119 4.357 20 0 GIADMO CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000461921557 823756618 /nfs/dbraw/zinc/75/66/18/823756618.db2.gz NPCFTXFQFMHRNB-UXLLHSPISA-N 1 1 388.943 4.028 20 0 GIADMO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574530856 823756886 /nfs/dbraw/zinc/75/68/86/823756886.db2.gz JFDMQYKHJKOECT-VQTJNVASSA-N 1 1 390.449 4.046 20 0 GIADMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000574534903 823757371 /nfs/dbraw/zinc/75/73/71/823757371.db2.gz DBLIUCADRJBOSK-QFIPXVFZSA-N 1 1 376.504 4.402 20 0 GIADMO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1F ZINC000163933119 823761993 /nfs/dbraw/zinc/76/19/93/823761993.db2.gz SCTKBFFKSHIPOH-GOSISDBHSA-N 1 1 386.511 4.166 20 0 GIADMO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1F ZINC000163933119 823762002 /nfs/dbraw/zinc/76/20/02/823762002.db2.gz SCTKBFFKSHIPOH-GOSISDBHSA-N 1 1 386.511 4.166 20 0 GIADMO C[C@H](Oc1ccccc1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C(F)(F)F ZINC000574551620 823762888 /nfs/dbraw/zinc/76/28/88/823762888.db2.gz HXKILLGAKWCIER-LSDHHAIUSA-N 1 1 387.446 4.354 20 0 GIADMO O=C(C[C@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)C1)NCc1ccc(F)cc1 ZINC000574570866 823769523 /nfs/dbraw/zinc/76/95/23/823769523.db2.gz UAQSUQHFXPTAGD-QZTJIDSGSA-N 1 1 382.470 4.370 20 0 GIADMO COc1ccc(C(C)(C)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000164066415 823774569 /nfs/dbraw/zinc/77/45/69/823774569.db2.gz VGLAAIPSHUYRGB-QGZVFWFLSA-N 1 1 382.504 4.005 20 0 GIADMO CN(C(=O)c1ccccc1NCc1ccccc1Cl)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000413427046 823775648 /nfs/dbraw/zinc/77/56/48/823775648.db2.gz LOOWPGZOGGRTRM-GOSISDBHSA-N 1 1 383.923 4.261 20 0 GIADMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000191807896 823776546 /nfs/dbraw/zinc/77/65/46/823776546.db2.gz XPJGGPBIAFKSSF-WBVHZDCISA-N 1 1 375.266 4.002 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccccc2N2CCCC2)c1 ZINC000064229987 823776577 /nfs/dbraw/zinc/77/65/77/823776577.db2.gz WBCYBEVAJSWUPR-UHFFFAOYSA-N 1 1 394.563 4.080 20 0 GIADMO COc1cc2cc[nH+]c(N[C@@H](Cn3ccccc3=O)c3ccccc3)c2cc1F ZINC000574599383 823776596 /nfs/dbraw/zinc/77/65/96/823776596.db2.gz LPRGEXWJSDSTTC-FQEVSTJZSA-N 1 1 389.430 4.398 20 0 GIADMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]Cc1cnn(C)c1 ZINC000164099124 823777871 /nfs/dbraw/zinc/77/78/71/823777871.db2.gz SUFZJJPZHDCXFL-UHFFFAOYSA-N 1 1 391.450 4.135 20 0 GIADMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000574607005 823779005 /nfs/dbraw/zinc/77/90/05/823779005.db2.gz SJSJYJWEPIBSBC-IBGZPJMESA-N 1 1 383.561 4.124 20 0 GIADMO O=C(CCCc1ccccc1)N[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000574607005 823779009 /nfs/dbraw/zinc/77/90/09/823779009.db2.gz SJSJYJWEPIBSBC-IBGZPJMESA-N 1 1 383.561 4.124 20 0 GIADMO COc1cccc(C2(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)CC2)c1 ZINC000461978420 823779900 /nfs/dbraw/zinc/77/99/00/823779900.db2.gz RQABKKMMQIOZMO-WOJBJXKFSA-N 1 1 399.579 4.023 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl)N1CCc2sccc2C1 ZINC000064249598 823780425 /nfs/dbraw/zinc/78/04/25/823780425.db2.gz ASSQGDALHSXTRC-SFHVURJKSA-N 1 1 388.964 4.383 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(Cc3ccccn3)ccc2C)C[C@@H]1C ZINC000574620482 823783787 /nfs/dbraw/zinc/78/37/87/823783787.db2.gz ORQAZXALHSPQJK-RXVVDRJESA-N 1 1 380.536 4.317 20 0 GIADMO Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000064311952 823789542 /nfs/dbraw/zinc/78/95/42/823789542.db2.gz VXTCMZSYVIFYHF-RBUKOAKNSA-N 1 1 393.531 4.098 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000462001158 823790145 /nfs/dbraw/zinc/79/01/45/823790145.db2.gz GUPKHOHPHYTCPE-MJGOQNOKSA-N 1 1 399.539 4.094 20 0 GIADMO CC(C)CN(C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCCc2cccnc21 ZINC000164259910 823790945 /nfs/dbraw/zinc/79/09/45/823790945.db2.gz PSJFUNJIBIVJDT-TZIWHRDSSA-N 1 1 386.584 4.105 20 0 GIADMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C[C@H]1C ZINC000191836246 823791491 /nfs/dbraw/zinc/79/14/91/823791491.db2.gz ADKIBPWCLNCKOV-QAPCUYQASA-N 1 1 394.471 4.134 20 0 GIADMO CC[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000164266597 823791604 /nfs/dbraw/zinc/79/16/04/823791604.db2.gz INURURODTLCTNI-FQEVSTJZSA-N 1 1 377.488 4.138 20 0 GIADMO CC(C)N(Cc1cccc(Br)c1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000462015228 823795205 /nfs/dbraw/zinc/79/52/05/823795205.db2.gz NHUUBNGTTUSPOV-HNNXBMFYSA-N 1 1 384.362 4.098 20 0 GIADMO Brc1ccc2c(Cc3noc([C@@H]4CCC[N@@H+]4C4CC4)n3)c[nH]c2c1 ZINC000574674212 823796947 /nfs/dbraw/zinc/79/69/47/823796947.db2.gz HMHWPJKPEPMRRE-INIZCTEOSA-N 1 1 387.281 4.204 20 0 GIADMO Brc1ccc2c(Cc3noc([C@@H]4CCC[N@H+]4C4CC4)n3)c[nH]c2c1 ZINC000574674212 823796953 /nfs/dbraw/zinc/79/69/53/823796953.db2.gz HMHWPJKPEPMRRE-INIZCTEOSA-N 1 1 387.281 4.204 20 0 GIADMO C[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000164345611 823797137 /nfs/dbraw/zinc/79/71/37/823797137.db2.gz BRPAOOCLHJFPSX-XRHLQHRESA-N 1 1 381.545 4.104 20 0 GIADMO C[C@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000164342321 823797433 /nfs/dbraw/zinc/79/74/33/823797433.db2.gz OUQMUFIJLTZURD-SFHVURJKSA-N 1 1 377.488 4.138 20 0 GIADMO CC[N@@H+](CC(=O)NCCc1c(F)cccc1F)[C@@H](C)c1cc2ccccc2o1 ZINC000064349377 823798351 /nfs/dbraw/zinc/79/83/51/823798351.db2.gz ZGPULEXTTKBONS-HNNXBMFYSA-N 1 1 386.442 4.453 20 0 GIADMO COc1ccc(Cn2nc(C)c(C[N@H+]3CCC=C(c4ccco4)C3)c2C)cc1 ZINC000574677609 823798647 /nfs/dbraw/zinc/79/86/47/823798647.db2.gz JFIULNGCGCBKTI-UHFFFAOYSA-N 1 1 377.488 4.439 20 0 GIADMO CC[N@@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349441 823798639 /nfs/dbraw/zinc/79/86/39/823798639.db2.gz XJDKGKSNWAMNBU-OXQOHEQNSA-N 1 1 396.487 4.214 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)C1 ZINC000191881303 823802560 /nfs/dbraw/zinc/80/25/60/823802560.db2.gz CHNUAELSDPEIGS-IBGZPJMESA-N 1 1 390.531 4.056 20 0 GIADMO CN(CCOc1ccccc1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000574698970 823803400 /nfs/dbraw/zinc/80/34/00/823803400.db2.gz DZDDMOOTACQPGM-QFIPXVFZSA-N 1 1 395.547 4.009 20 0 GIADMO CCOc1c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(C)nn1CC(C)C ZINC000574700016 823803804 /nfs/dbraw/zinc/80/38/04/823803804.db2.gz VEKIASZYTYXTIF-UHFFFAOYSA-N 1 1 385.430 4.277 20 0 GIADMO CCOc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000064377966 823804676 /nfs/dbraw/zinc/80/46/76/823804676.db2.gz CLKSDLZDKGMXAX-INIZCTEOSA-N 1 1 389.590 4.345 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)c1ccc([S@](C)=O)cc1 ZINC000164511215 823805737 /nfs/dbraw/zinc/80/57/37/823805737.db2.gz LCLSWEDADCKMAR-KWMCUTETSA-N 1 1 396.556 4.500 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000164523613 823806536 /nfs/dbraw/zinc/80/65/36/823806536.db2.gz ZNHRFQMYWMLAAQ-QGZVFWFLSA-N 1 1 378.472 4.491 20 0 GIADMO 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823880915 /nfs/dbraw/zinc/88/09/15/823880915.db2.gz NDRYYKDWBWUEIS-WZONZLPQSA-N 1 1 392.547 4.372 20 0 GIADMO Cc1nc(-c2ccccc2)c(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000574997279 823882879 /nfs/dbraw/zinc/88/28/79/823882879.db2.gz NJFVIUMOHQCRFK-MGPUTAFESA-N 1 1 382.489 4.094 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)c2cccc(Br)c2)C1 ZINC000462228974 823883188 /nfs/dbraw/zinc/88/31/88/823883188.db2.gz CEEWLLLYMBIENT-HZPDHXFCSA-N 1 1 381.358 4.037 20 0 GIADMO CN1C(=O)C[C@H]([NH2+]Cc2csc(-c3ccoc3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000192159486 823885484 /nfs/dbraw/zinc/88/54/84/823885484.db2.gz QCLLFIADYJPJCN-FUHWJXTLSA-N 1 1 387.892 4.118 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cnc4c(F)cccc4c3)c2)C[C@H](C)O1 ZINC000575007846 823885952 /nfs/dbraw/zinc/88/59/52/823885952.db2.gz RBNYPOAKYYXYRD-IYBDPMFKSA-N 1 1 393.462 4.235 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cnc4c(F)cccc4c3)c2)C[C@H](C)O1 ZINC000575007846 823885959 /nfs/dbraw/zinc/88/59/59/823885959.db2.gz RBNYPOAKYYXYRD-IYBDPMFKSA-N 1 1 393.462 4.235 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cnc4c(F)cccc4c3)c2)C[C@H](C)O1 ZINC000575007844 823885973 /nfs/dbraw/zinc/88/59/73/823885973.db2.gz RBNYPOAKYYXYRD-HOTGVXAUSA-N 1 1 393.462 4.235 20 0 GIADMO CCCn1c2ccccc2nc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000575027034 823892191 /nfs/dbraw/zinc/89/21/91/823892191.db2.gz MMUKLQODVQOJEO-URVUXULASA-N 1 1 375.516 4.451 20 0 GIADMO C[C@H]1C[C@@H](N(C)c2nnc(-c3ccccc3F)n2C)CC[N@H+]1Cc1ccccc1 ZINC000575028166 823893164 /nfs/dbraw/zinc/89/31/64/823893164.db2.gz VGBQTTFPYRQXQV-HKUYNNGSSA-N 1 1 393.510 4.111 20 0 GIADMO Cc1cnn([C@H]2CC[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)c1 ZINC000575030112 823893500 /nfs/dbraw/zinc/89/35/00/823893500.db2.gz YBURHJWCBAGAEO-INIZCTEOSA-N 1 1 387.281 4.056 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)c1 ZINC000575030112 823893502 /nfs/dbraw/zinc/89/35/02/823893502.db2.gz YBURHJWCBAGAEO-INIZCTEOSA-N 1 1 387.281 4.056 20 0 GIADMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(OC(C)C)c1 ZINC000167695775 823894806 /nfs/dbraw/zinc/89/48/06/823894806.db2.gz PXIJIFBVQKJURU-HNNXBMFYSA-N 1 1 379.497 4.176 20 0 GIADMO CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462246860 823895638 /nfs/dbraw/zinc/89/56/38/823895638.db2.gz LZEYJMMXFIATBM-KRWDZBQOSA-N 1 1 387.549 4.188 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C(F)F ZINC000575036246 823896217 /nfs/dbraw/zinc/89/62/17/823896217.db2.gz ITGOWCVZUAMSLV-OALUTQOASA-N 1 1 379.495 4.118 20 0 GIADMO O=C(NCc1ccc(Sc2ccccc2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000462248175 823896809 /nfs/dbraw/zinc/89/68/09/823896809.db2.gz QFAKGLDEVDFLCQ-UHFFFAOYSA-N 1 1 393.512 4.352 20 0 GIADMO C[C@@H](NC(C)(C)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1 ZINC000167860064 823896786 /nfs/dbraw/zinc/89/67/86/823896786.db2.gz GXLIYRIVFVECCL-ZWKOTPCHSA-N 1 1 381.520 4.423 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000167919950 823898205 /nfs/dbraw/zinc/89/82/05/823898205.db2.gz DVCORCKJBCEICR-XHDPSFHLSA-N 1 1 381.293 4.489 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000167927438 823898630 /nfs/dbraw/zinc/89/86/30/823898630.db2.gz DFHCOQJYEGWPJF-HOTGVXAUSA-N 1 1 393.304 4.415 20 0 GIADMO CC(C)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000462254865 823900680 /nfs/dbraw/zinc/90/06/80/823900680.db2.gz KHGUGASOQNLGNY-QGZVFWFLSA-N 1 1 392.590 4.062 20 0 GIADMO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000168269793 823902131 /nfs/dbraw/zinc/90/21/31/823902131.db2.gz BIPKOXQIYZAZEV-GFCCVEGCSA-N 1 1 398.391 4.486 20 0 GIADMO Clc1ccc([C@@H]2CCC[C@@H]([NH2+]C3CCN(C[C@H]4CCOC4)CC3)C2)cc1 ZINC000414081599 823904309 /nfs/dbraw/zinc/90/43/09/823904309.db2.gz FEBSMFCWTDVECE-SFGWALBWSA-N 1 1 376.972 4.457 20 0 GIADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc(Br)c1 ZINC000462263372 823904995 /nfs/dbraw/zinc/90/49/95/823904995.db2.gz OGRCVXJOAJQTIK-JVPBZIDWSA-N 1 1 387.321 4.114 20 0 GIADMO C[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC000575077953 823905414 /nfs/dbraw/zinc/90/54/14/823905414.db2.gz XBPQKFVDUXRYTP-SPEDKVCISA-N 1 1 398.572 4.121 20 0 GIADMO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414086731 823906098 /nfs/dbraw/zinc/90/60/98/823906098.db2.gz ZROVUGCJOZAXMH-INIZCTEOSA-N 1 1 386.542 4.325 20 0 GIADMO CCc1ccc(CN(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C2CC2)cc1 ZINC000462269115 823906885 /nfs/dbraw/zinc/90/68/85/823906885.db2.gz RHGNCAKBMYXOBU-UHFFFAOYSA-N 1 1 392.547 4.427 20 0 GIADMO C[C@H](c1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1)[NH+]1CCOCC1 ZINC000192218375 823906866 /nfs/dbraw/zinc/90/68/66/823906866.db2.gz IBBOQFKAGVSABM-QGZVFWFLSA-N 1 1 379.504 4.279 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccncc1C(F)(F)F ZINC000192226176 823908527 /nfs/dbraw/zinc/90/85/27/823908527.db2.gz OBXQRNCEGMWDES-KRWDZBQOSA-N 1 1 391.437 4.085 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1csc(-c2ccccc2)n1 ZINC000414100422 823909701 /nfs/dbraw/zinc/90/97/01/823909701.db2.gz LHNUYTYAPDJRHA-OCCSQVGLSA-N 1 1 383.439 4.014 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C/C=C/c2ccc(Br)cc2)s1 ZINC000414146515 823918242 /nfs/dbraw/zinc/91/82/42/823918242.db2.gz LLKNKHMAEGLHFI-UFFNRZRYSA-N 1 1 381.295 4.056 20 0 GIADMO C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cc2n(n1)CCC2 ZINC000414159235 823920549 /nfs/dbraw/zinc/92/05/49/823920549.db2.gz YFTNGHLUBLYFRL-BFMBIBTESA-N 1 1 386.543 4.148 20 0 GIADMO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1cc2n(n1)CCC2 ZINC000414159235 823920556 /nfs/dbraw/zinc/92/05/56/823920556.db2.gz YFTNGHLUBLYFRL-BFMBIBTESA-N 1 1 386.543 4.148 20 0 GIADMO CC(C)OC(=O)c1ccc(C[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000575134874 823920552 /nfs/dbraw/zinc/92/05/52/823920552.db2.gz KKKHDAWLXHKSAK-HZCBDIJESA-N 1 1 397.515 4.263 20 0 GIADMO COc1ccc(CCC(=O)N2CCC[N@H+]([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000170646366 823924939 /nfs/dbraw/zinc/92/49/39/823924939.db2.gz IKEIJTBKRZWVQW-SFHVURJKSA-N 1 1 384.495 4.062 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000170648197 823926279 /nfs/dbraw/zinc/92/62/79/823926279.db2.gz RZJPZWAXQQAXNZ-CQSZACIVSA-N 1 1 391.512 4.296 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000170648197 823926281 /nfs/dbraw/zinc/92/62/81/823926281.db2.gz RZJPZWAXQQAXNZ-CQSZACIVSA-N 1 1 391.512 4.296 20 0 GIADMO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccccc2)nc1-c1c[nH]c2ncccc12 ZINC000126683785 823926514 /nfs/dbraw/zinc/92/65/14/823926514.db2.gz YDJPGASDAZOLJW-UHFFFAOYSA-N 1 1 391.500 4.065 20 0 GIADMO Cc1sc(NC(=O)C[N@H+](C)Cc2ccccc2)nc1-c1c[nH]c2ncccc12 ZINC000126683785 823926526 /nfs/dbraw/zinc/92/65/26/823926526.db2.gz YDJPGASDAZOLJW-UHFFFAOYSA-N 1 1 391.500 4.065 20 0 GIADMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000462329810 823926492 /nfs/dbraw/zinc/92/64/92/823926492.db2.gz ZSLPMYYKVNNSPI-SFHVURJKSA-N 1 1 378.303 4.424 20 0 GIADMO CC[C@@H](C)[C@@H]1CN(CCCc2ccncc2)CC[N@H+]1CCCc1ccncc1 ZINC000462335085 823929058 /nfs/dbraw/zinc/92/90/58/823929058.db2.gz SOHUHOJWBMMKTO-QPPBQGQZSA-N 1 1 380.580 4.074 20 0 GIADMO CC[C@@H](C)[C@@H]1C[N@H+](CCCc2ccncc2)CCN1CCCc1ccncc1 ZINC000462335085 823929061 /nfs/dbraw/zinc/92/90/61/823929061.db2.gz SOHUHOJWBMMKTO-QPPBQGQZSA-N 1 1 380.580 4.074 20 0 GIADMO CC[C@@H](C)[C@@H]1C[N@@H+](CCCc2ccncc2)CCN1CCCc1ccncc1 ZINC000462335085 823929066 /nfs/dbraw/zinc/92/90/66/823929066.db2.gz SOHUHOJWBMMKTO-QPPBQGQZSA-N 1 1 380.580 4.074 20 0 GIADMO CC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180428 823932848 /nfs/dbraw/zinc/93/28/48/823932848.db2.gz VGYAFLMFMQNKCY-GGAORHGYSA-N 1 1 389.543 4.271 20 0 GIADMO CC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180428 823932857 /nfs/dbraw/zinc/93/28/57/823932857.db2.gz VGYAFLMFMQNKCY-GGAORHGYSA-N 1 1 389.543 4.271 20 0 GIADMO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2S(C)(=O)=O)c2cccc(Br)c21 ZINC000414231702 823934600 /nfs/dbraw/zinc/93/46/00/823934600.db2.gz HTTZNFFUWMUPGY-BLLLJJGKSA-N 1 1 394.334 4.191 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414231850 823934725 /nfs/dbraw/zinc/93/47/25/823934725.db2.gz CKCDBCFHJIVKLE-ZDUSSCGKSA-N 1 1 380.414 4.126 20 0 GIADMO Nc1c(Cl)cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000192302440 823940443 /nfs/dbraw/zinc/94/04/43/823940443.db2.gz JFYHAYFFUREUOP-MEDUHNTESA-N 1 1 383.323 4.056 20 0 GIADMO Cc1ccc(Br)c(CNC2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000414249366 823940689 /nfs/dbraw/zinc/94/06/89/823940689.db2.gz FFOZQZCRYSFXKF-UHFFFAOYSA-N 1 1 379.264 4.264 20 0 GIADMO CCC[C@]1(CO)CC[N@@H+]([C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000575213857 823940902 /nfs/dbraw/zinc/94/09/02/823940902.db2.gz NSIANTPDAIWVFZ-VWNXMTODSA-N 1 1 396.531 4.168 20 0 GIADMO CCC[C@]1(CO)CC[N@H+]([C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000575213857 823940913 /nfs/dbraw/zinc/94/09/13/823940913.db2.gz NSIANTPDAIWVFZ-VWNXMTODSA-N 1 1 396.531 4.168 20 0 GIADMO CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000126750353 823941528 /nfs/dbraw/zinc/94/15/28/823941528.db2.gz HTQXYXKQDDEPKX-UHFFFAOYSA-N 1 1 393.531 4.048 20 0 GIADMO C[C@H](NC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192314200 823943630 /nfs/dbraw/zinc/94/36/30/823943630.db2.gz MJQLHVGQYZJRGU-NWDGAFQWSA-N 1 1 385.339 4.350 20 0 GIADMO CC[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000414267737 823946726 /nfs/dbraw/zinc/94/67/26/823946726.db2.gz WSAVZPODAOHYEZ-INIZCTEOSA-N 1 1 387.423 4.230 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNCc1cccc(C[NH+]2CCCC2)c1 ZINC000414274304 823949383 /nfs/dbraw/zinc/94/93/83/823949383.db2.gz UPMYYWSLAJUGJF-UHFFFAOYSA-N 1 1 378.495 4.205 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000170708476 823949525 /nfs/dbraw/zinc/94/95/25/823949525.db2.gz VZWVREDKFKETPN-OAQYLSRUSA-N 1 1 395.503 4.113 20 0 GIADMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000126794198 823952982 /nfs/dbraw/zinc/95/29/82/823952982.db2.gz LJFBVTURVVHYGJ-ZDUSSCGKSA-N 1 1 388.886 4.314 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1csnn1 ZINC000414306811 823954642 /nfs/dbraw/zinc/95/46/42/823954642.db2.gz RFMAJEFFNFLESS-DTWKUNHWSA-N 1 1 392.834 4.278 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(-c4cscn4)c3)CC2)c1 ZINC000462387397 823954821 /nfs/dbraw/zinc/95/48/21/823954821.db2.gz GOOKEBBJEWGSES-UHFFFAOYSA-N 1 1 377.513 4.077 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414307490 823955344 /nfs/dbraw/zinc/95/53/44/823955344.db2.gz YSKQXTVOQWIPRW-HNNXBMFYSA-N 1 1 378.563 4.138 20 0 GIADMO CC1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)C1 ZINC000575326783 823956520 /nfs/dbraw/zinc/95/65/20/823956520.db2.gz FRJDGMIZONEAMO-UHFFFAOYSA-N 1 1 391.943 4.073 20 0 GIADMO CC1(C)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)C1 ZINC000575326783 823956522 /nfs/dbraw/zinc/95/65/22/823956522.db2.gz FRJDGMIZONEAMO-UHFFFAOYSA-N 1 1 391.943 4.073 20 0 GIADMO O=C1CC[C@H](c2cccc(N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)c2)N1 ZINC000414317235 823957434 /nfs/dbraw/zinc/95/74/34/823957434.db2.gz OZABJVKTDNLDJY-MOUTVQLLSA-N 1 1 389.543 4.493 20 0 GIADMO COCC[N@@H+](Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000065188404 823957714 /nfs/dbraw/zinc/95/77/14/823957714.db2.gz KGLOLXRMUKJCNO-UHFFFAOYSA-N 1 1 383.323 4.409 20 0 GIADMO C[N@@H+](Cc1ccccc1)C1CCC(Nc2cccc([C@H]3CCC(=O)N3)c2)CC1 ZINC000414327351 823958711 /nfs/dbraw/zinc/95/87/11/823958711.db2.gz YJTBZSAPODYPEM-IQWMQGJTSA-N 1 1 377.532 4.493 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c1 ZINC000575348621 823959986 /nfs/dbraw/zinc/95/99/86/823959986.db2.gz VCOXVNCDPNYLIE-GHTZIAJQSA-N 1 1 393.531 4.235 20 0 GIADMO Fc1ccc(N2CC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)cc1 ZINC000414342625 823961854 /nfs/dbraw/zinc/96/18/54/823961854.db2.gz ITUBULANWGMBDZ-CJTFWIGWSA-N 1 1 379.523 4.190 20 0 GIADMO C[C@H]1CCCN(c2cc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)ccn2)C1 ZINC000462406716 823962138 /nfs/dbraw/zinc/96/21/38/823962138.db2.gz IZYCDOROULZKCR-HNNXBMFYSA-N 1 1 386.927 4.285 20 0 GIADMO COc1ccc(OC(F)F)c(C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)c1 ZINC000414355125 823963283 /nfs/dbraw/zinc/96/32/83/823963283.db2.gz ANWVPODMMAANKA-UHFFFAOYSA-N 1 1 391.393 4.220 20 0 GIADMO CO[C@@](C)(C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1F ZINC000192374513 823964210 /nfs/dbraw/zinc/96/42/10/823964210.db2.gz JTHOQOTYSYUYIX-OYHNWAKOSA-N 1 1 381.451 4.059 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)N[C@H](c1cccs1)c1ccccc1 ZINC000575398419 823966391 /nfs/dbraw/zinc/96/63/91/823966391.db2.gz LYQQKSAOWMZHMU-VIZSFHNOSA-N 1 1 398.572 4.235 20 0 GIADMO COC(=O)[C@H](C)[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C1CCC1 ZINC000192386380 823967538 /nfs/dbraw/zinc/96/75/38/823967538.db2.gz MEUVOLXBAJLJAO-KRWDZBQOSA-N 1 1 380.488 4.098 20 0 GIADMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3Br)CC2)c(C)o1 ZINC000170777138 823968527 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393.462 4.166 20 0 GIADMO CCc1ncc(C[N@@H+](CCc2ccc(OC)c(OC)c2)Cc2ccsc2)cn1 ZINC000414414550 823976674 /nfs/dbraw/zinc/97/66/74/823976674.db2.gz TWEWWYMHEVCIHG-UHFFFAOYSA-N 1 1 397.544 4.363 20 0 GIADMO CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000170820010 823979702 /nfs/dbraw/zinc/97/97/02/823979702.db2.gz OFMFMGXSRMPDEK-SFHVURJKSA-N 1 1 393.531 4.034 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(C)c1Br ZINC000192420176 823982424 /nfs/dbraw/zinc/98/24/24/823982424.db2.gz JJUPAKPHHNXVNE-HOCLYGCPSA-N 1 1 380.330 4.014 20 0 GIADMO CC(C)(C)[C@@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(F)(F)F ZINC000575736620 823983591 /nfs/dbraw/zinc/98/35/91/823983591.db2.gz ZEXBPVXMAUIPIH-XLIONFOSSA-N 1 1 397.485 4.271 20 0 GIADMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414437066 823986025 /nfs/dbraw/zinc/98/60/25/823986025.db2.gz TXEOCASGRVJCND-HNNXBMFYSA-N 1 1 380.414 4.075 20 0 GIADMO 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GIADMO CCOc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc(Br)c1O ZINC000414542362 824006544 /nfs/dbraw/zinc/00/65/44/824006544.db2.gz RHLCIKDXOBMIIV-GOSISDBHSA-N 1 1 398.341 4.190 20 0 GIADMO C[C@H](Oc1ccc(Cl)c(Cl)c1)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000575836342 824008151 /nfs/dbraw/zinc/00/81/51/824008151.db2.gz BJBMBAHXHGLYTP-GYOIFBIXSA-N 1 1 398.290 4.442 20 0 GIADMO C[C@H](Oc1ccc(Cl)c(Cl)c1)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000575836342 824008156 /nfs/dbraw/zinc/00/81/56/824008156.db2.gz BJBMBAHXHGLYTP-GYOIFBIXSA-N 1 1 398.290 4.442 20 0 GIADMO CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000127057026 824008472 /nfs/dbraw/zinc/00/84/72/824008472.db2.gz INEYZYKYRBBBQB-UHFFFAOYSA-N 1 1 395.503 4.107 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000414551121 824009431 /nfs/dbraw/zinc/00/94/31/824009431.db2.gz AWVDQLQSISJFJD-DOTOQJQBSA-N 1 1 380.554 4.329 20 0 GIADMO Fc1cc(C[NH2+]Cc2c(F)cccc2Br)ccc1-n1ccnc1 ZINC000192503748 824013509 /nfs/dbraw/zinc/01/35/09/824013509.db2.gz HXYFIWLGNYSSFZ-UHFFFAOYSA-N 1 1 378.220 4.203 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1nc(-c3cc4ccccc4o3)cs1)C2 ZINC000575857801 824013884 /nfs/dbraw/zinc/01/38/84/824013884.db2.gz ZPHLITFDFVBYLP-CQSZACIVSA-N 1 1 378.457 4.262 20 0 GIADMO COCc1ccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000192512648 824016450 /nfs/dbraw/zinc/01/64/50/824016450.db2.gz VHZOFTCBJYIRJR-UHFFFAOYSA-N 1 1 381.520 4.005 20 0 GIADMO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000170959752 824019547 /nfs/dbraw/zinc/01/95/47/824019547.db2.gz WXRRJFGCYWUJBT-UHFFFAOYSA-N 1 1 389.471 4.312 20 0 GIADMO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000575885429 824020453 /nfs/dbraw/zinc/02/04/53/824020453.db2.gz NYFYZUHYNYLGMS-GOSISDBHSA-N 1 1 382.533 4.127 20 0 GIADMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000575885429 824020459 /nfs/dbraw/zinc/02/04/59/824020459.db2.gz NYFYZUHYNYLGMS-GOSISDBHSA-N 1 1 382.533 4.127 20 0 GIADMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000575889230 824020901 /nfs/dbraw/zinc/02/09/01/824020901.db2.gz KQWXWFNTHGFQAA-CQSZACIVSA-N 1 1 391.441 4.188 20 0 GIADMO CC[N@@H+]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C)C1 ZINC000575891119 824021767 /nfs/dbraw/zinc/02/17/67/824021767.db2.gz MGKUFKWUJGGHEM-NSHDSACASA-N 1 1 384.332 4.283 20 0 GIADMO CC[N@H+]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)[C@@H](C)C1 ZINC000575891119 824021769 /nfs/dbraw/zinc/02/17/69/824021769.db2.gz MGKUFKWUJGGHEM-NSHDSACASA-N 1 1 384.332 4.283 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1C(=O)N(C)C(C)C ZINC000192546313 824027834 /nfs/dbraw/zinc/02/78/34/824027834.db2.gz IFARANLKKPUNIP-SFHVURJKSA-N 1 1 385.552 4.069 20 0 GIADMO C[C@@H]1CN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000575943939 824033969 /nfs/dbraw/zinc/03/39/69/824033969.db2.gz WCQBPQNLLPYZNL-SFHVURJKSA-N 1 1 397.563 4.152 20 0 GIADMO COCc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000192567237 824034311 /nfs/dbraw/zinc/03/43/11/824034311.db2.gz NJVUKPUZBAHEMR-AVRDEDQJSA-N 1 1 381.520 4.350 20 0 GIADMO COCc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000192570629 824035097 /nfs/dbraw/zinc/03/50/97/824035097.db2.gz GSKGJBUTYWNQNU-JTHBVZDNSA-N 1 1 393.531 4.351 20 0 GIADMO C[C@@H]([NH3+])c1ccc(CNCc2cc(Br)ccc2OC(F)F)cc1 ZINC000414811227 824038258 /nfs/dbraw/zinc/03/82/58/824038258.db2.gz PITDHFSMVKHKDD-LLVKDONJSA-N 1 1 385.252 4.360 20 0 GIADMO CCCOc1c(Br)cc(CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414855822 824042574 /nfs/dbraw/zinc/04/25/74/824042574.db2.gz NSYJWQZMSLPBDP-ZBFHGGJFSA-N 1 1 399.373 4.114 20 0 GIADMO FC(F)(F)c1cc(CNCCC[NH2+]Cc2cccnc2)cc(C(F)(F)F)c1 ZINC000414878508 824044315 /nfs/dbraw/zinc/04/43/15/824044315.db2.gz NYEXXWIYXWWRFD-UHFFFAOYSA-N 1 1 391.359 4.389 20 0 GIADMO C[C@H]1CN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CCCO1 ZINC000171046811 824046959 /nfs/dbraw/zinc/04/69/59/824046959.db2.gz CXWYRXYJHZGQBZ-HNNXBMFYSA-N 1 1 382.533 4.035 20 0 GIADMO COc1cc(CN[C@H](C)CC[NH3+])ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414903497 824048104 /nfs/dbraw/zinc/04/81/04/824048104.db2.gz ZVRRYPBCGXQHSB-CQSZACIVSA-N 1 1 382.426 4.120 20 0 GIADMO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000414906768 824048435 /nfs/dbraw/zinc/04/84/35/824048435.db2.gz AHJQLIHUDQBJBZ-LJQANCHMSA-N 1 1 388.302 4.324 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C2(C(F)(F)F)CCCC2)C[C@@H](C)O1 ZINC000414919262 824049984 /nfs/dbraw/zinc/04/99/84/824049984.db2.gz UOVKTIUQNCBJNJ-HZPDHXFCSA-N 1 1 398.469 4.035 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2cscc2C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000576020562 824051517 /nfs/dbraw/zinc/05/15/17/824051517.db2.gz ARTTWIALHMTLHD-BLLLJJGKSA-N 1 1 391.480 4.339 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@H]2CCCc3cc(N)ccc32)c(OC)c1 ZINC000414934858 824051763 /nfs/dbraw/zinc/05/17/63/824051763.db2.gz TZCQAQPGRZUYSP-SFHVURJKSA-N 1 1 391.309 4.216 20 0 GIADMO COc1ccc(OCc2nc(C[NH2+][C@H]3CCCc4cc(N)ccc43)cs2)cc1 ZINC000414940714 824052286 /nfs/dbraw/zinc/05/22/86/824052286.db2.gz XTXMXCCGHIISHO-NRFANRHFSA-N 1 1 395.528 4.480 20 0 GIADMO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000414940815 824052479 /nfs/dbraw/zinc/05/24/79/824052479.db2.gz YAJNNJWGGLEDHD-SFHVURJKSA-N 1 1 388.302 4.324 20 0 GIADMO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)C[C@@H](C)O1 ZINC000192636700 824052677 /nfs/dbraw/zinc/05/26/77/824052677.db2.gz RKNOXKLCWAIURA-KHCICDEESA-N 1 1 379.548 4.332 20 0 GIADMO CCCN(Cc1nnc(-c2ccco2)o1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000171065949 824053647 /nfs/dbraw/zinc/05/36/47/824053647.db2.gz DUDYQGLVHMPCHF-LJQANCHMSA-N 1 1 380.492 4.206 20 0 GIADMO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(OCc2ccncc2)cc1 ZINC000171066581 824054405 /nfs/dbraw/zinc/05/44/05/824054405.db2.gz RVMPRRPRFPGFLN-UHFFFAOYSA-N 1 1 397.425 4.009 20 0 GIADMO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(OCc2ccncc2)cc1 ZINC000171066581 824054410 /nfs/dbraw/zinc/05/44/10/824054410.db2.gz RVMPRRPRFPGFLN-UHFFFAOYSA-N 1 1 397.425 4.009 20 0 GIADMO COc1cc2c(cc1C[N@@H+](CCc1ccccc1)Cc1ccncc1)OCO2 ZINC000013990132 207005543 /nfs/dbraw/zinc/00/55/43/207005543.db2.gz KDDQJZHMDXCYQQ-UHFFFAOYSA-N 1 1 376.456 4.064 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1)c1ccccc1Cl ZINC000014628827 207025332 /nfs/dbraw/zinc/02/53/32/207025332.db2.gz FXIORZPEHGXHHU-MRXNPFEDSA-N 1 1 381.701 4.135 20 0 GIADMO CC1CC[NH+]([C@H](CNS(=O)(=O)c2ccccc2Cl)c2cccs2)CC1 ZINC000023994501 207285413 /nfs/dbraw/zinc/28/54/13/207285413.db2.gz JCGNPTVFGNZEGR-MRXNPFEDSA-N 1 1 398.981 4.153 20 0 GIADMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C)cc1Cl)c1ccsc1 ZINC000030435941 207371302 /nfs/dbraw/zinc/37/13/02/207371302.db2.gz PBLXSMWUZDJAMH-MRXNPFEDSA-N 1 1 386.970 4.071 20 0 GIADMO Cc1ccccc1C[N@H+]1CC[C@@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096080414 208262351 /nfs/dbraw/zinc/26/23/51/208262351.db2.gz ZJBZVPYLYZFRHI-RUZDIDTESA-N 1 1 385.511 4.434 20 0 GIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3C[C@H]3[C@@H](F)C2)n1 ZINC001164432481 718965703 /nfs/dbraw/zinc/96/57/03/718965703.db2.gz XYEIJLDEPKCBGJ-INMHGKMJSA-N 1 1 382.508 4.214 20 0 GIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4cc(Oc5ccccc5)ncn4)[C@H]3C2)cc1 ZINC001164621861 719064170 /nfs/dbraw/zinc/06/41/70/719064170.db2.gz IAFZSVQYXOUZQC-IRLDBZIGSA-N 1 1 386.499 4.370 20 0 GIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164625937 719069886 /nfs/dbraw/zinc/06/98/86/719069886.db2.gz NTGHREHBQDFJMK-SJORKVTESA-N 1 1 381.911 4.021 20 0 GIADMO Clc1ccc2c(cnnc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626602 719080437 /nfs/dbraw/zinc/08/04/37/719080437.db2.gz OSKQEFBNGAXNQW-LAUBAEHRSA-N 1 1 378.907 4.384 20 0 GIADMO c1csc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164621670 719086061 /nfs/dbraw/zinc/08/60/61/719086061.db2.gz HKAFZQQORJYWIU-ICSRJNTNSA-N 1 1 376.529 4.306 20 0 GIADMO Fc1ccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164625169 719100982 /nfs/dbraw/zinc/10/09/82/719100982.db2.gz GXZWGFICYPTFJJ-REWPJTCUSA-N 1 1 388.490 4.384 20 0 GIADMO Fc1cccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164632520 719103562 /nfs/dbraw/zinc/10/35/62/719103562.db2.gz ZQZNIDJWYKCPHE-NFBKMPQASA-N 1 1 388.490 4.384 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164632266 719184920 /nfs/dbraw/zinc/18/49/20/719184920.db2.gz DRXCSRCWGUKLDC-VHSXEESVSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2nc(Cl)nc(Cl)c2c1 ZINC001164632266 719184927 /nfs/dbraw/zinc/18/49/27/719184927.db2.gz DRXCSRCWGUKLDC-VHSXEESVSA-N 1 1 375.250 4.010 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc(C)c2C)CC3)cs1 ZINC001164692862 719803208 /nfs/dbraw/zinc/80/32/08/719803208.db2.gz QBIYFJOVJYJDLX-UHFFFAOYSA-N 1 1 391.972 4.147 20 0 GIADMO Cc1c[nH]c2nc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)ccc12 ZINC001164694536 719806825 /nfs/dbraw/zinc/80/68/25/719806825.db2.gz ZZSCYINMCIWPGP-UHFFFAOYSA-N 1 1 381.549 4.271 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4cnccc42)CC3)cs1 ZINC001164692082 719811455 /nfs/dbraw/zinc/81/14/55/719811455.db2.gz LJQMDSFHVYILIX-UHFFFAOYSA-N 1 1 379.533 4.030 20 0 GIADMO c1csc(C[N@H+]2CCOC3(CCN(c4ccc5ccccc5n4)CC3)C2)c1 ZINC001164698160 719886052 /nfs/dbraw/zinc/88/60/52/719886052.db2.gz DJMZOXUVIWCKIW-UHFFFAOYSA-N 1 1 379.529 4.168 20 0 GIADMO Clc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001164705368 719886666 /nfs/dbraw/zinc/88/66/66/719886666.db2.gz YISMECBWXITKEV-UHFFFAOYSA-N 1 1 398.359 4.321 20 0 GIADMO Fc1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc2c1 ZINC001164695682 719891460 /nfs/dbraw/zinc/89/14/60/719891460.db2.gz QRSUFFNAUYBLNT-UHFFFAOYSA-N 1 1 397.519 4.307 20 0 GIADMO Fc1ccc2cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ncc2c1 ZINC001164707547 719899335 /nfs/dbraw/zinc/89/93/35/719899335.db2.gz TYBYCNYJROKFRH-UHFFFAOYSA-N 1 1 397.519 4.307 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3c(C)ccc(F)c3cc1C)C2 ZINC001164813241 720137720 /nfs/dbraw/zinc/13/77/20/720137720.db2.gz PXJXVXBTMHIUGA-CYFREDJKSA-N 1 1 397.538 4.175 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164811129 720137990 /nfs/dbraw/zinc/13/79/90/720137990.db2.gz LOJBYDJLJKLDKU-GCJKJVERSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccc(Cl)cc3n1)C2 ZINC001164815873 720139516 /nfs/dbraw/zinc/13/95/16/720139516.db2.gz WRMRUKJHIYYAGM-FDDCHVKYSA-N 1 1 399.966 4.381 20 0 GIADMO COc1cccc2c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164721184 720328613 /nfs/dbraw/zinc/32/86/13/720328613.db2.gz BAFWXKCRFKXMLO-MSOLQXFVSA-N 1 1 394.906 4.145 20 0 GIADMO COc1cccc2c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164721186 720330440 /nfs/dbraw/zinc/33/04/40/720330440.db2.gz BAFWXKCRFKXMLO-ROUUACIJSA-N 1 1 394.906 4.145 20 0 GIADMO COc1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c2cc(Cl)ccc12 ZINC001164731286 720384665 /nfs/dbraw/zinc/38/46/65/720384665.db2.gz ZAMZPEOJQOIKMT-PMACEKPBSA-N 1 1 394.906 4.145 20 0 GIADMO COc1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c2cc(Cl)ccc12 ZINC001164731289 720385583 /nfs/dbraw/zinc/38/55/83/720385583.db2.gz ZAMZPEOJQOIKMT-UXHICEINSA-N 1 1 394.906 4.145 20 0 GIADMO Clc1ncc(-c2ccccc2)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725892 720388029 /nfs/dbraw/zinc/38/80/29/720388029.db2.gz OBXITKJPVUOPQG-VQTJNVASSA-N 1 1 391.906 4.045 20 0 GIADMO Clc1ncc(-c2ccccc2)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164725895 720388266 /nfs/dbraw/zinc/38/82/66/720388266.db2.gz OBXITKJPVUOPQG-WOJBJXKFSA-N 1 1 391.906 4.045 20 0 GIADMO Cc1ccc(F)c2cc(C)c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164726512 720406026 /nfs/dbraw/zinc/40/60/26/720406026.db2.gz PAONMNVFOHQTCT-NHCUHLMSSA-N 1 1 376.479 4.239 20 0 GIADMO CC(C)c1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc(C(C)(C)C)n1 ZINC001164729325 720456539 /nfs/dbraw/zinc/45/65/39/720456539.db2.gz GYOCSDGEVYTWOO-RTBURBONSA-N 1 1 379.552 4.146 20 0 GIADMO Cc1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c1 ZINC001164840699 720507568 /nfs/dbraw/zinc/50/75/68/720507568.db2.gz XICCOENKHJXLLJ-QNWVGRARSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1cccc2c1ccnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838519 720548028 /nfs/dbraw/zinc/54/80/28/720548028.db2.gz OGXWREKRIWFRHZ-MIZPHKNDSA-N 1 1 389.547 4.118 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(n1)CCCC3)CC2 ZINC001164845349 720682929 /nfs/dbraw/zinc/68/29/29/720682929.db2.gz YLEQCNHBMDSCKB-QFIPXVFZSA-N 1 1 391.559 4.220 20 0 GIADMO CC(C)Oc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839787 720696597 /nfs/dbraw/zinc/69/65/97/720696597.db2.gz BVGPHEDZFZBTKT-NRFANRHFSA-N 1 1 395.547 4.129 20 0 GIADMO CC(C)Oc1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839787 720696599 /nfs/dbraw/zinc/69/65/99/720696599.db2.gz BVGPHEDZFZBTKT-NRFANRHFSA-N 1 1 395.547 4.129 20 0 GIADMO CSc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001164841787 720707905 /nfs/dbraw/zinc/70/79/05/720707905.db2.gz XAKZGMMIWPEHSQ-FQEVSTJZSA-N 1 1 397.588 4.372 20 0 GIADMO CSCc1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164841667 720722630 /nfs/dbraw/zinc/72/26/30/720722630.db2.gz VLQHGVRSBWPFAS-NRFANRHFSA-N 1 1 397.588 4.205 20 0 GIADMO Cc1cc(C(C)C)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840971 720725823 /nfs/dbraw/zinc/72/58/23/720725823.db2.gz TXWGGQWUDFFDHI-OAQYLSRUSA-N 1 1 394.563 4.168 20 0 GIADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc2c(C)cccc12 ZINC001164859873 720927630 /nfs/dbraw/zinc/92/76/30/720927630.db2.gz QHEZDAOHJNRWQV-GOSISDBHSA-N 1 1 377.536 4.470 20 0 GIADMO Cc1c(Cl)nc(C(C)C)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858807 721017219 /nfs/dbraw/zinc/01/72/19/721017219.db2.gz HEQYWTINHZEJRM-OAHLLOKOSA-N 1 1 390.963 4.180 20 0 GIADMO COc1cc2ccnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)c2cc1F ZINC001164861042 721018691 /nfs/dbraw/zinc/01/86/91/721018691.db2.gz NDBZEJWURPSLKQ-OAHLLOKOSA-N 1 1 397.498 4.000 20 0 GIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164861031 721023818 /nfs/dbraw/zinc/02/38/18/721023818.db2.gz NBJYLEPYSVSQHL-CVEARBPZSA-N 1 1 395.555 4.089 20 0 GIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cccc3ccnc(Cl)c31)CC2 ZINC001164876384 721325778 /nfs/dbraw/zinc/32/57/78/721325778.db2.gz GQNGZZLWYVSQQJ-UHFFFAOYSA-N 1 1 394.853 4.068 20 0 GIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC(=O)N3c2ccsc2)nc1 ZINC001164881281 721359508 /nfs/dbraw/zinc/35/95/08/721359508.db2.gz AVORWHIEXZIKPP-VAMGGRTRSA-N 1 1 396.560 4.074 20 0 GIADMO Fc1ccc2c(c1)cc(Cl)nc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783734 721389181 /nfs/dbraw/zinc/38/91/81/721389181.db2.gz OFSLURVXVIIMFZ-OKILXGFUSA-N 1 1 388.899 4.052 20 0 GIADMO Fc1ccc2c(c1)cc(Cl)nc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783734 721389182 /nfs/dbraw/zinc/38/91/82/721389182.db2.gz OFSLURVXVIIMFZ-OKILXGFUSA-N 1 1 388.899 4.052 20 0 GIADMO Clc1cnc(Cl)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1Cl ZINC001164780589 721411989 /nfs/dbraw/zinc/41/19/89/721411989.db2.gz BKKGGJXJDYGCTP-UWVGGRQHSA-N 1 1 389.739 4.067 20 0 GIADMO Cc1ccc2c(c1)cc(Cl)nc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783187 721420005 /nfs/dbraw/zinc/42/00/05/721420005.db2.gz HMRVTJTUXBPCEE-IYBDPMFKSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1ccc2c(c1)cc(Cl)nc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783187 721420008 /nfs/dbraw/zinc/42/00/08/721420008.db2.gz HMRVTJTUXBPCEE-IYBDPMFKSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1c(Cl)ccc2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc21 ZINC001164780596 721421652 /nfs/dbraw/zinc/42/16/52/721421652.db2.gz BMZQGMFRATWWCM-HOTGVXAUSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1ccc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164791946 721492702 /nfs/dbraw/zinc/49/27/02/721492702.db2.gz FZZHSLJPLVNZBC-UHFFFAOYSA-N 1 1 387.531 4.214 20 0 GIADMO Cc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc2ccccc12 ZINC001164792319 721494235 /nfs/dbraw/zinc/49/42/35/721494235.db2.gz OKIRRXWYRQRPED-UHFFFAOYSA-N 1 1 387.531 4.214 20 0 GIADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3CCC[C@@H](OCC4CC4)[C@H]3C2)n1 ZINC001164899825 721497732 /nfs/dbraw/zinc/49/77/32/721497732.db2.gz LIFAVQPKPIMROM-YSIASYRMSA-N 1 1 389.971 4.362 20 0 GIADMO Cc1cc(C(C)C)nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796586 721504155 /nfs/dbraw/zinc/50/41/55/721504155.db2.gz SSBLRWVGSQTSEA-UHFFFAOYSA-N 1 1 379.552 4.184 20 0 GIADMO Cc1cccc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164906518 721560587 /nfs/dbraw/zinc/56/05/87/721560587.db2.gz JRVUNEHZCKBGNQ-FPOVZHCZSA-N 1 1 377.463 4.024 20 0 GIADMO Fc1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907920 721692589 /nfs/dbraw/zinc/69/25/89/721692589.db2.gz WNMGOJFVYNELMO-GOSISDBHSA-N 1 1 396.844 4.007 20 0 GIADMO Cc1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1Cl ZINC001164906667 721700735 /nfs/dbraw/zinc/70/07/35/721700735.db2.gz OGCKRCYVKFLQPU-LJQANCHMSA-N 1 1 392.881 4.176 20 0 GIADMO Cc1csc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165019641 721799748 /nfs/dbraw/zinc/79/97/48/721799748.db2.gz DKDZUCGRNFEXGZ-YTQUADARSA-N 1 1 393.560 4.132 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c3CCC4)C[C@H]21 ZINC001165025007 721806911 /nfs/dbraw/zinc/80/69/11/721806911.db2.gz NAUJJOWJWALGFY-OZOXKJRCSA-N 1 1 396.966 4.356 20 0 GIADMO CC(C)COc1cccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165027312 721820418 /nfs/dbraw/zinc/82/04/18/721820418.db2.gz UHDMOCNJIVDXAJ-KSEOMHKRSA-N 1 1 394.563 4.248 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(-c4ccccc4)ncn3)C[C@@H]21 ZINC001165029647 721823143 /nfs/dbraw/zinc/82/31/43/721823143.db2.gz XJFRDSFWDMZWTQ-JCTONOIOSA-N 1 1 399.542 4.276 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)(C)C)n1 ZINC001165019923 721825812 /nfs/dbraw/zinc/82/58/12/721825812.db2.gz CNDXLMZVNVOPLL-SESVDKBCSA-N 1 1 393.579 4.214 20 0 GIADMO Clc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164952730 722012616 /nfs/dbraw/zinc/01/26/16/722012616.db2.gz ASLIWPDAFZNDFG-UHFFFAOYSA-N 1 1 377.319 4.276 20 0 GIADMO Clc1ccc2ncnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164954885 722014749 /nfs/dbraw/zinc/01/47/49/722014749.db2.gz QIKHUMYEQWGFSE-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO c1csc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)c1 ZINC001164955284 722019434 /nfs/dbraw/zinc/01/94/34/722019434.db2.gz DGOUOHZJQNUKIJ-UHFFFAOYSA-N 1 1 391.544 4.093 20 0 GIADMO Cc1nc2sccc2c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993629 722190930 /nfs/dbraw/zinc/19/09/30/722190930.db2.gz FYNQTZHKFBOFMW-NRFANRHFSA-N 1 1 382.508 4.384 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4nc(Cl)ccc42)C3)c1 ZINC001164995582 722194711 /nfs/dbraw/zinc/19/47/11/722194711.db2.gz VSEDRSNNNBSHJS-OAQYLSRUSA-N 1 1 397.885 4.062 20 0 GIADMO CSc1ncc(Cl)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995149 722194979 /nfs/dbraw/zinc/19/49/79/722194979.db2.gz SEBKLJILLOMLQA-IBGZPJMESA-N 1 1 392.931 4.236 20 0 GIADMO CSc1ncc(Cl)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995149 722194983 /nfs/dbraw/zinc/19/49/83/722194983.db2.gz SEBKLJILLOMLQA-IBGZPJMESA-N 1 1 392.931 4.236 20 0 GIADMO Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2ccccc12 ZINC001164995759 722198457 /nfs/dbraw/zinc/19/84/57/722198457.db2.gz XTWGAMSCZTYONY-QHCPKHFHSA-N 1 1 376.479 4.322 20 0 GIADMO COc1ccc2c(c1)ncnc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994996 722199895 /nfs/dbraw/zinc/19/98/95/722199895.db2.gz KEYBKJPLDDYHLV-QHCPKHFHSA-N 1 1 392.478 4.022 20 0 GIADMO COc1ccc(Cl)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995438 722200243 /nfs/dbraw/zinc/20/02/43/722200243.db2.gz NSCFBSDNCOIFSX-HXUWFJFHSA-N 1 1 375.875 4.128 20 0 GIADMO COc1ccc(Cl)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995438 722200247 /nfs/dbraw/zinc/20/02/47/722200247.db2.gz NSCFBSDNCOIFSX-HXUWFJFHSA-N 1 1 375.875 4.128 20 0 GIADMO CSc1cnc(Cl)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993718 722200851 /nfs/dbraw/zinc/20/08/51/722200851.db2.gz ADMPJBYBFXJXNF-IBGZPJMESA-N 1 1 392.931 4.236 20 0 GIADMO COc1ccc(Cl)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996700 722202169 /nfs/dbraw/zinc/20/21/69/722202169.db2.gz VUJZRCLNDUUKON-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000187344684 823046620 /nfs/dbraw/zinc/04/66/20/823046620.db2.gz PRIJMPUQTGQKDW-XXBNENTESA-N 1 1 399.579 4.019 20 0 GIADMO C[C@H]1C[C@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000458490961 823046939 /nfs/dbraw/zinc/04/69/39/823046939.db2.gz JMJNOMOOIATNCU-DOTOQJQBSA-N 1 1 383.458 4.023 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1cccnc1OCC(F)F ZINC000187346494 823047051 /nfs/dbraw/zinc/04/70/51/823047051.db2.gz LAVGOIHARPJTPI-UHFFFAOYSA-N 1 1 385.414 4.086 20 0 GIADMO Cc1csc([C@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000175825231 823048842 /nfs/dbraw/zinc/04/88/42/823048842.db2.gz WHBGFRFGWDNMLC-AZUAARDMSA-N 1 1 398.576 4.066 20 0 GIADMO COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)o2)cc1 ZINC000175826725 823049255 /nfs/dbraw/zinc/04/92/55/823049255.db2.gz MTPMABFAAWKEFI-AEFFLSMTSA-N 1 1 384.501 4.500 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)NCCCC[N@@H+](C)C3CC3)s2)cc1 ZINC000458512700 823049575 /nfs/dbraw/zinc/04/95/75/823049575.db2.gz ZLXGAJQFVVRKMT-UHFFFAOYSA-N 1 1 387.549 4.097 20 0 GIADMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(C)c1C ZINC000175847920 823054254 /nfs/dbraw/zinc/05/42/54/823054254.db2.gz JXLWBNNTZXSJHL-HOTGVXAUSA-N 1 1 378.563 4.261 20 0 GIADMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(C)c1C ZINC000175847920 823054258 /nfs/dbraw/zinc/05/42/58/823054258.db2.gz JXLWBNNTZXSJHL-HOTGVXAUSA-N 1 1 378.563 4.261 20 0 GIADMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000570550262 823052996 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4.023 20 0 GIADMO Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000570588776 823058205 /nfs/dbraw/zinc/05/82/05/823058205.db2.gz KDODVAGIJWMZIQ-HZPDHXFCSA-N 1 1 394.441 4.028 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000570587838 823058310 /nfs/dbraw/zinc/05/83/10/823058310.db2.gz RMYHRUQBQPLRJG-AWEZNQCLSA-N 1 1 394.382 4.393 20 0 GIADMO Cc1nn(C)c2ncc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3cccs3)cc12 ZINC000175863803 823058390 /nfs/dbraw/zinc/05/83/90/823058390.db2.gz SZBLKGPJICHCDF-MJGOQNOKSA-N 1 1 384.549 4.207 20 0 GIADMO OCC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(Cl)cc1 ZINC000570592687 823059073 /nfs/dbraw/zinc/05/90/73/823059073.db2.gz GJTJRNOGCUZGPZ-XBYSBRQOSA-N 1 1 384.951 4.264 20 0 GIADMO OCC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(Cl)cc1 ZINC000570592687 823059079 /nfs/dbraw/zinc/05/90/79/823059079.db2.gz GJTJRNOGCUZGPZ-XBYSBRQOSA-N 1 1 384.951 4.264 20 0 GIADMO COc1ccc([C@@H](NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c2ccco2)cc1 ZINC000458588219 823060076 /nfs/dbraw/zinc/06/00/76/823060076.db2.gz WEINMPCKCIBWAZ-XMSQKQJNSA-N 1 1 399.535 4.045 20 0 GIADMO COc1ccc2nc(C[NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)sc2c1 ZINC000187423890 823061106 /nfs/dbraw/zinc/06/11/06/823061106.db2.gz KVCGGYVXASUORE-CQSZACIVSA-N 1 1 381.501 4.283 20 0 GIADMO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000570605665 823061312 /nfs/dbraw/zinc/06/13/12/823061312.db2.gz AKYOEPZBAAQIHD-TUNNFDKTSA-N 1 1 397.950 4.400 20 0 GIADMO CN(C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C1c2ccccc2-c2ccccc21 ZINC000175876438 823061852 /nfs/dbraw/zinc/06/18/52/823061852.db2.gz MWVNOMFZOARKCI-FQEVSTJZSA-N 1 1 375.472 4.294 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000570613510 823062483 /nfs/dbraw/zinc/06/24/83/823062483.db2.gz WZZZILCEKKMDMS-RHSMWYFYSA-N 1 1 382.346 4.024 20 0 GIADMO C[NH+](C)C[C@@H](NC(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000570616057 823062950 /nfs/dbraw/zinc/06/29/50/823062950.db2.gz LLLBUGZXJGWDNV-GOSISDBHSA-N 1 1 394.849 4.000 20 0 GIADMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000055902115 823063964 /nfs/dbraw/zinc/06/39/64/823063964.db2.gz MPFQTPWCZDMRMX-INIZCTEOSA-N 1 1 379.460 4.045 20 0 GIADMO COc1ccccc1C[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1CC1 ZINC000055904705 823064719 /nfs/dbraw/zinc/06/47/19/823064719.db2.gz FCDXTWIGAKWFJY-UHFFFAOYSA-N 1 1 390.483 4.383 20 0 GIADMO COc1ccccc1C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1CC1 ZINC000055904705 823064726 /nfs/dbraw/zinc/06/47/26/823064726.db2.gz FCDXTWIGAKWFJY-UHFFFAOYSA-N 1 1 390.483 4.383 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000055908667 823065652 /nfs/dbraw/zinc/06/56/52/823065652.db2.gz KZTQXDIEFNNZBG-MRXNPFEDSA-N 1 1 378.394 4.073 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1OC ZINC000055927473 823067884 /nfs/dbraw/zinc/06/78/84/823067884.db2.gz QMRYXHLNFRTWHC-UXHICEINSA-N 1 1 386.536 4.022 20 0 GIADMO Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000175895685 823066253 /nfs/dbraw/zinc/06/62/53/823066253.db2.gz QZDUVZUCGGEGDQ-QGZVFWFLSA-N 1 1 399.564 4.274 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1)c1cccs1 ZINC000187454646 823066734 /nfs/dbraw/zinc/06/67/34/823066734.db2.gz ZVOAUDSSAQFSNR-UXHICEINSA-N 1 1 385.508 4.220 20 0 GIADMO C[C@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458630172 823066679 /nfs/dbraw/zinc/06/66/79/823066679.db2.gz KHVGWTIYDIMSNL-RDJZCZTQSA-N 1 1 375.944 4.102 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C2CCCC2)c(C(F)(F)F)c1 ZINC000055927478 823068098 /nfs/dbraw/zinc/06/80/98/823068098.db2.gz XKSVTHDHZAFQQO-SFHVURJKSA-N 1 1 397.441 4.257 20 0 GIADMO C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458632436 823067359 /nfs/dbraw/zinc/06/73/59/823067359.db2.gz NLHAAAKGNMBMBD-MRUHUIDDSA-N 1 1 391.506 4.464 20 0 GIADMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000175908030 823069748 /nfs/dbraw/zinc/06/97/48/823069748.db2.gz HELZGPZNAYRSPO-IBGZPJMESA-N 1 1 399.604 4.303 20 0 GIADMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000175908030 823069753 /nfs/dbraw/zinc/06/97/53/823069753.db2.gz HELZGPZNAYRSPO-IBGZPJMESA-N 1 1 399.604 4.303 20 0 GIADMO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl)CN1CCN(C)CC1 ZINC000120817797 823070404 /nfs/dbraw/zinc/07/04/04/823070404.db2.gz FFBWTEYFPYJGEB-CHWSQXEVSA-N 1 1 378.775 4.181 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120820176 823070973 /nfs/dbraw/zinc/07/09/73/823070973.db2.gz RNRHJKCMUXFDHI-FZKQIMNGSA-N 1 1 394.924 4.201 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120820176 823070979 /nfs/dbraw/zinc/07/09/79/823070979.db2.gz RNRHJKCMUXFDHI-FZKQIMNGSA-N 1 1 394.924 4.201 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458661347 823071201 /nfs/dbraw/zinc/07/12/01/823071201.db2.gz DYAMASVTOYCKRD-TXTKFYIRSA-N 1 1 394.563 4.003 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)cn1 ZINC000175936655 823076826 /nfs/dbraw/zinc/07/68/26/823076826.db2.gz YSOREDOJFJYDCT-OAQYLSRUSA-N 1 1 391.519 4.471 20 0 GIADMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@@H+]2Cc2nnc3n2CCCC3)c1 ZINC000570720379 823075639 /nfs/dbraw/zinc/07/56/39/823075639.db2.gz GHWAAZODJDMGTA-URXFXBBRSA-N 1 1 388.515 4.354 20 0 GIADMO COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2Cc2nnc3n2CCCC3)c1 ZINC000570720379 823075642 /nfs/dbraw/zinc/07/56/42/823075642.db2.gz GHWAAZODJDMGTA-URXFXBBRSA-N 1 1 388.515 4.354 20 0 GIADMO COc1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC(C)C ZINC000187512887 823078474 /nfs/dbraw/zinc/07/84/74/823078474.db2.gz LPSRUAOZBBLCSW-JOCHJYFZSA-N 1 1 383.467 4.234 20 0 GIADMO COc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC(F)F ZINC000187514003 823078757 /nfs/dbraw/zinc/07/87/57/823078757.db2.gz JNQMMSISUSUMBX-LJQANCHMSA-N 1 1 391.393 4.048 20 0 GIADMO COc1cccc(Cc2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)c1 ZINC000570757546 823081907 /nfs/dbraw/zinc/08/19/07/823081907.db2.gz IFLMXMDGCDHENE-HYBUGGRVSA-N 1 1 389.499 4.223 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3C[C@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1 ZINC000458727910 823079150 /nfs/dbraw/zinc/07/91/50/823079150.db2.gz JEBPRFLOHOTFLR-YVWKXTFCSA-N 1 1 395.469 4.079 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000570756143 823081685 /nfs/dbraw/zinc/08/16/85/823081685.db2.gz UKPOQCKEADBZBJ-AVRDEDQJSA-N 1 1 375.520 4.058 20 0 GIADMO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000570756143 823081690 /nfs/dbraw/zinc/08/16/90/823081690.db2.gz UKPOQCKEADBZBJ-AVRDEDQJSA-N 1 1 375.520 4.058 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000570756143 823081696 /nfs/dbraw/zinc/08/16/96/823081696.db2.gz UKPOQCKEADBZBJ-AVRDEDQJSA-N 1 1 375.520 4.058 20 0 GIADMO COc1ccc([C@@H](C)CC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000175948691 823080030 /nfs/dbraw/zinc/08/00/30/823080030.db2.gz BQFNHWUSXUTGMD-KRWDZBQOSA-N 1 1 384.545 4.376 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)c2ccc(F)cc2)cn1 ZINC000187520030 823080094 /nfs/dbraw/zinc/08/00/94/823080094.db2.gz HZQAOWVCHGFHTI-GOSISDBHSA-N 1 1 379.357 4.179 20 0 GIADMO C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1)CN1CCN(C)CC1 ZINC000120874563 823080673 /nfs/dbraw/zinc/08/06/73/823080673.db2.gz VDRZHQQGAGOMFR-SJORKVTESA-N 1 1 375.557 4.088 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c2ccc(F)cc2)cn1 ZINC000187527098 823081806 /nfs/dbraw/zinc/08/18/06/823081806.db2.gz OCHRNZIPGMOOSW-OAQYLSRUSA-N 1 1 381.451 4.084 20 0 GIADMO O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056039377 823080831 /nfs/dbraw/zinc/08/08/31/823080831.db2.gz ZXCFYRVGEUJRKW-UHFFFAOYSA-N 1 1 393.314 4.049 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(SC(F)F)cc1 ZINC000056039899 823081177 /nfs/dbraw/zinc/08/11/77/823081177.db2.gz BRUQGUMUADGMSN-UHFFFAOYSA-N 1 1 392.471 4.128 20 0 GIADMO Fc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc(C(F)(F)F)c1 ZINC000120917964 823086626 /nfs/dbraw/zinc/08/66/26/823086626.db2.gz MMABOYKWPLROAN-UHFFFAOYSA-N 1 1 378.373 4.267 20 0 GIADMO Fc1cc(F)cc(Oc2ccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)cc2)c1 ZINC000570760178 823082504 /nfs/dbraw/zinc/08/25/04/823082504.db2.gz CEGNFGRJSSOHKV-OAQYLSRUSA-N 1 1 375.415 4.139 20 0 GIADMO Fc1cc(F)cc(Oc2ccc(C[N@H+]3CCO[C@]4(CCCOC4)C3)cc2)c1 ZINC000570760178 823082509 /nfs/dbraw/zinc/08/25/09/823082509.db2.gz CEGNFGRJSSOHKV-OAQYLSRUSA-N 1 1 375.415 4.139 20 0 GIADMO Cc1cc(C)c(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1Br ZINC000187543365 823085976 /nfs/dbraw/zinc/08/59/76/823085976.db2.gz XXTAYOXPQGELHB-HNNXBMFYSA-N 1 1 380.286 4.083 20 0 GIADMO O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000570825137 823092172 /nfs/dbraw/zinc/09/21/72/823092172.db2.gz HOJPZFLRVDXDMV-YADHBBJMSA-N 1 1 375.516 4.161 20 0 GIADMO CCOC[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000175989543 823089854 /nfs/dbraw/zinc/08/98/54/823089854.db2.gz PTBBAEGHBTYEBE-LJQANCHMSA-N 1 1 387.568 4.019 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000187582691 823092684 /nfs/dbraw/zinc/09/26/84/823092684.db2.gz GITDUBDSKUTCCA-LADGPHEKSA-N 1 1 396.531 4.250 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000187582691 823092688 /nfs/dbraw/zinc/09/26/88/823092688.db2.gz GITDUBDSKUTCCA-LADGPHEKSA-N 1 1 396.531 4.250 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H](C(=O)NC3CC3)c3ccccc3)cc2)C1 ZINC000056154017 823090553 /nfs/dbraw/zinc/09/05/53/823090553.db2.gz NLDZBBMBYMVDOH-DVECYGJZSA-N 1 1 391.559 4.028 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000120945660 823090918 /nfs/dbraw/zinc/09/09/18/823090918.db2.gz PXJZVSFLEZBIHU-IERDGZPVSA-N 1 1 386.923 4.331 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1nc2cc(C)ccc2n1C ZINC000187574700 823090951 /nfs/dbraw/zinc/09/09/51/823090951.db2.gz DPKNMMYBLYIJGB-UHFFFAOYSA-N 1 1 387.531 4.342 20 0 GIADMO C[C@H]1[C@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000570841392 823094277 /nfs/dbraw/zinc/09/42/77/823094277.db2.gz AFIMTYSTGDPYKM-MAUKXSAKSA-N 1 1 383.458 4.023 20 0 GIADMO C[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc(C(F)(F)F)c1 ZINC000120980616 823096975 /nfs/dbraw/zinc/09/69/75/823096975.db2.gz SZMZEXHVXYKUMQ-SNVBAGLBSA-N 1 1 393.434 4.343 20 0 GIADMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000056184958 823098136 /nfs/dbraw/zinc/09/81/36/823098136.db2.gz VCCNBLWJXLQGKE-HNNXBMFYSA-N 1 1 391.918 4.438 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000120998629 823099825 /nfs/dbraw/zinc/09/98/25/823099825.db2.gz JUKJUUMCNWGUNV-KRWDZBQOSA-N 1 1 396.922 4.486 20 0 GIADMO COc1cc(C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)cc(OC)c1 ZINC000056194407 823100296 /nfs/dbraw/zinc/10/02/96/823100296.db2.gz ACDORVUTTYQVBT-QFIPXVFZSA-N 1 1 376.456 4.173 20 0 GIADMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000570876516 823100614 /nfs/dbraw/zinc/10/06/14/823100614.db2.gz JLVVRMDJZUYIGH-BHYGNILZSA-N 1 1 384.442 4.022 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)ccc1OCc1ccccc1 ZINC000056202222 823102208 /nfs/dbraw/zinc/10/22/08/823102208.db2.gz PCYLRRCFHKZBKU-UZUQRXQVSA-N 1 1 390.483 4.151 20 0 GIADMO Clc1ccccc1-c1ccc(C[NH+]2CCN(Cc3cnccn3)CC2)s1 ZINC000570926480 823108362 /nfs/dbraw/zinc/10/83/62/823108362.db2.gz WWBMTVFSNXGPAT-UHFFFAOYSA-N 1 1 384.936 4.176 20 0 GIADMO CCCCCCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000121018321 823103642 /nfs/dbraw/zinc/10/36/42/823103642.db2.gz GWTOVNLNXOSZRM-HKUYNNGSSA-N 1 1 376.541 4.067 20 0 GIADMO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000570925769 823108392 /nfs/dbraw/zinc/10/83/92/823108392.db2.gz IMQAJYDFYYJLOW-WCQYABFASA-N 1 1 378.822 4.185 20 0 GIADMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000570925769 823108394 /nfs/dbraw/zinc/10/83/94/823108394.db2.gz IMQAJYDFYYJLOW-WCQYABFASA-N 1 1 378.822 4.185 20 0 GIADMO Cc1sc(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C(C)C ZINC000570896245 823104390 /nfs/dbraw/zinc/10/43/90/823104390.db2.gz KHKIIDHJDNUBLJ-IBGZPJMESA-N 1 1 385.577 4.098 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)[C@@H]1O ZINC000570934222 823109474 /nfs/dbraw/zinc/10/94/74/823109474.db2.gz PADHLSONTBFNDU-BSIFCXSSSA-N 1 1 395.528 4.174 20 0 GIADMO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccsc1 ZINC000176062434 823109949 /nfs/dbraw/zinc/10/99/49/823109949.db2.gz DXRLFSUXLLBDDN-FQEVSTJZSA-N 1 1 395.528 4.120 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000187670090 823110057 /nfs/dbraw/zinc/11/00/57/823110057.db2.gz DNZPOMXWIUFXTM-AWEZNQCLSA-N 1 1 396.409 4.259 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cnc(N(C)C)s2)[C@@H](C)C2CC2)c(OC)c1 ZINC000570944399 823110462 /nfs/dbraw/zinc/11/04/62/823110462.db2.gz AOIBKZPHIAVPPZ-AWEZNQCLSA-N 1 1 375.538 4.027 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)oc1-c1ccc(Cl)cc1 ZINC000121058388 823110525 /nfs/dbraw/zinc/11/05/25/823110525.db2.gz ANVZDSCFXTZKDS-INIZCTEOSA-N 1 1 397.910 4.221 20 0 GIADMO Cc1cc(C[NH2+][C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)c(C)o1 ZINC000121080288 823114921 /nfs/dbraw/zinc/11/49/21/823114921.db2.gz FDTKTEFZOHMBGV-JOCHJYFZSA-N 1 1 383.513 4.488 20 0 GIADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000121082150 823115253 /nfs/dbraw/zinc/11/52/53/823115253.db2.gz DMFZMFHDYJSHRY-AUUYWEPGSA-N 1 1 389.952 4.274 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)CC[C@H]21 ZINC000459006796 823115913 /nfs/dbraw/zinc/11/59/13/823115913.db2.gz KWTNHFNPAYMZHY-LZQZEXGQSA-N 1 1 379.907 4.056 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000459014541 823117050 /nfs/dbraw/zinc/11/70/50/823117050.db2.gz KWXBTMHSKCYLSI-TZIWHRDSSA-N 1 1 391.600 4.022 20 0 GIADMO COC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000570999134 823117465 /nfs/dbraw/zinc/11/74/65/823117465.db2.gz JZVSCTCHGKUISS-HNNXBMFYSA-N 1 1 398.434 4.012 20 0 GIADMO CC(C)[C@H](CO)[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccccc1 ZINC000121096888 823117910 /nfs/dbraw/zinc/11/79/10/823117910.db2.gz GQZBWNXEPSTVAP-IBGZPJMESA-N 1 1 385.895 4.409 20 0 GIADMO CC(C)(CO)[C@@H]([NH2+]Cc1nc2cc(Br)ccc2o1)c1ccccc1 ZINC000571010192 823119554 /nfs/dbraw/zinc/11/95/54/823119554.db2.gz WCMXQTPVWCLOMU-SFHVURJKSA-N 1 1 389.293 4.440 20 0 GIADMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000121099408 823118158 /nfs/dbraw/zinc/11/81/58/823118158.db2.gz UJBLDJJGDYYECM-SFHVURJKSA-N 1 1 393.556 4.302 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H](c4ccccc4C)C[C@H]3C)CC2)cs1 ZINC000121100620 823118466 /nfs/dbraw/zinc/11/84/66/823118466.db2.gz GBVMFHMSGJXYGJ-YLJYHZDGSA-N 1 1 397.588 4.377 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](c4ccccc4C)C[C@@H]3C)CC2)cs1 ZINC000121100495 823118516 /nfs/dbraw/zinc/11/85/16/823118516.db2.gz GBVMFHMSGJXYGJ-PXNSSMCTSA-N 1 1 397.588 4.377 20 0 GIADMO C[C@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)CC1CCC1 ZINC000121108605 823119888 /nfs/dbraw/zinc/11/98/88/823119888.db2.gz UVLPRNRHGRHQRK-GOSISDBHSA-N 1 1 393.531 4.190 20 0 GIADMO Cc1cc(C)n(Cc2cccc(-c3noc([C@@]4(F)CC[N@H+](C(C)(C)C)C4)n3)c2)n1 ZINC000571012985 823120115 /nfs/dbraw/zinc/12/01/15/823120115.db2.gz ZDFFGIDKQMFDDG-JOCHJYFZSA-N 1 1 397.498 4.267 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000176101718 823120816 /nfs/dbraw/zinc/12/08/16/823120816.db2.gz SAFDSPUILZJYEN-FXAWDEMLSA-N 1 1 394.563 4.298 20 0 GIADMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(Cl)c1OCCC(C)C ZINC000121113474 823120882 /nfs/dbraw/zinc/12/08/82/823120882.db2.gz PZCKZIRRFFYKAN-QAPCUYQASA-N 1 1 396.959 4.186 20 0 GIADMO NC(=O)c1coc(C[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)c1 ZINC000187728958 823121153 /nfs/dbraw/zinc/12/11/53/823121153.db2.gz MKMXNMKJGQZIPC-HNNXBMFYSA-N 1 1 387.892 4.323 20 0 GIADMO C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187737035 823122302 /nfs/dbraw/zinc/12/23/02/823122302.db2.gz GHEHDDZSIHAYQG-STQMWFEESA-N 1 1 392.956 4.174 20 0 GIADMO C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187737035 823122306 /nfs/dbraw/zinc/12/23/06/823122306.db2.gz GHEHDDZSIHAYQG-STQMWFEESA-N 1 1 392.956 4.174 20 0 GIADMO C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187737035 823122308 /nfs/dbraw/zinc/12/23/08/823122308.db2.gz GHEHDDZSIHAYQG-STQMWFEESA-N 1 1 392.956 4.174 20 0 GIADMO C[N@@H+](CCCn1ccnc1)Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000571033875 823122854 /nfs/dbraw/zinc/12/28/54/823122854.db2.gz CIEVFBHFJGMCJH-UHFFFAOYSA-N 1 1 391.544 4.379 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000459069924 823123654 /nfs/dbraw/zinc/12/36/54/823123654.db2.gz MMQHBASAOFVSMV-MOPGFXCFSA-N 1 1 393.597 4.122 20 0 GIADMO Cc1nc(C[NH2+]C[C@H](O)COc2cccc(C)c2)oc1-c1ccc(Cl)cc1 ZINC000571040224 823124158 /nfs/dbraw/zinc/12/41/58/823124158.db2.gz XMPAQSXGKVQVJR-SFHVURJKSA-N 1 1 386.879 4.141 20 0 GIADMO CC(C)(C)[NH+]1CCC(NC[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000571039771 823124173 /nfs/dbraw/zinc/12/41/73/823124173.db2.gz JTCUZFLLJRBWIR-HSZRJFAPSA-N 1 1 396.575 4.006 20 0 GIADMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cn1c2ccccc2nc1SC(F)F ZINC000176126984 823129847 /nfs/dbraw/zinc/12/98/47/823129847.db2.gz OIDSQTFEJMBXMO-SANMLTNESA-N 1 1 395.500 4.178 20 0 GIADMO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cn1c2ccccc2nc1SC(F)F ZINC000176126984 823129849 /nfs/dbraw/zinc/12/98/49/823129849.db2.gz OIDSQTFEJMBXMO-SANMLTNESA-N 1 1 395.500 4.178 20 0 GIADMO Cc1cc(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cn2cc[nH+]c12 ZINC000571066163 823127219 /nfs/dbraw/zinc/12/72/19/823127219.db2.gz PNGDZLGFVFYISF-UHFFFAOYSA-N 1 1 394.500 4.255 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2cccnc2SC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000176122276 823127624 /nfs/dbraw/zinc/12/76/24/823127624.db2.gz XVCIQBNQNUEJHI-GOEBONIOSA-N 1 1 391.487 4.179 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)CSc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000176122357 823127670 /nfs/dbraw/zinc/12/76/70/823127670.db2.gz NYSCGDLTMUVHRX-WBVHZDCISA-N 1 1 390.499 4.226 20 0 GIADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000571078404 823128830 /nfs/dbraw/zinc/12/88/30/823128830.db2.gz LJPLOMBQUGQLHJ-RDTXWAMCSA-N 1 1 377.579 4.197 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571080243 823129048 /nfs/dbraw/zinc/12/90/48/823129048.db2.gz QANUWPBFRQWYLV-HLIPFELVSA-N 1 1 382.529 4.276 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571080243 823129050 /nfs/dbraw/zinc/12/90/50/823129050.db2.gz QANUWPBFRQWYLV-HLIPFELVSA-N 1 1 382.529 4.276 20 0 GIADMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC(C)(C)C2)C1 ZINC000459123368 823131077 /nfs/dbraw/zinc/13/10/77/823131077.db2.gz VNOQSJKGBXGWJM-MSOLQXFVSA-N 1 1 392.613 4.131 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000187778530 823131405 /nfs/dbraw/zinc/13/14/05/823131405.db2.gz BXHAYSCEDKBAAH-UNMCSNQZSA-N 1 1 377.532 4.134 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(COc3ccc(F)cc3)c1)C2 ZINC000571098397 823132049 /nfs/dbraw/zinc/13/20/49/823132049.db2.gz NYFVLSVVCRKCEF-QGZVFWFLSA-N 1 1 379.435 4.111 20 0 GIADMO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000571099579 823132081 /nfs/dbraw/zinc/13/20/81/823132081.db2.gz NIFJKLXXWRCNMT-NLSFWIRASA-N 1 1 383.580 4.192 20 0 GIADMO C[C@H]1C[C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176137893 823133242 /nfs/dbraw/zinc/13/32/42/823133242.db2.gz HXKVHIKGJLPLLL-LAUBAEHRSA-N 1 1 398.934 4.472 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)C[C@H]1C ZINC000571123380 823135733 /nfs/dbraw/zinc/13/57/33/823135733.db2.gz VDRBDXDHLIDJQT-KFWWJZLASA-N 1 1 387.446 4.353 20 0 GIADMO CCOc1cc(CNC2CC[NH+](C)CC2)ccc1OCCOc1ccc(C)cc1 ZINC000121196422 823136607 /nfs/dbraw/zinc/13/66/07/823136607.db2.gz CYCBOCMOXXSELN-UHFFFAOYSA-N 1 1 398.547 4.035 20 0 GIADMO CSc1ccccc1[C@H](C)NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000571134014 823138778 /nfs/dbraw/zinc/13/87/78/823138778.db2.gz YATAFNPMWCUDAR-INIZCTEOSA-N 1 1 384.549 4.273 20 0 GIADMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)C2=CCCC2)C1 ZINC000459174444 823138120 /nfs/dbraw/zinc/13/81/20/823138120.db2.gz OLTNOSFCBNOOHE-QGZVFWFLSA-N 1 1 390.597 4.051 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000459194708 823141561 /nfs/dbraw/zinc/14/15/61/823141561.db2.gz GAMMSQIXAMIPTP-UGKGYDQZSA-N 1 1 380.536 4.147 20 0 GIADMO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000056393781 823142034 /nfs/dbraw/zinc/14/20/34/823142034.db2.gz FVNAPDYMAQVHHO-MRXNPFEDSA-N 1 1 387.474 4.116 20 0 GIADMO Cc1cccc([C@H](C)NC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)c1 ZINC000459214699 823145881 /nfs/dbraw/zinc/14/58/81/823145881.db2.gz NXNDLOOZQDLCIA-SIKLNZKXSA-N 1 1 380.536 4.147 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3nccnc3C)c(C(F)(F)F)c2)n1 ZINC000187838728 823143813 /nfs/dbraw/zinc/14/38/13/823143813.db2.gz ZQBUVWALNASGBM-OAHLLOKOSA-N 1 1 389.425 4.457 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000056407319 823144972 /nfs/dbraw/zinc/14/49/72/823144972.db2.gz VMPFDRVXPYSVMU-MOPGFXCFSA-N 1 1 398.469 4.098 20 0 GIADMO CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000176185367 823147933 /nfs/dbraw/zinc/14/79/33/823147933.db2.gz PAMLRXULVXXUAV-WBVHZDCISA-N 1 1 391.471 4.028 20 0 GIADMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000571207523 823148701 /nfs/dbraw/zinc/14/87/01/823148701.db2.gz BBEWOZBVWWWYAJ-JTQLQIEISA-N 1 1 388.377 4.048 20 0 GIADMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000571207523 823148704 /nfs/dbraw/zinc/14/87/04/823148704.db2.gz BBEWOZBVWWWYAJ-JTQLQIEISA-N 1 1 388.377 4.048 20 0 GIADMO COc1ccc2[nH]cc(CC(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)c2c1 ZINC000176189818 823148787 /nfs/dbraw/zinc/14/87/87/823148787.db2.gz UWWYSTKVPWMHCY-OAHLLOKOSA-N 1 1 388.471 4.091 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000176191495 823149057 /nfs/dbraw/zinc/14/90/57/823149057.db2.gz ZJFNXHLUHHPUNQ-APWZRJJASA-N 1 1 375.472 4.314 20 0 GIADMO CC(C)c1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n(-c2ccccc2)n1 ZINC000571211658 823149301 /nfs/dbraw/zinc/14/93/01/823149301.db2.gz BJNVLXOSOCKDRB-JLYLLQBASA-N 1 1 381.524 4.133 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCc4[nH]cnc4C2)CCC3)cc1 ZINC000571211741 823149405 /nfs/dbraw/zinc/14/94/05/823149405.db2.gz CYPVHGLSGSPISJ-WMLDXEAASA-N 1 1 380.517 4.066 20 0 GIADMO O=C(CCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000187869293 823149642 /nfs/dbraw/zinc/14/96/42/823149642.db2.gz CDMTUUGIGQJFCM-LJQANCHMSA-N 1 1 386.858 4.300 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)C1 ZINC000459284865 823156235 /nfs/dbraw/zinc/15/62/35/823156235.db2.gz DZMHOKHAKSBPKG-HNNXBMFYSA-N 1 1 381.923 4.133 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000121276118 823152993 /nfs/dbraw/zinc/15/29/93/823152993.db2.gz OLTPOGXJUMAAEA-SFHVURJKSA-N 1 1 399.882 4.070 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000121276118 823152994 /nfs/dbraw/zinc/15/29/94/823152994.db2.gz OLTPOGXJUMAAEA-SFHVURJKSA-N 1 1 399.882 4.070 20 0 GIADMO O=C(N[C@H](c1ccccc1)C1CC1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056453831 823153496 /nfs/dbraw/zinc/15/34/96/823153496.db2.gz ITMVEKJMJINFKJ-JOCHJYFZSA-N 1 1 399.485 4.380 20 0 GIADMO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459264552 823153734 /nfs/dbraw/zinc/15/37/34/823153734.db2.gz NFYNNGMLAUQMMH-INIZCTEOSA-N 1 1 385.474 4.357 20 0 GIADMO COc1ccc2c(c1)[C@H](NCc1ccccc1OCC[NH+](C)C)CCCS2 ZINC000187896825 823154188 /nfs/dbraw/zinc/15/41/88/823154188.db2.gz BKYQEKMZWLYGTJ-HXUWFJFHSA-N 1 1 386.561 4.352 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000571248334 823155352 /nfs/dbraw/zinc/15/53/52/823155352.db2.gz JFXHVWPYONCCME-QGZVFWFLSA-N 1 1 382.508 4.098 20 0 GIADMO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000121293975 823156888 /nfs/dbraw/zinc/15/68/88/823156888.db2.gz KJVRCHAHZIEWRE-LPHOPBHVSA-N 1 1 382.017 4.130 20 0 GIADMO Cc1cccc(O[C@H](C)c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2C2CC2)c1C ZINC000571291644 823161159 /nfs/dbraw/zinc/16/11/59/823161159.db2.gz KCRHXCCDTJYNFR-ILZDJORESA-N 1 1 395.551 4.043 20 0 GIADMO CC(C)N1CCC([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459301286 823158753 /nfs/dbraw/zinc/15/87/53/823158753.db2.gz CMCMVMDRGDMZHD-UHFFFAOYSA-N 1 1 381.568 4.365 20 0 GIADMO CC(C)N1CCC([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459301286 823158757 /nfs/dbraw/zinc/15/87/57/823158757.db2.gz CMCMVMDRGDMZHD-UHFFFAOYSA-N 1 1 381.568 4.365 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@@H+](C)Cc2ccccc2N2CCCC2)CCO1 ZINC000459301237 823158783 /nfs/dbraw/zinc/15/87/83/823158783.db2.gz JIRQLGHEHCKANF-HXUWFJFHSA-N 1 1 379.548 4.144 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C2CC2)cc1 ZINC000056491827 823159198 /nfs/dbraw/zinc/15/91/98/823159198.db2.gz WLQXCDGPSDZTSV-UHFFFAOYSA-N 1 1 392.421 4.152 20 0 GIADMO COc1ccc(CNc2ccc3c(c2)C[N@H+](C)C3)cc1OCc1cccnc1 ZINC000121306476 823159879 /nfs/dbraw/zinc/15/98/79/823159879.db2.gz DILZQUGBMWCIDX-UHFFFAOYSA-N 1 1 375.472 4.227 20 0 GIADMO Cc1nc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)oc1-c1ccc(Cl)cc1 ZINC000571288310 823160225 /nfs/dbraw/zinc/16/02/25/823160225.db2.gz XIQURKTYSIBIHN-OALUTQOASA-N 1 1 389.927 4.022 20 0 GIADMO NC(=O)CC[C@@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459317456 823160338 /nfs/dbraw/zinc/16/03/38/823160338.db2.gz AZWNXIZQHSEFQQ-VPVJOJIASA-N 1 1 378.516 4.256 20 0 GIADMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522163 823161521 /nfs/dbraw/zinc/16/15/21/823161521.db2.gz LDNSQUJOLRTCIU-CQSZACIVSA-N 1 1 396.457 4.480 20 0 GIADMO Cc1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nc2ccccc12 ZINC000571288462 823160700 /nfs/dbraw/zinc/16/07/00/823160700.db2.gz HALANRMMMUYJCF-QGZVFWFLSA-N 1 1 379.426 4.119 20 0 GIADMO Cc1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nc2ccccc12 ZINC000571288462 823160703 /nfs/dbraw/zinc/16/07/03/823160703.db2.gz HALANRMMMUYJCF-QGZVFWFLSA-N 1 1 379.426 4.119 20 0 GIADMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)cc1 ZINC000571301192 823162035 /nfs/dbraw/zinc/16/20/35/823162035.db2.gz ATSQUULUBLPYHK-CTNGQTDRSA-N 1 1 385.552 4.320 20 0 GIADMO C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000187954792 823163308 /nfs/dbraw/zinc/16/33/08/823163308.db2.gz UPKKRJAIGHGQFT-HWPZZCPQSA-N 1 1 379.715 4.068 20 0 GIADMO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc(Br)c1 ZINC000459338040 823164501 /nfs/dbraw/zinc/16/45/01/823164501.db2.gz FBFMDLPMSPENJD-NRFANRHFSA-N 1 1 386.742 4.472 20 0 GIADMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc(Br)c1 ZINC000459338040 823164503 /nfs/dbraw/zinc/16/45/03/823164503.db2.gz FBFMDLPMSPENJD-NRFANRHFSA-N 1 1 386.742 4.472 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(OC(F)F)c(F)c1 ZINC000571327763 823165794 /nfs/dbraw/zinc/16/57/94/823165794.db2.gz FPVZHZMUBFJMKB-SFHVURJKSA-N 1 1 393.453 4.309 20 0 GIADMO C[N@H+]1CCC[C@H]1CCN1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000121339346 823165886 /nfs/dbraw/zinc/16/58/86/823165886.db2.gz MMRKXRDBVOARSD-SFHVURJKSA-N 1 1 396.510 4.312 20 0 GIADMO O=C1C[C@H]([C@H]2CCCC[N@H+]2C/C=C/c2ccc(OCc3ccccc3)cc2)CN1 ZINC000459360471 823171604 /nfs/dbraw/zinc/17/16/04/823171604.db2.gz OHXFXJFONIWUBL-GZRMHDBXSA-N 1 1 390.527 4.269 20 0 GIADMO Cc1cc(F)c(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)c1 ZINC000459347686 823167371 /nfs/dbraw/zinc/16/73/71/823167371.db2.gz GPJXRYABFPYNCJ-MRXNPFEDSA-N 1 1 389.902 4.097 20 0 GIADMO Clc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1Br ZINC000459361630 823171841 /nfs/dbraw/zinc/17/18/41/823171841.db2.gz FVFVODZDIHAZLG-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO Clc1ccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1Br ZINC000459361630 823171843 /nfs/dbraw/zinc/17/18/43/823171843.db2.gz FVFVODZDIHAZLG-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO Cc1nc2ccccc2nc1C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000571353382 823169912 /nfs/dbraw/zinc/16/99/12/823169912.db2.gz YCGNCIKUGJFSBZ-UHFFFAOYSA-N 1 1 380.923 4.300 20 0 GIADMO Cc1nc2ccccc2nc1CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000571353382 823169915 /nfs/dbraw/zinc/16/99/15/823169915.db2.gz YCGNCIKUGJFSBZ-UHFFFAOYSA-N 1 1 380.923 4.300 20 0 GIADMO Cc1nc2ccccc2nc1CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000571353382 823169916 /nfs/dbraw/zinc/16/99/16/823169916.db2.gz YCGNCIKUGJFSBZ-UHFFFAOYSA-N 1 1 380.923 4.300 20 0 GIADMO COc1ccc(-c2nc(CN(C)Cc3[nH+]cc(C)c(OC)c3C)cs2)cc1 ZINC000571366088 823171921 /nfs/dbraw/zinc/17/19/21/823171921.db2.gz VTBOWBOPDRFYAT-UHFFFAOYSA-N 1 1 383.517 4.471 20 0 GIADMO Clc1cnn(CC[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 ZINC000459361150 823171960 /nfs/dbraw/zinc/17/19/60/823171960.db2.gz FUXUCYJCDUVCTF-CQSZACIVSA-N 1 1 392.290 4.120 20 0 GIADMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCc3cccc(Cl)c3)CC2)cs1 ZINC000459357597 823170485 /nfs/dbraw/zinc/17/04/85/823170485.db2.gz PDKYFNRNGYSUCM-INIZCTEOSA-N 1 1 393.984 4.254 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000459357574 823170508 /nfs/dbraw/zinc/17/05/08/823170508.db2.gz OXZLKHNLQKKZKJ-OAHLLOKOSA-N 1 1 383.521 4.222 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000459357574 823170511 /nfs/dbraw/zinc/17/05/11/823170511.db2.gz OXZLKHNLQKKZKJ-OAHLLOKOSA-N 1 1 383.521 4.222 20 0 GIADMO CC(C)[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)N1CCCC1 ZINC000459358013 823170769 /nfs/dbraw/zinc/17/07/69/823170769.db2.gz ASGLQAFLYYUOPE-JOCHJYFZSA-N 1 1 381.568 4.270 20 0 GIADMO Oc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)c1Br ZINC000459362095 823172260 /nfs/dbraw/zinc/17/22/60/823172260.db2.gz GRFLTYWCODNBLM-AWEZNQCLSA-N 1 1 381.339 4.143 20 0 GIADMO O=C1[C@@H]([NH+]2CCC(OC3CCCCC3)CC2)CCN1c1ccc(Cl)cc1 ZINC000571366955 823172279 /nfs/dbraw/zinc/17/22/79/823172279.db2.gz XMVZATNWIBNNGQ-FQEVSTJZSA-N 1 1 376.928 4.259 20 0 GIADMO COc1ccccc1C(C)(C)c1noc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000571370318 823172894 /nfs/dbraw/zinc/17/28/94/823172894.db2.gz SMVWCMRGKKHQSF-SFHVURJKSA-N 1 1 392.503 4.179 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188021190 823173372 /nfs/dbraw/zinc/17/33/72/823173372.db2.gz VDGDOFGYJGMBQS-SJLPKXTDSA-N 1 1 382.470 4.217 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(OC)c1 ZINC000121430488 823183114 /nfs/dbraw/zinc/18/31/14/823183114.db2.gz AHDOOPDKFHGNED-VYDXJSESSA-N 1 1 386.467 4.048 20 0 GIADMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1nc(C)c(-c3ccc(Cl)cc3)o1)CC2 ZINC000121430638 823183259 /nfs/dbraw/zinc/18/32/59/823183259.db2.gz UZRXSAXJDHSZLE-MSOLQXFVSA-N 1 1 390.911 4.055 20 0 GIADMO C[C@H](c1ccc(NC(=O)N[C@@H](C)CCCc2cccnc2)cc1)[NH+]1CCOCC1 ZINC000459400987 823184078 /nfs/dbraw/zinc/18/40/78/823184078.db2.gz CWXYCHGTASOUOL-RBUKOAKNSA-N 1 1 396.535 4.008 20 0 GIADMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000121436031 823184170 /nfs/dbraw/zinc/18/41/70/823184170.db2.gz PJWUSAATSDMRTO-ZFWWWQNUSA-N 1 1 378.394 4.244 20 0 GIADMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000121436031 823184172 /nfs/dbraw/zinc/18/41/72/823184172.db2.gz PJWUSAATSDMRTO-ZFWWWQNUSA-N 1 1 378.394 4.244 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000176331695 823184392 /nfs/dbraw/zinc/18/43/92/823184392.db2.gz AWDSIVAHXLDAIQ-GUYCJALGSA-N 1 1 378.303 4.029 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000188098691 823186125 /nfs/dbraw/zinc/18/61/25/823186125.db2.gz NCMJQOYXMSJBOB-ZQMYSKGWSA-N 1 1 377.532 4.323 20 0 GIADMO CCC1(c2ccccc2)CN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000459422287 823189204 /nfs/dbraw/zinc/18/92/04/823189204.db2.gz ZFHSAAXIQXKAGD-IBGZPJMESA-N 1 1 393.531 4.275 20 0 GIADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000571480429 823189365 /nfs/dbraw/zinc/18/93/65/823189365.db2.gz JMLWDTORWOUOEI-HXUWFJFHSA-N 1 1 393.491 4.015 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)[nH+]1 ZINC000188138349 823191980 /nfs/dbraw/zinc/19/19/80/823191980.db2.gz WIINFXQLMSJTQB-INIZCTEOSA-N 1 1 378.476 4.165 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccco1 ZINC000121480534 823192352 /nfs/dbraw/zinc/19/23/52/823192352.db2.gz TYTMOCZOASMPKW-JKSUJKDBSA-N 1 1 399.516 4.358 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccco1 ZINC000121480534 823192355 /nfs/dbraw/zinc/19/23/55/823192355.db2.gz TYTMOCZOASMPKW-JKSUJKDBSA-N 1 1 399.516 4.358 20 0 GIADMO CCOc1cc(C[NH2+]C2(c3ccccc3F)CC2)cc(Br)c1O ZINC000459444869 823193574 /nfs/dbraw/zinc/19/35/74/823193574.db2.gz MDKLWRAPOONWCN-UHFFFAOYSA-N 1 1 380.257 4.471 20 0 GIADMO COCc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)no1 ZINC000459449265 823194490 /nfs/dbraw/zinc/19/44/90/823194490.db2.gz TYJMRBIKTNTMPT-KXBFYZLASA-N 1 1 397.441 4.013 20 0 GIADMO COCc1cc(C[NH2+][C@@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000459457225 823196283 /nfs/dbraw/zinc/19/62/83/823196283.db2.gz FWOXMMQGIMIKJZ-RTBURBONSA-N 1 1 395.906 4.317 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1)CC(F)(F)F ZINC000176392246 823197308 /nfs/dbraw/zinc/19/73/08/823197308.db2.gz GHEDTIHQSGLMJD-AWEZNQCLSA-N 1 1 398.391 4.334 20 0 GIADMO CCN(C[C@H]1CC[N@H+](Cc2csc(Br)c2)C1)CC(F)(F)F ZINC000176393140 823197636 /nfs/dbraw/zinc/19/76/36/823197636.db2.gz YCHVRKMHZMSXHK-LLVKDONJSA-N 1 1 385.293 4.217 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2csc(Br)c2)C1)CC(F)(F)F ZINC000176393140 823197638 /nfs/dbraw/zinc/19/76/38/823197638.db2.gz YCHVRKMHZMSXHK-LLVKDONJSA-N 1 1 385.293 4.217 20 0 GIADMO CCOCc1ccc(CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000121514459 823197865 /nfs/dbraw/zinc/19/78/65/823197865.db2.gz RQYLZKRIYNSGPP-KRWDZBQOSA-N 1 1 392.503 4.278 20 0 GIADMO O=C(CC[N@@H+]1CCO[C@H](c2ccco2)C1)Nc1ccccc1-c1ccccc1 ZINC000121513599 823197915 /nfs/dbraw/zinc/19/79/15/823197915.db2.gz JKEJYEAYZZYUHV-QFIPXVFZSA-N 1 1 376.456 4.349 20 0 GIADMO O=C(CC[N@H+]1CCO[C@H](c2ccco2)C1)Nc1ccccc1-c1ccccc1 ZINC000121513599 823197918 /nfs/dbraw/zinc/19/79/18/823197918.db2.gz JKEJYEAYZZYUHV-QFIPXVFZSA-N 1 1 376.456 4.349 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nc3ccccc3n2C)c2ccccc2)[C@@H]1SC ZINC000459467501 823198640 /nfs/dbraw/zinc/19/86/40/823198640.db2.gz PXPUNDVPXTUUCL-NRDMVMEKSA-N 1 1 381.545 4.161 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1)CC(F)(F)F ZINC000176405647 823201388 /nfs/dbraw/zinc/20/13/88/823201388.db2.gz CZXJOMLGBMJGEQ-CQSZACIVSA-N 1 1 385.405 4.187 20 0 GIADMO CC(C)Cn1ncnc1C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188189368 823200791 /nfs/dbraw/zinc/20/07/91/823200791.db2.gz LWPMMDXLUWWYFL-KRWDZBQOSA-N 1 1 395.320 4.467 20 0 GIADMO COc1c(C)cnc(CN2CCC([N@@H+](C)C/C=C\c3ccc(F)cc3)CC2)c1C ZINC000571569349 823201728 /nfs/dbraw/zinc/20/17/28/823201728.db2.gz ZLVRUFGIKCYIPU-WAYWQWQTSA-N 1 1 397.538 4.456 20 0 GIADMO CCN(C[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1)CC(F)(F)F ZINC000176406992 823201788 /nfs/dbraw/zinc/20/17/88/823201788.db2.gz UCSSJVCOWINDCU-LSDHHAIUSA-N 1 1 382.430 4.004 20 0 GIADMO Cc1cc(F)c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000459483022 823201892 /nfs/dbraw/zinc/20/18/92/823201892.db2.gz PELRYUUNTLAOMM-KRWDZBQOSA-N 1 1 378.919 4.402 20 0 GIADMO CCN(C[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1)CC(F)(F)F ZINC000176409229 823202305 /nfs/dbraw/zinc/20/23/05/823202305.db2.gz UKVJYOOWTLPSBX-CYBMUJFWSA-N 1 1 390.400 4.138 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1)CC(F)(F)F ZINC000176409229 823202311 /nfs/dbraw/zinc/20/23/11/823202311.db2.gz UKVJYOOWTLPSBX-CYBMUJFWSA-N 1 1 390.400 4.138 20 0 GIADMO Cc1cc(CNC(=O)c2ccc(-c3ccsc3)nc2C)cc(N2CCCC2)[nH+]1 ZINC000571575383 823203085 /nfs/dbraw/zinc/20/30/85/823203085.db2.gz GQYWLSYXAXSJCD-UHFFFAOYSA-N 1 1 392.528 4.352 20 0 GIADMO Brc1cccc(NC2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)c1 ZINC000459506362 823206565 /nfs/dbraw/zinc/20/65/65/823206565.db2.gz QDFPIWZCKLDBQN-UHFFFAOYSA-N 1 1 387.325 4.193 20 0 GIADMO Fc1cnccc1CN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459490877 823203294 /nfs/dbraw/zinc/20/32/94/823203294.db2.gz LMKLSSYAOUOAAN-QHCPKHFHSA-N 1 1 390.506 4.283 20 0 GIADMO Oc1cccc([C@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)CCO2)c1 ZINC000121565393 823206965 /nfs/dbraw/zinc/20/69/65/823206965.db2.gz KMACOPOVDGYVTF-JOCHJYFZSA-N 1 1 385.467 4.280 20 0 GIADMO Oc1cccc([C@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)CCO2)c1 ZINC000121565393 823206968 /nfs/dbraw/zinc/20/69/68/823206968.db2.gz KMACOPOVDGYVTF-JOCHJYFZSA-N 1 1 385.467 4.280 20 0 GIADMO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)C2c3ccccc3-c3ccccc32)c1 ZINC000176434951 823207114 /nfs/dbraw/zinc/20/71/14/823207114.db2.gz SAGGLKUVWKMDDY-UHFFFAOYSA-N 1 1 399.494 4.029 20 0 GIADMO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)C2c3ccccc3-c3ccccc32)c1 ZINC000176434951 823207117 /nfs/dbraw/zinc/20/71/17/823207117.db2.gz SAGGLKUVWKMDDY-UHFFFAOYSA-N 1 1 399.494 4.029 20 0 GIADMO COc1ccc2c(c1)C[N@H+]([C@H]1CCCN(C(C)C)C1=O)[C@H](c1ccccc1)C2 ZINC000571632486 823212237 /nfs/dbraw/zinc/21/22/37/823212237.db2.gz ZNFWCCAZSISOHM-GOTSBHOMSA-N 1 1 378.516 4.194 20 0 GIADMO COc1ccc2c(c1)C[N@@H+]([C@H]1CCCN(C(C)C)C1=O)[C@H](c1ccccc1)C2 ZINC000571632486 823212241 /nfs/dbraw/zinc/21/22/41/823212241.db2.gz ZNFWCCAZSISOHM-GOTSBHOMSA-N 1 1 378.516 4.194 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)cc1F ZINC000459516467 823209341 /nfs/dbraw/zinc/20/93/41/823209341.db2.gz HPLNEIDHCZHXPL-QGZVFWFLSA-N 1 1 382.479 4.025 20 0 GIADMO CCOCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176455741 823211376 /nfs/dbraw/zinc/21/13/76/823211376.db2.gz PGPFVIFFPBUITK-INIZCTEOSA-N 1 1 394.943 4.348 20 0 GIADMO Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000121586005 823211415 /nfs/dbraw/zinc/21/14/15/823211415.db2.gz DJOUWIYUDGTUQR-RBUKOAKNSA-N 1 1 397.567 4.053 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c(C)c1 ZINC000121586884 823211447 /nfs/dbraw/zinc/21/14/47/823211447.db2.gz SGKAUERITUOCAL-NRFANRHFSA-N 1 1 382.504 4.110 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c(C)c1 ZINC000121586884 823211451 /nfs/dbraw/zinc/21/14/51/823211451.db2.gz SGKAUERITUOCAL-NRFANRHFSA-N 1 1 382.504 4.110 20 0 GIADMO CC(C)[C@H](Oc1ccc(Cl)cc1)c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000571650109 823214630 /nfs/dbraw/zinc/21/46/30/823214630.db2.gz JJOGZSVJPOJECJ-FUHIMQAGSA-N 1 1 391.899 4.425 20 0 GIADMO CC(C)[C@H](Oc1ccc(Cl)cc1)c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000571650109 823214634 /nfs/dbraw/zinc/21/46/34/823214634.db2.gz JJOGZSVJPOJECJ-FUHIMQAGSA-N 1 1 391.899 4.425 20 0 GIADMO Oc1cccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1Br ZINC000459539554 823215551 /nfs/dbraw/zinc/21/55/51/823215551.db2.gz WEWBFOXXKDSJRJ-HNNXBMFYSA-N 1 1 390.325 4.067 20 0 GIADMO CC(C)Cc1ncc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)s1 ZINC000571682853 823218193 /nfs/dbraw/zinc/21/81/93/823218193.db2.gz YWEUFKLFDQZNCH-UHFFFAOYSA-N 1 1 382.570 4.054 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC000571666134 823216466 /nfs/dbraw/zinc/21/64/66/823216466.db2.gz RXEAAPZWKOPHOD-HNNXBMFYSA-N 1 1 391.556 4.463 20 0 GIADMO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000121638683 823220620 /nfs/dbraw/zinc/22/06/20/823220620.db2.gz SVGPJWJDLUYMNS-HUUCEWRRSA-N 1 1 395.469 4.425 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccco1 ZINC000409452048 823221980 /nfs/dbraw/zinc/22/19/80/823221980.db2.gz FXUZMMZZEDPIRB-PZJWPPBQSA-N 1 1 398.890 4.472 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnc3onc(C(C)(C)C)c3c2)C1 ZINC000409453926 823222564 /nfs/dbraw/zinc/22/25/64/823222564.db2.gz BRZNHOATPOVSNL-QAPCUYQASA-N 1 1 392.503 4.086 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000459552616 823218789 /nfs/dbraw/zinc/21/87/89/823218789.db2.gz WDGBTBVRMPIOJA-GFCCVEGCSA-N 1 1 393.837 4.135 20 0 GIADMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1 ZINC000459574219 823223595 /nfs/dbraw/zinc/22/35/95/823223595.db2.gz RYTIZLDBOZADOJ-FYYLOGMGSA-N 1 1 394.515 4.002 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1F ZINC000409458759 823223948 /nfs/dbraw/zinc/22/39/48/823223948.db2.gz XCOVHTXKWWAKMI-UHFFFAOYSA-N 1 1 397.498 4.325 20 0 GIADMO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000409460607 823224339 /nfs/dbraw/zinc/22/43/39/823224339.db2.gz UTQQRQNJLQTCRP-QFIPXVFZSA-N 1 1 391.515 4.339 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2Cc3sccc3CC2(C)C)c1 ZINC000459580139 823224519 /nfs/dbraw/zinc/22/45/19/823224519.db2.gz KJVDESPDBWVFMK-UHFFFAOYSA-N 1 1 399.560 4.006 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2Cc3sccc3CC2(C)C)c1 ZINC000459580139 823224525 /nfs/dbraw/zinc/22/45/25/823224525.db2.gz KJVDESPDBWVFMK-UHFFFAOYSA-N 1 1 399.560 4.006 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2ccc(C)cc2C)cc1F ZINC000409460735 823224732 /nfs/dbraw/zinc/22/47/32/823224732.db2.gz VGQIGSFALYIMPX-UHFFFAOYSA-N 1 1 383.492 4.345 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c(Br)c1 ZINC000571721004 823224933 /nfs/dbraw/zinc/22/49/33/823224933.db2.gz BEEHCTKPJPUWPV-MRXNPFEDSA-N 1 1 386.293 4.254 20 0 GIADMO CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000056867044 823225563 /nfs/dbraw/zinc/22/55/63/823225563.db2.gz XEEYGTFFTSPXMY-SFHVURJKSA-N 1 1 375.557 4.297 20 0 GIADMO C[C@@H](NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cc2ccccc2o1 ZINC000188359040 823225586 /nfs/dbraw/zinc/22/55/86/823225586.db2.gz HGGRFOOALZMLLC-FGTMMUONSA-N 1 1 399.535 4.025 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000056868815 823225949 /nfs/dbraw/zinc/22/59/49/823225949.db2.gz IBCINCAEWLATGL-PXNSSMCTSA-N 1 1 393.959 4.078 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000571731918 823226944 /nfs/dbraw/zinc/22/69/44/823226944.db2.gz AOMLAUUXHFIUHF-HBMCJLEFSA-N 1 1 399.560 4.262 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000571731918 823226949 /nfs/dbraw/zinc/22/69/49/823226949.db2.gz AOMLAUUXHFIUHF-HBMCJLEFSA-N 1 1 399.560 4.262 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)cc1 ZINC000176517641 823227155 /nfs/dbraw/zinc/22/71/55/823227155.db2.gz XMKMTSNZQDNGBC-CRAIPNDOSA-N 1 1 387.549 4.048 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1[nH]c2ccc(F)cc2c1Cl ZINC000056885604 823227717 /nfs/dbraw/zinc/22/77/17/823227717.db2.gz ZUZQXRHVUZSZGD-UHFFFAOYSA-N 1 1 385.870 4.139 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)c1cncc(F)c1 ZINC000459618909 823230682 /nfs/dbraw/zinc/23/06/82/823230682.db2.gz GZUJYEXRYMSEDT-LIRRHRJNSA-N 1 1 375.463 4.304 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cs1)c1ccc(C)c(C)c1 ZINC000571755912 823230663 /nfs/dbraw/zinc/23/06/63/823230663.db2.gz JIIXREDTZAJUCT-UXHICEINSA-N 1 1 385.533 4.102 20 0 GIADMO CC[C@H](C)Sc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(C)c1 ZINC000190159123 823544270 /nfs/dbraw/zinc/54/42/70/823544270.db2.gz IFPPIFSDANATKS-IRXDYDNUSA-N 1 1 393.597 4.195 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)c1nc2c(s1)CCC2 ZINC000459627196 823232005 /nfs/dbraw/zinc/23/20/05/823232005.db2.gz BCQKNMNCYSBRRT-WDEREUQCSA-N 1 1 394.338 4.072 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000459630361 823232640 /nfs/dbraw/zinc/23/26/40/823232640.db2.gz GEYYWLJUCYPFQJ-QWRGUYRKSA-N 1 1 383.439 4.328 20 0 GIADMO CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cn1 ZINC000459646141 823237393 /nfs/dbraw/zinc/23/73/93/823237393.db2.gz ICYGSMNQQUTUIK-KRWDZBQOSA-N 1 1 385.474 4.107 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)c1nc2c(s1)CCC2 ZINC000459633962 823233817 /nfs/dbraw/zinc/23/38/17/823233817.db2.gz GYKLARNTIBRYDN-HZPDHXFCSA-N 1 1 383.561 4.110 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000459636856 823234918 /nfs/dbraw/zinc/23/49/18/823234918.db2.gz AYDRWBKZEPHANQ-GOSISDBHSA-N 1 1 379.426 4.053 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000459640683 823235555 /nfs/dbraw/zinc/23/55/55/823235555.db2.gz XGAOTWRAQFRTRD-VXGBXAGGSA-N 1 1 393.940 4.280 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1OC ZINC000459642312 823235952 /nfs/dbraw/zinc/23/59/52/823235952.db2.gz BKWHXUKGYBLQAK-KRWDZBQOSA-N 1 1 387.442 4.193 20 0 GIADMO CC[NH+](CC)[C@@H](c1nc(C(C)(C)NC(=O)c2ccccc2)no1)c1ccccc1 ZINC000571803750 823236538 /nfs/dbraw/zinc/23/65/38/823236538.db2.gz PAIHDBLLRAMTCC-LJQANCHMSA-N 1 1 392.503 4.166 20 0 GIADMO CCN(CC)c1ncc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459645429 823237132 /nfs/dbraw/zinc/23/71/32/823237132.db2.gz GOUQUFXPAWPPSQ-OAHLLOKOSA-N 1 1 391.503 4.170 20 0 GIADMO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000176587145 823242424 /nfs/dbraw/zinc/24/24/24/823242424.db2.gz YOCJRWPZLUQGJS-CABCVRRESA-N 1 1 391.968 4.169 20 0 GIADMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651205 823239369 /nfs/dbraw/zinc/23/93/69/823239369.db2.gz OVIAKXPNSDZFIA-IBGZPJMESA-N 1 1 393.453 4.362 20 0 GIADMO C[C@H]1CCc2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)sc2C1 ZINC000459652881 823239992 /nfs/dbraw/zinc/23/99/92/823239992.db2.gz RALFJKBTLOHVLO-XJKSGUPXSA-N 1 1 388.499 4.449 20 0 GIADMO C[C@H]1CCc2nc(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)sc2C1 ZINC000459652881 823239999 /nfs/dbraw/zinc/23/99/99/823239999.db2.gz RALFJKBTLOHVLO-XJKSGUPXSA-N 1 1 388.499 4.449 20 0 GIADMO Cc1nc2cc(C(=O)N3CCC[N@H+](C(C)C)CC3)ccc2n1Cc1ccsc1 ZINC000409521647 823240492 /nfs/dbraw/zinc/24/04/92/823240492.db2.gz MYMWTOJEQGESFF-UHFFFAOYSA-N 1 1 396.560 4.011 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000571841255 823243417 /nfs/dbraw/zinc/24/34/17/823243417.db2.gz HTSLQNPLDWHEMZ-IBGZPJMESA-N 1 1 385.376 4.411 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459662076 823244273 /nfs/dbraw/zinc/24/42/73/823244273.db2.gz MZQRJHHZHQTGCN-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459662076 823244280 /nfs/dbraw/zinc/24/42/80/823244280.db2.gz MZQRJHHZHQTGCN-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO FC(F)Oc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459664091 823244972 /nfs/dbraw/zinc/24/49/72/823244972.db2.gz PMBOXQMHYXEBTM-OAHLLOKOSA-N 1 1 379.369 4.469 20 0 GIADMO Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000121775550 823247783 /nfs/dbraw/zinc/24/77/83/823247783.db2.gz OCOOBOVIEWHFQK-INIZCTEOSA-N 1 1 392.894 4.152 20 0 GIADMO CC(C)[C@H]1C[C@H](CC(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)CCO1 ZINC000571910538 823252828 /nfs/dbraw/zinc/25/28/28/823252828.db2.gz GKCCMVFKJZGHDY-GDBMZVCRSA-N 1 1 379.570 4.080 20 0 GIADMO CC(C)(CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[NH+]1CCCCC1 ZINC000409575127 823252627 /nfs/dbraw/zinc/25/26/27/823252627.db2.gz IGHAHERJWMMXRS-UHFFFAOYSA-N 1 1 380.458 4.245 20 0 GIADMO Cc1ccc(NC(=O)c2scnc2C2CC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000121788455 823251815 /nfs/dbraw/zinc/25/18/15/823251815.db2.gz LPVHLNJWCZDXCF-UHFFFAOYSA-N 1 1 398.532 4.006 20 0 GIADMO CCOC[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000459700091 823253089 /nfs/dbraw/zinc/25/30/89/823253089.db2.gz DKSDMNYRMAWXAR-MRXNPFEDSA-N 1 1 376.522 4.218 20 0 GIADMO CCOC[C@H]1CCCC[N@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000459700091 823253098 /nfs/dbraw/zinc/25/30/98/823253098.db2.gz DKSDMNYRMAWXAR-MRXNPFEDSA-N 1 1 376.522 4.218 20 0 GIADMO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCC(C)(C)[NH+]1CCCCC1 ZINC000409579658 823253910 /nfs/dbraw/zinc/25/39/10/823253910.db2.gz GZQZBIFTUZYLHR-UHFFFAOYSA-N 1 1 376.495 4.121 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC(F)(F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000409597509 823257758 /nfs/dbraw/zinc/25/77/58/823257758.db2.gz BBLZHWGOAVNTOS-RRQGHBQHSA-N 1 1 385.886 4.210 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC(F)(F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000409597509 823257764 /nfs/dbraw/zinc/25/77/64/823257764.db2.gz BBLZHWGOAVNTOS-RRQGHBQHSA-N 1 1 385.886 4.210 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000121799622 823254011 /nfs/dbraw/zinc/25/40/11/823254011.db2.gz SQPBXEBUOXRDHB-UXHICEINSA-N 1 1 395.503 4.430 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000121799622 823254013 /nfs/dbraw/zinc/25/40/13/823254013.db2.gz SQPBXEBUOXRDHB-UXHICEINSA-N 1 1 395.503 4.430 20 0 GIADMO O=C(c1ccc(-c2ccccc2OC(F)(F)F)o1)N1CC[NH+](CC2CC2)CC1 ZINC000188513691 823254149 /nfs/dbraw/zinc/25/41/49/823254149.db2.gz PRJKLDFKNQMNQP-UHFFFAOYSA-N 1 1 394.393 4.013 20 0 GIADMO C[C@H](CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000409584592 823254747 /nfs/dbraw/zinc/25/47/47/823254747.db2.gz LJDQWDVRMUNLJL-ZIAGYGMSSA-N 1 1 396.478 4.433 20 0 GIADMO C[C@H](CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)[N@H+]1CCc2sccc2C1 ZINC000409584592 823254751 /nfs/dbraw/zinc/25/47/51/823254751.db2.gz LJDQWDVRMUNLJL-ZIAGYGMSSA-N 1 1 396.478 4.433 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)CC2)cs1 ZINC000176642116 823255968 /nfs/dbraw/zinc/25/59/68/823255968.db2.gz PBNBQAUHHAECQL-KKSFZXQISA-N 1 1 383.561 4.068 20 0 GIADMO CN(CC(F)(F)F)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000409594275 823256871 /nfs/dbraw/zinc/25/68/71/823256871.db2.gz LRCWMLYWCLYOKF-MRXNPFEDSA-N 1 1 397.466 4.051 20 0 GIADMO CN(CC(F)(F)F)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000409594275 823256874 /nfs/dbraw/zinc/25/68/74/823256874.db2.gz LRCWMLYWCLYOKF-MRXNPFEDSA-N 1 1 397.466 4.051 20 0 GIADMO FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1 ZINC000459741502 823259057 /nfs/dbraw/zinc/25/90/57/823259057.db2.gz YJGXOGRBOWHNKV-SJORKVTESA-N 1 1 377.410 4.096 20 0 GIADMO CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057175245 823259259 /nfs/dbraw/zinc/25/92/59/823259259.db2.gz VFUWLBFOEIPHMY-JOCHJYFZSA-N 1 1 391.559 4.026 20 0 GIADMO C[C@H](C[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000459786962 823265122 /nfs/dbraw/zinc/26/51/22/823265122.db2.gz BUZYPTOPSPXWPB-GFCCVEGCSA-N 1 1 389.323 4.232 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2)c(C)c1 ZINC000003540499 817480971 /nfs/dbraw/zinc/48/09/71/817480971.db2.gz VKCQEDALGKWXGZ-UHFFFAOYSA-N 1 1 375.310 4.445 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2)c(C)c1 ZINC000003540499 817480976 /nfs/dbraw/zinc/48/09/76/817480976.db2.gz VKCQEDALGKWXGZ-UHFFFAOYSA-N 1 1 375.310 4.445 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409629651 823266814 /nfs/dbraw/zinc/26/68/14/823266814.db2.gz HJTQHGGDHHIITP-PKOBYXMFSA-N 1 1 379.495 4.118 20 0 GIADMO Cc1oc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1C1CC1 ZINC000571994588 823267318 /nfs/dbraw/zinc/26/73/18/823267318.db2.gz HKWKWUHZYCWNNX-DNVCBOLYSA-N 1 1 382.508 4.377 20 0 GIADMO Cc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c(C)c1 ZINC000188593509 823268697 /nfs/dbraw/zinc/26/86/97/823268697.db2.gz VQJNHHULKQLFOQ-QGZVFWFLSA-N 1 1 379.504 4.241 20 0 GIADMO O=C(C[C@H]1C=CCCC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000188603877 823271014 /nfs/dbraw/zinc/27/10/14/823271014.db2.gz QSNKAGZKNUEDKT-INIZCTEOSA-N 1 1 391.353 4.276 20 0 GIADMO c1[nH+]c([C@H]2CCCN(c3nnc(Cc4ccccc4)s3)C2)n2c1CCCC2 ZINC000409644662 823271860 /nfs/dbraw/zinc/27/18/60/823271860.db2.gz KROMVHOGGTZKMH-KRWDZBQOSA-N 1 1 379.533 4.046 20 0 GIADMO Cc1ccc2c(-c3nc(-c4ccc(N5CC[NH+](C)CC5)nc4)no3)csc2c1 ZINC000572042052 823272890 /nfs/dbraw/zinc/27/28/90/823272890.db2.gz FXNGPLTVYACKNM-UHFFFAOYSA-N 1 1 391.500 4.074 20 0 GIADMO Clc1cc(Br)cnc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409665858 823277997 /nfs/dbraw/zinc/27/79/97/823277997.db2.gz BAJKYYDJMFLIPU-GFCCVEGCSA-N 1 1 395.732 4.414 20 0 GIADMO Cc1cc(CN(C)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)no1 ZINC000057286149 823275904 /nfs/dbraw/zinc/27/59/04/823275904.db2.gz CVMRUHFNXOWTDW-UHFFFAOYSA-N 1 1 384.524 4.089 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccccn1 ZINC000057286382 823276318 /nfs/dbraw/zinc/27/63/18/823276318.db2.gz OSRRMBLMOSBDGQ-GOSISDBHSA-N 1 1 380.536 4.407 20 0 GIADMO CC[C@@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cc[nH+]c2C)CCO1 ZINC000460023529 823280103 /nfs/dbraw/zinc/28/01/03/823280103.db2.gz PXQFSWCOWRMNBU-DZGCQCFKSA-N 1 1 381.398 4.343 20 0 GIADMO O=C(c1ccsc1Br)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000460025355 823280573 /nfs/dbraw/zinc/28/05/73/823280573.db2.gz NXRPHJGCNMLZEU-CYBMUJFWSA-N 1 1 377.307 4.135 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N(Cc2ccco2)c2ccccn2)[C@H](C(F)(F)F)C1 ZINC000460004856 823277612 /nfs/dbraw/zinc/27/76/12/823277612.db2.gz JUKDIHXQXAEKIC-HZPDHXFCSA-N 1 1 395.425 4.117 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000460027478 823280796 /nfs/dbraw/zinc/28/07/96/823280796.db2.gz SJLXCRKLKJLLFZ-AAEUAGOBSA-N 1 1 379.382 4.143 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](c2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000572100117 823283060 /nfs/dbraw/zinc/28/30/60/823283060.db2.gz MJNKDUWGEGPMSY-DZGCQCFKSA-N 1 1 378.303 4.055 20 0 GIADMO COc1cc(Cl)c(Cl)cc1C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000176746933 823283723 /nfs/dbraw/zinc/28/37/23/823283723.db2.gz IIQFHMATCPQAKE-UHFFFAOYSA-N 1 1 394.302 4.104 20 0 GIADMO CO[C@@H]1C[C@H]([N@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C12CCC2 ZINC000572109760 823285102 /nfs/dbraw/zinc/28/51/02/823285102.db2.gz NHULBKSUZAPWJY-DLBZAZTESA-N 1 1 395.528 4.453 20 0 GIADMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C12CCC2 ZINC000572109760 823285103 /nfs/dbraw/zinc/28/51/03/823285103.db2.gz NHULBKSUZAPWJY-DLBZAZTESA-N 1 1 395.528 4.453 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)N(C)[C@H](C)c3ccccc3)C2)s1 ZINC000572124694 823286877 /nfs/dbraw/zinc/28/68/77/823286877.db2.gz ASYMGJPCCGXXDV-WOJBJXKFSA-N 1 1 399.604 4.030 20 0 GIADMO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000572129337 823287579 /nfs/dbraw/zinc/28/75/79/823287579.db2.gz BDWIPPBFLNZKFJ-KRWDZBQOSA-N 1 1 386.293 4.273 20 0 GIADMO CSc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000460121298 823288496 /nfs/dbraw/zinc/28/84/96/823288496.db2.gz OCFWHOWPDPUPRG-SFTDATJTSA-N 1 1 395.572 4.072 20 0 GIADMO CCCCN(CC)c1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000121985237 823288789 /nfs/dbraw/zinc/28/87/89/823288789.db2.gz FTMJSIHTLDOVER-UHFFFAOYSA-N 1 1 382.552 4.141 20 0 GIADMO CSc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000188705914 823289271 /nfs/dbraw/zinc/28/92/71/823289271.db2.gz IHXJXLJCZDLACL-HNNXBMFYSA-N 1 1 397.544 4.346 20 0 GIADMO CSc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1 ZINC000188705889 823289296 /nfs/dbraw/zinc/28/92/96/823289296.db2.gz IHXJXLJCZDLACL-OAHLLOKOSA-N 1 1 397.544 4.346 20 0 GIADMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267383 817807541 /nfs/dbraw/zinc/80/75/41/817807541.db2.gz MOAVPLKVRSCDHQ-LBPRGKRZSA-N 1 1 395.286 4.224 20 0 GIADMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000007267383 817807548 /nfs/dbraw/zinc/80/75/48/817807548.db2.gz MOAVPLKVRSCDHQ-LBPRGKRZSA-N 1 1 395.286 4.224 20 0 GIADMO COc1ccc2oc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)c(C)c2c1 ZINC000007406349 817832256 /nfs/dbraw/zinc/83/22/56/817832256.db2.gz FAWXSGKEVPZHTD-SFHVURJKSA-N 1 1 382.460 4.300 20 0 GIADMO O=C(NCc1ccc(Cl)s1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460135736 823292553 /nfs/dbraw/zinc/29/25/53/823292553.db2.gz SMWQLUSCBZSQPN-DLBZAZTESA-N 1 1 389.952 4.065 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(Br)cc1 ZINC000007443406 817843233 /nfs/dbraw/zinc/84/32/33/817843233.db2.gz RLCMOVAAFDXQNZ-UHFFFAOYSA-N 1 1 399.235 4.121 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(Br)cc1 ZINC000007443406 817843241 /nfs/dbraw/zinc/84/32/41/817843241.db2.gz RLCMOVAAFDXQNZ-UHFFFAOYSA-N 1 1 399.235 4.121 20 0 GIADMO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000007453018 817844699 /nfs/dbraw/zinc/84/46/99/817844699.db2.gz IHXYMWCHLSKXIE-UHFFFAOYSA-N 1 1 376.884 4.045 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000007453018 817844704 /nfs/dbraw/zinc/84/47/04/817844704.db2.gz IHXYMWCHLSKXIE-UHFFFAOYSA-N 1 1 376.884 4.045 20 0 GIADMO C[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000460135996 823292839 /nfs/dbraw/zinc/29/28/39/823292839.db2.gz ASHRGBBLYCFENW-OWCLPIDISA-N 1 1 388.458 4.316 20 0 GIADMO C[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000460135996 823292842 /nfs/dbraw/zinc/29/28/42/823292842.db2.gz ASHRGBBLYCFENW-OWCLPIDISA-N 1 1 388.458 4.316 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1ccco1 ZINC000057419549 823293785 /nfs/dbraw/zinc/29/37/85/823293785.db2.gz FCDYLEIKOBQDAB-LBPRGKRZSA-N 1 1 395.937 4.080 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1C(F)(F)F ZINC000122026017 823295314 /nfs/dbraw/zinc/29/53/14/823295314.db2.gz NJJNMBRTJALVTQ-INIZCTEOSA-N 1 1 394.412 4.139 20 0 GIADMO CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1cccs1 ZINC000007614125 817879872 /nfs/dbraw/zinc/87/98/72/817879872.db2.gz QZLFEQVCOFJKIT-CYBMUJFWSA-N 1 1 381.339 4.210 20 0 GIADMO CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1cccs1 ZINC000007614125 817879882 /nfs/dbraw/zinc/87/98/82/817879882.db2.gz QZLFEQVCOFJKIT-CYBMUJFWSA-N 1 1 381.339 4.210 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640788 817885848 /nfs/dbraw/zinc/88/58/48/817885848.db2.gz YISCTADFAXSGNH-NSHDSACASA-N 1 1 381.259 4.181 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007640788 817885853 /nfs/dbraw/zinc/88/58/53/817885853.db2.gz YISCTADFAXSGNH-NSHDSACASA-N 1 1 381.259 4.181 20 0 GIADMO COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000460149707 823297852 /nfs/dbraw/zinc/29/78/52/823297852.db2.gz JQKZSLBVIFJOJO-NHCUHLMSSA-N 1 1 398.572 4.092 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000007661875 817890665 /nfs/dbraw/zinc/89/06/65/817890665.db2.gz YREZGEHHPUVKFM-UHFFFAOYSA-N 1 1 378.394 4.317 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000007661875 817890670 /nfs/dbraw/zinc/89/06/70/817890670.db2.gz YREZGEHHPUVKFM-UHFFFAOYSA-N 1 1 378.394 4.317 20 0 GIADMO CCOc1ccc(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)cc1OCC ZINC000007704447 817898565 /nfs/dbraw/zinc/89/85/65/817898565.db2.gz XYKRINZWPDNNSW-UHFFFAOYSA-N 1 1 376.884 4.208 20 0 GIADMO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)cc1OCC ZINC000007704447 817898571 /nfs/dbraw/zinc/89/85/71/817898571.db2.gz XYKRINZWPDNNSW-UHFFFAOYSA-N 1 1 376.884 4.208 20 0 GIADMO COc1ccccc1C[C@H](C)CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000409758568 823300430 /nfs/dbraw/zinc/30/04/30/823300430.db2.gz PFGWKODUMWXXGM-SFHVURJKSA-N 1 1 398.572 4.451 20 0 GIADMO CCOc1cc(F)ccc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000409769046 823303167 /nfs/dbraw/zinc/30/31/67/823303167.db2.gz IEGQEMFMIMCBLI-UHFFFAOYSA-N 1 1 386.402 4.179 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000572212062 823301478 /nfs/dbraw/zinc/30/14/78/823301478.db2.gz RNCDLAFNDCSCNY-MFKMUULPSA-N 1 1 385.257 4.052 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000572212062 823301482 /nfs/dbraw/zinc/30/14/82/823301482.db2.gz RNCDLAFNDCSCNY-MFKMUULPSA-N 1 1 385.257 4.052 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCCc2occc2C1 ZINC000460160315 823301913 /nfs/dbraw/zinc/30/19/13/823301913.db2.gz DIOHMKWHPUSNFA-SFHVURJKSA-N 1 1 381.520 4.312 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(Cl)c(F)c3)c2)CCO1 ZINC000409777144 823304880 /nfs/dbraw/zinc/30/48/80/823304880.db2.gz YEHCZWKACBUYJW-AWEZNQCLSA-N 1 1 391.874 4.022 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(Cl)c(F)c3)c2)CCO1 ZINC000409777144 823304887 /nfs/dbraw/zinc/30/48/87/823304887.db2.gz YEHCZWKACBUYJW-AWEZNQCLSA-N 1 1 391.874 4.022 20 0 GIADMO Cc1ccccc1OCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000008170307 818011029 /nfs/dbraw/zinc/01/10/29/818011029.db2.gz GTKNTNDERRPNGA-UHFFFAOYSA-N 1 1 391.309 4.015 20 0 GIADMO Cc1ccccc1OCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000008170307 818011036 /nfs/dbraw/zinc/01/10/36/818011036.db2.gz GTKNTNDERRPNGA-UHFFFAOYSA-N 1 1 391.309 4.015 20 0 GIADMO CC(C)OCc1c2ccccc2oc1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057544185 823308664 /nfs/dbraw/zinc/30/86/64/823308664.db2.gz ZOJVVAAFINHLHG-HDICACEKSA-N 1 1 386.536 4.456 20 0 GIADMO 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ZINC000016874266 818485742 /nfs/dbraw/zinc/48/57/42/818485742.db2.gz WPTLOVQWYHQWGD-MRXNPFEDSA-N 1 1 388.851 4.060 20 0 GIADMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cn2c3ccc(Cl)cc3oc2=O)c1 ZINC000016874266 818485746 /nfs/dbraw/zinc/48/57/46/818485746.db2.gz WPTLOVQWYHQWGD-MRXNPFEDSA-N 1 1 388.851 4.060 20 0 GIADMO CCc1ccc(-c2nn(Cc3ccccc3)cc2CNC2CC[NH+](C)CC2)cc1 ZINC000017314064 818508483 /nfs/dbraw/zinc/50/84/83/818508483.db2.gz JHKKYHLKGPZLNG-UHFFFAOYSA-N 1 1 388.559 4.345 20 0 GIADMO C[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000017313951 818508756 /nfs/dbraw/zinc/50/87/56/818508756.db2.gz OUQXOKNGNHCWJS-UHFFFAOYSA-N 1 1 380.923 4.377 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)C2)cc1 ZINC000572451335 823341860 /nfs/dbraw/zinc/34/18/60/823341860.db2.gz OFMXQOVUBPTNEC-CRAIPNDOSA-N 1 1 387.549 4.050 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)[C@H](C)C1 ZINC000122357225 823343392 /nfs/dbraw/zinc/34/33/92/823343392.db2.gz YFXQHAYIRKLNEL-QAPCUYQASA-N 1 1 396.959 4.186 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176990829 823344133 /nfs/dbraw/zinc/34/41/33/823344133.db2.gz YFDKAHGDXOBURX-NQIIRXRSSA-N 1 1 389.503 4.047 20 0 GIADMO COCCCn1nccc1C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000572464594 823345005 /nfs/dbraw/zinc/34/50/05/823345005.db2.gz PDLYMSOBGMAIKJ-UHFFFAOYSA-N 1 1 376.504 4.146 20 0 GIADMO COCCCn1nccc1C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000572464594 823345013 /nfs/dbraw/zinc/34/50/13/823345013.db2.gz PDLYMSOBGMAIKJ-UHFFFAOYSA-N 1 1 376.504 4.146 20 0 GIADMO O=C(CCn1cnc2ccccc21)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000572469673 823345873 /nfs/dbraw/zinc/34/58/73/823345873.db2.gz YTYJOYLGOJQUPA-UHFFFAOYSA-N 1 1 397.482 4.023 20 0 GIADMO Cc1sc2nc([C@H](C)[N@H+]3CC=C(c4ccc(O)cc4)CC3)nc(N)c2c1C ZINC000122376634 823345973 /nfs/dbraw/zinc/34/59/73/823345973.db2.gz HARHFTHEDLRTQH-ZDUSSCGKSA-N 1 1 380.517 4.446 20 0 GIADMO Cc1sc2nc([C@H](C)[N@@H+]3CC=C(c4ccc(O)cc4)CC3)nc(N)c2c1C ZINC000122376634 823345979 /nfs/dbraw/zinc/34/59/79/823345979.db2.gz HARHFTHEDLRTQH-ZDUSSCGKSA-N 1 1 380.517 4.446 20 0 GIADMO C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000018708325 818575821 /nfs/dbraw/zinc/57/58/21/818575821.db2.gz IUNNIWZYGZFPLH-GFCCVEGCSA-N 1 1 380.822 4.327 20 0 GIADMO C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000018708325 818575827 /nfs/dbraw/zinc/57/58/27/818575827.db2.gz IUNNIWZYGZFPLH-GFCCVEGCSA-N 1 1 380.822 4.327 20 0 GIADMO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000019540213 818593950 /nfs/dbraw/zinc/59/39/50/818593950.db2.gz DFUVGYCFLDURMX-QGZVFWFLSA-N 1 1 379.529 4.046 20 0 GIADMO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000020955981 818642262 /nfs/dbraw/zinc/64/22/62/818642262.db2.gz XSPFYZWXORUCEF-GOSISDBHSA-N 1 1 390.430 4.462 20 0 GIADMO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000020955981 818642268 /nfs/dbraw/zinc/64/22/68/818642268.db2.gz XSPFYZWXORUCEF-GOSISDBHSA-N 1 1 390.430 4.462 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000020947425 818642594 /nfs/dbraw/zinc/64/25/94/818642594.db2.gz VRGPCINRRUQZHQ-KRWDZBQOSA-N 1 1 376.403 4.072 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000020947425 818642599 /nfs/dbraw/zinc/64/25/99/818642599.db2.gz VRGPCINRRUQZHQ-KRWDZBQOSA-N 1 1 376.403 4.072 20 0 GIADMO CCCc1noc2nc(CC)cc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC000409959895 823354189 /nfs/dbraw/zinc/35/41/89/823354189.db2.gz MPIUTDXLLKRDIH-CVEARBPZSA-N 1 1 398.551 4.121 20 0 GIADMO Cc1cc(N2CCC(NC(=O)Nc3ccccc3OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000177036830 823356048 /nfs/dbraw/zinc/35/60/48/823356048.db2.gz DYCHRJOFTBPLEL-UHFFFAOYSA-N 1 1 397.523 4.061 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000058087568 823361105 /nfs/dbraw/zinc/36/11/05/823361105.db2.gz SYFLDNLQHAHPJS-UHFFFAOYSA-N 1 1 393.531 4.400 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 ZINC000572540224 823357425 /nfs/dbraw/zinc/35/74/25/823357425.db2.gz USFZICOHYRISKP-UHFFFAOYSA-N 1 1 391.437 4.085 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000021671528 818723094 /nfs/dbraw/zinc/72/30/94/818723094.db2.gz HDNHZDJNRYVSRE-AWEZNQCLSA-N 1 1 391.309 4.225 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000021671528 818723103 /nfs/dbraw/zinc/72/31/03/818723103.db2.gz HDNHZDJNRYVSRE-AWEZNQCLSA-N 1 1 391.309 4.225 20 0 GIADMO CC(C)(CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccs1 ZINC000460340087 823358222 /nfs/dbraw/zinc/35/82/22/823358222.db2.gz GQSANJZRMMWYRJ-VQTJNVASSA-N 1 1 397.588 4.189 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 ZINC000058071817 823359380 /nfs/dbraw/zinc/35/93/80/823359380.db2.gz IMXWMBZUNLWPSX-UHFFFAOYSA-N 1 1 392.499 4.216 20 0 GIADMO Cc1csc(C2([NH2+][C@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)CCC2)n1 ZINC000460346564 823359915 /nfs/dbraw/zinc/35/99/15/823359915.db2.gz KPSMTNIUOGOQDX-GFCCVEGCSA-N 1 1 383.439 4.466 20 0 GIADMO Cc1cc(CNC(=O)NC(C)(C)c2ccc(Cl)cc2)cc(N2CCCC2)[nH+]1 ZINC000460349492 823360875 /nfs/dbraw/zinc/36/08/75/823360875.db2.gz HKRIYDCYRHEYOE-UHFFFAOYSA-N 1 1 386.927 4.378 20 0 GIADMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014889 818763697 /nfs/dbraw/zinc/76/36/97/818763697.db2.gz YWEWEQKQQWHTNN-LSDHHAIUSA-N 1 1 382.489 4.210 20 0 GIADMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014889 818763701 /nfs/dbraw/zinc/76/37/01/818763701.db2.gz YWEWEQKQQWHTNN-LSDHHAIUSA-N 1 1 382.489 4.210 20 0 GIADMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(OC)c(O)c1Br ZINC000572564114 823362130 /nfs/dbraw/zinc/36/21/30/823362130.db2.gz YQKXNTSTHDABNF-UHFFFAOYSA-N 1 1 379.298 4.013 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000460353692 823362204 /nfs/dbraw/zinc/36/22/04/823362204.db2.gz ZZOWDVKFGGNYPJ-UGSOOPFHSA-N 1 1 388.309 4.174 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000460353692 823362209 /nfs/dbraw/zinc/36/22/09/823362209.db2.gz ZZOWDVKFGGNYPJ-UGSOOPFHSA-N 1 1 388.309 4.174 20 0 GIADMO Cc1nc(-c2ccccc2)sc1C(=O)N=c1[nH]c(C[NH+]2CCCCC2)cs1 ZINC000022289995 818790132 /nfs/dbraw/zinc/79/01/32/818790132.db2.gz SEOKISOJEBOZAF-UHFFFAOYSA-N 1 1 398.557 4.235 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccco1 ZINC000022381306 818799348 /nfs/dbraw/zinc/79/93/48/818799348.db2.gz UGWFANBUTVNZBI-IBGZPJMESA-N 1 1 398.890 4.398 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000460367117 823365234 /nfs/dbraw/zinc/36/52/34/823365234.db2.gz UZCIDYLLZCFJCO-DYVFJYSZSA-N 1 1 379.382 4.002 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000460367117 823365240 /nfs/dbraw/zinc/36/52/40/823365240.db2.gz UZCIDYLLZCFJCO-DYVFJYSZSA-N 1 1 379.382 4.002 20 0 GIADMO CCN(C(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1)c1nc2ccccc2s1 ZINC000460366550 823365277 /nfs/dbraw/zinc/36/52/77/823365277.db2.gz YUDPQNIUORNNAF-QAPCUYQASA-N 1 1 380.517 4.127 20 0 GIADMO CCN(C(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1)c1nc2ccccc2s1 ZINC000460366550 823365281 /nfs/dbraw/zinc/36/52/81/823365281.db2.gz YUDPQNIUORNNAF-QAPCUYQASA-N 1 1 380.517 4.127 20 0 GIADMO C[NH+]1CCN([C@@H](C/N=C/c2c(O)ccc3ccccc32)c2cccs2)CC1 ZINC000022593426 818831339 /nfs/dbraw/zinc/83/13/39/818831339.db2.gz UPLNZRVCADSJTK-VRMLFSPKSA-N 1 1 379.529 4.015 20 0 GIADMO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000189160200 823367919 /nfs/dbraw/zinc/36/79/19/823367919.db2.gz CBSMILVHJLJDRE-INIZCTEOSA-N 1 1 390.833 4.188 20 0 GIADMO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000189160224 823367934 /nfs/dbraw/zinc/36/79/34/823367934.db2.gz CBSMILVHJLJDRE-MRXNPFEDSA-N 1 1 390.833 4.188 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](CCCO)c2ccccc2)cc1 ZINC000122534415 823368535 /nfs/dbraw/zinc/36/85/35/823368535.db2.gz NTXFJYRSEMFTHZ-JTSKRJEESA-N 1 1 392.503 4.055 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022771838 818858941 /nfs/dbraw/zinc/85/89/41/818858941.db2.gz XUSWSPLTEHSNBR-FQEVSTJZSA-N 1 1 379.548 4.263 20 0 GIADMO Cc1cccc(C[NH+]2CCN([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000022773820 818859520 /nfs/dbraw/zinc/85/95/20/818859520.db2.gz JQKMVWSGOQOONC-OAQYLSRUSA-N 1 1 379.548 4.065 20 0 GIADMO Cc1ccc(C)c(NC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000022844673 818866507 /nfs/dbraw/zinc/86/65/07/818866507.db2.gz IRZNUIZXCSHRGB-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO Cc1ccc(C)c(NC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000022844673 818866514 /nfs/dbraw/zinc/86/65/14/818866514.db2.gz IRZNUIZXCSHRGB-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000022918761 818876379 /nfs/dbraw/zinc/87/63/79/818876379.db2.gz SASWVHPNMIPQFU-UHFFFAOYSA-N 1 1 382.895 4.016 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)C1 ZINC000177095020 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C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000410134554 823398698 /nfs/dbraw/zinc/39/86/98/823398698.db2.gz IWXVOCUDRQYQEF-MRXNPFEDSA-N 1 1 391.437 4.294 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1Cl ZINC000189347571 823398765 /nfs/dbraw/zinc/39/87/65/823398765.db2.gz DSDKOCYZEGBPFI-OAHLLOKOSA-N 1 1 378.925 4.073 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1Cl ZINC000189347571 823398772 /nfs/dbraw/zinc/39/87/72/823398772.db2.gz DSDKOCYZEGBPFI-OAHLLOKOSA-N 1 1 378.925 4.073 20 0 GIADMO C[C@H](C(=O)N(Cc1ccc(F)cc1)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000460459853 823397036 /nfs/dbraw/zinc/39/70/36/823397036.db2.gz LKEXOQYQDVCKIC-OAHLLOKOSA-N 1 1 382.401 4.237 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000058474796 823397093 /nfs/dbraw/zinc/39/70/93/823397093.db2.gz OSYWYVMHSADDRH-UHFFFAOYSA-N 1 1 386.902 4.388 20 0 GIADMO Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000058522714 823403578 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377.410 4.005 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000460476556 823402181 /nfs/dbraw/zinc/40/21/81/823402181.db2.gz CATFUOAPOOSJHW-NYVOZVTQSA-N 1 1 395.522 4.359 20 0 GIADMO CC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000058519852 823403252 /nfs/dbraw/zinc/40/32/52/823403252.db2.gz NVJJDOYRUGUNBQ-QGZVFWFLSA-N 1 1 379.504 4.443 20 0 GIADMO FC(F)Oc1cc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)ccn1 ZINC000410168280 823408715 /nfs/dbraw/zinc/40/87/15/823408715.db2.gz ZGZHVGVBXOBYIE-MRXNPFEDSA-N 1 1 386.402 4.113 20 0 GIADMO CN(C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000572840097 823408177 /nfs/dbraw/zinc/40/81/77/823408177.db2.gz NQLJOBHVRFCRHB-FUNVUKJBSA-N 1 1 391.821 4.328 20 0 GIADMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1OC1CCCC1 ZINC000410177624 823411653 /nfs/dbraw/zinc/41/16/53/823411653.db2.gz ZGAAKPZWDPEJHO-NRFANRHFSA-N 1 1 394.515 4.146 20 0 GIADMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1OC1CCCC1 ZINC000410177624 823411657 /nfs/dbraw/zinc/41/16/57/823411657.db2.gz ZGAAKPZWDPEJHO-NRFANRHFSA-N 1 1 394.515 4.146 20 0 GIADMO Cc1ccc(OCCC[N@H+](C)C2CCN(CCc3ccccn3)CC2)cc1C ZINC000177257510 823411645 /nfs/dbraw/zinc/41/16/45/823411645.db2.gz GKCPNWSDVUQCJE-UHFFFAOYSA-N 1 1 381.564 4.106 20 0 GIADMO COCC[N@@H+](Cc1ccco1)Cc1cc(Br)cc2cccnc21 ZINC000177251786 823409885 /nfs/dbraw/zinc/40/98/85/823409885.db2.gz RLDQJQHAOJCTDN-UHFFFAOYSA-N 1 1 375.266 4.239 20 0 GIADMO O=C(NCc1cc(F)cc(F)c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000410170908 823409932 /nfs/dbraw/zinc/40/99/32/823409932.db2.gz HFNYWLKNGHVFQV-UHFFFAOYSA-N 1 1 393.865 4.036 20 0 GIADMO O=C(NCc1cc(F)cc(F)c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000410170908 823409935 /nfs/dbraw/zinc/40/99/35/823409935.db2.gz HFNYWLKNGHVFQV-UHFFFAOYSA-N 1 1 393.865 4.036 20 0 GIADMO CC(C)COC1CC[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000122806286 823415841 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ZINC000025377000 819972519 /nfs/dbraw/zinc/97/25/19/819972519.db2.gz YKMOGPQITVXZCR-LJQANCHMSA-N 1 1 395.547 4.001 20 0 GIADMO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000025377000 819972525 /nfs/dbraw/zinc/97/25/25/819972525.db2.gz YKMOGPQITVXZCR-LJQANCHMSA-N 1 1 395.547 4.001 20 0 GIADMO CN(C(=O)C[N@@H+]1CCc2ccccc2C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000025409736 819976495 /nfs/dbraw/zinc/97/64/95/819976495.db2.gz UYWZRFCCQSMKDQ-VWLOTQADSA-N 1 1 388.486 4.432 20 0 GIADMO CN(C(=O)C[N@H+]1CCc2ccccc2C1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000025409736 819976500 /nfs/dbraw/zinc/97/65/00/819976500.db2.gz UYWZRFCCQSMKDQ-VWLOTQADSA-N 1 1 388.486 4.432 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000025409876 819977011 /nfs/dbraw/zinc/97/70/11/819977011.db2.gz KDIXBOFUORODAI-GJZGRUSLSA-N 1 1 387.321 4.073 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000025409876 819977016 /nfs/dbraw/zinc/97/70/16/819977016.db2.gz KDIXBOFUORODAI-GJZGRUSLSA-N 1 1 387.321 4.073 20 0 GIADMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000573068962 823443226 /nfs/dbraw/zinc/44/32/26/823443226.db2.gz PKLZWCBPEXIESI-BXUZGUMPSA-N 1 1 382.348 4.252 20 0 GIADMO CC(C)(CNC(=O)C1(c2ccc(Cl)cc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000025459738 819985281 /nfs/dbraw/zinc/98/52/81/819985281.db2.gz GPVOCCIBHACOQN-UHFFFAOYSA-N 1 1 382.935 4.325 20 0 GIADMO Oc1cc2c(cc1C[N@@H+](Cc1cccc(Br)c1)C1CC1)OCO2 ZINC000025479581 819989181 /nfs/dbraw/zinc/98/91/81/819989181.db2.gz OXCINNKNKBVMCQ-UHFFFAOYSA-N 1 1 376.250 4.048 20 0 GIADMO CC(C)Cn1ncc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C(F)F ZINC000122984285 823443921 /nfs/dbraw/zinc/44/39/21/823443921.db2.gz UULMMDMPRODTFS-MRXNPFEDSA-N 1 1 394.466 4.027 20 0 GIADMO CC(C)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000177357094 823444249 /nfs/dbraw/zinc/44/42/49/823444249.db2.gz KYGOYRCYBZVLOJ-ZCNNSNEGSA-N 1 1 379.589 4.017 20 0 GIADMO Cc1nc(COC(C)(C)C)oc1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000573094360 823446607 /nfs/dbraw/zinc/44/66/07/823446607.db2.gz OGOMCVNTPXBICQ-LJQANCHMSA-N 1 1 399.535 4.035 20 0 GIADMO Cc1ccc2c(CC(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)coc2c1C ZINC000025630315 820008718 /nfs/dbraw/zinc/00/87/18/820008718.db2.gz FKZWMHRYVFIINL-KRWDZBQOSA-N 1 1 376.500 4.155 20 0 GIADMO C[C@@H](CNC(=O)c1cc(Cl)nc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000025634793 820008936 /nfs/dbraw/zinc/00/89/36/820008936.db2.gz UOUPAGGEHDQALY-HNNXBMFYSA-N 1 1 379.891 4.065 20 0 GIADMO C[C@@H](CNC(=O)CCCc1c[nH]c2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000025633280 820009440 /nfs/dbraw/zinc/00/94/40/820009440.db2.gz SSNBQYCYDHSTPD-SFHVURJKSA-N 1 1 375.516 4.054 20 0 GIADMO Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000025638032 820009658 /nfs/dbraw/zinc/00/96/58/820009658.db2.gz OGQLVUJHFVVCAR-GOSISDBHSA-N 1 1 385.511 4.234 20 0 GIADMO CC(C)[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccccc1 ZINC000025820573 820028900 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4.412 20 0 GIADMO O=C(NCc1ccc2c(c1)CCCN2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000573119445 823449854 /nfs/dbraw/zinc/44/98/54/823449854.db2.gz WEPRFIVGDXBVBR-HXUWFJFHSA-N 1 1 392.547 4.168 20 0 GIADMO COc1ccc([C@@H](C)N(C)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000026164522 820065363 /nfs/dbraw/zinc/06/53/63/820065363.db2.gz WCOABGLBUVLKQS-GOSISDBHSA-N 1 1 395.547 4.235 20 0 GIADMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2Br)cc1 ZINC000026188315 820068068 /nfs/dbraw/zinc/06/80/68/820068068.db2.gz DJNCCRUZYQEELH-CQSZACIVSA-N 1 1 391.309 4.307 20 0 GIADMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2Br)cc1 ZINC000026188315 820068078 /nfs/dbraw/zinc/06/80/78/820068078.db2.gz DJNCCRUZYQEELH-CQSZACIVSA-N 1 1 391.309 4.307 20 0 GIADMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000026208173 820069301 /nfs/dbraw/zinc/06/93/01/820069301.db2.gz GGYQZMBKICNMOO-LBPRGKRZSA-N 1 1 395.286 4.239 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000026208173 820069310 /nfs/dbraw/zinc/06/93/10/820069310.db2.gz GGYQZMBKICNMOO-LBPRGKRZSA-N 1 1 395.286 4.239 20 0 GIADMO Cc1nn(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 ZINC000026235023 820072299 /nfs/dbraw/zinc/07/22/99/820072299.db2.gz ZUSILIMYQDPJHI-NRFANRHFSA-N 1 1 378.545 4.435 20 0 GIADMO Cc1nn(C[N@H+]2CCC[C@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 ZINC000026235023 820072309 /nfs/dbraw/zinc/07/23/09/820072309.db2.gz ZUSILIMYQDPJHI-NRFANRHFSA-N 1 1 378.545 4.435 20 0 GIADMO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000026348077 820086991 /nfs/dbraw/zinc/08/69/91/820086991.db2.gz IASCAYJUTSGRIH-NEPJUHHUSA-N 1 1 394.302 4.031 20 0 GIADMO Cc1ccc(-c2nc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cs2)cc1 ZINC000026356880 820088390 /nfs/dbraw/zinc/08/83/90/820088390.db2.gz LWOVYBRBCRJERW-UHFFFAOYSA-N 1 1 391.540 4.467 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000026364946 820090261 /nfs/dbraw/zinc/09/02/61/820090261.db2.gz XUEPWFRYIJGCJS-GJZGRUSLSA-N 1 1 385.895 4.145 20 0 GIADMO C[NH+](C)CCCOc1cnccc1CNCc1ccc(-c2ccccc2)s1 ZINC000573132448 823451926 /nfs/dbraw/zinc/45/19/26/823451926.db2.gz YILFRLVKLYRGSP-UHFFFAOYSA-N 1 1 381.545 4.430 20 0 GIADMO COc1ccc2c(C[N@H+]3CCC[C@H]3CC(=O)c3cccs3)cc(=O)oc2c1 ZINC000177391516 823452294 /nfs/dbraw/zinc/45/22/94/823452294.db2.gz NOXHDWBRMXCARE-HNNXBMFYSA-N 1 1 383.469 4.101 20 0 GIADMO COCC[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCCC1 ZINC000026447159 820097848 /nfs/dbraw/zinc/09/78/48/820097848.db2.gz WPJPCBPHKOVNMB-UHFFFAOYSA-N 1 1 379.715 4.476 20 0 GIADMO C[C@@H](NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1)c1cccs1 ZINC000026446512 820097904 /nfs/dbraw/zinc/09/79/04/820097904.db2.gz TXPUKPUPHZEQSR-CYBMUJFWSA-N 1 1 393.350 4.352 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1)c1cccs1 ZINC000026446512 820097913 /nfs/dbraw/zinc/09/79/13/820097913.db2.gz TXPUKPUPHZEQSR-CYBMUJFWSA-N 1 1 393.350 4.352 20 0 GIADMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000026473440 820101411 /nfs/dbraw/zinc/10/14/11/820101411.db2.gz ZBGOMSBBGPANLH-AWEZNQCLSA-N 1 1 378.419 4.146 20 0 GIADMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000026473440 820101415 /nfs/dbraw/zinc/10/14/15/820101415.db2.gz ZBGOMSBBGPANLH-AWEZNQCLSA-N 1 1 378.419 4.146 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCc1ccc(OC(F)(F)F)cc1 ZINC000026484539 820103967 /nfs/dbraw/zinc/10/39/67/820103967.db2.gz DKXRSSXEHAYCKH-HNNXBMFYSA-N 1 1 384.423 4.100 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@@H](c4ccccc4F)C3)cc2)C[C@@H](C)O1 ZINC000410296572 823454107 /nfs/dbraw/zinc/45/41/07/823454107.db2.gz MNIQKPGOPFUWNG-DBXWQHBBSA-N 1 1 396.506 4.065 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@H](c4ccccc4F)C3)cc2)C[C@H](C)O1 ZINC000410296576 823454459 /nfs/dbraw/zinc/45/44/59/823454459.db2.gz MNIQKPGOPFUWNG-UEXGIBASSA-N 1 1 396.506 4.065 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@H](c4ccccc4F)C3)cc2)C[C@H](C)O1 ZINC000410296576 823454464 /nfs/dbraw/zinc/45/44/64/823454464.db2.gz MNIQKPGOPFUWNG-UEXGIBASSA-N 1 1 396.506 4.065 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NCc3ccccc3F)CC2)c(C)c1 ZINC000026646248 820128099 /nfs/dbraw/zinc/12/80/99/820128099.db2.gz WGDNGCFQXSGXIK-SFHVURJKSA-N 1 1 396.506 4.042 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000026672881 820130186 /nfs/dbraw/zinc/13/01/86/820130186.db2.gz MXVVLYNTELIRJJ-KRWDZBQOSA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000026672881 820130194 /nfs/dbraw/zinc/13/01/94/820130194.db2.gz MXVVLYNTELIRJJ-KRWDZBQOSA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc2oc(C[NH2+]Cc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)cc2c1 ZINC000123060586 823455502 /nfs/dbraw/zinc/45/55/02/823455502.db2.gz RNZYIEORHJMHFM-HDICACEKSA-N 1 1 394.515 4.340 20 0 GIADMO O[C@H](COc1ccc2ccccc2c1)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000026715729 820136302 /nfs/dbraw/zinc/13/63/02/820136302.db2.gz CCGCACQOQUCTRD-UNMCSNQZSA-N 1 1 397.540 4.322 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCCOc3ccccc3)c2c1C ZINC000026730252 820137616 /nfs/dbraw/zinc/13/76/16/820137616.db2.gz CPKQHZMFFNTXIE-UHFFFAOYSA-N 1 1 382.533 4.395 20 0 GIADMO FC(F)(F)Oc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000026775761 820142908 /nfs/dbraw/zinc/14/29/08/820142908.db2.gz JYWHFQIIZXZOOX-UHFFFAOYSA-N 1 1 377.366 4.049 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000573158063 823456911 /nfs/dbraw/zinc/45/69/11/823456911.db2.gz JLTFIYGRQOWCMK-WHSLLNHNSA-N 1 1 387.474 4.330 20 0 GIADMO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000026910693 820163305 /nfs/dbraw/zinc/16/33/05/820163305.db2.gz DFFGCLPDVWBHMI-HUUCEWRRSA-N 1 1 382.489 4.210 20 0 GIADMO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000026910693 820163310 /nfs/dbraw/zinc/16/33/10/820163310.db2.gz DFFGCLPDVWBHMI-HUUCEWRRSA-N 1 1 382.489 4.210 20 0 GIADMO Cc1cccc2c1OCC[C@H]2NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000189610370 823457582 /nfs/dbraw/zinc/45/75/82/823457582.db2.gz GWVQSYSSGNSWFN-HXUWFJFHSA-N 1 1 397.544 4.189 20 0 GIADMO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000123074437 823457554 /nfs/dbraw/zinc/45/75/54/823457554.db2.gz YQLFEYABTPKRMD-DYVFJYSZSA-N 1 1 386.908 4.288 20 0 GIADMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1csc(-c2ccccc2OC)n1)c1ccccc1 ZINC000177419016 823458298 /nfs/dbraw/zinc/45/82/98/823458298.db2.gz NCDBXKLSHDGNDA-YWZLYKJASA-N 1 1 396.512 4.459 20 0 GIADMO Cc1ccccc1[C@H]([C@@H](C)N[C@H](C)c1ccc(Br)cn1)[NH+](C)C ZINC000573178850 823461873 /nfs/dbraw/zinc/46/18/73/823461873.db2.gz RQVZRPHZEQRODT-CLCXKQKWSA-N 1 1 376.342 4.495 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(COc2ccc(F)cc2)o1 ZINC000027334285 820225844 /nfs/dbraw/zinc/22/58/44/820225844.db2.gz QCCWNZOVPGJAGD-IBGZPJMESA-N 1 1 398.434 4.158 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000027349511 820229057 /nfs/dbraw/zinc/22/90/57/820229057.db2.gz RYNVWHDUUSEXES-GOSISDBHSA-N 1 1 378.419 4.146 20 0 GIADMO CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000410325957 823463706 /nfs/dbraw/zinc/46/37/06/823463706.db2.gz AZXKKOSFGOBWQX-SJORKVTESA-N 1 1 386.561 4.202 20 0 GIADMO CC(C)c1cccc(O[C@@H](C)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000410325957 823463711 /nfs/dbraw/zinc/46/37/11/823463711.db2.gz AZXKKOSFGOBWQX-SJORKVTESA-N 1 1 386.561 4.202 20 0 GIADMO O=C(NC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1)c1ccc(F)cc1 ZINC000027443121 820244922 /nfs/dbraw/zinc/24/49/22/820244922.db2.gz RSCDDQGQHIBFOG-UHFFFAOYSA-N 1 1 397.425 4.014 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000410326559 823464017 /nfs/dbraw/zinc/46/40/17/823464017.db2.gz FNMUOHIRTNGMPC-HUUCEWRRSA-N 1 1 392.952 4.040 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000410326559 823464019 /nfs/dbraw/zinc/46/40/19/823464019.db2.gz FNMUOHIRTNGMPC-HUUCEWRRSA-N 1 1 392.952 4.040 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+](CCC(N)=O)Cc3ccccc3)cs2)cc1 ZINC000027547671 820258435 /nfs/dbraw/zinc/25/84/35/820258435.db2.gz FBXGYBXBICQRJH-UHFFFAOYSA-N 1 1 395.528 4.086 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](CCC(N)=O)Cc3ccccc3)cs2)cc1 ZINC000027547671 820258442 /nfs/dbraw/zinc/25/84/42/820258442.db2.gz FBXGYBXBICQRJH-UHFFFAOYSA-N 1 1 395.528 4.086 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000027557946 820259216 /nfs/dbraw/zinc/25/92/16/820259216.db2.gz PLWQTTASXRPNQX-MRXNPFEDSA-N 1 1 380.467 4.260 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000027557946 820259223 /nfs/dbraw/zinc/25/92/23/820259223.db2.gz PLWQTTASXRPNQX-MRXNPFEDSA-N 1 1 380.467 4.260 20 0 GIADMO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(O)c(Cl)c2)c2cccs2)CC1 ZINC000027573181 820261418 /nfs/dbraw/zinc/26/14/18/820261418.db2.gz QLPQIGCWIGDESI-INIZCTEOSA-N 1 1 378.925 4.310 20 0 GIADMO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)n1 ZINC000027905962 820294755 /nfs/dbraw/zinc/29/47/55/820294755.db2.gz PRBBTXLFWUOQDU-CQSZACIVSA-N 1 1 386.496 4.124 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+]1Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000189670034 823471377 /nfs/dbraw/zinc/47/13/77/823471377.db2.gz DIUKCMLJYZJZNT-OAQYLSRUSA-N 1 1 387.549 4.181 20 0 GIADMO CC[C@]1(CO)CCC[N@H+]1Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1 ZINC000189670034 823471382 /nfs/dbraw/zinc/47/13/82/823471382.db2.gz DIUKCMLJYZJZNT-OAQYLSRUSA-N 1 1 387.549 4.181 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCn3cccc3[C@@H]2C)cc1 ZINC000410343696 823468441 /nfs/dbraw/zinc/46/84/41/823468441.db2.gz HFZZUWHYPIEYSB-OALUTQOASA-N 1 1 380.536 4.149 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCOc2ccccc2)cc1 ZINC000410343470 823468495 /nfs/dbraw/zinc/46/84/95/823468495.db2.gz GYGIODVDJVDYBL-HXUWFJFHSA-N 1 1 395.547 4.281 20 0 GIADMO CO[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccccc1 ZINC000410354366 823471456 /nfs/dbraw/zinc/47/14/56/823471456.db2.gz PNWXZQYOPGJIBG-WMZHIEFXSA-N 1 1 395.547 4.105 20 0 GIADMO Clc1ccc(-c2cnc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)o2)cc1 ZINC000177466177 823468799 /nfs/dbraw/zinc/46/87/99/823468799.db2.gz QPNNFRMMHCUVBX-SFHVURJKSA-N 1 1 376.884 4.155 20 0 GIADMO C[N@H+](CCc1ccccc1Cl)CC(=O)Nc1ccccc1Br ZINC000058906428 823469063 /nfs/dbraw/zinc/46/90/63/823469063.db2.gz VUDVCRXHCUNFLD-UHFFFAOYSA-N 1 1 381.701 4.216 20 0 GIADMO C[N@@H+](CCc1ccccc1Cl)CC(=O)Nc1ccccc1Br ZINC000058906428 823469068 /nfs/dbraw/zinc/46/90/68/823469068.db2.gz VUDVCRXHCUNFLD-UHFFFAOYSA-N 1 1 381.701 4.216 20 0 GIADMO CO[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccccc1 ZINC000410346683 823469174 /nfs/dbraw/zinc/46/91/74/823469174.db2.gz KECXZKOGLYWYIM-WMZHIEFXSA-N 1 1 395.547 4.248 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C4CC4)ccn3)CC[N@H+]2C2CC2)c1 ZINC000573255968 823471512 /nfs/dbraw/zinc/47/15/12/823471512.db2.gz SQCMJSDXANPNRF-RBBKRZOGSA-N 1 1 392.503 4.067 20 0 GIADMO Cc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000189663219 823470149 /nfs/dbraw/zinc/47/01/49/823470149.db2.gz WLANMEYBNVURGB-DYESRHJHSA-N 1 1 395.503 4.034 20 0 GIADMO CC[C@@H](CNC(=O)N(C)Cc1cccc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000028391706 820331916 /nfs/dbraw/zinc/33/19/16/820331916.db2.gz GVEJPRYZQVYZPI-NRFANRHFSA-N 1 1 385.939 4.318 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000177474083 823470773 /nfs/dbraw/zinc/47/07/73/823470773.db2.gz ONOBDGLPAOHBPD-XJKSGUPXSA-N 1 1 398.507 4.147 20 0 GIADMO O=C(NCc1ccc2sccc2c1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000573260739 823472437 /nfs/dbraw/zinc/47/24/37/823472437.db2.gz IWZZDWOLDOJQSA-HXUWFJFHSA-N 1 1 393.556 4.265 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177484989 823473393 /nfs/dbraw/zinc/47/33/93/823473393.db2.gz WIBCUIQUOVPFFP-HNNXBMFYSA-N 1 1 394.943 4.347 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCc3ccccc3C2)C1 ZINC000410359203 823473410 /nfs/dbraw/zinc/47/34/10/823473410.db2.gz LZQYKYICFDMGEV-LJQANCHMSA-N 1 1 377.532 4.186 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCc4sccc4C3)cc2)C1 ZINC000410358784 823473470 /nfs/dbraw/zinc/47/34/70/823473470.db2.gz IOVAFLQKEYESSV-QGZVFWFLSA-N 1 1 383.561 4.248 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCCCc1ccc(Br)cc1 ZINC000058943352 823473661 /nfs/dbraw/zinc/47/36/61/823473661.db2.gz UKTLINXYUBBWDA-OAHLLOKOSA-N 1 1 392.341 4.119 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000028887977 820367334 /nfs/dbraw/zinc/36/73/34/820367334.db2.gz JFDGHGUVMBKDFQ-GJZGRUSLSA-N 1 1 381.501 4.158 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3c[nH]c4ccccc34)cc2)C1 ZINC000058948514 823474317 /nfs/dbraw/zinc/47/43/17/823474317.db2.gz XYYOLZMXQHSCQL-GOSISDBHSA-N 1 1 375.516 4.259 20 0 GIADMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(Br)cn1 ZINC000028927052 820374769 /nfs/dbraw/zinc/37/47/69/820374769.db2.gz FVVVTLYXEKTYOV-UHFFFAOYSA-N 1 1 396.288 4.162 20 0 GIADMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000028975557 820378731 /nfs/dbraw/zinc/37/87/31/820378731.db2.gz KDFCLMMRDJQOLN-KRWDZBQOSA-N 1 1 384.480 4.157 20 0 GIADMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000028975557 820378740 /nfs/dbraw/zinc/37/87/40/820378740.db2.gz KDFCLMMRDJQOLN-KRWDZBQOSA-N 1 1 384.480 4.157 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000058952374 823474919 /nfs/dbraw/zinc/47/49/19/823474919.db2.gz UBJOPCVFIVPYGN-HGZMWJMZSA-N 1 1 393.487 4.156 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccccc2N(C)C)C1 ZINC000410363706 823475086 /nfs/dbraw/zinc/47/50/86/823475086.db2.gz WSYXGDVOTDJWAJ-GOSISDBHSA-N 1 1 380.536 4.306 20 0 GIADMO COc1cc(F)ccc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410364190 823475114 /nfs/dbraw/zinc/47/51/14/823475114.db2.gz YKGUCFXMPZQXCU-INIZCTEOSA-N 1 1 385.483 4.388 20 0 GIADMO Cc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cnn1-c1ccc(C)cc1 ZINC000029051555 820387992 /nfs/dbraw/zinc/38/79/92/820387992.db2.gz VIQXOZGTUCEYEW-OAQYLSRUSA-N 1 1 396.922 4.175 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000029070153 820388987 /nfs/dbraw/zinc/38/89/87/820388987.db2.gz MDWFHKLWVBHAQV-QGZVFWFLSA-N 1 1 377.492 4.022 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000029070153 820388998 /nfs/dbraw/zinc/38/89/98/820388998.db2.gz MDWFHKLWVBHAQV-QGZVFWFLSA-N 1 1 377.492 4.022 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000058954363 823475310 /nfs/dbraw/zinc/47/53/10/823475310.db2.gz SRRSQEWOLOSANL-UHFFFAOYSA-N 1 1 397.950 4.148 20 0 GIADMO CCc1cccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410365620 823475910 /nfs/dbraw/zinc/47/59/10/823475910.db2.gz DYWTVTCLRRVXAW-HDICACEKSA-N 1 1 381.520 4.180 20 0 GIADMO Cc1cccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000029150163 820399596 /nfs/dbraw/zinc/39/95/96/820399596.db2.gz JKVYETLEZMFMJS-OAHLLOKOSA-N 1 1 380.410 4.352 20 0 GIADMO Cc1cccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000029150163 820399606 /nfs/dbraw/zinc/39/96/06/820399606.db2.gz JKVYETLEZMFMJS-OAHLLOKOSA-N 1 1 380.410 4.352 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000058957265 823476063 /nfs/dbraw/zinc/47/60/63/823476063.db2.gz LWIKRIIQIQCJJD-GFCCVEGCSA-N 1 1 388.924 4.343 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000058956993 823476075 /nfs/dbraw/zinc/47/60/75/823476075.db2.gz IEDQPZNWRBKFCN-HNNXBMFYSA-N 1 1 393.453 4.475 20 0 GIADMO Cc1nc(C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)c(-c2ccccc2)s1 ZINC000573258043 823471799 /nfs/dbraw/zinc/47/17/99/823471799.db2.gz QWZHYFCGFJBHQG-UHFFFAOYSA-N 1 1 394.544 4.108 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000460693889 823482988 /nfs/dbraw/zinc/48/29/88/823482988.db2.gz WHRGTJNABDYZDX-OAQYLSRUSA-N 1 1 396.556 4.009 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3F)cc2)C1 ZINC000410370100 823478018 /nfs/dbraw/zinc/47/80/18/823478018.db2.gz ANGMPFPWIBMTAD-SFHVURJKSA-N 1 1 383.511 4.399 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(Cc3csc(-c4ccco4)n3)CC2)C[C@H](C)O1 ZINC000177505404 823479024 /nfs/dbraw/zinc/47/90/24/823479024.db2.gz OBFSITVWJHMCRF-CALCHBBNSA-N 1 1 389.565 4.114 20 0 GIADMO C[C@H](C1CC1)n1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000189714610 823480740 /nfs/dbraw/zinc/48/07/40/823480740.db2.gz VDDBZBBXASJFIL-ALKREAHSSA-N 1 1 387.553 4.120 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)C1 ZINC000177518330 823481019 /nfs/dbraw/zinc/48/10/19/823481019.db2.gz GOQSDJZVABWRST-QGZVFWFLSA-N 1 1 395.507 4.136 20 0 GIADMO Cc1cccc(COc2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000410387490 823483441 /nfs/dbraw/zinc/48/34/41/823483441.db2.gz GRDTVUCQBWZKFP-VXKWHMMOSA-N 1 1 393.531 4.000 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000029615764 820485048 /nfs/dbraw/zinc/48/50/48/820485048.db2.gz JZLHFBCGRCGESD-KBPBESRZSA-N 1 1 376.884 4.343 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cs1)c1ccc(F)cc1 ZINC000189732623 823483494 /nfs/dbraw/zinc/48/34/94/823483494.db2.gz XJJQHZQWVICSSA-KRWDZBQOSA-N 1 1 377.485 4.014 20 0 GIADMO Cc1ccnn1-c1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1 ZINC000029637594 820489705 /nfs/dbraw/zinc/48/97/05/820489705.db2.gz XQKUUUQPDIYWAG-UHFFFAOYSA-N 1 1 395.532 4.266 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000177528708 823482924 /nfs/dbraw/zinc/48/29/24/823482924.db2.gz CZXXQFZDFZOPHY-GOSISDBHSA-N 1 1 394.519 4.135 20 0 GIADMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000177532945 823484391 /nfs/dbraw/zinc/48/43/91/823484391.db2.gz RZUDYHRCQIOSMI-GXTWGEPZSA-N 1 1 388.265 4.470 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(=O)Nc2c(C)cccc2F)c1 ZINC000460697572 823484523 /nfs/dbraw/zinc/48/45/23/823484523.db2.gz KKBSDLIUBWRPLG-UHFFFAOYSA-N 1 1 399.510 4.011 20 0 GIADMO CNC(=O)c1ccc(C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C2CC2)cc1 ZINC000029718599 820505920 /nfs/dbraw/zinc/50/59/20/820505920.db2.gz ISUNJBLFRRFPNO-UHFFFAOYSA-N 1 1 379.435 4.005 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C2CC2)cc1 ZINC000029718599 820505927 /nfs/dbraw/zinc/50/59/27/820505927.db2.gz ISUNJBLFRRFPNO-UHFFFAOYSA-N 1 1 379.435 4.005 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc3ccccc3c2)C[C@H](C)O1 ZINC000059058824 823485011 /nfs/dbraw/zinc/48/50/11/823485011.db2.gz LIFHHAMXEGYIEC-OALUTQOASA-N 1 1 388.511 4.379 20 0 GIADMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029773282 820515277 /nfs/dbraw/zinc/51/52/77/820515277.db2.gz NNKKWXAVVPPCRK-UHFFFAOYSA-N 1 1 393.506 4.364 20 0 GIADMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029773282 820515280 /nfs/dbraw/zinc/51/52/80/820515280.db2.gz NNKKWXAVVPPCRK-UHFFFAOYSA-N 1 1 393.506 4.364 20 0 GIADMO CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029827030 820525822 /nfs/dbraw/zinc/52/58/22/820525822.db2.gz RFGYYMINKFKXFR-IBGZPJMESA-N 1 1 377.488 4.056 20 0 GIADMO O=C(c1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1)N1CCCC1 ZINC000029828316 820527587 /nfs/dbraw/zinc/52/75/87/820527587.db2.gz IRKREPJEDPHHAJ-FQEVSTJZSA-N 1 1 389.499 4.443 20 0 GIADMO C[C@@H](C1CC1)[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000029843788 820531372 /nfs/dbraw/zinc/53/13/72/820531372.db2.gz JAVDWXIZAOONLK-INIZCTEOSA-N 1 1 388.458 4.205 20 0 GIADMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000029843736 820531436 /nfs/dbraw/zinc/53/14/36/820531436.db2.gz UYUKWKLTAPJNMI-SFHVURJKSA-N 1 1 391.515 4.053 20 0 GIADMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1ccc(C)cc1 ZINC000029870095 820536107 /nfs/dbraw/zinc/53/61/07/820536107.db2.gz DNDGDBKUZJILDT-OAQYLSRUSA-N 1 1 392.503 4.039 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OC)c3ncccc23)CC1 ZINC000123279296 823489808 /nfs/dbraw/zinc/48/98/08/823489808.db2.gz XDWIPLBBJQGSJU-UHFFFAOYSA-N 1 1 384.524 4.219 20 0 GIADMO Cc1cc(Br)c2c(c1)C[N@H+](Cc1cn(C)nc1-c1cccnc1)CC2 ZINC000189753592 823488394 /nfs/dbraw/zinc/48/83/94/823488394.db2.gz MFEFDXJAZPYLGP-UHFFFAOYSA-N 1 1 397.320 4.111 20 0 GIADMO Cc1cc(Br)c2c(c1)C[N@@H+](Cc1cn(C)nc1-c1cccnc1)CC2 ZINC000189753592 823488399 /nfs/dbraw/zinc/48/83/99/823488399.db2.gz MFEFDXJAZPYLGP-UHFFFAOYSA-N 1 1 397.320 4.111 20 0 GIADMO Cc1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(Br)cc2)cs1 ZINC000189760829 823489890 /nfs/dbraw/zinc/48/98/90/823489890.db2.gz WNXWBCDATCLKEU-MRXNPFEDSA-N 1 1 394.338 4.380 20 0 GIADMO Cc1ccc(-c2nc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@@H]43)cs2)o1 ZINC000123305199 823493656 /nfs/dbraw/zinc/49/36/56/823493656.db2.gz UJOTVCSFGYNIBR-APWZRJJASA-N 1 1 393.512 4.468 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000030153985 820580573 /nfs/dbraw/zinc/58/05/73/820580573.db2.gz OJOAKZXJKUCCNP-UHFFFAOYSA-N 1 1 396.922 4.406 20 0 GIADMO COc1cccc2cc(C(=O)N3c4ccc(C)cc4[C@@H]4C[N@H+](C)CC[C@@H]43)oc21 ZINC000123306962 823494099 /nfs/dbraw/zinc/49/40/99/823494099.db2.gz FWQZMNXSMIQTLY-HKUYNNGSSA-N 1 1 376.456 4.198 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2nc(C3CC3)cs2)CC1 ZINC000123318687 823495493 /nfs/dbraw/zinc/49/54/93/823495493.db2.gz PGCJDORKWQDTFT-MRXNPFEDSA-N 1 1 390.597 4.207 20 0 GIADMO Cc1ccc(C[N@@H+](CC(=O)NCC(F)(F)F)[C@H]2CCc3ccccc32)cc1 ZINC000059405752 823495484 /nfs/dbraw/zinc/49/54/84/823495484.db2.gz HFBCYIGXKVUQBV-IBGZPJMESA-N 1 1 376.422 4.163 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3c(C)cccc3F)CC[N@H+]2C2CC2)c1 ZINC000189765481 823490481 /nfs/dbraw/zinc/49/04/81/823490481.db2.gz YLZMBIJZXVJOLB-PZJWPPBQSA-N 1 1 383.467 4.242 20 0 GIADMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)c1ccsc1 ZINC000030435271 820616819 /nfs/dbraw/zinc/61/68/19/820616819.db2.gz AHXMYPAVDZOKDH-FQEVSTJZSA-N 1 1 388.558 4.263 20 0 GIADMO C[C@@H](C1CC1)n1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000189770925 823491605 /nfs/dbraw/zinc/49/16/05/823491605.db2.gz YPQFWNRVJAQVDH-KGVIQGDOSA-N 1 1 395.551 4.371 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccn(-c2ccc(F)cc2)n1 ZINC000030567243 820642211 /nfs/dbraw/zinc/64/22/11/820642211.db2.gz FVIBQJXFSBQEOQ-UHFFFAOYSA-N 1 1 399.495 4.096 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2s1)Nc1ccccc1 ZINC000030590086 820646713 /nfs/dbraw/zinc/64/67/13/820646713.db2.gz KXBGQIGDAHNHCU-KRWDZBQOSA-N 1 1 380.517 4.473 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2s1)Nc1ccccc1 ZINC000030590086 820646717 /nfs/dbraw/zinc/64/67/17/820646717.db2.gz KXBGQIGDAHNHCU-KRWDZBQOSA-N 1 1 380.517 4.473 20 0 GIADMO COc1cc(C[NH2+]Cc2nc(C)cs2)cc(OC)c1OCc1ccccc1 ZINC000030636404 820655803 /nfs/dbraw/zinc/65/58/03/820655803.db2.gz UCRQMHUUDFIOTM-UHFFFAOYSA-N 1 1 384.501 4.338 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177582655 823496063 /nfs/dbraw/zinc/49/60/63/823496063.db2.gz AOUQCOMARLATQP-LPHOPBHVSA-N 1 1 394.943 4.026 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cn1 ZINC000059583659 823496736 /nfs/dbraw/zinc/49/67/36/823496736.db2.gz NBJBDCHTZMTQQX-UHFFFAOYSA-N 1 1 382.467 4.102 20 0 GIADMO c1c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907272 820707101 /nfs/dbraw/zinc/70/71/01/820707101.db2.gz PKGJVPPETXKEEA-NRFANRHFSA-N 1 1 386.543 4.172 20 0 GIADMO c1c(CNC[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907272 820707117 /nfs/dbraw/zinc/70/71/17/820707117.db2.gz PKGJVPPETXKEEA-NRFANRHFSA-N 1 1 386.543 4.172 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000031006842 820720732 /nfs/dbraw/zinc/72/07/32/820720732.db2.gz URJDYQFJFOTUNC-AWEZNQCLSA-N 1 1 387.936 4.429 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031006842 820720739 /nfs/dbraw/zinc/72/07/39/820720739.db2.gz URJDYQFJFOTUNC-AWEZNQCLSA-N 1 1 387.936 4.429 20 0 GIADMO Cc1cccc2nc(C3CC[NH+](CC(=O)N[C@H](C)c4ccccc4)CC3)oc21 ZINC000189813231 823500022 /nfs/dbraw/zinc/50/00/22/823500022.db2.gz YDMLEFSSCSIERQ-QGZVFWFLSA-N 1 1 377.488 4.193 20 0 GIADMO CC(C)c1cc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c2cnn(C(C)C)c2n1 ZINC000059983566 823504035 /nfs/dbraw/zinc/50/40/35/823504035.db2.gz VGEMDIIGDIHTKU-KRWDZBQOSA-N 1 1 399.583 4.376 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177611997 823500833 /nfs/dbraw/zinc/50/08/33/823500833.db2.gz NGYLKXRVJKRTKD-QFBILLFUSA-N 1 1 394.943 4.026 20 0 GIADMO Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177613998 823501441 /nfs/dbraw/zinc/50/14/41/823501441.db2.gz GODTUZZFBSSRGE-KRWDZBQOSA-N 1 1 380.492 4.170 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000177639736 823505864 /nfs/dbraw/zinc/50/58/64/823505864.db2.gz JVPDZUICJTUWJY-OAHLLOKOSA-N 1 1 377.423 4.254 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000177639736 823505868 /nfs/dbraw/zinc/50/58/68/823505868.db2.gz JVPDZUICJTUWJY-OAHLLOKOSA-N 1 1 377.423 4.254 20 0 GIADMO CCCCC1CCC(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000059935813 823503218 /nfs/dbraw/zinc/50/32/18/823503218.db2.gz JJYNIBRSYGITFM-CNBHCMJISA-N 1 1 385.552 4.071 20 0 GIADMO CCCCC1CCC(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000059935813 823503222 /nfs/dbraw/zinc/50/32/22/823503222.db2.gz JJYNIBRSYGITFM-CNBHCMJISA-N 1 1 385.552 4.071 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)s2)o1 ZINC000031415889 820807849 /nfs/dbraw/zinc/80/78/49/820807849.db2.gz AFDNZVCXUMBLDW-SFHVURJKSA-N 1 1 395.528 4.414 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)s2)o1 ZINC000031415889 820807861 /nfs/dbraw/zinc/80/78/61/820807861.db2.gz AFDNZVCXUMBLDW-SFHVURJKSA-N 1 1 395.528 4.414 20 0 GIADMO CC(C)O[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000410551567 823503617 /nfs/dbraw/zinc/50/36/17/823503617.db2.gz ZYNOTDQIJJXTNM-VJBMBRPKSA-N 1 1 380.532 4.180 20 0 GIADMO CC[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1c(C)noc1C ZINC000123383436 823503695 /nfs/dbraw/zinc/50/36/95/823503695.db2.gz HLRKCGLCCOZZTE-JXFKEZNVSA-N 1 1 390.572 4.429 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031566512 820826898 /nfs/dbraw/zinc/82/68/98/820826898.db2.gz VIYWFOPHLZOFKE-OAQYLSRUSA-N 1 1 387.527 4.175 20 0 GIADMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000177657468 823508781 /nfs/dbraw/zinc/50/87/81/823508781.db2.gz BGZVZQRZIIAELT-MSOLQXFVSA-N 1 1 381.520 4.188 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC[N@H+]1C ZINC000123436816 823508929 /nfs/dbraw/zinc/50/89/29/823508929.db2.gz XARCFKSANHGSTQ-AEFFLSMTSA-N 1 1 394.544 4.156 20 0 GIADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1scnc1C(F)(F)F ZINC000410721490 823511029 /nfs/dbraw/zinc/51/10/29/823511029.db2.gz MMKLPSOYRQBAHE-AWEZNQCLSA-N 1 1 385.455 4.048 20 0 GIADMO CCOc1cccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000060185078 823511071 /nfs/dbraw/zinc/51/10/71/823511071.db2.gz RHUXYCWIRLZPET-FXAWDEMLSA-N 1 1 384.495 4.314 20 0 GIADMO O=C(CSc1ccc2c(c1)CCC2)Nc1ccccc1C[NH+]1CCSCC1 ZINC000060220399 823512553 /nfs/dbraw/zinc/51/25/53/823512553.db2.gz HQZGZIVDEBWOOR-UHFFFAOYSA-N 1 1 398.597 4.455 20 0 GIADMO CN(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244822 823513096 /nfs/dbraw/zinc/51/30/96/823513096.db2.gz DSBYCBJGUAQVCJ-KRWDZBQOSA-N 1 1 391.968 4.455 20 0 GIADMO O=C(NCc1ccc(Cl)cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244793 823513242 /nfs/dbraw/zinc/51/32/42/823513242.db2.gz UEBTUYPJADCDEB-INIZCTEOSA-N 1 1 377.941 4.113 20 0 GIADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC000032268234 820905696 /nfs/dbraw/zinc/90/56/96/820905696.db2.gz VBTVZIWIRZQJBQ-OAQYLSRUSA-N 1 1 398.572 4.066 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000177710440 823515598 /nfs/dbraw/zinc/51/55/98/823515598.db2.gz DBKRJVVAIBBEMV-FQEVSTJZSA-N 1 1 392.547 4.333 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000177710440 823515600 /nfs/dbraw/zinc/51/56/00/823515600.db2.gz DBKRJVVAIBBEMV-FQEVSTJZSA-N 1 1 392.547 4.333 20 0 GIADMO CCOc1ccccc1CNc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000123507482 823515750 /nfs/dbraw/zinc/51/57/50/823515750.db2.gz VCXDPYBIZJCNEQ-UHFFFAOYSA-N 1 1 381.520 4.430 20 0 GIADMO C[C@@H](CNC(=O)c1ccc2c3c(cccc31)CC2)[N@@H+]1CCc2sccc2C1 ZINC000032429107 820942755 /nfs/dbraw/zinc/94/27/55/820942755.db2.gz ORAKAMRUXCRTCM-HNNXBMFYSA-N 1 1 376.525 4.177 20 0 GIADMO C[C@@H](CNC(=O)c1ccc2c3c(cccc31)CC2)[N@H+]1CCc2sccc2C1 ZINC000032429107 820942757 /nfs/dbraw/zinc/94/27/57/820942757.db2.gz ORAKAMRUXCRTCM-HNNXBMFYSA-N 1 1 376.525 4.177 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000189961276 823518141 /nfs/dbraw/zinc/51/81/41/823518141.db2.gz MCNOJEFYXNTVSR-HXUWFJFHSA-N 1 1 387.568 4.481 20 0 GIADMO CC[C@H](CNC(=O)c1ccc(Br)s1)[N@H+]1CCc2ccccc2C1 ZINC000032446090 820946118 /nfs/dbraw/zinc/94/61/18/820946118.db2.gz NALOCNZXNRQGCJ-OAHLLOKOSA-N 1 1 393.350 4.077 20 0 GIADMO O=C(Nc1cccc(F)c1F)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000060351071 823518219 /nfs/dbraw/zinc/51/82/19/823518219.db2.gz ILRGLPMXGXAROP-GOSISDBHSA-N 1 1 384.348 4.358 20 0 GIADMO O=C([C@@H]1CCCc2ccccc21)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355361 823518949 /nfs/dbraw/zinc/51/89/49/823518949.db2.gz BBTOHGJJCWVXFG-XMMPIXPASA-N 1 1 376.544 4.274 20 0 GIADMO COc1cc(Cl)ccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355277 823518956 /nfs/dbraw/zinc/51/89/56/823518956.db2.gz DHKYHNAMHBTLLC-UHFFFAOYSA-N 1 1 386.923 4.129 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1sc(-c2ccc(C)o2)nc1C)[NH+](C)C ZINC000032695611 820992828 /nfs/dbraw/zinc/99/28/28/820992828.db2.gz WIRUHAWYRWAITH-INIZCTEOSA-N 1 1 399.516 4.061 20 0 GIADMO COCc1c(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)sc2cccc(F)c21 ZINC000032733191 820999465 /nfs/dbraw/zinc/99/94/65/820999465.db2.gz PPQMVHGWALHYCT-UONOGXRCSA-N 1 1 378.513 4.180 20 0 GIADMO C[C@@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc21)[N@H+]1CCCC[C@@H]1C ZINC000032732573 820999497 /nfs/dbraw/zinc/99/94/97/820999497.db2.gz FGXMBYFUXVKVGO-ROUUACIJSA-N 1 1 388.515 4.290 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000032737102 821000971 /nfs/dbraw/zinc/00/09/71/821000971.db2.gz ZOQOMWGUSWFAIT-OLZOCXBDSA-N 1 1 393.890 4.435 20 0 GIADMO Cc1nc([C@H]2CCCN2C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cs1 ZINC000189980987 823521047 /nfs/dbraw/zinc/52/10/47/823521047.db2.gz HOJHBFWCTCIOSA-MSOLQXFVSA-N 1 1 392.956 4.254 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000032766038 821006043 /nfs/dbraw/zinc/00/60/43/821006043.db2.gz CJZDTIBLDOFTAZ-UHFFFAOYSA-N 1 1 393.556 4.294 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)c1 ZINC000460819147 823521293 /nfs/dbraw/zinc/52/12/93/823521293.db2.gz ZVERSRQQPKBBMI-UHFFFAOYSA-N 1 1 377.463 4.087 20 0 GIADMO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1c(C)noc1C ZINC000123561620 823521393 /nfs/dbraw/zinc/52/13/93/823521393.db2.gz IVPRILLXPWLGRY-ORYQWCPZSA-N 1 1 398.551 4.295 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000032927230 821019489 /nfs/dbraw/zinc/01/94/89/821019489.db2.gz NTHQLGGQVBIXRG-OAHLLOKOSA-N 1 1 387.549 4.182 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000060394829 823523313 /nfs/dbraw/zinc/52/33/13/823523313.db2.gz TXJJPRZGOZDOEH-UHFFFAOYSA-N 1 1 393.369 4.060 20 0 GIADMO OC1(c2c(F)cccc2F)CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000190024354 823527520 /nfs/dbraw/zinc/52/75/20/823527520.db2.gz PAYMFQBURNKVDX-UHFFFAOYSA-N 1 1 383.385 4.092 20 0 GIADMO CCN(C(=O)c1cc(-c2ccncc2)on1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000123612730 823525780 /nfs/dbraw/zinc/52/57/80/823525780.db2.gz NPHRYWBGWHNOHS-FXAWDEMLSA-N 1 1 390.487 4.034 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1 ZINC000038630068 821098589 /nfs/dbraw/zinc/09/85/89/821098589.db2.gz UTYOIDTUIVODCK-ZDUSSCGKSA-N 1 1 394.315 4.350 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnn(CCC(C)C)c1C ZINC000123658192 823529715 /nfs/dbraw/zinc/52/97/15/823529715.db2.gz KYWQXZWXJQHJAZ-QFIPXVFZSA-N 1 1 396.579 4.222 20 0 GIADMO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@@H+]4CCC[C@H](O)C4)cc3)sc2c1 ZINC000039486833 821107023 /nfs/dbraw/zinc/10/70/23/821107023.db2.gz JWDUHBJMODIQFA-QAPCUYQASA-N 1 1 395.528 4.055 20 0 GIADMO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@H+]4CCC[C@H](O)C4)cc3)sc2c1 ZINC000039486833 821107033 /nfs/dbraw/zinc/10/70/33/821107033.db2.gz JWDUHBJMODIQFA-QAPCUYQASA-N 1 1 395.528 4.055 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)nnn1-c1ccc(Cl)cc1 ZINC000177791728 823526677 /nfs/dbraw/zinc/52/66/77/823526677.db2.gz MXBXDXWJOGOGIC-STQMWFEESA-N 1 1 384.867 4.370 20 0 GIADMO COC(=O)C[C@](C)([NH2+]Cc1cnc(-c2ccc(C)cc2)s1)c1ccncc1 ZINC000190021008 823526928 /nfs/dbraw/zinc/52/69/28/823526928.db2.gz LWSWUJJVXNAMFV-NRFANRHFSA-N 1 1 381.501 4.082 20 0 GIADMO FC(F)Oc1ccc(CN2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000060460411 823530381 /nfs/dbraw/zinc/53/03/81/823530381.db2.gz DSVJKQCAIUEIFQ-UHFFFAOYSA-N 1 1 398.400 4.207 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1nccs1 ZINC000123679568 823531035 /nfs/dbraw/zinc/53/10/35/823531035.db2.gz ITYKNSFLSYKFES-QFBILLFUSA-N 1 1 386.565 4.468 20 0 GIADMO CCN(C(=O)Nc1ccc2c(c1)COC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000123692179 823532201 /nfs/dbraw/zinc/53/22/01/823532201.db2.gz CXFGURAQZGIRJL-JTSKRJEESA-N 1 1 379.504 4.406 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000060475085 823532238 /nfs/dbraw/zinc/53/22/38/823532238.db2.gz GGBKJEVOPKPAEY-GOSISDBHSA-N 1 1 396.506 4.337 20 0 GIADMO COc1ccccc1OCCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000060475192 823532258 /nfs/dbraw/zinc/53/22/58/823532258.db2.gz YYYJJYHRRMZHRD-LJQANCHMSA-N 1 1 396.531 4.012 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1NC(=O)C(C)(C)C ZINC000123729430 823535562 /nfs/dbraw/zinc/53/55/62/823535562.db2.gz YLTXUTBROHRQEG-KRWDZBQOSA-N 1 1 388.556 4.079 20 0 GIADMO Cn1cc(-c2nc(C[N@H+](C)CCCOc3cccc(Cl)c3)cs2)cn1 ZINC000060479321 823532829 /nfs/dbraw/zinc/53/28/29/823532829.db2.gz SRYNFDAFHBXFHO-UHFFFAOYSA-N 1 1 376.913 4.098 20 0 GIADMO Cn1cc(-c2nc(C[N@@H+](C)CCCOc3cccc(Cl)c3)cs2)cn1 ZINC000060479321 823532831 /nfs/dbraw/zinc/53/28/31/823532831.db2.gz SRYNFDAFHBXFHO-UHFFFAOYSA-N 1 1 376.913 4.098 20 0 GIADMO Cc1ccncc1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000460876590 823534531 /nfs/dbraw/zinc/53/45/31/823534531.db2.gz DMMJUJSSNIEACK-UHFFFAOYSA-N 1 1 391.437 4.145 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000177840772 823534775 /nfs/dbraw/zinc/53/47/75/823534775.db2.gz KKFFYWHEGSLEQM-RTWAWAEBSA-N 1 1 377.488 4.008 20 0 GIADMO Clc1cccc(-c2cnc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)o2)c1 ZINC000123732444 823535913 /nfs/dbraw/zinc/53/59/13/823535913.db2.gz QHEFVRHQLKLISV-IAGOWNOFSA-N 1 1 378.925 4.482 20 0 GIADMO Clc1cccc(-c2cnc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)o2)c1 ZINC000123732444 823535917 /nfs/dbraw/zinc/53/59/17/823535917.db2.gz QHEFVRHQLKLISV-IAGOWNOFSA-N 1 1 378.925 4.482 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000177863867 823538174 /nfs/dbraw/zinc/53/81/74/823538174.db2.gz VNMVQXUVISRJRT-MRXNPFEDSA-N 1 1 387.474 4.037 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC000177864490 823538370 /nfs/dbraw/zinc/53/83/70/823538370.db2.gz FXQWPCFXYIQKTI-KXBFYZLASA-N 1 1 391.968 4.474 20 0 GIADMO CC(C)c1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(C(C)C)c1 ZINC000190112505 823538577 /nfs/dbraw/zinc/53/85/77/823538577.db2.gz PIDCIMOFCXPQJE-QGZVFWFLSA-N 1 1 375.557 4.242 20 0 GIADMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000042286515 821295527 /nfs/dbraw/zinc/29/55/27/821295527.db2.gz RLGLRFCJSCWSHN-GXTWGEPZSA-N 1 1 397.397 4.092 20 0 GIADMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000042286515 821295532 /nfs/dbraw/zinc/29/55/32/821295532.db2.gz RLGLRFCJSCWSHN-GXTWGEPZSA-N 1 1 397.397 4.092 20 0 GIADMO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000042474082 821308537 /nfs/dbraw/zinc/30/85/37/821308537.db2.gz RVHUAAHLFOUGJS-QGZVFWFLSA-N 1 1 382.533 4.318 20 0 GIADMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000042474082 821308545 /nfs/dbraw/zinc/30/85/45/821308545.db2.gz RVHUAAHLFOUGJS-QGZVFWFLSA-N 1 1 382.533 4.318 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000042539798 821310146 /nfs/dbraw/zinc/31/01/46/821310146.db2.gz XZJWWGCDNUTNQN-KRWDZBQOSA-N 1 1 377.488 4.070 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C)cc3)CC2)c1 ZINC000042539798 821310154 /nfs/dbraw/zinc/31/01/54/821310154.db2.gz XZJWWGCDNUTNQN-KRWDZBQOSA-N 1 1 377.488 4.070 20 0 GIADMO O=C(c1ccnc2ccccc21)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000123794757 823541594 /nfs/dbraw/zinc/54/15/94/823541594.db2.gz ZCCZCZVANMMSLN-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1ccnc2ccccc21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000123794757 823541598 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GIADMO Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000180686902 821395112 /nfs/dbraw/zinc/39/51/12/821395112.db2.gz BXNBCCQWZGMXOX-OALUTQOASA-N 1 1 398.526 4.046 20 0 GIADMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1nnc(C2CC2)s1 ZINC000043360148 821397755 /nfs/dbraw/zinc/39/77/55/821397755.db2.gz JAWVGLMGDWCTOC-HNNXBMFYSA-N 1 1 391.928 4.028 20 0 GIADMO O=C(Nc1cccc(Cl)c1F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000043450319 821408752 /nfs/dbraw/zinc/40/87/52/821408752.db2.gz CGNFXPRMEMRJIV-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO O=C(Nc1cccc(Cl)c1F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000043450319 821408761 /nfs/dbraw/zinc/40/87/61/821408761.db2.gz CGNFXPRMEMRJIV-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)CC[C@@H]21 ZINC000180708892 821409427 /nfs/dbraw/zinc/40/94/27/821409427.db2.gz BANDRIZGBKKGDZ-YTQUADARSA-N 1 1 395.469 4.282 20 0 GIADMO CCOc1cccc([C@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000180718633 821416290 /nfs/dbraw/zinc/41/62/90/821416290.db2.gz FFPVCWNCLIPEIV-AWEZNQCLSA-N 1 1 381.501 4.159 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000180724426 821418986 /nfs/dbraw/zinc/41/89/86/821418986.db2.gz TWVIORKZQMNLJM-YADHBBJMSA-N 1 1 379.479 4.314 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccncc1)[C@@H](C)c1ccccc1 ZINC000043563899 821427476 /nfs/dbraw/zinc/42/74/76/821427476.db2.gz WXWYSSXBJMLZMH-GHTZIAJQSA-N 1 1 382.577 4.004 20 0 GIADMO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000180740435 821428406 /nfs/dbraw/zinc/42/84/06/821428406.db2.gz MAECWQCABONMTD-MRXNPFEDSA-N 1 1 386.458 4.271 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c(OC)c1 ZINC000043644374 821435133 /nfs/dbraw/zinc/43/51/33/821435133.db2.gz MPMJEMXCMCKNHO-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c(OC)c1 ZINC000043644374 821435137 /nfs/dbraw/zinc/43/51/37/821435137.db2.gz MPMJEMXCMCKNHO-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cc(C)c(C)cc3Cl)CC2)oc1C ZINC000180769938 821444533 /nfs/dbraw/zinc/44/45/33/821444533.db2.gz RPCMWKVOOKYDJW-UHFFFAOYSA-N 1 1 389.927 4.204 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)C[C@@H](C)O1 ZINC000043781803 821457758 /nfs/dbraw/zinc/45/77/58/821457758.db2.gz ZTPZKYWZJSQNFW-WOJBJXKFSA-N 1 1 392.543 4.148 20 0 GIADMO CCCCC[N@H+](CC(N)=O)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000180807492 821470353 /nfs/dbraw/zinc/47/03/53/821470353.db2.gz HGFLBUJLYHRHQR-UHFFFAOYSA-N 1 1 387.911 4.070 20 0 GIADMO CCCCC[N@@H+](CC(N)=O)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000180807492 821470358 /nfs/dbraw/zinc/47/03/58/821470358.db2.gz HGFLBUJLYHRHQR-UHFFFAOYSA-N 1 1 387.911 4.070 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)o2)cc1C ZINC000180874019 821506913 /nfs/dbraw/zinc/50/69/13/821506913.db2.gz XEVKJLKHQPRBHW-WMZOPIPTSA-N 1 1 392.507 4.220 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000044031580 821507701 /nfs/dbraw/zinc/50/77/01/821507701.db2.gz VOUVDKKZEHRSIQ-OAQYLSRUSA-N 1 1 394.519 4.067 20 0 GIADMO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2cccc(C(=O)N(C)C)c2)C3)cs1 ZINC000180881865 821510674 /nfs/dbraw/zinc/51/06/74/821510674.db2.gz SKRWOSSTHZADRA-UHFFFAOYSA-N 1 1 397.569 4.440 20 0 GIADMO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C3)cs1 ZINC000180881865 821510678 /nfs/dbraw/zinc/51/06/78/821510678.db2.gz SKRWOSSTHZADRA-UHFFFAOYSA-N 1 1 397.569 4.440 20 0 GIADMO Cn1cc([C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c2cccc(F)c2)cn1 ZINC000180913354 821533495 /nfs/dbraw/zinc/53/34/95/821533495.db2.gz HTQUJNSCXSRNPF-IEBWSBKVSA-N 1 1 394.277 4.279 20 0 GIADMO CN(C)C1(C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CCOCC1 ZINC000180940463 821548425 /nfs/dbraw/zinc/54/84/25/821548425.db2.gz YDGSQBWWPPMPBX-UHFFFAOYSA-N 1 1 382.426 4.166 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000180959071 821556779 /nfs/dbraw/zinc/55/67/79/821556779.db2.gz OGEGTXCEJDWLAE-UHFFFAOYSA-N 1 1 377.448 4.079 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000044366812 821578482 /nfs/dbraw/zinc/57/84/82/821578482.db2.gz DMLBYBNSHKKJGN-KBPBESRZSA-N 1 1 386.462 4.013 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000044533363 821601125 /nfs/dbraw/zinc/60/11/25/821601125.db2.gz CQJFFZMFQBJLOT-HNNXBMFYSA-N 1 1 389.590 4.206 20 0 GIADMO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533159 821601132 /nfs/dbraw/zinc/60/11/32/821601132.db2.gz DBSXSPWPJZWTQO-NWDGAFQWSA-N 1 1 390.163 4.204 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)cs1 ZINC000181036405 821604912 /nfs/dbraw/zinc/60/49/12/821604912.db2.gz FLURLRBDYZTAHE-IBGZPJMESA-N 1 1 377.941 4.106 20 0 GIADMO COC(=O)[C@H](C)C[N@@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C1CC1 ZINC000181065056 821615591 /nfs/dbraw/zinc/61/55/91/821615591.db2.gz HKDAGIDYGUWKFV-OAHLLOKOSA-N 1 1 394.471 4.277 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)CCCn1ccnc1 ZINC000181070885 821618342 /nfs/dbraw/zinc/61/83/42/821618342.db2.gz FZOXEKZCEWWQRU-LBPRGKRZSA-N 1 1 380.279 4.323 20 0 GIADMO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000181109087 821638291 /nfs/dbraw/zinc/63/82/91/821638291.db2.gz SZMDNBBEHRAZIF-ZFWWWQNUSA-N 1 1 394.393 4.279 20 0 GIADMO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000181114388 821641418 /nfs/dbraw/zinc/64/14/18/821641418.db2.gz QPSVBRXXUYGZSQ-KBPBESRZSA-N 1 1 394.393 4.279 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000181119887 821644997 /nfs/dbraw/zinc/64/49/97/821644997.db2.gz JDRIEBMAUFXGIT-UHFFFAOYSA-N 1 1 393.482 4.476 20 0 GIADMO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000181119887 821645001 /nfs/dbraw/zinc/64/50/01/821645001.db2.gz JDRIEBMAUFXGIT-UHFFFAOYSA-N 1 1 393.482 4.476 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000181119887 821645005 /nfs/dbraw/zinc/64/50/05/821645005.db2.gz JDRIEBMAUFXGIT-UHFFFAOYSA-N 1 1 393.482 4.476 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)on1 ZINC000181139358 821658282 /nfs/dbraw/zinc/65/82/82/821658282.db2.gz PMADYTVVJZHRKM-LJQANCHMSA-N 1 1 392.377 4.003 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)on1 ZINC000181139358 821658289 /nfs/dbraw/zinc/65/82/89/821658289.db2.gz PMADYTVVJZHRKM-LJQANCHMSA-N 1 1 392.377 4.003 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)on1 ZINC000181150076 821665089 /nfs/dbraw/zinc/66/50/89/821665089.db2.gz AYQATQWXMOSFGU-AVRDEDQJSA-N 1 1 391.515 4.420 20 0 GIADMO C[C@@H]1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000181152542 821666389 /nfs/dbraw/zinc/66/63/89/821666389.db2.gz XSXAMCWDPRBQTO-LJQANCHMSA-N 1 1 375.516 4.224 20 0 GIADMO CC(=O)N1CCC([NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000181165684 821674521 /nfs/dbraw/zinc/67/45/21/821674521.db2.gz IAUFGTHMVQHNRP-HXUWFJFHSA-N 1 1 378.850 4.308 20 0 GIADMO C[C@H](NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1nccs1 ZINC000181199049 821692436 /nfs/dbraw/zinc/69/24/36/821692436.db2.gz IDRIKUFLVOJFNI-HNNXBMFYSA-N 1 1 398.498 4.025 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC2)[nH+]c1 ZINC000181212212 821699683 /nfs/dbraw/zinc/69/96/83/821699683.db2.gz VWPYDWMPPBZFJQ-OAHLLOKOSA-N 1 1 386.462 4.025 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000181302650 821744569 /nfs/dbraw/zinc/74/45/69/821744569.db2.gz KTUOPLISRIVXNX-WCQYABFASA-N 1 1 379.430 4.361 20 0 GIADMO C[C@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000181376395 821794483 /nfs/dbraw/zinc/79/44/83/821794483.db2.gz AKCAKRYHEYZXTK-NSHDSACASA-N 1 1 381.789 4.185 20 0 GIADMO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1OC(F)F ZINC000181391916 821802810 /nfs/dbraw/zinc/80/28/10/821802810.db2.gz DEUYQJUARKJAEJ-ABAIWWIYSA-N 1 1 386.236 4.435 20 0 GIADMO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](C)c2cccc(Cl)c2)CC1 ZINC000181420856 821817287 /nfs/dbraw/zinc/81/72/87/821817287.db2.gz OANRZILJBFSRHY-GOSISDBHSA-N 1 1 399.966 4.080 20 0 GIADMO Cc1ccc([C@H]([NH2+][C@@H](C)c2cccnc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181428225 821821685 /nfs/dbraw/zinc/82/16/85/821821685.db2.gz BYBKHOAHVZLIQJ-JTSKRJEESA-N 1 1 380.513 4.234 20 0 GIADMO C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181429356 821822151 /nfs/dbraw/zinc/82/21/51/821822151.db2.gz JNFFREBOEMPRFU-RDJZCZTQSA-N 1 1 376.928 4.072 20 0 GIADMO COc1ccc(-c2ncc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)s2)cc1 ZINC000181433582 821825425 /nfs/dbraw/zinc/82/54/25/821825425.db2.gz UHNNQAAWJIOJER-DOTOQJQBSA-N 1 1 399.560 4.202 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181458054 821834895 /nfs/dbraw/zinc/83/48/95/821834895.db2.gz CVHQWNSXZCMKBQ-WQGACYEGSA-N 1 1 392.849 4.169 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)o2)cc1 ZINC000181459247 821835357 /nfs/dbraw/zinc/83/53/57/821835357.db2.gz PDTONNBMSOKMAD-ICSRJNTNSA-N 1 1 395.547 4.352 20 0 GIADMO C[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181461292 821836986 /nfs/dbraw/zinc/83/69/86/821836986.db2.gz WWSJKFIMKKBHFA-WBVHZDCISA-N 1 1 398.469 4.287 20 0 GIADMO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181480436 821844930 /nfs/dbraw/zinc/84/49/30/821844930.db2.gz UEECKYFHMAYCDV-HDEZJCGLSA-N 1 1 378.919 4.352 20 0 GIADMO C[C@@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181492937 821851931 /nfs/dbraw/zinc/85/19/31/821851931.db2.gz XMXORFXYLSCTFR-ZIAGYGMSSA-N 1 1 391.462 4.152 20 0 GIADMO CC[C@H](SC)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181496877 821853697 /nfs/dbraw/zinc/85/36/97/821853697.db2.gz UURNATOHJLBQCM-INIZCTEOSA-N 1 1 375.365 4.216 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(C(F)(F)F)cc1 ZINC000181507245 821859013 /nfs/dbraw/zinc/85/90/13/821859013.db2.gz SYYMCSSXOCBLTC-GOSISDBHSA-N 1 1 399.482 4.280 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1cccc(O)c1 ZINC000181511974 821861488 /nfs/dbraw/zinc/86/14/88/821861488.db2.gz UIPCBOKMFVCMAQ-KSSFIOAISA-N 1 1 395.484 4.075 20 0 GIADMO CCCc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000181518409 821864181 /nfs/dbraw/zinc/86/41/81/821864181.db2.gz BJRLUBXNTAGHHJ-RXVVDRJESA-N 1 1 384.564 4.371 20 0 GIADMO Cc1c(Br)cccc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181530892 821868457 /nfs/dbraw/zinc/86/84/57/821868457.db2.gz MJHZVKVBAUVFTJ-LSDHHAIUSA-N 1 1 379.342 4.140 20 0 GIADMO O=C(NCc1ccco1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181531492 821868924 /nfs/dbraw/zinc/86/89/24/821868924.db2.gz FXHDJEVBFHHBIE-UHFFFAOYSA-N 1 1 382.291 4.050 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000181536809 821871804 /nfs/dbraw/zinc/87/18/04/821871804.db2.gz WALHOHQOSXSKRX-LRDDRELGSA-N 1 1 395.425 4.081 20 0 GIADMO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000181542768 821874419 /nfs/dbraw/zinc/87/44/19/821874419.db2.gz YIRGAVWDKYDXDH-UHFFFAOYSA-N 1 1 387.455 4.104 20 0 GIADMO Cc1cc(C(=O)CCC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000181543411 821874725 /nfs/dbraw/zinc/87/47/25/821874725.db2.gz RCVCYIVFTLEJEH-NVXWUHKLSA-N 1 1 376.566 4.097 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1cccc(O)c1 ZINC000181562908 821882115 /nfs/dbraw/zinc/88/21/15/821882115.db2.gz GGIRTGBWTWJMTF-KSSFIOAISA-N 1 1 395.484 4.075 20 0 GIADMO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(Br)ccc1F ZINC000181580767 821888250 /nfs/dbraw/zinc/88/82/50/821888250.db2.gz LIYVTKROKQBGRZ-MRVPVSSYSA-N 1 1 380.183 4.191 20 0 GIADMO COc1ccc([C@H](NC(=O)C[NH2+][C@@H](c2nc(C)cs2)C2CC2)C(C)C)cc1 ZINC000181592865 821894706 /nfs/dbraw/zinc/89/47/06/821894706.db2.gz OOXSRLNYJMWZTM-WOJBJXKFSA-N 1 1 387.549 4.014 20 0 GIADMO C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181633455 821914340 /nfs/dbraw/zinc/91/43/40/821914340.db2.gz CAFMFYLJBYEIOH-IEBWSBKVSA-N 1 1 392.547 4.133 20 0 GIADMO C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181635881 821915825 /nfs/dbraw/zinc/91/58/25/821915825.db2.gz JHGNYKBUOBDWSO-JKSUJKDBSA-N 1 1 376.491 4.156 20 0 GIADMO COCCCN1CCC([NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)CC1 ZINC000181660342 821928363 /nfs/dbraw/zinc/92/83/63/821928363.db2.gz BBUMKYGTOMAHRV-AWEZNQCLSA-N 1 1 395.341 4.347 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)c1ccc(C)cc1 ZINC000181677958 821939265 /nfs/dbraw/zinc/93/92/65/821939265.db2.gz CHPAIISJBXXULX-GOSISDBHSA-N 1 1 382.533 4.070 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc1OC ZINC000181686167 821943828 /nfs/dbraw/zinc/94/38/28/821943828.db2.gz HQHAVBVWKLJOIR-AWEZNQCLSA-N 1 1 382.485 4.456 20 0 GIADMO C[N@@H+](CCc1ccc(Br)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181694696 821947191 /nfs/dbraw/zinc/94/71/91/821947191.db2.gz XICFBYXUOLRAMU-UHFFFAOYSA-N 1 1 395.385 4.208 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+](Cc2ccccc2)CC2CCOCC2)CC1 ZINC000181697737 821948372 /nfs/dbraw/zinc/94/83/72/821948372.db2.gz YLIOKRKEYBWXIJ-UHFFFAOYSA-N 1 1 386.580 4.200 20 0 GIADMO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000181715908 821958458 /nfs/dbraw/zinc/95/84/58/821958458.db2.gz SJIOTUKWZBUDIV-MRXNPFEDSA-N 1 1 385.533 4.487 20 0 GIADMO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000181718862 821959716 /nfs/dbraw/zinc/95/97/16/821959716.db2.gz RIHDUHTZXUONGG-SFHVURJKSA-N 1 1 385.533 4.422 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)C1 ZINC000181722237 821961461 /nfs/dbraw/zinc/96/14/61/821961461.db2.gz CFYWQAFLURLHLH-HOTGVXAUSA-N 1 1 385.474 4.010 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181723425 821962018 /nfs/dbraw/zinc/96/20/18/821962018.db2.gz KETCDIOOGCJTAL-PIGZYNQJSA-N 1 1 387.332 4.443 20 0 GIADMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181739200 821970256 /nfs/dbraw/zinc/97/02/56/821970256.db2.gz BMWBCBWKASEZCD-OAQYLSRUSA-N 1 1 396.579 4.478 20 0 GIADMO CCCCC[C@@H]([NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccccc1 ZINC000181744999 821973257 /nfs/dbraw/zinc/97/32/57/821973257.db2.gz BVMRCFGWZXHZCG-GOSISDBHSA-N 1 1 395.503 4.352 20 0 GIADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000181763723 821981694 /nfs/dbraw/zinc/98/16/94/821981694.db2.gz SZFZPXBRQYVEMV-RBUKOAKNSA-N 1 1 380.492 4.273 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1cccc(N2CCCC2=O)c1 ZINC000181765228 821983276 /nfs/dbraw/zinc/98/32/76/821983276.db2.gz UPTXXGAIPJIDEG-OAHLLOKOSA-N 1 1 396.441 4.128 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](CC(C)C)c3ccccc3)nc2c1 ZINC000181795889 821995663 /nfs/dbraw/zinc/99/56/63/821995663.db2.gz IBUHYWQBIWOBGG-GOSISDBHSA-N 1 1 386.517 4.498 20 0 GIADMO CC(C)OC(=O)C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1 ZINC000181819036 822005352 /nfs/dbraw/zinc/00/53/52/822005352.db2.gz KEEIYFUWHXSVHQ-KRWDZBQOSA-N 1 1 385.895 4.399 20 0 GIADMO Cc1cc(C)c(NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c(C)c1 ZINC000181822658 822006711 /nfs/dbraw/zinc/00/67/11/822006711.db2.gz YERDQJHJQHYDIN-HXUWFJFHSA-N 1 1 382.504 4.223 20 0 GIADMO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181827032 822008801 /nfs/dbraw/zinc/00/88/01/822008801.db2.gz NMVRXURZDRANKC-GOSISDBHSA-N 1 1 388.895 4.260 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(OC)cc1 ZINC000181843728 822015059 /nfs/dbraw/zinc/01/50/59/822015059.db2.gz MKJXERTVOUHKFK-LJQANCHMSA-N 1 1 381.501 4.159 20 0 GIADMO CCC[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC000181864683 822020593 /nfs/dbraw/zinc/02/05/93/822020593.db2.gz REAHUZPLWCFKGK-INIZCTEOSA-N 1 1 399.482 4.424 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccc(-n2cncn2)cc1 ZINC000181899799 822031251 /nfs/dbraw/zinc/03/12/51/822031251.db2.gz ALCBLKBTIHLANB-CYBMUJFWSA-N 1 1 381.386 4.051 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)n2)ccc1F ZINC000181908852 822034135 /nfs/dbraw/zinc/03/41/35/822034135.db2.gz AROQCGDPFJVPBD-LSDHHAIUSA-N 1 1 392.438 4.177 20 0 GIADMO COc1ccc(C[C@@H](C)C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000181986058 822053778 /nfs/dbraw/zinc/05/37/78/822053778.db2.gz KKSDUFJQMJFRJU-GOSISDBHSA-N 1 1 398.547 4.039 20 0 GIADMO Cc1cccc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C(C)C)n2)c1 ZINC000181988012 822054445 /nfs/dbraw/zinc/05/44/45/822054445.db2.gz LNDJKZPGFWARTD-OAQYLSRUSA-N 1 1 379.460 4.303 20 0 GIADMO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(F)c2F)c(Br)c1 ZINC000181987948 822054660 /nfs/dbraw/zinc/05/46/60/822054660.db2.gz CEBKPFZEPOIEEU-LLVKDONJSA-N 1 1 383.236 4.325 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CC=C(c4ccc(O)cc4)CC3)co2)cc1 ZINC000182019776 822064520 /nfs/dbraw/zinc/06/45/20/822064520.db2.gz HYWZSWCPSQMXNS-UHFFFAOYSA-N 1 1 390.439 4.123 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CC=C(c4ccc(O)cc4)CC3)co2)cc1 ZINC000182019776 822064530 /nfs/dbraw/zinc/06/45/30/822064530.db2.gz HYWZSWCPSQMXNS-UHFFFAOYSA-N 1 1 390.439 4.123 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NC[C@]3(C)CCCc4ccccc43)CC2)[nH+]c1 ZINC000182033927 822069008 /nfs/dbraw/zinc/06/90/08/822069008.db2.gz RVWQMJNHQSGDLL-DEOSSOPVSA-N 1 1 377.532 4.017 20 0 GIADMO CCC[C@@H]1CN(C(=O)c2csc([C@@H]3CCCO3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000182060036 822077755 /nfs/dbraw/zinc/07/77/55/822077755.db2.gz VWSCKAOILDQAFS-QUCCMNQESA-N 1 1 399.560 4.121 20 0 GIADMO CCC[C@@H]1CN(C(=O)c2csc([C@@H]3CCCO3)n2)CC[N@H+]1Cc1ccccc1 ZINC000182060036 822077763 /nfs/dbraw/zinc/07/77/63/822077763.db2.gz VWSCKAOILDQAFS-QUCCMNQESA-N 1 1 399.560 4.121 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1occc1COc1ccccc1 ZINC000182097556 822092561 /nfs/dbraw/zinc/09/25/61/822092561.db2.gz QDOAUEUFIHKJFE-GOSISDBHSA-N 1 1 378.472 4.109 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000182200316 822144071 /nfs/dbraw/zinc/14/40/71/822144071.db2.gz GXGNZHXMWQLTGP-UHFFFAOYSA-N 1 1 391.456 4.040 20 0 GIADMO CC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)[C@@H](C)c1cccc(O)c1 ZINC000182216799 822152092 /nfs/dbraw/zinc/15/20/92/822152092.db2.gz CITSUZOJMNSEAJ-HNNXBMFYSA-N 1 1 380.444 4.417 20 0 GIADMO CC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)[C@@H](C)c1cccc(O)c1 ZINC000182216799 822152097 /nfs/dbraw/zinc/15/20/97/822152097.db2.gz CITSUZOJMNSEAJ-HNNXBMFYSA-N 1 1 380.444 4.417 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccc(C)n3)co2)cc1 ZINC000182237219 822160463 /nfs/dbraw/zinc/16/04/63/822160463.db2.gz RGZROPAXYUSLRV-FQEVSTJZSA-N 1 1 377.444 4.169 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cccc(C)n3)co2)cc1 ZINC000182237219 822160472 /nfs/dbraw/zinc/16/04/72/822160472.db2.gz RGZROPAXYUSLRV-FQEVSTJZSA-N 1 1 377.444 4.169 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000182243351 822164220 /nfs/dbraw/zinc/16/42/20/822164220.db2.gz QEHKIWGTKRFSAA-XMSQKQJNSA-N 1 1 375.516 4.042 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000182243351 822164226 /nfs/dbraw/zinc/16/42/26/822164226.db2.gz QEHKIWGTKRFSAA-XMSQKQJNSA-N 1 1 375.516 4.042 20 0 GIADMO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)o1 ZINC000182266721 822178397 /nfs/dbraw/zinc/17/83/97/822178397.db2.gz FGFCNFPNWRQAFK-AVRDEDQJSA-N 1 1 376.500 4.364 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)o1 ZINC000182266721 822178404 /nfs/dbraw/zinc/17/84/04/822178404.db2.gz FGFCNFPNWRQAFK-AVRDEDQJSA-N 1 1 376.500 4.364 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)cs2)cc1OC ZINC000182278666 822183747 /nfs/dbraw/zinc/18/37/47/822183747.db2.gz MTIPYVZUMSTBHP-CYBMUJFWSA-N 1 1 398.484 4.407 20 0 GIADMO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000182307993 822197131 /nfs/dbraw/zinc/19/71/31/822197131.db2.gz AHRPXQWLMCUDJI-HOTGVXAUSA-N 1 1 381.701 4.370 20 0 GIADMO Cc1ccccc1-n1nccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000182327265 822203722 /nfs/dbraw/zinc/20/37/22/822203722.db2.gz RKXZSDRVMDPJOJ-VQTJNVASSA-N 1 1 395.551 4.299 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355058 822212809 /nfs/dbraw/zinc/21/28/09/822212809.db2.gz KWIDZBNWBMDFLK-OCCSQVGLSA-N 1 1 383.876 4.126 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355058 822212817 /nfs/dbraw/zinc/21/28/17/822212817.db2.gz KWIDZBNWBMDFLK-OCCSQVGLSA-N 1 1 383.876 4.126 20 0 GIADMO CC(C)[C@H](NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc2ccccc2[nH]1 ZINC000182354758 822212836 /nfs/dbraw/zinc/21/28/36/822212836.db2.gz IRVDVMOFFFEDFR-LZJOCLMNSA-N 1 1 397.567 4.212 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccccc2F)n1)[C@@H]1CCCO1 ZINC000182361429 822215328 /nfs/dbraw/zinc/21/53/28/822215328.db2.gz FTTHADZWNOYCAH-WMZOPIPTSA-N 1 1 377.485 4.014 20 0 GIADMO COc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1Br ZINC000182421376 822236874 /nfs/dbraw/zinc/23/68/74/822236874.db2.gz KSXINOQPSRYBTF-KSSFIOAISA-N 1 1 390.325 4.175 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1c(C)noc1C ZINC000182428226 822239642 /nfs/dbraw/zinc/23/96/42/822239642.db2.gz JQLBPEQMMXAXMW-GFCCVEGCSA-N 1 1 376.507 4.156 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000182457989 822250117 /nfs/dbraw/zinc/25/01/17/822250117.db2.gz QGLKQCQGBTZZGI-WIYYLYMNSA-N 1 1 399.485 4.180 20 0 GIADMO COc1cc(OC)c([C@@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1Cl ZINC000177948204 822254051 /nfs/dbraw/zinc/25/40/51/822254051.db2.gz WSVAGJRXKWFOAM-OAHLLOKOSA-N 1 1 385.895 4.453 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)CC[C@@H]21 ZINC000177961563 822258508 /nfs/dbraw/zinc/25/85/08/822258508.db2.gz XCNQCCVWPSYHBM-HJNYFJLDSA-N 1 1 381.495 4.041 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(F)cc1Br ZINC000177963893 822259771 /nfs/dbraw/zinc/25/97/71/822259771.db2.gz QZQIJQGGFHZKJD-CQSZACIVSA-N 1 1 393.300 4.276 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1c(C)noc1C ZINC000182482449 822260244 /nfs/dbraw/zinc/26/02/44/822260244.db2.gz HRANVHXZQJUEDY-VXNVDRBHSA-N 1 1 391.340 4.055 20 0 GIADMO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)s2)cc1 ZINC000182485170 822261397 /nfs/dbraw/zinc/26/13/97/822261397.db2.gz NLWGGYXMQIWJOD-NRFANRHFSA-N 1 1 382.533 4.421 20 0 GIADMO CCOc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCc3ccccc3)CC1)CCO2 ZINC000177968994 822261865 /nfs/dbraw/zinc/26/18/65/822261865.db2.gz GKZXVHMWULZUQS-HSZRJFAPSA-N 1 1 380.532 4.206 20 0 GIADMO COCc1cc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)ccc1OC ZINC000177969502 822262016 /nfs/dbraw/zinc/26/20/16/822262016.db2.gz YACOTSNMQMXGNK-LJQANCHMSA-N 1 1 382.548 4.199 20 0 GIADMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1OC(F)F ZINC000177969034 822262257 /nfs/dbraw/zinc/26/22/57/822262257.db2.gz ALHMYLNSCSYNAP-LBPRGKRZSA-N 1 1 389.851 4.066 20 0 GIADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000177985967 822269652 /nfs/dbraw/zinc/26/96/52/822269652.db2.gz LRYKGJCBEQXJQK-SNVBAGLBSA-N 1 1 392.700 4.047 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1c(C)noc1C ZINC000182499720 822269800 /nfs/dbraw/zinc/26/98/00/822269800.db2.gz MHYIGYVODPXPFV-QGZVFWFLSA-N 1 1 399.491 4.402 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)sc1C ZINC000178000975 822277271 /nfs/dbraw/zinc/27/72/71/822277271.db2.gz JWTXSCNPGMSVHE-CYBMUJFWSA-N 1 1 395.454 4.201 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000182545020 822294459 /nfs/dbraw/zinc/29/44/59/822294459.db2.gz KGTTXRPQKFVWPV-GOSISDBHSA-N 1 1 398.551 4.082 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)c1 ZINC000182549909 822296845 /nfs/dbraw/zinc/29/68/45/822296845.db2.gz NEMHVAOGJRAWMW-NSHDSACASA-N 1 1 377.275 4.450 20 0 GIADMO Clc1sc(Cl)c2c1CCC[C@@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000178048590 822299552 /nfs/dbraw/zinc/29/95/52/822299552.db2.gz UPPGWKBVDAXYRU-LBPRGKRZSA-N 1 1 380.304 4.198 20 0 GIADMO Clc1sc(Cl)c2c1CCC[C@H]2[NH2+]Cc1cccnc1-n1cncn1 ZINC000178048580 822299776 /nfs/dbraw/zinc/29/97/76/822299776.db2.gz UPPGWKBVDAXYRU-GFCCVEGCSA-N 1 1 380.304 4.198 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1)c1ccccc1 ZINC000178057227 822304017 /nfs/dbraw/zinc/30/40/17/822304017.db2.gz OXHPEYCDLMRUSQ-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1)c1ccccc1 ZINC000178057227 822304025 /nfs/dbraw/zinc/30/40/25/822304025.db2.gz OXHPEYCDLMRUSQ-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(S(=O)(=O)C4CCCC4)cc3)cn21 ZINC000178062647 822305532 /nfs/dbraw/zinc/30/55/32/822305532.db2.gz UWGGLVFRDVNDFX-QGZVFWFLSA-N 1 1 397.544 4.210 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cc2nc3c(cccc3F)n2CC)CC1 ZINC000182566536 822306019 /nfs/dbraw/zinc/30/60/19/822306019.db2.gz XMBKUSOBFMKOCK-UHFFFAOYSA-N 1 1 388.531 4.056 20 0 GIADMO Cc1cccc([C@@H](O)CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c1 ZINC000178066654 822307056 /nfs/dbraw/zinc/30/70/56/822307056.db2.gz SUBPXMGRIDXOGM-DEOSSOPVSA-N 1 1 388.511 4.090 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000182572362 822308124 /nfs/dbraw/zinc/30/81/24/822308124.db2.gz QOBPYSZGKYOVEH-UHFFFAOYSA-N 1 1 375.538 4.264 20 0 GIADMO Clc1ccc(C[C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccccc2)cc1 ZINC000178075867 822310507 /nfs/dbraw/zinc/31/05/07/822310507.db2.gz VQRVWMSZGVSDIP-OAQYLSRUSA-N 1 1 389.890 4.389 20 0 GIADMO CC[C@H](C)[N@@H+](CCCc1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000182615317 822323946 /nfs/dbraw/zinc/32/39/46/822323946.db2.gz ZDUGJZQQTCVGHL-KRWDZBQOSA-N 1 1 379.504 4.165 20 0 GIADMO O=C(Nc1cccc(OCc2ccccn2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178120041 822325579 /nfs/dbraw/zinc/32/55/79/822325579.db2.gz DKNRNKTXUGGMBH-SFHVURJKSA-N 1 1 379.504 4.254 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1CN1CCCCC1 ZINC000182629136 822330071 /nfs/dbraw/zinc/33/00/71/822330071.db2.gz NYFLQFVXMMBCEI-VGOFRKELSA-N 1 1 386.511 4.204 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1CN1CCCCC1 ZINC000182629103 822330158 /nfs/dbraw/zinc/33/01/58/822330158.db2.gz NYFLQFVXMMBCEI-VGSWGCGISA-N 1 1 386.511 4.204 20 0 GIADMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000182649488 822338795 /nfs/dbraw/zinc/33/87/95/822338795.db2.gz MMCCQTVFUZCPLZ-KRWDZBQOSA-N 1 1 387.549 4.468 20 0 GIADMO C[N@@H+](CCCn1ccnc1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000182671297 822346050 /nfs/dbraw/zinc/34/60/50/822346050.db2.gz GKKYNSMLDLMTTJ-UHFFFAOYSA-N 1 1 377.517 4.319 20 0 GIADMO FC(F)Oc1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000182684603 822350558 /nfs/dbraw/zinc/35/05/58/822350558.db2.gz QQVQRPBVXBJSLZ-UHFFFAOYSA-N 1 1 377.616 4.389 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OCc2ccc(F)cc2)cc1)c1nnc2ccccn21 ZINC000182718527 822357487 /nfs/dbraw/zinc/35/74/87/822357487.db2.gz MWDBHFTZOTVTMG-MRXNPFEDSA-N 1 1 376.435 4.298 20 0 GIADMO O=C(CCc1ccc(Cl)s1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000045033783 822358570 /nfs/dbraw/zinc/35/85/70/822358570.db2.gz PUGUTGYAOZUSQR-UHFFFAOYSA-N 1 1 380.916 4.208 20 0 GIADMO O=C(CCc1ccc(Cl)s1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000045033783 822358574 /nfs/dbraw/zinc/35/85/74/822358574.db2.gz PUGUTGYAOZUSQR-UHFFFAOYSA-N 1 1 380.916 4.208 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000178263116 822360521 /nfs/dbraw/zinc/36/05/21/822360521.db2.gz PTLHIVQPCGNXFP-KDURUIRLSA-N 1 1 395.547 4.033 20 0 GIADMO COC[C@@H]([NH2+]Cc1ccc(OC)cc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000182761118 822363598 /nfs/dbraw/zinc/36/35/98/822363598.db2.gz CFYIOMICRWCMLX-QGZVFWFLSA-N 1 1 375.337 4.470 20 0 GIADMO C[C@@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182768624 822364753 /nfs/dbraw/zinc/36/47/53/822364753.db2.gz RZHUIYHMUHOWSL-XZYOPWHXSA-N 1 1 399.579 4.107 20 0 GIADMO CC[N@H+](c1ccc(N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1)C(C)C ZINC000182773306 822365351 /nfs/dbraw/zinc/36/53/51/822365351.db2.gz HDFWTCAXAQWJTC-INIZCTEOSA-N 1 1 375.538 4.003 20 0 GIADMO CC[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000178309627 822366020 /nfs/dbraw/zinc/36/60/20/822366020.db2.gz YKKIZVUGZHXEEX-JSGCOSHPSA-N 1 1 389.487 4.384 20 0 GIADMO CCN(C(=O)Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC000182806187 822370804 /nfs/dbraw/zinc/37/08/04/822370804.db2.gz DFCALTWUYILRIV-FYYLOGMGSA-N 1 1 377.532 4.321 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)C)CC1 ZINC000453482888 822376288 /nfs/dbraw/zinc/37/62/88/822376288.db2.gz SBDUYZUULKNWDD-FQEVSTJZSA-N 1 1 391.604 4.124 20 0 GIADMO C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)Cc1ccc([S@](C)=O)cc1 ZINC000178409837 822376782 /nfs/dbraw/zinc/37/67/82/822376782.db2.gz NNHYOZZQZBNPDI-SANMLTNESA-N 1 1 385.451 4.344 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)C1 ZINC000045299742 822377590 /nfs/dbraw/zinc/37/75/90/822377590.db2.gz ZIMRKIIDDDFLRR-UXLLHSPISA-N 1 1 387.574 4.465 20 0 GIADMO O=C(Nc1ccc(SC(F)F)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178426386 822377963 /nfs/dbraw/zinc/37/79/63/822377963.db2.gz PURKQXGAAKARTI-CXAGYDPISA-N 1 1 381.492 4.482 20 0 GIADMO O=C(Nc1ccccc1OC1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178442739 822379288 /nfs/dbraw/zinc/37/92/88/822379288.db2.gz IJLFNUVHSHNVGC-UTKZUKDTSA-N 1 1 383.536 4.489 20 0 GIADMO C[C@@H](NC(=O)Nc1nnc(-c2ccsc2)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182860694 822381040 /nfs/dbraw/zinc/38/10/40/822381040.db2.gz FZYAOUMJTDKLEO-OLZOCXBDSA-N 1 1 391.566 4.041 20 0 GIADMO C[C@@H](NC(=O)N(C)CCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867891 822382445 /nfs/dbraw/zinc/38/24/45/822382445.db2.gz YOYHYXOZCARNJN-AEFFLSMTSA-N 1 1 377.960 4.177 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccc2c(c1)OCCO2 ZINC000178479818 822383548 /nfs/dbraw/zinc/38/35/48/822383548.db2.gz RVSPPHYJSUFUQK-IFXJQAMLSA-N 1 1 396.466 4.288 20 0 GIADMO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000182876392 822384221 /nfs/dbraw/zinc/38/42/21/822384221.db2.gz KFTTYYZMSKATHG-GOSISDBHSA-N 1 1 380.540 4.244 20 0 GIADMO CC(C)Cn1ncnc1C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000182876392 822384226 /nfs/dbraw/zinc/38/42/26/822384226.db2.gz KFTTYYZMSKATHG-GOSISDBHSA-N 1 1 380.540 4.244 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@H](C)c3cc(C)cc(C)c3)n2)cc(OC)c1OC ZINC000182886208 822385913 /nfs/dbraw/zinc/38/59/13/822385913.db2.gz SWQMIHJPIJAHJC-OAHLLOKOSA-N 1 1 397.475 4.230 20 0 GIADMO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c2cccnc12 ZINC000182889248 822386795 /nfs/dbraw/zinc/38/67/95/822386795.db2.gz QJNMEGIOISTVLS-JKSUJKDBSA-N 1 1 382.508 4.018 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182893367 822387377 /nfs/dbraw/zinc/38/73/77/822387377.db2.gz ABGVURVCSJJKPQ-RDJZCZTQSA-N 1 1 397.485 4.500 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182893351 822387458 /nfs/dbraw/zinc/38/74/58/822387458.db2.gz ABGVURVCSJJKPQ-NVXWUHKLSA-N 1 1 397.485 4.500 20 0 GIADMO C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182896477 822388060 /nfs/dbraw/zinc/38/80/60/822388060.db2.gz VEXZBABMFZMDPB-GDBMZVCRSA-N 1 1 375.479 4.013 20 0 GIADMO C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898602 822388702 /nfs/dbraw/zinc/38/87/02/822388702.db2.gz KOLSFXPRERSZPR-VXGBXAGGSA-N 1 1 389.849 4.137 20 0 GIADMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000045469205 822389181 /nfs/dbraw/zinc/38/91/81/822389181.db2.gz OABDQWCZLYNUOG-UHFFFAOYSA-N 1 1 381.520 4.064 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000045469205 822389185 /nfs/dbraw/zinc/38/91/85/822389185.db2.gz OABDQWCZLYNUOG-UHFFFAOYSA-N 1 1 381.520 4.064 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]CCc2ccc(C)cn2)cs1)c1ccc(C)cc1 ZINC000453593555 822390050 /nfs/dbraw/zinc/39/00/50/822390050.db2.gz ARXQCBQFZPCMMF-UHFFFAOYSA-N 1 1 380.517 4.172 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182910857 822391081 /nfs/dbraw/zinc/39/10/81/822391081.db2.gz UATHESBAWBUUCB-VQTJNVASSA-N 1 1 398.595 4.081 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1ccccc1N1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182910921 822391150 /nfs/dbraw/zinc/39/11/50/822391150.db2.gz UATHESBAWBUUCB-UXHICEINSA-N 1 1 398.595 4.081 20 0 GIADMO C[C@H](NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182912532 822391594 /nfs/dbraw/zinc/39/15/94/822391594.db2.gz MFFTXEUWZYWALU-JKSUJKDBSA-N 1 1 398.526 4.028 20 0 GIADMO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178592139 822394691 /nfs/dbraw/zinc/39/46/91/822394691.db2.gz OZHLQIDWHBBXGP-HRQSHJORSA-N 1 1 398.572 4.086 20 0 GIADMO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178592139 822394696 /nfs/dbraw/zinc/39/46/96/822394696.db2.gz OZHLQIDWHBBXGP-HRQSHJORSA-N 1 1 398.572 4.086 20 0 GIADMO C[C@@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182950082 822398568 /nfs/dbraw/zinc/39/85/68/822398568.db2.gz DIOQALTVRANOMY-CVEARBPZSA-N 1 1 375.944 4.281 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(Cc3csc(COc4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000178640087 822398754 /nfs/dbraw/zinc/39/87/54/822398754.db2.gz DDDUVQXDCJDTHT-KXBFYZLASA-N 1 1 391.968 4.292 20 0 GIADMO Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182965499 822400939 /nfs/dbraw/zinc/40/09/39/822400939.db2.gz NUIGVBYQMFEFCZ-PMOQBDJRSA-N 1 1 397.563 4.179 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2Br)cc1NC(C)=O ZINC000178708470 822404670 /nfs/dbraw/zinc/40/46/70/822404670.db2.gz CDAPWEJTRJQJGT-NSHDSACASA-N 1 1 395.272 4.406 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccc(Br)s2)nnn1-c1ccc(F)cc1 ZINC000178713653 822405055 /nfs/dbraw/zinc/40/50/55/822405055.db2.gz UXSPISIUSTXLDU-SNVBAGLBSA-N 1 1 395.301 4.390 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182994005 822407285 /nfs/dbraw/zinc/40/72/85/822407285.db2.gz XTEYZYKRWTWTSE-QRWLVFNGSA-N 1 1 396.547 4.469 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000182994005 822407288 /nfs/dbraw/zinc/40/72/88/822407288.db2.gz XTEYZYKRWTWTSE-QRWLVFNGSA-N 1 1 396.547 4.469 20 0 GIADMO Cc1ccc2nc(-c3ccc(NC(=O)C[N@@H+](C)C[C@H]4CCOC4)cc3)sc2c1 ZINC000178763775 822408098 /nfs/dbraw/zinc/40/80/98/822408098.db2.gz CORISQISUJZPIZ-MRXNPFEDSA-N 1 1 395.528 4.179 20 0 GIADMO CC(C)CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1CC1 ZINC000045751772 822410389 /nfs/dbraw/zinc/41/03/89/822410389.db2.gz MDZVLPPCJCXAMG-FQEVSTJZSA-N 1 1 386.536 4.022 20 0 GIADMO COc1ccc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000045779294 822412638 /nfs/dbraw/zinc/41/26/38/822412638.db2.gz VWEHKPYEBJHYEZ-LJQANCHMSA-N 1 1 395.547 4.411 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2ccc(O)cc2C1 ZINC000045780800 822412977 /nfs/dbraw/zinc/41/29/77/822412977.db2.gz GSZKXOGXBZWTKF-GOSISDBHSA-N 1 1 393.531 4.035 20 0 GIADMO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000045780651 822413079 /nfs/dbraw/zinc/41/30/79/822413079.db2.gz SWOLIZAMOHUIAH-HTAPYJJXSA-N 1 1 396.535 4.404 20 0 GIADMO CSc1ccccc1C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000178816726 822413303 /nfs/dbraw/zinc/41/33/03/822413303.db2.gz WSNQSPJKCFINOG-SFHVURJKSA-N 1 1 392.528 4.304 20 0 GIADMO COc1cccc(CN(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000045786644 822413425 /nfs/dbraw/zinc/41/34/25/822413425.db2.gz ZYQUPDREMCICDN-IBGZPJMESA-N 1 1 395.547 4.269 20 0 GIADMO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000045786615 822413508 /nfs/dbraw/zinc/41/35/08/822413508.db2.gz YDGLXJCSVQJGHN-LJQANCHMSA-N 1 1 380.536 4.045 20 0 GIADMO CC[C@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nccs1 ZINC000183028677 822414092 /nfs/dbraw/zinc/41/40/92/822414092.db2.gz VUUCKYQEYNSTNN-HOTGVXAUSA-N 1 1 397.466 4.394 20 0 GIADMO Cc1cccnc1NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000178834585 822415020 /nfs/dbraw/zinc/41/50/20/822415020.db2.gz AVQFJWDJZLXFKK-UHFFFAOYSA-N 1 1 384.483 4.310 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000178854305 822416746 /nfs/dbraw/zinc/41/67/46/822416746.db2.gz WBQLAHOYWQRISX-JKSUJKDBSA-N 1 1 380.916 4.031 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000178854305 822416749 /nfs/dbraw/zinc/41/67/49/822416749.db2.gz WBQLAHOYWQRISX-JKSUJKDBSA-N 1 1 380.916 4.031 20 0 GIADMO C[S@@](=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 ZINC000183070832 822420488 /nfs/dbraw/zinc/42/04/88/822420488.db2.gz NRJJEPRUWFCWQV-SKCUWOTOSA-N 1 1 392.524 4.002 20 0 GIADMO CC[C@H](NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CCCC1 ZINC000454020765 822422830 /nfs/dbraw/zinc/42/28/30/822422830.db2.gz GFBPZJOAHDAYFX-FQEVSTJZSA-N 1 1 396.535 4.078 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2OC)cc1 ZINC000183089277 822423399 /nfs/dbraw/zinc/42/33/99/822423399.db2.gz MPLBGGGDRZAYPY-UHFFFAOYSA-N 1 1 395.524 4.446 20 0 GIADMO CC(=O)OC1CC[NH+](Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000178977802 822425905 /nfs/dbraw/zinc/42/59/05/822425905.db2.gz BWARVQSRUCFUJS-UHFFFAOYSA-N 1 1 395.322 4.100 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000178990468 822427091 /nfs/dbraw/zinc/42/70/91/822427091.db2.gz PPWWIOMFBRXFAL-PXNSSMCTSA-N 1 1 399.535 4.123 20 0 GIADMO C[C@H]([NH2+]Cc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000179008199 822429223 /nfs/dbraw/zinc/42/92/23/822429223.db2.gz WZGPGXSTOVOMLR-LBPRGKRZSA-N 1 1 387.332 4.095 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000045980283 822429378 /nfs/dbraw/zinc/42/93/78/822429378.db2.gz YCCGVZQBPGNAGD-QGZVFWFLSA-N 1 1 394.519 4.341 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000454128090 822431905 /nfs/dbraw/zinc/43/19/05/822431905.db2.gz AXGXOCOWYLRMPT-HSZRJFAPSA-N 1 1 379.504 4.215 20 0 GIADMO CN(C)c1cccc(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)n1 ZINC000179034258 822432052 /nfs/dbraw/zinc/43/20/52/822432052.db2.gz QSHSGLQJTXXVBF-UHFFFAOYSA-N 1 1 382.895 4.065 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000046008499 822433988 /nfs/dbraw/zinc/43/39/88/822433988.db2.gz IGNKKTVNJWSMOI-OAHLLOKOSA-N 1 1 387.446 4.261 20 0 GIADMO Cc1cc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000183165043 822434063 /nfs/dbraw/zinc/43/40/63/822434063.db2.gz QEHDUCHWTXOVSU-HRFSGMKKSA-N 1 1 399.947 4.315 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(F)c1 ZINC000183172728 822435516 /nfs/dbraw/zinc/43/55/16/822435516.db2.gz GUDREJPFXMSKHK-CYBMUJFWSA-N 1 1 398.404 4.014 20 0 GIADMO COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1C[NH+]1CCCCC1 ZINC000183179824 822436553 /nfs/dbraw/zinc/43/65/53/822436553.db2.gz SWNOYDQLTWPDTM-KRWDZBQOSA-N 1 1 383.492 4.440 20 0 GIADMO FC(F)(F)c1csc([C@@H]2CCC[N@H+](Cc3nnc(-c4ccco4)o3)C2)n1 ZINC000179094414 822437435 /nfs/dbraw/zinc/43/74/35/822437435.db2.gz ICZDAMFACJPWKE-SNVBAGLBSA-N 1 1 384.383 4.185 20 0 GIADMO FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)n1 ZINC000179094414 822437437 /nfs/dbraw/zinc/43/74/37/822437437.db2.gz ICZDAMFACJPWKE-SNVBAGLBSA-N 1 1 384.383 4.185 20 0 GIADMO COc1cc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185259 822437505 /nfs/dbraw/zinc/43/75/05/822437505.db2.gz HKWCPJNUYKKQCL-YESZJQIVSA-N 1 1 376.541 4.016 20 0 GIADMO COc1cc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185259 822437506 /nfs/dbraw/zinc/43/75/06/822437506.db2.gz HKWCPJNUYKKQCL-YESZJQIVSA-N 1 1 376.541 4.016 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000046060700 822438434 /nfs/dbraw/zinc/43/84/34/822438434.db2.gz DOAUCAHKSUJRTC-MRXNPFEDSA-N 1 1 380.916 4.248 20 0 GIADMO Cc1noc(C)c1C[N@H+](C)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000046060700 822438437 /nfs/dbraw/zinc/43/84/37/822438437.db2.gz DOAUCAHKSUJRTC-MRXNPFEDSA-N 1 1 380.916 4.248 20 0 GIADMO Cc1nc(-c2ccc([C@H](C)NC(=O)NCCCC[N@@H+](C)C3CC3)cc2)cs1 ZINC000454202791 822438501 /nfs/dbraw/zinc/43/85/01/822438501.db2.gz KJSADDGNVPOAAJ-HNNXBMFYSA-N 1 1 386.565 4.353 20 0 GIADMO Cc1cccc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)c1Cl ZINC000179118835 822440082 /nfs/dbraw/zinc/44/00/82/822440082.db2.gz KMIUTOAHSCWFLV-GOSISDBHSA-N 1 1 399.922 4.067 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCSc3c(F)cccc32)[C@@H]1c1ccccc1 ZINC000179124261 822440819 /nfs/dbraw/zinc/44/08/19/822440819.db2.gz CRZXYSUZVJLMIL-QYZOEREBSA-N 1 1 385.508 4.107 20 0 GIADMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000046092276 822440864 /nfs/dbraw/zinc/44/08/64/822440864.db2.gz FNKJYRLPTZPCBL-SBUREZEXSA-N 1 1 398.934 4.047 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@]2(CCOC2)C1)C1CCCCC1 ZINC000454226720 822440911 /nfs/dbraw/zinc/44/09/11/822440911.db2.gz KXCBCKPKKPDUCF-QHCPKHFHSA-N 1 1 385.552 4.486 20 0 GIADMO Cc1c(Cl)cccc1NC(=S)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000046103914 822441220 /nfs/dbraw/zinc/44/12/20/822441220.db2.gz BLWSPXBKGOETGN-GFCCVEGCSA-N 1 1 379.982 4.443 20 0 GIADMO Cc1c(Cl)cccc1NC(=S)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000046103914 822441222 /nfs/dbraw/zinc/44/12/22/822441222.db2.gz BLWSPXBKGOETGN-GFCCVEGCSA-N 1 1 379.982 4.443 20 0 GIADMO CCN(Cc1ccncc1)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000046129330 822442896 /nfs/dbraw/zinc/44/28/96/822442896.db2.gz NNFQCUHNXRZPDE-BGYRXZFFSA-N 1 1 394.563 4.291 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1)Nc1cccc(F)c1 ZINC000183220363 822443631 /nfs/dbraw/zinc/44/36/31/822443631.db2.gz UXUSKDITMYYZEN-KRWDZBQOSA-N 1 1 392.478 4.408 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(-c4cnn(C)c4)n3)cc2)C1 ZINC000046156242 822445391 /nfs/dbraw/zinc/44/53/91/822445391.db2.gz SWKDQTNGVDYZSK-OAHLLOKOSA-N 1 1 395.532 4.028 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1cncc(Br)c1)c1ccc(F)cc1 ZINC000179161500 822445817 /nfs/dbraw/zinc/44/58/17/822445817.db2.gz WAYMSCFJYKDXQX-MSOLQXFVSA-N 1 1 379.273 4.071 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1cncc(Br)c1)c1ccc(F)cc1 ZINC000179161500 822445818 /nfs/dbraw/zinc/44/58/18/822445818.db2.gz WAYMSCFJYKDXQX-MSOLQXFVSA-N 1 1 379.273 4.071 20 0 GIADMO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cn1)c1ccc(F)cc1 ZINC000179161645 822445866 /nfs/dbraw/zinc/44/58/66/822445866.db2.gz DJXLMKBYJWNPNI-QZTJIDSGSA-N 1 1 379.273 4.071 20 0 GIADMO O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(Br)cn1)c1ccc(F)cc1 ZINC000179161645 822445869 /nfs/dbraw/zinc/44/58/69/822445869.db2.gz DJXLMKBYJWNPNI-QZTJIDSGSA-N 1 1 379.273 4.071 20 0 GIADMO COc1ccc(-c2nc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cs2)cc1 ZINC000179170335 822446863 /nfs/dbraw/zinc/44/68/63/822446863.db2.gz ZOUAQKCNHZBWAF-UTKZUKDTSA-N 1 1 383.561 4.267 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1)c1nccs1 ZINC000183249241 822448331 /nfs/dbraw/zinc/44/83/31/822448331.db2.gz ZPIGAGVKIGIDKZ-CYBMUJFWSA-N 1 1 391.338 4.327 20 0 GIADMO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000179196649 822449584 /nfs/dbraw/zinc/44/95/84/822449584.db2.gz ZSRUBEIDDTYAEM-NSHDSACASA-N 1 1 382.327 4.351 20 0 GIADMO C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202981 822450270 /nfs/dbraw/zinc/45/02/70/822450270.db2.gz MOARWHXGMONISR-ZFWWWQNUSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202981 822450272 /nfs/dbraw/zinc/45/02/72/822450272.db2.gz MOARWHXGMONISR-ZFWWWQNUSA-N 1 1 380.355 4.221 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)c3cccs3)CC[N@H+]2C2CC2)c1 ZINC000183274773 822452141 /nfs/dbraw/zinc/45/21/41/822452141.db2.gz PECCPJAGGBXFJT-AZUAARDMSA-N 1 1 384.545 4.129 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ncc(Br)s1 ZINC000179216370 822452879 /nfs/dbraw/zinc/45/28/79/822452879.db2.gz OHEAMABXARDKRJ-QLJPJBMISA-N 1 1 395.322 4.479 20 0 GIADMO C[C@H](NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C(C)(F)F ZINC000454295515 822453504 /nfs/dbraw/zinc/45/35/04/822453504.db2.gz ZEDWQWAXMYFZSL-LBPRGKRZSA-N 1 1 393.400 4.013 20 0 GIADMO C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ncc(Br)s1 ZINC000179233495 822454898 /nfs/dbraw/zinc/45/48/98/822454898.db2.gz XEJWJVDSPGBDNK-SSDOTTSWSA-N 1 1 396.141 4.370 20 0 GIADMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000183300030 822455408 /nfs/dbraw/zinc/45/54/08/822455408.db2.gz BZCAYJGUNCJTRO-HKUYNNGSSA-N 1 1 387.911 4.423 20 0 GIADMO CO[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1(C)C ZINC000454306089 822455414 /nfs/dbraw/zinc/45/54/14/822455414.db2.gz HIQWQTLRPOHKNA-RXVVDRJESA-N 1 1 387.568 4.018 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ncc(Br)s1 ZINC000179238560 822455755 /nfs/dbraw/zinc/45/57/55/822455755.db2.gz YITTUVVNDNLVEC-ZJUUUORDSA-N 1 1 388.281 4.113 20 0 GIADMO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cnn1C ZINC000183311027 822457158 /nfs/dbraw/zinc/45/71/58/822457158.db2.gz YEFYWDXAXIMPIR-OAHLLOKOSA-N 1 1 397.548 4.067 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCc3c([nH]c4ccccc43)C2)cc1 ZINC000179264894 822459004 /nfs/dbraw/zinc/45/90/04/822459004.db2.gz QMVMWGQAOHHCLF-INIZCTEOSA-N 1 1 399.498 4.491 20 0 GIADMO Cc1cnc(CCN(C)C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)s1 ZINC000179274742 822460009 /nfs/dbraw/zinc/46/00/09/822460009.db2.gz FTQPVCHWRWRWJR-UHFFFAOYSA-N 1 1 393.556 4.398 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000046334779 822462194 /nfs/dbraw/zinc/46/21/94/822462194.db2.gz HJVFIUVAEMSADD-INIZCTEOSA-N 1 1 389.540 4.303 20 0 GIADMO CCc1ncc(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)o1 ZINC000454366987 822463081 /nfs/dbraw/zinc/46/30/81/822463081.db2.gz NYNDLCZAHSMJSO-UHFFFAOYSA-N 1 1 384.524 4.001 20 0 GIADMO O[C@H](COc1ccccc1F)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000046343371 822463496 /nfs/dbraw/zinc/46/34/96/822463496.db2.gz JNAYFZZXCOSTHA-HOTGVXAUSA-N 1 1 386.492 4.055 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCCOc2ccccc2)C[C@H](C)O1 ZINC000046342187 822463540 /nfs/dbraw/zinc/46/35/40/822463540.db2.gz MVOGLNTYZJXUJR-OALUTQOASA-N 1 1 382.504 4.094 20 0 GIADMO O[C@@H](COCc1ccccc1F)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000046344351 822463797 /nfs/dbraw/zinc/46/37/97/822463797.db2.gz ZORNQLGLFKUXRG-QGZVFWFLSA-N 1 1 375.465 4.060 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1F ZINC000454372513 822464436 /nfs/dbraw/zinc/46/44/36/822464436.db2.gz FNLHVEBWYZWXGD-IUODEOHRSA-N 1 1 398.404 4.192 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC1 ZINC000454378439 822465519 /nfs/dbraw/zinc/46/55/19/822465519.db2.gz NBJKRBICOPWBIU-UHFFFAOYSA-N 1 1 393.837 4.277 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000179330015 822467205 /nfs/dbraw/zinc/46/72/05/822467205.db2.gz OFYGTLYQQJJGAW-UHFFFAOYSA-N 1 1 376.850 4.487 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CCc2ccccc2C)cc1F ZINC000454399387 822469251 /nfs/dbraw/zinc/46/92/51/822469251.db2.gz XLVZYDWBFFBEGU-UHFFFAOYSA-N 1 1 380.467 4.012 20 0 GIADMO CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000183409323 822470064 /nfs/dbraw/zinc/47/00/64/822470064.db2.gz UZPRSQUAZNWODN-FQEVSTJZSA-N 1 1 397.544 4.129 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000046403760 822470392 /nfs/dbraw/zinc/47/03/92/822470392.db2.gz SSDUMIHBIMOFDC-UHFFFAOYSA-N 1 1 377.410 4.100 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000183411750 822470507 /nfs/dbraw/zinc/47/05/07/822470507.db2.gz YBPSGZMMCSFIMZ-UZUQRXQVSA-N 1 1 376.456 4.074 20 0 GIADMO CN(Cc1c(F)cccc1F)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000454408154 822470614 /nfs/dbraw/zinc/47/06/14/822470614.db2.gz ANSLQCGWSOZOSB-HNNXBMFYSA-N 1 1 393.503 4.080 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CC1 ZINC000046404394 822470646 /nfs/dbraw/zinc/47/06/46/822470646.db2.gz NKQPYONXWSIIKS-UHFFFAOYSA-N 1 1 384.332 4.449 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179363598 822471749 /nfs/dbraw/zinc/47/17/49/822471749.db2.gz INYYEPVHLJUIHZ-PXAZEXFGSA-N 1 1 397.281 4.342 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(COc4cccc(F)c4)c3)C2)C1 ZINC000454428118 822474219 /nfs/dbraw/zinc/47/42/19/822474219.db2.gz PKOMKVHJRUEQRV-QHCPKHFHSA-N 1 1 397.494 4.354 20 0 GIADMO CCc1cccc(C)c1NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388651 822475574 /nfs/dbraw/zinc/47/55/74/822475574.db2.gz SSSPUGWNMPAXEB-UHFFFAOYSA-N 1 1 394.563 4.129 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc21 ZINC000183447769 822476554 /nfs/dbraw/zinc/47/65/54/822476554.db2.gz INEFYLVTTAOAFK-SJLPKXTDSA-N 1 1 383.540 4.392 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1nc2c(s1)CCCC2 ZINC000179412452 822479109 /nfs/dbraw/zinc/47/91/09/822479109.db2.gz GIUBRYVVYADEFZ-NSHDSACASA-N 1 1 394.338 4.074 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000183469547 822479777 /nfs/dbraw/zinc/47/97/77/822479777.db2.gz YGWMLYRKWIYTAU-UHFFFAOYSA-N 1 1 380.439 4.249 20 0 GIADMO CCOc1cc(F)ccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046520195 822480771 /nfs/dbraw/zinc/48/07/71/822480771.db2.gz MIBKELKFXRLVAQ-IYBDPMFKSA-N 1 1 386.467 4.086 20 0 GIADMO CCOc1cc(F)ccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046520195 822480774 /nfs/dbraw/zinc/48/07/74/822480774.db2.gz MIBKELKFXRLVAQ-IYBDPMFKSA-N 1 1 386.467 4.086 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)Cc3scnc3C)c2)cc1 ZINC000179426593 822480762 /nfs/dbraw/zinc/48/07/62/822480762.db2.gz WPCMNQUWTUNSAQ-UHFFFAOYSA-N 1 1 381.501 4.344 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)Cc3scnc3C)c2)cc1 ZINC000179426593 822480766 /nfs/dbraw/zinc/48/07/66/822480766.db2.gz WPCMNQUWTUNSAQ-UHFFFAOYSA-N 1 1 381.501 4.344 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000183484812 822483626 /nfs/dbraw/zinc/48/36/26/822483626.db2.gz PGDVZIYNUDCMSZ-QWHCGFSZSA-N 1 1 394.874 4.024 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC000454490994 822483877 /nfs/dbraw/zinc/48/38/77/822483877.db2.gz MPPKFTRMTGRNCO-GOSISDBHSA-N 1 1 394.519 4.021 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@]2(O)CCCC2(C)C)c1 ZINC000454496805 822484933 /nfs/dbraw/zinc/48/49/33/822484933.db2.gz CHUGKNKJVMYBEJ-JOCHJYFZSA-N 1 1 384.524 4.118 20 0 GIADMO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179450078 822485015 /nfs/dbraw/zinc/48/50/15/822485015.db2.gz DDJNFANRHOFFNJ-QGZVFWFLSA-N 1 1 384.524 4.074 20 0 GIADMO Fc1ccc(C2([NH2+]Cc3cn4cc(Cl)ccc4n3)CCOCC2)c(F)c1 ZINC000179465227 822486540 /nfs/dbraw/zinc/48/65/40/822486540.db2.gz HEFVGYFGLMZSMG-UHFFFAOYSA-N 1 1 377.822 4.061 20 0 GIADMO COc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)c(Cl)c1OC ZINC000179464250 822486563 /nfs/dbraw/zinc/48/65/63/822486563.db2.gz FDYMTWWDHZTJCV-UHFFFAOYSA-N 1 1 397.849 4.431 20 0 GIADMO CCn1ccnc1[C@@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000454510830 822487755 /nfs/dbraw/zinc/48/77/55/822487755.db2.gz OHCXMGYEKKCEFD-MRXNPFEDSA-N 1 1 380.496 4.154 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2OCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000179479016 822488612 /nfs/dbraw/zinc/48/86/12/822488612.db2.gz ZYXJZIIVLBVBNQ-AEFFLSMTSA-N 1 1 393.409 4.195 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000454515965 822488929 /nfs/dbraw/zinc/48/89/29/822488929.db2.gz TYILYDKUGQXDQA-HBMCJLEFSA-N 1 1 396.535 4.212 20 0 GIADMO Cc1cccnc1[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)C(C)C ZINC000454515846 822489055 /nfs/dbraw/zinc/48/90/55/822489055.db2.gz PAAILVVIPNYURI-KNQAVFIVSA-N 1 1 394.563 4.251 20 0 GIADMO COCC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C1CCCC1 ZINC000046600815 822490552 /nfs/dbraw/zinc/49/05/52/822490552.db2.gz CVHRRQMVQVRTLK-UHFFFAOYSA-N 1 1 376.522 4.218 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)n2)cc1F ZINC000179499616 822491813 /nfs/dbraw/zinc/49/18/13/822491813.db2.gz UQEJDYATUAFMAQ-BBRMVZONSA-N 1 1 396.470 4.120 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)n2)cc1F ZINC000179499616 822491814 /nfs/dbraw/zinc/49/18/14/822491814.db2.gz UQEJDYATUAFMAQ-BBRMVZONSA-N 1 1 396.470 4.120 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000183540653 822492162 /nfs/dbraw/zinc/49/21/62/822492162.db2.gz ISYDSTIVQIESFO-UHFFFAOYSA-N 1 1 396.491 4.088 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183540414 822492262 /nfs/dbraw/zinc/49/22/62/822492262.db2.gz BCWRDUHNYRZTCI-OLZOCXBDSA-N 1 1 391.466 4.275 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183540414 822492264 /nfs/dbraw/zinc/49/22/64/822492264.db2.gz BCWRDUHNYRZTCI-OLZOCXBDSA-N 1 1 391.466 4.275 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183540414 822492265 /nfs/dbraw/zinc/49/22/65/822492265.db2.gz BCWRDUHNYRZTCI-OLZOCXBDSA-N 1 1 391.466 4.275 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C2CC2)n1 ZINC000183545586 822492881 /nfs/dbraw/zinc/49/28/81/822492881.db2.gz CEHQVYWNSBBRJB-VLIAUNLRSA-N 1 1 383.517 4.458 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C2CC2)n1 ZINC000183549232 822493296 /nfs/dbraw/zinc/49/32/96/822493296.db2.gz FDWIKQHRSAPKCO-OALUTQOASA-N 1 1 375.513 4.145 20 0 GIADMO C[NH+](C)CCOc1cc(CN[C@H]2CCSc3ccc(Cl)cc32)ccn1 ZINC000179511227 822493611 /nfs/dbraw/zinc/49/36/11/822493611.db2.gz ZWWKRUWICFEFPN-KRWDZBQOSA-N 1 1 377.941 4.002 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183553426 822493826 /nfs/dbraw/zinc/49/38/26/822493826.db2.gz XNLXGVUUSSXTHH-SJCJKPOMSA-N 1 1 393.940 4.490 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C2CC2)n1 ZINC000183565828 822495591 /nfs/dbraw/zinc/49/55/91/822495591.db2.gz QIOJLCZDHNXLHB-HZPDHXFCSA-N 1 1 379.888 4.090 20 0 GIADMO OC[C@H]1C=C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000183570586 822496224 /nfs/dbraw/zinc/49/62/24/822496224.db2.gz WEYWQVVFLXOKMC-URKNILKWSA-N 1 1 376.269 4.204 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)NCC3(C)CCCCCC3)CC2)oc1C ZINC000183576810 822496657 /nfs/dbraw/zinc/49/66/57/822496657.db2.gz QTYSCQZYDPYNLC-UHFFFAOYSA-N 1 1 390.572 4.163 20 0 GIADMO CCCNc1ccccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000183589797 822498261 /nfs/dbraw/zinc/49/82/61/822498261.db2.gz YCHZEUYHVROPOR-HDICACEKSA-N 1 1 381.520 4.370 20 0 GIADMO CCCNc1ccccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000183589797 822498265 /nfs/dbraw/zinc/49/82/65/822498265.db2.gz YCHZEUYHVROPOR-HDICACEKSA-N 1 1 381.520 4.370 20 0 GIADMO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183605603 822500372 /nfs/dbraw/zinc/50/03/72/822500372.db2.gz GSXBSGXAQHSOBC-QUCCMNQESA-N 1 1 385.483 4.299 20 0 GIADMO Cc1sc2nc([C@@H](C)[NH2+][C@H](C)c3cccc(-n4cccn4)c3)nc(N)c2c1C ZINC000183608952 822500571 /nfs/dbraw/zinc/50/05/71/822500571.db2.gz PDOJHGKIJVNCBP-ZIAGYGMSSA-N 1 1 392.532 4.488 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000183610832 822500977 /nfs/dbraw/zinc/50/09/77/822500977.db2.gz RSOBQSFRCKBRAA-MOPGFXCFSA-N 1 1 396.531 4.115 20 0 GIADMO C[N@@H+](CCCOc1ccccc1)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000046669659 822501590 /nfs/dbraw/zinc/50/15/90/822501590.db2.gz KGMYCNCOUZICPC-HSZRJFAPSA-N 1 1 394.540 4.355 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000454591390 822502508 /nfs/dbraw/zinc/50/25/08/822502508.db2.gz KDKGKQHCKHYPMT-AEFFLSMTSA-N 1 1 387.474 4.159 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000179554564 822502579 /nfs/dbraw/zinc/50/25/79/822502579.db2.gz ZIKZOUYPFJLKGD-QTJFZDIUSA-N 1 1 380.866 4.341 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000179555848 822502775 /nfs/dbraw/zinc/50/27/75/822502775.db2.gz WAKWXZKCSZKTMW-FOPRYUNUSA-N 1 1 398.856 4.480 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1c(F)cccc1F ZINC000454597970 822503750 /nfs/dbraw/zinc/50/37/50/822503750.db2.gz CSPLYADWTZHBSZ-HRAATJIYSA-N 1 1 387.474 4.017 20 0 GIADMO COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000454601353 822504149 /nfs/dbraw/zinc/50/41/49/822504149.db2.gz SUUDVFBYAYXPDB-HNNXBMFYSA-N 1 1 387.455 4.008 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CSc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000454603217 822504337 /nfs/dbraw/zinc/50/43/37/822504337.db2.gz RLOZVSHLFIADDC-RLLQIKCJSA-N 1 1 395.572 4.228 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000179573574 822505728 /nfs/dbraw/zinc/50/57/28/822505728.db2.gz WZGUZCOTOGDMSY-VLIAUNLRSA-N 1 1 392.507 4.128 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CSc2ccccc21 ZINC000454619261 822507552 /nfs/dbraw/zinc/50/75/52/822507552.db2.gz NZJSBOVJZLKDOL-SLYNCCJLSA-N 1 1 395.572 4.086 20 0 GIADMO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H](C)c2ccccc2Cl)C1 ZINC000183667340 822508118 /nfs/dbraw/zinc/50/81/18/822508118.db2.gz MPRHSAOBHXFPOI-CQSZACIVSA-N 1 1 381.900 4.043 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1noc2ccccc12 ZINC000046715470 822508961 /nfs/dbraw/zinc/50/89/61/822508961.db2.gz QRIAOSLHFOEPNI-KRWDZBQOSA-N 1 1 377.488 4.061 20 0 GIADMO CSCC1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000454630815 822509507 /nfs/dbraw/zinc/50/95/07/822509507.db2.gz ZCQAPAOVJMQOLS-WYNBGMTASA-N 1 1 389.609 4.118 20 0 GIADMO O=C(Cc1ccsc1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046723997 822509934 /nfs/dbraw/zinc/50/99/34/822509934.db2.gz CDDLITICKVCTJK-IBGZPJMESA-N 1 1 382.554 4.268 20 0 GIADMO O=C(Cc1ccsc1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046723997 822509938 /nfs/dbraw/zinc/50/99/38/822509938.db2.gz CDDLITICKVCTJK-IBGZPJMESA-N 1 1 382.554 4.268 20 0 GIADMO CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@@H](C)c1cccc(OC)c1 ZINC000046752279 822513053 /nfs/dbraw/zinc/51/30/53/822513053.db2.gz SSNKQJILCGFQCI-OALUTQOASA-N 1 1 375.557 4.300 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000046752915 822513343 /nfs/dbraw/zinc/51/33/43/822513343.db2.gz UMIDILKZTDWBPX-MRXNPFEDSA-N 1 1 396.373 4.103 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(OCc4ccccc4F)cc3)C2)C1 ZINC000454669182 822515050 /nfs/dbraw/zinc/51/50/50/822515050.db2.gz YFFBRBCXZFPKNV-QHCPKHFHSA-N 1 1 397.494 4.354 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000046766576 822515091 /nfs/dbraw/zinc/51/50/91/822515091.db2.gz NCMKFEHGZCIATM-HNNXBMFYSA-N 1 1 385.489 4.262 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)c1ccc(F)cc1F ZINC000179627427 822515460 /nfs/dbraw/zinc/51/54/60/822515460.db2.gz XVLVXCBZYUGWCT-OAHLLOKOSA-N 1 1 398.837 4.315 20 0 GIADMO CCOc1ccc(OCC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000046780558 822516573 /nfs/dbraw/zinc/51/65/73/822516573.db2.gz OEVOKLDDHATZQP-LJQANCHMSA-N 1 1 396.531 4.012 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC[N@H+]1C ZINC000179637847 822517506 /nfs/dbraw/zinc/51/75/06/822517506.db2.gz WSGUPOCUKAQKIU-KKSFZXQISA-N 1 1 379.504 4.235 20 0 GIADMO COc1ccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000046795119 822518049 /nfs/dbraw/zinc/51/80/49/822518049.db2.gz SPUFUWNBVKNUBU-OAQYLSRUSA-N 1 1 392.524 4.286 20 0 GIADMO COc1ccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000046795119 822518050 /nfs/dbraw/zinc/51/80/50/822518050.db2.gz SPUFUWNBVKNUBU-OAQYLSRUSA-N 1 1 392.524 4.286 20 0 GIADMO CN(Cc1ccco1)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046804261 822519050 /nfs/dbraw/zinc/51/90/50/822519050.db2.gz YDCYHDZYEQPPBI-HXUWFJFHSA-N 1 1 395.528 4.282 20 0 GIADMO CN(Cc1ccco1)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046804261 822519054 /nfs/dbraw/zinc/51/90/54/822519054.db2.gz YDCYHDZYEQPPBI-HXUWFJFHSA-N 1 1 395.528 4.282 20 0 GIADMO CCC[C@H]1CN(C(=O)CCc2c(C)noc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000179654590 822521065 /nfs/dbraw/zinc/52/10/65/822521065.db2.gz CABQPASPZZKEHV-SFHVURJKSA-N 1 1 389.927 4.082 20 0 GIADMO C[C@H](C1CC1)N(C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179654882 822521322 /nfs/dbraw/zinc/52/13/22/822521322.db2.gz XCVYEUWGPSFXPI-OWDMVUQNSA-N 1 1 393.934 4.444 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)c(OC)c1 ZINC000183751381 822522234 /nfs/dbraw/zinc/52/22/34/822522234.db2.gz HCAXFHIYBOFWJA-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO Cn1c(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)nc2ccccc2c1=O ZINC000179668186 822523404 /nfs/dbraw/zinc/52/34/04/822523404.db2.gz QESNNSRSZMWISM-QFIPXVFZSA-N 1 1 383.495 4.397 20 0 GIADMO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000179672432 822524007 /nfs/dbraw/zinc/52/40/07/822524007.db2.gz JULLBXOZGBZFLH-PGRDOPGGSA-N 1 1 381.520 4.227 20 0 GIADMO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000179672432 822524011 /nfs/dbraw/zinc/52/40/11/822524011.db2.gz JULLBXOZGBZFLH-PGRDOPGGSA-N 1 1 381.520 4.227 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)c1 ZINC000046875763 822525781 /nfs/dbraw/zinc/52/57/81/822525781.db2.gz NFTIICJLHQIKSF-FQEVSTJZSA-N 1 1 390.487 4.180 20 0 GIADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000179704300 822531442 /nfs/dbraw/zinc/53/14/42/822531442.db2.gz YTSZHGZKGAOGLX-KSSFIOAISA-N 1 1 390.325 4.104 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000179704300 822531447 /nfs/dbraw/zinc/53/14/47/822531447.db2.gz YTSZHGZKGAOGLX-KSSFIOAISA-N 1 1 390.325 4.104 20 0 GIADMO COc1cc([C@@H](C)NCC[NH+]2CCC(C)CC2)ccc1OCc1ccncc1 ZINC000179705492 822531498 /nfs/dbraw/zinc/53/14/98/822531498.db2.gz XFDLOUIMJILSRS-LJQANCHMSA-N 1 1 383.536 4.052 20 0 GIADMO CC1([C@@H]2CCC[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)OCCO1 ZINC000183820140 822531820 /nfs/dbraw/zinc/53/18/20/822531820.db2.gz YUGSHMLTBXRABC-OAHLLOKOSA-N 1 1 378.925 4.439 20 0 GIADMO Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]Cc1nnc3ccccn31)CCC2 ZINC000183820837 822531872 /nfs/dbraw/zinc/53/18/72/822531872.db2.gz DJLVFHDSJALUPQ-OAHLLOKOSA-N 1 1 379.464 4.159 20 0 GIADMO COc1cccc(COCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000046935119 822532913 /nfs/dbraw/zinc/53/29/13/822532913.db2.gz QPSPVMRSYYSJMX-GOSISDBHSA-N 1 1 382.504 4.082 20 0 GIADMO C[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[N@H+]1CCC[C@H](C)C1 ZINC000046952424 822533768 /nfs/dbraw/zinc/53/37/68/822533768.db2.gz YUVQQTLYJYJIHB-HOTGVXAUSA-N 1 1 389.927 4.164 20 0 GIADMO Cc1noc(C)c1COc1cccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000046988746 822536008 /nfs/dbraw/zinc/53/60/08/822536008.db2.gz LXMVVTRRGSZGBV-QGZVFWFLSA-N 1 1 399.535 4.255 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047010917 822537670 /nfs/dbraw/zinc/53/76/70/822537670.db2.gz IMEBRVHDEGCTSL-UZLBHIALSA-N 1 1 399.560 4.050 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000047010917 822537671 /nfs/dbraw/zinc/53/76/71/822537671.db2.gz IMEBRVHDEGCTSL-UZLBHIALSA-N 1 1 399.560 4.050 20 0 GIADMO CC[C@H](CNc1ccccc1)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000454810373 822538640 /nfs/dbraw/zinc/53/86/40/822538640.db2.gz NNDUPDIVLZFGBX-UYAOXDASSA-N 1 1 396.535 4.092 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000179740315 822540081 /nfs/dbraw/zinc/54/00/81/822540081.db2.gz PLVLOKUUMGPLQR-CYBMUJFWSA-N 1 1 379.551 4.218 20 0 GIADMO Fc1cccc(-c2nc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)co2)c1 ZINC000179745213 822541644 /nfs/dbraw/zinc/54/16/44/822541644.db2.gz VMNCMHCOJRXJMH-OAQYLSRUSA-N 1 1 380.419 4.493 20 0 GIADMO COc1cc([C@@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)ccc1S(C)(=O)=O ZINC000179753081 822543178 /nfs/dbraw/zinc/54/31/78/822543178.db2.gz HBDGBCLXZDCXFB-CYBMUJFWSA-N 1 1 395.471 4.107 20 0 GIADMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000183901488 822543200 /nfs/dbraw/zinc/54/32/00/822543200.db2.gz NQTYOYPGGQJJKU-UHFFFAOYSA-N 1 1 396.535 4.017 20 0 GIADMO C[C@H]([NH2+]C1(c2ccc(F)cc2F)CCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179754333 822543581 /nfs/dbraw/zinc/54/35/81/822543581.db2.gz OPMHPJNLWIWJMH-LBPRGKRZSA-N 1 1 383.435 4.237 20 0 GIADMO COc1ccc(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1O ZINC000047116423 822545265 /nfs/dbraw/zinc/54/52/65/822545265.db2.gz BQJADBIDVGMQIA-UHFFFAOYSA-N 1 1 397.519 4.487 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Br)s1 ZINC000183918070 822546072 /nfs/dbraw/zinc/54/60/72/822546072.db2.gz PBHSWMBCHSRPRQ-LBPRGKRZSA-N 1 1 396.354 4.374 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(-c2ccccc2)no1 ZINC000179767302 822547925 /nfs/dbraw/zinc/54/79/25/822547925.db2.gz YYHZPISCZXTKOL-JLTOFOAXSA-N 1 1 377.444 4.310 20 0 GIADMO C[C@H](CCCC(F)(F)F)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454868824 822548710 /nfs/dbraw/zinc/54/87/10/822548710.db2.gz YLTLNLBCSBCFDU-IAGOWNOFSA-N 1 1 385.474 4.271 20 0 GIADMO CCc1nc2ccccc2n1CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000179769299 822548976 /nfs/dbraw/zinc/54/89/76/822548976.db2.gz KTZZSOAMZOKXRN-UHFFFAOYSA-N 1 1 376.504 4.209 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000179775370 822550249 /nfs/dbraw/zinc/55/02/49/822550249.db2.gz COCRFQPENQJICX-UHFFFAOYSA-N 1 1 396.248 4.072 20 0 GIADMO COC1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2C(F)(F)F)CC1 ZINC000179782833 822551976 /nfs/dbraw/zinc/55/19/76/822551976.db2.gz UDHYIZQBHYRXOO-GOEBONIOSA-N 1 1 385.474 4.215 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000047187854 822552592 /nfs/dbraw/zinc/55/25/92/822552592.db2.gz RFTRRCAZTLDCMR-IBGZPJMESA-N 1 1 383.536 4.293 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183958985 822553910 /nfs/dbraw/zinc/55/39/10/822553910.db2.gz BNWNLQHYBAZSAE-OLZOCXBDSA-N 1 1 381.929 4.176 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183958985 822553915 /nfs/dbraw/zinc/55/39/15/822553915.db2.gz BNWNLQHYBAZSAE-OLZOCXBDSA-N 1 1 381.929 4.176 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)s1 ZINC000183965464 822555237 /nfs/dbraw/zinc/55/52/37/822555237.db2.gz WHFKEBYFGJVUDR-UHFFFAOYSA-N 1 1 377.529 4.243 20 0 GIADMO Cc1cccnc1NC(=O)C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000047261523 822559684 /nfs/dbraw/zinc/55/96/84/822559684.db2.gz CUDAYLPDIFOTNI-UHFFFAOYSA-N 1 1 398.557 4.426 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1)C1CC1 ZINC000454943397 822561131 /nfs/dbraw/zinc/56/11/31/822561131.db2.gz LURPCBZJRVRTJA-UHFFFAOYSA-N 1 1 392.503 4.415 20 0 GIADMO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179829912 822561648 /nfs/dbraw/zinc/56/16/48/822561648.db2.gz SKYFGHFTVYXIJQ-UHFFFAOYSA-N 1 1 393.466 4.002 20 0 GIADMO Cc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cnn1C(C)(C)C ZINC000047295333 822563190 /nfs/dbraw/zinc/56/31/90/822563190.db2.gz CWOMTCJXAOBUKG-LJQANCHMSA-N 1 1 388.943 4.167 20 0 GIADMO C[C@H]1CN(C(=O)Nc2cccc(OCCF)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454971840 822564983 /nfs/dbraw/zinc/56/49/83/822564983.db2.gz WLCDLXBDDGTAMM-GOSISDBHSA-N 1 1 385.483 4.021 20 0 GIADMO O=C(Nc1cccc(Cl)c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047324118 822566113 /nfs/dbraw/zinc/56/61/13/822566113.db2.gz LWGKHNUOPGCSLF-UHFFFAOYSA-N 1 1 379.838 4.404 20 0 GIADMO Cc1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2C)cc1-c1ncco1 ZINC000184047553 822570449 /nfs/dbraw/zinc/57/04/49/822570449.db2.gz QBCXSVIFVGWKAP-JOCHJYFZSA-N 1 1 377.488 4.444 20 0 GIADMO O=C(Nc1cccc2cccnc21)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047377077 822572532 /nfs/dbraw/zinc/57/25/32/822572532.db2.gz SXHCVWUTRXXIOL-UHFFFAOYSA-N 1 1 396.441 4.299 20 0 GIADMO Cc1ncc(-c2ccccc2)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000455023295 822573070 /nfs/dbraw/zinc/57/30/70/822573070.db2.gz LDLCJLHICOKHCI-KRWDZBQOSA-N 1 1 378.520 4.395 20 0 GIADMO Cc1ncc(-c2ccccc2)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000455023296 822573074 /nfs/dbraw/zinc/57/30/74/822573074.db2.gz LDLCJLHICOKHCI-QGZVFWFLSA-N 1 1 378.520 4.395 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1C ZINC000455026341 822573976 /nfs/dbraw/zinc/57/39/76/822573976.db2.gz RQLXVOVDVGBBQV-KRWDZBQOSA-N 1 1 379.504 4.183 20 0 GIADMO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC1CCOCC1 ZINC000179911627 822575374 /nfs/dbraw/zinc/57/53/74/822575374.db2.gz TXVSUXXNQDPSIK-WMZHIEFXSA-N 1 1 395.547 4.270 20 0 GIADMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083857 822575613 /nfs/dbraw/zinc/57/56/13/822575613.db2.gz OCOIIWWHVQGIEA-QEEYODRMSA-N 1 1 384.395 4.276 20 0 GIADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000184105560 822578917 /nfs/dbraw/zinc/57/89/17/822578917.db2.gz URGIGJRAAJVSLR-XJKSGUPXSA-N 1 1 378.925 4.030 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000179930507 822579132 /nfs/dbraw/zinc/57/91/32/822579132.db2.gz YUCPXOOPBJRWCU-CZUORRHYSA-N 1 1 376.497 4.082 20 0 GIADMO Cc1noc(C2CC[NH+](Cc3ccc(Br)c4cccnc34)CC2)n1 ZINC000179941164 822581406 /nfs/dbraw/zinc/58/14/06/822581406.db2.gz HVMICRNCXVYUAH-UHFFFAOYSA-N 1 1 387.281 4.068 20 0 GIADMO Cn1cc([C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)c2cccc(F)c2)cn1 ZINC000179961087 822586055 /nfs/dbraw/zinc/58/60/55/822586055.db2.gz NXRHUXKCWDLPTQ-TZIWHRDSSA-N 1 1 384.524 4.137 20 0 GIADMO CCOc1ccc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)c2ncccc12 ZINC000184151065 822586429 /nfs/dbraw/zinc/58/64/29/822586429.db2.gz HBVQNAZZFGRLJU-UHFFFAOYSA-N 1 1 390.487 4.192 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)C2)C1 ZINC000455099631 822588714 /nfs/dbraw/zinc/58/87/14/822588714.db2.gz GKIVZKUWKJIULL-HXUWFJFHSA-N 1 1 381.467 4.092 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000184172340 822590594 /nfs/dbraw/zinc/59/05/94/822590594.db2.gz INODEKHXUPHLFW-INIZCTEOSA-N 1 1 387.501 4.298 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000184172340 822590596 /nfs/dbraw/zinc/59/05/96/822590596.db2.gz INODEKHXUPHLFW-INIZCTEOSA-N 1 1 387.501 4.298 20 0 GIADMO C[C@H]1CN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC[N@H+](C2CCC2)C1 ZINC000455117179 822591315 /nfs/dbraw/zinc/59/13/15/822591315.db2.gz ZKQWFMPCKWPEKM-CQSZACIVSA-N 1 1 395.494 4.480 20 0 GIADMO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000180009871 822595608 /nfs/dbraw/zinc/59/56/08/822595608.db2.gz PBQRRKCZOIKERL-RDTXWAMCSA-N 1 1 386.883 4.055 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000184210452 822596688 /nfs/dbraw/zinc/59/66/88/822596688.db2.gz JCRWPMQFTCMPIS-JXFKEZNVSA-N 1 1 387.474 4.477 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](CCC(C)C)c2ccc(Cl)cc2)cs1 ZINC000180026577 822599835 /nfs/dbraw/zinc/59/98/35/822599835.db2.gz ASNSCBYTJHUHKM-KRWDZBQOSA-N 1 1 379.957 4.352 20 0 GIADMO COc1ccc(OCc2nc(CNc3[nH+]c4cc(F)ccc4n3C)cs2)cc1 ZINC000184254780 822603985 /nfs/dbraw/zinc/60/39/85/822603985.db2.gz OZOXBRPQCRKWLB-UHFFFAOYSA-N 1 1 398.463 4.369 20 0 GIADMO COc1cc(CNc2[nH+]c3cc(F)ccc3n2C)ccc1OCc1ccncc1 ZINC000184256022 822604183 /nfs/dbraw/zinc/60/41/83/822604183.db2.gz WMKZLKAXGIXKTG-UHFFFAOYSA-N 1 1 392.434 4.307 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(Br)c2Cl)[C@@H]1c1ccccc1 ZINC000180056646 822605613 /nfs/dbraw/zinc/60/56/13/822605613.db2.gz PMNYDWMQSZSWLD-WBVHZDCISA-N 1 1 393.712 4.278 20 0 GIADMO CCOc1c(Cl)cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000455198616 822606373 /nfs/dbraw/zinc/60/63/73/822606373.db2.gz ULTNVTVGWADQDR-SFHVURJKSA-N 1 1 386.323 4.342 20 0 GIADMO COc1cc([C@@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1S(C)(=O)=O ZINC000180060360 822606425 /nfs/dbraw/zinc/60/64/25/822606425.db2.gz UIWUPTAPIVWIKZ-CYBMUJFWSA-N 1 1 399.516 4.036 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180062447 822606916 /nfs/dbraw/zinc/60/69/16/822606916.db2.gz DKGPCBRWBOCURJ-LLVKDONJSA-N 1 1 377.275 4.169 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c3nc(C)cs3)ccc2c1 ZINC000184274499 822607086 /nfs/dbraw/zinc/60/70/86/822607086.db2.gz OXUHJVJKCLJFCW-JKSUJKDBSA-N 1 1 397.544 4.311 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(F)cc3F)CC[N@H+]2C2CC2)c1 ZINC000180068641 822608644 /nfs/dbraw/zinc/60/86/44/822608644.db2.gz AUGIXQFWFGUEHX-VQTJNVASSA-N 1 1 387.430 4.073 20 0 GIADMO Clc1ccccc1[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000180094820 822614301 /nfs/dbraw/zinc/61/43/01/822614301.db2.gz BADJVLHPXRXTKR-HJPURHCSSA-N 1 1 398.934 4.275 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)C1 ZINC000180098461 822614871 /nfs/dbraw/zinc/61/48/71/822614871.db2.gz FQRIZEMIFNTNOO-IBGZPJMESA-N 1 1 392.507 4.117 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H](c3cccc4ccccc43)C(F)(F)F)C2)C1 ZINC000455240837 822615611 /nfs/dbraw/zinc/61/56/11/822615611.db2.gz RTGPPPXIMAGPHM-AZUAARDMSA-N 1 1 391.437 4.180 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cncc(Cl)c3Cl)cc2)C[C@H](C)O1 ZINC000180111576 822617487 /nfs/dbraw/zinc/61/74/87/822617487.db2.gz OSWYTANBIOBDMN-BETUJISGSA-N 1 1 394.302 4.250 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cncc(Cl)c3Cl)cc2)C[C@H](C)O1 ZINC000180111576 822617488 /nfs/dbraw/zinc/61/74/88/822617488.db2.gz OSWYTANBIOBDMN-BETUJISGSA-N 1 1 394.302 4.250 20 0 GIADMO COc1ccc2oc([C@@H](C)[NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)c(C)c2c1 ZINC000184337176 822617872 /nfs/dbraw/zinc/61/78/72/822617872.db2.gz LMJJKISCQKBSAV-QVKFZJNVSA-N 1 1 378.472 4.420 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180113083 822617885 /nfs/dbraw/zinc/61/78/85/822617885.db2.gz VBGXMCRGWYQFCS-HSZRJFAPSA-N 1 1 380.511 4.279 20 0 GIADMO Cc1noc(C)c1C[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000047910892 822618933 /nfs/dbraw/zinc/61/89/33/822618933.db2.gz NIHUNHSQRPXLTL-UHFFFAOYSA-N 1 1 399.498 4.224 20 0 GIADMO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000455262474 822620603 /nfs/dbraw/zinc/62/06/03/822620603.db2.gz MQTLXTOICZLAAX-QZTJIDSGSA-N 1 1 383.540 4.148 20 0 GIADMO Cc1cc2c(cc1NC(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)OCO2 ZINC000180126197 822620694 /nfs/dbraw/zinc/62/06/94/822620694.db2.gz CQVXKTCCSYKWJP-QGZVFWFLSA-N 1 1 387.524 4.232 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)C2)C1 ZINC000455265349 822621182 /nfs/dbraw/zinc/62/11/82/822621182.db2.gz CNMZNECSKVGCDS-LJQANCHMSA-N 1 1 383.458 4.476 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(C(C)(C)C(F)(F)F)cc3)C2)C1 ZINC000455265345 822621185 /nfs/dbraw/zinc/62/11/85/822621185.db2.gz CNMZNECSKVGCDS-IBGZPJMESA-N 1 1 383.458 4.476 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000047945053 822621511 /nfs/dbraw/zinc/62/15/11/822621511.db2.gz PCFFIBLKCMDGQN-CALCHBBNSA-N 1 1 390.528 4.135 20 0 GIADMO Clc1cccc(N2CCCC2)c1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180132339 822622347 /nfs/dbraw/zinc/62/23/47/822622347.db2.gz KWILGGWIAADJGI-UHFFFAOYSA-N 1 1 391.987 4.065 20 0 GIADMO CCCC(=O)Nc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000180136642 822624007 /nfs/dbraw/zinc/62/40/07/822624007.db2.gz DMMRDQOUNLGZLC-JOCHJYFZSA-N 1 1 380.467 4.177 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)C1 ZINC000184375792 822624387 /nfs/dbraw/zinc/62/43/87/822624387.db2.gz PQOTYFRZFFDDDS-ZDUSSCGKSA-N 1 1 393.944 4.054 20 0 GIADMO O=C(NCc1nc(C[NH2+][C@H](c2ccccc2)C2CC2)cs1)c1ccccc1 ZINC000180145275 822625911 /nfs/dbraw/zinc/62/59/11/822625911.db2.gz HWVUJRJMUMORBC-OAQYLSRUSA-N 1 1 377.513 4.314 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2cc(Br)cs2)c2cccc(F)c2)cn1 ZINC000180150430 822627365 /nfs/dbraw/zinc/62/73/65/822627365.db2.gz YPNNNUQLXVAFHJ-INIZCTEOSA-N 1 1 380.286 4.262 20 0 GIADMO CSc1c(F)cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000184396693 822628000 /nfs/dbraw/zinc/62/80/00/822628000.db2.gz FMRQVRJIMRYTQI-PXAZEXFGSA-N 1 1 381.492 4.167 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000048061261 822628265 /nfs/dbraw/zinc/62/82/65/822628265.db2.gz IUURRLOQGIIPDB-UHFFFAOYSA-N 1 1 387.446 4.212 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000048072880 822629444 /nfs/dbraw/zinc/62/94/44/822629444.db2.gz OCXWZEAXHWICKD-UHFFFAOYSA-N 1 1 398.507 4.116 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2Br)[C@@H]1c1ccccc1 ZINC000180162689 822630261 /nfs/dbraw/zinc/63/02/61/822630261.db2.gz WJPKHWBVQAFFAS-APWZRJJASA-N 1 1 398.304 4.106 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)c1nc(C)cs1 ZINC000184418551 822631470 /nfs/dbraw/zinc/63/14/70/822631470.db2.gz RSYIAWCXFFTABV-CYBMUJFWSA-N 1 1 382.327 4.202 20 0 GIADMO FC(F)(F)CCN1CCC([NH2+]Cc2nccn2CCCc2ccccc2)CC1 ZINC000180170096 822631550 /nfs/dbraw/zinc/63/15/50/822631550.db2.gz XEINCXOGWXAHSN-UHFFFAOYSA-N 1 1 394.485 4.022 20 0 GIADMO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171234 822632058 /nfs/dbraw/zinc/63/20/58/822632058.db2.gz XEVCRSBYVQQWHL-MFXLTOHQSA-N 1 1 388.914 4.298 20 0 GIADMO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171234 822632061 /nfs/dbraw/zinc/63/20/61/822632061.db2.gz XEVCRSBYVQQWHL-MFXLTOHQSA-N 1 1 388.914 4.298 20 0 GIADMO O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171234 822632063 /nfs/dbraw/zinc/63/20/63/822632063.db2.gz XEVCRSBYVQQWHL-MFXLTOHQSA-N 1 1 388.914 4.298 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000184460374 822639387 /nfs/dbraw/zinc/63/93/87/822639387.db2.gz YRQBQULTIIFCRR-FQEVSTJZSA-N 1 1 394.515 4.493 20 0 GIADMO COc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000048182948 822642825 /nfs/dbraw/zinc/64/28/25/822642825.db2.gz VXMIVUTWAGGRSB-LPHOPBHVSA-N 1 1 388.533 4.112 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](CC(=O)OC(C)C)C3)n2)ccc1F ZINC000184479381 822642952 /nfs/dbraw/zinc/64/29/52/822642952.db2.gz WXCJLNHRBQMWHV-JKSUJKDBSA-N 1 1 389.471 4.299 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[N@H+]3CCC[C@H](CC(=O)OC(C)C)C3)n2)ccc1F ZINC000184479381 822642953 /nfs/dbraw/zinc/64/29/53/822642953.db2.gz WXCJLNHRBQMWHV-JKSUJKDBSA-N 1 1 389.471 4.299 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](CC(=O)OC(C)C)C3)n2)ccc1F ZINC000184479364 822642983 /nfs/dbraw/zinc/64/29/83/822642983.db2.gz WXCJLNHRBQMWHV-HZPDHXFCSA-N 1 1 389.471 4.299 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](CC(=O)OC(C)C)C3)n2)ccc1F ZINC000184479364 822642984 /nfs/dbraw/zinc/64/29/84/822642984.db2.gz WXCJLNHRBQMWHV-HZPDHXFCSA-N 1 1 389.471 4.299 20 0 GIADMO Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000455398122 822646550 /nfs/dbraw/zinc/64/65/50/822646550.db2.gz VMXSNZBJZMDGAI-GOSISDBHSA-N 1 1 392.547 4.319 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccccc1F ZINC000180243713 822646852 /nfs/dbraw/zinc/64/68/52/822646852.db2.gz PDSNKWUPHGMVAN-GOSISDBHSA-N 1 1 378.513 4.143 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2cccnc2)cc1 ZINC000048227561 822647111 /nfs/dbraw/zinc/64/71/11/822647111.db2.gz NHNDZSBVFMYXBA-SFHVURJKSA-N 1 1 383.561 4.006 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCSC[C@H]2c2nccs2)cc1)C(C)C ZINC000184529220 822651718 /nfs/dbraw/zinc/65/17/18/822651718.db2.gz HNKVENIUVAHRKM-SFHVURJKSA-N 1 1 389.590 4.304 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCSCc2ccccn2)cc1 ZINC000048323259 822653594 /nfs/dbraw/zinc/65/35/94/822653594.db2.gz VXBNWELHIRKQRG-LJQANCHMSA-N 1 1 397.588 4.396 20 0 GIADMO CCCOc1cc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180285044 822655248 /nfs/dbraw/zinc/65/52/48/822655248.db2.gz UEVGUIMVDQETEF-DXPJPUQTSA-N 1 1 375.534 4.414 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000048361387 822656165 /nfs/dbraw/zinc/65/61/65/822656165.db2.gz JSTSNVRJIPKLQD-GASCZTMLSA-N 1 1 390.886 4.018 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000048361387 822656167 /nfs/dbraw/zinc/65/61/67/822656167.db2.gz JSTSNVRJIPKLQD-GASCZTMLSA-N 1 1 390.886 4.018 20 0 GIADMO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000455470513 822660931 /nfs/dbraw/zinc/66/09/31/822660931.db2.gz HJKUZWILDARMOB-YZDRTPDPSA-N 1 1 383.458 4.122 20 0 GIADMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000048434340 822661736 /nfs/dbraw/zinc/66/17/36/822661736.db2.gz COFLXBYSBKPXGA-GHTZIAJQSA-N 1 1 394.515 4.204 20 0 GIADMO O=C(C[NH2+][C@@H](COc1ccccc1F)c1ccccc1)Nc1cccnc1Cl ZINC000180326329 822663790 /nfs/dbraw/zinc/66/37/90/822663790.db2.gz WRZLBGJDWHSNPQ-SFHVURJKSA-N 1 1 399.853 4.223 20 0 GIADMO Cc1c(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455487510 822664241 /nfs/dbraw/zinc/66/42/41/822664241.db2.gz JMXUKROKVVYXQI-MRXNPFEDSA-N 1 1 378.476 4.292 20 0 GIADMO Cc1cc(Br)cc(C)c1NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000048463503 822664541 /nfs/dbraw/zinc/66/45/41/822664541.db2.gz QEWBUQXXMMRIEC-CQSZACIVSA-N 1 1 380.286 4.083 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc(C(F)F)cc3)cc2)C[C@@H](C)O1 ZINC000184610455 822665476 /nfs/dbraw/zinc/66/54/76/822665476.db2.gz WYOYTRAEZHQPNN-HZPDHXFCSA-N 1 1 388.458 4.163 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)[C@H](C)C1 ZINC000180353468 822668830 /nfs/dbraw/zinc/66/88/30/822668830.db2.gz CMPRTUVLKFQKGL-KDOFPFPSSA-N 1 1 389.931 4.028 20 0 GIADMO COCCCOC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000180354340 822669058 /nfs/dbraw/zinc/66/90/58/822669058.db2.gz KTCXLDYWOROCBI-UHFFFAOYSA-N 1 1 376.722 4.120 20 0 GIADMO CC(Cl)(Cl)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000180360178 822670087 /nfs/dbraw/zinc/67/00/87/822670087.db2.gz UVXFCJPLZLWRGD-UHFFFAOYSA-N 1 1 384.134 4.268 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455540982 822672459 /nfs/dbraw/zinc/67/24/59/822672459.db2.gz MDHGTUZVSWKUPM-HOTGVXAUSA-N 1 1 389.421 4.090 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455563063 822675068 /nfs/dbraw/zinc/67/50/68/822675068.db2.gz IFPHSGRLLBVUCF-INIZCTEOSA-N 1 1 392.425 4.017 20 0 GIADMO COc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1C ZINC000455564853 822675375 /nfs/dbraw/zinc/67/53/75/822675375.db2.gz JFXVOJKFENQFPM-MJGOQNOKSA-N 1 1 397.519 4.044 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000455568607 822675948 /nfs/dbraw/zinc/67/59/48/822675948.db2.gz RNRZKXWJPHYKNL-CJNGLKHVSA-N 1 1 377.410 4.279 20 0 GIADMO Cc1cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nn1-c1ccc(C)cc1 ZINC000180409517 822676879 /nfs/dbraw/zinc/67/68/79/822676879.db2.gz VXUOGXNITVJMAZ-PZJWPPBQSA-N 1 1 394.563 4.216 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000048741627 822680503 /nfs/dbraw/zinc/68/05/03/822680503.db2.gz GMGYIDQJKCEJJI-UHFFFAOYSA-N 1 1 398.434 4.329 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000455601856 822682307 /nfs/dbraw/zinc/68/23/07/822682307.db2.gz DCCYBDBTKYMDAE-HSZRJFAPSA-N 1 1 377.532 4.218 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)cc1 ZINC000048786253 822683096 /nfs/dbraw/zinc/68/30/96/822683096.db2.gz OOXJIPYTFJFOIO-GFCCVEGCSA-N 1 1 378.266 4.080 20 0 GIADMO Cc1cccc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)n1 ZINC000048783975 822683106 /nfs/dbraw/zinc/68/31/06/822683106.db2.gz YQWBUWUYXUAAHM-UHFFFAOYSA-N 1 1 398.304 4.416 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000455607130 822683452 /nfs/dbraw/zinc/68/34/52/822683452.db2.gz IXEMRHOWIYSEQF-UHFFFAOYSA-N 1 1 397.485 4.469 20 0 GIADMO Cc1c(-c2cc(C[NH2+][C@@H](C)c3ccc(OCC4CC4)c(F)c3)on2)cnn1C ZINC000184733001 822683679 /nfs/dbraw/zinc/68/36/79/822683679.db2.gz UPZDNDFIYMVPBD-ZDUSSCGKSA-N 1 1 384.455 4.162 20 0 GIADMO COCC[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccccc1 ZINC000048811746 822684211 /nfs/dbraw/zinc/68/42/11/822684211.db2.gz UNUJRCDLNYKYIP-UHFFFAOYSA-N 1 1 380.460 4.088 20 0 GIADMO COCC[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccccc1 ZINC000048811746 822684212 /nfs/dbraw/zinc/68/42/12/822684212.db2.gz UNUJRCDLNYKYIP-UHFFFAOYSA-N 1 1 380.460 4.088 20 0 GIADMO COCc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000048826185 822684994 /nfs/dbraw/zinc/68/49/94/822684994.db2.gz RVFWQVDWGYBQCN-LJQANCHMSA-N 1 1 395.547 4.207 20 0 GIADMO CCOCc1ccccc1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000048828764 822685206 /nfs/dbraw/zinc/68/52/06/822685206.db2.gz KOUWBODMRNQLAJ-UHFFFAOYSA-N 1 1 383.536 4.063 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)F)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455623226 822685663 /nfs/dbraw/zinc/68/56/63/822685663.db2.gz MEJQPCHPKZBNKG-NJDAHSKKSA-N 1 1 399.485 4.156 20 0 GIADMO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1cc2c(cc1Br)OCCO2 ZINC000180472427 822687999 /nfs/dbraw/zinc/68/79/99/822687999.db2.gz LZLDFWCRMDHQBC-SNVBAGLBSA-N 1 1 383.673 4.120 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](c1ccccc1)C(F)F ZINC000455641014 822689351 /nfs/dbraw/zinc/68/93/51/822689351.db2.gz HFBHPVHBKKFWBO-NSISKUIASA-N 1 1 387.474 4.203 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000184783676 822690282 /nfs/dbraw/zinc/69/02/82/822690282.db2.gz PGCFNDPGXVVKII-SJORKVTESA-N 1 1 382.470 4.178 20 0 GIADMO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)n1 ZINC000184786705 822690716 /nfs/dbraw/zinc/69/07/16/822690716.db2.gz ANQBBRXWZSIZSD-LBPRGKRZSA-N 1 1 384.505 4.036 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2cccnc2Cl)cc(Br)c1OC ZINC000180507258 822693062 /nfs/dbraw/zinc/69/30/62/822693062.db2.gz AGRGBYQZLGEESV-JTQLQIEISA-N 1 1 385.689 4.366 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1)c1cccs1 ZINC000180507686 822693309 /nfs/dbraw/zinc/69/33/09/822693309.db2.gz AVXXMOQEUPFDML-HKUYNNGSSA-N 1 1 381.501 4.419 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000180509465 822693781 /nfs/dbraw/zinc/69/37/81/822693781.db2.gz LDERLUOPJFPYCW-FUHWJXTLSA-N 1 1 380.492 4.129 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000180509465 822693782 /nfs/dbraw/zinc/69/37/82/822693782.db2.gz LDERLUOPJFPYCW-FUHWJXTLSA-N 1 1 380.492 4.129 20 0 GIADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455665298 822695123 /nfs/dbraw/zinc/69/51/23/822695123.db2.gz OQSOVEGYZZRNPL-HXUWFJFHSA-N 1 1 381.520 4.223 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2O)C1 ZINC000180537123 822698280 /nfs/dbraw/zinc/69/82/80/822698280.db2.gz LSEIPBMOCTXGBG-GJZGRUSLSA-N 1 1 384.442 4.138 20 0 GIADMO CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000049442722 822700613 /nfs/dbraw/zinc/70/06/13/822700613.db2.gz NKAOKLUWJIXJIH-JTQLQIEISA-N 1 1 392.135 4.126 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049514590 822701281 /nfs/dbraw/zinc/70/12/81/822701281.db2.gz UICUXLUPBWYQEL-UHFFFAOYSA-N 1 1 387.483 4.286 20 0 GIADMO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180554754 822701419 /nfs/dbraw/zinc/70/14/19/822701419.db2.gz BYRQLWLAGGPITA-SFHVURJKSA-N 1 1 398.400 4.076 20 0 GIADMO Cc1ccc(-n2c(=O)c3ccccc3nc2SCC[C@H]2CCCC[N@@H+]2C)nc1 ZINC000049581451 822701838 /nfs/dbraw/zinc/70/18/38/822701838.db2.gz IUDBSNFDDLQPOZ-QGZVFWFLSA-N 1 1 394.544 4.056 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)COCCOc1ccccc1)C1CCCCC1 ZINC000049634755 822703223 /nfs/dbraw/zinc/70/32/23/822703223.db2.gz JQTZPIYAXZGEFS-UHFFFAOYSA-N 1 1 396.531 4.485 20 0 GIADMO Cc1cnc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)s1 ZINC000180575755 822705074 /nfs/dbraw/zinc/70/50/74/822705074.db2.gz IXAADSAQWAFGEU-UHFFFAOYSA-N 1 1 394.338 4.065 20 0 GIADMO Cc1cc(Cl)c(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1Cl ZINC000180598869 822708545 /nfs/dbraw/zinc/70/85/45/822708545.db2.gz ARMPEBZTWKYPJO-UHFFFAOYSA-N 1 1 388.339 4.124 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 ZINC000180600931 822709026 /nfs/dbraw/zinc/70/90/26/822709026.db2.gz CNQYWWASMFCHOO-AWEZNQCLSA-N 1 1 396.418 4.308 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc(Cl)c1OC ZINC000180600858 822709106 /nfs/dbraw/zinc/70/91/06/822709106.db2.gz YJTNXEWIBLXTSR-RDJZCZTQSA-N 1 1 379.884 4.428 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000049789749 822709433 /nfs/dbraw/zinc/70/94/33/822709433.db2.gz XKPDMRMJTZMUPL-BEFAXECRSA-N 1 1 389.927 4.354 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000049789536 822709450 /nfs/dbraw/zinc/70/94/50/822709450.db2.gz NKPVNFMJACOCIG-LPHOPBHVSA-N 1 1 395.503 4.447 20 0 GIADMO COC(=O)COc1ccc(C[N@@H+](C)Cn2ccc(=S)c3ccccc32)cc1 ZINC000184898324 822709598 /nfs/dbraw/zinc/70/95/98/822709598.db2.gz XSAVYRCAUAWTQP-UHFFFAOYSA-N 1 1 382.485 4.012 20 0 GIADMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C[C@@H]1n1ccnc1 ZINC000180607985 822711192 /nfs/dbraw/zinc/71/11/92/822711192.db2.gz MHXLCAVCWGFTOY-UXPWSPDFSA-N 1 1 389.927 4.177 20 0 GIADMO O=C(Nc1ccccc1OCCF)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000455722029 822713621 /nfs/dbraw/zinc/71/36/21/822713621.db2.gz ZVJJFUDMIAUQFH-IHWFROFDSA-N 1 1 397.494 4.352 20 0 GIADMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c(OC)c1OC ZINC000180619313 822713869 /nfs/dbraw/zinc/71/38/69/822713869.db2.gz RBMLOMABBKETLM-MSOLQXFVSA-N 1 1 389.492 4.174 20 0 GIADMO COc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c(OC)c1OC ZINC000180619331 822713885 /nfs/dbraw/zinc/71/38/85/822713885.db2.gz RBMLOMABBKETLM-ROUUACIJSA-N 1 1 389.492 4.174 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3cc(C(=O)OC)sc32)C[C@@H]1C ZINC000455724079 822713993 /nfs/dbraw/zinc/71/39/93/822713993.db2.gz ZSNFQNBFBKZRGF-DZGCQCFKSA-N 1 1 389.521 4.024 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1OCCF)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455727317 822715164 /nfs/dbraw/zinc/71/51/64/822715164.db2.gz WIFXEUMJFWFBSO-PKOBYXMFSA-N 1 1 385.483 4.067 20 0 GIADMO CCn1ncc2ccc(NC(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000050060383 822716860 /nfs/dbraw/zinc/71/68/60/822716860.db2.gz BPSNIGLJOAWLHU-INIZCTEOSA-N 1 1 397.548 4.151 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C[N@H+]1Cc1ccccc1 ZINC000455735551 822717016 /nfs/dbraw/zinc/71/70/16/822717016.db2.gz YDABLLGOSWKNDC-TZMCWYRMSA-N 1 1 398.454 4.032 20 0 GIADMO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184958702 822718560 /nfs/dbraw/zinc/71/85/60/822718560.db2.gz KTWYAKXLHSOSFB-NEPJUHHUSA-N 1 1 396.354 4.138 20 0 GIADMO CCCCNC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184961620 822718914 /nfs/dbraw/zinc/71/89/14/822718914.db2.gz RHDSQIINDJFXSK-LBPRGKRZSA-N 1 1 396.354 4.140 20 0 GIADMO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S ZINC000184978666 822720927 /nfs/dbraw/zinc/72/09/27/822720927.db2.gz XTUUHHMTDLGMTK-WBMJQRKESA-N 1 1 391.566 4.454 20 0 GIADMO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S ZINC000184978666 822720928 /nfs/dbraw/zinc/72/09/28/822720928.db2.gz XTUUHHMTDLGMTK-WBMJQRKESA-N 1 1 391.566 4.454 20 0 GIADMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](C)[C@H](C)c2ccccc2)c1 ZINC000050275367 822723497 /nfs/dbraw/zinc/72/34/97/822723497.db2.gz GJYHWMSMMCDXIG-DYESRHJHSA-N 1 1 382.504 4.060 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1ccccc1C(C)(F)F)[NH+](C)C ZINC000455784544 822726198 /nfs/dbraw/zinc/72/61/98/822726198.db2.gz CWXJYQIZICSXMN-KRWDZBQOSA-N 1 1 377.435 4.231 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cnn(CCC)c2C2CC2)CC1 ZINC000455830935 822733430 /nfs/dbraw/zinc/73/34/30/822733430.db2.gz NXLTZDMFKOBHFZ-UHFFFAOYSA-N 1 1 375.561 4.146 20 0 GIADMO CCCn1ncc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C1CC1 ZINC000455836608 822734253 /nfs/dbraw/zinc/73/42/53/822734253.db2.gz USFPBBBDQNVPDK-QFBILLFUSA-N 1 1 381.524 4.128 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000050629012 822735141 /nfs/dbraw/zinc/73/51/41/822735141.db2.gz DDFMPCOFUVFKSY-CQSZACIVSA-N 1 1 377.941 4.314 20 0 GIADMO O=C(NCCCCOCc1ccccc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000050689103 822736295 /nfs/dbraw/zinc/73/62/95/822736295.db2.gz CZKUJELERLXAJD-JOCHJYFZSA-N 1 1 398.522 4.151 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(CSCC)cc2)[C@H](C)C1 ZINC000455864399 822739272 /nfs/dbraw/zinc/73/92/72/822739272.db2.gz RAAQSCXTOVXVON-XLIONFOSSA-N 1 1 393.597 4.198 20 0 GIADMO CC(C)([NH2+]Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000050898792 822742500 /nfs/dbraw/zinc/74/25/00/822742500.db2.gz ITRLJMKCRZAUJY-UHFFFAOYSA-N 1 1 381.090 4.339 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133016 822747576 /nfs/dbraw/zinc/74/75/76/822747576.db2.gz MCMUYZSNORYVMV-OXFYSEKESA-N 1 1 387.911 4.162 20 0 GIADMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn(C)c2ccccc12 ZINC000185200163 822748655 /nfs/dbraw/zinc/74/86/55/822748655.db2.gz JUVBOGGVEIRPIO-ROUUACIJSA-N 1 1 395.572 4.372 20 0 GIADMO CC[C@H](C[N@H+](CC)Cn1nc(-c2ccccn2)n(C)c1=S)c1ccccc1 ZINC000185215180 822750171 /nfs/dbraw/zinc/75/01/71/822750171.db2.gz SCXAXRLQQYPETI-QGZVFWFLSA-N 1 1 381.549 4.486 20 0 GIADMO CC[C@H](C[N@@H+](CC)Cn1nc(-c2ccccn2)n(C)c1=S)c1ccccc1 ZINC000185215180 822750172 /nfs/dbraw/zinc/75/01/72/822750172.db2.gz SCXAXRLQQYPETI-QGZVFWFLSA-N 1 1 381.549 4.486 20 0 GIADMO Cc1oc2ccccc2c1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000185226810 822751922 /nfs/dbraw/zinc/75/19/22/822751922.db2.gz PIOVMDSYJFSGSS-UHFFFAOYSA-N 1 1 384.426 4.414 20 0 GIADMO Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@@H](C)c3nc4ccccc4s3)c2cc1C ZINC000051286578 822754492 /nfs/dbraw/zinc/75/44/92/822754492.db2.gz GEMTXHINKGSQPC-DLBZAZTESA-N 1 1 394.544 4.317 20 0 GIADMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1F ZINC000185256111 822755399 /nfs/dbraw/zinc/75/53/99/822755399.db2.gz PPNCLJIEYGUKKY-JUYBDXISSA-N 1 1 377.525 4.443 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C2CC2)s1 ZINC000185272892 822757846 /nfs/dbraw/zinc/75/78/46/822757846.db2.gz SUVSKWDNPFCJLD-BTYIYWSLSA-N 1 1 383.561 4.248 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)s1 ZINC000185279331 822758700 /nfs/dbraw/zinc/75/87/00/822758700.db2.gz BGTSVQFZXXRSIT-HNAYVOBHSA-N 1 1 384.549 4.120 20 0 GIADMO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cc(Cl)sc1Cl ZINC000185282029 822759188 /nfs/dbraw/zinc/75/91/88/822759188.db2.gz OAJCBTZWGFQAQY-JTQLQIEISA-N 1 1 390.311 4.276 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C2CC2)s1 ZINC000185296036 822761271 /nfs/dbraw/zinc/76/12/71/822761271.db2.gz KXCVHHJSHBXDLV-MEBBXXQBSA-N 1 1 390.509 4.268 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174276631 822761622 /nfs/dbraw/zinc/76/16/22/822761622.db2.gz DGBFTOPIBGQHDG-HFTRVMKXSA-N 1 1 386.565 4.304 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)[C@H](CO)CC(C)C)cs2)cc1OC ZINC000185315234 822764689 /nfs/dbraw/zinc/76/46/89/822764689.db2.gz FAIIHWIUIFDNET-KRWDZBQOSA-N 1 1 378.538 4.056 20 0 GIADMO Cc1csc([C@@H](NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000174292676 822764837 /nfs/dbraw/zinc/76/48/37/822764837.db2.gz OVWAWJBOZUYOHB-PMACEKPBSA-N 1 1 398.576 4.209 20 0 GIADMO CC[N@@H+](CCNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)CCC(F)(F)F ZINC000456017831 822767003 /nfs/dbraw/zinc/76/70/03/822767003.db2.gz DQAVHFFDZKDPOI-LBPRGKRZSA-N 1 1 384.364 4.357 20 0 GIADMO C[C@H](CCOc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000174305903 822768120 /nfs/dbraw/zinc/76/81/20/822768120.db2.gz WXKDCTQNRCNLRF-SNWXZZBVSA-N 1 1 392.543 4.403 20 0 GIADMO CC(C)(C)Oc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000174322376 822770689 /nfs/dbraw/zinc/77/06/89/822770689.db2.gz YCZFEMUAXSHTEB-KRWDZBQOSA-N 1 1 380.410 4.199 20 0 GIADMO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185360431 822771450 /nfs/dbraw/zinc/77/14/50/822771450.db2.gz PYGXOQFLXSLQCI-YVEFUNNKSA-N 1 1 397.500 4.468 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(COC(C)C)c2)cc1 ZINC000051649540 822771610 /nfs/dbraw/zinc/77/16/10/822771610.db2.gz GTGYAJXKEVHNLG-QHCPKHFHSA-N 1 1 396.531 4.074 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)C2CC2)s1 ZINC000185366057 822772551 /nfs/dbraw/zinc/77/25/51/822772551.db2.gz DPVOTONJIYHLAF-XHDPSFHLSA-N 1 1 381.448 4.121 20 0 GIADMO CC(C)[C@@H]1C[N@H+](Cc2nnc(-c3ccccc3Br)o2)CCS1 ZINC000174334483 822773123 /nfs/dbraw/zinc/77/31/23/822773123.db2.gz FQGQFKCREYTHFZ-AWEZNQCLSA-N 1 1 382.327 4.073 20 0 GIADMO CC(C)[C@@H]1C[N@@H+](Cc2nnc(-c3ccccc3Br)o2)CCS1 ZINC000174334483 822773125 /nfs/dbraw/zinc/77/31/25/822773125.db2.gz 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Cn1cc([C@H]([NH2+]C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c2ccc(F)cc2)cn1 ZINC000185410627 822780206 /nfs/dbraw/zinc/78/02/06/822780206.db2.gz JKSNFYYLGYJGMV-PZJWPPBQSA-N 1 1 398.869 4.085 20 0 GIADMO Cn1cc([C@@H]([NH2+]C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c2ccc(F)cc2)cn1 ZINC000185410648 822780305 /nfs/dbraw/zinc/78/03/05/822780305.db2.gz JKSNFYYLGYJGMV-FPOVZHCZSA-N 1 1 398.869 4.085 20 0 GIADMO CCO[C@H](C)c1nc(C[N@@H+](CC)CC2CCN(c3ccccn3)CC2)cs1 ZINC000174389768 822782429 /nfs/dbraw/zinc/78/24/29/822782429.db2.gz FQQQPCJKHDOXGB-QGZVFWFLSA-N 1 1 388.581 4.374 20 0 GIADMO CN(Cc1ncc(-c2ccccc2F)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174395965 822783707 /nfs/dbraw/zinc/78/37/07/822783707.db2.gz IGEOATDPLITCAK-LJQANCHMSA-N 1 1 379.479 4.435 20 0 GIADMO NC(=O)c1csc(C[NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1 ZINC000185441350 822784338 /nfs/dbraw/zinc/78/43/38/822784338.db2.gz UYSSKGPGTKVODR-HNNXBMFYSA-N 1 1 387.505 4.277 20 0 GIADMO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)o2)cc1 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CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000174987226 822864585 /nfs/dbraw/zinc/86/45/85/822864585.db2.gz RHMZOHJDOFJGPD-NPPFBWRTSA-N 1 1 393.531 4.189 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000174987226 822864587 /nfs/dbraw/zinc/86/45/87/822864587.db2.gz RHMZOHJDOFJGPD-NPPFBWRTSA-N 1 1 393.531 4.189 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(F)c(Br)c1 ZINC000054174381 822865927 /nfs/dbraw/zinc/86/59/27/822865927.db2.gz QWNMUFIBBSAQIF-UHFFFAOYSA-N 1 1 391.284 4.112 20 0 GIADMO COc1cccc(F)c1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000186259300 822866025 /nfs/dbraw/zinc/86/60/25/822866025.db2.gz XEOJHOLIQDRLSP-UHFFFAOYSA-N 1 1 385.483 4.007 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000054181755 822866375 /nfs/dbraw/zinc/86/63/75/822866375.db2.gz CPTYQNURRDXZEM-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000054181755 822866380 /nfs/dbraw/zinc/86/63/80/822866380.db2.gz CPTYQNURRDXZEM-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(N1CC[NH+](Cc2cccc3cccnc32)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000054193878 822867012 /nfs/dbraw/zinc/86/70/12/822867012.db2.gz QGOMFYIFOSYKOF-UHFFFAOYSA-N 1 1 389.543 4.095 20 0 GIADMO COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000568985725 822867582 /nfs/dbraw/zinc/86/75/82/822867582.db2.gz FWTPXARROULFBQ-LJQANCHMSA-N 1 1 392.421 4.120 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H](c3cccnc3)C2)c1 ZINC000568988037 822867649 /nfs/dbraw/zinc/86/76/49/822867649.db2.gz MTASBOSRRONDRE-DEOSSOPVSA-N 1 1 385.511 4.343 20 0 GIADMO C[C@H]1CCN(C(=O)C[NH2+]C2(c3nccs3)CCCC2)c2ccccc2S1 ZINC000175015407 822867752 /nfs/dbraw/zinc/86/77/52/822867752.db2.gz KVETTYIZQLRHQN-HNNXBMFYSA-N 1 1 387.574 4.420 20 0 GIADMO COCC[N@@H+](CCOc1ccc(Cl)cc1Br)Cc1ccccn1 ZINC000568993832 822867988 /nfs/dbraw/zinc/86/79/88/822867988.db2.gz BJQLKWPHJZGSHG-UHFFFAOYSA-N 1 1 399.716 4.025 20 0 GIADMO CCc1cc2c(C[NH2+]C3(c4nc(C)cs4)CCCC3)cc(=O)oc2cc1O ZINC000175019818 822868591 /nfs/dbraw/zinc/86/85/91/822868591.db2.gz PUIZXOJJGWCJQA-UHFFFAOYSA-N 1 1 384.501 4.385 20 0 GIADMO CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000569006102 822868974 /nfs/dbraw/zinc/86/89/74/822868974.db2.gz IZGHXKMROAHTFE-LJQANCHMSA-N 1 1 396.583 4.149 20 0 GIADMO COc1ccc2oc(C)c(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2c1 ZINC000054222915 822869019 /nfs/dbraw/zinc/86/90/19/822869019.db2.gz NUNSHSWBMHVBEY-MAUKXSAKSA-N 1 1 378.472 4.315 20 0 GIADMO C[C@H]1C[C@@H](CCNC(=O)Nc2cc(C3CC3)ccn2)C[N@H+]1Cc1ccccc1 ZINC000569010756 822869277 /nfs/dbraw/zinc/86/92/77/822869277.db2.gz QSKGOUIWIFMEMU-PKOBYXMFSA-N 1 1 378.520 4.381 20 0 GIADMO C[C@H]1C[C@H](CCNC(=O)Nc2cc(C3CC3)ccn2)C[N@H+]1Cc1ccccc1 ZINC000569010753 822869312 /nfs/dbraw/zinc/86/93/12/822869312.db2.gz QSKGOUIWIFMEMU-HKUYNNGSSA-N 1 1 378.520 4.381 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000054222956 822869358 /nfs/dbraw/zinc/86/93/58/822869358.db2.gz BTICPGMJDCADPD-APWZRJJASA-N 1 1 380.536 4.081 20 0 GIADMO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000175028286 822870743 /nfs/dbraw/zinc/87/07/43/822870743.db2.gz DKKAKWMXMDIINE-UZLBHIALSA-N 1 1 396.535 4.443 20 0 GIADMO O=S1(=O)CC[C@H]([NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)c2ccccc21 ZINC000186287858 822871046 /nfs/dbraw/zinc/87/10/46/822871046.db2.gz FCFFKWVXPZIWTJ-OALUTQOASA-N 1 1 383.513 4.331 20 0 GIADMO C[N@@H+](CCNC(=O)c1ccccc1SCc1cscn1)Cc1ccccc1 ZINC000054265631 822871762 /nfs/dbraw/zinc/87/17/62/822871762.db2.gz ADQCDKBXFDDABQ-UHFFFAOYSA-N 1 1 397.569 4.297 20 0 GIADMO C[C@H](CC(F)(F)F)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000457397808 822872751 /nfs/dbraw/zinc/87/27/51/822872751.db2.gz ILGSHFFZMRRLDR-CYBMUJFWSA-N 1 1 396.375 4.328 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000569047069 822873402 /nfs/dbraw/zinc/87/34/02/822873402.db2.gz NPDLRGCABHQJDJ-ICSRJNTNSA-N 1 1 385.504 4.325 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2-n2cccn2)[C@@H]1c1cccs1 ZINC000175048782 822873455 /nfs/dbraw/zinc/87/34/55/822873455.db2.gz CYGACKOMIZIEPM-OXQOHEQNSA-N 1 1 395.532 4.138 20 0 GIADMO O=c1c2c(ncn1CCCc1ccccc1Cl)C[N@@H+](Cc1ccccc1)CC2 ZINC000569048761 822873559 /nfs/dbraw/zinc/87/35/59/822873559.db2.gz TVONDQKVNJSDSD-UHFFFAOYSA-N 1 1 393.918 4.088 20 0 GIADMO O=c1c2c(ncn1CCCc1ccccc1Cl)C[N@H+](Cc1ccccc1)CC2 ZINC000569048761 822873564 /nfs/dbraw/zinc/87/35/64/822873564.db2.gz TVONDQKVNJSDSD-UHFFFAOYSA-N 1 1 393.918 4.088 20 0 GIADMO CCN(C(=O)c1oc(-c2ccccc2)nc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186310212 822874437 /nfs/dbraw/zinc/87/44/37/822874437.db2.gz PTTRJPIMOVRFCR-OAQYLSRUSA-N 1 1 389.499 4.387 20 0 GIADMO COc1cc(C[N@@H+](C)CCCc2cnn(C)c2)ccc1OCc1ccccc1 ZINC000054315732 822875824 /nfs/dbraw/zinc/87/58/24/822875824.db2.gz PFBXWNCSKDJLDL-UHFFFAOYSA-N 1 1 379.504 4.072 20 0 GIADMO O=C(CN1CCC[N@@H+](CC2CCCCC2)CC1)Nc1ccc(F)cc1Cl ZINC000054318538 822875982 /nfs/dbraw/zinc/87/59/82/822875982.db2.gz VINFLFPQLRWVFM-UHFFFAOYSA-N 1 1 381.923 4.006 20 0 GIADMO CC[C@@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1nc(C)cs1 ZINC000186330407 822876907 /nfs/dbraw/zinc/87/69/07/822876907.db2.gz JBESQFIMYYGPJT-MOPGFXCFSA-N 1 1 386.565 4.112 20 0 GIADMO CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H](C)c1ccc(F)cc1 ZINC000054340872 822877149 /nfs/dbraw/zinc/87/71/49/822877149.db2.gz VPYMBVIQLSDPTI-AWEZNQCLSA-N 1 1 385.439 4.476 20 0 GIADMO CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H](C)c1ccc(F)cc1 ZINC000054340872 822877153 /nfs/dbraw/zinc/87/71/53/822877153.db2.gz VPYMBVIQLSDPTI-AWEZNQCLSA-N 1 1 385.439 4.476 20 0 GIADMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000054347770 822877475 /nfs/dbraw/zinc/87/74/75/822877475.db2.gz NYKOSSNQFDMGMX-UHFFFAOYSA-N 1 1 382.316 4.393 20 0 GIADMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000054347770 822877479 /nfs/dbraw/zinc/87/74/79/822877479.db2.gz NYKOSSNQFDMGMX-UHFFFAOYSA-N 1 1 382.316 4.393 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000054352172 822877818 /nfs/dbraw/zinc/87/78/18/822877818.db2.gz MJQDEHYIDXNIST-UHFFFAOYSA-N 1 1 386.455 4.334 20 0 GIADMO CC(C)Nc1ncccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175083790 822879365 /nfs/dbraw/zinc/87/93/65/822879365.db2.gz UJAQZPDAJKNJHD-ICSRJNTNSA-N 1 1 380.536 4.027 20 0 GIADMO CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054384439 822880323 /nfs/dbraw/zinc/88/03/23/822880323.db2.gz SLZPLLIUMGXNNB-LAUBAEHRSA-N 1 1 394.519 4.238 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N1CC(C)(C)[C@H]1c1ccncc1)c1ccccc1Cl ZINC000457492054 822881466 /nfs/dbraw/zinc/88/14/66/822881466.db2.gz WABJLBQOGUIKBE-RBUKOAKNSA-N 1 1 386.927 4.130 20 0 GIADMO CC(C)c1noc([C@H](C)[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)n1 ZINC000054392925 822881605 /nfs/dbraw/zinc/88/16/05/822881605.db2.gz PWYLCQKMZAZBDM-HNNXBMFYSA-N 1 1 385.487 4.358 20 0 GIADMO CC(C)c1noc([C@H](C)[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)n1 ZINC000054392925 822881611 /nfs/dbraw/zinc/88/16/11/822881611.db2.gz PWYLCQKMZAZBDM-HNNXBMFYSA-N 1 1 385.487 4.358 20 0 GIADMO CCc1noc(-c2ccc(C)c(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c2)n1 ZINC000175100508 822882233 /nfs/dbraw/zinc/88/22/33/822882233.db2.gz MTVHFISSUWCAPV-QGZVFWFLSA-N 1 1 382.508 4.201 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000054417865 822883446 /nfs/dbraw/zinc/88/34/46/822883446.db2.gz INUOUCKNCHJTFD-NRFANRHFSA-N 1 1 393.535 4.191 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1 ZINC000054423953 822883668 /nfs/dbraw/zinc/88/36/68/822883668.db2.gz AWPRJUYOWIYXSC-UHFFFAOYSA-N 1 1 376.504 4.340 20 0 GIADMO CCC[N@@H+](CCC(=O)Nc1ccccc1SC)CC(=O)Nc1ccccc1C ZINC000054425461 822883810 /nfs/dbraw/zinc/88/38/10/822883810.db2.gz XOHLPDVHPBUECG-UHFFFAOYSA-N 1 1 399.560 4.396 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(/C=C/c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000569153958 822884976 /nfs/dbraw/zinc/88/49/76/822884976.db2.gz AUSLMKIUUOIRSW-XDWWLABZSA-N 1 1 379.382 4.185 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C/c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000569153958 822884980 /nfs/dbraw/zinc/88/49/80/822884980.db2.gz AUSLMKIUUOIRSW-XDWWLABZSA-N 1 1 379.382 4.185 20 0 GIADMO C[C@H](CC(F)(F)F)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000457528671 822886259 /nfs/dbraw/zinc/88/62/59/822886259.db2.gz KLTBBUXSFIXXCU-CQSZACIVSA-N 1 1 395.425 4.011 20 0 GIADMO COc1ccc([C@H](CN[C@H](C)c2csc(C(C)C)n2)[NH+](C)C)cc1OC ZINC000186393580 822887113 /nfs/dbraw/zinc/88/71/13/822887113.db2.gz MACHGWCASUBKOH-PBHICJAKSA-N 1 1 377.554 4.237 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2sc(C)cc2Br)C1 ZINC000457540723 822888157 /nfs/dbraw/zinc/88/81/57/822888157.db2.gz JGIXCTCXSHYCKH-LBPRGKRZSA-N 1 1 382.327 4.055 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000175134077 822889224 /nfs/dbraw/zinc/88/92/24/822889224.db2.gz QSHDKPSNUSIQJM-UHFFFAOYSA-N 1 1 379.464 4.289 20 0 GIADMO CCc1cnc(CN(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000569186017 822890353 /nfs/dbraw/zinc/89/03/53/822890353.db2.gz IYZNLJUYQSBTCE-QFIPXVFZSA-N 1 1 390.531 4.299 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)C2)C1 ZINC000457558447 822891136 /nfs/dbraw/zinc/89/11/36/822891136.db2.gz TWYBVCIVTIQXFU-QFBILLFUSA-N 1 1 379.957 4.004 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000054510015 822891485 /nfs/dbraw/zinc/89/14/85/822891485.db2.gz BTCCAIQCSUVQBO-KXBFYZLASA-N 1 1 375.513 4.008 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000054510932 822891518 /nfs/dbraw/zinc/89/15/18/822891518.db2.gz AUTKDWFYBCJLIV-MAUKXSAKSA-N 1 1 394.357 4.028 20 0 GIADMO CCCCOc1cccc(CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000175149982 822892488 /nfs/dbraw/zinc/89/24/88/822892488.db2.gz UXCKLMMGXUHBMF-UHFFFAOYSA-N 1 1 396.535 4.037 20 0 GIADMO Cc1[nH+]ccn1CC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000457605889 822896764 /nfs/dbraw/zinc/89/67/64/822896764.db2.gz RBCFLDQVEDVECF-UHFFFAOYSA-N 1 1 379.354 4.206 20 0 GIADMO COc1ccccc1-c1ccc(CN(C(=O)Cn2cc[nH+]c2C)C(C)C)cc1 ZINC000457609547 822896924 /nfs/dbraw/zinc/89/69/24/822896924.db2.gz UGIOLOZIRQMJGL-UHFFFAOYSA-N 1 1 377.488 4.304 20 0 GIADMO Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000175170902 822897194 /nfs/dbraw/zinc/89/71/94/822897194.db2.gz IAZSIEZCFIAHJF-GOSISDBHSA-N 1 1 389.499 4.387 20 0 GIADMO Cc1c(Cl)cncc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000457623548 822898172 /nfs/dbraw/zinc/89/81/72/822898172.db2.gz WUBUMPSAIFQPSI-QFIPXVFZSA-N 1 1 383.923 4.172 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000054606341 822898489 /nfs/dbraw/zinc/89/84/89/822898489.db2.gz NOMICXXUTCQSHH-LJQANCHMSA-N 1 1 395.894 4.180 20 0 GIADMO C[C@@H](Oc1ccccc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(F)(F)F ZINC000569268571 822898720 /nfs/dbraw/zinc/89/87/20/822898720.db2.gz JJFDDCICROCEFB-OAHLLOKOSA-N 1 1 399.457 4.498 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000054609006 822898841 /nfs/dbraw/zinc/89/88/41/822898841.db2.gz XHDYSOUZHSCWQW-OAQYLSRUSA-N 1 1 389.503 4.306 20 0 GIADMO CC[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000054609987 822898953 /nfs/dbraw/zinc/89/89/53/822898953.db2.gz SJTMCINASQSFQO-GOSISDBHSA-N 1 1 383.883 4.180 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000054620694 822899445 /nfs/dbraw/zinc/89/94/45/822899445.db2.gz UHXJDMVUYSYSND-LBPRGKRZSA-N 1 1 388.924 4.343 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2sc3ccccc3c2Cl)cn1 ZINC000054626403 822900046 /nfs/dbraw/zinc/90/00/46/822900046.db2.gz JEOBFMNSXSBBEL-UHFFFAOYSA-N 1 1 382.876 4.374 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000054625445 822900068 /nfs/dbraw/zinc/90/00/68/822900068.db2.gz WTXKDYDLAXZRKE-SNVBAGLBSA-N 1 1 393.331 4.295 20 0 GIADMO CC[C@H](C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1ccccc1 ZINC000569280460 822900646 /nfs/dbraw/zinc/90/06/46/822900646.db2.gz NKNJLHAJMKEWCR-YLJYHZDGSA-N 1 1 377.488 4.429 20 0 GIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)c3c(C)cccc3C)CC2)c1C ZINC000175190826 822901070 /nfs/dbraw/zinc/90/10/70/822901070.db2.gz SDXPOUDWODAWEH-UHFFFAOYSA-N 1 1 395.547 4.060 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000569282085 822901111 /nfs/dbraw/zinc/90/11/11/822901111.db2.gz VHZZAGMWHZNNTD-DYESRHJHSA-N 1 1 394.519 4.210 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175190771 822901139 /nfs/dbraw/zinc/90/11/39/822901139.db2.gz TUGCVRWZGLHXGG-IEBWSBKVSA-N 1 1 399.510 4.059 20 0 GIADMO Cc1ccccc1Oc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000457654129 822901994 /nfs/dbraw/zinc/90/19/94/822901994.db2.gz BQCUDBOPWOWPCF-PGRDOPGGSA-N 1 1 391.515 4.271 20 0 GIADMO Cc1ccc2c(C[NH+]3CCC(O)(c4c(F)cccc4F)CC3)cc(=O)oc2c1C ZINC000186484335 822902889 /nfs/dbraw/zinc/90/28/89/822902889.db2.gz WVZGKDOOLZLBFT-UHFFFAOYSA-N 1 1 399.437 4.172 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cncc(F)c1 ZINC000457667126 822903761 /nfs/dbraw/zinc/90/37/61/822903761.db2.gz WAWSZQDGRNMQJP-SJORKVTESA-N 1 1 384.499 4.013 20 0 GIADMO Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2)cc1 ZINC000457669070 822903996 /nfs/dbraw/zinc/90/39/96/822903996.db2.gz KMYLCIJHBAAJCR-MBSDFSHPSA-N 1 1 391.515 4.271 20 0 GIADMO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000457688407 822906828 /nfs/dbraw/zinc/90/68/28/822906828.db2.gz VHKWOWXEOLWXRP-OPAMFIHVSA-N 1 1 395.478 4.102 20 0 GIADMO COc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1F ZINC000054718046 822907351 /nfs/dbraw/zinc/90/73/51/822907351.db2.gz YLSLRXITLDOBIB-FCEWJHQRSA-N 1 1 385.483 4.030 20 0 GIADMO C[C@@H](CCNC(=O)NCc1coc(-c2cccs2)n1)[N@@H+](C)Cc1ccccc1 ZINC000175219101 822907428 /nfs/dbraw/zinc/90/74/28/822907428.db2.gz FMRSTOFQKVWSFV-INIZCTEOSA-N 1 1 398.532 4.113 20 0 GIADMO O=C(NCC1(CCOCc2ccccc2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000186521481 822907884 /nfs/dbraw/zinc/90/78/84/822907884.db2.gz GVMVTGLCFRKTOS-OAQYLSRUSA-N 1 1 384.564 4.144 20 0 GIADMO Cc1cccc(-c2noc(C[NH2+][C@H]3CCN(C)[C@H]3c3ccc(Cl)cc3)n2)c1 ZINC000569341888 822909353 /nfs/dbraw/zinc/90/93/53/822909353.db2.gz WYEWLSCBMDOIIP-ICSRJNTNSA-N 1 1 382.895 4.233 20 0 GIADMO CCOc1cc(F)ccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175228971 822909560 /nfs/dbraw/zinc/90/95/60/822909560.db2.gz AEHVBMBKHQMAFF-SFHVURJKSA-N 1 1 385.483 4.210 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cnccc2C(F)(F)F)CC1 ZINC000569353276 822910531 /nfs/dbraw/zinc/91/05/31/822910531.db2.gz OEWJGRIRFMJXEA-OAHLLOKOSA-N 1 1 383.458 4.217 20 0 GIADMO CCN(C(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C)[C@H](C)c1ccc(F)cc1 ZINC000186553890 822912364 /nfs/dbraw/zinc/91/23/64/822912364.db2.gz FYPLTAHOFAIJQW-MRXNPFEDSA-N 1 1 396.510 4.147 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(-c4ncccn4)n3)cc2)C1 ZINC000054794201 822913589 /nfs/dbraw/zinc/91/35/89/822913589.db2.gz WVVFBYABVIDBKK-OAHLLOKOSA-N 1 1 393.516 4.084 20 0 GIADMO COc1ccc([C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c2ccco2)cc1 ZINC000457752313 822914797 /nfs/dbraw/zinc/91/47/97/822914797.db2.gz XCPZTNMDMSDOGV-GCJKJVERSA-N 1 1 399.535 4.331 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186575833 822916221 /nfs/dbraw/zinc/91/62/21/822916221.db2.gz YENRBZVGJHVBAB-UHFFFAOYSA-N 1 1 378.520 4.469 20 0 GIADMO CCn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1=S ZINC000175265457 822919088 /nfs/dbraw/zinc/91/90/88/822919088.db2.gz MIABFLNPPOGOKY-LPHOPBHVSA-N 1 1 379.533 4.331 20 0 GIADMO CCn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1=S ZINC000175265457 822919091 /nfs/dbraw/zinc/91/90/91/822919091.db2.gz MIABFLNPPOGOKY-LPHOPBHVSA-N 1 1 379.533 4.331 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000457785809 822919291 /nfs/dbraw/zinc/91/92/91/822919291.db2.gz LQQCVQFOHBHDLP-XZOQPEGZSA-N 1 1 375.516 4.048 20 0 GIADMO O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000457785952 822919373 /nfs/dbraw/zinc/91/93/73/822919373.db2.gz MBFFKXFBJKGSRG-RNQOJCNYSA-N 1 1 375.944 4.292 20 0 GIADMO COc1cc(Cc2noc([C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)ccc1C ZINC000569417182 822919801 /nfs/dbraw/zinc/91/98/01/822919801.db2.gz YEIZSGVVJZPKSZ-HUUCEWRRSA-N 1 1 397.441 4.354 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)cc(F)cc1F ZINC000175268695 822920043 /nfs/dbraw/zinc/92/00/43/822920043.db2.gz RMNGEUHXHMRALW-MRXNPFEDSA-N 1 1 376.422 4.088 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000569417901 822920082 /nfs/dbraw/zinc/92/00/82/822920082.db2.gz GNVRIQIJUFDADG-JTQLQIEISA-N 1 1 379.701 4.092 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000457802468 822920739 /nfs/dbraw/zinc/92/07/39/822920739.db2.gz XHMMZCOCNIVIJY-SESVDKBCSA-N 1 1 386.486 4.452 20 0 GIADMO CCOc1cc(C)ccc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175273582 822921389 /nfs/dbraw/zinc/92/13/89/822921389.db2.gz UJARWJPSHBJZIU-HXUWFJFHSA-N 1 1 381.520 4.380 20 0 GIADMO Cc1cccc(-c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)n2C(C)C)n1 ZINC000569428066 822921608 /nfs/dbraw/zinc/92/16/08/822921608.db2.gz BWSSRBYYPBEJDA-UXHICEINSA-N 1 1 396.583 4.320 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)C2)C1 ZINC000457820939 822922745 /nfs/dbraw/zinc/92/27/45/822922745.db2.gz LYCOPJJMMAEKFR-OAQYLSRUSA-N 1 1 385.895 4.085 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000175283153 822923970 /nfs/dbraw/zinc/92/39/70/822923970.db2.gz XTURNPWOHIAKNM-HXUWFJFHSA-N 1 1 380.507 4.228 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)c(Br)c1OC ZINC000569470733 822927198 /nfs/dbraw/zinc/92/71/98/822927198.db2.gz NWFZTCPWWFEVPH-CQSZACIVSA-N 1 1 391.309 4.159 20 0 GIADMO C/C=C\c1ccc(OC[C@@H](O)C[NH2+]Cc2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000569474415 822927280 /nfs/dbraw/zinc/92/72/80/822927280.db2.gz DMGDQAFRFCAGOO-WLMCBFPDSA-N 1 1 390.549 4.012 20 0 GIADMO CC1(C)CC[N@@H+](CC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1 ZINC000569473680 822927340 /nfs/dbraw/zinc/92/73/40/822927340.db2.gz UAHOVAZVSDWIFA-LJQANCHMSA-N 1 1 398.469 4.021 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000569501145 822930379 /nfs/dbraw/zinc/93/03/79/822930379.db2.gz YYQVVBGXFUAASJ-GFCCVEGCSA-N 1 1 395.272 4.195 20 0 GIADMO CCOc1cc2c(cc1NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)OCCO2 ZINC000186662377 822932097 /nfs/dbraw/zinc/93/20/97/822932097.db2.gz IUUGATMBXVSKFN-UHFFFAOYSA-N 1 1 398.503 4.339 20 0 GIADMO FC(F)(F)c1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC000569511735 822932371 /nfs/dbraw/zinc/93/23/71/822932371.db2.gz JWBFQGCZBFICJL-ACDBMABISA-N 1 1 389.465 4.428 20 0 GIADMO O[C@H](C1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)CC1)C(F)(F)F ZINC000569526361 822934452 /nfs/dbraw/zinc/93/44/52/822934452.db2.gz MERKGDVBFKQAGK-QGZVFWFLSA-N 1 1 375.337 4.360 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000569560694 822940077 /nfs/dbraw/zinc/94/00/77/822940077.db2.gz IIWXVPBXELHIKF-IRLDBZIGSA-N 1 1 380.488 4.369 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000569560694 822940079 /nfs/dbraw/zinc/94/00/79/822940079.db2.gz IIWXVPBXELHIKF-IRLDBZIGSA-N 1 1 380.488 4.369 20 0 GIADMO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1-c1ncco1 ZINC000569561833 822940211 /nfs/dbraw/zinc/94/02/11/822940211.db2.gz KIUUCCNIOQFSAT-WOJBJXKFSA-N 1 1 376.460 4.217 20 0 GIADMO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)Nc1nc(-c2ccccc2)cs1 ZINC000569562308 822940503 /nfs/dbraw/zinc/94/05/03/822940503.db2.gz IEYNEQBMENVBEJ-UHFFFAOYSA-N 1 1 393.512 4.334 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000055152636 822941498 /nfs/dbraw/zinc/94/14/98/822941498.db2.gz UYWFAXJTLIOXKM-RYUDHWBXSA-N 1 1 380.847 4.174 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000569588102 822942637 /nfs/dbraw/zinc/94/26/37/822942637.db2.gz BOAYQRCPTCZINR-TWMKSMIVSA-N 1 1 387.499 4.013 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000569588102 822942641 /nfs/dbraw/zinc/94/26/41/822942641.db2.gz BOAYQRCPTCZINR-TWMKSMIVSA-N 1 1 387.499 4.013 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@@H](C)Cc2cccc(F)c2)cc1F ZINC000457975818 822946835 /nfs/dbraw/zinc/94/68/35/822946835.db2.gz NHEYVMVVXRFSNU-HNNXBMFYSA-N 1 1 398.457 4.232 20 0 GIADMO CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)c1cccnc1 ZINC000175365390 822947646 /nfs/dbraw/zinc/94/76/46/822947646.db2.gz RTXWMPVSCCIAKW-QFIPXVFZSA-N 1 1 382.552 4.161 20 0 GIADMO FC(F)(F)c1nnc(N2CC[NH+](Cc3cc4ccccc4s3)CC2)s1 ZINC000186778022 822953995 /nfs/dbraw/zinc/95/39/95/822953995.db2.gz BAWLCWSDZNPMOP-UHFFFAOYSA-N 1 1 384.452 4.094 20 0 GIADMO [NH3+][C@@H](CNC(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000569677408 822954043 /nfs/dbraw/zinc/95/40/43/822954043.db2.gz JCKXVUKEPKCGPH-QFBILLFUSA-N 1 1 397.910 4.153 20 0 GIADMO CC(C)c1c(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cnn1-c1ccccc1 ZINC000569679687 822954404 /nfs/dbraw/zinc/95/44/04/822954404.db2.gz KOBSFVZZEHLFEY-GOSISDBHSA-N 1 1 395.551 4.334 20 0 GIADMO Oc1cc(C[NH2+]Cc2ccncc2OCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000569681577 822954991 /nfs/dbraw/zinc/95/49/91/822954991.db2.gz PXAZOMOULLLPKS-UHFFFAOYSA-N 1 1 380.288 4.037 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)[C@H](C(F)(F)F)C1 ZINC000569702660 822956907 /nfs/dbraw/zinc/95/69/07/822956907.db2.gz HVONICAWIYFKLQ-OAGGEKHMSA-N 1 1 398.469 4.314 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000569703306 822956945 /nfs/dbraw/zinc/95/69/45/822956945.db2.gz SEBVKZGFAXWSHL-SIKLNZKXSA-N 1 1 399.510 4.266 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186799788 822957399 /nfs/dbraw/zinc/95/73/99/822957399.db2.gz RGEQPHJGPHSBEP-UHFFFAOYSA-N 1 1 382.529 4.037 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000175400198 822959441 /nfs/dbraw/zinc/95/94/41/822959441.db2.gz YHILXZUDWDRJJB-HOCLYGCPSA-N 1 1 377.941 4.254 20 0 GIADMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569738804 822961532 /nfs/dbraw/zinc/96/15/32/822961532.db2.gz GMKAWURBISOZEZ-WMZOPIPTSA-N 1 1 379.529 4.338 20 0 GIADMO Cc1sc2[nH]c([C@H](C)[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)nc(=O)c2c1C ZINC000569744717 822962300 /nfs/dbraw/zinc/96/23/00/822962300.db2.gz IBTKDRNZJGIWCS-YOEHRIQHSA-N 1 1 394.544 4.212 20 0 GIADMO Cc1sc2[nH]c([C@H](C)[N@H+]3CCCN4c5ccccc5C[C@H]4C3)nc(=O)c2c1C ZINC000569744717 822962303 /nfs/dbraw/zinc/96/23/03/822962303.db2.gz IBTKDRNZJGIWCS-YOEHRIQHSA-N 1 1 394.544 4.212 20 0 GIADMO CCOc1c(OC)cc(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1OC ZINC000569750521 822963262 /nfs/dbraw/zinc/96/32/62/822963262.db2.gz DHOMQUHLYDRZRG-IBGZPJMESA-N 1 1 382.504 4.087 20 0 GIADMO COc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000186834832 822964215 /nfs/dbraw/zinc/96/42/15/822964215.db2.gz WBNHZXAFBNHNLR-AEFFLSMTSA-N 1 1 385.483 4.317 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000175421068 822964609 /nfs/dbraw/zinc/96/46/09/822964609.db2.gz FHWATEATDPGAGP-WHDAMIPWSA-N 1 1 396.915 4.238 20 0 GIADMO Cc1cc(NC(=O)CC[N@@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)no1 ZINC000186853042 822967878 /nfs/dbraw/zinc/96/78/78/822967878.db2.gz PGIXXHXLWWSRFI-HNNXBMFYSA-N 1 1 399.438 4.121 20 0 GIADMO Cc1cc(NC(=O)CC[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)no1 ZINC000186853042 822967880 /nfs/dbraw/zinc/96/78/80/822967880.db2.gz PGIXXHXLWWSRFI-HNNXBMFYSA-N 1 1 399.438 4.121 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000186860052 822969751 /nfs/dbraw/zinc/96/97/51/822969751.db2.gz HRHSIRPTVDDGEE-DZFGPLHGSA-N 1 1 380.536 4.403 20 0 GIADMO CCN(Cc1ccccc1Br)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000569837552 822974557 /nfs/dbraw/zinc/97/45/57/822974557.db2.gz ALFGOEACFAJGBP-CVEARBPZSA-N 1 1 396.373 4.101 20 0 GIADMO CC(C)([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(Cl)c1F ZINC000186889932 822975365 /nfs/dbraw/zinc/97/53/65/822975365.db2.gz HSYWUTLIKDARGX-UHFFFAOYSA-N 1 1 380.250 4.165 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C/c3cc(Cl)cc(Cl)c3)n1)OC2 ZINC000569855523 822976293 /nfs/dbraw/zinc/97/62/93/822976293.db2.gz CMALGLUTPJLUER-UIXCXIJASA-N 1 1 380.275 4.473 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C/c3cc(Cl)cc(Cl)c3)n1)OC2 ZINC000569855523 822976298 /nfs/dbraw/zinc/97/62/98/822976298.db2.gz CMALGLUTPJLUER-UIXCXIJASA-N 1 1 380.275 4.473 20 0 GIADMO CC[NH+](CC)[C@@H](c1nc(CCc2ccc3c(c2)CCO3)no1)c1ccccc1 ZINC000569854813 822976427 /nfs/dbraw/zinc/97/64/27/822976427.db2.gz RCSNOWIMCUODFQ-JOCHJYFZSA-N 1 1 377.488 4.221 20 0 GIADMO Clc1cccc(C[N@@H+](CCn2ccnc2)Cc2cccc(-n3cccn3)c2)c1 ZINC000569857942 822976859 /nfs/dbraw/zinc/97/68/59/822976859.db2.gz WUNQFWVFMPFRGX-UHFFFAOYSA-N 1 1 391.906 4.425 20 0 GIADMO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ncc(Br)cc1F ZINC000186907268 822978073 /nfs/dbraw/zinc/97/80/73/822978073.db2.gz BGGBCXPPBRRPTH-RDTXWAMCSA-N 1 1 392.316 4.471 20 0 GIADMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cccc(OC)c2OC(C)C)CC1 ZINC000569871111 822978793 /nfs/dbraw/zinc/97/87/93/822978793.db2.gz QMEJKPINURSCQT-UHFFFAOYSA-N 1 1 377.525 4.426 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000175479872 822978894 /nfs/dbraw/zinc/97/88/94/822978894.db2.gz PZHYPGWAPIOXBV-LJQANCHMSA-N 1 1 394.437 4.316 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000175479872 822978899 /nfs/dbraw/zinc/97/88/99/822978899.db2.gz PZHYPGWAPIOXBV-LJQANCHMSA-N 1 1 394.437 4.316 20 0 GIADMO CC[N@@H+](CCc1ccc2c(c1)CCO2)CC(=O)Nc1ccccc1C(F)(F)F ZINC000175479792 822978938 /nfs/dbraw/zinc/97/89/38/822978938.db2.gz FVUUOXNJHLMLJV-UHFFFAOYSA-N 1 1 392.421 4.143 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 ZINC000175483330 822980078 /nfs/dbraw/zinc/98/00/78/822980078.db2.gz LSJZETPQGBTFDF-MRXNPFEDSA-N 1 1 386.471 4.385 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cc1F)c1ccc2c(c1)OCCO2 ZINC000186930007 822982345 /nfs/dbraw/zinc/98/23/45/822982345.db2.gz PTYHVFNGFQBVKR-GHMZBOCLSA-N 1 1 381.245 4.166 20 0 GIADMO CO[C@@H]1C[C@H]([N@H+](C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C12CCC2 ZINC000569900411 822983269 /nfs/dbraw/zinc/98/32/69/822983269.db2.gz DDSZZVAAEFAFGH-ZWKOTPCHSA-N 1 1 395.528 4.453 20 0 GIADMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C12CCC2 ZINC000569900411 822983271 /nfs/dbraw/zinc/98/32/71/822983271.db2.gz DDSZZVAAEFAFGH-ZWKOTPCHSA-N 1 1 395.528 4.453 20 0 GIADMO OC1(Cc2cccc(F)c2)CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000186938719 822983704 /nfs/dbraw/zinc/98/37/04/822983704.db2.gz JIJOBNDILSSNDN-UHFFFAOYSA-N 1 1 384.426 4.189 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186942765 822984184 /nfs/dbraw/zinc/98/41/84/822984184.db2.gz GPCJBWFQDJUMQT-GOSISDBHSA-N 1 1 398.522 4.346 20 0 GIADMO CC[C@H](NC(=O)NCCCCn1cc[nH+]c1C)c1ccccc1OC(F)F ZINC000175508106 822986328 /nfs/dbraw/zinc/98/63/28/822986328.db2.gz SDKGWMIGNFHLJK-INIZCTEOSA-N 1 1 380.439 4.024 20 0 GIADMO Cc1nc(CCCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cs1 ZINC000175508997 822986599 /nfs/dbraw/zinc/98/65/99/822986599.db2.gz DWCMAWTWFQYHNK-KRWDZBQOSA-N 1 1 385.577 4.465 20 0 GIADMO CN(CCc1cccs1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000175515512 822988485 /nfs/dbraw/zinc/98/84/85/822988485.db2.gz KPICEVXTPYOUES-MAUKXSAKSA-N 1 1 377.579 4.077 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCOc3ccc(F)cc32)CC[N@H+]1Cc1ccccc1 ZINC000175521524 822990236 /nfs/dbraw/zinc/99/02/36/822990236.db2.gz KBIQSBRTXSSAGV-OZOXKJRCSA-N 1 1 397.494 4.002 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(CSCc3cccc(Cl)c3)n1)OC2 ZINC000569967762 822990942 /nfs/dbraw/zinc/99/09/42/822990942.db2.gz AUOSJYXQBFSYGM-CRAIPNDOSA-N 1 1 379.913 4.082 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc(CSCc3cccc(Cl)c3)n1)OC2 ZINC000569967762 822990944 /nfs/dbraw/zinc/99/09/44/822990944.db2.gz AUOSJYXQBFSYGM-CRAIPNDOSA-N 1 1 379.913 4.082 20 0 GIADMO O=C(c1ccccc1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531755 822992162 /nfs/dbraw/zinc/99/21/62/822992162.db2.gz RPFXUTOKHMQBBD-GOSISDBHSA-N 1 1 376.422 4.213 20 0 GIADMO O=C(c1ccsc1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534020 822992650 /nfs/dbraw/zinc/99/26/50/822992650.db2.gz MZQYOWFVOHYWMX-MRXNPFEDSA-N 1 1 382.451 4.275 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000175543446 822994051 /nfs/dbraw/zinc/99/40/51/822994051.db2.gz KJWHZWBVJKYYJI-DOMZBBRYSA-N 1 1 381.307 4.434 20 0 GIADMO COC[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000570004690 822995548 /nfs/dbraw/zinc/99/55/48/822995548.db2.gz JASCSEOVEUTOFC-SFTDATJTSA-N 1 1 386.923 4.153 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cc1)C(C)C ZINC000175551613 822995646 /nfs/dbraw/zinc/99/56/46/822995646.db2.gz BXNJTZICLUTXHJ-UHFFFAOYSA-N 1 1 385.483 4.010 20 0 GIADMO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000570010947 822996591 /nfs/dbraw/zinc/99/65/91/822996591.db2.gz MIGUVLWTFXDVED-OPAMFIHVSA-N 1 1 382.529 4.205 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000175571097 822999978 /nfs/dbraw/zinc/99/99/78/822999978.db2.gz YXAQBZPIBGONFE-LSDHHAIUSA-N 1 1 387.446 4.020 20 0 GIADMO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000570047490 823000756 /nfs/dbraw/zinc/00/07/56/823000756.db2.gz WZIUWFZIWBUETI-XUZZJYLKSA-N 1 1 395.522 4.057 20 0 GIADMO C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000570047491 823000792 /nfs/dbraw/zinc/00/07/92/823000792.db2.gz WZIUWFZIWBUETI-ZJSXRUAMSA-N 1 1 395.522 4.057 20 0 GIADMO CC[C@H](C)Oc1ccc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000175581492 823001843 /nfs/dbraw/zinc/00/18/43/823001843.db2.gz ZCKUMDFTINRTHX-KRWDZBQOSA-N 1 1 382.508 4.358 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cccc(C(=O)OC(C)(C)C)n1 ZINC000570062313 823001870 /nfs/dbraw/zinc/00/18/70/823001870.db2.gz WCQSUWAFYMZAGY-GOSISDBHSA-N 1 1 381.520 4.138 20 0 GIADMO C[N@H+](CCCc1ccccc1)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175583128 823002083 /nfs/dbraw/zinc/00/20/83/823002083.db2.gz XNJKJUZDXYXDFK-UHFFFAOYSA-N 1 1 379.529 4.138 20 0 GIADMO C[N@@H+](CCCc1ccccc1)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000175583128 823002087 /nfs/dbraw/zinc/00/20/87/823002087.db2.gz XNJKJUZDXYXDFK-UHFFFAOYSA-N 1 1 379.529 4.138 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ncc(Br)cc1F ZINC000187059291 823004995 /nfs/dbraw/zinc/00/49/95/823004995.db2.gz BDIAMZWMJGDPLR-LLVKDONJSA-N 1 1 393.235 4.159 20 0 GIADMO CC[C@@H](C(=O)N1CC(c2nc3ccccc3s2)C1)[N@@H+](C)Cc1ccccc1 ZINC000570092056 823005015 /nfs/dbraw/zinc/00/50/15/823005015.db2.gz DDBWBGLUDHZGBX-IBGZPJMESA-N 1 1 379.529 4.133 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1sc2ccccc2c1Br ZINC000570135209 823008985 /nfs/dbraw/zinc/00/89/85/823008985.db2.gz JYZZEISDLZCTQQ-QWHCGFSZSA-N 1 1 379.323 4.020 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000187088049 823008960 /nfs/dbraw/zinc/00/89/60/823008960.db2.gz LOVFLUPSCAHKHZ-CRAIPNDOSA-N 1 1 375.900 4.039 20 0 GIADMO CCOc1ccccc1CN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175629701 823009673 /nfs/dbraw/zinc/00/96/73/823009673.db2.gz ZPRICEQRDVSQLD-DENIHFKCSA-N 1 1 395.547 4.280 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N(C)CCc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175631384 823009819 /nfs/dbraw/zinc/00/98/19/823009819.db2.gz TWVWHXJEWCMMDV-XMSQKQJNSA-N 1 1 383.511 4.063 20 0 GIADMO COc1c(Br)cccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000187106402 823011250 /nfs/dbraw/zinc/01/12/50/823011250.db2.gz HOWBXBNOONGVCQ-HOCLYGCPSA-N 1 1 380.282 4.139 20 0 GIADMO COc1c(Br)cccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000187106402 823011254 /nfs/dbraw/zinc/01/12/54/823011254.db2.gz HOWBXBNOONGVCQ-HOCLYGCPSA-N 1 1 380.282 4.139 20 0 GIADMO O[C@@H](C[N@@H+](CCC(F)(F)F)CC1CC1)c1ccc(F)c(Br)c1 ZINC000187145769 823017359 /nfs/dbraw/zinc/01/73/59/823017359.db2.gz BOXJIFRINHCZQY-AWEZNQCLSA-N 1 1 384.211 4.286 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C)C1 ZINC000175673908 823017620 /nfs/dbraw/zinc/01/76/20/823017620.db2.gz CQGVVRORVSKHRX-OALUTQOASA-N 1 1 384.568 4.187 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1 ZINC000570239189 823017830 /nfs/dbraw/zinc/01/78/30/823017830.db2.gz XHZLZMCRCJXTRM-ICSRJNTNSA-N 1 1 382.552 4.006 20 0 GIADMO CCOc1ccc(NC(=O)NCCCCn2cc[nH+]c2C)c(C(F)(F)F)c1 ZINC000175679565 823018817 /nfs/dbraw/zinc/01/88/17/823018817.db2.gz FUDSHBITBLIJCR-UHFFFAOYSA-N 1 1 384.402 4.211 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC[N@H+]1C ZINC000175700459 823023160 /nfs/dbraw/zinc/02/31/60/823023160.db2.gz JCQYPVRTAUVKDA-DOTOQJQBSA-N 1 1 378.948 4.277 20 0 GIADMO CC[C@H](C(=O)N1CCC(c2c(C)[nH]c3ccccc32)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000570298273 823023419 /nfs/dbraw/zinc/02/34/19/823023419.db2.gz ZJQNYNDGUQBMOJ-DENIHFKCSA-N 1 1 397.563 4.072 20 0 GIADMO CC[C@H](C(=O)N1CCC(c2c(C)[nH]c3ccccc32)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000570298273 823023422 /nfs/dbraw/zinc/02/34/22/823023422.db2.gz ZJQNYNDGUQBMOJ-DENIHFKCSA-N 1 1 397.563 4.072 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCCO[C@@H](C(C)C)C3)c2)cc1 ZINC000570302401 823023797 /nfs/dbraw/zinc/02/37/97/823023797.db2.gz YAHRCLJQGQXTTM-JOCHJYFZSA-N 1 1 382.504 4.194 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000175708289 823024824 /nfs/dbraw/zinc/02/48/24/823024824.db2.gz MBPRZIBENZJHBS-IBGZPJMESA-N 1 1 395.551 4.150 20 0 GIADMO O[C@@H]([C@H]1CCC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1)C(F)(F)F ZINC000570358779 823028806 /nfs/dbraw/zinc/02/88/06/823028806.db2.gz NOHVETLIPPNXTJ-GTNSWQLSSA-N 1 1 375.337 4.360 20 0 GIADMO Cc1ccccc1C[C@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175740781 823030075 /nfs/dbraw/zinc/03/00/75/823030075.db2.gz GIZRNBAEMXNLPO-RBBKRZOGSA-N 1 1 379.548 4.090 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3CCCC(C)(C)C3)CC2)oc1C ZINC000570370792 823030531 /nfs/dbraw/zinc/03/05/31/823030531.db2.gz NANGNMWNZXRWKP-IBGZPJMESA-N 1 1 390.572 4.019 20 0 GIADMO Cc1ccsc1-c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1C(C)C ZINC000570405118 823033580 /nfs/dbraw/zinc/03/35/80/823033580.db2.gz ZRRLNALJLRPPNJ-UHFFFAOYSA-N 1 1 375.586 4.453 20 0 GIADMO C[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)Cc1cccs1 ZINC000175767195 823035182 /nfs/dbraw/zinc/03/51/82/823035182.db2.gz MXTVGFISWYIBPV-INIZCTEOSA-N 1 1 389.590 4.297 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@H](Cc2ccccc2)C1 ZINC000175769515 823035887 /nfs/dbraw/zinc/03/58/87/823035887.db2.gz FJDLGXSFOXOWRU-HXUWFJFHSA-N 1 1 395.572 4.332 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000055749796 823036566 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WTGREBMEJJFEOJ-IMFGXOCKSA-N 1 1 393.622 4.060 20 0 GIADMO CCc1ncsc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570468737 823041889 /nfs/dbraw/zinc/04/18/89/823041889.db2.gz ZNZNGRNBDVLITM-BLLLJJGKSA-N 1 1 396.919 4.313 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000187313508 823041976 /nfs/dbraw/zinc/04/19/76/823041976.db2.gz GOGCVIWQSSLICK-UHFFFAOYSA-N 1 1 399.844 4.492 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC[N@H+]1C ZINC000175802681 823043915 /nfs/dbraw/zinc/04/39/15/823043915.db2.gz DGCAIROLAUZWSQ-UZLBHIALSA-N 1 1 398.576 4.257 20 0 GIADMO Cc1cncc(/C=C/C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123850509 823545593 /nfs/dbraw/zinc/54/55/93/823545593.db2.gz XPGPWBJKBYOMKE-KVTPPLCQSA-N 1 1 387.886 4.005 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCSc2ccccc21 ZINC000460936604 823546250 /nfs/dbraw/zinc/54/62/50/823546250.db2.gz ZJJQBVOZVKVJNJ-QFBILLFUSA-N 1 1 386.586 4.356 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2CCc3ccc(Cl)cc3C2)cc1)[NH+]1CCOCC1 ZINC000123866520 823547494 /nfs/dbraw/zinc/54/74/94/823547494.db2.gz ISBXJWGRINKPNB-MRXNPFEDSA-N 1 1 399.922 4.323 20 0 GIADMO C[C@H]1C[C@@H](CCNC(=O)N2CCCc3occc3C2)C[N@H+]1Cc1ccccc1 ZINC000460948486 823548678 /nfs/dbraw/zinc/54/86/78/823548678.db2.gz WSIXUBVZSMPDID-AZUAARDMSA-N 1 1 381.520 4.038 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000123908835 823550921 /nfs/dbraw/zinc/55/09/21/823550921.db2.gz NDNMUWGJKRKYRD-UHFFFAOYSA-N 1 1 375.457 4.260 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460963671 823551718 /nfs/dbraw/zinc/55/17/18/823551718.db2.gz LTOWVSCNTVUPCU-SJORKVTESA-N 1 1 395.355 4.333 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460963671 823551721 /nfs/dbraw/zinc/55/17/21/823551721.db2.gz LTOWVSCNTVUPCU-SJORKVTESA-N 1 1 395.355 4.333 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCc2cc(Cl)cc(Cl)c2)cc1 ZINC000123941611 823553658 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823558605 /nfs/dbraw/zinc/55/86/05/823558605.db2.gz ZZQAFTRZOPCTJD-WXYCVUISSA-N 1 1 390.396 4.106 20 0 GIADMO CC[N@@H+](Cc1ccnc(N)c1)[C@H]1CCSc2ccc(Br)cc21 ZINC000411234602 823559429 /nfs/dbraw/zinc/55/94/29/823559429.db2.gz FRGRQHJOAYQLIY-HNNXBMFYSA-N 1 1 378.339 4.316 20 0 GIADMO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c21 ZINC000124017689 823560285 /nfs/dbraw/zinc/56/02/85/823560285.db2.gz PQYCOFZGMPZHIE-HUUCEWRRSA-N 1 1 396.491 4.161 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000124022683 823560848 /nfs/dbraw/zinc/56/08/48/823560848.db2.gz YDFSLCGFLZNHOV-UZLBHIALSA-N 1 1 386.923 4.474 20 0 GIADMO Cc1csc([C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C2CC2)n1 ZINC000461026047 823561317 /nfs/dbraw/zinc/56/13/17/823561317.db2.gz FLOVNBGNFOOMSH-MJGOQNOKSA-N 1 1 387.524 4.070 20 0 GIADMO Brc1cc(CNCC[NH+]2CCCC2)ccc1OCc1ccccc1 ZINC000060844457 823561486 /nfs/dbraw/zinc/56/14/86/823561486.db2.gz ARPKVCFCLONLLW-UHFFFAOYSA-N 1 1 389.337 4.214 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124057357 823563905 /nfs/dbraw/zinc/56/39/05/823563905.db2.gz UAUPFAOYDHGZNX-SJKOYZFVSA-N 1 1 395.471 4.321 20 0 GIADMO O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000124102447 823567826 /nfs/dbraw/zinc/56/78/26/823567826.db2.gz HAHAJXRYUKWABO-KSSFIOAISA-N 1 1 399.432 4.003 20 0 GIADMO COc1ccnc(C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000124124973 823569801 /nfs/dbraw/zinc/56/98/01/823569801.db2.gz KIRDPRYKKKYEJD-OAQYLSRUSA-N 1 1 376.435 4.110 20 0 GIADMO C[N@H+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)[C@H](c2ccccc2)C1 ZINC000411412535 823571484 /nfs/dbraw/zinc/57/14/84/823571484.db2.gz FCDJATYDLSHTTR-SFHVURJKSA-N 1 1 392.330 4.311 20 0 GIADMO CN1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@H](c2ccccc2)C1 ZINC000411412535 823571486 /nfs/dbraw/zinc/57/14/86/823571486.db2.gz FCDJATYDLSHTTR-SFHVURJKSA-N 1 1 392.330 4.311 20 0 GIADMO CN1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@H](c2ccccc2)C1 ZINC000411412535 823571488 /nfs/dbraw/zinc/57/14/88/823571488.db2.gz FCDJATYDLSHTTR-SFHVURJKSA-N 1 1 392.330 4.311 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(C3SCCS3)cc2)c1 ZINC000124153000 823572366 /nfs/dbraw/zinc/57/23/66/823572366.db2.gz BRNUVBZKBCASIL-UHFFFAOYSA-N 1 1 382.514 4.307 20 0 GIADMO O=C(CC[N@@H+](Cc1cccnc1)C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000411422206 823572393 /nfs/dbraw/zinc/57/23/93/823572393.db2.gz SRUQPVPUVRPEKW-UHFFFAOYSA-N 1 1 385.511 4.342 20 0 GIADMO O=C(CC[N@@H+](Cc1ccccn1)C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000411437605 823574176 /nfs/dbraw/zinc/57/41/76/823574176.db2.gz ABZYPVGEZHWWKN-UHFFFAOYSA-N 1 1 385.511 4.342 20 0 GIADMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1OC(C)C ZINC000124178572 823575071 /nfs/dbraw/zinc/57/50/71/823575071.db2.gz SNSPSZGIRVFROG-LJQANCHMSA-N 1 1 398.551 4.180 20 0 GIADMO Cc1cscc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000124183191 823575267 /nfs/dbraw/zinc/57/52/67/823575267.db2.gz PHLDLOOQJKBIQX-HNNXBMFYSA-N 1 1 383.439 4.471 20 0 GIADMO CC[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc2c(c1)OCCO2 ZINC000411453836 823576434 /nfs/dbraw/zinc/57/64/34/823576434.db2.gz JYSBVJZMWJTPDS-OAHLLOKOSA-N 1 1 385.851 4.001 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2[C@H](C)C2(F)F)cc1)C[C@H]1CCCCO1 ZINC000461101611 823577506 /nfs/dbraw/zinc/57/75/06/823577506.db2.gz SOHDYSCPEKEFQF-IPELMVKDSA-N 1 1 380.479 4.306 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N[C@H](C)c1cccs1 ZINC000190461274 823577734 /nfs/dbraw/zinc/57/77/34/823577734.db2.gz JEIDRHQLYWLLOR-VXGBXAGGSA-N 1 1 397.338 4.047 20 0 GIADMO CC(C)(C)n1nccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000190461994 823577773 /nfs/dbraw/zinc/57/77/73/823577773.db2.gz FSFDVOYRJUHRGE-UXHICEINSA-N 1 1 395.551 4.157 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1cccc(CCC(F)(F)F)c1 ZINC000124218308 823578379 /nfs/dbraw/zinc/57/83/79/823578379.db2.gz ZKMBOBQCDDZMJZ-UHFFFAOYSA-N 1 1 397.466 4.423 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)Nc1cccc(CCC(F)(F)F)c1 ZINC000124218308 823578381 /nfs/dbraw/zinc/57/83/81/823578381.db2.gz ZKMBOBQCDDZMJZ-UHFFFAOYSA-N 1 1 397.466 4.423 20 0 GIADMO COc1cc(NC(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)cc(OC)c1OC ZINC000461109470 823579184 /nfs/dbraw/zinc/57/91/84/823579184.db2.gz ICGILXQRSAUQIH-UHFFFAOYSA-N 1 1 396.447 4.159 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)Nc1ccc(Cl)cc1Cl ZINC000461111882 823579732 /nfs/dbraw/zinc/57/97/32/823579732.db2.gz LHVHIQNVMYVJQU-HNNXBMFYSA-N 1 1 380.275 4.204 20 0 GIADMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000190482051 823579796 /nfs/dbraw/zinc/57/97/96/823579796.db2.gz HZLKHXIPWNVJHQ-HNNXBMFYSA-N 1 1 381.476 4.034 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCc2ccccc2Cl)CC[N@H+]1C ZINC000124244063 823580609 /nfs/dbraw/zinc/58/06/09/823580609.db2.gz YTUDZVLXLMSXJN-WMZOPIPTSA-N 1 1 386.923 4.474 20 0 GIADMO CC(C)[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1nnc2ccccn21 ZINC000411490565 823581026 /nfs/dbraw/zinc/58/10/26/823581026.db2.gz OJRWDBLHNLHMTH-QFIPXVFZSA-N 1 1 377.536 4.202 20 0 GIADMO CC(C)[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1nc(C2CC2)no1 ZINC000411495647 823581333 /nfs/dbraw/zinc/58/13/33/823581333.db2.gz VZZMBTWLJXWDPO-MRXNPFEDSA-N 1 1 387.871 4.180 20 0 GIADMO CC(=O)Nc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc(C(F)(F)F)c1 ZINC000124267107 823582353 /nfs/dbraw/zinc/58/23/53/823582353.db2.gz CDWXJLRZEDHLEN-AWEZNQCLSA-N 1 1 399.457 4.048 20 0 GIADMO CC(C)(CC(F)F)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411516161 823583434 /nfs/dbraw/zinc/58/34/34/823583434.db2.gz BQVABAQCMMNBGJ-UHFFFAOYSA-N 1 1 392.412 4.467 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411521710 823584276 /nfs/dbraw/zinc/58/42/76/823584276.db2.gz BZNUVZNCHBUARQ-KBXCAEBGSA-N 1 1 388.309 4.256 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cn1 ZINC000124290762 823584412 /nfs/dbraw/zinc/58/44/12/823584412.db2.gz JOPOPPPLGSECPS-KRWDZBQOSA-N 1 1 376.504 4.194 20 0 GIADMO Brc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)o2)o1 ZINC000124300507 823585325 /nfs/dbraw/zinc/58/53/25/823585325.db2.gz NHKWBQIFSXEOFQ-AWEZNQCLSA-N 1 1 388.265 4.157 20 0 GIADMO CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1cccc(Cl)c1 ZINC000061254773 823587522 /nfs/dbraw/zinc/58/75/22/823587522.db2.gz CMOQXIUCYCPQNG-JOCHJYFZSA-N 1 1 386.923 4.438 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1cccc(Cl)c1 ZINC000061254773 823587523 /nfs/dbraw/zinc/58/75/23/823587523.db2.gz CMOQXIUCYCPQNG-JOCHJYFZSA-N 1 1 386.923 4.438 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCn2ccnc2)c1 ZINC000124331561 823587993 /nfs/dbraw/zinc/58/79/93/823587993.db2.gz DSILTZFYRCHEPK-QFIPXVFZSA-N 1 1 376.504 4.202 20 0 GIADMO O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061284774 823589379 /nfs/dbraw/zinc/58/93/79/823589379.db2.gz XHUKVXLZNHKIAZ-UHFFFAOYSA-N 1 1 399.947 4.482 20 0 GIADMO C[C@@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000124366479 823590612 /nfs/dbraw/zinc/59/06/12/823590612.db2.gz VLXFNCSAVXKMPP-CYBMUJFWSA-N 1 1 399.882 4.063 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1nc2ccccc2n1C(F)F ZINC000411611800 823590741 /nfs/dbraw/zinc/59/07/41/823590741.db2.gz KXHFBDMYEDIWRU-BLLLJJGKSA-N 1 1 388.393 4.027 20 0 GIADMO Cc1noc(C[C@H](NCc2cccc(C[NH+]3CCCCC3)c2)c2ccccc2)n1 ZINC000411631407 823592616 /nfs/dbraw/zinc/59/26/16/823592616.db2.gz AVSPGHVNVMCJJH-QHCPKHFHSA-N 1 1 390.531 4.438 20 0 GIADMO CC[C@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1c(C)noc1C ZINC000124391723 823592784 /nfs/dbraw/zinc/59/27/84/823592784.db2.gz GUQVPBCQQLQXSA-KRWDZBQOSA-N 1 1 388.537 4.113 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)c1ccc(OC)cc1 ZINC000061349381 823592826 /nfs/dbraw/zinc/59/28/26/823592826.db2.gz SXQXNZMWZFDFGQ-JOCHJYFZSA-N 1 1 383.536 4.486 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NCc3ccc(C(F)(F)F)cc3C)CC2)[nH+]c1 ZINC000190639754 823594266 /nfs/dbraw/zinc/59/42/66/823594266.db2.gz UQOCAKGMGSZCJY-UHFFFAOYSA-N 1 1 391.437 4.250 20 0 GIADMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411652702 823594642 /nfs/dbraw/zinc/59/46/42/823594642.db2.gz ZFEGPPFGSVUDRH-SFHVURJKSA-N 1 1 382.401 4.376 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000061396982 823595123 /nfs/dbraw/zinc/59/51/23/823595123.db2.gz VAYNLJSZEURLLO-UHFFFAOYSA-N 1 1 395.551 4.234 20 0 GIADMO CSc1ccc(OC[C@@H](O)C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)cc1 ZINC000411658277 823595311 /nfs/dbraw/zinc/59/53/11/823595311.db2.gz KZTUJQAYDLZADM-WMZHIEFXSA-N 1 1 394.540 4.231 20 0 GIADMO CCOc1ccccc1NC(=O)CC[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000411661891 823595577 /nfs/dbraw/zinc/59/55/77/823595577.db2.gz MSERDTQIFFMTMF-INIZCTEOSA-N 1 1 397.302 4.044 20 0 GIADMO C[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CCN(c2ccccc2)CC1 ZINC000411670855 823596161 /nfs/dbraw/zinc/59/61/61/823596161.db2.gz SKHWFNYQEYPFIN-UHFFFAOYSA-N 1 1 382.895 4.090 20 0 GIADMO C[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C1CCN(c2ccccc2)CC1 ZINC000411670855 823596164 /nfs/dbraw/zinc/59/61/64/823596164.db2.gz SKHWFNYQEYPFIN-UHFFFAOYSA-N 1 1 382.895 4.090 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2cnc3ccc(C)cc3c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000411680078 823596497 /nfs/dbraw/zinc/59/64/97/823596497.db2.gz WZIAFOSUXOPEBY-HTAPYJJXSA-N 1 1 382.529 4.116 20 0 GIADMO CC(=O)Oc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC000124448861 823597671 /nfs/dbraw/zinc/59/76/71/823597671.db2.gz PUKGXPNFRBBXLW-NRFANRHFSA-N 1 1 381.497 4.409 20 0 GIADMO CCC[C@H](NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CCC1 ZINC000411703750 823598293 /nfs/dbraw/zinc/59/82/93/823598293.db2.gz GZYYMQVSWWELOR-FQEVSTJZSA-N 1 1 396.535 4.078 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)cs2)cc1 ZINC000124480992 823600305 /nfs/dbraw/zinc/60/03/05/823600305.db2.gz WKOFSMDFEUUQJL-SFHVURJKSA-N 1 1 385.577 4.145 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2nccn2-c2ccccc2)cc1Br ZINC000190705861 823600375 /nfs/dbraw/zinc/60/03/75/823600375.db2.gz MIIXVRIVLACYPG-AWEZNQCLSA-N 1 1 386.293 4.494 20 0 GIADMO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000190706473 823600455 /nfs/dbraw/zinc/60/04/55/823600455.db2.gz QPVPNIIRAVYOEP-UHFFFAOYSA-N 1 1 383.414 4.093 20 0 GIADMO CSCC[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1nnc2ccccn21 ZINC000190708945 823600720 /nfs/dbraw/zinc/60/07/20/823600720.db2.gz LKUTUMQDNUNBLK-IBGZPJMESA-N 1 1 382.533 4.102 20 0 GIADMO CSc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000411733651 823600975 /nfs/dbraw/zinc/60/09/75/823600975.db2.gz GQDZWMHHMSEOCL-ZNMIVQPWSA-N 1 1 377.472 4.201 20 0 GIADMO COc1cc(Cl)c(F)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000411757389 823602808 /nfs/dbraw/zinc/60/28/08/823602808.db2.gz LFGCMBDCOCPTGQ-ZDUSSCGKSA-N 1 1 396.915 4.191 20 0 GIADMO O=C(NCc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000061601788 823606083 /nfs/dbraw/zinc/60/60/83/823606083.db2.gz HGGXZEFXWNCCDT-IBGZPJMESA-N 1 1 391.437 4.169 20 0 GIADMO C[C@@H]1Cc2[nH+]cn(CCC(=O)Nc3ccccc3Br)c2C[C@@H]1C ZINC000411803692 823606278 /nfs/dbraw/zinc/60/62/78/823606278.db2.gz WMEKTEJDWOIWPK-OLZOCXBDSA-N 1 1 376.298 4.045 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccn1Cc1cccs1 ZINC000061624005 823606861 /nfs/dbraw/zinc/60/68/61/823606861.db2.gz AOQQPCRGWHFAIU-UHFFFAOYSA-N 1 1 376.485 4.022 20 0 GIADMO CCN(CC)c1nc2sc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc2s1 ZINC000461259808 823606896 /nfs/dbraw/zinc/60/68/96/823606896.db2.gz UJLKNOGQVNKWOX-CQSZACIVSA-N 1 1 394.610 4.150 20 0 GIADMO Cc1ccc([C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C2CC2)cc1 ZINC000061633991 823606952 /nfs/dbraw/zinc/60/69/52/823606952.db2.gz XCJAWZWZHNAVOL-QHCPKHFHSA-N 1 1 377.532 4.194 20 0 GIADMO COc1ccc(-c2ccc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)c(F)c2)cc1 ZINC000461260884 823607264 /nfs/dbraw/zinc/60/72/64/823607264.db2.gz GALCQZZBYXZQGJ-LJQANCHMSA-N 1 1 384.495 4.448 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000124578635 823607949 /nfs/dbraw/zinc/60/79/49/823607949.db2.gz XZOVCNXKIRCUKX-QRVBRYPASA-N 1 1 395.547 4.105 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000461264277 823608508 /nfs/dbraw/zinc/60/85/08/823608508.db2.gz ODYGWMOFROPFRW-CYBMUJFWSA-N 1 1 396.304 4.016 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000124597622 823609769 /nfs/dbraw/zinc/60/97/69/823609769.db2.gz DBPUWYTWSKYCFT-BZSNNMDCSA-N 1 1 386.511 4.294 20 0 GIADMO COCCCCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190795981 823609946 /nfs/dbraw/zinc/60/99/46/823609946.db2.gz FVBRDHOXCQCQCH-INIZCTEOSA-N 1 1 394.313 4.453 20 0 GIADMO Cc1nc(CN2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)oc1C ZINC000124602325 823610267 /nfs/dbraw/zinc/61/02/67/823610267.db2.gz IMNMLQHTFJWUIC-UHFFFAOYSA-N 1 1 390.409 4.181 20 0 GIADMO Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2CCc2ccncc2)n1 ZINC000190799639 823610534 /nfs/dbraw/zinc/61/05/34/823610534.db2.gz DAMNKGNIEZNIKX-KRWDZBQOSA-N 1 1 399.292 4.274 20 0 GIADMO CCCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000124618231 823611626 /nfs/dbraw/zinc/61/16/26/823611626.db2.gz MNCSGXFFTWMHHN-QGZVFWFLSA-N 1 1 384.524 4.078 20 0 GIADMO CCN(C(=O)C[N@@H+]1CCSC2(CCC2)CC1)c1nc2ccccc2s1 ZINC000411872828 823611700 /nfs/dbraw/zinc/61/17/00/823611700.db2.gz WJEUAHCFVNBAOM-UHFFFAOYSA-N 1 1 375.563 4.011 20 0 GIADMO CCN(C(=O)C[N@H+]1CCSC2(CCC2)CC1)c1nc2ccccc2s1 ZINC000411872828 823611702 /nfs/dbraw/zinc/61/17/02/823611702.db2.gz WJEUAHCFVNBAOM-UHFFFAOYSA-N 1 1 375.563 4.011 20 0 GIADMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000461289703 823612203 /nfs/dbraw/zinc/61/22/03/823612203.db2.gz HAXHMMIUGFANOL-NRSPTQNISA-N 1 1 397.563 4.053 20 0 GIADMO COc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(Cl)c1OC ZINC000124631110 823612617 /nfs/dbraw/zinc/61/26/17/823612617.db2.gz OXKHBGKDCLBCBR-FQEVSTJZSA-N 1 1 375.896 4.303 20 0 GIADMO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124632704 823612806 /nfs/dbraw/zinc/61/28/06/823612806.db2.gz MTPURZHOVGMUIY-GQIGUUNPSA-N 1 1 385.577 4.228 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000061788473 823614312 /nfs/dbraw/zinc/61/43/12/823614312.db2.gz CJUMZYPGORIKSL-ZVBHREPYSA-N 1 1 385.577 4.278 20 0 GIADMO CCCCOc1ccc(-c2nnc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)o2)cc1 ZINC000411935371 823615046 /nfs/dbraw/zinc/61/50/46/823615046.db2.gz HUCOXGTZIGFCAC-TZIWHRDSSA-N 1 1 393.487 4.223 20 0 GIADMO CCCCOc1ccc(-c2nnc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)o2)cc1 ZINC000411935371 823615047 /nfs/dbraw/zinc/61/50/47/823615047.db2.gz HUCOXGTZIGFCAC-TZIWHRDSSA-N 1 1 393.487 4.223 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)cc1OC ZINC000411946597 823615820 /nfs/dbraw/zinc/61/58/20/823615820.db2.gz OKZZTRANKBRBMN-MOPGFXCFSA-N 1 1 396.512 4.135 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)cc1OC ZINC000411946597 823615822 /nfs/dbraw/zinc/61/58/22/823615822.db2.gz OKZZTRANKBRBMN-MOPGFXCFSA-N 1 1 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CCOc1cccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000061867686 823616781 /nfs/dbraw/zinc/61/67/81/823616781.db2.gz BXGNLKXAWGBCEQ-LJQANCHMSA-N 1 1 395.547 4.459 20 0 GIADMO CO[C@@](C)([C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C1CC1 ZINC000411968220 823617017 /nfs/dbraw/zinc/61/70/17/823617017.db2.gz IZMNWRGJYNZZRV-VFNWGFHPSA-N 1 1 387.549 4.429 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1nc(C)sc1C)C(C)C ZINC000411977124 823617463 /nfs/dbraw/zinc/61/74/63/823617463.db2.gz AGWNMQYEBZWJLF-INIZCTEOSA-N 1 1 380.579 4.132 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1nc(C)sc1C)C(C)C ZINC000411977124 823617464 /nfs/dbraw/zinc/61/74/64/823617464.db2.gz AGWNMQYEBZWJLF-INIZCTEOSA-N 1 1 380.579 4.132 20 0 GIADMO Cc1csc(N2CCC([NH2+]C3[C@H](C)CN(Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000124697222 823618433 /nfs/dbraw/zinc/61/84/33/823618433.db2.gz UOTNBNMPAIHEQN-QZTJIDSGSA-N 1 1 398.620 4.167 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000411987633 823618470 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WWVVPJYHVCBYOF-FYYLOGMGSA-N 1 1 378.516 4.009 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNCc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000062427054 823635128 /nfs/dbraw/zinc/63/51/28/823635128.db2.gz RQFDPSSQPJFHFR-SFHVURJKSA-N 1 1 385.939 4.412 20 0 GIADMO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1(Cc2ccccc2F)CC1 ZINC000461430345 823635343 /nfs/dbraw/zinc/63/53/43/823635343.db2.gz PJKAYFNNBJHGDM-VXKWHMMOSA-N 1 1 392.518 4.129 20 0 GIADMO O=C(Cc1cccc(Cl)c1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461431171 823635467 /nfs/dbraw/zinc/63/54/67/823635467.db2.gz QWAPBHQBTHIDKP-OALUTQOASA-N 1 1 386.898 4.002 20 0 GIADMO C[C@H](Oc1ccccc1Cl)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461431880 823635963 /nfs/dbraw/zinc/63/59/63/823635963.db2.gz UECNJUPDJSUUHK-IHPCNDPISA-N 1 1 398.934 4.088 20 0 GIADMO Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)n1C(C)C ZINC000461438053 823637420 /nfs/dbraw/zinc/63/74/20/823637420.db2.gz JYEWPMPCYKUVHB-FGZHOGPDSA-N 1 1 379.548 4.280 20 0 GIADMO 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385.552 4.195 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000163532651 823718923 /nfs/dbraw/zinc/71/89/23/823718923.db2.gz BWDUURSGFDFSOT-UHFFFAOYSA-N 1 1 390.531 4.445 20 0 GIADMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)o1 ZINC000574399682 823719434 /nfs/dbraw/zinc/71/94/34/823719434.db2.gz NTNFYRFWAQVTKU-YDSTWLSQSA-N 1 1 388.471 4.344 20 0 GIADMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000191646154 823723166 /nfs/dbraw/zinc/72/31/66/823723166.db2.gz PRJYBTROIYXACD-HXUWFJFHSA-N 1 1 375.538 4.050 20 0 GIADMO CCCn1nc(C)c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C ZINC000163571789 823723801 /nfs/dbraw/zinc/72/38/01/823723801.db2.gz CTHKRPZKGRIGAV-KRWDZBQOSA-N 1 1 382.552 4.214 20 0 GIADMO CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000125857744 823730245 /nfs/dbraw/zinc/73/02/45/823730245.db2.gz JGRXDDNTGQSRGH-RDJZCZTQSA-N 1 1 391.943 4.025 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3csc(C4CCCC4)n3)C2)n1 ZINC000063994690 823731285 /nfs/dbraw/zinc/73/12/85/823731285.db2.gz SLQQJILISRIOPQ-QGZVFWFLSA-N 1 1 384.549 4.355 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3csc(C4CCCC4)n3)C2)n1 ZINC000063994690 823731291 /nfs/dbraw/zinc/73/12/91/823731291.db2.gz SLQQJILISRIOPQ-QGZVFWFLSA-N 1 1 384.549 4.355 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(-c3ccccn3)no2)c1 ZINC000461878840 823735108 /nfs/dbraw/zinc/73/51/08/823735108.db2.gz VSPULIJCSKHTLV-UHFFFAOYSA-N 1 1 387.443 4.357 20 0 GIADMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SC(F)F ZINC000125881013 823735496 /nfs/dbraw/zinc/73/54/96/823735496.db2.gz CXAWALVTHQJXPR-CYBMUJFWSA-N 1 1 380.460 4.208 20 0 GIADMO C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CCCCC1 ZINC000064030396 823737423 /nfs/dbraw/zinc/73/74/23/823737423.db2.gz YQJJZTVELIKKBJ-CQSZACIVSA-N 1 1 376.722 4.107 20 0 GIADMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000125889388 823738219 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4.308 20 0 GIADMO COCc1cccc(CNC(=O)C[N@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)c1 ZINC000064143202 823754451 /nfs/dbraw/zinc/75/44/51/823754451.db2.gz XXQGXYRSRXTKKL-INIZCTEOSA-N 1 1 386.923 4.328 20 0 GIADMO COCc1cccc(CNC(=O)C[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)c1 ZINC000064143202 823754454 /nfs/dbraw/zinc/75/44/54/823754454.db2.gz XXQGXYRSRXTKKL-INIZCTEOSA-N 1 1 386.923 4.328 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3ncc(-c4ccccc4)o3)CC2)[nH+]c1 ZINC000125975908 823757721 /nfs/dbraw/zinc/75/77/21/823757721.db2.gz ZXFQOTMPZSDABO-KRWDZBQOSA-N 1 1 390.487 4.139 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2cscn2)cc1 ZINC000125996808 823763132 /nfs/dbraw/zinc/76/31/32/823763132.db2.gz QIWLMHDHMQCBJT-INIZCTEOSA-N 1 1 389.590 4.067 20 0 GIADMO Brc1ccc([C@H]2CCCN2c2cc[nH+]cc2Br)nc1 ZINC000413377914 823763496 /nfs/dbraw/zinc/76/34/96/823763496.db2.gz PKLACSOVCXJYSH-CQSZACIVSA-N 1 1 383.087 4.343 20 0 GIADMO O=C(CN1CC[NH+](C2CC2)CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000126019637 823768017 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377.532 4.088 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1cscn1 ZINC000126058468 823777483 /nfs/dbraw/zinc/77/74/83/823777483.db2.gz GNUZEICFLFCLFW-MRXNPFEDSA-N 1 1 389.590 4.067 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c1 ZINC000126063836 823778372 /nfs/dbraw/zinc/77/83/72/823778372.db2.gz LIFCJVPAPOEACL-UHFFFAOYSA-N 1 1 398.507 4.051 20 0 GIADMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc(Cl)c1OC ZINC000574606488 823778702 /nfs/dbraw/zinc/77/87/02/823778702.db2.gz KIYRIOLQRSZDJN-QWFCFKBJSA-N 1 1 387.907 4.362 20 0 GIADMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000574607218 823779087 /nfs/dbraw/zinc/77/90/87/823779087.db2.gz QIRQJZPERZVMBS-IBGZPJMESA-N 1 1 384.495 4.143 20 0 GIADMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)ns2)[NH+]2CCCC2)o1 ZINC000461980063 823780568 /nfs/dbraw/zinc/78/05/68/823780568.db2.gz BCYJTAALLXSKBW-GOSISDBHSA-N 1 1 381.501 4.278 20 0 GIADMO CO[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000461985922 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FLHKPJRVFQHFGF-JBFBMEKISA-N 1 1 387.568 4.059 20 0 GIADMO C[C@@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CCOCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413788800 823841602 /nfs/dbraw/zinc/84/16/02/823841602.db2.gz UXMWZSTYJHOHQF-XHSDSOJGSA-N 1 1 398.469 4.089 20 0 GIADMO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000064557496 823843877 /nfs/dbraw/zinc/84/38/77/823843877.db2.gz BBNUUMBQLJYRDT-UHFFFAOYSA-N 1 1 382.501 4.411 20 0 GIADMO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000064557496 823843880 /nfs/dbraw/zinc/84/38/80/823843880.db2.gz BBNUUMBQLJYRDT-UHFFFAOYSA-N 1 1 382.501 4.411 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3C)cc1F ZINC000064561192 823844403 /nfs/dbraw/zinc/84/44/03/823844403.db2.gz YBUYEQIHOUDYDP-UHFFFAOYSA-N 1 1 393.466 4.024 20 0 GIADMO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335275 823844546 /nfs/dbraw/zinc/84/45/46/823844546.db2.gz XWLPFEQIRJURHB-IFMALSPDSA-N 1 1 391.559 4.029 20 0 GIADMO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335275 823844552 /nfs/dbraw/zinc/84/45/52/823844552.db2.gz XWLPFEQIRJURHB-IFMALSPDSA-N 1 1 391.559 4.029 20 0 GIADMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000165353827 823845027 /nfs/dbraw/zinc/84/50/27/823845027.db2.gz WRMXHOFCGZNCCD-XJKSGUPXSA-N 1 1 385.430 4.052 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000574858512 823845263 /nfs/dbraw/zinc/84/52/63/823845263.db2.gz SAPVWUMRMDNSKP-MJGOQNOKSA-N 1 1 398.304 4.147 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000574858512 823845266 /nfs/dbraw/zinc/84/52/66/823845266.db2.gz SAPVWUMRMDNSKP-MJGOQNOKSA-N 1 1 398.304 4.147 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCCc1nc2ccccc2s1 ZINC000462156676 823847773 /nfs/dbraw/zinc/84/77/73/823847773.db2.gz DMUVOHYMZGGBTB-FXAWDEMLSA-N 1 1 393.556 4.256 20 0 GIADMO Cc1cccc2c(CCC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c[nH]c21 ZINC000462157014 823847879 /nfs/dbraw/zinc/84/78/79/823847879.db2.gz FVZSQNVLEOQWQQ-PGRDOPGGSA-N 1 1 375.516 4.046 20 0 GIADMO C[C@H](CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)C1CCCCC1 ZINC000574875576 823849501 /nfs/dbraw/zinc/84/95/01/823849501.db2.gz ULUBSTJOJOBVPI-QGZVFWFLSA-N 1 1 386.584 4.189 20 0 GIADMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561785 823853646 /nfs/dbraw/zinc/85/36/46/823853646.db2.gz WAUMJAWNJRGPNS-UMEGOILYSA-N 1 1 388.559 4.417 20 0 GIADMO CC(C)c1nn(C)c2sc(C(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cc12 ZINC000462173036 823853657 /nfs/dbraw/zinc/85/36/57/823853657.db2.gz ZRTHDECOJIUAIC-YJBOKZPZSA-N 1 1 396.560 4.009 20 0 GIADMO O=C(NC1(Cc2ccccc2)CCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000574893001 823853884 /nfs/dbraw/zinc/85/38/84/823853884.db2.gz WTSUWKIXUSZHDE-UHFFFAOYSA-N 1 1 396.441 4.490 20 0 GIADMO Cc1ccc(C)c(OC2CC[NH+](CC(=O)N(C)[C@H](C)c3ccccc3)CC2)c1 ZINC000064631937 823854999 /nfs/dbraw/zinc/85/49/99/823854999.db2.gz SUDKLOISUNOPOU-HXUWFJFHSA-N 1 1 380.532 4.366 20 0 GIADMO Cc1cc(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)cn2cc[nH+]c12 ZINC000574900846 823856839 /nfs/dbraw/zinc/85/68/39/823856839.db2.gz UTDZALMGYZXGJI-KRWDZBQOSA-N 1 1 388.830 4.041 20 0 GIADMO CC(C)(CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064644037 823856868 /nfs/dbraw/zinc/85/68/68/823856868.db2.gz CFTMQERWVSONKI-SFHVURJKSA-N 1 1 385.577 4.237 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccccc1OCC(=O)N(C)C ZINC000165695210 823859334 /nfs/dbraw/zinc/85/93/34/823859334.db2.gz RVQHIOVOYYXXHL-KDOFPFPSSA-N 1 1 376.447 4.234 20 0 GIADMO CCN(C(=O)NCC(C)(C)c1cccnc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000413887675 823859367 /nfs/dbraw/zinc/85/93/67/823859367.db2.gz JEDMMQPVHBAYNS-SIKLNZKXSA-N 1 1 394.563 4.226 20 0 GIADMO CCN(CC)c1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000064664896 823859581 /nfs/dbraw/zinc/85/95/81/823859581.db2.gz MZGYHKCDSONSDV-GOSISDBHSA-N 1 1 385.577 4.236 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192105272 823861723 /nfs/dbraw/zinc/86/17/23/823861723.db2.gz RQNAUJYPKUSRKJ-MSOLQXFVSA-N 1 1 381.520 4.282 20 0 GIADMO Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413903462 823863559 /nfs/dbraw/zinc/86/35/59/823863559.db2.gz QXCFSKJEEVZCDD-UHFFFAOYSA-N 1 1 396.466 4.025 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1C(C)C ZINC000126439228 823867459 /nfs/dbraw/zinc/86/74/59/823867459.db2.gz WNFVJHYQNAJPAE-KRWDZBQOSA-N 1 1 385.508 4.117 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462202271 823868458 /nfs/dbraw/zinc/86/84/58/823868458.db2.gz GLPIVFYYAITAGN-IUODEOHRSA-N 1 1 397.466 4.253 20 0 GIADMO COCCOc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000064720324 823870981 /nfs/dbraw/zinc/87/09/81/823870981.db2.gz WPGXWFIKGWKJGG-LJQANCHMSA-N 1 1 396.531 4.016 20 0 GIADMO O=C(c1c[nH]c2ncccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000064721287 823871177 /nfs/dbraw/zinc/87/11/77/823871177.db2.gz VYKZEEITBSQEEX-UHFFFAOYSA-N 1 1 396.494 4.110 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064726342 823872436 /nfs/dbraw/zinc/87/24/36/823872436.db2.gz YAGFJLHQQDDYII-VWKPWSFCSA-N 1 1 398.526 4.106 20 0 GIADMO C[C@H](c1ccc2ccccc2c1)[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C1CC1 ZINC000166258607 823873970 /nfs/dbraw/zinc/87/39/70/823873970.db2.gz HRCJAXKNLIXPRP-MRXNPFEDSA-N 1 1 398.528 4.409 20 0 GIADMO C[C@H](c1ccc2ccccc2c1)[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C1CC1 ZINC000166258607 823873981 /nfs/dbraw/zinc/87/39/81/823873981.db2.gz HRCJAXKNLIXPRP-MRXNPFEDSA-N 1 1 398.528 4.409 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000064735622 823875309 /nfs/dbraw/zinc/87/53/09/823875309.db2.gz BKXXTKUMLOGAFX-QLFBSQMISA-N 1 1 385.335 4.236 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1nc3ccccc3n1Cc1ccccc1C)C2 ZINC000574966410 823875434 /nfs/dbraw/zinc/87/54/34/823875434.db2.gz LEXCONFMOPOICW-GOSISDBHSA-N 1 1 399.498 4.099 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000574968745 823876041 /nfs/dbraw/zinc/87/60/41/823876041.db2.gz WQZKDISJHKCQMD-HXUWFJFHSA-N 1 1 383.927 4.154 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000574968745 823876042 /nfs/dbraw/zinc/87/60/42/823876042.db2.gz WQZKDISJHKCQMD-HXUWFJFHSA-N 1 1 383.927 4.154 20 0 GIADMO C[N@@H+]1CCC[C@H]1CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000166404900 823877334 /nfs/dbraw/zinc/87/73/34/823877334.db2.gz JPMQVJQJJYMPAM-KRWDZBQOSA-N 1 1 392.330 4.430 20 0 GIADMO C[N@H+]1CCC[C@H]1CNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000166404900 823877341 /nfs/dbraw/zinc/87/73/41/823877341.db2.gz JPMQVJQJJYMPAM-KRWDZBQOSA-N 1 1 392.330 4.430 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(F)(F)c2ccccc2)C1 ZINC000462221387 823878722 /nfs/dbraw/zinc/87/87/22/823878722.db2.gz CMMYENFCUAXGJS-ROUUACIJSA-N 1 1 379.495 4.074 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000166734596 823882415 /nfs/dbraw/zinc/88/24/15/823882415.db2.gz UJYCPTIHRBCWFN-KNQAVFIVSA-N 1 1 381.495 4.105 20 0 GIADMO Cc1nc(-c2ccccc2)c(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)s1 ZINC000574997281 823882792 /nfs/dbraw/zinc/88/27/92/823882792.db2.gz NJFVIUMOHQCRFK-YWZLYKJASA-N 1 1 382.489 4.094 20 0 GIADMO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000166935969 823884543 /nfs/dbraw/zinc/88/45/43/823884543.db2.gz DZDNCUHUBFGPEJ-QGZVFWFLSA-N 1 1 382.291 4.244 20 0 GIADMO Cc1noc(C)c1CC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000166935969 823884545 /nfs/dbraw/zinc/88/45/45/823884545.db2.gz DZDNCUHUBFGPEJ-QGZVFWFLSA-N 1 1 382.291 4.244 20 0 GIADMO O=C(c1cc2sccc2[nH]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000192175086 823891522 /nfs/dbraw/zinc/89/15/22/823891522.db2.gz NIZASSWPQOSEON-PXNSSMCTSA-N 1 1 379.529 4.356 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)s1 ZINC000414049039 823895124 /nfs/dbraw/zinc/89/51/24/823895124.db2.gz FGYADGNNJBFIMT-HUUCEWRRSA-N 1 1 393.578 4.115 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000414049039 823895131 /nfs/dbraw/zinc/89/51/31/823895131.db2.gz FGYADGNNJBFIMT-HUUCEWRRSA-N 1 1 393.578 4.115 20 0 GIADMO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000462246947 823895730 /nfs/dbraw/zinc/89/57/30/823895730.db2.gz NARGQCYTXXBRKW-QOKNQOGYSA-N 1 1 391.353 4.028 20 0 GIADMO Clc1ccc(CN2CCC([NH2+]C3CCN(CC4CC4)CC3)CC2)cc1Cl ZINC000167900577 823897543 /nfs/dbraw/zinc/89/75/43/823897543.db2.gz BBOYDYLGXOLJNI-UHFFFAOYSA-N 1 1 396.406 4.422 20 0 GIADMO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000167990089 823898941 /nfs/dbraw/zinc/89/89/41/823898941.db2.gz MSMRGPDQTWFABS-CJNGLKHVSA-N 1 1 382.537 4.414 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1csc(-c2ccccc2)n1 ZINC000414065001 823899137 /nfs/dbraw/zinc/89/91/37/823899137.db2.gz OARKOLUKLWSVOZ-GOSISDBHSA-N 1 1 393.556 4.493 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000414076277 823903365 /nfs/dbraw/zinc/90/33/65/823903365.db2.gz YFHQOJXTLYLQDH-CJNGLKHVSA-N 1 1 393.940 4.071 20 0 GIADMO COc1cc(F)c([C@@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000168558545 823903866 /nfs/dbraw/zinc/90/38/66/823903866.db2.gz FCJIUAVFGBNVRF-HZPDHXFCSA-N 1 1 390.499 4.195 20 0 GIADMO Cc1ccc(OC(F)F)c(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000168604413 823905232 /nfs/dbraw/zinc/90/52/32/823905232.db2.gz FNHRQOOMKSSSIE-INIZCTEOSA-N 1 1 378.463 4.388 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]CCOCc2ccc(Cl)cc2Cl)s1 ZINC000414110530 823912404 /nfs/dbraw/zinc/91/24/04/823912404.db2.gz WGCJOMIRYMISSV-JTQLQIEISA-N 1 1 389.304 4.104 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000575101598 823912822 /nfs/dbraw/zinc/91/28/22/823912822.db2.gz STTSTYDYTAZGAF-AWEZNQCLSA-N 1 1 393.528 4.020 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)c1 ZINC000414115042 823912856 /nfs/dbraw/zinc/91/28/56/823912856.db2.gz MKYUVUOJXBMABS-ROUUACIJSA-N 1 1 385.527 4.306 20 0 GIADMO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575103209 823913645 /nfs/dbraw/zinc/91/36/45/823913645.db2.gz IVULZRJHGBZZJZ-QRQLOZEOSA-N 1 1 397.485 4.271 20 0 GIADMO Fc1ccccc1-c1ccc(C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)s1 ZINC000064931777 823913814 /nfs/dbraw/zinc/91/38/14/823913814.db2.gz PDRGFPXMQQRJCD-UHFFFAOYSA-N 1 1 398.507 4.132 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H](c3cccnc3)C2)c1 ZINC000575121187 823917725 /nfs/dbraw/zinc/91/77/25/823917725.db2.gz CGEWOYVXYWMBLT-HXUWFJFHSA-N 1 1 389.503 4.471 20 0 GIADMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1Cl ZINC000575131370 823919271 /nfs/dbraw/zinc/91/92/71/823919271.db2.gz XCMDUNOCMRCNHX-YSGRDPCXSA-N 1 1 382.895 4.068 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC000414168957 823921662 /nfs/dbraw/zinc/92/16/62/823921662.db2.gz VDPQJEYHDSZWQH-WBMJQRKESA-N 1 1 394.924 4.402 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(NC(=O)c4ccsc4)CC3)co2)cc1 ZINC000064989721 823922363 /nfs/dbraw/zinc/92/23/63/823922363.db2.gz SSFXSYYNANUNIK-UHFFFAOYSA-N 1 1 381.501 4.106 20 0 GIADMO COc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1Cl ZINC000414177507 823923338 /nfs/dbraw/zinc/92/33/38/823923338.db2.gz JQVOKTVHCXGMEG-YOEHRIQHSA-N 1 1 375.900 4.075 20 0 GIADMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000575146984 823923591 /nfs/dbraw/zinc/92/35/91/823923591.db2.gz LEVAOIPECMZIHU-MDASCCDHSA-N 1 1 389.927 4.248 20 0 GIADMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000575146984 823923596 /nfs/dbraw/zinc/92/35/96/823923596.db2.gz LEVAOIPECMZIHU-MDASCCDHSA-N 1 1 389.927 4.248 20 0 GIADMO COc1ccc(CCC(=O)N2CCC[N@H+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000170646369 823924644 /nfs/dbraw/zinc/92/46/44/823924644.db2.gz VQRYXMJPXJBWSY-GOSISDBHSA-N 1 1 384.495 4.062 20 0 GIADMO Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)c3ccc(F)c4ccccc43)CC2)c1 ZINC000575151866 823924677 /nfs/dbraw/zinc/92/46/77/823924677.db2.gz BWSXAXAETDOYCX-KRWDZBQOSA-N 1 1 392.478 4.275 20 0 GIADMO C[N@H+]1CCCN(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000462324741 823924735 /nfs/dbraw/zinc/92/47/35/823924735.db2.gz FVBOGTBLRUOGIH-KRWDZBQOSA-N 1 1 385.474 4.010 20 0 GIADMO C[C@@H]1C[C@@H](N[C@@H](c2nccn2C)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000575152194 823925285 /nfs/dbraw/zinc/92/52/85/823925285.db2.gz NXVYUJFNYNPUOF-QMHWCDLVSA-N 1 1 392.522 4.291 20 0 GIADMO C[C@H](Cc1ccccc1)n1cccc1-c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000575162919 823928795 /nfs/dbraw/zinc/92/87/95/823928795.db2.gz OXCCFRNKKHWIEB-DHJUGAMNSA-N 1 1 392.503 4.268 20 0 GIADMO CC[C@H](C)[C@@H]1CN(CCCc2ccncc2)CC[N@H+]1CCCc1ccncc1 ZINC000462335086 823928867 /nfs/dbraw/zinc/92/88/67/823928867.db2.gz SOHUHOJWBMMKTO-URXFXBBRSA-N 1 1 380.580 4.074 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@H+](CCCc2ccncc2)CCN1CCCc1ccncc1 ZINC000462335086 823928877 /nfs/dbraw/zinc/92/88/77/823928877.db2.gz SOHUHOJWBMMKTO-URXFXBBRSA-N 1 1 380.580 4.074 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@@H+](CCCc2ccncc2)CCN1CCCc1ccncc1 ZINC000462335086 823928884 /nfs/dbraw/zinc/92/88/84/823928884.db2.gz SOHUHOJWBMMKTO-URXFXBBRSA-N 1 1 380.580 4.074 20 0 GIADMO C[C@H]1CCCN(c2cc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)ccn2)C1 ZINC000462340792 823930884 /nfs/dbraw/zinc/93/08/84/823930884.db2.gz MOCATRPRSJVVME-HNNXBMFYSA-N 1 1 386.927 4.285 20 0 GIADMO COc1cccc([C@@H]2CCCN2C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000170683126 823937551 /nfs/dbraw/zinc/93/75/51/823937551.db2.gz KWTCIOLCTRYESU-NRFANRHFSA-N 1 1 399.560 4.036 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(N4CCCC4)c(C)c3)CC2)cs1 ZINC000170683956 823937946 /nfs/dbraw/zinc/93/79/46/823937946.db2.gz ZPDNCDRJUWIWAN-UHFFFAOYSA-N 1 1 398.576 4.211 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cc(C)ccc1Br ZINC000414245249 823939286 /nfs/dbraw/zinc/93/92/86/823939286.db2.gz ADMVYCLBHHDVHE-AWEZNQCLSA-N 1 1 392.293 4.160 20 0 GIADMO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1)n2CC ZINC000575212819 823940418 /nfs/dbraw/zinc/94/04/18/823940418.db2.gz IRLHFZVURWWYQJ-INIZCTEOSA-N 1 1 395.503 4.002 20 0 GIADMO CC[C@](C)([NH2+]CC(=O)N(C)Cc1ccc(SC)cc1)c1nc(C)cs1 ZINC000126743877 823940551 /nfs/dbraw/zinc/94/05/51/823940551.db2.gz JQNRBJQYKIKNOO-IBGZPJMESA-N 1 1 377.579 4.047 20 0 GIADMO Cc1oc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1C1CC1 ZINC000575221585 823944129 /nfs/dbraw/zinc/94/41/29/823944129.db2.gz FVOKGUDMUFVFBW-WOJBJXKFSA-N 1 1 394.519 4.379 20 0 GIADMO Cc1cc(CNC(=O)NCC2(c3ccccc3Cl)CC2)cc(N2CCCC2)[nH+]1 ZINC000575225909 823946632 /nfs/dbraw/zinc/94/66/32/823946632.db2.gz DYGMBIGIKYEKDP-UHFFFAOYSA-N 1 1 398.938 4.175 20 0 GIADMO Cc1ccc(Br)c(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000414273682 823948845 /nfs/dbraw/zinc/94/88/45/823948845.db2.gz ZMWHUQOQVGIHJM-CYBMUJFWSA-N 1 1 382.323 4.012 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cccnc1OC1CCCC1 ZINC000414276591 823950176 /nfs/dbraw/zinc/95/01/76/823950176.db2.gz ALQHERSWYKSPLC-UHFFFAOYSA-N 1 1 380.467 4.326 20 0 GIADMO O=C(NCCCCOCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065149881 823951477 /nfs/dbraw/zinc/95/14/77/823951477.db2.gz DUJKCCXBGDCYDV-QHCPKHFHSA-N 1 1 380.532 4.012 20 0 GIADMO Cc1ccc([C@H]([NH2+][C@@H]2CCCC[C@H]2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414289067 823952118 /nfs/dbraw/zinc/95/21/18/823952118.db2.gz QTPIVLBESPQKKP-NJYVYQBISA-N 1 1 375.509 4.358 20 0 GIADMO Cc1ccc(C[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C(C)C)s1 ZINC000065162624 823955608 /nfs/dbraw/zinc/95/56/08/823955608.db2.gz IPMIWMZEQOPGQR-HXUWFJFHSA-N 1 1 390.524 4.006 20 0 GIADMO COCCCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1 ZINC000065165563 823956467 /nfs/dbraw/zinc/95/64/67/823956467.db2.gz LXEVDJNXLIAWCW-UHFFFAOYSA-N 1 1 378.875 4.346 20 0 GIADMO COc1ccc2c(c1)N(C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1)C(=O)C2=O ZINC000065188265 823957649 /nfs/dbraw/zinc/95/76/49/823957649.db2.gz IQDHSMIWBKVWSR-UHFFFAOYSA-N 1 1 393.270 4.014 20 0 GIADMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1O ZINC000575338160 823958654 /nfs/dbraw/zinc/95/86/54/823958654.db2.gz MHSQKTSBGDDWAO-TZIWHRDSSA-N 1 1 382.552 4.289 20 0 GIADMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000575367581 823963067 /nfs/dbraw/zinc/96/30/67/823963067.db2.gz CDCHRHDPXSDZAB-SFHVURJKSA-N 1 1 385.527 4.141 20 0 GIADMO C[NH+](C)[C@H](C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)c1cccc(Cl)c1 ZINC000575376350 823965523 /nfs/dbraw/zinc/96/55/23/823965523.db2.gz LJHSKBDHUONRHH-WMZOPIPTSA-N 1 1 398.856 4.480 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1 ZINC000126852167 823966707 /nfs/dbraw/zinc/96/67/07/823966707.db2.gz FFJTYBPPWZXTSC-FQEVSTJZSA-N 1 1 397.519 4.073 20 0 GIADMO CC(C)c1cnc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000192386493 823967632 /nfs/dbraw/zinc/96/76/32/823967632.db2.gz PMKQYLFDZSNVHU-UHFFFAOYSA-N 1 1 376.501 4.145 20 0 GIADMO CC(C)c1cnc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000192386493 823967644 /nfs/dbraw/zinc/96/76/44/823967644.db2.gz PMKQYLFDZSNVHU-UHFFFAOYSA-N 1 1 376.501 4.145 20 0 GIADMO Cc1cc(C(=O)NC2CC[NH+](Cc3nc(-c4cccs4)oc3C)CC2)c(C)o1 ZINC000170775983 823968046 /nfs/dbraw/zinc/96/80/46/823968046.db2.gz ZNGRQVQBQZHBGR-UHFFFAOYSA-N 1 1 399.516 4.316 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ncc(C(C)C)s1 ZINC000192396540 823969850 /nfs/dbraw/zinc/96/98/50/823969850.db2.gz UJTURBLJCIRRAN-KRWDZBQOSA-N 1 1 387.553 4.180 20 0 GIADMO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000575455756 823972736 /nfs/dbraw/zinc/97/27/36/823972736.db2.gz NHROHBMJAWRBGR-HZCDGDGTSA-N 1 1 375.900 4.168 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170801538 823974828 /nfs/dbraw/zinc/97/48/28/823974828.db2.gz MYUMAPDVJATYEV-HSZRJFAPSA-N 1 1 394.515 4.145 20 0 GIADMO CC(C)C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCCc2cccnc21 ZINC000126891931 823975467 /nfs/dbraw/zinc/97/54/67/823975467.db2.gz FVNKFMPWZTXAQP-IBGZPJMESA-N 1 1 396.922 4.279 20 0 GIADMO O=C(CC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000575621917 823979381 /nfs/dbraw/zinc/97/93/81/823979381.db2.gz ARUONGYMHBIHFX-SJLPKXTDSA-N 1 1 383.319 4.356 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414427097 823982339 /nfs/dbraw/zinc/98/23/39/823982339.db2.gz IUESYYLENLJKJW-SECBINFHSA-N 1 1 391.340 4.235 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(C(F)(F)F)ccn1 ZINC000192423627 823985756 /nfs/dbraw/zinc/98/57/56/823985756.db2.gz KEFOQOMLORBJPX-ZDUSSCGKSA-N 1 1 398.454 4.196 20 0 GIADMO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)c(C)c3)CC2)no1 ZINC000414439833 823985864 /nfs/dbraw/zinc/98/58/64/823985864.db2.gz SZEGBPPVTBAMND-KRWDZBQOSA-N 1 1 396.457 4.192 20 0 GIADMO C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000575758412 823987746 /nfs/dbraw/zinc/98/77/46/823987746.db2.gz BWNMLUBZQLMPBZ-YADARESESA-N 1 1 385.511 4.448 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000414486169 823992790 /nfs/dbraw/zinc/99/27/90/823992790.db2.gz NBOBLAXKJYYYIU-LPHOPBHVSA-N 1 1 383.289 4.305 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000414486169 823992791 /nfs/dbraw/zinc/99/27/91/823992791.db2.gz NBOBLAXKJYYYIU-LPHOPBHVSA-N 1 1 383.289 4.305 20 0 GIADMO Cc1sc(C2(NC(=O)C[N@H+](C)C(C)C)CCC2)nc1-c1ccccc1F ZINC000575780060 823993151 /nfs/dbraw/zinc/99/31/51/823993151.db2.gz LLYFHGFIQNFBPO-UHFFFAOYSA-N 1 1 375.513 4.093 20 0 GIADMO O=C1CCCN1c1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000192455307 823997380 /nfs/dbraw/zinc/99/73/80/823997380.db2.gz IWUMWPKUPSGGIS-UHFFFAOYSA-N 1 1 377.257 4.005 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)C1 ZINC000170877001 823997938 /nfs/dbraw/zinc/99/79/38/823997938.db2.gz GOPCJXGHJJGUOY-SFHVURJKSA-N 1 1 394.519 4.101 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cc(-c3ccsc3)nn2C)C1 ZINC000575809288 824001610 /nfs/dbraw/zinc/00/16/10/824001610.db2.gz MZDZUPZWBZNKFV-YJBOKZPZSA-N 1 1 395.532 4.106 20 0 GIADMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1OCc1cccnc1 ZINC000414524879 824001728 /nfs/dbraw/zinc/00/17/28/824001728.db2.gz ISHIDPZFYXLSQW-QHCPKHFHSA-N 1 1 396.531 4.306 20 0 GIADMO C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170904432 824003544 /nfs/dbraw/zinc/00/35/44/824003544.db2.gz MNLRBRVNPOOCDF-AUSIDOKSSA-N 1 1 394.559 4.057 20 0 GIADMO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170917910 824004689 /nfs/dbraw/zinc/00/46/89/824004689.db2.gz KGMRFIZHSIKPLJ-UONOGXRCSA-N 1 1 392.525 4.048 20 0 GIADMO C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000170917910 824004693 /nfs/dbraw/zinc/00/46/93/824004693.db2.gz KGMRFIZHSIKPLJ-UONOGXRCSA-N 1 1 392.525 4.048 20 0 GIADMO CCCCOc1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1OCC ZINC000414547386 824007741 /nfs/dbraw/zinc/00/77/41/824007741.db2.gz ILBAGBRYIZUKAT-FQEVSTJZSA-N 1 1 388.552 4.241 20 0 GIADMO C[C@@H](C[N@H+]1CCC[C@H](N2CCCC2=O)CC1)c1cccc(Br)c1 ZINC000414550455 824008883 /nfs/dbraw/zinc/00/88/83/824008883.db2.gz NBCFKVJYWPFIJR-YJBOKZPZSA-N 1 1 379.342 4.030 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000414555495 824010769 /nfs/dbraw/zinc/01/07/69/824010769.db2.gz UNNMYDMCROZQEQ-HXUWFJFHSA-N 1 1 388.515 4.002 20 0 GIADMO CCc1ncc(C[N@@H+](C[C@H](O)COc2ccccc2SC)C(C)C)s1 ZINC000414555817 824011476 /nfs/dbraw/zinc/01/14/76/824011476.db2.gz MRWSDGFYIHRZMC-HNNXBMFYSA-N 1 1 380.579 4.078 20 0 GIADMO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414556484 824011552 /nfs/dbraw/zinc/01/15/52/824011552.db2.gz VXOVXEMDYMINSR-QRURKXGXSA-N 1 1 378.463 4.168 20 0 GIADMO Fc1ccc(-n2nccc2C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000414561280 824013252 /nfs/dbraw/zinc/01/32/52/824013252.db2.gz SCOCCZFUQKHHPW-JOCHJYFZSA-N 1 1 377.463 4.365 20 0 GIADMO Fc1ccc(-n2nccc2C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000414561280 824013258 /nfs/dbraw/zinc/01/32/58/824013258.db2.gz SCOCCZFUQKHHPW-JOCHJYFZSA-N 1 1 377.463 4.365 20 0 GIADMO CC(C)[N@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C[C@@H]1CCC(=O)N1 ZINC000414565588 824014150 /nfs/dbraw/zinc/01/41/50/824014150.db2.gz YYVSIBSJBKFOQR-SFHVURJKSA-N 1 1 399.922 4.081 20 0 GIADMO CC(C)C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)[C@@H]1CCCc2cccnc21 ZINC000127104025 824017858 /nfs/dbraw/zinc/01/78/58/824017858.db2.gz FKPKYQCTHMOWQA-HXUWFJFHSA-N 1 1 395.551 4.367 20 0 GIADMO CC(C)n1c(-c2cccnc2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000575877992 824018062 /nfs/dbraw/zinc/01/80/62/824018062.db2.gz IPTMOPBIKOLLHD-IBGZPJMESA-N 1 1 396.583 4.402 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000127129817 824023106 /nfs/dbraw/zinc/02/31/06/824023106.db2.gz ZCLXTHULQRSQPA-QGZVFWFLSA-N 1 1 386.459 4.043 20 0 GIADMO COCCNc1ccc(C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000127139006 824024622 /nfs/dbraw/zinc/02/46/22/824024622.db2.gz JLVSRVIYUVZHCZ-HNNXBMFYSA-N 1 1 399.926 4.138 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CCO2 ZINC000575910789 824027610 /nfs/dbraw/zinc/02/76/10/824027610.db2.gz HEUHTWCQKQVCTF-LJQANCHMSA-N 1 1 379.504 4.045 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1C(=O)N(C)C(C)C ZINC000192546297 824027759 /nfs/dbraw/zinc/02/77/59/824027759.db2.gz IFARANLKKPUNIP-GOSISDBHSA-N 1 1 385.552 4.069 20 0 GIADMO CN(CCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1)c1ccccc1 ZINC000575919713 824029535 /nfs/dbraw/zinc/02/95/35/824029535.db2.gz ZSQNWBLQXUTAND-MRXNPFEDSA-N 1 1 382.430 4.228 20 0 GIADMO CN(CCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1)c1ccccc1 ZINC000575919713 824029538 /nfs/dbraw/zinc/02/95/38/824029538.db2.gz ZSQNWBLQXUTAND-MRXNPFEDSA-N 1 1 382.430 4.228 20 0 GIADMO CCCN(C(=O)N[C@@H](C)c1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000171004447 824034253 /nfs/dbraw/zinc/03/42/53/824034253.db2.gz WBBAZDRCJQJGOH-SIKLNZKXSA-N 1 1 380.536 4.229 20 0 GIADMO Fc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962644 824039298 /nfs/dbraw/zinc/03/92/98/824039298.db2.gz OFOAKIGNGHVLMA-UNMCSNQZSA-N 1 1 390.506 4.170 20 0 GIADMO Fc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962644 824039300 /nfs/dbraw/zinc/03/93/00/824039300.db2.gz OFOAKIGNGHVLMA-UNMCSNQZSA-N 1 1 390.506 4.170 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962644 824039301 /nfs/dbraw/zinc/03/93/01/824039301.db2.gz OFOAKIGNGHVLMA-UNMCSNQZSA-N 1 1 390.506 4.170 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962644 824039304 /nfs/dbraw/zinc/03/93/04/824039304.db2.gz OFOAKIGNGHVLMA-UNMCSNQZSA-N 1 1 390.506 4.170 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC2(CCC2(F)F)C1 ZINC000575962409 824039408 /nfs/dbraw/zinc/03/94/08/824039408.db2.gz CGDJGISNQSBTEY-UHFFFAOYSA-N 1 1 396.279 4.483 20 0 GIADMO COc1cc(C[NH2+]C[C@H](N)c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000414835991 824040933 /nfs/dbraw/zinc/04/09/33/824040933.db2.gz SJYAYVVHYHNXSF-NRFANRHFSA-N 1 1 392.499 4.072 20 0 GIADMO CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000575971737 824041970 /nfs/dbraw/zinc/04/19/70/824041970.db2.gz UZMCWHVDCGVPGT-HZPDHXFCSA-N 1 1 376.451 4.492 20 0 GIADMO CC(C)c1noc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000171039140 824044381 /nfs/dbraw/zinc/04/43/81/824044381.db2.gz LNKOMIYALIJUQS-AWEZNQCLSA-N 1 1 387.871 4.276 20 0 GIADMO CC(C)c1noc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000171039140 824044388 /nfs/dbraw/zinc/04/43/88/824044388.db2.gz LNKOMIYALIJUQS-AWEZNQCLSA-N 1 1 387.871 4.276 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC000414919188 824050112 /nfs/dbraw/zinc/05/01/12/824050112.db2.gz WJQQZQWEFCHKPR-GFCCVEGCSA-N 1 1 391.397 4.065 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@H](O)c1ccccc1)C1CCCCC1 ZINC000192630308 824050437 /nfs/dbraw/zinc/05/04/37/824050437.db2.gz AVBMLIUXQOTRFO-QFIPXVFZSA-N 1 1 381.520 4.306 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2cscc2C(F)(F)F)[C@@H](C)S(C)(=O)=O)cc1 ZINC000576020566 824051286 /nfs/dbraw/zinc/05/12/86/824051286.db2.gz ARTTWIALHMTLHD-MLGOLLRUSA-N 1 1 391.480 4.339 20 0 GIADMO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](CN)c2ccc3ccccc3c2)c(C)c1 ZINC000414941215 824052202 /nfs/dbraw/zinc/05/22/02/824052202.db2.gz LBSWTKZCOSSBOC-MBSDFSHPSA-N 1 1 375.516 4.463 20 0 GIADMO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000414940813 824052379 /nfs/dbraw/zinc/05/23/79/824052379.db2.gz YAJNNJWGGLEDHD-GOSISDBHSA-N 1 1 388.302 4.324 20 0 GIADMO Cc1nc(COc2ccc(CNC[C@H]3[NH2+]CCc4ccccc43)cc2)cs1 ZINC000414951351 824053182 /nfs/dbraw/zinc/05/31/82/824053182.db2.gz GNGYIIJPPBEOSQ-JOCHJYFZSA-N 1 1 379.529 4.007 20 0 GIADMO Fc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)ccc1OC(F)F ZINC000576028827 824053264 /nfs/dbraw/zinc/05/32/64/824053264.db2.gz XHGDVGMGBGMAHV-LMMKCTJWSA-N 1 1 377.406 4.432 20 0 GIADMO Cc1cc([C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2cccc(Cl)c2)c(C)s1 ZINC000576033137 824054266 /nfs/dbraw/zinc/05/42/66/824054266.db2.gz ATQOYUWIXQTHEF-INIZCTEOSA-N 1 1 390.858 4.376 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000576031869 824054419 /nfs/dbraw/zinc/05/44/19/824054419.db2.gz SKPJULVAWSKFOH-OAHLLOKOSA-N 1 1 381.451 4.482 20 0 GIADMO CC(C)OCc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000359936605 206271240 /nfs/dbraw/zinc/27/12/40/206271240.db2.gz NNMGJASNMKDKRZ-OAQYLSRUSA-N 1 1 396.535 4.040 20 0 GIADMO CC(C)[N@H+]1CCc2nc(CNCc3nc(-c4ccccc4)cs3)sc2C1 ZINC000359993279 206277234 /nfs/dbraw/zinc/27/72/34/206277234.db2.gz KCDUKOXEWOPPHL-UHFFFAOYSA-N 1 1 384.574 4.323 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(OC)c1OC ZINC000013993441 207006225 /nfs/dbraw/zinc/00/62/25/207006225.db2.gz CSUSDBVYWJWCCX-IBGZPJMESA-N 1 1 389.467 4.033 20 0 GIADMO COc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(OC)c1OC ZINC000013993441 207006230 /nfs/dbraw/zinc/00/62/30/207006230.db2.gz CSUSDBVYWJWCCX-IBGZPJMESA-N 1 1 389.467 4.033 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000018180077 207093806 /nfs/dbraw/zinc/09/38/06/207093806.db2.gz COUSFUGHNSJITA-MRXNPFEDSA-N 1 1 382.291 4.426 20 0 GIADMO C/C=C/c1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c(OC)c1 ZINC000024101402 207287866 /nfs/dbraw/zinc/28/78/66/207287866.db2.gz MKDMFLYEYWXJTP-YEFOHOTDSA-N 1 1 385.479 4.272 20 0 GIADMO CC(C)(CNc1ncnc2scc(-c3ccc(F)cc3)c21)[NH+]1CCOCC1 ZINC000023709228 207280934 /nfs/dbraw/zinc/28/09/34/207280934.db2.gz PPOOWJBIBBGHIT-UHFFFAOYSA-N 1 1 386.496 4.020 20 0 GIADMO Cc1ccccc1C[N@H+]1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096080415 208261194 /nfs/dbraw/zinc/26/11/94/208261194.db2.gz ZJBZVPYLYZFRHI-VWLOTQADSA-N 1 1 385.511 4.434 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CC(F)(F)[C@@H]4C3)c2c1C ZINC001164405525 718870383 /nfs/dbraw/zinc/87/03/83/718870383.db2.gz DMEOXKSJIWKBLS-HUUCEWRRSA-N 1 1 392.519 4.385 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CC(F)(F)[C@@H]4C3)c2c1C ZINC001164405526 718870792 /nfs/dbraw/zinc/87/07/92/718870792.db2.gz DMEOXKSJIWKBLS-LSDHHAIUSA-N 1 1 392.519 4.385 20 0 GIADMO CCOC(=O)c1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncc1Cl ZINC001164623667 719057913 /nfs/dbraw/zinc/05/79/13/719057913.db2.gz KHVTTWPASBTWGU-XLIONFOSSA-N 1 1 399.922 4.013 20 0 GIADMO Cc1nc(Cl)cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618947 719064136 /nfs/dbraw/zinc/06/41/36/719064136.db2.gz BQXPSYNQTQUBJK-IAGOWNOFSA-N 1 1 392.881 4.084 20 0 GIADMO Clc1cnc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc2c1 ZINC001164620412 719075014 /nfs/dbraw/zinc/07/50/14/719075014.db2.gz DTSRKVOFHKLQIT-UYAOXDASSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1ccnc2cc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ncc12 ZINC001164629517 719076238 /nfs/dbraw/zinc/07/62/38/719076238.db2.gz XUFZTVFASUCXHV-LAUBAEHRSA-N 1 1 378.907 4.384 20 0 GIADMO Cc1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)nn1 ZINC001164622676 719099679 /nfs/dbraw/zinc/09/96/79/719099679.db2.gz CFKCLHCEYQNIMU-WMZOPIPTSA-N 1 1 392.881 4.084 20 0 GIADMO c1csc(-c2cc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ncn2)c1 ZINC001164623427 719100844 /nfs/dbraw/zinc/10/08/44/719100844.db2.gz CZBCVQIALOXRTM-QUCCMNQESA-N 1 1 376.529 4.306 20 0 GIADMO Cc1nc(-c2ccncc2)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164625125 719104393 /nfs/dbraw/zinc/10/43/93/719104393.db2.gz GQMCEWWMTKSHQV-DHIUTWEWSA-N 1 1 399.542 4.256 20 0 GIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4nccnc4Oc4ccccc4)[C@@H]3C2)cc1 ZINC001164621806 719106475 /nfs/dbraw/zinc/10/64/75/719106475.db2.gz AXQWJUMABOLIMD-IFMALSPDSA-N 1 1 386.499 4.370 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4ccccc42)CC3)cs1 ZINC001164691426 719804176 /nfs/dbraw/zinc/80/41/76/719804176.db2.gz GQZOJSNRWVMPJK-UHFFFAOYSA-N 1 1 379.533 4.030 20 0 GIADMO CCc1ncnc(Cl)c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692416 719804667 /nfs/dbraw/zinc/80/46/67/719804667.db2.gz OGPQDWPVOOQMQC-UHFFFAOYSA-N 1 1 391.972 4.092 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c(C)cccc42)CC3)cs1 ZINC001164690829 719805724 /nfs/dbraw/zinc/80/57/24/719805724.db2.gz AMWMEERLWCODIA-UHFFFAOYSA-N 1 1 393.560 4.338 20 0 GIADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723173 720328440 /nfs/dbraw/zinc/32/84/40/720328440.db2.gz HILRLMJPIRVHQG-OALUTQOASA-N 1 1 382.870 4.276 20 0 GIADMO CC(C)(C)c1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164734770 720432361 /nfs/dbraw/zinc/43/23/61/720432361.db2.gz UHVZRFLCWAUMDS-OALUTQOASA-N 1 1 393.579 4.320 20 0 GIADMO Fc1cc2ccnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2cc1Cl ZINC001164727481 720470128 /nfs/dbraw/zinc/47/01/28/720470128.db2.gz NCNVLIYHFDRPBN-PMACEKPBSA-N 1 1 382.870 4.276 20 0 GIADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164732329 720479447 /nfs/dbraw/zinc/47/94/47/720479447.db2.gz ZDEGHTXTQXDEGH-JKSUJKDBSA-N 1 1 396.894 4.121 20 0 GIADMO FC(F)(Sc1ccc(Cl)nc1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164732329 720479457 /nfs/dbraw/zinc/47/94/57/720479457.db2.gz ZDEGHTXTQXDEGH-JKSUJKDBSA-N 1 1 396.894 4.121 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(Cl)cc1F)CC2 ZINC001164837044 720664101 /nfs/dbraw/zinc/66/41/01/720664101.db2.gz AXTBLJFENGYYEW-GOSISDBHSA-N 1 1 389.902 4.134 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(Cl)cc1F)CC2 ZINC001164837046 720664264 /nfs/dbraw/zinc/66/42/64/720664264.db2.gz AXTBLJFENGYYEW-SFHVURJKSA-N 1 1 389.902 4.134 20 0 GIADMO Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164840983 720684084 /nfs/dbraw/zinc/68/40/84/720684084.db2.gz GTUYLMUUTZXPAR-IBGZPJMESA-N 1 1 385.939 4.303 20 0 GIADMO Cc1ccc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1Cl ZINC001164863278 720967266 /nfs/dbraw/zinc/96/72/66/720967266.db2.gz ZMQSIGVRIIAKKO-CQSZACIVSA-N 1 1 397.901 4.206 20 0 GIADMO COc1ccc2c(C)cc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)nc2c1 ZINC001164858924 720977662 /nfs/dbraw/zinc/97/76/62/720977662.db2.gz JIBGZZKZTJEVPF-KRWDZBQOSA-N 1 1 393.535 4.170 20 0 GIADMO CSc1ccnc(Cl)c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164863431 720977836 /nfs/dbraw/zinc/97/78/36/720977836.db2.gz VKIHNTSZFIBSEH-ZDUSSCGKSA-N 1 1 379.961 4.075 20 0 GIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(C)(C)c1ccnc(Cl)c1)[C@@H]2C ZINC001164861021 721022536 /nfs/dbraw/zinc/02/25/36/721022536.db2.gz MUTKLWYEDHUBHS-OAHLLOKOSA-N 1 1 375.948 4.084 20 0 GIADMO c1ccc(-c2nc(-c3ccccc3)nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)n2)cc1 ZINC001164773746 721286727 /nfs/dbraw/zinc/28/67/27/721286727.db2.gz UFNBRGZWNONGSV-UHFFFAOYSA-N 1 1 397.526 4.128 20 0 GIADMO Cc1cccc2cc(Cl)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164785656 721435724 /nfs/dbraw/zinc/43/57/24/721435724.db2.gz NYTNKKKNIZFHPI-HZPDHXFCSA-N 1 1 384.936 4.221 20 0 GIADMO COc1cc(Cl)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791997 721494647 /nfs/dbraw/zinc/49/46/47/721494647.db2.gz IWEZRVOQUPFSOZ-UHFFFAOYSA-N 1 1 386.927 4.020 20 0 GIADMO Cc1ccc2nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ncc2c1 ZINC001164791583 721496139 /nfs/dbraw/zinc/49/61/39/721496139.db2.gz DVYRIPWWZJBEDG-UHFFFAOYSA-N 1 1 387.531 4.214 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164796372 721499778 /nfs/dbraw/zinc/49/97/78/721499778.db2.gz RZTXYRASXJMEMU-UHFFFAOYSA-N 1 1 399.542 4.420 20 0 GIADMO FC1(F)CCN(c2nccc3ccccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905617 721586079 /nfs/dbraw/zinc/58/60/79/721586079.db2.gz KGKMBTBLPJQWQJ-JOCHJYFZSA-N 1 1 394.469 4.368 20 0 GIADMO Cc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc2ccccc12 ZINC001164910042 721752396 /nfs/dbraw/zinc/75/23/96/721752396.db2.gz ZFFLIPVOBRLTQB-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc2ccccc12 ZINC001164910042 721752399 /nfs/dbraw/zinc/75/23/99/721752399.db2.gz ZFFLIPVOBRLTQB-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1cc(C(C)C)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909478 721765371 /nfs/dbraw/zinc/76/53/71/721765371.db2.gz BFJDRRRFXQQSOA-UHFFFAOYSA-N 1 1 391.519 4.091 20 0 GIADMO Cc1cc(C(C)C)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909478 721765373 /nfs/dbraw/zinc/76/53/73/721765373.db2.gz BFJDRRRFXQQSOA-UHFFFAOYSA-N 1 1 391.519 4.091 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4[nH]ccc43)C[C@H]21 ZINC001165027578 721805424 /nfs/dbraw/zinc/80/54/24/721805424.db2.gz WKQGCOUFWGWRKW-XFQXTVEOSA-N 1 1 395.938 4.348 20 0 GIADMO Cc1cccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c12 ZINC001165027649 721814088 /nfs/dbraw/zinc/81/40/88/721814088.db2.gz VKWKYRLWMQPCGY-CZTZKLFOSA-N 1 1 387.531 4.070 20 0 GIADMO Cc1cc(Cl)c(C)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024895 721817681 /nfs/dbraw/zinc/81/76/81/721817681.db2.gz KZRCTXBZRQBICM-DSKINZAPSA-N 1 1 384.955 4.484 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C(C)C)nc(C)n4)CC3)C2)cc1 ZINC001164938301 721920817 /nfs/dbraw/zinc/92/08/17/721920817.db2.gz KVKMRZZFLZRQJV-UHFFFAOYSA-N 1 1 394.563 4.088 20 0 GIADMO Clc1nnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2ccccc12 ZINC001164952699 722014114 /nfs/dbraw/zinc/01/41/14/722014114.db2.gz ACOZPXUFDQYTKH-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Clc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2c(n1)CCC2 ZINC001164952512 722015104 /nfs/dbraw/zinc/01/51/04/722015104.db2.gz MQIADOPVKOPHCG-UHFFFAOYSA-N 1 1 382.939 4.111 20 0 GIADMO Clc1ccc(Cl)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952952 722015800 /nfs/dbraw/zinc/01/58/00/722015800.db2.gz PLYOQSNQDPSTEW-UHFFFAOYSA-N 1 1 377.319 4.276 20 0 GIADMO Cc1csc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164993238 722191339 /nfs/dbraw/zinc/19/13/39/722191339.db2.gz DEVGGUDQPHBWLD-OAQYLSRUSA-N 1 1 382.508 4.384 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncnc4ccc(F)cc42)C3)c1 ZINC001164994725 722193823 /nfs/dbraw/zinc/19/38/23/722193823.db2.gz PLCAQUFGLAQSIL-QFIPXVFZSA-N 1 1 380.442 4.153 20 0 GIADMO Cc1nc2ccc(F)cc2c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995467 722196456 /nfs/dbraw/zinc/19/64/56/722196456.db2.gz VAIHRVJESFYVEV-QHCPKHFHSA-N 1 1 394.469 4.461 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)cc(C4CC4)n2)C3)c1 ZINC001164995678 722200880 /nfs/dbraw/zinc/20/08/80/722200880.db2.gz PDVYIGKQICCATH-OAQYLSRUSA-N 1 1 386.902 4.391 20 0 GIADMO CSc1cnc(Cl)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993719 722201437 /nfs/dbraw/zinc/20/14/37/722201437.db2.gz ADMPJBYBFXJXNF-LJQANCHMSA-N 1 1 392.931 4.236 20 0 GIADMO Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C(C)(C)C)n1 ZINC001164995009 722209188 /nfs/dbraw/zinc/20/91/88/722209188.db2.gz KJTOBRNJTWSPAL-HSZRJFAPSA-N 1 1 382.527 4.467 20 0 GIADMO CC(C)Sc1ccc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164998502 722210973 /nfs/dbraw/zinc/21/09/73/722210973.db2.gz WFFPPVAVDPVJFL-OAQYLSRUSA-N 1 1 386.540 4.361 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000458491524 823047198 /nfs/dbraw/zinc/04/71/98/823047198.db2.gz JZTLTHNMDJUUGN-ZRCGQRJVSA-N 1 1 394.563 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386.511 4.332 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000055855485 823054232 /nfs/dbraw/zinc/05/42/32/823054232.db2.gz BHUOCGCGGGCUQI-QHCPKHFHSA-N 1 1 376.431 4.346 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000055855453 823054377 /nfs/dbraw/zinc/05/43/77/823054377.db2.gz IAYLMQHBRJOPMA-QHCPKHFHSA-N 1 1 394.446 4.161 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC(C)(CC(F)(F)F)C2)cc1 ZINC000458545855 823053811 /nfs/dbraw/zinc/05/38/11/823053811.db2.gz ZCUNHYMHRNWUSF-CYBMUJFWSA-N 1 1 380.414 4.226 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ocnc1-c1ccccc1 ZINC000570591346 823058892 /nfs/dbraw/zinc/05/88/92/823058892.db2.gz JPSKFIZNJFAATB-MRXNPFEDSA-N 1 1 381.501 4.045 20 0 GIADMO COc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175864848 823058630 /nfs/dbraw/zinc/05/86/30/823058630.db2.gz FIBVAEUREQBKKS-AEFFLSMTSA-N 1 1 388.533 4.064 20 0 GIADMO Cn1c(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)nnc1-c1ccccc1 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CDJRRRSTKQMJEK-UHFFFAOYSA-N 1 1 394.446 4.072 20 0 GIADMO C[C@H]1C[C@H](CCNC(=O)N2CC(C)(CC(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000458606963 823062763 /nfs/dbraw/zinc/06/27/63/823062763.db2.gz WZBCXAXDFIXKLM-WMZOPIPTSA-N 1 1 397.485 4.271 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)N2CC(C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458613644 823063811 /nfs/dbraw/zinc/06/38/11/823063811.db2.gz JDZUUPZLIQRVPT-KSSFIOAISA-N 1 1 381.923 4.159 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CCc2sccc2C1 ZINC000055902113 823064015 /nfs/dbraw/zinc/06/40/15/823064015.db2.gz STTDIOTYEBPKIK-KRWDZBQOSA-N 1 1 395.528 4.044 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000175891756 823065010 /nfs/dbraw/zinc/06/50/10/823065010.db2.gz ODMKGCBNCYVGTF-NHCUHLMSSA-N 1 1 384.499 4.436 20 0 GIADMO C[C@@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458621832 823065133 /nfs/dbraw/zinc/06/51/33/823065133.db2.gz AYBUMKIGMLGMNI-WBVHZDCISA-N 1 1 379.495 4.251 20 0 GIADMO 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393.405 4.303 20 0 GIADMO C[C@H](O)C[N@@H+](C)C1CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341411 823165101 /nfs/dbraw/zinc/16/51/01/823165101.db2.gz WFDAXRYMRIACQZ-AVKJRPAMSA-N 1 1 394.559 4.056 20 0 GIADMO CCOc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)c21 ZINC000187971558 823165754 /nfs/dbraw/zinc/16/57/54/823165754.db2.gz YMBFVMXSLUMFMK-OALUTQOASA-N 1 1 397.563 4.222 20 0 GIADMO Cc1ccncc1CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000571327673 823165820 /nfs/dbraw/zinc/16/58/20/823165820.db2.gz ATRDDPBNHMRGMC-DEOSSOPVSA-N 1 1 387.527 4.370 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000121338278 823165877 /nfs/dbraw/zinc/16/58/77/823165877.db2.gz QSLYWCXPLBPECM-UHFFFAOYSA-N 1 1 390.478 4.013 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccccc2Cc2ccccc2)cn1 ZINC000056545639 823165980 /nfs/dbraw/zinc/16/59/80/823165980.db2.gz GLLRLWWVYLNVKG-UHFFFAOYSA-N 1 1 397.482 4.488 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C(C)C)C2(CO)CCC2)c1 ZINC000459345960 823167165 /nfs/dbraw/zinc/16/71/65/823167165.db2.gz BANSOAGESJBLBO-HXUWFJFHSA-N 1 1 398.551 4.364 20 0 GIADMO CC(C)N(Cc1ccc(F)cc1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000571345577 823168333 /nfs/dbraw/zinc/16/83/33/823168333.db2.gz KAHNRUFLXHCQCT-UHFFFAOYSA-N 1 1 388.393 4.395 20 0 GIADMO Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000571348536 823168948 /nfs/dbraw/zinc/16/89/48/823168948.db2.gz ZKHITCUWYKLOOL-WSTZPKSXSA-N 1 1 399.579 4.316 20 0 GIADMO CO[C@H](C)C(=O)Nc1cccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000571349590 823169251 /nfs/dbraw/zinc/16/92/51/823169251.db2.gz TZTBIJPQSUDJME-HMFYCAOWSA-N 1 1 381.520 4.125 20 0 GIADMO CO[C@H](C)C(=O)Nc1cccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000571349593 823169302 /nfs/dbraw/zinc/16/93/02/823169302.db2.gz TZTBIJPQSUDJME-SVMVAKDDSA-N 1 1 381.520 4.125 20 0 GIADMO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000571369788 823172886 /nfs/dbraw/zinc/17/28/86/823172886.db2.gz DNYBMPUPMMGWAJ-SDNWHVSQSA-N 1 1 378.385 4.261 20 0 GIADMO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000571369788 823172888 /nfs/dbraw/zinc/17/28/88/823172888.db2.gz DNYBMPUPMMGWAJ-SDNWHVSQSA-N 1 1 378.385 4.261 20 0 GIADMO Fc1ccc2nc([C@@H]3CCC[N@H+]([C@@H]4CCN(Cc5ccccc5)C4)C3)oc2c1 ZINC000459377700 823177215 /nfs/dbraw/zinc/17/72/15/823177215.db2.gz PWSYCFSZSKWJRY-UYAOXDASSA-N 1 1 379.479 4.421 20 0 GIADMO Fc1ccc2nc([C@@H]3CCCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)C3)oc2c1 ZINC000459377700 823177218 /nfs/dbraw/zinc/17/72/18/823177218.db2.gz PWSYCFSZSKWJRY-UYAOXDASSA-N 1 1 379.479 4.421 20 0 GIADMO Fc1ccc2nc([C@@H]3CCCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)C3)oc2c1 ZINC000459377700 823177219 /nfs/dbraw/zinc/17/72/19/823177219.db2.gz PWSYCFSZSKWJRY-UYAOXDASSA-N 1 1 379.479 4.421 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(C)c(C(F)(F)F)c2)cn1 ZINC000056577015 823173604 /nfs/dbraw/zinc/17/36/04/823173604.db2.gz HFNDNAZUCQQCAX-UHFFFAOYSA-N 1 1 389.381 4.225 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@]2(CO)CC(C)C)cc1OCc1cccnc1 ZINC000188034798 823174779 /nfs/dbraw/zinc/17/47/79/823174779.db2.gz OPEKYDOCIISOIL-QHCPKHFHSA-N 1 1 384.520 4.042 20 0 GIADMO COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(O)c2Br)cc1OC ZINC000459373949 823175855 /nfs/dbraw/zinc/17/58/55/823175855.db2.gz LDIKFZYSXNQSOQ-GFCCVEGCSA-N 1 1 380.282 4.331 20 0 GIADMO CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176309377 823178757 /nfs/dbraw/zinc/17/87/57/823178757.db2.gz LENYKHCSUVLYIA-FGTMMUONSA-N 1 1 398.555 4.014 20 0 GIADMO COCCCN1CCC([NH2+]Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459389896 823180921 /nfs/dbraw/zinc/18/09/21/823180921.db2.gz ARIORTMKBWPAML-UHFFFAOYSA-N 1 1 382.548 4.261 20 0 GIADMO c1c(CN[C@@H]2CC[N@H+](C3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459401734 823184458 /nfs/dbraw/zinc/18/44/58/823184458.db2.gz DUOCIVBOEDKEBW-LJQANCHMSA-N 1 1 379.552 4.167 20 0 GIADMO c1c(C[NH2+][C@@H]2CCN(C3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459401734 823184461 /nfs/dbraw/zinc/18/44/61/823184461.db2.gz DUOCIVBOEDKEBW-LJQANCHMSA-N 1 1 379.552 4.167 20 0 GIADMO CC(C)n1cnnc1-c1ccccc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000176336450 823185840 /nfs/dbraw/zinc/18/58/40/823185840.db2.gz XXSRPCRZAKRLKQ-UHFFFAOYSA-N 1 1 398.555 4.302 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc4ncccc4c3)c2)C[C@@H](C)O1 ZINC000121447947 823186287 /nfs/dbraw/zinc/18/62/87/823186287.db2.gz HFCMNCKTZDIELE-IAGOWNOFSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc4ncccc4c3)c2)C[C@H](C)O1 ZINC000121447779 823186403 /nfs/dbraw/zinc/18/64/03/823186403.db2.gz HFCMNCKTZDIELE-IRXDYDNUSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000459417854 823188328 /nfs/dbraw/zinc/18/83/28/823188328.db2.gz VZABKAOTIBOPLW-QZTJIDSGSA-N 1 1 399.510 4.314 20 0 GIADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000571480428 823189333 /nfs/dbraw/zinc/18/93/33/823189333.db2.gz JMLWDTORWOUOEI-FQEVSTJZSA-N 1 1 393.491 4.015 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459424121 823189631 /nfs/dbraw/zinc/18/96/31/823189631.db2.gz IKVUBQDAHHWAHS-OAHLLOKOSA-N 1 1 386.508 4.045 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000056649144 823190353 /nfs/dbraw/zinc/19/03/53/823190353.db2.gz DZUJFAMOYSGTBH-JZXOWHBKSA-N 1 1 388.556 4.077 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000056649145 823190398 /nfs/dbraw/zinc/19/03/98/823190398.db2.gz DZUJFAMOYSGTBH-SOLBZPMBSA-N 1 1 388.556 4.077 20 0 GIADMO O=c1cc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)nc(-c2ccccc2)[nH]1 ZINC000459430296 823190752 /nfs/dbraw/zinc/19/07/52/823190752.db2.gz XXNKUKVGBKGROA-UHFFFAOYSA-N 1 1 393.462 4.170 20 0 GIADMO O[C@H](C[C@H]1CCC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccco1 ZINC000121480849 823192330 /nfs/dbraw/zinc/19/23/30/823192330.db2.gz TYTMOCZOASMPKW-HZPDHXFCSA-N 1 1 399.516 4.358 20 0 GIADMO O[C@H](C[C@H]1CCC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccco1 ZINC000121480849 823192333 /nfs/dbraw/zinc/19/23/33/823192333.db2.gz TYTMOCZOASMPKW-HZPDHXFCSA-N 1 1 399.516 4.358 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000188140177 823192522 /nfs/dbraw/zinc/19/25/22/823192522.db2.gz XGQWVXGZTYRUPG-AWEZNQCLSA-N 1 1 382.430 4.093 20 0 GIADMO CC[N@@H+]1C[C@@H](C)N(Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000459451483 823194419 /nfs/dbraw/zinc/19/44/19/823194419.db2.gz AWEXMMFTIWJHMK-CALCHBBNSA-N 1 1 386.565 4.051 20 0 GIADMO COCc1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)no1 ZINC000459449264 823194551 /nfs/dbraw/zinc/19/45/51/823194551.db2.gz TYJMRBIKTNTMPT-HNAYVOBHSA-N 1 1 397.441 4.013 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1N1CCO[C@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000459452345 823194858 /nfs/dbraw/zinc/19/48/58/823194858.db2.gz BNTJWBWOXHFHOO-SJORKVTESA-N 1 1 394.544 4.281 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3CCC[C@H]3C3CCCCC3)nc2c1 ZINC000121501084 823195334 /nfs/dbraw/zinc/19/53/34/823195334.db2.gz BWFBHHSLWUPYKD-SFHVURJKSA-N 1 1 376.522 4.166 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+]3CCC[C@H]3C3CCCCC3)nc2c1 ZINC000121501084 823195335 /nfs/dbraw/zinc/19/53/35/823195335.db2.gz BWFBHHSLWUPYKD-SFHVURJKSA-N 1 1 376.522 4.166 20 0 GIADMO Cn1c2ccccc2nc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000176391248 823196929 /nfs/dbraw/zinc/19/69/29/823196929.db2.gz GSMLONDFPRVUIN-HXUWFJFHSA-N 1 1 377.513 4.371 20 0 GIADMO Cn1c2ccccc2nc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000176391248 823196932 /nfs/dbraw/zinc/19/69/32/823196932.db2.gz GSMLONDFPRVUIN-HXUWFJFHSA-N 1 1 377.513 4.371 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000188171143 823197492 /nfs/dbraw/zinc/19/74/92/823197492.db2.gz REIJRODXVVKIAN-MMOPVJDHSA-N 1 1 397.494 4.002 20 0 GIADMO O[C@@H](C[N@@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2)c1cccs1 ZINC000176393248 823197658 /nfs/dbraw/zinc/19/76/58/823197658.db2.gz XSPFHXMFPSCRJV-FQEVSTJZSA-N 1 1 399.487 4.490 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCOc2ccc(Br)cc2)c2ncc[nH]2)cc1 ZINC000188173954 823197884 /nfs/dbraw/zinc/19/78/84/823197884.db2.gz APQFPDVZTRSIAR-QGZVFWFLSA-N 1 1 390.256 4.069 20 0 GIADMO C[C@H]1CN(C(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)CC[N@H+](C2CCC2)C1 ZINC000571546030 823198971 /nfs/dbraw/zinc/19/89/71/823198971.db2.gz VNHCAWVJQPMGGE-QGGNESHTSA-N 1 1 398.513 4.468 20 0 GIADMO Cc1nnc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)n1C1CC1 ZINC000188187536 823200499 /nfs/dbraw/zinc/20/04/99/823200499.db2.gz RZZHURORILBQOF-QGZVFWFLSA-N 1 1 393.304 4.454 20 0 GIADMO CCN(C[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1)CC(F)(F)F ZINC000176403301 823200775 /nfs/dbraw/zinc/20/07/75/823200775.db2.gz YGVWVLRLEWVKDH-QWHCGFSZSA-N 1 1 388.459 4.065 20 0 GIADMO CCN(C[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1)CC(F)(F)F ZINC000176403301 823200781 /nfs/dbraw/zinc/20/07/81/823200781.db2.gz YGVWVLRLEWVKDH-QWHCGFSZSA-N 1 1 388.459 4.065 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)NCCCCn3cc[nH+]c3C)c2)cc1 ZINC000176402722 823200872 /nfs/dbraw/zinc/20/08/72/823200872.db2.gz DHZAPOZWCCFMIY-UHFFFAOYSA-N 1 1 398.532 4.208 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCO1 ZINC000459482241 823201590 /nfs/dbraw/zinc/20/15/90/823201590.db2.gz LNULBVHDTJUIGZ-IHLLOCCUSA-N 1 1 398.522 4.403 20 0 GIADMO O=C(CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1)Nc1ccc(Br)cc1 ZINC000571569783 823201659 /nfs/dbraw/zinc/20/16/59/823201659.db2.gz PGLZJQOEPDVEFG-HNNXBMFYSA-N 1 1 391.284 4.406 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)oc1C ZINC000056730618 823201951 /nfs/dbraw/zinc/20/19/51/823201951.db2.gz VHUSFGJKTUTWGN-OAQYLSRUSA-N 1 1 390.487 4.354 20 0 GIADMO Oc1cccc(C[NH+]2CCC3(CC2)OCCc2ccsc23)c1Br ZINC000459487223 823202601 /nfs/dbraw/zinc/20/26/01/823202601.db2.gz URFNYKDKIDZSAD-UHFFFAOYSA-N 1 1 394.334 4.280 20 0 GIADMO Cc1cnc([C@H](C)NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)s1 ZINC000176421966 823204926 /nfs/dbraw/zinc/20/49/26/823204926.db2.gz OKCBANYELDOBAE-RDJZCZTQSA-N 1 1 386.565 4.244 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459501712 823205741 /nfs/dbraw/zinc/20/57/41/823205741.db2.gz ORQXZODPZJMVEP-XJABCFGWSA-N 1 1 384.545 4.023 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056752652 823206997 /nfs/dbraw/zinc/20/69/97/823206997.db2.gz VUVRCNHLYJNSAU-JOCHJYFZSA-N 1 1 397.494 4.069 20 0 GIADMO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459508107 823207139 /nfs/dbraw/zinc/20/71/39/823207139.db2.gz APNXDWHQJXRVLS-KRWDZBQOSA-N 1 1 396.556 4.300 20 0 GIADMO OCC[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1cccc(F)c1 ZINC000459510484 823207615 /nfs/dbraw/zinc/20/76/15/823207615.db2.gz ORVKGZSIOUHYKU-UHFFFAOYSA-N 1 1 394.494 4.194 20 0 GIADMO CCOc1cc(C[N@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)ccc1O ZINC000459510784 823207776 /nfs/dbraw/zinc/20/77/76/823207776.db2.gz LUVSLNYPOVTUOR-UHFFFAOYSA-N 1 1 385.895 4.380 20 0 GIADMO CCOc1cc(C[N@@H+](Cc2cnn(C)c2)Cc2ccc(Cl)cc2)ccc1O ZINC000459510784 823207778 /nfs/dbraw/zinc/20/77/78/823207778.db2.gz LUVSLNYPOVTUOR-UHFFFAOYSA-N 1 1 385.895 4.380 20 0 GIADMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000571616625 823209751 /nfs/dbraw/zinc/20/97/51/823209751.db2.gz OJHLLFHWNHZGNA-IBGZPJMESA-N 1 1 394.425 4.497 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000459519639 823210007 /nfs/dbraw/zinc/21/00/07/823210007.db2.gz CXCVSRWHNZJYNJ-HXUWFJFHSA-N 1 1 387.545 4.070 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000459519639 823210012 /nfs/dbraw/zinc/21/00/12/823210012.db2.gz CXCVSRWHNZJYNJ-HXUWFJFHSA-N 1 1 387.545 4.070 20 0 GIADMO CCOc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc(Br)c1O ZINC000459527664 823211774 /nfs/dbraw/zinc/21/17/74/823211774.db2.gz NKPXLLROUYJRKB-ONGXEEELSA-N 1 1 382.220 4.326 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc(Br)c1O ZINC000459527664 823211779 /nfs/dbraw/zinc/21/17/79/823211779.db2.gz NKPXLLROUYJRKB-ONGXEEELSA-N 1 1 382.220 4.326 20 0 GIADMO c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NCc3cnc(C4CC4)nc3)C2)cc1 ZINC000459527134 823211884 /nfs/dbraw/zinc/21/18/84/823211884.db2.gz BEYCBXXIGHTEKN-BJKOFHAPSA-N 1 1 384.527 4.112 20 0 GIADMO c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NCc3cnc(C4CC4)nc3)C2)cc1 ZINC000459527134 823211886 /nfs/dbraw/zinc/21/18/86/823211886.db2.gz BEYCBXXIGHTEKN-BJKOFHAPSA-N 1 1 384.527 4.112 20 0 GIADMO CCOc1cc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)cc(Cl)c1O ZINC000459551784 823218462 /nfs/dbraw/zinc/21/84/62/823218462.db2.gz PFXDQNKZRLGLRC-UHFFFAOYSA-N 1 1 397.906 4.479 20 0 GIADMO COC(=O)c1cccc2c1CC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000459549931 823217939 /nfs/dbraw/zinc/21/79/39/823217939.db2.gz SHWSFDRZGSAISB-UHFFFAOYSA-N 1 1 394.515 4.175 20 0 GIADMO Fc1cccc(C[N@H+]2CCC[C@H](c3nc(COc4ccccc4F)no3)C2)c1 ZINC000188290019 823214804 /nfs/dbraw/zinc/21/48/04/823214804.db2.gz WXXBIIBMDCUAIW-INIZCTEOSA-N 1 1 385.414 4.306 20 0 GIADMO COc1ccc([C@@H](NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C(C)C)cc1 ZINC000056812166 823218094 /nfs/dbraw/zinc/21/80/94/823218094.db2.gz NWBDGBCZAKMUPK-NRFANRHFSA-N 1 1 375.557 4.154 20 0 GIADMO Cc1ccccc1-n1ncc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C(C)C ZINC000188292724 823215447 /nfs/dbraw/zinc/21/54/47/823215447.db2.gz RXXFDPYBHMDUJJ-YQQQUEKLSA-N 1 1 380.536 4.049 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000459550918 823218150 /nfs/dbraw/zinc/21/81/50/823218150.db2.gz UYPRBNNYPFZVOZ-SNVBAGLBSA-N 1 1 392.700 4.095 20 0 GIADMO Cc1cc(F)c(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c(Cl)c1 ZINC000459543156 823216341 /nfs/dbraw/zinc/21/63/41/823216341.db2.gz KSXTZAPBJXSSGG-LBPRGKRZSA-N 1 1 380.813 4.068 20 0 GIADMO Cc1cc(F)c(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c(Cl)c1 ZINC000459543156 823216345 /nfs/dbraw/zinc/21/63/45/823216345.db2.gz KSXTZAPBJXSSGG-LBPRGKRZSA-N 1 1 380.813 4.068 20 0 GIADMO Cc1ccc([C@H](OC[C@@H](O)C[N@@H+](C)CCc2ccccn2)c2ccccc2)cc1 ZINC000121625031 823218365 /nfs/dbraw/zinc/21/83/65/823218365.db2.gz HCQZYFSRISIMDG-LOSJGSFVSA-N 1 1 390.527 4.031 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000121651101 823222957 /nfs/dbraw/zinc/22/29/57/823222957.db2.gz JSWSCTWYEGLCJZ-HUUCEWRRSA-N 1 1 396.466 4.450 20 0 GIADMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459561959 823221004 /nfs/dbraw/zinc/22/10/04/823221004.db2.gz MJIUIUBDGVUPNV-JROMCTNRSA-N 1 1 392.543 4.074 20 0 GIADMO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1C(C)(C)C ZINC000409450984 823221346 /nfs/dbraw/zinc/22/13/46/823221346.db2.gz CQUUEACVCQNJJU-PKOBYXMFSA-N 1 1 382.552 4.327 20 0 GIADMO CCCc1c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000409453382 823222314 /nfs/dbraw/zinc/22/23/14/823222314.db2.gz OARPJPIHZNEWDE-VQIMIIECSA-N 1 1 381.520 4.044 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000571689462 823219086 /nfs/dbraw/zinc/21/90/86/823219086.db2.gz SXKWEGLCBQSTJW-DEOSSOPVSA-N 1 1 376.475 4.315 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCOc2c(C)cccc2C)cc1F ZINC000409459110 823224018 /nfs/dbraw/zinc/22/40/18/823224018.db2.gz ZZRNAVPNVGZRET-UHFFFAOYSA-N 1 1 381.451 4.022 20 0 GIADMO CCc1sc(-c2nnc(C[N@@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459580134 823224573 /nfs/dbraw/zinc/22/45/73/823224573.db2.gz JRRUQQIXEBFIDJ-HXUWFJFHSA-N 1 1 391.537 4.223 20 0 GIADMO CCc1sc(-c2nnc(C[N@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459580134 823224576 /nfs/dbraw/zinc/22/45/76/823224576.db2.gz JRRUQQIXEBFIDJ-HXUWFJFHSA-N 1 1 391.537 4.223 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000459580325 823224662 /nfs/dbraw/zinc/22/46/62/823224662.db2.gz PDMXSXZIBQBXQQ-KJXAQDMKSA-N 1 1 381.516 4.032 20 0 GIADMO CCSc1cccc(Br)c1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000571724886 823225529 /nfs/dbraw/zinc/22/55/29/823225529.db2.gz RKYXFBMFIDELQA-NWDGAFQWSA-N 1 1 386.359 4.117 20 0 GIADMO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1 ZINC000188373143 823228511 /nfs/dbraw/zinc/22/85/11/823228511.db2.gz WUBGKXFRCCCJDJ-UHFFFAOYSA-N 1 1 377.282 4.249 20 0 GIADMO Cc1ccc(-c2noc(CCC[N@@H+](Cc3cnn(C)c3)CC(C)C)n2)cc1F ZINC000459598114 823227600 /nfs/dbraw/zinc/22/76/00/823227600.db2.gz UTSUZJQYQOXXMY-UHFFFAOYSA-N 1 1 385.487 4.008 20 0 GIADMO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000409477018 823229496 /nfs/dbraw/zinc/22/94/96/823229496.db2.gz VCHFLMCFVOJOQL-BXUZGUMPSA-N 1 1 387.332 4.486 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000176541168 823232852 /nfs/dbraw/zinc/23/28/52/823232852.db2.gz YDJFBAFIRFIJOI-HKUYNNGSSA-N 1 1 386.565 4.066 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)c3cncc(F)c3)n2)cc1C ZINC000459618814 823230578 /nfs/dbraw/zinc/23/05/78/823230578.db2.gz GBAKFIXETKRTDC-AWEZNQCLSA-N 1 1 384.480 4.250 20 0 GIADMO CC[C@@H](C(=O)Nc1ccccc1NC(=O)NC(C)C)[N@@H+](C)Cc1ccccc1 ZINC000571772329 823232926 /nfs/dbraw/zinc/23/29/26/823232926.db2.gz MQHHRZLKNJCXFP-FQEVSTJZSA-N 1 1 382.508 4.066 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1cccc(Br)c1 ZINC000459633060 823233464 /nfs/dbraw/zinc/23/34/64/823233464.db2.gz KFVZRKICWPUHRI-MNOVXSKESA-N 1 1 394.338 4.072 20 0 GIADMO COCc1ccccc1/C=C(/C)C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000571781372 823233613 /nfs/dbraw/zinc/23/36/13/823233613.db2.gz OUAGCZWNDOJIAG-SDXDJHTJSA-N 1 1 377.488 4.461 20 0 GIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC3CCC4(CC3)OCCO4)c2C1 ZINC000188398068 823233640 /nfs/dbraw/zinc/23/36/40/823233640.db2.gz HBLQYBZSPFFZPW-UHFFFAOYSA-N 1 1 386.536 4.310 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000459633792 823233719 /nfs/dbraw/zinc/23/37/19/823233719.db2.gz LWRWNNREQWRMHI-VXGBXAGGSA-N 1 1 395.931 4.122 20 0 GIADMO Clc1cccc(-c2nnc(C[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@H]43)o2)c1 ZINC000571785183 823234062 /nfs/dbraw/zinc/23/40/62/823234062.db2.gz IODBZNZAVSKCRY-HSALFYBXSA-N 1 1 395.890 4.395 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1nc2c(s1)CCC2 ZINC000459634393 823234141 /nfs/dbraw/zinc/23/41/41/823234141.db2.gz MUHSTZDSXGCDAL-SJKOYZFVSA-N 1 1 377.579 4.248 20 0 GIADMO C[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409511249 823237606 /nfs/dbraw/zinc/23/76/06/823237606.db2.gz WARFNUSQLNZOMI-ZDUSSCGKSA-N 1 1 382.451 4.045 20 0 GIADMO C[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409511249 823237611 /nfs/dbraw/zinc/23/76/11/823237611.db2.gz WARFNUSQLNZOMI-ZDUSSCGKSA-N 1 1 382.451 4.045 20 0 GIADMO Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)s2)cn1 ZINC000459642417 823235995 /nfs/dbraw/zinc/23/59/95/823235995.db2.gz BRLOEYHNVYAUBL-KRWDZBQOSA-N 1 1 399.482 4.330 20 0 GIADMO COc1ccc(OCCC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459644891 823236972 /nfs/dbraw/zinc/23/69/72/823236972.db2.gz PSOWNHOVLFBWOD-GOSISDBHSA-N 1 1 387.442 4.145 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1SC ZINC000459647554 823238073 /nfs/dbraw/zinc/23/80/73/823238073.db2.gz ABWZKEFRTLMQFM-MAUKXSAKSA-N 1 1 385.533 4.374 20 0 GIADMO CCN(CC(C)C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992580 823238427 /nfs/dbraw/zinc/23/84/27/823238427.db2.gz PWVUKTWAGNOVKF-UHFFFAOYSA-N 1 1 385.474 4.357 20 0 GIADMO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000176587126 823242463 /nfs/dbraw/zinc/24/24/63/823242463.db2.gz YOCJRWPZLUQGJS-GJZGRUSLSA-N 1 1 391.968 4.169 20 0 GIADMO CCN(C(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459651495 823239616 /nfs/dbraw/zinc/23/96/16/823239616.db2.gz ZCDIKCQXVHECDL-AEFFLSMTSA-N 1 1 398.469 4.109 20 0 GIADMO COc1ccc2c(C[N@@H+](C)Cc3ccc(OC(F)F)cc3)cc(=O)oc2c1 ZINC000057024662 823240610 /nfs/dbraw/zinc/24/06/10/823240610.db2.gz GELZMDKDRBAGCQ-UHFFFAOYSA-N 1 1 375.371 4.035 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2cncc(Br)c2)CC12CCOCC2 ZINC000459655369 823241166 /nfs/dbraw/zinc/24/11/66/823241166.db2.gz GGXAKHXMBUCNQJ-AWEZNQCLSA-N 1 1 393.247 4.025 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cncc(Br)c2)CC12CCOCC2 ZINC000459655369 823241172 /nfs/dbraw/zinc/24/11/72/823241172.db2.gz GGXAKHXMBUCNQJ-AWEZNQCLSA-N 1 1 393.247 4.025 20 0 GIADMO Cc1ccccc1C1(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCC1 ZINC000409527277 823241706 /nfs/dbraw/zinc/24/17/06/823241706.db2.gz CIBNXZZXOIQDQY-IBGZPJMESA-N 1 1 378.516 4.449 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CC3CC(c4ccccc4)C3)c2)CCO1 ZINC000409529124 823242242 /nfs/dbraw/zinc/24/22/42/823242242.db2.gz RYCDGSMQSITBHZ-BJRAERQBSA-N 1 1 392.543 4.107 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3CC(c4ccccc4)C3)c2)CCO1 ZINC000409529124 823242248 /nfs/dbraw/zinc/24/22/48/823242248.db2.gz RYCDGSMQSITBHZ-BJRAERQBSA-N 1 1 392.543 4.107 20 0 GIADMO Fc1ccc(-n2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)n2)cc1 ZINC000459661619 823243866 /nfs/dbraw/zinc/24/38/66/823243866.db2.gz MSTBUIVKHBLKQJ-GOSISDBHSA-N 1 1 397.416 4.192 20 0 GIADMO Fc1ccc(-n2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)n2)cc1 ZINC000459661619 823243869 /nfs/dbraw/zinc/24/38/69/823243869.db2.gz MSTBUIVKHBLKQJ-GOSISDBHSA-N 1 1 397.416 4.192 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674711 823248012 /nfs/dbraw/zinc/24/80/12/823248012.db2.gz ZXJNWPVUOKGODQ-IAGOWNOFSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674711 823248017 /nfs/dbraw/zinc/24/80/17/823248017.db2.gz ZXJNWPVUOKGODQ-IAGOWNOFSA-N 1 1 398.469 4.311 20 0 GIADMO Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000121778909 823248941 /nfs/dbraw/zinc/24/89/41/823248941.db2.gz UTUBEXDSEDLUDV-INIZCTEOSA-N 1 1 392.894 4.152 20 0 GIADMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(C(F)(F)F)c1 ZINC000121792401 823252500 /nfs/dbraw/zinc/25/25/00/823252500.db2.gz OYHFIVVZAKYJST-CQSZACIVSA-N 1 1 378.373 4.267 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+](C)[C@H]3CCC[C@H]3c3ccccc3)nc2c1 ZINC000571881376 823249405 /nfs/dbraw/zinc/24/94/05/823249405.db2.gz BJNCBFCOEQRYNG-ICSRJNTNSA-N 1 1 398.528 4.390 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+](C)[C@H]3CCC[C@H]3c3ccccc3)nc2c1 ZINC000571881376 823249408 /nfs/dbraw/zinc/24/94/08/823249408.db2.gz BJNCBFCOEQRYNG-ICSRJNTNSA-N 1 1 398.528 4.390 20 0 GIADMO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000176617765 823250244 /nfs/dbraw/zinc/25/02/44/823250244.db2.gz XOFWHBUAXGKDIE-NVXWUHKLSA-N 1 1 388.581 4.237 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(Br)cc2F)[C@@H]1O ZINC000459694538 823252106 /nfs/dbraw/zinc/25/21/06/823252106.db2.gz LHDAERKGVNGLFK-HIFRSBDPSA-N 1 1 386.286 4.013 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CSc3ccc(F)cc3)C2)s1 ZINC000571904889 823252153 /nfs/dbraw/zinc/25/21/53/823252153.db2.gz RNJVMZMVWNONOT-MRXNPFEDSA-N 1 1 392.565 4.268 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3ccc(F)c(Cl)c3)c2)CCO1 ZINC000409596871 823257622 /nfs/dbraw/zinc/25/76/22/823257622.db2.gz KFKPFZAWURJLCL-AWEZNQCLSA-N 1 1 391.874 4.022 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(F)c(Cl)c3)c2)CCO1 ZINC000409596871 823257631 /nfs/dbraw/zinc/25/76/31/823257631.db2.gz KFKPFZAWURJLCL-AWEZNQCLSA-N 1 1 391.874 4.022 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)C/C=C/c3ccc(C)cc3)CC2)cs1 ZINC000176634476 823254060 /nfs/dbraw/zinc/25/40/60/823254060.db2.gz CLZUUOFYZHNNQO-SNAWJCMRSA-N 1 1 397.588 4.446 20 0 GIADMO COc1cc(-c2noc(C[N@H+]3C[C@H](C)CC(C)(C)C3)n2)ccc1OC(F)F ZINC000571920536 823254289 /nfs/dbraw/zinc/25/42/89/823254289.db2.gz XJLJUJBHBLXOJK-GFCCVEGCSA-N 1 1 381.423 4.215 20 0 GIADMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459707655 823254542 /nfs/dbraw/zinc/25/45/42/823254542.db2.gz JMPJZSFCJKVSRF-JOCHJYFZSA-N 1 1 394.563 4.073 20 0 GIADMO C[C@@H](CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000409584589 823254637 /nfs/dbraw/zinc/25/46/37/823254637.db2.gz LJDQWDVRMUNLJL-KBPBESRZSA-N 1 1 396.478 4.433 20 0 GIADMO C[C@@H](CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[N@H+]1CCc2sccc2C1 ZINC000409584589 823254638 /nfs/dbraw/zinc/25/46/38/823254638.db2.gz LJDQWDVRMUNLJL-KBPBESRZSA-N 1 1 396.478 4.433 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC(C)C ZINC000571933279 823256392 /nfs/dbraw/zinc/25/63/92/823256392.db2.gz JRHRFODTAFQJKX-IBGZPJMESA-N 1 1 383.492 4.003 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC(C)C ZINC000571933279 823256394 /nfs/dbraw/zinc/25/63/94/823256394.db2.gz JRHRFODTAFQJKX-IBGZPJMESA-N 1 1 383.492 4.003 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(N(C)C)c3ccccc3n2)C1 ZINC000571933707 823256530 /nfs/dbraw/zinc/25/65/30/823256530.db2.gz ZMEUAAXMNSPVLN-MOPGFXCFSA-N 1 1 394.563 4.027 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057172625 823258682 /nfs/dbraw/zinc/25/86/82/823258682.db2.gz QIHDCLWCCNUAFC-SFHVURJKSA-N 1 1 381.476 4.106 20 0 GIADMO COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000057173016 823259056 /nfs/dbraw/zinc/25/90/56/823259056.db2.gz QPPJMGQZFXRTRG-KRWDZBQOSA-N 1 1 376.460 4.033 20 0 GIADMO O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000571949131 823259028 /nfs/dbraw/zinc/25/90/28/823259028.db2.gz GCRZVONYYOLTOV-UHFFFAOYSA-N 1 1 389.455 4.125 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(OCc2cccnc2)c1 ZINC000459743438 823259241 /nfs/dbraw/zinc/25/92/41/823259241.db2.gz CLRDQYVTWNEKRL-XZOQPEGZSA-N 1 1 396.531 4.042 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)[nH+]c1 ZINC000176662666 823260806 /nfs/dbraw/zinc/26/08/06/823260806.db2.gz XZNRGPYQLPJLFM-UHFFFAOYSA-N 1 1 385.939 4.397 20 0 GIADMO O=C(c1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1)N1CCCC1 ZINC000121851859 823263339 /nfs/dbraw/zinc/26/33/39/823263339.db2.gz KJFPSWUHKDKAHO-FGZHOGPDSA-N 1 1 396.531 4.384 20 0 GIADMO Cc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c1C ZINC000188562631 823262492 /nfs/dbraw/zinc/26/24/92/823262492.db2.gz SODYQDGESVXRNV-KRWDZBQOSA-N 1 1 379.504 4.241 20 0 GIADMO Brc1ccc2oc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000571989370 823266154 /nfs/dbraw/zinc/26/61/54/823266154.db2.gz YIGGOCMXCNNJIM-RDJZCZTQSA-N 1 1 377.282 4.124 20 0 GIADMO Brc1ccc2oc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000571989370 823266159 /nfs/dbraw/zinc/26/61/59/823266159.db2.gz YIGGOCMXCNNJIM-RDJZCZTQSA-N 1 1 377.282 4.124 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409629647 823266784 /nfs/dbraw/zinc/26/67/84/823266784.db2.gz HJTQHGGDHHIITP-HKUYNNGSSA-N 1 1 379.495 4.118 20 0 GIADMO C[C@H](NC(=O)NC[C@@H]1CCCC(F)(F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409630738 823267013 /nfs/dbraw/zinc/26/70/13/823267013.db2.gz HIOLMJDFJKWDQR-QXAKKESOSA-N 1 1 379.495 4.022 20 0 GIADMO Cc1nc([C@H](C)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000572001515 823267905 /nfs/dbraw/zinc/26/79/05/823267905.db2.gz XKHKGNKMFUBMDU-QMIHWGKISA-N 1 1 389.927 4.193 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(Cc3nnc4n3CCC4)cc2)C1 ZINC000188596745 823269453 /nfs/dbraw/zinc/26/94/53/823269453.db2.gz JCMIGDFVCAGRAL-GCJKJVERSA-N 1 1 387.531 4.063 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCc1cccc(Br)c1 ZINC000121906740 823274398 /nfs/dbraw/zinc/27/43/98/823274398.db2.gz CQTWYQYHEQRKCO-INIZCTEOSA-N 1 1 381.358 4.153 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000409647112 823272937 /nfs/dbraw/zinc/27/29/37/823272937.db2.gz YSXNWKBYIRRAEB-QZTJIDSGSA-N 1 1 377.916 4.410 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)C2(CCF)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000572052790 823274958 /nfs/dbraw/zinc/27/49/58/823274958.db2.gz KWSYUROCJWYTEY-NVXWUHKLSA-N 1 1 386.433 4.344 20 0 GIADMO COC(=O)c1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1F ZINC000121929326 823278996 /nfs/dbraw/zinc/27/89/96/823278996.db2.gz KUBFYBJADPFYMF-APWZRJJASA-N 1 1 375.440 4.074 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121931510 823279294 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391.540 4.408 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@H]3C)o2)cc1F ZINC000409870455 823331288 /nfs/dbraw/zinc/33/12/88/823331288.db2.gz OCYICLSAFMHPBW-NKGKWGDASA-N 1 1 393.462 4.456 20 0 GIADMO O=C(CSc1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988631 818381684 /nfs/dbraw/zinc/38/16/84/818381684.db2.gz XRUSJOSBZUBTJD-QGZVFWFLSA-N 1 1 378.925 4.369 20 0 GIADMO C[NH+](C)CCOc1ccccc1CN[C@H]1CCc2cc(Br)ccc21 ZINC000122289927 823332998 /nfs/dbraw/zinc/33/29/98/823332998.db2.gz WRZWXZWMTACZMS-IBGZPJMESA-N 1 1 389.337 4.167 20 0 GIADMO C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)[N@@H+]1CCc2sccc2C1 ZINC000409892172 823337377 /nfs/dbraw/zinc/33/73/77/823337377.db2.gz QOJXNWVMOPUCLW-YGTYDBBMSA-N 1 1 384.545 4.131 20 0 GIADMO C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)[N@H+]1CCc2sccc2C1 ZINC000409892172 823337384 /nfs/dbraw/zinc/33/73/84/823337384.db2.gz QOJXNWVMOPUCLW-YGTYDBBMSA-N 1 1 384.545 4.131 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C1 ZINC000460267993 823335322 /nfs/dbraw/zinc/33/53/22/823335322.db2.gz NWNPUQVPGVSFAO-OFNKIYASSA-N 1 1 395.547 4.010 20 0 GIADMO C[NH+](C)Cc1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1Br ZINC000572416954 823335744 /nfs/dbraw/zinc/33/57/44/823335744.db2.gz MAQVKCJDFCVIKP-UHFFFAOYSA-N 1 1 391.187 4.375 20 0 GIADMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1OCC ZINC000016339201 818425932 /nfs/dbraw/zinc/42/59/32/818425932.db2.gz WHCKSTVBKHWQCS-FQEVSTJZSA-N 1 1 398.503 4.268 20 0 GIADMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1OCC ZINC000016339201 818425935 /nfs/dbraw/zinc/42/59/35/818425935.db2.gz WHCKSTVBKHWQCS-FQEVSTJZSA-N 1 1 398.503 4.268 20 0 GIADMO O=C(C1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1)N1CCCCC1 ZINC000016339941 818427012 /nfs/dbraw/zinc/42/70/12/818427012.db2.gz UEVZQPPMHPTABE-UHFFFAOYSA-N 1 1 387.911 4.220 20 0 GIADMO COc1cccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000016356252 818428488 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O=C(Nc1cccc(CCC(F)(F)F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000176970994 823338657 /nfs/dbraw/zinc/33/86/57/823338657.db2.gz VJWSLLLNXCOXLL-IBGZPJMESA-N 1 1 392.421 4.021 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000572438080 823339033 /nfs/dbraw/zinc/33/90/33/823339033.db2.gz AEHVHDCBSKOOCS-GNISGLHKSA-N 1 1 376.566 4.035 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000572446519 823340992 /nfs/dbraw/zinc/34/09/92/823340992.db2.gz YNFGUIHRRUYAHN-VOJFVSQTSA-N 1 1 395.334 4.412 20 0 GIADMO CCc1ccc(-c2nc(CC(=O)N(C)[C@H]3CC[N@H+](CC)C[C@@H]3C)cs2)cc1 ZINC000122352442 823342628 /nfs/dbraw/zinc/34/26/28/823342628.db2.gz ZFLKRRWTMZNLDZ-JXFKEZNVSA-N 1 1 385.577 4.104 20 0 GIADMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1OCC ZINC000057875594 823343873 /nfs/dbraw/zinc/34/38/73/823343873.db2.gz KCYTXCNTTXSVSN-AWEZNQCLSA-N 1 1 376.884 4.427 20 0 GIADMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000018941818 818581604 /nfs/dbraw/zinc/58/16/04/818581604.db2.gz AAMFAUIVIGOKRE-MRXNPFEDSA-N 1 1 376.456 4.070 20 0 GIADMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000018941818 818581606 /nfs/dbraw/zinc/58/16/06/818581606.db2.gz AAMFAUIVIGOKRE-MRXNPFEDSA-N 1 1 376.456 4.070 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000189047772 823347953 /nfs/dbraw/zinc/34/79/53/823347953.db2.gz UOSQSHADWSJTRS-AWEZNQCLSA-N 1 1 387.749 4.087 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000189047772 823347961 /nfs/dbraw/zinc/34/79/61/823347961.db2.gz UOSQSHADWSJTRS-AWEZNQCLSA-N 1 1 387.749 4.087 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000189051174 823348735 /nfs/dbraw/zinc/34/87/35/823348735.db2.gz HVNHUNSCVGRUCU-HNAYVOBHSA-N 1 1 395.503 4.401 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(OCCCOC)CC1 ZINC000122431922 823353280 /nfs/dbraw/zinc/35/32/80/823353280.db2.gz MRMKMDVJQTZALL-ZWKOTPCHSA-N 1 1 376.541 4.045 20 0 GIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2)C[C@H](C)O1 ZINC000021056135 818650548 /nfs/dbraw/zinc/65/05/48/818650548.db2.gz USKKEAOOWOMFED-HDICACEKSA-N 1 1 382.504 4.097 20 0 GIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2)C[C@H](C)O1 ZINC000021056135 818650554 /nfs/dbraw/zinc/65/05/54/818650554.db2.gz USKKEAOOWOMFED-HDICACEKSA-N 1 1 382.504 4.097 20 0 GIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(-c3ccccc3Cl)o2)C[C@H](C)O1 ZINC000021058089 818650967 /nfs/dbraw/zinc/65/09/67/818650967.db2.gz QLEBZMIYHAOYKH-GASCZTMLSA-N 1 1 390.911 4.218 20 0 GIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(-c3ccccc3Cl)o2)C[C@H](C)O1 ZINC000021058089 818650974 /nfs/dbraw/zinc/65/09/74/818650974.db2.gz QLEBZMIYHAOYKH-GASCZTMLSA-N 1 1 390.911 4.218 20 0 GIADMO CCCc1noc2nc(CC)cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC000409959900 823354371 /nfs/dbraw/zinc/35/43/71/823354371.db2.gz MPIUTDXLLKRDIH-JKSUJKDBSA-N 1 1 398.551 4.121 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+](C3CC3)C3CCC(C)CC3)cs2)c1C ZINC000177034505 823355488 /nfs/dbraw/zinc/35/54/88/823355488.db2.gz ONYIQZMWZOGXOZ-UHFFFAOYSA-N 1 1 386.565 4.064 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)C1 ZINC000177030594 823354413 /nfs/dbraw/zinc/35/44/13/823354413.db2.gz MEYXBZLWHYCEAP-QGZVFWFLSA-N 1 1 388.556 4.175 20 0 GIADMO CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057960379 823350399 /nfs/dbraw/zinc/35/03/99/823350399.db2.gz TWPKNBVHNMEABZ-GOSISDBHSA-N 1 1 387.568 4.475 20 0 GIADMO COc1ccc(C[N@@H+](CCC(=O)Nc2cc(N)ccc2F)[C@H](C)C2CC2)cc1 ZINC000177020922 823351046 /nfs/dbraw/zinc/35/10/46/823351046.db2.gz CYQWTFMMCDRQEM-OAHLLOKOSA-N 1 1 385.483 4.046 20 0 GIADMO CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000460332401 823356460 /nfs/dbraw/zinc/35/64/60/823356460.db2.gz ZBFFHLSULAJRAJ-MZLICYQSSA-N 1 1 394.559 4.389 20 0 GIADMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000058051702 823357556 /nfs/dbraw/zinc/35/75/56/823357556.db2.gz KLFBJWIPWNVZPI-UHFFFAOYSA-N 1 1 382.533 4.238 20 0 GIADMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000058051702 823357563 /nfs/dbraw/zinc/35/75/63/823357563.db2.gz KLFBJWIPWNVZPI-UHFFFAOYSA-N 1 1 382.533 4.238 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000177044670 823358373 /nfs/dbraw/zinc/35/83/73/823358373.db2.gz BINDAISNQDXJFE-UHFFFAOYSA-N 1 1 397.494 4.116 20 0 GIADMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000177044808 823358535 /nfs/dbraw/zinc/35/85/35/823358535.db2.gz AYNXSUSPOLNZQO-UHFFFAOYSA-N 1 1 386.503 4.010 20 0 GIADMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000177044808 823358542 /nfs/dbraw/zinc/35/85/42/823358542.db2.gz AYNXSUSPOLNZQO-UHFFFAOYSA-N 1 1 386.503 4.010 20 0 GIADMO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2cc(=O)n3ccccc3n2)s1 ZINC000058068369 823358985 /nfs/dbraw/zinc/35/89/85/823358985.db2.gz BKWGLVRCYHGQCT-UHFFFAOYSA-N 1 1 389.524 4.309 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCCCc2ccc(F)cc2)cn1 ZINC000189122130 823360442 /nfs/dbraw/zinc/36/04/42/823360442.db2.gz NQBUWJLWKBDUGH-UHFFFAOYSA-N 1 1 380.467 4.134 20 0 GIADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000409977794 823360509 /nfs/dbraw/zinc/36/05/09/823360509.db2.gz GSKWZETYMFRSBS-CABCVRRESA-N 1 1 389.590 4.092 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000409978499 823360524 /nfs/dbraw/zinc/36/05/24/823360524.db2.gz JBBGNGDJAUDOHF-LJQANCHMSA-N 1 1 388.515 4.001 20 0 GIADMO O=C(CCC(=O)c1ccc2c(c1)CCCC2)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000058080806 823360651 /nfs/dbraw/zinc/36/06/51/823360651.db2.gz BCDHFGAQLQFSPC-NRFANRHFSA-N 1 1 394.515 4.075 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000189123525 823360641 /nfs/dbraw/zinc/36/06/41/823360641.db2.gz HIDKAURCFWWAJF-IBGZPJMESA-N 1 1 393.556 4.346 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2ccc(F)nc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000189129752 823361996 /nfs/dbraw/zinc/36/19/96/823361996.db2.gz INJZKBXNIFJGNQ-JOCHJYFZSA-N 1 1 398.503 4.120 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177065767 823362875 /nfs/dbraw/zinc/36/28/75/823362875.db2.gz GWNLFFYIMRFZRC-HAWMADMCSA-N 1 1 390.574 4.391 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177065767 823362882 /nfs/dbraw/zinc/36/28/82/823362882.db2.gz GWNLFFYIMRFZRC-HAWMADMCSA-N 1 1 390.574 4.391 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)Nc1cccc(Cl)c1 ZINC000460357973 823363128 /nfs/dbraw/zinc/36/31/28/823363128.db2.gz JMBXAMPWCIWXCF-YPGOJHLTSA-N 1 1 385.939 4.025 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000409992591 823365276 /nfs/dbraw/zinc/36/52/76/823365276.db2.gz LOLOMOOTDZPXFE-QGZVFWFLSA-N 1 1 394.544 4.063 20 0 GIADMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc(F)c1)N[C@@H]1CCOc2ccccc21 ZINC000122514602 823365464 /nfs/dbraw/zinc/36/54/64/823365464.db2.gz FKWFVPYKFGXDLF-ZJSXRUAMSA-N 1 1 390.458 4.145 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000189151105 823365738 /nfs/dbraw/zinc/36/57/38/823365738.db2.gz KFHGXCSNAPJISE-AWEZNQCLSA-N 1 1 381.442 4.232 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000177081868 823366466 /nfs/dbraw/zinc/36/64/66/823366466.db2.gz QNVOEGOXBLHPSU-SFHVURJKSA-N 1 1 393.915 4.180 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000177081868 823366470 /nfs/dbraw/zinc/36/64/70/823366470.db2.gz QNVOEGOXBLHPSU-SFHVURJKSA-N 1 1 393.915 4.180 20 0 GIADMO Cc1cc(C(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c(C)n1Cc1cccs1 ZINC000189155045 823366592 /nfs/dbraw/zinc/36/65/92/823366592.db2.gz KOWMRRRYUXEHDP-QFIPXVFZSA-N 1 1 386.561 4.288 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc(F)cn2)cc1)C[C@H]1CCCCO1 ZINC000409999754 823367687 /nfs/dbraw/zinc/36/76/87/823367687.db2.gz QJJVYADOGWIGII-HXUWFJFHSA-N 1 1 385.483 4.253 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)c2nc3c(s2)CCC3)cc1 ZINC000572602898 823368096 /nfs/dbraw/zinc/36/80/96/823368096.db2.gz ZOEBNKGPOCMWDD-KBPBESRZSA-N 1 1 395.532 4.247 20 0 GIADMO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cn2c(=S)[nH]nc2Cc2cccs2)c1 ZINC000058205961 823368605 /nfs/dbraw/zinc/36/86/05/823368605.db2.gz YNMBSUVHAVQIAS-INIZCTEOSA-N 1 1 388.537 4.397 20 0 GIADMO CC(C)CCC[C@H](C)NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000177090003 823368619 /nfs/dbraw/zinc/36/86/19/823368619.db2.gz QNTKNLALYNZTSN-SFHVURJKSA-N 1 1 398.551 4.324 20 0 GIADMO Fc1cccc(C[C@@H]2CCC[N@H+]2Cn2c(=S)[nH]nc2Cc2cccs2)c1 ZINC000058205961 823368609 /nfs/dbraw/zinc/36/86/09/823368609.db2.gz YNMBSUVHAVQIAS-INIZCTEOSA-N 1 1 388.537 4.397 20 0 GIADMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3c(C)cc(C)cc3Cl)CC2)c1 ZINC000022773538 818858786 /nfs/dbraw/zinc/85/87/86/818858786.db2.gz JOCAFOSLVPBVTE-UHFFFAOYSA-N 1 1 385.939 4.022 20 0 GIADMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000058212882 823369140 /nfs/dbraw/zinc/36/91/40/823369140.db2.gz SPQTXLGMRGHSOP-HNNXBMFYSA-N 1 1 381.476 4.448 20 0 GIADMO Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3c(C)cc(C)cc3Cl)CC2)cc1 ZINC000022831443 818864788 /nfs/dbraw/zinc/86/47/88/818864788.db2.gz QCDUYGHQROUJFA-UHFFFAOYSA-N 1 1 399.966 4.412 20 0 GIADMO C[NH+]1CCN([C@H](CNC(=O)Nc2cccc3ccccc32)c2cccs2)CC1 ZINC000022893615 818873029 /nfs/dbraw/zinc/87/30/29/818873029.db2.gz FYRHEQAEMJQAKS-HXUWFJFHSA-N 1 1 394.544 4.012 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000022983390 818884483 /nfs/dbraw/zinc/88/44/83/818884483.db2.gz RHEAPIWMIFFMMH-UHFFFAOYSA-N 1 1 397.538 4.270 20 0 GIADMO CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000122554497 823371443 /nfs/dbraw/zinc/37/14/43/823371443.db2.gz LMZVUUNNKKXFCB-VQTJNVASSA-N 1 1 377.598 4.342 20 0 GIADMO COc1cc(Br)ccc1C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000189185044 823372028 /nfs/dbraw/zinc/37/20/28/823372028.db2.gz WJCYLEIVJKKPOL-UHFFFAOYSA-N 1 1 394.700 4.288 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000189187048 823372305 /nfs/dbraw/zinc/37/23/05/823372305.db2.gz FKPKTFNABDSQGO-XHDPSFHLSA-N 1 1 393.409 4.024 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000058275376 823373870 /nfs/dbraw/zinc/37/38/70/823373870.db2.gz RSOYWUPJBPMUTQ-MRXNPFEDSA-N 1 1 388.943 4.111 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)C(CC)(CC)Cc2nc3ccccc3s2)C1 ZINC000058275310 823374161 /nfs/dbraw/zinc/37/41/61/823374161.db2.gz GSRXPNJRALFACI-QGZVFWFLSA-N 1 1 387.593 4.493 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3cc(F)ccc3OC)c2)cc1 ZINC000189201498 823374754 /nfs/dbraw/zinc/37/47/54/823374754.db2.gz PAVHNLPFAJJLOD-UHFFFAOYSA-N 1 1 394.446 4.385 20 0 GIADMO CCOc1cc(C[NH2+]Cc2cc(F)ccc2OC)cc(Br)c1OC ZINC000189201370 823374931 /nfs/dbraw/zinc/37/49/31/823374931.db2.gz VIXHSZNKACZEEW-UHFFFAOYSA-N 1 1 398.272 4.294 20 0 GIADMO CC(C)c1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cnn1-c1ccc(Cl)cc1 ZINC000058299322 823376313 /nfs/dbraw/zinc/37/63/13/823376313.db2.gz WRMVHVJGHOKKHH-RTBURBONSA-N 1 1 386.927 4.006 20 0 GIADMO Cc1ccccc1-c1nnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1C1CC1 ZINC000572654498 823376483 /nfs/dbraw/zinc/37/64/83/823376483.db2.gz FGQZRIFGCKODBG-DYESRHJHSA-N 1 1 377.536 4.042 20 0 GIADMO S=c1scc(-c2ccccc2)n1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000177130175 823378654 /nfs/dbraw/zinc/37/86/54/823378654.db2.gz IHWKDOSMJVFQLY-UHFFFAOYSA-N 1 1 382.558 4.116 20 0 GIADMO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460399388 823376836 /nfs/dbraw/zinc/37/68/36/823376836.db2.gz IUPKTVAOSATAHF-NVXDSCFRSA-N 1 1 391.559 4.342 20 0 GIADMO CN(C)C(=O)Sc1cccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000177150504 823383752 /nfs/dbraw/zinc/38/37/52/823383752.db2.gz ZABMNMAGAGNZPO-HXUWFJFHSA-N 1 1 384.545 4.294 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)CSCc1cccc(Cl)c1)[NH+](C)C ZINC000023980652 819001714 /nfs/dbraw/zinc/00/17/14/819001714.db2.gz CBEPOSVERNJOLS-SFHVURJKSA-N 1 1 392.952 4.001 20 0 GIADMO Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572669381 823379197 /nfs/dbraw/zinc/37/91/97/823379197.db2.gz VWSKNIFFZMHRSV-VWLOTQADSA-N 1 1 387.527 4.143 20 0 GIADMO CC1CC[NH+]([C@@H](CNS(=O)(=O)c2ccccc2Cl)c2cccs2)CC1 ZINC000023994500 819004141 /nfs/dbraw/zinc/00/41/41/819004141.db2.gz JCGNPTVFGNZEGR-INIZCTEOSA-N 1 1 398.981 4.153 20 0 GIADMO Cc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000572672472 823380081 /nfs/dbraw/zinc/38/00/81/823380081.db2.gz IPRPDVIWNIRJLJ-PKOBYXMFSA-N 1 1 387.842 4.457 20 0 GIADMO O=C(NC[C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1)Nc1cccc(F)c1 ZINC000572689898 823383973 /nfs/dbraw/zinc/38/39/73/823383973.db2.gz SMWUCBIZJHLMIQ-AWEZNQCLSA-N 1 1 384.480 4.474 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000572677991 823381121 /nfs/dbraw/zinc/38/11/21/823381121.db2.gz DMXOWMZXOOXSIZ-GOSISDBHSA-N 1 1 376.884 4.379 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000572677991 823381131 /nfs/dbraw/zinc/38/11/31/823381131.db2.gz DMXOWMZXOOXSIZ-GOSISDBHSA-N 1 1 376.884 4.379 20 0 GIADMO Cc1c(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cnn1C(C)(C)C ZINC000410054193 823381361 /nfs/dbraw/zinc/38/13/61/823381361.db2.gz PKRCUUKZBRSCTR-OAQYLSRUSA-N 1 1 396.579 4.149 20 0 GIADMO Cc1ccc2c(C[N@H+](Cc3ccccc3)C[C@H](O)c3ccco3)cc(=O)oc2c1 ZINC000177151633 823384242 /nfs/dbraw/zinc/38/42/42/823384242.db2.gz BSKPUWOHJWPZRY-NRFANRHFSA-N 1 1 389.451 4.430 20 0 GIADMO Clc1ccc(-c2nnc(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)cc1 ZINC000177149179 823383275 /nfs/dbraw/zinc/38/32/75/823383275.db2.gz QRNBMWFYKDEJPW-LJQANCHMSA-N 1 1 383.879 4.224 20 0 GIADMO Clc1ccc(-c2nnc(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)cc1 ZINC000177149179 823383281 /nfs/dbraw/zinc/38/32/81/823383281.db2.gz QRNBMWFYKDEJPW-LJQANCHMSA-N 1 1 383.879 4.224 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+](C)[C@H](c3ccccc3)C(C)C)cs2)c1C ZINC000177165954 823388859 /nfs/dbraw/zinc/38/88/59/823388859.db2.gz CYTJCZBRQNXFNB-FQEVSTJZSA-N 1 1 396.560 4.350 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[N@H+](C)[C@H](c3ccccc3)C(C)C)cs2)c1C ZINC000177165954 823388863 /nfs/dbraw/zinc/38/88/63/823388863.db2.gz CYTJCZBRQNXFNB-FQEVSTJZSA-N 1 1 396.560 4.350 20 0 GIADMO Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc12 ZINC000024587263 819076832 /nfs/dbraw/zinc/07/68/32/819076832.db2.gz VDTXDTKJZHSHST-QGZVFWFLSA-N 1 1 394.500 4.021 20 0 GIADMO Cc1ccc(C)c(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000177152604 823384792 /nfs/dbraw/zinc/38/47/92/823384792.db2.gz GISXTKFEIWLHCA-OAQYLSRUSA-N 1 1 378.472 4.071 20 0 GIADMO Cc1ccc(C)c(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000177152604 823384793 /nfs/dbraw/zinc/38/47/93/823384793.db2.gz GISXTKFEIWLHCA-OAQYLSRUSA-N 1 1 378.472 4.071 20 0 GIADMO CCc1cccc(Cc2cnc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)s2)c1 ZINC000572696131 823385062 /nfs/dbraw/zinc/38/50/62/823385062.db2.gz NAICRBUXHIUZRL-AYHJJNSGSA-N 1 1 384.549 4.043 20 0 GIADMO O=C(NCc1ccco1)c1cccc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000177171015 823390120 /nfs/dbraw/zinc/39/01/20/823390120.db2.gz QAOQBMDUGXLXFK-UHFFFAOYSA-N 1 1 380.410 4.374 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccnc1Cl ZINC000122686581 823394550 /nfs/dbraw/zinc/39/45/50/823394550.db2.gz ZHBRECMHBFHOCG-MLGOLLRUSA-N 1 1 395.837 4.183 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)[nH+]c1 ZINC000177199010 823397223 /nfs/dbraw/zinc/39/72/23/823397223.db2.gz XDMREDPWTSLONO-UHFFFAOYSA-N 1 1 383.467 4.316 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CC[N@H+]1C ZINC000189341564 823397413 /nfs/dbraw/zinc/39/74/13/823397413.db2.gz RQPZOIXRRUSFKA-PBHICJAKSA-N 1 1 379.932 4.465 20 0 GIADMO O=C(O[C@@H]1CCc2cccnc21)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000189343125 823397717 /nfs/dbraw/zinc/39/77/17/823397717.db2.gz LLXYPLBGGDWKEG-YLJYHZDGSA-N 1 1 390.405 4.067 20 0 GIADMO Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 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CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000573024243 823435593 /nfs/dbraw/zinc/43/55/93/823435593.db2.gz XGMSUGZRKMBSHQ-AWEZNQCLSA-N 1 1 387.553 4.212 20 0 GIADMO Cc1cc2c(ncnc2N2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)s1 ZINC000189522531 823436855 /nfs/dbraw/zinc/43/68/55/823436855.db2.gz PKWIKTHPJJBMKR-UHFFFAOYSA-N 1 1 393.491 4.009 20 0 GIADMO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000573030661 823436944 /nfs/dbraw/zinc/43/69/44/823436944.db2.gz OBJYVYBYYWDZEI-HXUWFJFHSA-N 1 1 397.515 4.111 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@H+]1CCOCC(F)(F)C(F)F)c1cccs1 ZINC000189523340 823437222 /nfs/dbraw/zinc/43/72/22/823437222.db2.gz KWKUIZZWLUTJKK-ZIAGYGMSSA-N 1 1 383.451 4.333 20 0 GIADMO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000189525363 823437654 /nfs/dbraw/zinc/43/76/54/823437654.db2.gz WOCHBHBICQQWPU-CVEARBPZSA-N 1 1 390.578 4.253 20 0 GIADMO COc1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1Cl ZINC000025041614 819914395 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PNTNMQOWCKFFJX-YYDVJCTNSA-N 1 1 380.532 4.423 20 0 GIADMO CC(C)[C@H](NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccccc1 ZINC000025086932 819924218 /nfs/dbraw/zinc/92/42/18/819924218.db2.gz PNTNMQOWCKFFJX-YYDVJCTNSA-N 1 1 380.532 4.423 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000025233385 819947766 /nfs/dbraw/zinc/94/77/66/819947766.db2.gz XAFMBPWWVFNMPW-CYBMUJFWSA-N 1 1 397.327 4.475 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000025233385 819947775 /nfs/dbraw/zinc/94/77/75/819947775.db2.gz XAFMBPWWVFNMPW-CYBMUJFWSA-N 1 1 397.327 4.475 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc2nc(C)ccc2c1 ZINC000189547669 823441695 /nfs/dbraw/zinc/44/16/95/823441695.db2.gz GCDGFNJKJDXAPR-UHFFFAOYSA-N 1 1 377.488 4.403 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)c3ccncc3OC)c2)cc1 ZINC000189550453 823442058 /nfs/dbraw/zinc/44/20/58/823442058.db2.gz XFGCDOQVUUSSQM-MRXNPFEDSA-N 1 1 391.471 4.202 20 0 GIADMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000025381449 819973113 /nfs/dbraw/zinc/97/31/13/819973113.db2.gz VQHWSYKDXWOGLV-INIZCTEOSA-N 1 1 381.423 4.214 20 0 GIADMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000025381449 819973118 /nfs/dbraw/zinc/97/31/18/819973118.db2.gz VQHWSYKDXWOGLV-INIZCTEOSA-N 1 1 381.423 4.214 20 0 GIADMO FC(F)Oc1cccc(Cl)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000122975780 823442569 /nfs/dbraw/zinc/44/25/69/823442569.db2.gz PXBCJKGVCJERFD-CQSZACIVSA-N 1 1 375.843 4.101 20 0 GIADMO Cc1cccn2c(=O)cc(C[N@@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)nc12 ZINC000025402322 819976180 /nfs/dbraw/zinc/97/61/80/819976180.db2.gz JLSFRNLGXOIXQG-QHCPKHFHSA-N 1 1 381.479 4.151 20 0 GIADMO C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000025409868 819976424 /nfs/dbraw/zinc/97/64/24/819976424.db2.gz KDIXBOFUORODAI-HUUCEWRRSA-N 1 1 387.321 4.073 20 0 GIADMO C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000025409868 819976426 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20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000026473847 820101672 /nfs/dbraw/zinc/10/16/72/820101672.db2.gz ACTWFZOHOBALEB-ISKFKSNPSA-N 1 1 378.516 4.408 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000026473847 820101677 /nfs/dbraw/zinc/10/16/77/820101677.db2.gz ACTWFZOHOBALEB-ISKFKSNPSA-N 1 1 378.516 4.408 20 0 GIADMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000573140101 823453922 /nfs/dbraw/zinc/45/39/22/823453922.db2.gz AHAKOBSAFYJNDZ-MRXNPFEDSA-N 1 1 384.398 4.024 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4cccc(C)c4)CC3)n2)cc1 ZINC000026599477 820120016 /nfs/dbraw/zinc/12/00/16/820120016.db2.gz JNDMFSXUBPSWRV-IBGZPJMESA-N 1 1 376.504 4.232 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000573145977 823455286 /nfs/dbraw/zinc/45/52/86/823455286.db2.gz DBDQRBVIRHOHJR-GFCCVEGCSA-N 1 1 385.986 4.304 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000026807389 820147101 /nfs/dbraw/zinc/14/71/01/820147101.db2.gz QLNGAFBWWRGNDV-MRXNPFEDSA-N 1 1 375.472 4.257 20 0 GIADMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000573158061 823457015 /nfs/dbraw/zinc/45/70/15/823457015.db2.gz JLTFIYGRQOWCMK-GCKMJXCFSA-N 1 1 387.474 4.330 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2occc2Br)CC[N@H+]1Cc1ccccc1 ZINC000177423062 823459217 /nfs/dbraw/zinc/45/92/17/823459217.db2.gz YOOZKBYNHJENTC-GOEBONIOSA-N 1 1 391.309 4.167 20 0 GIADMO COCc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000027045849 820185356 /nfs/dbraw/zinc/18/53/56/820185356.db2.gz RNIPQUAUMGEGQN-QFIPXVFZSA-N 1 1 378.447 4.442 20 0 GIADMO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000573175695 823460689 /nfs/dbraw/zinc/46/06/89/823460689.db2.gz QIZBSRWGSBKOAZ-HXUWFJFHSA-N 1 1 377.481 4.017 20 0 GIADMO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000573175695 823460692 /nfs/dbraw/zinc/46/06/92/823460692.db2.gz QIZBSRWGSBKOAZ-HXUWFJFHSA-N 1 1 377.481 4.017 20 0 GIADMO CC1CN(C[C@@H]2CCC3(CCCC3)O2)CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000573177301 823461202 /nfs/dbraw/zinc/46/12/02/823461202.db2.gz OZCKLRSPGIJMFR-VXKWHMMOSA-N 1 1 390.612 4.224 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCCCOc1ccccc1 ZINC000189623474 823461237 /nfs/dbraw/zinc/46/12/37/823461237.db2.gz YKNNLLDWIIDSKH-GOSISDBHSA-N 1 1 375.534 4.332 20 0 GIADMO C[C@@H](NC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1)C1=CC[N@@H+](C)CC1 ZINC000460644046 823465010 /nfs/dbraw/zinc/46/50/10/823465010.db2.gz BSDNJKPAHRCDMM-KZULUSFZSA-N 1 1 382.335 4.394 20 0 GIADMO C[N@H+](CC(=O)NC1(c2ccc(Br)cc2)CCC1)Cc1ccccc1 ZINC000058853579 823462370 /nfs/dbraw/zinc/46/23/70/823462370.db2.gz ZDMCFRWWGVXDAX-UHFFFAOYSA-N 1 1 387.321 4.077 20 0 GIADMO C[N@@H+](CC(=O)NC1(c2ccc(Br)cc2)CCC1)Cc1ccccc1 ZINC000058853579 823462372 /nfs/dbraw/zinc/46/23/72/823462372.db2.gz ZDMCFRWWGVXDAX-UHFFFAOYSA-N 1 1 387.321 4.077 20 0 GIADMO CC(C)(C)c1nc(CN2CC[NH+](Cc3cnc4ccccc4c3)CC2)cs1 ZINC000410326545 823464001 /nfs/dbraw/zinc/46/40/01/823464001.db2.gz OSFKCUSKCHIBAD-UHFFFAOYSA-N 1 1 380.561 4.307 20 0 GIADMO CC(=O)Nc1ccc(C[NH+]2CCC(NCc3ccc(C)cc3Cl)CC2)cc1 ZINC000573212212 823466329 /nfs/dbraw/zinc/46/63/29/823466329.db2.gz ODXIYJYOWPQOTA-UHFFFAOYSA-N 1 1 385.939 4.361 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccc(F)cc2)c(Cl)c1 ZINC000027682427 820274842 /nfs/dbraw/zinc/27/48/42/820274842.db2.gz NDBAGEKYLOLISH-OAHLLOKOSA-N 1 1 378.875 4.434 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(F)cc2)c(Cl)c1 ZINC000027682427 820274852 /nfs/dbraw/zinc/27/48/52/820274852.db2.gz NDBAGEKYLOLISH-OAHLLOKOSA-N 1 1 378.875 4.434 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2c3c(nc4ccccc42)CCC3)C1 ZINC000058884028 823466477 /nfs/dbraw/zinc/46/64/77/823466477.db2.gz CNRYZWUBGIYJCX-KSZLIROESA-N 1 1 377.532 4.201 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+]1Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000189648313 823466891 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C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccccc1F)C1CCCCC1 ZINC000029384601 820448413 /nfs/dbraw/zinc/44/84/13/820448413.db2.gz BDFBCGBEVRPFFE-UHFFFAOYSA-N 1 1 376.497 4.391 20 0 GIADMO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000177521406 823481249 /nfs/dbraw/zinc/48/12/49/823481249.db2.gz SOXOOGNOKJPMTL-IYBDPMFKSA-N 1 1 383.517 4.061 20 0 GIADMO Cc1ccc(NCCCNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)[nH+]c1 ZINC000177524033 823482014 /nfs/dbraw/zinc/48/20/14/823482014.db2.gz MYJLIVSRAUGWOU-SFHVURJKSA-N 1 1 389.503 4.314 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000029597673 820481950 /nfs/dbraw/zinc/48/19/50/820481950.db2.gz SKULHHJPYILSGM-GGAORHGYSA-N 1 1 384.495 4.485 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000029597673 820481953 /nfs/dbraw/zinc/48/19/53/820481953.db2.gz SKULHHJPYILSGM-GGAORHGYSA-N 1 1 384.495 4.485 20 0 GIADMO COc1ccccc1CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410383123 823482335 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GIADMO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029773294 820515210 /nfs/dbraw/zinc/51/52/10/820515210.db2.gz GMCDJAXWPWIYOR-UHFFFAOYSA-N 1 1 381.278 4.481 20 0 GIADMO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029773294 820515214 /nfs/dbraw/zinc/51/52/14/820515214.db2.gz GMCDJAXWPWIYOR-UHFFFAOYSA-N 1 1 381.278 4.481 20 0 GIADMO C[C@H](CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029825903 820525645 /nfs/dbraw/zinc/52/56/45/820525645.db2.gz GASBGKXLDPFQFL-WSTZPKSXSA-N 1 1 391.515 4.316 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cn(C)c4ccc(F)cc34)C2)s1 ZINC000573378449 823486354 /nfs/dbraw/zinc/48/63/54/823486354.db2.gz IHINWNSLSXCHLM-MRXNPFEDSA-N 1 1 399.535 4.281 20 0 GIADMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827484 820526988 /nfs/dbraw/zinc/52/69/88/820526988.db2.gz LXHRLKAGQJHERQ-NVXWUHKLSA-N 1 1 397.906 4.366 20 0 GIADMO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000029844844 820531404 /nfs/dbraw/zinc/53/14/04/820531404.db2.gz HUYYTEKGMXDOAD-SFHVURJKSA-N 1 1 393.531 4.064 20 0 GIADMO Cc1cc2cc(NC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)ccc2[nH]1 ZINC000029880126 820539393 /nfs/dbraw/zinc/53/93/93/820539393.db2.gz BGCIKJGVALFPMR-IRXDYDNUSA-N 1 1 377.488 4.338 20 0 GIADMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000029905071 820544709 /nfs/dbraw/zinc/54/47/09/820544709.db2.gz PGWVZYKXIVSWBR-UHFFFAOYSA-N 1 1 391.471 4.201 20 0 GIADMO COc1ccccc1NC(=O)C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000029907023 820545299 /nfs/dbraw/zinc/54/52/99/820545299.db2.gz JKDHPFDTNYLLMK-UHFFFAOYSA-N 1 1 397.500 4.262 20 0 GIADMO COc1ccccc1NC(=O)C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000029905717 820545439 /nfs/dbraw/zinc/54/54/39/820545439.db2.gz BTHMLVPXXSWWBS-UHFFFAOYSA-N 1 1 397.500 4.262 20 0 GIADMO CC[C@H](CNC(=O)c1c(C)onc1-c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000029907991 820545491 /nfs/dbraw/zinc/54/54/91/820545491.db2.gz BCTIDIOVZSDEAW-OAQYLSRUSA-N 1 1 389.499 4.217 20 0 GIADMO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029939318 820551218 /nfs/dbraw/zinc/55/12/18/820551218.db2.gz RNDUINADDAGPDJ-GOSISDBHSA-N 1 1 388.895 4.239 20 0 GIADMO O=C(c1cc2sccc2s1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410411970 823489995 /nfs/dbraw/zinc/48/99/95/823489995.db2.gz XFEIHNAWZHERNI-UHFFFAOYSA-N 1 1 392.590 4.318 20 0 GIADMO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[N@@H+](C)[C@H](C)C(C)C ZINC000030149133 820579204 /nfs/dbraw/zinc/57/92/04/820579204.db2.gz IAAINLOLXBATPP-CYBMUJFWSA-N 1 1 378.494 4.100 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)C2(c3cccc(Br)c3)CCCC2)CC[N@H+]1C ZINC000123315221 823495297 /nfs/dbraw/zinc/49/52/97/823495297.db2.gz BJULKXJYIYDLTI-YJBOKZPZSA-N 1 1 393.369 4.202 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C2CC2)o1 ZINC000030152538 820579787 /nfs/dbraw/zinc/57/97/87/820579787.db2.gz MNPFLKMGYXKYJW-ACJLOTCBSA-N 1 1 383.879 4.229 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C2CC2)o1 ZINC000030152538 820579791 /nfs/dbraw/zinc/57/97/91/820579791.db2.gz MNPFLKMGYXKYJW-ACJLOTCBSA-N 1 1 383.879 4.229 20 0 GIADMO Cc1ccc(-c2nnc(CN3CCC[N@@H+](Cc4ccccc4C)CC3)o2)cc1 ZINC000030154305 820580743 /nfs/dbraw/zinc/58/07/43/820580743.db2.gz BWQZYWSRSRMIJU-UHFFFAOYSA-N 1 1 376.504 4.061 20 0 GIADMO Cc1nc(NC(=O)C[N@@H+](C)Cc2ccccc2)sc1Cc1ccccc1F ZINC000059371065 823494416 /nfs/dbraw/zinc/49/44/16/823494416.db2.gz ZMBPEUQRDFIICI-UHFFFAOYSA-N 1 1 383.492 4.252 20 0 GIADMO Cc1nc(NC(=O)C[N@H+](C)Cc2ccccc2)sc1Cc1ccccc1F ZINC000059371065 823494419 /nfs/dbraw/zinc/49/44/19/823494419.db2.gz ZMBPEUQRDFIICI-UHFFFAOYSA-N 1 1 383.492 4.252 20 0 GIADMO Cc1sc2nc([C@H](C)[N@H+](C)CCCOc3ccc(F)cc3)[nH]c(=O)c2c1C ZINC000030267861 820592233 /nfs/dbraw/zinc/59/22/33/820592233.db2.gz YUBBQIORRDFIKX-ZDUSSCGKSA-N 1 1 389.496 4.202 20 0 GIADMO Cc1sc2nc([C@H](C)[N@@H+](C)CCCOc3ccc(F)cc3)[nH]c(=O)c2c1C ZINC000030267861 820592240 /nfs/dbraw/zinc/59/22/40/820592240.db2.gz YUBBQIORRDFIKX-ZDUSSCGKSA-N 1 1 389.496 4.202 20 0 GIADMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000177558467 823490441 /nfs/dbraw/zinc/49/04/41/823490441.db2.gz QVLXDYIWNGIXOZ-YWZLYKJASA-N 1 1 377.513 4.287 20 0 GIADMO C[N@@H+]1CCc2[nH]c(=NC(=O)c3sc4cccc(Cl)c4c3Cl)sc2C1 ZINC000030513705 820628724 /nfs/dbraw/zinc/62/87/24/820628724.db2.gz OQLGOUIMULCEHT-UHFFFAOYSA-N 1 1 398.340 4.327 20 0 GIADMO C[N@H+]1CCc2[nH]c(=NC(=O)c3sc4cccc(Cl)c4c3Cl)sc2C1 ZINC000030513705 820628730 /nfs/dbraw/zinc/62/87/30/820628730.db2.gz OQLGOUIMULCEHT-UHFFFAOYSA-N 1 1 398.340 4.327 20 0 GIADMO COC[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1)c1ccc(C)o1 ZINC000177565510 823492539 /nfs/dbraw/zinc/49/25/39/823492539.db2.gz BKFCEHXEQCJFHH-LJQANCHMSA-N 1 1 382.460 4.048 20 0 GIADMO Brc1cccc(-c2ccc(C[NH2+]Cc3nnc4n3CCC4)s2)c1 ZINC000030652357 820659278 /nfs/dbraw/zinc/65/92/78/820659278.db2.gz GDOUFOXNYAZBQA-UHFFFAOYSA-N 1 1 389.322 4.005 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H](C(C)C)N3CCCC3)c2)cc1 ZINC000030666523 820661602 /nfs/dbraw/zinc/66/16/02/820661602.db2.gz SNSJOEZXDSRXJZ-HSZRJFAPSA-N 1 1 395.547 4.158 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177582666 823496048 /nfs/dbraw/zinc/49/60/48/823496048.db2.gz AOUQCOMARLATQP-VQIMIIECSA-N 1 1 394.943 4.026 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c[nH]c(=O)c3ccccc23)cc1 ZINC000189796453 823496188 /nfs/dbraw/zinc/49/61/88/823496188.db2.gz FGIXUYIHSLLLTL-MRXNPFEDSA-N 1 1 375.472 4.155 20 0 GIADMO Fc1ccc(-c2nc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)co2)cc1F ZINC000177590280 823497465 /nfs/dbraw/zinc/49/74/65/823497465.db2.gz VVGSWXNXRYKMLU-SFHVURJKSA-N 1 1 392.446 4.170 20 0 GIADMO CSCC[C@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000177609710 823500402 /nfs/dbraw/zinc/50/04/02/823500402.db2.gz MGBZUAJJFLUZEW-HNNXBMFYSA-N 1 1 377.579 4.206 20 0 GIADMO Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000189813634 823500383 /nfs/dbraw/zinc/50/03/83/823500383.db2.gz PFAIZCZRSFMGQW-UHFFFAOYSA-N 1 1 397.519 4.343 20 0 GIADMO Fc1ccccc1-c1nc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cs1 ZINC000177590213 823497548 /nfs/dbraw/zinc/49/75/48/823497548.db2.gz CCQKYYKZSMWFGF-SFHVURJKSA-N 1 1 390.524 4.499 20 0 GIADMO CSCC[C@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000177609710 823500405 /nfs/dbraw/zinc/50/04/05/823500405.db2.gz MGBZUAJJFLUZEW-HNNXBMFYSA-N 1 1 377.579 4.206 20 0 GIADMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177593435 823497878 /nfs/dbraw/zinc/49/78/78/823497878.db2.gz ANBHXOCATMSIGY-MBSDFSHPSA-N 1 1 396.531 4.217 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000410484538 823498584 /nfs/dbraw/zinc/49/85/84/823498584.db2.gz QMYVICIVDVRERO-JMJGKCIBSA-N 1 1 386.580 4.214 20 0 GIADMO C[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc(Cl)cc1 ZINC000031005982 820720684 /nfs/dbraw/zinc/72/06/84/820720684.db2.gz FKLYMFRZLUXSKM-UHFFFAOYSA-N 1 1 395.286 4.225 20 0 GIADMO C[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1ccc(Cl)cc1 ZINC000031005982 820720689 /nfs/dbraw/zinc/72/06/89/820720689.db2.gz FKLYMFRZLUXSKM-UHFFFAOYSA-N 1 1 395.286 4.225 20 0 GIADMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 ZINC000059810965 823499597 /nfs/dbraw/zinc/49/95/97/823499597.db2.gz LFQSXXYROCZENT-FQEVSTJZSA-N 1 1 388.458 4.392 20 0 GIADMO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000123348774 823499981 /nfs/dbraw/zinc/49/99/81/823499981.db2.gz YBDMIDLNCSFXLX-FOIQADDNSA-N 1 1 381.501 4.248 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000059995884 823504569 /nfs/dbraw/zinc/50/45/69/823504569.db2.gz RURJLLKNWINZSL-HUUCEWRRSA-N 1 1 383.517 4.407 20 0 GIADMO O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460758003 823505313 /nfs/dbraw/zinc/50/53/13/823505313.db2.gz KXZJCPBYTMDCGM-MOUTVQLLSA-N 1 1 389.543 4.096 20 0 GIADMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c(OC)c1 ZINC000060038451 823505477 /nfs/dbraw/zinc/50/54/77/823505477.db2.gz GFZPOQOCDHWWFB-MRXNPFEDSA-N 1 1 388.895 4.003 20 0 GIADMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c(OC)c1 ZINC000060038451 823505479 /nfs/dbraw/zinc/50/54/79/823505479.db2.gz GFZPOQOCDHWWFB-MRXNPFEDSA-N 1 1 388.895 4.003 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccc2cccnc21 ZINC000031208598 820769387 /nfs/dbraw/zinc/76/93/87/820769387.db2.gz NNQSWXISKDDHNZ-UHFFFAOYSA-N 1 1 384.277 4.068 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccc2cccnc21 ZINC000031208598 820769393 /nfs/dbraw/zinc/76/93/93/820769393.db2.gz NNQSWXISKDDHNZ-UHFFFAOYSA-N 1 1 384.277 4.068 20 0 GIADMO O=C(Nc1ccccc1OC[C@@H]1CCCCO1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177613891 823501517 /nfs/dbraw/zinc/50/15/17/823501517.db2.gz KOZATENUMJQJSJ-QUCCMNQESA-N 1 1 386.536 4.228 20 0 GIADMO Fc1ccc(Br)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000177619123 823502629 /nfs/dbraw/zinc/50/26/29/823502629.db2.gz XEELPWWKMGQCKW-KRWDZBQOSA-N 1 1 386.305 4.138 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000060046955 823505966 /nfs/dbraw/zinc/50/59/66/823505966.db2.gz QMENCNSWNTWHOZ-UHFFFAOYSA-N 1 1 392.261 4.486 20 0 GIADMO Cc1ccc(CC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Br ZINC000189855285 823506575 /nfs/dbraw/zinc/50/65/75/823506575.db2.gz ZEWRYQVQDUUTQE-DOTOQJQBSA-N 1 1 393.369 4.069 20 0 GIADMO O=C(CCc1ccc(OC(F)F)cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031543057 820823372 /nfs/dbraw/zinc/82/33/72/820823372.db2.gz VNWOCVPUHPIJNK-LJQANCHMSA-N 1 1 388.458 4.001 20 0 GIADMO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000031619527 820834993 /nfs/dbraw/zinc/83/49/93/820834993.db2.gz MRYXQLQHUGNXHC-UHFFFAOYSA-N 1 1 378.451 4.454 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2cncc(Cl)c2Cl)[C@H](C(F)(F)F)C1 ZINC000410688508 823509259 /nfs/dbraw/zinc/50/92/59/823509259.db2.gz PVGWXJSOMONZRL-RKDXNWHRSA-N 1 1 384.229 4.236 20 0 GIADMO Cc1ccc(CCC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000031962358 820880081 /nfs/dbraw/zinc/88/00/81/820880081.db2.gz PWHSCIZBOUTUIU-OAHLLOKOSA-N 1 1 376.953 4.206 20 0 GIADMO Cc1ccc(CCC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1Cl ZINC000031962358 820880090 /nfs/dbraw/zinc/88/00/90/820880090.db2.gz PWHSCIZBOUTUIU-OAHLLOKOSA-N 1 1 376.953 4.206 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(OC2CCCC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000031961339 820880581 /nfs/dbraw/zinc/88/05/81/820880581.db2.gz JCIBDPVPLJQKPP-INIZCTEOSA-N 1 1 384.545 4.246 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(OC2CCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000031961339 820880593 /nfs/dbraw/zinc/88/05/93/820880593.db2.gz JCIBDPVPLJQKPP-INIZCTEOSA-N 1 1 384.545 4.246 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000031963816 820881231 /nfs/dbraw/zinc/88/12/31/820881231.db2.gz FDVIVGAGHXFYAD-OAHLLOKOSA-N 1 1 393.556 4.019 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000031963816 820881246 /nfs/dbraw/zinc/88/12/46/820881246.db2.gz FDVIVGAGHXFYAD-OAHLLOKOSA-N 1 1 393.556 4.019 20 0 GIADMO CN(C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C1CCN(c2ccccc2)CC1 ZINC000410806817 823515218 /nfs/dbraw/zinc/51/52/18/823515218.db2.gz NRWLVRMQDHCCNB-NRFANRHFSA-N 1 1 385.939 4.070 20 0 GIADMO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177711099 823515556 /nfs/dbraw/zinc/51/55/56/823515556.db2.gz JBUQCJGVRJSVPO-AVRDEDQJSA-N 1 1 394.563 4.374 20 0 GIADMO COC(=O)[C@@](C)(C[NH2+][C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1)c1ccccc1 ZINC000189940472 823516080 /nfs/dbraw/zinc/51/60/80/823516080.db2.gz NVJPAYITDFFNHX-HXOBKFHXSA-N 1 1 393.487 4.135 20 0 GIADMO C[C@@H](CNC(=O)c1cccc2c3c([nH]c21)CCCC3)[N@@H+]1CCc2sccc2C1 ZINC000032429625 820942809 /nfs/dbraw/zinc/94/28/09/820942809.db2.gz SGYAJHFIPISJRI-HNNXBMFYSA-N 1 1 393.556 4.285 20 0 GIADMO C[C@@H](CNC(=O)c1cccc2c3c([nH]c21)CCCC3)[N@H+]1CCc2sccc2C1 ZINC000032429625 820942813 /nfs/dbraw/zinc/94/28/13/820942813.db2.gz SGYAJHFIPISJRI-HNNXBMFYSA-N 1 1 393.556 4.285 20 0 GIADMO CC[C@@H](CNC(=O)c1cc(F)c(F)cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000032445937 820945830 /nfs/dbraw/zinc/94/58/30/820945830.db2.gz UDWINJOJBLVEKP-HNNXBMFYSA-N 1 1 378.850 4.185 20 0 GIADMO CC(C)(C)c1cc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)no1 ZINC000460802874 823516529 /nfs/dbraw/zinc/51/65/29/823516529.db2.gz HUYWRRLQFQFGEJ-UHFFFAOYSA-N 1 1 377.488 4.083 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000177723612 823516931 /nfs/dbraw/zinc/51/69/31/823516931.db2.gz OTEXOIXPMGQTCD-WZQKQDCOSA-N 1 1 390.574 4.168 20 0 GIADMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189950084 823516938 /nfs/dbraw/zinc/51/69/38/823516938.db2.gz DWOMLXJLAQYHHI-PMACEKPBSA-N 1 1 399.623 4.017 20 0 GIADMO O=C(Nc1cccc(F)c1F)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000060351072 823518215 /nfs/dbraw/zinc/51/82/15/823518215.db2.gz ILRGLPMXGXAROP-SFHVURJKSA-N 1 1 384.348 4.358 20 0 GIADMO CSc1cc(C)ccc1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000123531117 823518230 /nfs/dbraw/zinc/51/82/30/823518230.db2.gz LTAOLORCGQVCLS-QGZVFWFLSA-N 1 1 399.560 4.432 20 0 GIADMO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1ccccc1 ZINC000032510388 820963153 /nfs/dbraw/zinc/96/31/53/820963153.db2.gz DTHXDVCSHJLSBZ-SFHVURJKSA-N 1 1 379.485 4.151 20 0 GIADMO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)Cc1ccccc1 ZINC000032510388 820963158 /nfs/dbraw/zinc/96/31/58/820963158.db2.gz DTHXDVCSHJLSBZ-SFHVURJKSA-N 1 1 379.485 4.151 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000060341888 823517498 /nfs/dbraw/zinc/51/74/98/823517498.db2.gz ZLACTDPPWBIYIN-INIZCTEOSA-N 1 1 399.560 4.241 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000189953909 823517507 /nfs/dbraw/zinc/51/75/07/823517507.db2.gz CXVUQDVQDHTADJ-IBGZPJMESA-N 1 1 375.557 4.121 20 0 GIADMO CCCOc1ccc(C(=O)CCC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000060395368 823523611 /nfs/dbraw/zinc/52/36/11/823523611.db2.gz IFEGCLBQEKMVDY-UHFFFAOYSA-N 1 1 388.552 4.017 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)nc1 ZINC000177743854 823519426 /nfs/dbraw/zinc/51/94/26/823519426.db2.gz OWKHVANMOADQKM-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)nc1 ZINC000177743854 823519427 /nfs/dbraw/zinc/51/94/27/823519427.db2.gz OWKHVANMOADQKM-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[N@H+]1CCCC[C@H]1C ZINC000032732869 820999442 /nfs/dbraw/zinc/99/94/42/820999442.db2.gz XMAWJGPUCXBWML-MSOLQXFVSA-N 1 1 394.519 4.323 20 0 GIADMO C[C@@H](CNC(=O)Cc1csc(-c2ccccc2Cl)n1)[N@H+]1CCCC[C@@H]1C ZINC000032733258 821000058 /nfs/dbraw/zinc/00/00/58/821000058.db2.gz GCUWTWMMWIYLBJ-GJZGRUSLSA-N 1 1 391.968 4.385 20 0 GIADMO CC(C)c1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000123557264 823521037 /nfs/dbraw/zinc/52/10/37/823521037.db2.gz ZXBLGLPYEZSMHC-NVXWUHKLSA-N 1 1 388.943 4.204 20 0 GIADMO COCC[N@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000032773207 821006877 /nfs/dbraw/zinc/00/68/77/821006877.db2.gz PZDMEPGMERFKHQ-LJQANCHMSA-N 1 1 376.500 4.166 20 0 GIADMO COCC[N@@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000032773207 821006888 /nfs/dbraw/zinc/00/68/88/821006888.db2.gz PZDMEPGMERFKHQ-LJQANCHMSA-N 1 1 376.500 4.166 20 0 GIADMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1sc2ccccc2c1Cl ZINC000060377232 823521559 /nfs/dbraw/zinc/52/15/59/823521559.db2.gz VSMXCORPEQOYDP-LBPRGKRZSA-N 1 1 394.949 4.395 20 0 GIADMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1sc2ccccc2c1Cl ZINC000060377232 823521560 /nfs/dbraw/zinc/52/15/60/823521560.db2.gz VSMXCORPEQOYDP-LBPRGKRZSA-N 1 1 394.949 4.395 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cccc(OCc3cccs3)c2)[C@H](c2ccccc2)C1 ZINC000032941254 821021315 /nfs/dbraw/zinc/02/13/15/821021315.db2.gz UQVVNUPQGLUENX-QFIPXVFZSA-N 1 1 392.524 4.456 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cccc(OCc3cccs3)c2)[C@H](c2ccccc2)C1 ZINC000032941254 821021322 /nfs/dbraw/zinc/02/13/22/821021322.db2.gz UQVVNUPQGLUENX-QFIPXVFZSA-N 1 1 392.524 4.456 20 0 GIADMO COc1ccc(-n2c(C)cc(C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)c2C)cc1 ZINC000060395131 823523415 /nfs/dbraw/zinc/52/34/15/823523415.db2.gz CJHYXDBBACOBPT-UHFFFAOYSA-N 1 1 397.563 4.295 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000177768829 823523490 /nfs/dbraw/zinc/52/34/90/823523490.db2.gz DTKCQDFUGHDVRQ-MOPGFXCFSA-N 1 1 382.504 4.174 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1ccc([N@@H+]2CCCC[C@@H]2C)cc1C ZINC000123632478 823527916 /nfs/dbraw/zinc/52/79/16/823527916.db2.gz NGKCNJUUUHSMTF-RDJZCZTQSA-N 1 1 383.540 4.163 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1ccc([N@H+]2CCCC[C@@H]2C)cc1C ZINC000123632478 823527918 /nfs/dbraw/zinc/52/79/18/823527918.db2.gz NGKCNJUUUHSMTF-RDJZCZTQSA-N 1 1 383.540 4.163 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000177809961 823528681 /nfs/dbraw/zinc/52/86/81/823528681.db2.gz OWZSYRCQKSRWKR-RTWAWAEBSA-N 1 1 392.503 4.029 20 0 GIADMO O=C1NC2(CC[NH+](Cc3ccccc3Cl)CC2)Nc2cccc(Cl)c21 ZINC000035937948 821067134 /nfs/dbraw/zinc/06/71/34/821067134.db2.gz ILOIZWSGCKDYLZ-UHFFFAOYSA-N 1 1 376.287 4.141 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000190034384 823528906 /nfs/dbraw/zinc/52/89/06/823528906.db2.gz LIUNMFJJAHHCDB-KRWDZBQOSA-N 1 1 375.557 4.242 20 0 GIADMO C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000036694540 821076442 /nfs/dbraw/zinc/07/64/42/821076442.db2.gz ZCYAOGHLUCYTTE-FOIQADDNSA-N 1 1 390.886 4.200 20 0 GIADMO CCOC1CC(CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000190003783 823524385 /nfs/dbraw/zinc/52/43/85/823524385.db2.gz MVAHOJGRDLLCIC-XTWGIRIWSA-N 1 1 387.568 4.065 20 0 GIADMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000123600895 823524828 /nfs/dbraw/zinc/52/48/28/823524828.db2.gz RGCVABZCSALZRU-QGZVFWFLSA-N 1 1 390.487 4.136 20 0 GIADMO CCN(C(=O)c1cc(-c2ccncc2)on1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000123612953 823525794 /nfs/dbraw/zinc/52/57/94/823525794.db2.gz NPHRYWBGWHNOHS-PXNSSMCTSA-N 1 1 390.487 4.034 20 0 GIADMO Brc1ccc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)nc1 ZINC000460837512 823525886 /nfs/dbraw/zinc/52/58/86/823525886.db2.gz GDLOVHXPJBWGPT-MRXNPFEDSA-N 1 1 385.265 4.231 20 0 GIADMO Brc1ccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)nc1 ZINC000460837512 823525887 /nfs/dbraw/zinc/52/58/87/823525887.db2.gz GDLOVHXPJBWGPT-MRXNPFEDSA-N 1 1 385.265 4.231 20 0 GIADMO C[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000039297325 821105245 /nfs/dbraw/zinc/10/52/45/821105245.db2.gz HDURRUQRXNEENZ-IBGZPJMESA-N 1 1 390.527 4.108 20 0 GIADMO Fc1cccc(F)c1-c1nc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)co1 ZINC000123620578 823526683 /nfs/dbraw/zinc/52/66/83/823526683.db2.gz NCEYWMPBCRJUTH-CABCVRRESA-N 1 1 380.460 4.106 20 0 GIADMO Fc1cccc(F)c1-c1nc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)co1 ZINC000123620578 823526685 /nfs/dbraw/zinc/52/66/85/823526685.db2.gz NCEYWMPBCRJUTH-CABCVRRESA-N 1 1 380.460 4.106 20 0 GIADMO COc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1OC(F)F ZINC000190022922 823527305 /nfs/dbraw/zinc/52/73/05/823527305.db2.gz ZNFVSHXCGJQQCN-UHFFFAOYSA-N 1 1 399.384 4.058 20 0 GIADMO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1NC(=O)C(C)(C)C ZINC000123729625 823535534 /nfs/dbraw/zinc/53/55/34/823535534.db2.gz YLTXUTBROHRQEG-QGZVFWFLSA-N 1 1 388.556 4.079 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(Br)o1 ZINC000060475273 823532144 /nfs/dbraw/zinc/53/21/44/823532144.db2.gz XTTRKKDMUROXIS-CQSZACIVSA-N 1 1 391.309 4.347 20 0 GIADMO Cc1noc2nc(C)cc(C(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)c12 ZINC000060475134 823532159 /nfs/dbraw/zinc/53/21/59/823532159.db2.gz MLMIDSKPCFLYOA-OAHLLOKOSA-N 1 1 392.503 4.002 20 0 GIADMO COc1cc(CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)ccc1C ZINC000060475286 823532185 /nfs/dbraw/zinc/53/21/85/823532185.db2.gz NZLXQDNDDUJOED-LJQANCHMSA-N 1 1 380.532 4.237 20 0 GIADMO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483121 823533087 /nfs/dbraw/zinc/53/30/87/823533087.db2.gz IBPZNIGPBRZFPQ-FQEVSTJZSA-N 1 1 384.907 4.064 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000060566668 823543002 /nfs/dbraw/zinc/54/30/02/823543002.db2.gz GPLAPNQEPDMFAN-INIZCTEOSA-N 1 1 395.385 4.498 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000041318593 821183042 /nfs/dbraw/zinc/18/30/42/821183042.db2.gz JRFJQPHAEICPNF-UHFFFAOYSA-N 1 1 395.425 4.353 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000177883428 823540897 /nfs/dbraw/zinc/54/08/97/823540897.db2.gz SOAKYRLXLYHQKK-INIZCTEOSA-N 1 1 397.485 4.110 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000041786191 821229548 /nfs/dbraw/zinc/22/95/48/821229548.db2.gz UJVTYCSPGGHGFQ-IBGZPJMESA-N 1 1 393.531 4.063 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)on1 ZINC000041822719 821233974 /nfs/dbraw/zinc/23/39/74/821233974.db2.gz JFHWDIKIDXTABC-KRWDZBQOSA-N 1 1 387.549 4.270 20 0 GIADMO CC[NH+](CC)[C@@H](C(=O)N(C)c1ccc(F)cn1)c1cccc(C(F)(F)F)c1 ZINC000411056056 823538672 /nfs/dbraw/zinc/53/86/72/823538672.db2.gz YCYANBXNEDTDSF-QGZVFWFLSA-N 1 1 383.389 4.285 20 0 GIADMO CCN(C(=O)CCc1ccc(OC)c(F)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000060543792 823540447 /nfs/dbraw/zinc/54/04/47/823540447.db2.gz SHLWQZXUZKFWEY-NQIIRXRSSA-N 1 1 398.522 4.451 20 0 GIADMO Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)sc1C ZINC000042132668 821272311 /nfs/dbraw/zinc/27/23/11/821272311.db2.gz VYROASYGXCBAKM-HIFRSBDPSA-N 1 1 384.505 4.108 20 0 GIADMO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)sc1C ZINC000042132668 821272321 /nfs/dbraw/zinc/27/23/21/821272321.db2.gz VYROASYGXCBAKM-HIFRSBDPSA-N 1 1 384.505 4.108 20 0 GIADMO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132582 821272455 /nfs/dbraw/zinc/27/24/55/821272455.db2.gz ILKYEOPEWDCAPN-QUCCMNQESA-N 1 1 391.515 4.063 20 0 GIADMO Cc1noc(C)c1CN(C)Cc1ccc(C[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000042132971 821272519 /nfs/dbraw/zinc/27/25/19/821272519.db2.gz VYPRVGZELXNMNX-UHFFFAOYSA-N 1 1 382.508 4.160 20 0 GIADMO Cc1noc(C)c1CN(C)Cc1ccc(C[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000042132971 821272530 /nfs/dbraw/zinc/27/25/30/821272530.db2.gz VYPRVGZELXNMNX-UHFFFAOYSA-N 1 1 382.508 4.160 20 0 GIADMO CCc1ccc(C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)cc1 ZINC000042146750 821274334 /nfs/dbraw/zinc/27/43/34/821274334.db2.gz AXXOTGSKTULFBK-OAQYLSRUSA-N 1 1 396.494 4.451 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000042207710 821284470 /nfs/dbraw/zinc/28/44/70/821284470.db2.gz DZAJXVNMRICYCN-UHFFFAOYSA-N 1 1 381.911 4.119 20 0 GIADMO COc1cc(C[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)ccn1 ZINC000042208393 821284504 /nfs/dbraw/zinc/28/45/04/821284504.db2.gz FKXBBZXNSCVBED-UHFFFAOYSA-N 1 1 377.275 4.181 20 0 GIADMO CCCc1nc(C)c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)s1 ZINC000042877099 821340643 /nfs/dbraw/zinc/34/06/43/821340643.db2.gz POFWFDSCJDMEAF-UHFFFAOYSA-N 1 1 378.567 4.489 20 0 GIADMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2C)ccc1OC(F)F ZINC000042329684 821301068 /nfs/dbraw/zinc/30/10/68/821301068.db2.gz DCQUCUUJFHABJT-CYBMUJFWSA-N 1 1 396.409 4.203 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(F)ccc2C)ccc1OC(F)F ZINC000042329684 821301075 /nfs/dbraw/zinc/30/10/75/821301075.db2.gz DCQUCUUJFHABJT-CYBMUJFWSA-N 1 1 396.409 4.203 20 0 GIADMO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000042564074 821310715 /nfs/dbraw/zinc/31/07/15/821310715.db2.gz JOUHCVJNYOZLLE-IRXDYDNUSA-N 1 1 397.544 4.086 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)C2CC2)cc1 ZINC000042574470 821312599 /nfs/dbraw/zinc/31/25/99/821312599.db2.gz CDNLQBBUYOTWHB-VWNXMTODSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)C2CC2)cc1 ZINC000042574470 821312606 /nfs/dbraw/zinc/31/26/06/821312606.db2.gz CDNLQBBUYOTWHB-VWNXMTODSA-N 1 1 394.515 4.108 20 0 GIADMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)N1CCc2ccccc21 ZINC000042742768 821330036 /nfs/dbraw/zinc/33/00/36/821330036.db2.gz OEOZCRSNPDJZSB-UHFFFAOYSA-N 1 1 395.890 4.250 20 0 GIADMO CC(C)[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1nc2ccccc2[nH]1 ZINC000043105571 821361559 /nfs/dbraw/zinc/36/15/59/821361559.db2.gz JYHWEFXRUUPFFL-FXAWDEMLSA-N 1 1 385.556 4.071 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCc1cscn1)c1ccco1 ZINC000043107629 821362192 /nfs/dbraw/zinc/36/21/92/821362192.db2.gz WFRKWDZQOCHGNF-MRXNPFEDSA-N 1 1 387.530 4.061 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccco1 ZINC000043138011 821366976 /nfs/dbraw/zinc/36/69/76/821366976.db2.gz BSZLSRIPLGLJPO-FPOVZHCZSA-N 1 1 381.451 4.110 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCOc2ccccc2)c1 ZINC000043159208 821371058 /nfs/dbraw/zinc/37/10/58/821371058.db2.gz OKDMLXUFNAGVQC-UHFFFAOYSA-N 1 1 378.476 4.255 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000043171236 821373008 /nfs/dbraw/zinc/37/30/08/821373008.db2.gz PYPJHQQENFIPAM-HXUWFJFHSA-N 1 1 375.557 4.412 20 0 GIADMO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1cccc(OC)c1 ZINC000043239254 821380033 /nfs/dbraw/zinc/38/00/33/821380033.db2.gz WPXMXEQYXOIZKG-GHTZIAJQSA-N 1 1 381.520 4.062 20 0 GIADMO Cn1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c(-c2cccs2)n1 ZINC000180650199 821382588 /nfs/dbraw/zinc/38/25/88/821382588.db2.gz DVKFPCKWDMAAAR-IBGZPJMESA-N 1 1 393.512 4.477 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000180656546 821384772 /nfs/dbraw/zinc/38/47/72/821384772.db2.gz GGJOIDDDTACBJJ-JXFKEZNVSA-N 1 1 385.508 4.233 20 0 GIADMO C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180660697 821386328 /nfs/dbraw/zinc/38/63/28/821386328.db2.gz XYAPGEOQDHCJIZ-WMZHIEFXSA-N 1 1 388.515 4.277 20 0 GIADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000180667604 821388667 /nfs/dbraw/zinc/38/86/67/821388667.db2.gz SBVGGMQEXVXTCT-IBGZPJMESA-N 1 1 384.549 4.178 20 0 GIADMO COc1ccccc1[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000180695101 821399221 /nfs/dbraw/zinc/39/92/21/821399221.db2.gz NZLPWOMXPLLGEM-VWLOTQADSA-N 1 1 387.527 4.434 20 0 GIADMO CCCCCc1nnc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC000043407054 821403540 /nfs/dbraw/zinc/40/35/40/821403540.db2.gz UZTQYSJUMYETFU-UHFFFAOYSA-N 1 1 387.553 4.011 20 0 GIADMO O[C@H](C[C@@H]1COCC[N@@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccccc1 ZINC000180716038 821414268 /nfs/dbraw/zinc/41/42/68/821414268.db2.gz ZLFZINNXQUJLPY-NHCUHLMSSA-N 1 1 397.906 4.055 20 0 GIADMO O[C@H](C[C@@H]1COCC[N@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccccc1 ZINC000180716038 821414271 /nfs/dbraw/zinc/41/42/71/821414271.db2.gz ZLFZINNXQUJLPY-NHCUHLMSSA-N 1 1 397.906 4.055 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000180716237 821414822 /nfs/dbraw/zinc/41/48/22/821414822.db2.gz KVVBRKKGASOYKL-MORSLUCNSA-N 1 1 383.458 4.281 20 0 GIADMO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1OC(F)(F)F ZINC000180740623 821428259 /nfs/dbraw/zinc/42/82/59/821428259.db2.gz FBFUNWKFKFLZJB-MRXNPFEDSA-N 1 1 386.458 4.271 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000180741699 821428987 /nfs/dbraw/zinc/42/89/87/821428987.db2.gz TYGMUCZXAFDRFJ-UHFFFAOYSA-N 1 1 394.302 4.125 20 0 GIADMO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1OC(F)F ZINC000180741713 821429025 /nfs/dbraw/zinc/42/90/25/821429025.db2.gz HBQDGJTUGQBHHF-HNNXBMFYSA-N 1 1 386.458 4.113 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180760276 821439276 /nfs/dbraw/zinc/43/92/76/821439276.db2.gz CYJNURGQANDOAH-MJGOQNOKSA-N 1 1 395.931 4.208 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180760276 821439282 /nfs/dbraw/zinc/43/92/82/821439282.db2.gz CYJNURGQANDOAH-MJGOQNOKSA-N 1 1 395.931 4.208 20 0 GIADMO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043735286 821449417 /nfs/dbraw/zinc/44/94/17/821449417.db2.gz RVAKEMPIWATLFB-RDJZCZTQSA-N 1 1 376.884 4.044 20 0 GIADMO CCC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccc2Br)C1 ZINC000180779917 821452533 /nfs/dbraw/zinc/45/25/33/821452533.db2.gz FPURQGMLZIBHSB-UZLBHIALSA-N 1 1 387.321 4.139 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc4cccnc43)cc2)C[C@@H](C)O1 ZINC000043781348 821457186 /nfs/dbraw/zinc/45/71/86/821457186.db2.gz GMSRUZZSVTUUOO-IAGOWNOFSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCCCSc3ccccc3)cc2)C[C@H](C)O1 ZINC000043781744 821457917 /nfs/dbraw/zinc/45/79/17/821457917.db2.gz ANVWQYQBDJGAHJ-OALUTQOASA-N 1 1 398.572 4.208 20 0 GIADMO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc(Cl)sc1Cl ZINC000180787507 821458053 /nfs/dbraw/zinc/45/80/53/821458053.db2.gz OSAGTKMMRHQLDO-QMMMGPOBSA-N 1 1 379.259 4.414 20 0 GIADMO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000043802781 821460682 /nfs/dbraw/zinc/46/06/82/821460682.db2.gz MNTRKVWRPCRWGM-UTKZUKDTSA-N 1 1 378.472 4.133 20 0 GIADMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cn2)C[C@@H](C)O1 ZINC000180794116 821462306 /nfs/dbraw/zinc/46/23/06/821462306.db2.gz RDHAHHPUHASWGC-QZTJIDSGSA-N 1 1 393.487 4.370 20 0 GIADMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180798963 821464624 /nfs/dbraw/zinc/46/46/24/821464624.db2.gz BSBPJXTXEOEJHK-CQSZACIVSA-N 1 1 379.386 4.031 20 0 GIADMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C)n1CCC(C)C ZINC000180859621 821498311 /nfs/dbraw/zinc/49/83/11/821498311.db2.gz QOGBBNJUAMXVCD-LJQANCHMSA-N 1 1 397.567 4.140 20 0 GIADMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(C)n1CCC(C)C ZINC000180859621 821498316 /nfs/dbraw/zinc/49/83/16/821498316.db2.gz QOGBBNJUAMXVCD-LJQANCHMSA-N 1 1 397.567 4.140 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1Cl ZINC000044248110 821554465 /nfs/dbraw/zinc/55/44/65/821554465.db2.gz ZNUVJIJICTUURS-FQEVSTJZSA-N 1 1 397.910 4.009 20 0 GIADMO Cc1ccc(-c2ccc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)o2)cc1 ZINC000180996873 821582910 /nfs/dbraw/zinc/58/29/10/821582910.db2.gz RJZRXGFUANYPPF-JOCHJYFZSA-N 1 1 376.500 4.111 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439049 821587269 /nfs/dbraw/zinc/58/72/69/821587269.db2.gz QFTVASYEAAVLCJ-ZDUSSCGKSA-N 1 1 389.471 4.053 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439049 821587272 /nfs/dbraw/zinc/58/72/72/821587272.db2.gz QFTVASYEAAVLCJ-ZDUSSCGKSA-N 1 1 389.471 4.053 20 0 GIADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439050 821587315 /nfs/dbraw/zinc/58/73/15/821587315.db2.gz QFTVASYEAAVLCJ-CYBMUJFWSA-N 1 1 389.471 4.053 20 0 GIADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439050 821587319 /nfs/dbraw/zinc/58/73/19/821587319.db2.gz QFTVASYEAAVLCJ-CYBMUJFWSA-N 1 1 389.471 4.053 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)[C@H](C)C1 ZINC000181004053 821587463 /nfs/dbraw/zinc/58/74/63/821587463.db2.gz DZKUIGKRIIPIQP-DNVCBOLYSA-N 1 1 394.510 4.149 20 0 GIADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 ZINC000044507181 821596984 /nfs/dbraw/zinc/59/69/84/821596984.db2.gz GYXGRLMKAAIFSI-UHFFFAOYSA-N 1 1 396.579 4.418 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000044507323 821597149 /nfs/dbraw/zinc/59/71/49/821597149.db2.gz BJEBLYKAAMNOGV-MJGOQNOKSA-N 1 1 382.470 4.398 20 0 GIADMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)oc2c1C(=O)CCC2 ZINC000044552629 821607647 /nfs/dbraw/zinc/60/76/47/821607647.db2.gz GFIGKAQVBWSNIF-INIZCTEOSA-N 1 1 394.515 4.269 20 0 GIADMO COc1cc(F)cc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000181054260 821612254 /nfs/dbraw/zinc/61/22/54/821612254.db2.gz NAPJVXFEVNSVDF-QFIPXVFZSA-N 1 1 399.487 4.117 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)on1 ZINC000181073750 821619025 /nfs/dbraw/zinc/61/90/25/821619025.db2.gz KBDFEQKULGNGSR-KRWDZBQOSA-N 1 1 394.471 4.088 20 0 GIADMO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1F ZINC000181125195 821648541 /nfs/dbraw/zinc/64/85/41/821648541.db2.gz UOHBXVBGAHSDOL-UHFFFAOYSA-N 1 1 391.397 4.023 20 0 GIADMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(Br)c1 ZINC000181140722 821658928 /nfs/dbraw/zinc/65/89/28/821658928.db2.gz XNZPTHYBVWRTAK-DOTOQJQBSA-N 1 1 391.334 4.470 20 0 GIADMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(Br)c1 ZINC000181140776 821659614 /nfs/dbraw/zinc/65/96/14/821659614.db2.gz XNZPTHYBVWRTAK-WBVHZDCISA-N 1 1 391.334 4.470 20 0 GIADMO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000181157507 821669194 /nfs/dbraw/zinc/66/91/94/821669194.db2.gz YJLTXPYPDAKLFN-KBPBESRZSA-N 1 1 384.867 4.288 20 0 GIADMO Cc1cc(Br)oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000044836461 821670678 /nfs/dbraw/zinc/67/06/78/821670678.db2.gz IZCQNGYDBAZFBQ-ZDUSSCGKSA-N 1 1 385.689 4.037 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181162006 821672434 /nfs/dbraw/zinc/67/24/34/821672434.db2.gz RZRJIMNMWFJDOV-QFIPXVFZSA-N 1 1 389.543 4.471 20 0 GIADMO Cc1sc2nc([C@H](C)N3CCC(CCC[NH+](C)C)CC3)nc(N)c2c1C ZINC000181191373 821687019 /nfs/dbraw/zinc/68/70/19/821687019.db2.gz NJCWUMCFVAKLOJ-AWEZNQCLSA-N 1 1 375.586 4.005 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1F ZINC000181192292 821687660 /nfs/dbraw/zinc/68/76/60/821687660.db2.gz CNQPUORGEFCFTG-AUUYWEPGSA-N 1 1 385.414 4.272 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(SC)c2)cc1OC ZINC000045004459 821689199 /nfs/dbraw/zinc/68/91/99/821689199.db2.gz YEXALSLBOXVUIO-GOSISDBHSA-N 1 1 386.517 4.201 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(SC)c2)cc1OC ZINC000045004459 821689201 /nfs/dbraw/zinc/68/92/01/821689201.db2.gz YEXALSLBOXVUIO-GOSISDBHSA-N 1 1 386.517 4.201 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1Cl ZINC000045017575 821691651 /nfs/dbraw/zinc/69/16/51/821691651.db2.gz GRGXCSDBJGKNRR-DUVNUKRYSA-N 1 1 376.850 4.428 20 0 GIADMO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccnc2Cl)cc1 ZINC000181233800 821710191 /nfs/dbraw/zinc/71/01/91/821710191.db2.gz QWNQTPHOQJWOJA-UHFFFAOYSA-N 1 1 384.911 4.423 20 0 GIADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccnc2Cl)cc1 ZINC000181233800 821710197 /nfs/dbraw/zinc/71/01/97/821710197.db2.gz QWNQTPHOQJWOJA-UHFFFAOYSA-N 1 1 384.911 4.423 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc(N2CCOC2=O)c1 ZINC000181306428 821746456 /nfs/dbraw/zinc/74/64/56/821746456.db2.gz NTDQACLVLIVHNF-AWEZNQCLSA-N 1 1 381.407 4.288 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc(N2CCOC2=O)c1 ZINC000181314821 821753357 /nfs/dbraw/zinc/75/33/57/821753357.db2.gz WKADNGWCWKKWEE-CQSZACIVSA-N 1 1 380.473 4.013 20 0 GIADMO O=S(=O)(c1ccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)o1)N1CCCC1 ZINC000181357384 821784531 /nfs/dbraw/zinc/78/45/31/821784531.db2.gz ONLIIFBMKNNJKO-HXUWFJFHSA-N 1 1 388.533 4.085 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1cccnc1 ZINC000181358451 821785346 /nfs/dbraw/zinc/78/53/46/821785346.db2.gz LORMTKGSYQCQAV-PBHICJAKSA-N 1 1 396.541 4.233 20 0 GIADMO CC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(F)cc(Br)c1 ZINC000181408966 821810283 /nfs/dbraw/zinc/81/02/83/821810283.db2.gz UOYHCBYUSRXEAB-OAHLLOKOSA-N 1 1 381.293 4.147 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)CC1 ZINC000181416359 821814481 /nfs/dbraw/zinc/81/44/81/821814481.db2.gz PELALHPQIUACEW-UHFFFAOYSA-N 1 1 389.446 4.048 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)CCC3)cc1 ZINC000181424058 821819708 /nfs/dbraw/zinc/81/97/08/821819708.db2.gz MVZOILDHWPCKHF-ACJLOTCBSA-N 1 1 382.533 4.448 20 0 GIADMO COc1ccc(C[C@@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)c2ccc(OC)cc2)cc1 ZINC000181424851 821820061 /nfs/dbraw/zinc/82/00/61/821820061.db2.gz MBHUVXXVNCOVMZ-QMHKHESXSA-N 1 1 379.504 4.240 20 0 GIADMO COCCc1nc(C)c([C@@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431906 821823340 /nfs/dbraw/zinc/82/33/40/821823340.db2.gz FATOSBCDZMBIHO-MBOZVWFJSA-N 1 1 387.593 4.344 20 0 GIADMO COCCc1nc(C)c([C@@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431906 821823345 /nfs/dbraw/zinc/82/33/45/821823345.db2.gz FATOSBCDZMBIHO-MBOZVWFJSA-N 1 1 387.593 4.344 20 0 GIADMO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccc(OC)cc2)C12CCCCC2 ZINC000181452525 821831807 /nfs/dbraw/zinc/83/18/07/821831807.db2.gz GQGJUELMKFPTDB-NJYVYQBISA-N 1 1 383.536 4.236 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181463868 821838172 /nfs/dbraw/zinc/83/81/72/821838172.db2.gz QCYQAXCEEUNOIQ-SFHVURJKSA-N 1 1 392.551 4.393 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181463868 821838179 /nfs/dbraw/zinc/83/81/79/821838179.db2.gz QCYQAXCEEUNOIQ-SFHVURJKSA-N 1 1 392.551 4.393 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(I)cc1 ZINC000181479092 821843884 /nfs/dbraw/zinc/84/38/84/821843884.db2.gz ULYLESADACCEMY-ZDUSSCGKSA-N 1 1 395.288 4.454 20 0 GIADMO C[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cccnc1 ZINC000181493917 821852057 /nfs/dbraw/zinc/85/20/57/821852057.db2.gz GMLYTZMOXUANEC-CQSZACIVSA-N 1 1 392.330 4.273 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000181495502 821852634 /nfs/dbraw/zinc/85/26/34/821852634.db2.gz LFZRTFWAUZWJKN-GOSISDBHSA-N 1 1 375.472 4.375 20 0 GIADMO CC(C)OCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181495057 821852777 /nfs/dbraw/zinc/85/27/77/821852777.db2.gz VXSAPPUORDSXCA-UHFFFAOYSA-N 1 1 387.351 4.279 20 0 GIADMO O=C(CCc1ccoc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181496751 821853812 /nfs/dbraw/zinc/85/38/12/821853812.db2.gz KYQKXKQTQUYCQK-UHFFFAOYSA-N 1 1 381.303 4.300 20 0 GIADMO CS[C@@H](C)CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181497574 821854419 /nfs/dbraw/zinc/85/44/19/821854419.db2.gz IAOXBYDALGOCDY-LBPRGKRZSA-N 1 1 375.365 4.216 20 0 GIADMO C[C@H](NC(=O)CCCc1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181498682 821854895 /nfs/dbraw/zinc/85/48/95/821854895.db2.gz IFFCIOJIHKRBMH-IRXDYDNUSA-N 1 1 385.577 4.388 20 0 GIADMO C[C@H](NC(=O)c1csc(-c2cccs2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181499649 821855560 /nfs/dbraw/zinc/85/55/60/821855560.db2.gz IYWZQMTYCQKVRK-KBPBESRZSA-N 1 1 375.563 4.254 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(C(F)(F)F)cc1 ZINC000181507226 821858621 /nfs/dbraw/zinc/85/86/21/821858621.db2.gz SYYMCSSXOCBLTC-SFHVURJKSA-N 1 1 399.482 4.280 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(Nc2ccccc2)n1)c1ccc(-n2cncn2)cc1 ZINC000181510051 821860678 /nfs/dbraw/zinc/86/06/78/821860678.db2.gz YDPQZOBBGGLCKG-OAHLLOKOSA-N 1 1 376.489 4.318 20 0 GIADMO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2F)n1 ZINC000181530087 821867858 /nfs/dbraw/zinc/86/78/58/821867858.db2.gz ABTXQAVBPKWBGM-HKUYNNGSSA-N 1 1 398.526 4.011 20 0 GIADMO C[C@@H](NC(=O)CSCc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181533306 821870801 /nfs/dbraw/zinc/87/08/01/821870801.db2.gz BBOIOMMTBUHDES-WBVHZDCISA-N 1 1 380.985 4.342 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000181536790 821871952 /nfs/dbraw/zinc/87/19/52/821871952.db2.gz WALHOHQOSXSKRX-BLLLJJGKSA-N 1 1 395.425 4.081 20 0 GIADMO Cc1cc(C(=O)CCC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)s1 ZINC000181543450 821874648 /nfs/dbraw/zinc/87/46/48/821874648.db2.gz RCVCYIVFTLEJEH-WBVHZDCISA-N 1 1 376.566 4.097 20 0 GIADMO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000181549099 821877009 /nfs/dbraw/zinc/87/70/09/821877009.db2.gz POAICJKSLKQRQO-ICSRJNTNSA-N 1 1 394.563 4.180 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1cccc(O)c1 ZINC000181562928 821881950 /nfs/dbraw/zinc/88/19/50/821881950.db2.gz GGIRTGBWTWJMTF-KDOFPFPSSA-N 1 1 395.484 4.075 20 0 GIADMO Cc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cccc1C(=O)Nc1ccccc1 ZINC000181577799 821886302 /nfs/dbraw/zinc/88/63/02/821886302.db2.gz ZSPDTHGXODTUML-OAQYLSRUSA-N 1 1 394.519 4.051 20 0 GIADMO C[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181629810 821912375 /nfs/dbraw/zinc/91/23/75/821912375.db2.gz PKKVMDQEFNGVIV-MJGOQNOKSA-N 1 1 379.504 4.257 20 0 GIADMO Cc1csc2nc(C[NH2+][C@H](c3ccc(F)cc3F)C(C)(C)C)cc(=O)n12 ZINC000181631639 821913210 /nfs/dbraw/zinc/91/32/10/821913210.db2.gz CSDLOYNXXNONAG-QGZVFWFLSA-N 1 1 377.460 4.220 20 0 GIADMO C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181635900 821915737 /nfs/dbraw/zinc/91/57/37/821915737.db2.gz JHGNYKBUOBDWSO-HZPDHXFCSA-N 1 1 376.491 4.156 20 0 GIADMO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cccc1-c1ccccn1 ZINC000181664010 821931314 /nfs/dbraw/zinc/93/13/14/821931314.db2.gz UDQPHAGUARVMKM-RTBURBONSA-N 1 1 377.532 4.440 20 0 GIADMO CCC[C@@H]([NH2+]CC(=O)Nc1cc(OC)ccc1OC)c1ccc(F)cc1F ZINC000181666772 821932971 /nfs/dbraw/zinc/93/29/71/821932971.db2.gz HGTQFIDUFYSCAD-QGZVFWFLSA-N 1 1 378.419 4.052 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)cc1Br ZINC000181674894 821938462 /nfs/dbraw/zinc/93/84/62/821938462.db2.gz JMTFZOSXICPYHQ-LLVKDONJSA-N 1 1 391.313 4.112 20 0 GIADMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1NC(=O)CC(C)C ZINC000181683236 821942542 /nfs/dbraw/zinc/94/25/42/821942542.db2.gz GBYHGXJLLSTNEW-AZUAARDMSA-N 1 1 399.579 4.362 20 0 GIADMO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000181709996 821953617 /nfs/dbraw/zinc/95/36/17/821953617.db2.gz PJJNAZAOFJEASX-MRXNPFEDSA-N 1 1 397.544 4.359 20 0 GIADMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000181716615 821958428 /nfs/dbraw/zinc/95/84/28/821958428.db2.gz LHKOYSGIFJGCQI-LBPRGKRZSA-N 1 1 394.472 4.083 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000181748473 821975018 /nfs/dbraw/zinc/97/50/18/821975018.db2.gz ZFSNBBAFISXTBN-QFIPXVFZSA-N 1 1 379.548 4.178 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](C)c2ccc(Oc3ccccc3)cc2)cs1 ZINC000181810567 822002147 /nfs/dbraw/zinc/00/21/47/822002147.db2.gz WLTHRQISMHUTDO-OAHLLOKOSA-N 1 1 381.501 4.075 20 0 GIADMO CSc1cccc(NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c1 ZINC000181824141 822007160 /nfs/dbraw/zinc/00/71/60/822007160.db2.gz SQMHSPNWADNCQL-IBGZPJMESA-N 1 1 386.517 4.020 20 0 GIADMO CS(=O)(=O)Cc1nc(C[NH2+][C@@H](CC2CCCCC2)c2ccccc2)cs1 ZINC000181826104 822008040 /nfs/dbraw/zinc/00/80/40/822008040.db2.gz VBLZSUMAQXKOIS-IBGZPJMESA-N 1 1 392.590 4.489 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000181910525 822034638 /nfs/dbraw/zinc/03/46/38/822034638.db2.gz CKJMRVAIBLSSTC-UHFFFAOYSA-N 1 1 399.800 4.111 20 0 GIADMO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2ccc(OC)cc2Br)cc1 ZINC000181911612 822035019 /nfs/dbraw/zinc/03/50/19/822035019.db2.gz FLEBMHHQNQHEMO-ORAYPTAESA-N 1 1 394.309 4.241 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccnc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914283 822035600 /nfs/dbraw/zinc/03/56/00/822035600.db2.gz GVGRDUZUOHZMIC-PXAZEXFGSA-N 1 1 397.281 4.342 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000181917449 822036162 /nfs/dbraw/zinc/03/61/62/822036162.db2.gz HMUMORDKGYUMAZ-OAHLLOKOSA-N 1 1 384.293 4.134 20 0 GIADMO O=C(Nc1ccnc(Cl)c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000181923711 822037206 /nfs/dbraw/zinc/03/72/06/822037206.db2.gz IVDTWOHHKJFOCY-MJGOQNOKSA-N 1 1 384.911 4.253 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(Cl)cc1F ZINC000181954592 822044332 /nfs/dbraw/zinc/04/43/32/822044332.db2.gz ONZNEPVMSBMLET-NRFANRHFSA-N 1 1 390.934 4.113 20 0 GIADMO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2cc(Cl)ccc2o1 ZINC000181975884 822050544 /nfs/dbraw/zinc/05/05/44/822050544.db2.gz NTDCXBCOPQKMKE-HNNXBMFYSA-N 1 1 399.922 4.228 20 0 GIADMO CCO[C@@H](C)c1nc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cs1 ZINC000181982362 822052560 /nfs/dbraw/zinc/05/25/60/822052560.db2.gz NGVWMYCZNIENQZ-LIRRHRJNSA-N 1 1 376.522 4.499 20 0 GIADMO COc1ccc(C[C@H](C)C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1OC ZINC000181986035 822053643 /nfs/dbraw/zinc/05/36/43/822053643.db2.gz KKSDUFJQMJFRJU-SFHVURJKSA-N 1 1 398.547 4.039 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(Cl)c1F ZINC000182010064 822060785 /nfs/dbraw/zinc/06/07/85/822060785.db2.gz ZRCDWFCZCGPFPW-HNNXBMFYSA-N 1 1 378.850 4.212 20 0 GIADMO COc1cccc(-c2nc(C[NH2+][C@@H](C)c3ccc(-n4ccnn4)cc3)cs2)c1 ZINC000182026283 822066694 /nfs/dbraw/zinc/06/66/94/822066694.db2.gz MKRVGRWUKSQPIK-HNNXBMFYSA-N 1 1 391.500 4.250 20 0 GIADMO CC(=O)Nc1ccc([C@@H](C)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182090025 822089146 /nfs/dbraw/zinc/08/91/46/822089146.db2.gz OVKRROLSOVDGPP-MOPGFXCFSA-N 1 1 395.547 4.196 20 0 GIADMO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccccc1 ZINC000182101200 822093910 /nfs/dbraw/zinc/09/39/10/822093910.db2.gz JBENMQQTNFIIJZ-HFJWLAOPSA-N 1 1 375.440 4.434 20 0 GIADMO CCSc1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000182132169 822109654 /nfs/dbraw/zinc/10/96/54/822109654.db2.gz MGTDIIKNESZIPY-OAHLLOKOSA-N 1 1 394.562 4.027 20 0 GIADMO COc1cc([C@@H](C)[NH2+]C2(c3cccc(F)c3)CC2)ccc1S(=O)(=O)C(F)F ZINC000182214988 822151211 /nfs/dbraw/zinc/15/12/11/822151211.db2.gz YTFZWKMUSKHIRT-GFCCVEGCSA-N 1 1 399.434 4.171 20 0 GIADMO COc1cc(C[NH2+]C2(c3nc(C)cs3)CCCC2)ccc1OC(=O)C1CC1 ZINC000182217308 822152191 /nfs/dbraw/zinc/15/21/91/822152191.db2.gz GDAKZTIULGYYIE-UHFFFAOYSA-N 1 1 386.517 4.335 20 0 GIADMO CC1(C)CN(CC(F)(F)F)CC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000182231892 822158564 /nfs/dbraw/zinc/15/85/64/822158564.db2.gz LGKSKIFTTAASAT-UHFFFAOYSA-N 1 1 393.453 4.127 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)[C@H]1CCCO1 ZINC000182236085 822160332 /nfs/dbraw/zinc/16/03/32/822160332.db2.gz PYCFIEDTVDALPG-UYAOXDASSA-N 1 1 387.549 4.492 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cs2)c(OC)c1 ZINC000182257403 822172518 /nfs/dbraw/zinc/17/25/18/822172518.db2.gz AAVIKMFYPALLEC-ZDUSSCGKSA-N 1 1 398.484 4.407 20 0 GIADMO COc1cccc(-c2nc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cs2)c1OC ZINC000182267974 822179019 /nfs/dbraw/zinc/17/90/19/822179019.db2.gz NMGLZPWDEWXJMQ-ZDUSSCGKSA-N 1 1 398.484 4.407 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)[C@@H]1CCCO1 ZINC000182344343 822208938 /nfs/dbraw/zinc/20/89/38/822208938.db2.gz OYDSISBGQGFAPZ-QUCCMNQESA-N 1 1 387.549 4.492 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccnn2-c2ccccc2C)CC1 ZINC000182379126 822221530 /nfs/dbraw/zinc/22/15/30/822221530.db2.gz NDQJMZQWCPHHQA-UHFFFAOYSA-N 1 1 383.540 4.157 20 0 GIADMO COc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1Br ZINC000182421354 822236714 /nfs/dbraw/zinc/23/67/14/822236714.db2.gz KSXINOQPSRYBTF-KDOFPFPSSA-N 1 1 390.325 4.175 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+]C(C)(C)c3ccc(F)c(F)c3)co2)cc1 ZINC000182440466 822244045 /nfs/dbraw/zinc/24/40/45/822244045.db2.gz ONCYHXPTFILDKU-UHFFFAOYSA-N 1 1 386.398 4.431 20 0 GIADMO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(C)noc1C ZINC000182460475 822251312 /nfs/dbraw/zinc/25/13/12/822251312.db2.gz GVDNPHHTMVHATJ-HZPDHXFCSA-N 1 1 382.291 4.444 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000182460614 822251708 /nfs/dbraw/zinc/25/17/08/822251708.db2.gz FZYITZAOHKQNEW-YLJYHZDGSA-N 1 1 382.552 4.072 20 0 GIADMO COc1cccc2[nH]cc(CC(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)c21 ZINC000182463346 822252827 /nfs/dbraw/zinc/25/28/27/822252827.db2.gz OJPRTCFVQKWINH-SFHVURJKSA-N 1 1 397.563 4.222 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1c(C)noc1C ZINC000182470087 822255216 /nfs/dbraw/zinc/25/52/16/822255216.db2.gz YFTLBYMKQQBMHY-CYBMUJFWSA-N 1 1 387.814 4.226 20 0 GIADMO COCCOc1ccc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000177969024 822262094 /nfs/dbraw/zinc/26/20/94/822262094.db2.gz VDBLXMQRJBAPTC-FQEVSTJZSA-N 1 1 382.548 4.070 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182486774 822262890 /nfs/dbraw/zinc/26/28/90/822262890.db2.gz PNWKABCJFMSSQH-DQLDELGASA-N 1 1 380.536 4.328 20 0 GIADMO Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000177988869 822271398 /nfs/dbraw/zinc/27/13/98/822271398.db2.gz QZQPPBONMXHJDP-UHFFFAOYSA-N 1 1 376.504 4.179 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)c1c(C)noc1C ZINC000182513684 822276945 /nfs/dbraw/zinc/27/69/45/822276945.db2.gz VTVUTNUATISVSF-AWEZNQCLSA-N 1 1 380.286 4.042 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)sc1C ZINC000178000961 822277203 /nfs/dbraw/zinc/27/72/03/822277203.db2.gz JWTXSCNPGMSVHE-ZDUSSCGKSA-N 1 1 395.454 4.201 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1 ZINC000178003425 822278489 /nfs/dbraw/zinc/27/84/89/822278489.db2.gz BNKUCKNTTBEOPB-MRXNPFEDSA-N 1 1 378.948 4.136 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000182519152 822279569 /nfs/dbraw/zinc/27/95/69/822279569.db2.gz ZQCLGWJCYOSOLQ-KUHUBIRLSA-N 1 1 375.900 4.023 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccnc2Oc2cccc(C)c2C)C1 ZINC000178018968 822284259 /nfs/dbraw/zinc/28/42/59/822284259.db2.gz ZHUSHMQZGAYUJA-SFHVURJKSA-N 1 1 382.508 4.296 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)C1 ZINC000178025916 822288346 /nfs/dbraw/zinc/28/83/46/822288346.db2.gz GSZJEHCKYVWGCU-KRWDZBQOSA-N 1 1 398.576 4.116 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)cc1CN1CCCCC1 ZINC000182537920 822289635 /nfs/dbraw/zinc/28/96/35/822289635.db2.gz XOUKEQKAWROMNB-GCJKJVERSA-N 1 1 398.547 4.074 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)cs1 ZINC000182540913 822292258 /nfs/dbraw/zinc/29/22/58/822292258.db2.gz UPFQAHVOJSKLRM-LJQANCHMSA-N 1 1 377.941 4.106 20 0 GIADMO Brc1ccc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccco2)cc1 ZINC000182541317 822292280 /nfs/dbraw/zinc/29/22/80/822292280.db2.gz WQTNRVIECHREEL-AUUYWEPGSA-N 1 1 375.310 4.205 20 0 GIADMO CS(=O)(=O)Cc1nc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)cs1 ZINC000182540718 822292416 /nfs/dbraw/zinc/29/24/16/822292416.db2.gz DTLOFIFVGZSBCH-SFHVURJKSA-N 1 1 398.981 4.362 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)C1 ZINC000178040736 822294651 /nfs/dbraw/zinc/29/46/51/822294651.db2.gz UNLRMHQMZJNROT-HNNXBMFYSA-N 1 1 388.899 4.333 20 0 GIADMO COc1cc([C@@H](C)Nc2ccc([NH+]3CCCC3)cc2C)ccc1S(C)(=O)=O ZINC000182563726 822304835 /nfs/dbraw/zinc/30/48/35/822304835.db2.gz GCXVJNMWQYKHAS-MRXNPFEDSA-N 1 1 388.533 4.180 20 0 GIADMO Cc1cccc2nc(C[NH2+][C@@H]3CCCOc4cc(Br)ccc43)cn21 ZINC000178060990 822304986 /nfs/dbraw/zinc/30/49/86/822304986.db2.gz QWMUYASOVPFAFY-QGZVFWFLSA-N 1 1 386.293 4.409 20 0 GIADMO COc1cccc2[nH]cc(CC(=O)Nc3cccc4c3C[N@@H+](CC(C)C)C4)c21 ZINC000182576796 822309309 /nfs/dbraw/zinc/30/93/09/822309309.db2.gz FMLUEXNURYHFKZ-UHFFFAOYSA-N 1 1 377.488 4.329 20 0 GIADMO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000182591395 822314461 /nfs/dbraw/zinc/31/44/61/822314461.db2.gz RPTAPCXYRLCLGZ-HOTGVXAUSA-N 1 1 381.701 4.370 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000182591456 822314519 /nfs/dbraw/zinc/31/45/19/822314519.db2.gz RPTAPCXYRLCLGZ-HZPDHXFCSA-N 1 1 381.701 4.370 20 0 GIADMO CC[C@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F)c1nccn1C ZINC000182609017 822320928 /nfs/dbraw/zinc/32/09/28/822320928.db2.gz VZZNHMUCJPEEJF-SFHVURJKSA-N 1 1 391.441 4.482 20 0 GIADMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000178175939 822342811 /nfs/dbraw/zinc/34/28/11/822342811.db2.gz VFSWNGFMBNHGLE-OFNKIYASSA-N 1 1 377.532 4.074 20 0 GIADMO Cc1cc(N2CCC(NC(=O)C[C@@H](C)c3ccc(C(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000178176629 822343417 /nfs/dbraw/zinc/34/34/17/822343417.db2.gz PHZKJZTXKYCUEV-QGZVFWFLSA-N 1 1 394.563 4.496 20 0 GIADMO CC[C@H](C)[C@@H](C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccccc1 ZINC000178182569 822344990 /nfs/dbraw/zinc/34/49/90/822344990.db2.gz UJXWUDKWGRICMN-KSFYIVLOSA-N 1 1 380.536 4.008 20 0 GIADMO Cc1cc(N2CCC(NC(=O)C[C@H](c3ccccc3)C(C)C)CC2)nc(C)[nH+]1 ZINC000178183140 822345569 /nfs/dbraw/zinc/34/55/69/822345569.db2.gz MEHSGHKKHHRNNT-NRFANRHFSA-N 1 1 380.536 4.008 20 0 GIADMO COCCC[C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000182683497 822350701 /nfs/dbraw/zinc/35/07/01/822350701.db2.gz OVCNBSCIMBMSDC-JVPBZIDWSA-N 1 1 384.923 4.182 20 0 GIADMO COCCC[C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000182683497 822350714 /nfs/dbraw/zinc/35/07/14/822350714.db2.gz OVCNBSCIMBMSDC-JVPBZIDWSA-N 1 1 384.923 4.182 20 0 GIADMO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+][C@H](C)C3CCCCC3)nc(=O)c2c1C ZINC000182693902 822353020 /nfs/dbraw/zinc/35/30/20/822353020.db2.gz UVVZOBUELGITTF-CHWSQXEVSA-N 1 1 391.537 4.089 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2F)c(OC)c1OC ZINC000178222926 822355704 /nfs/dbraw/zinc/35/57/04/822355704.db2.gz YFDQQCUAHLQDSB-LLVKDONJSA-N 1 1 398.272 4.465 20 0 GIADMO CSc1cc(C)ccc1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182724609 822358045 /nfs/dbraw/zinc/35/80/45/822358045.db2.gz NFEGMAYPAHANIB-SJLPKXTDSA-N 1 1 375.582 4.169 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)[C@H](C)C1 ZINC000182732663 822359208 /nfs/dbraw/zinc/35/92/08/822359208.db2.gz FESJXEQBVPWFKO-DYESRHJHSA-N 1 1 391.519 4.220 20 0 GIADMO O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178259689 822360209 /nfs/dbraw/zinc/36/02/09/822360209.db2.gz JFQZWSAHUWGBDM-LJQANCHMSA-N 1 1 386.536 4.085 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000182756752 822362969 /nfs/dbraw/zinc/36/29/69/822362969.db2.gz NGAAKEZAOUPWMV-PMACEKPBSA-N 1 1 389.588 4.021 20 0 GIADMO COCc1ccsc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000182761740 822363825 /nfs/dbraw/zinc/36/38/25/822363825.db2.gz KIRSYIXAPCWJFI-DYVFJYSZSA-N 1 1 396.915 4.110 20 0 GIADMO COCc1ccsc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000182761740 822363843 /nfs/dbraw/zinc/36/38/43/822363843.db2.gz KIRSYIXAPCWJFI-DYVFJYSZSA-N 1 1 396.915 4.110 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000178315901 822366755 /nfs/dbraw/zinc/36/67/55/822366755.db2.gz XPOKJFLJVSUHSQ-CYBMUJFWSA-N 1 1 381.419 4.473 20 0 GIADMO CCN(c1nnc([C@@H]2CC[C@H](C)O2)n1CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000453457374 822367621 /nfs/dbraw/zinc/36/76/21/822367621.db2.gz ATWUCXXAOANMLQ-QIJZPMMNSA-N 1 1 397.567 4.200 20 0 GIADMO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453462708 822369306 /nfs/dbraw/zinc/36/93/06/822369306.db2.gz JCEGQHPUDIUSRV-ZFMNYDKASA-N 1 1 397.567 4.027 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)n1 ZINC000182816416 822372292 /nfs/dbraw/zinc/37/22/92/822372292.db2.gz VCHFKIASMGZJBL-INIZCTEOSA-N 1 1 376.382 4.394 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)n1 ZINC000182816416 822372296 /nfs/dbraw/zinc/37/22/96/822372296.db2.gz VCHFKIASMGZJBL-INIZCTEOSA-N 1 1 376.382 4.394 20 0 GIADMO C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182821975 822373113 /nfs/dbraw/zinc/37/31/13/822373113.db2.gz NNDGZITXHYBIEP-GOEBONIOSA-N 1 1 386.927 4.113 20 0 GIADMO O=C(Nc1c(F)cc(Cl)cc1F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000182831562 822374732 /nfs/dbraw/zinc/37/47/32/822374732.db2.gz XHOVITMWWXHJHU-UHFFFAOYSA-N 1 1 397.828 4.497 20 0 GIADMO O=C(Nc1c(F)cc(Cl)cc1F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000182831562 822374737 /nfs/dbraw/zinc/37/47/37/822374737.db2.gz XHOVITMWWXHJHU-UHFFFAOYSA-N 1 1 397.828 4.497 20 0 GIADMO CC1([C@@H]2CCC[N@@H+](Cn3c(-c4ccccc4)csc3=S)C2)OCCO1 ZINC000182833190 822375051 /nfs/dbraw/zinc/37/50/51/822375051.db2.gz IYHLKIWIJDXDQR-MRXNPFEDSA-N 1 1 376.547 4.379 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC(F)(F)F)c1 ZINC000182846230 822377766 /nfs/dbraw/zinc/37/77/66/822377766.db2.gz MWGNJGPSPRCDBE-BEFAXECRSA-N 1 1 379.426 4.345 20 0 GIADMO CCc1ccc(-c2nc(C[NH+]3CCC(N4CCCCC4=O)CC3)cs2)cc1 ZINC000178426787 822377978 /nfs/dbraw/zinc/37/79/78/822377978.db2.gz UVNPEPPIWCLTKH-UHFFFAOYSA-N 1 1 383.561 4.349 20 0 GIADMO C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182847263 822378059 /nfs/dbraw/zinc/37/80/59/822378059.db2.gz DIGLBLUQAFOAON-PIKOESSRSA-N 1 1 387.543 4.366 20 0 GIADMO O=C(Nc1ccccc1SC(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178432488 822378740 /nfs/dbraw/zinc/37/87/40/822378740.db2.gz YSYHTJRFKAFULY-CJNGLKHVSA-N 1 1 381.492 4.482 20 0 GIADMO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182866139 822381751 /nfs/dbraw/zinc/38/17/51/822381751.db2.gz SJQYHHUWOZBELX-DZGCQCFKSA-N 1 1 392.931 4.073 20 0 GIADMO CC(=O)Nc1cccc(C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000178467936 822382215 /nfs/dbraw/zinc/38/22/15/822382215.db2.gz DCXQECDYRZFOBD-LJQANCHMSA-N 1 1 377.529 4.016 20 0 GIADMO C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182874149 822383819 /nfs/dbraw/zinc/38/38/19/822383819.db2.gz UIUVXCPIIXHVFH-QUCCMNQESA-N 1 1 390.527 4.300 20 0 GIADMO C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182875499 822383944 /nfs/dbraw/zinc/38/39/44/822383944.db2.gz NHJJBYRPIMDDJD-NJSLBKSFSA-N 1 1 399.362 4.186 20 0 GIADMO CC(C)(C)[NH+]1CCC(NC[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000178481269 822383904 /nfs/dbraw/zinc/38/39/04/822383904.db2.gz LQADYPRSUSXZDM-HSZRJFAPSA-N 1 1 382.548 4.152 20 0 GIADMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCC[N@@H+]1CCCn1ccnc1 ZINC000182888078 822386535 /nfs/dbraw/zinc/38/65/35/822386535.db2.gz MPRXYJPGPKFYGR-KRWDZBQOSA-N 1 1 381.307 4.073 20 0 GIADMO Cc1cc(Br)c(C[NH2+][C@H](c2nnc3ccccn32)C(C)C)s1 ZINC000453578498 822387259 /nfs/dbraw/zinc/38/72/59/822387259.db2.gz YTMCGSPCWNTMDW-HNNXBMFYSA-N 1 1 379.327 4.349 20 0 GIADMO C[C@@H](NC(=O)N1CCc2ccc(Cl)cc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182897255 822388251 /nfs/dbraw/zinc/38/82/51/822388251.db2.gz MLFNKSQAPMAPFT-WBVHZDCISA-N 1 1 375.944 4.061 20 0 GIADMO C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898017 822388428 /nfs/dbraw/zinc/38/84/28/822388428.db2.gz FDHYSOHQSYOVJK-CABCVRRESA-N 1 1 386.927 4.113 20 0 GIADMO Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000178533428 822388787 /nfs/dbraw/zinc/38/87/87/822388787.db2.gz QBJSRLJSMDSYLM-IRLDBZIGSA-N 1 1 378.520 4.217 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899896 822388870 /nfs/dbraw/zinc/38/88/70/822388870.db2.gz ACYHLWFNXMHHRR-CHWSQXEVSA-N 1 1 380.876 4.023 20 0 GIADMO Cc1cc(Br)c(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)s1 ZINC000453587056 822389261 /nfs/dbraw/zinc/38/92/61/822389261.db2.gz KHIFDMXRIPFREG-INIZCTEOSA-N 1 1 393.350 4.272 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NCc2sc(C)cc2Br)[C@H](C)C1 ZINC000453592372 822390191 /nfs/dbraw/zinc/39/01/91/822390191.db2.gz RCXIXUNJVHOZKS-CZUORRHYSA-N 1 1 389.403 4.046 20 0 GIADMO C[C@@H](NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182912599 822391641 /nfs/dbraw/zinc/39/16/41/822391641.db2.gz MFFTXEUWZYWALU-CVEARBPZSA-N 1 1 398.526 4.028 20 0 GIADMO CON1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000453604880 822391800 /nfs/dbraw/zinc/39/18/00/822391800.db2.gz NKSVCQYHFOHESF-UHFFFAOYSA-N 1 1 382.533 4.058 20 0 GIADMO O=C1[C@@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C[C@H]2CCCCN12 ZINC000453631187 822395670 /nfs/dbraw/zinc/39/56/70/822395670.db2.gz OSEOLSBGTKCZHY-DOMZBBRYSA-N 1 1 396.343 4.360 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc(Cl)cn2)c1 ZINC000182936686 822396045 /nfs/dbraw/zinc/39/60/45/822396045.db2.gz HOJYPOOXRMJXHA-UHFFFAOYSA-N 1 1 383.883 4.425 20 0 GIADMO Cc1cccc(NC2CCN(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC000182947188 822397878 /nfs/dbraw/zinc/39/78/78/822397878.db2.gz FBOVRLUSFRYRKO-WOJBJXKFSA-N 1 1 398.595 4.234 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182947986 822398073 /nfs/dbraw/zinc/39/80/73/822398073.db2.gz YTAFBRYEKFWJDN-SJORKVTESA-N 1 1 386.540 4.056 20 0 GIADMO C[C@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182950024 822398440 /nfs/dbraw/zinc/39/84/40/822398440.db2.gz DIOQALTVRANOMY-JKSUJKDBSA-N 1 1 375.944 4.281 20 0 GIADMO C[C@H](NC(=O)N(Cc1ccco1)Cc1ccco1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182951995 822398918 /nfs/dbraw/zinc/39/89/18/822398918.db2.gz ZYFAVUJIIVCQPL-ZWKOTPCHSA-N 1 1 385.508 4.237 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000045696846 822406139 /nfs/dbraw/zinc/40/61/39/822406139.db2.gz MFXWISJAIBAHKA-MRXNPFEDSA-N 1 1 385.895 4.019 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3cccc(C4CC4)c3)c2C1 ZINC000453771924 822408726 /nfs/dbraw/zinc/40/87/26/822408726.db2.gz BAFAMMWSJLTCGK-INIZCTEOSA-N 1 1 391.515 4.106 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3cccc(C4CC4)c3)c2C1 ZINC000453771924 822408728 /nfs/dbraw/zinc/40/87/28/822408728.db2.gz BAFAMMWSJLTCGK-INIZCTEOSA-N 1 1 391.515 4.106 20 0 GIADMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1Cl ZINC000183007788 822410430 /nfs/dbraw/zinc/41/04/30/822410430.db2.gz NHPVUIYCDVNNCL-ORAYPTAESA-N 1 1 375.875 4.102 20 0 GIADMO COc1cccc(CN(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000045780267 822413049 /nfs/dbraw/zinc/41/30/49/822413049.db2.gz LPSDAXTXDRXWNF-IBGZPJMESA-N 1 1 395.547 4.411 20 0 GIADMO COc1ccc(CN(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000045786630 822413480 /nfs/dbraw/zinc/41/34/80/822413480.db2.gz MZWBIBUFQHOZBV-IBGZPJMESA-N 1 1 395.547 4.269 20 0 GIADMO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000045786612 822413523 /nfs/dbraw/zinc/41/35/23/822413523.db2.gz YDGLXJCSVQJGHN-IBGZPJMESA-N 1 1 380.536 4.045 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cc(-c2ccccc2)no1 ZINC000045789901 822414026 /nfs/dbraw/zinc/41/40/26/822414026.db2.gz YYGBQNONOCGGPJ-UHFFFAOYSA-N 1 1 392.503 4.181 20 0 GIADMO C[S@@](=O)C[C@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000183086922 822423219 /nfs/dbraw/zinc/42/32/19/822423219.db2.gz XUJHTODMUDIVNI-RBISFHTESA-N 1 1 392.524 4.148 20 0 GIADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000183106147 822425379 /nfs/dbraw/zinc/42/53/79/822425379.db2.gz LXKRDDJGXILFAE-NWDGAFQWSA-N 1 1 386.970 4.246 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)C3(c4ccc(F)cc4F)CCC3)cc2)CC1 ZINC000183115405 822426431 /nfs/dbraw/zinc/42/64/31/822426431.db2.gz OXANCXQRSVLQAI-UHFFFAOYSA-N 1 1 399.485 4.167 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000045980149 822429346 /nfs/dbraw/zinc/42/93/46/822429346.db2.gz AQSSRODPYRIOEL-QGZVFWFLSA-N 1 1 394.519 4.199 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045988841 822431158 /nfs/dbraw/zinc/43/11/58/822431158.db2.gz NRIQDKNJYHPZII-SFHVURJKSA-N 1 1 388.556 4.447 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nc([C@@H](C)OCC(C)C)no2)cc1 ZINC000183148676 822431420 /nfs/dbraw/zinc/43/14/20/822431420.db2.gz VTRLZDUPKYGRDW-HZPDHXFCSA-N 1 1 383.496 4.148 20 0 GIADMO Cc1cccc(-c2noc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)n2)c1 ZINC000183171600 822435241 /nfs/dbraw/zinc/43/52/41/822435241.db2.gz SVNSGHBTOAXWRR-UHFFFAOYSA-N 1 1 391.397 4.097 20 0 GIADMO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)c1 ZINC000183181370 822436727 /nfs/dbraw/zinc/43/67/27/822436727.db2.gz HCXDRLHBUSLUAV-JLTOFOAXSA-N 1 1 376.447 4.427 20 0 GIADMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000183182285 822436962 /nfs/dbraw/zinc/43/69/62/822436962.db2.gz STODGSNDEVNJLY-HNNXBMFYSA-N 1 1 388.895 4.366 20 0 GIADMO FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3cccc4c3OCCO4)C2)n1 ZINC000179092999 822437467 /nfs/dbraw/zinc/43/74/67/822437467.db2.gz ZCBVGMPCNYPOKS-CYBMUJFWSA-N 1 1 384.423 4.313 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)n1 ZINC000183196469 822439841 /nfs/dbraw/zinc/43/98/41/822439841.db2.gz PSIAHKAXNDEHAQ-UHFFFAOYSA-N 1 1 393.438 4.258 20 0 GIADMO C[NH+](C)[C@H](C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000179117498 822439942 /nfs/dbraw/zinc/43/99/42/822439942.db2.gz XAZKDSCYBANSHC-HOCLYGCPSA-N 1 1 397.466 4.171 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N(C)Cc3cccc(OC(C)C)c3)CC2)[nH+]c1 ZINC000179123980 822440761 /nfs/dbraw/zinc/44/07/61/822440761.db2.gz FYPKSIBJBICIBV-UHFFFAOYSA-N 1 1 381.520 4.052 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000183231793 822445122 /nfs/dbraw/zinc/44/51/22/822445122.db2.gz ASKPIIZVJMSEGQ-PMACEKPBSA-N 1 1 388.870 4.196 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc(C)c1OCc1ccccn1 ZINC000183236609 822446191 /nfs/dbraw/zinc/44/61/91/822446191.db2.gz VSLHFCIBANIZBV-NRFANRHFSA-N 1 1 396.531 4.252 20 0 GIADMO COc1ccc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cs2)cc1 ZINC000179170323 822446811 /nfs/dbraw/zinc/44/68/11/822446811.db2.gz ZOUAQKCNHZBWAF-DYESRHJHSA-N 1 1 383.561 4.267 20 0 GIADMO c1sc(COc2ccccc2)nc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179181269 822447843 /nfs/dbraw/zinc/44/78/43/822447843.db2.gz WYDNOIOXBOFPHS-UTKZUKDTSA-N 1 1 383.561 4.171 20 0 GIADMO CN(CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C(=O)c1cccs1 ZINC000046189679 822448450 /nfs/dbraw/zinc/44/84/50/822448450.db2.gz TWTFDZINQPNXSL-UHFFFAOYSA-N 1 1 399.560 4.223 20 0 GIADMO CCOc1ccc(Oc2cc(C[NH2+][C@H](c3nccn3C)C3CC3)ccn2)cc1 ZINC000183251928 822448612 /nfs/dbraw/zinc/44/86/12/822448612.db2.gz ZZHNBMPWWOMRDL-NRFANRHFSA-N 1 1 378.476 4.247 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 ZINC000179190925 822448867 /nfs/dbraw/zinc/44/88/67/822448867.db2.gz KQWXATYSOBQSES-UHFFFAOYSA-N 1 1 394.906 4.230 20 0 GIADMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)C[C@@H]21 ZINC000454277728 822448942 /nfs/dbraw/zinc/44/89/42/822448942.db2.gz NQUUMZZABAIYNS-QAPCUYQASA-N 1 1 378.501 4.131 20 0 GIADMO CCCc1ncc(CNC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000454278639 822449402 /nfs/dbraw/zinc/44/94/02/822449402.db2.gz WRIJIAUJFWWBBJ-HDICACEKSA-N 1 1 398.551 4.104 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccccc3SC)CC[N@H+]2C2CC2)c1 ZINC000183269898 822451427 /nfs/dbraw/zinc/45/14/27/822451427.db2.gz OAHKLEBKOFZNCO-FPOVZHCZSA-N 1 1 382.529 4.125 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3c[nH]c4cc(F)ccc34)CC[N@H+]2C2CC2)c1 ZINC000183271958 822451706 /nfs/dbraw/zinc/45/17/06/822451706.db2.gz WTLVPLJYQDKFDL-IFMALSPDSA-N 1 1 393.462 4.023 20 0 GIADMO C[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C(C)(F)F ZINC000454295514 822453539 /nfs/dbraw/zinc/45/35/39/822453539.db2.gz ZEDWQWAXMYFZSL-GFCCVEGCSA-N 1 1 393.400 4.013 20 0 GIADMO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ncc(Br)s1 ZINC000179223973 822453553 /nfs/dbraw/zinc/45/35/53/822453553.db2.gz BKDFYRPNRABAKG-GDBMZVCRSA-N 1 1 394.382 4.121 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ncc(Br)s1 ZINC000179228420 822453994 /nfs/dbraw/zinc/45/39/94/822453994.db2.gz FWPPSYFNODZFJS-IAQYHMDHSA-N 1 1 377.307 4.443 20 0 GIADMO CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H](C)c2ncc(Br)s2)c1 ZINC000179231813 822454664 /nfs/dbraw/zinc/45/46/64/822454664.db2.gz FQDQDOLBMNRJFO-RISCZKNCSA-N 1 1 385.327 4.077 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2ncc(Br)s2)c2ccccc2n1 ZINC000179234645 822455107 /nfs/dbraw/zinc/45/51/07/822455107.db2.gz CQWXVJBAHDETBO-SNVBAGLBSA-N 1 1 378.295 4.313 20 0 GIADMO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C1CC1 ZINC000183300248 822455421 /nfs/dbraw/zinc/45/54/21/822455421.db2.gz ZVBSMMTWAHCLID-FQEVSTJZSA-N 1 1 378.451 4.052 20 0 GIADMO Cc1ccc(OCCCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046341483 822463212 /nfs/dbraw/zinc/46/32/12/822463212.db2.gz GIKOQWVKKSKMNT-WOJBJXKFSA-N 1 1 396.531 4.402 20 0 GIADMO O[C@H](COCc1ccccc1F)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000046344353 822463775 /nfs/dbraw/zinc/46/37/75/822463775.db2.gz ZORNQLGLFKUXRG-KRWDZBQOSA-N 1 1 375.465 4.060 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCSc2ccccc2)C[C@H](C)O1 ZINC000046343910 822463810 /nfs/dbraw/zinc/46/38/10/822463810.db2.gz UTWRZZZKRAITNY-ROUUACIJSA-N 1 1 384.545 4.417 20 0 GIADMO COCCO[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)C1 ZINC000179340467 822468029 /nfs/dbraw/zinc/46/80/29/822468029.db2.gz ADTNKTIYWGWPFZ-GMAHTHKFSA-N 1 1 396.531 4.111 20 0 GIADMO COCCO[C@H]1CCC[N@H+]([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)C1 ZINC000179340467 822468031 /nfs/dbraw/zinc/46/80/31/822468031.db2.gz ADTNKTIYWGWPFZ-GMAHTHKFSA-N 1 1 396.531 4.111 20 0 GIADMO CN(Cc1c(F)cccc1F)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000454408155 822470601 /nfs/dbraw/zinc/47/06/01/822470601.db2.gz ANSLQCGWSOZOSB-OAHLLOKOSA-N 1 1 393.503 4.080 20 0 GIADMO Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046404469 822470656 /nfs/dbraw/zinc/47/06/56/822470656.db2.gz PUWPQSBNYFMWDZ-UHFFFAOYSA-N 1 1 381.451 4.275 20 0 GIADMO CC(C)CCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000183412632 822470722 /nfs/dbraw/zinc/47/07/22/822470722.db2.gz RBKBVKSQTALFJT-HSZRJFAPSA-N 1 1 396.531 4.248 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000183421123 822472007 /nfs/dbraw/zinc/47/20/07/822472007.db2.gz YNXWYEGUAGDLMP-OAQYLSRUSA-N 1 1 388.515 4.280 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC000046436055 822472925 /nfs/dbraw/zinc/47/29/25/822472925.db2.gz LMGMMDQTKLGCDR-HZPDHXFCSA-N 1 1 395.528 4.182 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)cc1OC ZINC000183444516 822475816 /nfs/dbraw/zinc/47/58/16/822475816.db2.gz OCERPXMVFQFGPM-OAHLLOKOSA-N 1 1 388.483 4.080 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000179393295 822476291 /nfs/dbraw/zinc/47/62/91/822476291.db2.gz DGXZCQDPIZKVNW-GOSISDBHSA-N 1 1 398.526 4.095 20 0 GIADMO COCc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000183464538 822478944 /nfs/dbraw/zinc/47/89/44/822478944.db2.gz DXPUAIAODJUMAF-UHFFFAOYSA-N 1 1 377.275 4.010 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000183467328 822479359 /nfs/dbraw/zinc/47/93/59/822479359.db2.gz IROKYWZWXNUSPF-AWEZNQCLSA-N 1 1 383.483 4.338 20 0 GIADMO COc1cccc([C@H]([NH2+]Cc2cccc3nccn32)c2cc(F)ccc2OC)c1 ZINC000179428871 822481182 /nfs/dbraw/zinc/48/11/82/822481182.db2.gz FEOUXWORJZOOBP-QHCPKHFHSA-N 1 1 391.446 4.370 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(Br)ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183480010 822482364 /nfs/dbraw/zinc/48/23/64/822482364.db2.gz DDPSFUQYZGIBBE-CHWSQXEVSA-N 1 1 398.320 4.363 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)N[C@@H](C)CC(C)(C)C)CC2)cs1 ZINC000454491182 822483940 /nfs/dbraw/zinc/48/39/40/822483940.db2.gz SXNIPZJTXVAAKW-HNNXBMFYSA-N 1 1 380.602 4.041 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000179447364 822484557 /nfs/dbraw/zinc/48/45/57/822484557.db2.gz HNBZFRIYUFCPKC-IBGZPJMESA-N 1 1 393.531 4.037 20 0 GIADMO CCOc1cccc(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)c1OC(F)F ZINC000179447906 822484562 /nfs/dbraw/zinc/48/45/62/822484562.db2.gz UEUVUDLIAXWXSR-ZDUSSCGKSA-N 1 1 390.434 4.197 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C1)C(=O)OC(C)(C)C ZINC000179450734 822484964 /nfs/dbraw/zinc/48/49/64/822484964.db2.gz SMGSHVJJZFPUOJ-ZDUSSCGKSA-N 1 1 390.496 4.424 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000179465480 822486777 /nfs/dbraw/zinc/48/67/77/822486777.db2.gz VJAMAVJYZYNPCI-NSHDSACASA-N 1 1 385.480 4.165 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](CO)C2CCCCC2)c1 ZINC000454507388 822486924 /nfs/dbraw/zinc/48/69/24/822486924.db2.gz LEMFXAVXHJMIGR-HXUWFJFHSA-N 1 1 398.551 4.365 20 0 GIADMO CC[N@@H+](Cc1c(C)nn(CC(=O)OC(C)C)c1C)[C@@H](C)c1cccc(OC)c1 ZINC000179470223 822487494 /nfs/dbraw/zinc/48/74/94/822487494.db2.gz SLDVQZGXFUNIQU-KRWDZBQOSA-N 1 1 387.524 4.043 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2OCC(F)(F)F)[C@@H]1c1ccccc1 ZINC000179479002 822488579 /nfs/dbraw/zinc/48/85/79/822488579.db2.gz ZYXJZIIVLBVBNQ-WMZOPIPTSA-N 1 1 393.409 4.195 20 0 GIADMO Cc1cccc(NC2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)CC2)c1 ZINC000179481324 822488924 /nfs/dbraw/zinc/48/89/24/822488924.db2.gz IXRHUASTXCDDCX-DHIUTWEWSA-N 1 1 392.547 4.026 20 0 GIADMO Cc1cccc(CN(C)C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1 ZINC000454517717 822489431 /nfs/dbraw/zinc/48/94/31/822489431.db2.gz VGNBSUMXHHOCTJ-UHFFFAOYSA-N 1 1 377.492 4.422 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCOCC2CCCC2)c1 ZINC000454519562 822490063 /nfs/dbraw/zinc/49/00/63/822490063.db2.gz WQVMFKNAMOTYBS-UHFFFAOYSA-N 1 1 384.524 4.383 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000454520788 822490569 /nfs/dbraw/zinc/49/05/69/822490569.db2.gz PLVXIDBHSPYURQ-HMFYCAOWSA-N 1 1 387.568 4.061 20 0 GIADMO CC(C)Sc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000183536519 822491527 /nfs/dbraw/zinc/49/15/27/822491527.db2.gz GVDOMNHOZMRJSZ-FQEVSTJZSA-N 1 1 398.572 4.074 20 0 GIADMO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000046609380 822491783 /nfs/dbraw/zinc/49/17/83/822491783.db2.gz MKRKBQIYYHEDHY-HOTGVXAUSA-N 1 1 383.483 4.303 20 0 GIADMO CCc1sc(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000046623603 822494460 /nfs/dbraw/zinc/49/44/60/822494460.db2.gz TUNFDXGRZJJVIU-CALCHBBNSA-N 1 1 386.561 4.158 20 0 GIADMO Clc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)o2)cc1 ZINC000179516908 822495088 /nfs/dbraw/zinc/49/50/88/822495088.db2.gz MFENMIZYYFKJAA-OAHLLOKOSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)o2)cc1 ZINC000179516908 822495090 /nfs/dbraw/zinc/49/50/90/822495090.db2.gz MFENMIZYYFKJAA-OAHLLOKOSA-N 1 1 383.883 4.370 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1C ZINC000179516519 822495148 /nfs/dbraw/zinc/49/51/48/822495148.db2.gz YXBHIIGGLGYBAO-INIZCTEOSA-N 1 1 383.540 4.073 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000454550139 822495595 /nfs/dbraw/zinc/49/55/95/822495595.db2.gz MGLIVFMFTOUBSY-UHFFFAOYSA-N 1 1 388.515 4.407 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000183567200 822495726 /nfs/dbraw/zinc/49/57/26/822495726.db2.gz UARQOWZNEXEDBP-LLVKDONJSA-N 1 1 381.427 4.244 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000183567200 822495729 /nfs/dbraw/zinc/49/57/29/822495729.db2.gz UARQOWZNEXEDBP-LLVKDONJSA-N 1 1 381.427 4.244 20 0 GIADMO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(Br)s1 ZINC000179520663 822496133 /nfs/dbraw/zinc/49/61/33/822496133.db2.gz GIRVWJLSRUNVIB-SECBINFHSA-N 1 1 377.254 4.400 20 0 GIADMO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(F)c(Br)c1 ZINC000179522374 822496537 /nfs/dbraw/zinc/49/65/37/822496537.db2.gz UNVFEIKBZVZOER-SNVBAGLBSA-N 1 1 389.215 4.478 20 0 GIADMO OC[C@H]1C=C[C@@H]([NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)C1 ZINC000183585354 822497734 /nfs/dbraw/zinc/49/77/34/822497734.db2.gz XYOVCFRVSMTTHS-CRFBAAHOSA-N 1 1 376.269 4.204 20 0 GIADMO C[C@@H]([NH2+]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccc(-n2cccn2)c1 ZINC000183597500 822499156 /nfs/dbraw/zinc/49/91/56/822499156.db2.gz QAOMIOYYRLYAIL-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO CCOc1cc(/C=C/C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1O ZINC000179538776 822499757 /nfs/dbraw/zinc/49/97/57/822499757.db2.gz AKSMHGGMBQRIMQ-GXDWLZFVSA-N 1 1 391.471 4.176 20 0 GIADMO Cc1sc2nc([C@H](C)[NH2+][C@@H](C)c3cccc(-n4cccn4)c3)nc(N)c2c1C ZINC000183608937 822500581 /nfs/dbraw/zinc/50/05/81/822500581.db2.gz PDOJHGKIJVNCBP-KBPBESRZSA-N 1 1 392.532 4.488 20 0 GIADMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000454584853 822501354 /nfs/dbraw/zinc/50/13/54/822501354.db2.gz HQQHHIJGHLMGNL-GOSISDBHSA-N 1 1 385.430 4.054 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccccc1OCC(=O)N(C)C ZINC000179558963 822503487 /nfs/dbraw/zinc/50/34/87/822503487.db2.gz JOPZBBSAUVQMHK-KDOFPFPSSA-N 1 1 376.447 4.234 20 0 GIADMO O=C1CCCN1C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000179565994 822504456 /nfs/dbraw/zinc/50/44/56/822504456.db2.gz ZGVNVCPJSOSHAB-SFHVURJKSA-N 1 1 392.421 4.081 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183654429 822506465 /nfs/dbraw/zinc/50/64/65/822506465.db2.gz NACPSAJOHDWNRH-KBPBESRZSA-N 1 1 399.457 4.244 20 0 GIADMO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1-c1cccc(F)c1 ZINC000183656975 822506768 /nfs/dbraw/zinc/50/67/68/822506768.db2.gz KAHQWBSMZQCWKB-IRXDYDNUSA-N 1 1 399.514 4.094 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](CO)c2cccc(Br)c2)s1 ZINC000183666694 822508172 /nfs/dbraw/zinc/50/81/72/822508172.db2.gz PHYRBKFZAQSONL-NSHDSACASA-N 1 1 395.244 4.056 20 0 GIADMO CCOc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccc2nccn21 ZINC000179594304 822509157 /nfs/dbraw/zinc/50/91/57/822509157.db2.gz OIOBHNVKTKWCBZ-UHFFFAOYSA-N 1 1 389.503 4.022 20 0 GIADMO CN(Cc1ccccc1)c1ccccc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454630946 822509518 /nfs/dbraw/zinc/50/95/18/822509518.db2.gz XXWSFQYNXJKISE-UHFFFAOYSA-N 1 1 380.536 4.319 20 0 GIADMO O=C(NC[C@H]1CSc2ccccc21)Nc1ccccc1C[NH+]1CCSCC1 ZINC000454632036 822509546 /nfs/dbraw/zinc/50/95/46/822509546.db2.gz OUFOVASCCQBCEP-KRWDZBQOSA-N 1 1 399.585 4.246 20 0 GIADMO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(OC(F)F)cc1 ZINC000179602689 822510902 /nfs/dbraw/zinc/51/09/02/822510902.db2.gz ALFOHJFNLGLMAR-LBPRGKRZSA-N 1 1 378.810 4.373 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000046750893 822512831 /nfs/dbraw/zinc/51/28/31/822512831.db2.gz QLODCVQZYVWBQY-ZWKOTPCHSA-N 1 1 391.556 4.109 20 0 GIADMO Cc1ccc(-c2nc(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)cs2)o1 ZINC000046756547 822513764 /nfs/dbraw/zinc/51/37/64/822513764.db2.gz HDIPZMXXXAIOMG-UHFFFAOYSA-N 1 1 383.517 4.482 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000046758466 822514085 /nfs/dbraw/zinc/51/40/85/822514085.db2.gz UJYWUBBJKWQLMN-BGYRXZFFSA-N 1 1 399.579 4.049 20 0 GIADMO Cc1ccccc1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000179619610 822514149 /nfs/dbraw/zinc/51/41/49/822514149.db2.gz MXJAXDSIZBMWIA-UHFFFAOYSA-N 1 1 390.886 4.061 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)cc(Br)c1OC ZINC000183709927 822515127 /nfs/dbraw/zinc/51/51/27/822515127.db2.gz OWWKXBFORKHALN-CYBMUJFWSA-N 1 1 379.298 4.444 20 0 GIADMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183712324 822515370 /nfs/dbraw/zinc/51/53/70/822515370.db2.gz FKZVGAZXNYPSBP-ZDUSSCGKSA-N 1 1 377.282 4.198 20 0 GIADMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000179631108 822516273 /nfs/dbraw/zinc/51/62/73/822516273.db2.gz LJIDDNQTSBTPCU-UHFFFAOYSA-N 1 1 389.499 4.348 20 0 GIADMO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000179631108 822516275 /nfs/dbraw/zinc/51/62/75/822516275.db2.gz LJIDDNQTSBTPCU-UHFFFAOYSA-N 1 1 389.499 4.348 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(F)cc1F ZINC000179637005 822517270 /nfs/dbraw/zinc/51/72/70/822517270.db2.gz WRIUXGILWLENKS-INIZCTEOSA-N 1 1 390.352 4.190 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000046816349 822520708 /nfs/dbraw/zinc/52/07/08/822520708.db2.gz KPUYQBBIQGWRII-UHFFFAOYSA-N 1 1 381.451 4.251 20 0 GIADMO COc1cc(C[N@H+](C)Cc2ccncc2)cc(Br)c1OC(F)F ZINC000183748793 822521787 /nfs/dbraw/zinc/52/17/87/822521787.db2.gz NYSYUSCXCGPRST-UHFFFAOYSA-N 1 1 387.224 4.086 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccncc2)cc(Br)c1OC(F)F ZINC000183748793 822521790 /nfs/dbraw/zinc/52/17/90/822521790.db2.gz NYSYUSCXCGPRST-UHFFFAOYSA-N 1 1 387.224 4.086 20 0 GIADMO CCN(Cc1nnc(-c2cccc(Cl)c2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183754551 822522864 /nfs/dbraw/zinc/52/28/64/822522864.db2.gz CRHSPHFQPRJVRV-HXUWFJFHSA-N 1 1 396.922 4.486 20 0 GIADMO CCN1CC[NH+](CCCNC(=O)c2cc(-c3ccccc3C)ccc2Cl)CC1 ZINC000454721547 822523360 /nfs/dbraw/zinc/52/33/60/822523360.db2.gz RSYOQRXMJSLWIR-UHFFFAOYSA-N 1 1 399.966 4.073 20 0 GIADMO Cc1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(-c2ccccc2)o1 ZINC000183760175 822523660 /nfs/dbraw/zinc/52/36/60/822523660.db2.gz RUQBIJLUAOUEHI-GOSISDBHSA-N 1 1 379.460 4.200 20 0 GIADMO C[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000179670556 822523829 /nfs/dbraw/zinc/52/38/29/822523829.db2.gz RRJDBNONRSWOHR-HXOBKFHXSA-N 1 1 391.540 4.310 20 0 GIADMO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000179670556 822523831 /nfs/dbraw/zinc/52/38/31/822523831.db2.gz RRJDBNONRSWOHR-HXOBKFHXSA-N 1 1 391.540 4.310 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H](C)CC(C)(C)C3)CC2)oc1C ZINC000183769370 822525918 /nfs/dbraw/zinc/52/59/18/822525918.db2.gz YUDQHDFWNATKKV-KXBFYZLASA-N 1 1 375.557 4.082 20 0 GIADMO COc1cc(O)c(C[N@H+](C)[C@H](C)c2ccccc2Br)cc1OC ZINC000179682488 822526589 /nfs/dbraw/zinc/52/65/89/822526589.db2.gz AQMHYYLEBSNCKW-GFCCVEGCSA-N 1 1 380.282 4.365 20 0 GIADMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2ccccc2Br)cc1OC ZINC000179682488 822526590 /nfs/dbraw/zinc/52/65/90/822526590.db2.gz AQMHYYLEBSNCKW-GFCCVEGCSA-N 1 1 380.282 4.365 20 0 GIADMO COc1c(C)c[nH+]c(CN(C)Cc2nc3cc(C(F)(F)F)ccc3n2C)c1C ZINC000183782125 822527538 /nfs/dbraw/zinc/52/75/38/822527538.db2.gz MMYICENHMNNEGR-UHFFFAOYSA-N 1 1 392.425 4.245 20 0 GIADMO COc1c(C)c[nH+]c(CN(C)Cc2ccccc2OCc2ccccn2)c1C ZINC000183780403 822527551 /nfs/dbraw/zinc/52/75/51/822527551.db2.gz HUVHTGVOEOXEAR-UHFFFAOYSA-N 1 1 377.488 4.313 20 0 GIADMO OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cncc(Br)c1 ZINC000179687226 822527590 /nfs/dbraw/zinc/52/75/90/822527590.db2.gz GGWRTYCLSVORMD-UHFFFAOYSA-N 1 1 390.108 4.145 20 0 GIADMO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cncc(Br)c1 ZINC000179687226 822527592 /nfs/dbraw/zinc/52/75/92/822527592.db2.gz GGWRTYCLSVORMD-UHFFFAOYSA-N 1 1 390.108 4.145 20 0 GIADMO C[C@@H](CNC(=O)N(C)Cc1ccc(Cl)s1)[N@@H+]1CCc2sccc2C1 ZINC000046908101 822529099 /nfs/dbraw/zinc/52/90/99/822529099.db2.gz OFCJZBVYFHTMJG-LBPRGKRZSA-N 1 1 383.970 4.051 20 0 GIADMO C[C@@H](CNC(=O)N(C)Cc1ccc(Cl)s1)[N@H+]1CCc2sccc2C1 ZINC000046908101 822529103 /nfs/dbraw/zinc/52/91/03/822529103.db2.gz OFCJZBVYFHTMJG-LBPRGKRZSA-N 1 1 383.970 4.051 20 0 GIADMO C[C@H](NC(=O)NC[C@H]1CCCCC1(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454760668 822529363 /nfs/dbraw/zinc/52/93/63/822529363.db2.gz DBIUZNQEQGWHGU-QXAKKESOSA-N 1 1 379.495 4.022 20 0 GIADMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000183801172 822529686 /nfs/dbraw/zinc/52/96/86/822529686.db2.gz SKDQFDXKLWBXRO-INFVRCAFSA-N 1 1 395.459 4.030 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc1)[NH+]1CCOCC1 ZINC000454763342 822529795 /nfs/dbraw/zinc/52/97/95/822529795.db2.gz DZOSBPYKYDVSHX-UWJYYQICSA-N 1 1 395.503 4.432 20 0 GIADMO CCC[N@H+](CCc1cccs1)Cn1ncn(CCc2ccccn2)c1=S ZINC000183811518 822530801 /nfs/dbraw/zinc/53/08/01/822530801.db2.gz AQDPYLVXGUGRCX-UHFFFAOYSA-N 1 1 387.578 4.025 20 0 GIADMO CCC[N@@H+](CCc1cccs1)Cn1ncn(CCc2ccccn2)c1=S ZINC000183811518 822530806 /nfs/dbraw/zinc/53/08/06/822530806.db2.gz AQDPYLVXGUGRCX-UHFFFAOYSA-N 1 1 387.578 4.025 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2CC(c3cccc(Cl)c3)C2)cc1)[NH+]1CCOCC1 ZINC000454775528 822531398 /nfs/dbraw/zinc/53/13/98/822531398.db2.gz QJGPKMXOMMPFPH-INIZCTEOSA-N 1 1 399.922 4.365 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2CC(c3cccc(Cl)c3)C2)cc1)[NH+]1CCOCC1 ZINC000454775530 822531466 /nfs/dbraw/zinc/53/14/66/822531466.db2.gz QJGPKMXOMMPFPH-MRXNPFEDSA-N 1 1 399.922 4.365 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454777950 822532183 /nfs/dbraw/zinc/53/21/83/822532183.db2.gz VEJCZFUGIBWNNP-CAMMJAKZSA-N 1 1 397.485 4.269 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000046934677 822532640 /nfs/dbraw/zinc/53/26/40/822532640.db2.gz CVECSELHJJPAOJ-CBZJRKILSA-N 1 1 384.545 4.049 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000179722012 822535145 /nfs/dbraw/zinc/53/51/45/822535145.db2.gz KJILUXGUZHEKNP-GFCCVEGCSA-N 1 1 385.817 4.004 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nnc4n2CCCC4)CCC3)cc1 ZINC000183848584 822535455 /nfs/dbraw/zinc/53/54/55/822535455.db2.gz OBCBSZXHDIDKNX-MRXNPFEDSA-N 1 1 379.533 4.214 20 0 GIADMO C[C@H](c1ccc(NC(=O)NCc2ccc(C(F)F)cc2)cc1)[NH+]1CCOCC1 ZINC000183848327 822535492 /nfs/dbraw/zinc/53/54/92/822535492.db2.gz ZTUZCIISDRENHP-OAHLLOKOSA-N 1 1 389.446 4.339 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000046991733 822536294 /nfs/dbraw/zinc/53/62/94/822536294.db2.gz YZBNAYMVCTYSRS-HNNXBMFYSA-N 1 1 393.597 4.283 20 0 GIADMO Cc1ccc([C@@H](O)CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000047007790 822537351 /nfs/dbraw/zinc/53/73/51/822537351.db2.gz NDRGXCMAVZOAME-NRFANRHFSA-N 1 1 392.503 4.218 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[C@H]1c1ccsc1)[N@@H+]1CCc2sccc2C1 ZINC000047010501 822537373 /nfs/dbraw/zinc/53/73/73/822537373.db2.gz XMFGXZYXCLBMLZ-YOEHRIQHSA-N 1 1 375.563 4.103 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[C@H]1c1ccsc1)[N@H+]1CCc2sccc2C1 ZINC000047010501 822537375 /nfs/dbraw/zinc/53/73/75/822537375.db2.gz XMFGXZYXCLBMLZ-YOEHRIQHSA-N 1 1 375.563 4.103 20 0 GIADMO OCCC[C@H]([NH2+]Cc1csc(COc2ccc(F)cc2)n1)c1ccccc1 ZINC000179734925 822538506 /nfs/dbraw/zinc/53/85/06/822538506.db2.gz YEPZCSWEKYISOI-FQEVSTJZSA-N 1 1 386.492 4.465 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000047039189 822539067 /nfs/dbraw/zinc/53/90/67/822539067.db2.gz XVRMEWKJTIYYLZ-BGYRXZFFSA-N 1 1 397.563 4.457 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000179740301 822540131 /nfs/dbraw/zinc/54/01/31/822540131.db2.gz PLVLOKUUMGPLQR-ZDUSSCGKSA-N 1 1 379.551 4.218 20 0 GIADMO CC(=O)Nc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1C ZINC000047047602 822540173 /nfs/dbraw/zinc/54/01/73/822540173.db2.gz GFLPGKSJWDMBQT-OAQYLSRUSA-N 1 1 399.922 4.174 20 0 GIADMO Cc1ccccc1[C@@H](C[NH+]1CCOCC1)Nc1cccc(NC(=O)C(C)C)c1 ZINC000183882550 822540276 /nfs/dbraw/zinc/54/02/76/822540276.db2.gz FCQQLAAURKELRM-JOCHJYFZSA-N 1 1 381.520 4.075 20 0 GIADMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000179744998 822541367 /nfs/dbraw/zinc/54/13/67/822541367.db2.gz JIYVPLMSKAPYEQ-HNNXBMFYSA-N 1 1 383.517 4.113 20 0 GIADMO CC(F)(F)CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000454827528 822541741 /nfs/dbraw/zinc/54/17/41/822541741.db2.gz WSKDMGLIVDBKGF-UHFFFAOYSA-N 1 1 394.293 4.302 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000179754515 822543636 /nfs/dbraw/zinc/54/36/36/822543636.db2.gz PRYMBDSUXZZDDE-UHFFFAOYSA-N 1 1 395.478 4.201 20 0 GIADMO O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000183903773 822543655 /nfs/dbraw/zinc/54/36/55/822543655.db2.gz MTVCFFINCSFEMG-UHFFFAOYSA-N 1 1 391.487 4.179 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000179756782 822544189 /nfs/dbraw/zinc/54/41/89/822544189.db2.gz PXNRTQNZMFLECE-IBGZPJMESA-N 1 1 396.531 4.320 20 0 GIADMO COc1ccc(-c2cnc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)o2)cc1 ZINC000179760999 822545509 /nfs/dbraw/zinc/54/55/09/822545509.db2.gz ZVMHSKGMZIWOLE-HSZRJFAPSA-N 1 1 392.455 4.362 20 0 GIADMO Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000047127822 822546375 /nfs/dbraw/zinc/54/63/75/822546375.db2.gz OPRZIPAYILURTQ-QZTJIDSGSA-N 1 1 381.520 4.234 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000454854156 822546454 /nfs/dbraw/zinc/54/64/54/822546454.db2.gz LRDUJINEYRDZRX-SNVBAGLBSA-N 1 1 381.851 4.068 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+](C)C[C@@H](C)c3nccs3)cs2)cc1 ZINC000183922203 822547273 /nfs/dbraw/zinc/54/72/73/822547273.db2.gz QMNREBARYBNUDZ-CYBMUJFWSA-N 1 1 387.530 4.289 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)C[C@@H](C)c3nccs3)cs2)cc1 ZINC000183922203 822547275 /nfs/dbraw/zinc/54/72/75/822547275.db2.gz QMNREBARYBNUDZ-CYBMUJFWSA-N 1 1 387.530 4.289 20 0 GIADMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 ZINC000179766252 822547655 /nfs/dbraw/zinc/54/76/55/822547655.db2.gz VPKCXMYPHFOWGE-UHFFFAOYSA-N 1 1 388.558 4.035 20 0 GIADMO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(-c2ccccc2)no1 ZINC000179767331 822547981 /nfs/dbraw/zinc/54/79/81/822547981.db2.gz YYHZPISCZXTKOL-VLIAUNLRSA-N 1 1 377.444 4.310 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)s1 ZINC000183931063 822549248 /nfs/dbraw/zinc/54/92/48/822549248.db2.gz MWQSROPYKCFEIF-OAHLLOKOSA-N 1 1 397.548 4.106 20 0 GIADMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1cc(F)ccc1F ZINC000179778535 822551030 /nfs/dbraw/zinc/55/10/30/822551030.db2.gz HFPOIPSOACPQIJ-PXAZEXFGSA-N 1 1 378.419 4.050 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000047174276 822551129 /nfs/dbraw/zinc/55/11/29/822551129.db2.gz DUPFIMCDQCWBNA-UHFFFAOYSA-N 1 1 397.438 4.080 20 0 GIADMO C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000183947820 822552017 /nfs/dbraw/zinc/55/20/17/822552017.db2.gz IKAZVTVCJYHAPH-NEPJUHHUSA-N 1 1 387.427 4.104 20 0 GIADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000183947820 822552021 /nfs/dbraw/zinc/55/20/21/822552021.db2.gz IKAZVTVCJYHAPH-NEPJUHHUSA-N 1 1 387.427 4.104 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)NCC2(c3ccc(F)cc3)CCCC2)s1 ZINC000183947036 822552063 /nfs/dbraw/zinc/55/20/63/822552063.db2.gz AUWNTNADMJPZKD-UHFFFAOYSA-N 1 1 389.540 4.044 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1cc(F)ccc1F ZINC000179782951 822552145 /nfs/dbraw/zinc/55/21/45/822552145.db2.gz BLJIMIBCPMCVJG-OAHLLOKOSA-N 1 1 398.837 4.315 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000047187896 822552492 /nfs/dbraw/zinc/55/24/92/822552492.db2.gz YBUQEQSWSUFNQI-KRWDZBQOSA-N 1 1 389.540 4.276 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000183957145 822553785 /nfs/dbraw/zinc/55/37/85/822553785.db2.gz MXOKOMCSUSJSKZ-UHFFFAOYSA-N 1 1 394.519 4.412 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC000047214979 822554931 /nfs/dbraw/zinc/55/49/31/822554931.db2.gz VYPBZWRGWYIULX-IBGZPJMESA-N 1 1 393.531 4.181 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)C[C@H](C)c3nccs3)c2)cs1 ZINC000183975057 822556586 /nfs/dbraw/zinc/55/65/86/822556586.db2.gz URFDPMVHACYJEZ-ZDUSSCGKSA-N 1 1 386.546 4.249 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)C[N@H+](C)C[C@H](C)c3nccs3)c2)cs1 ZINC000183975057 822556589 /nfs/dbraw/zinc/55/65/89/822556589.db2.gz URFDPMVHACYJEZ-ZDUSSCGKSA-N 1 1 386.546 4.249 20 0 GIADMO C[C@H](F)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000454919233 822556730 /nfs/dbraw/zinc/55/67/30/822556730.db2.gz GFMMZADGNOYESE-YQCLPMHJSA-N 1 1 381.923 4.301 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCC1(F)F ZINC000454920549 822557093 /nfs/dbraw/zinc/55/70/93/822557093.db2.gz KUPLTTWDODHRRY-ROUUACIJSA-N 1 1 379.495 4.022 20 0 GIADMO Cc1csc2nc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3F)cc(=O)n12 ZINC000179813800 822558315 /nfs/dbraw/zinc/55/83/15/822558315.db2.gz MEDRMIGULCWAKE-HXUWFJFHSA-N 1 1 393.487 4.277 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C(=O)N(C)C)c4ccccc4)CC3)c2c1 ZINC000047257372 822559008 /nfs/dbraw/zinc/55/90/08/822559008.db2.gz KWUQSZACZFVBDI-HSZRJFAPSA-N 1 1 389.499 4.095 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)n1 ZINC000047260954 822559653 /nfs/dbraw/zinc/55/96/53/822559653.db2.gz SMCIKCSWYSCLJF-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)n1 ZINC000047260954 822559655 /nfs/dbraw/zinc/55/96/55/822559655.db2.gz SMCIKCSWYSCLJF-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1 ZINC000184006040 822562478 /nfs/dbraw/zinc/56/24/78/822562478.db2.gz QOSZUCJPUAKBMJ-SNVBAGLBSA-N 1 1 391.846 4.489 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1 ZINC000184006040 822562480 /nfs/dbraw/zinc/56/24/80/822562480.db2.gz QOSZUCJPUAKBMJ-SNVBAGLBSA-N 1 1 391.846 4.489 20 0 GIADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000184017691 822564961 /nfs/dbraw/zinc/56/49/61/822564961.db2.gz HUKJJZSAPVLCJB-ROUUACIJSA-N 1 1 393.556 4.473 20 0 GIADMO O=C(NC[C@@H]1CCCC1(F)F)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000454991249 822566991 /nfs/dbraw/zinc/56/69/91/822566991.db2.gz ZNQWURSHQYHVNX-MOPGFXCFSA-N 1 1 379.495 4.023 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1COc2ccccc2O1)C1CCCCC1 ZINC000047339235 822568650 /nfs/dbraw/zinc/56/86/50/822568650.db2.gz PAYPIQXVMHLXAQ-QFIPXVFZSA-N 1 1 380.488 4.230 20 0 GIADMO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000455011015 822570195 /nfs/dbraw/zinc/57/01/95/822570195.db2.gz OBCYGGNEXRWXPB-GOSISDBHSA-N 1 1 394.563 4.355 20 0 GIADMO Cc1ccnc(Oc2cc(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)ccc2C)c1 ZINC000179881767 822571040 /nfs/dbraw/zinc/57/10/40/822571040.db2.gz BSWPSWOUIAVOCK-PKOBYXMFSA-N 1 1 380.492 4.191 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cn1 ZINC000047385645 822573384 /nfs/dbraw/zinc/57/33/84/822573384.db2.gz GUMFHBHFTKDVMI-UHFFFAOYSA-N 1 1 378.379 4.440 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184070789 822574070 /nfs/dbraw/zinc/57/40/70/822574070.db2.gz ZINCATWNYYSPHD-HNNXBMFYSA-N 1 1 376.884 4.185 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccnc3C(F)(F)F)cc2)C1 ZINC000179911291 822575441 /nfs/dbraw/zinc/57/54/41/822575441.db2.gz NCFBZYCWPBDTGK-HNNXBMFYSA-N 1 1 391.437 4.262 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000179919149 822577095 /nfs/dbraw/zinc/57/70/95/822577095.db2.gz SATKORMFXHUNLI-HOTGVXAUSA-N 1 1 385.483 4.112 20 0 GIADMO Cc1nc([C@@H](C)[N@H+]2CCOCC3(CCOCC3)C2)oc1-c1ccc(Cl)cc1 ZINC000184096872 822577360 /nfs/dbraw/zinc/57/73/60/822577360.db2.gz LDXOHWVLDDKPFY-MRXNPFEDSA-N 1 1 390.911 4.493 20 0 GIADMO O=C(Nc1ccncc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000184124361 822582326 /nfs/dbraw/zinc/58/23/26/822582326.db2.gz YVTYGWQOOWIVAY-UHFFFAOYSA-N 1 1 390.462 4.160 20 0 GIADMO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@@H+](CC)C[C@H]2CC)c1 ZINC000455065710 822583511 /nfs/dbraw/zinc/58/35/11/822583511.db2.gz ZQOCSASXUFAYIT-OAHLLOKOSA-N 1 1 380.920 4.027 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCc2c(F)cc(F)cc2F)[C@H]1c1cccs1 ZINC000455075436 822585636 /nfs/dbraw/zinc/58/56/36/822585636.db2.gz FEQIIHYGOIXNHC-XIKOKIGWSA-N 1 1 397.466 4.048 20 0 GIADMO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000184149076 822585970 /nfs/dbraw/zinc/58/59/70/822585970.db2.gz PBSZWFDMJZXUDN-RYUDHWBXSA-N 1 1 382.327 4.200 20 0 GIADMO CC(C)(C)OC(=O)N1CCC([C@@H]([NH2+]Cc2cc[nH]n2)c2ccc(F)cc2)CC1 ZINC000184156358 822587430 /nfs/dbraw/zinc/58/74/30/822587430.db2.gz NERMZJLDBPURII-IBGZPJMESA-N 1 1 388.487 4.027 20 0 GIADMO COc1cccc([C@@H](CN[C@H](C)c2nc3ccc(Cl)cc3n2C)[NH+](C)C)c1 ZINC000179968572 822587502 /nfs/dbraw/zinc/58/75/02/822587502.db2.gz IUKQYHKTPSTRDZ-JLTOFOAXSA-N 1 1 386.927 4.189 20 0 GIADMO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000184170739 822590026 /nfs/dbraw/zinc/59/00/26/822590026.db2.gz NUFOQHPHEDPEQM-APWZRJJASA-N 1 1 387.549 4.255 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000179982776 822590265 /nfs/dbraw/zinc/59/02/65/822590265.db2.gz YEFPWGMOARWXAS-KKSFZXQISA-N 1 1 386.490 4.283 20 0 GIADMO CN(C(=O)C[NH2+]C1(c2ccc(F)cc2F)CCC1)c1nc2ccccc2s1 ZINC000179983003 822590539 /nfs/dbraw/zinc/59/05/39/822590539.db2.gz QVUADSDHHCRFDI-UHFFFAOYSA-N 1 1 387.455 4.206 20 0 GIADMO Cc1ccc(C)c(NC(=S)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000047567394 822591434 /nfs/dbraw/zinc/59/14/34/822591434.db2.gz WRXHBIXWPZVOGN-KDURUIRLSA-N 1 1 397.588 4.399 20 0 GIADMO CC(F)(F)CCNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000455119476 822591707 /nfs/dbraw/zinc/59/17/07/822591707.db2.gz QSMWLKXKVOPYAL-KRWDZBQOSA-N 1 1 393.503 4.192 20 0 GIADMO CC(F)(F)CCNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000455119476 822591709 /nfs/dbraw/zinc/59/17/09/822591709.db2.gz QSMWLKXKVOPYAL-KRWDZBQOSA-N 1 1 393.503 4.192 20 0 GIADMO O=C1CCCN1CCC[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000180007214 822594749 /nfs/dbraw/zinc/59/47/49/822594749.db2.gz HKJKWJAXBIEJII-FQEVSTJZSA-N 1 1 378.850 4.310 20 0 GIADMO Cn1cc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c(-c2ccncc2)n1 ZINC000180032206 822601260 /nfs/dbraw/zinc/60/12/60/822601260.db2.gz IDIWINLTQBRMLA-UHFFFAOYSA-N 1 1 397.320 4.409 20 0 GIADMO CC(C)Oc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000047715553 822603102 /nfs/dbraw/zinc/60/31/02/822603102.db2.gz FVOSCSGDMWJDJE-UHFFFAOYSA-N 1 1 388.458 4.146 20 0 GIADMO O=C(CCc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715558 822603108 /nfs/dbraw/zinc/60/31/08/822603108.db2.gz CPULTMXZPBIJPU-UHFFFAOYSA-N 1 1 392.877 4.332 20 0 GIADMO COc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1OC(F)F ZINC000180048432 822604140 /nfs/dbraw/zinc/60/41/40/822604140.db2.gz KKQAJQAISYQWNU-LJQANCHMSA-N 1 1 391.393 4.048 20 0 GIADMO C[C@@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1nccs1 ZINC000184262123 822605150 /nfs/dbraw/zinc/60/51/50/822605150.db2.gz NUDAIZQYHPYVHO-SFHVURJKSA-N 1 1 379.529 4.065 20 0 GIADMO CC(C)Cn1ncc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C1CC1 ZINC000180057474 822605805 /nfs/dbraw/zinc/60/58/05/822605805.db2.gz VIVRNYQXELONFL-LJQANCHMSA-N 1 1 388.943 4.103 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3nc(C4CC4)cs3)CC[N@H+]2C2CC2)c1 ZINC000180067707 822608304 /nfs/dbraw/zinc/60/83/04/822608304.db2.gz YDJVISACHYNBDU-HKUYNNGSSA-N 1 1 398.532 4.129 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3OC3CCCC3)C2)C1 ZINC000455207654 822608791 /nfs/dbraw/zinc/60/87/91/822608791.db2.gz QWUJEOLAAXJLMG-HXUWFJFHSA-N 1 1 377.916 4.221 20 0 GIADMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797853 822609686 /nfs/dbraw/zinc/60/96/86/822609686.db2.gz ZTVAFCDPHCPJET-BZUAXINKSA-N 1 1 392.490 4.038 20 0 GIADMO CCOc1cc(Br)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000180091045 822613530 /nfs/dbraw/zinc/61/35/30/822613530.db2.gz WBTBNHQBHMVUID-UONOGXRCSA-N 1 1 383.330 4.285 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ncc(C(F)(F)F)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455234624 822614368 /nfs/dbraw/zinc/61/43/68/822614368.db2.gz AYZXAZQPFXOPGM-ZDUSSCGKSA-N 1 1 398.454 4.148 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000180099532 822615081 /nfs/dbraw/zinc/61/50/81/822615081.db2.gz JSYCPQPJASVEIC-GOTSBHOMSA-N 1 1 399.494 4.114 20 0 GIADMO CC(=O)Nc1ccccc1C[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000184329865 822616315 /nfs/dbraw/zinc/61/63/15/822616315.db2.gz CLAWOPBXUBVWLI-UHFFFAOYSA-N 1 1 377.257 4.105 20 0 GIADMO CC(=O)Nc1ccccc1C[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000184329865 822616319 /nfs/dbraw/zinc/61/63/19/822616319.db2.gz CLAWOPBXUBVWLI-UHFFFAOYSA-N 1 1 377.257 4.105 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2nc(-c3ccccc3Cl)ns2)[C@H](C)C1 ZINC000184360334 822622018 /nfs/dbraw/zinc/62/20/18/822622018.db2.gz RHDIDBLXYZYIHF-IUODEOHRSA-N 1 1 393.944 4.053 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1nc(C)cs1 ZINC000184362159 822622501 /nfs/dbraw/zinc/62/25/01/822622501.db2.gz FMGBCUWQKDKEIR-SWLSCSKDSA-N 1 1 396.354 4.132 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1nc(C)cs1 ZINC000184368307 822623070 /nfs/dbraw/zinc/62/30/70/822623070.db2.gz IXVXJKSYUOHGLG-HNNXBMFYSA-N 1 1 386.348 4.458 20 0 GIADMO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cccc1N(C)C ZINC000180134476 822623218 /nfs/dbraw/zinc/62/32/18/822623218.db2.gz BSOFRSMFCOTIFE-KRWDZBQOSA-N 1 1 386.565 4.156 20 0 GIADMO C=Cc1ccc(C(=O)N(C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000184374799 822624362 /nfs/dbraw/zinc/62/43/62/822624362.db2.gz KJBGOXUKWPYNHS-UHFFFAOYSA-N 1 1 393.531 4.087 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cs2)o1 ZINC000048047714 822626603 /nfs/dbraw/zinc/62/66/03/822626603.db2.gz DIDMNFCYXNUNSV-HNNXBMFYSA-N 1 1 387.549 4.182 20 0 GIADMO COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1C ZINC000180148506 822626931 /nfs/dbraw/zinc/62/69/31/822626931.db2.gz BEVVDCOUTQBDQV-LJQANCHMSA-N 1 1 375.900 4.054 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000048059804 822628088 /nfs/dbraw/zinc/62/80/88/822628088.db2.gz CXXYQEGPTWWHOY-UHFFFAOYSA-N 1 1 395.551 4.334 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cccc(N(C)C)c2C)cc1 ZINC000180154596 822628400 /nfs/dbraw/zinc/62/84/00/822628400.db2.gz XDWDOMJHBGNAGC-INIZCTEOSA-N 1 1 377.492 4.438 20 0 GIADMO Cn1cc([C@@H](NC2CC[NH+](Cc3ccc(F)cc3)CC2)c2cccc(F)c2)cn1 ZINC000180165932 822630795 /nfs/dbraw/zinc/63/07/95/822630795.db2.gz IRBMAJNNZWAJIB-QHCPKHFHSA-N 1 1 396.485 4.042 20 0 GIADMO Cc1csc(-c2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2)n1 ZINC000180166347 822630823 /nfs/dbraw/zinc/63/08/23/822630823.db2.gz CMXLPBPGKWXWJA-VQTJNVASSA-N 1 1 377.513 4.294 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N(C)C)c1C ZINC000180166863 822631059 /nfs/dbraw/zinc/63/10/59/822631059.db2.gz HHRREABDBNIHLM-NRFANRHFSA-N 1 1 394.563 4.437 20 0 GIADMO Cc1nc(-c2ccccc2NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cs1 ZINC000455316711 822633437 /nfs/dbraw/zinc/63/34/37/822633437.db2.gz DNKHOWNWQUHAEZ-HNNXBMFYSA-N 1 1 384.549 4.457 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)c1nc(C)cs1 ZINC000184434493 822634452 /nfs/dbraw/zinc/63/44/52/822634452.db2.gz MERXUYFGGXYQEZ-CQSZACIVSA-N 1 1 382.327 4.202 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2cc(F)cc(Br)c2)c2cccc(F)c2)cn1 ZINC000180184775 822634782 /nfs/dbraw/zinc/63/47/82/822634782.db2.gz DKUQXIIXWYJJES-SFHVURJKSA-N 1 1 392.247 4.340 20 0 GIADMO Cc1ccc(-c2cccnc2)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000455328115 822635182 /nfs/dbraw/zinc/63/51/82/822635182.db2.gz QQXURGMXOHXICI-KRWDZBQOSA-N 1 1 378.520 4.395 20 0 GIADMO CN(Cc1cn(C)nc1-c1cccs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180197420 822637498 /nfs/dbraw/zinc/63/74/98/822637498.db2.gz YSMRLOAPZCHQFE-IBGZPJMESA-N 1 1 380.561 4.103 20 0 GIADMO Cn1cc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197420 822637506 /nfs/dbraw/zinc/63/75/06/822637506.db2.gz YSMRLOAPZCHQFE-IBGZPJMESA-N 1 1 380.561 4.103 20 0 GIADMO Cn1cc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000180197420 822637508 /nfs/dbraw/zinc/63/75/08/822637508.db2.gz YSMRLOAPZCHQFE-IBGZPJMESA-N 1 1 380.561 4.103 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000184457685 822638751 /nfs/dbraw/zinc/63/87/51/822638751.db2.gz OWCDQEKNAHABSY-GJZGRUSLSA-N 1 1 398.576 4.320 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184458554 822638925 /nfs/dbraw/zinc/63/89/25/822638925.db2.gz AHXGIXKAEHXSPV-JKSUJKDBSA-N 1 1 380.916 4.029 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184458554 822638927 /nfs/dbraw/zinc/63/89/27/822638927.db2.gz AHXGIXKAEHXSPV-JKSUJKDBSA-N 1 1 380.916 4.029 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000184462403 822639868 /nfs/dbraw/zinc/63/98/68/822639868.db2.gz LBAAHVIJHIKZHF-IBGZPJMESA-N 1 1 387.474 4.288 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000048152889 822640603 /nfs/dbraw/zinc/64/06/03/822640603.db2.gz NTUJHECEJAMJOV-QGZVFWFLSA-N 1 1 399.535 4.104 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCc1ccccc1Cl ZINC000184472747 822642042 /nfs/dbraw/zinc/64/20/42/822642042.db2.gz CUSXTEUYTCCAGY-STQMWFEESA-N 1 1 379.957 4.450 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184479833 822642946 /nfs/dbraw/zinc/64/29/46/822642946.db2.gz IOLLQKCHNWBJQG-HZPDHXFCSA-N 1 1 380.916 4.029 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184479833 822642947 /nfs/dbraw/zinc/64/29/47/822642947.db2.gz IOLLQKCHNWBJQG-HZPDHXFCSA-N 1 1 380.916 4.029 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184479846 822642977 /nfs/dbraw/zinc/64/29/77/822642977.db2.gz IOLLQKCHNWBJQG-JKSUJKDBSA-N 1 1 380.916 4.029 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184479846 822642979 /nfs/dbraw/zinc/64/29/79/822642979.db2.gz IOLLQKCHNWBJQG-JKSUJKDBSA-N 1 1 380.916 4.029 20 0 GIADMO CCCc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[nH]c(C)c1C(C)=O ZINC000048185636 822643313 /nfs/dbraw/zinc/64/33/13/822643313.db2.gz IBFKEFYTPVUUTM-KRWDZBQOSA-N 1 1 387.549 4.107 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3coc4cc(C)c(C)cc34)CC2)oc1C ZINC000184489470 822644710 /nfs/dbraw/zinc/64/47/10/822644710.db2.gz UKJCJEPFMLJQDE-UHFFFAOYSA-N 1 1 395.503 4.296 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC000048237334 822647227 /nfs/dbraw/zinc/64/72/27/822647227.db2.gz ILGJDPHEUCMVQS-MRXNPFEDSA-N 1 1 389.540 4.120 20 0 GIADMO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc3c(s2)CCCC3)c2ccc(F)cc2C1 ZINC000184510256 822647890 /nfs/dbraw/zinc/64/78/90/822647890.db2.gz DJTCIXCFSMZCBP-UGSOOPFHSA-N 1 1 387.524 4.305 20 0 GIADMO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](CCO)c3ccco3)cc2)c1 ZINC000184516448 822649085 /nfs/dbraw/zinc/64/90/85/822649085.db2.gz POZBXSNJMDICCE-OAQYLSRUSA-N 1 1 383.444 4.302 20 0 GIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3(C4CCC4)CCC3)CC2)c1C ZINC000455413539 822649165 /nfs/dbraw/zinc/64/91/65/822649165.db2.gz DHYAZBNRCWNTIQ-UHFFFAOYSA-N 1 1 399.579 4.100 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048267783 822649849 /nfs/dbraw/zinc/64/98/49/822649849.db2.gz SBAZMOHLCIGYMC-GASCZTMLSA-N 1 1 393.597 4.139 20 0 GIADMO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184533814 822652560 /nfs/dbraw/zinc/65/25/60/822652560.db2.gz KQWXMPFHTTZXMH-KRWDZBQOSA-N 1 1 379.529 4.428 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(COc4ccc(F)cc4)c3)C2)C1 ZINC000455432137 822652700 /nfs/dbraw/zinc/65/27/00/822652700.db2.gz DVTQIVZSPBRWQJ-HSZRJFAPSA-N 1 1 397.494 4.354 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048359487 822655842 /nfs/dbraw/zinc/65/58/42/822655842.db2.gz PAYLTPBXTDKLJX-CALCHBBNSA-N 1 1 391.515 4.016 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048359487 822655843 /nfs/dbraw/zinc/65/58/43/822655843.db2.gz PAYLTPBXTDKLJX-CALCHBBNSA-N 1 1 391.515 4.016 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000048371293 822657101 /nfs/dbraw/zinc/65/71/01/822657101.db2.gz JAKMAWKHSIBHAM-SFHVURJKSA-N 1 1 394.519 4.243 20 0 GIADMO CN(C)C(=O)Sc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000184588282 822662166 /nfs/dbraw/zinc/66/21/66/822662166.db2.gz ZARQRUOLIDSEKZ-FQEVSTJZSA-N 1 1 398.507 4.212 20 0 GIADMO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455483508 822663210 /nfs/dbraw/zinc/66/32/10/822663210.db2.gz YEHXFBQEGDKJFV-JZIBPQBNSA-N 1 1 382.335 4.247 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(Br)s2)c2ccc(F)cc2)cn1 ZINC000184601429 822664117 /nfs/dbraw/zinc/66/41/17/822664117.db2.gz DHGHMSRFTMZJNH-INIZCTEOSA-N 1 1 380.286 4.262 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ncn(C3CCCCC3)n2)cc1 ZINC000184609258 822665281 /nfs/dbraw/zinc/66/52/81/822665281.db2.gz FMEKLACVBXTPHR-HNNXBMFYSA-N 1 1 393.495 4.160 20 0 GIADMO C[N@@H+]1CCN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)[C@@H](c2ccccc2)C1 ZINC000184623637 822667175 /nfs/dbraw/zinc/66/71/75/822667175.db2.gz BSMMOKDRBWLJCC-HXUWFJFHSA-N 1 1 395.503 4.007 20 0 GIADMO C[N@H+]1CCN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)[C@@H](c2ccccc2)C1 ZINC000184623637 822667176 /nfs/dbraw/zinc/66/71/76/822667176.db2.gz BSMMOKDRBWLJCC-HXUWFJFHSA-N 1 1 395.503 4.007 20 0 GIADMO COc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000048550244 822671796 /nfs/dbraw/zinc/67/17/96/822671796.db2.gz JMINHPSHRHQKDM-UHFFFAOYSA-N 1 1 393.409 4.064 20 0 GIADMO CN(C)C(=O)Cc1nc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)cs1 ZINC000180383276 822673250 /nfs/dbraw/zinc/67/32/50/822673250.db2.gz YMMLEZLXFLLZSH-NRFANRHFSA-N 1 1 393.556 4.238 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(OC(F)F)cn2)CC1)CC1CC1 ZINC000455566481 822675756 /nfs/dbraw/zinc/67/57/56/822675756.db2.gz XYABFHHCMRQHTR-UHFFFAOYSA-N 1 1 396.482 4.049 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(F)cc(F)c1F ZINC000455568112 822675904 /nfs/dbraw/zinc/67/59/04/822675904.db2.gz QBKBHTSUWQTSBG-DYVFJYSZSA-N 1 1 377.410 4.136 20 0 GIADMO CN(C)c1c(Cl)cccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000048739687 822680541 /nfs/dbraw/zinc/68/05/41/822680541.db2.gz IAMPPYDVNKCJBW-UHFFFAOYSA-N 1 1 386.927 4.146 20 0 GIADMO CC[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccccc1OCC(=O)NC ZINC000048750084 822681185 /nfs/dbraw/zinc/68/11/85/822681185.db2.gz YMSGONNBZJOXND-MRXNPFEDSA-N 1 1 381.303 4.359 20 0 GIADMO C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000180438315 822682126 /nfs/dbraw/zinc/68/21/26/822682126.db2.gz KRZYBTZPJKUZCT-VGOFRKELSA-N 1 1 389.946 4.042 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(F)F)C1 ZINC000455607943 822683686 /nfs/dbraw/zinc/68/36/86/822683686.db2.gz XIGJLGRPHYEITI-AOIWGVFYSA-N 1 1 379.495 4.289 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N[C@@H](c2ccccc2)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000455610243 822684084 /nfs/dbraw/zinc/68/40/84/822684084.db2.gz BFSIJFGBMQPLBC-AHRSYUTCSA-N 1 1 387.474 4.345 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C3CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000455621179 822685524 /nfs/dbraw/zinc/68/55/24/822685524.db2.gz QJUNFDMYNUXGNW-FXAWDEMLSA-N 1 1 378.520 4.476 20 0 GIADMO CCCOc1c(Cl)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1OCC ZINC000180457856 822685939 /nfs/dbraw/zinc/68/59/39/822685939.db2.gz HDFBNVMDMNNEAL-FUHWJXTLSA-N 1 1 385.957 4.234 20 0 GIADMO CCCOc1c(Cl)cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1OCC ZINC000180457856 822685940 /nfs/dbraw/zinc/68/59/40/822685940.db2.gz HDFBNVMDMNNEAL-FUHWJXTLSA-N 1 1 385.957 4.234 20 0 GIADMO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 ZINC000180461186 822686297 /nfs/dbraw/zinc/68/62/97/822686297.db2.gz KYNASWNYCXTMLD-KRWDZBQOSA-N 1 1 397.360 4.411 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cc2noc3ccccc23)C1 ZINC000048885807 822687815 /nfs/dbraw/zinc/68/78/15/822687815.db2.gz IRDJGTCVPTUHMM-HDICACEKSA-N 1 1 391.515 4.165 20 0 GIADMO COc1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1Br ZINC000184772524 822688916 /nfs/dbraw/zinc/68/89/16/822688916.db2.gz ZFAHWGYEKKMRIF-UHFFFAOYSA-N 1 1 386.293 4.432 20 0 GIADMO Cc1cc(NC(=O)NCc2cccc(COCC(F)(F)F)c2)cn2cc[nH+]c12 ZINC000455640604 822689150 /nfs/dbraw/zinc/68/91/50/822689150.db2.gz JUUXXQPRKJKVRT-UHFFFAOYSA-N 1 1 392.381 4.043 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455641011 822689314 /nfs/dbraw/zinc/68/93/14/822689314.db2.gz HFBHPVHBKKFWBO-AHRSYUTCSA-N 1 1 387.474 4.203 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000180503037 822691992 /nfs/dbraw/zinc/69/19/92/822691992.db2.gz BMPGSUZJHDCFKT-OAHLLOKOSA-N 1 1 380.464 4.117 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000180503037 822691993 /nfs/dbraw/zinc/69/19/93/822691993.db2.gz BMPGSUZJHDCFKT-OAHLLOKOSA-N 1 1 380.464 4.117 20 0 GIADMO CCOCc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1OC ZINC000180504500 822692452 /nfs/dbraw/zinc/69/24/52/822692452.db2.gz WQVXOECLMSQDJO-OALUTQOASA-N 1 1 375.534 4.381 20 0 GIADMO COc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1OC(F)F ZINC000180505620 822692793 /nfs/dbraw/zinc/69/27/93/822692793.db2.gz BVKLQJUXMHMFMZ-GJZGRUSLSA-N 1 1 383.460 4.446 20 0 GIADMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Br)cc2SC(C)C)C1 ZINC000180506871 822693102 /nfs/dbraw/zinc/69/31/02/822693102.db2.gz XBVFQAUNHZVFJM-OAHLLOKOSA-N 1 1 399.398 4.250 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(Br)cc2SC(C)C)C1 ZINC000180506852 822693108 /nfs/dbraw/zinc/69/31/08/822693108.db2.gz XBVFQAUNHZVFJM-HNNXBMFYSA-N 1 1 399.398 4.250 20 0 GIADMO O=C(c1cccc(Br)c1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000180507532 822693359 /nfs/dbraw/zinc/69/33/59/822693359.db2.gz XSJSKIYQQLIHRQ-BLLLJJGKSA-N 1 1 397.744 4.191 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000455672365 822696772 /nfs/dbraw/zinc/69/67/72/822696772.db2.gz MJOZVNJDBROFHY-DENIHFKCSA-N 1 1 393.531 4.319 20 0 GIADMO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cccc(-c2cccnc2)c1)c1cccs1 ZINC000180543994 822699556 /nfs/dbraw/zinc/69/95/56/822699556.db2.gz GFBYNBCNRJMYPB-RTWAWAEBSA-N 1 1 380.513 4.135 20 0 GIADMO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cccc(-c2cccnc2)c1)c1cccs1 ZINC000180543994 822699557 /nfs/dbraw/zinc/69/95/57/822699557.db2.gz GFBYNBCNRJMYPB-RTWAWAEBSA-N 1 1 380.513 4.135 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)NCc1cccc(Cl)c1 ZINC000180551446 822700835 /nfs/dbraw/zinc/70/08/35/822700835.db2.gz YXJFLGZVKZXWKH-MRXNPFEDSA-N 1 1 388.792 4.379 20 0 GIADMO Cc1c(C)n(C2CCCCC2)c(=S)n1C[NH+]1CCC(CC(=O)N(C)C)CC1 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XFDGGVQHTKWBAJ-YOEHRIQHSA-N 1 1 393.409 4.273 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccccc1OCc1ccccn1)c1ccco1 ZINC000180602589 822709525 /nfs/dbraw/zinc/70/95/25/822709525.db2.gz YSLVPMOIQLYGNC-SFTDATJTSA-N 1 1 378.472 4.342 20 0 GIADMO Cc1cc([C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccccc2Cl)ccc1F ZINC000180602823 822709535 /nfs/dbraw/zinc/70/95/35/822709535.db2.gz JJAYIWLGDIUTON-LJQANCHMSA-N 1 1 395.927 4.291 20 0 GIADMO CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000184910775 822711820 /nfs/dbraw/zinc/71/18/20/822711820.db2.gz MUWAPZIBJPIXTL-FXAWDEMLSA-N 1 1 376.566 4.159 20 0 GIADMO C[C@@H]1CC[N@@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)C[C@@H]1n1ccnc1 ZINC000180610612 822711952 /nfs/dbraw/zinc/71/19/52/822711952.db2.gz HLWNJEHLMLJFIG-XLIONFOSSA-N 1 1 396.535 4.264 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2ccccc2OCCF)CC[N@H+]1Cc1ccccc1 ZINC000455718712 822712605 /nfs/dbraw/zinc/71/26/05/822712605.db2.gz BWULTSAPRKLHKR-GOSISDBHSA-N 1 1 385.483 4.163 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000049993579 822713351 /nfs/dbraw/zinc/71/33/51/822713351.db2.gz RQKSSQYKSJUTLK-YPAWHYETSA-N 1 1 397.950 4.352 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050028304 822715026 /nfs/dbraw/zinc/71/50/26/822715026.db2.gz OXFKZBHECVBZDB-OAQYLSRUSA-N 1 1 377.532 4.446 20 0 GIADMO CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCc2ccccc21 ZINC000050137056 822720066 /nfs/dbraw/zinc/72/00/66/822720066.db2.gz MVDJSBOMCIXYFJ-LAUBAEHRSA-N 1 1 383.561 4.289 20 0 GIADMO Cc1ccc(CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C2CC2)o1 ZINC000050137774 822720070 /nfs/dbraw/zinc/72/00/70/822720070.db2.gz QTXQUIGFYKKESF-KRWDZBQOSA-N 1 1 387.549 4.236 20 0 GIADMO Cn1cc(-c2cc(C[N@H+](Cc3ccccc3C(F)(F)F)C3CC3)on2)cn1 ZINC000184984011 822721810 /nfs/dbraw/zinc/72/18/10/822721810.db2.gz GMGHVWSPXVYBGA-UHFFFAOYSA-N 1 1 376.382 4.259 20 0 GIADMO Cn1cc(-c2cc(C[N@@H+](Cc3ccccc3C(F)(F)F)C3CC3)on2)cn1 ZINC000184984011 822721811 /nfs/dbraw/zinc/72/18/11/822721811.db2.gz GMGHVWSPXVYBGA-UHFFFAOYSA-N 1 1 376.382 4.259 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 ZINC000455770675 822723440 /nfs/dbraw/zinc/72/34/40/822723440.db2.gz NZWSZCGWYXWWKQ-UHFFFAOYSA-N 1 1 397.519 4.222 20 0 GIADMO CC(C)Oc1cccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000455779002 822725013 /nfs/dbraw/zinc/72/50/13/822725013.db2.gz IDZNUAQKFQYSGL-RTWAWAEBSA-N 1 1 393.531 4.460 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cccc(OC(C)C)c2)CC1 ZINC000455789758 822727177 /nfs/dbraw/zinc/72/71/77/822727177.db2.gz YKMMIYIHFIZWJQ-UHFFFAOYSA-N 1 1 391.556 4.076 20 0 GIADMO O=C(CCCOCc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050631737 822735342 /nfs/dbraw/zinc/73/53/42/822735342.db2.gz CFUWOUREOWCUNQ-FQEVSTJZSA-N 1 1 386.561 4.073 20 0 GIADMO O=C(NCCCCOCc1ccccc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000050689107 822736265 /nfs/dbraw/zinc/73/62/65/822736265.db2.gz CZKUJELERLXAJD-QFIPXVFZSA-N 1 1 398.522 4.151 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1nccs1 ZINC000185099424 822736984 /nfs/dbraw/zinc/73/69/84/822736984.db2.gz JHMQPQKEVPYJMD-MRXNPFEDSA-N 1 1 397.466 4.394 20 0 GIADMO CC(C)c1ncsc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455869071 822739883 /nfs/dbraw/zinc/73/98/83/822739883.db2.gz QOFRAPFUXCTWLK-ROUUACIJSA-N 1 1 384.549 4.252 20 0 GIADMO CCSCc1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000455871071 822740344 /nfs/dbraw/zinc/74/03/44/822740344.db2.gz ZNBURKYQVIQWOP-UHFFFAOYSA-N 1 1 399.560 4.094 20 0 GIADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000051050916 822745036 /nfs/dbraw/zinc/74/50/36/822745036.db2.gz XDUXXOJZUHQWRH-GOEBONIOSA-N 1 1 375.538 4.228 20 0 GIADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000051050916 822745037 /nfs/dbraw/zinc/74/50/37/822745037.db2.gz XDUXXOJZUHQWRH-GOEBONIOSA-N 1 1 375.538 4.228 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 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OYTWVGOGZNKHHO-OALUTQOASA-N 1 1 382.470 4.420 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000185231301 822752356 /nfs/dbraw/zinc/75/23/56/822752356.db2.gz GKHHJEDRZJJKNC-SFHVURJKSA-N 1 1 377.941 4.227 20 0 GIADMO COc1cc(C[N@@H+](C[C@H](O)c2ccc(F)cc2F)C2CC2)ccc1OC(F)F ZINC000051262188 822752569 /nfs/dbraw/zinc/75/25/69/822752569.db2.gz PEIBSTWJQQYVNE-KRWDZBQOSA-N 1 1 399.384 4.273 20 0 GIADMO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1nc(-c2ccccc2)cs1 ZINC000185282564 822759209 /nfs/dbraw/zinc/75/92/09/822759209.db2.gz NRCYIMLKJDGPBF-HNNXBMFYSA-N 1 1 398.507 4.032 20 0 GIADMO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1Cl ZINC000185282308 822759238 /nfs/dbraw/zinc/75/92/38/822759238.db2.gz VJRKHIDVHVNFPU-OAHLLOKOSA-N 1 1 379.913 4.312 20 0 GIADMO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1Cl ZINC000185282308 822759240 /nfs/dbraw/zinc/75/92/40/822759240.db2.gz VJRKHIDVHVNFPU-OAHLLOKOSA-N 1 1 379.913 4.312 20 0 GIADMO C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051476272 822761715 /nfs/dbraw/zinc/76/17/15/822761715.db2.gz NVWGRZPEJGDWPY-LJQANCHMSA-N 1 1 375.394 4.057 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)c1ccc(C)cc1 ZINC000174280932 822762389 /nfs/dbraw/zinc/76/23/89/822762389.db2.gz DWVZOGHDVWCXOM-GOSISDBHSA-N 1 1 380.410 4.008 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)c1ccc(C)cc1 ZINC000174280932 822762391 /nfs/dbraw/zinc/76/23/91/822762391.db2.gz DWVZOGHDVWCXOM-GOSISDBHSA-N 1 1 380.410 4.008 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C1=CC[C@H](C)CC1 ZINC000455994896 822763494 /nfs/dbraw/zinc/76/34/94/822763494.db2.gz LURKXVVKDAUALZ-UWJYYQICSA-N 1 1 378.520 4.323 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC[N@H+]1C ZINC000185317823 822765112 /nfs/dbraw/zinc/76/51/12/822765112.db2.gz VYOULKNBFOSECS-YLJYHZDGSA-N 1 1 399.510 4.029 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(C(F)(F)F)c(C)c2)cn1 ZINC000174298939 822766429 /nfs/dbraw/zinc/76/64/29/822766429.db2.gz CZWQGJJYRHQVFW-UHFFFAOYSA-N 1 1 389.381 4.225 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)s1 ZINC000185334158 822767615 /nfs/dbraw/zinc/76/76/15/822767615.db2.gz YJTUSJDHDMUBBH-WBVHZDCISA-N 1 1 375.925 4.341 20 0 GIADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1(C2CCC2)CCC1 ZINC000456029449 822768548 /nfs/dbraw/zinc/76/85/48/822768548.db2.gz JLYJAYWUMLUUOQ-QFIPXVFZSA-N 1 1 396.575 4.002 20 0 GIADMO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185346106 822768955 /nfs/dbraw/zinc/76/89/55/822768955.db2.gz HQHUQXOFFPHHKM-PXNSSMCTSA-N 1 1 387.549 4.158 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)s1 ZINC000185359422 822771103 /nfs/dbraw/zinc/77/11/03/822771103.db2.gz XZMZQVSSEXZGMN-BONVTDFDSA-N 1 1 394.884 4.081 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Br)cc2)C2CC2)s1 ZINC000185359325 822771108 /nfs/dbraw/zinc/77/11/08/822771108.db2.gz VIQYNACLAPSSNR-XHDPSFHLSA-N 1 1 394.338 4.282 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C2CC2)s1 ZINC000185360200 822771331 /nfs/dbraw/zinc/77/13/31/822771331.db2.gz LARHAYPSWUJHFX-LJQANCHMSA-N 1 1 399.516 4.172 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCc1cccc(OCC(F)(F)F)c1 ZINC000051653504 822771515 /nfs/dbraw/zinc/77/15/15/822771515.db2.gz NOHOEGHRIOHMQT-INIZCTEOSA-N 1 1 398.450 4.143 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185366351 822772802 /nfs/dbraw/zinc/77/28/02/822772802.db2.gz PZEVNGARHXTUPV-MRXNPFEDSA-N 1 1 386.565 4.224 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)C2CC2)s1 ZINC000185372389 822773962 /nfs/dbraw/zinc/77/39/62/822773962.db2.gz JSMYZHPYJRIXMH-MRXNPFEDSA-N 1 1 394.338 4.202 20 0 GIADMO C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(Cl)c2ccccc21 ZINC000185387195 822776726 /nfs/dbraw/zinc/77/67/26/822776726.db2.gz LCLRNVGUPOMRQF-ZDUSSCGKSA-N 1 1 387.936 4.431 20 0 GIADMO C[C@H](CCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000174361925 822777962 /nfs/dbraw/zinc/77/79/62/822777962.db2.gz VMWWHGMAZSRWCP-CVEARBPZSA-N 1 1 385.474 4.182 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1csc(Br)c1 ZINC000051855223 822780559 /nfs/dbraw/zinc/78/05/59/822780559.db2.gz WOUWXNBTCUWUKH-LBPRGKRZSA-N 1 1 377.311 4.284 20 0 GIADMO CC[N@H+](Cc1nccn1Cc1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000174390105 822782396 /nfs/dbraw/zinc/78/23/96/822782396.db2.gz BTKAHHBVGRIBCB-UHFFFAOYSA-N 1 1 389.547 4.065 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000185444174 822784656 /nfs/dbraw/zinc/78/46/56/822784656.db2.gz SLBOPFZAHXRYTJ-ZDUSSCGKSA-N 1 1 398.359 4.372 20 0 GIADMO CN(Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402461 822785045 /nfs/dbraw/zinc/78/50/45/822785045.db2.gz KBZBYGLGCKEKRK-SFHVURJKSA-N 1 1 396.922 4.344 20 0 GIADMO Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000174405076 822785768 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CC(C)(C)[N@H+]1CCCN(Cn2nc(Nc3cccc(F)c3)sc2=S)CC1 ZINC000052087222 822790193 /nfs/dbraw/zinc/79/01/93/822790193.db2.gz FTRSXYGZCKGZGJ-UHFFFAOYSA-N 1 1 395.573 4.320 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cl)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185492339 822790322 /nfs/dbraw/zinc/79/03/22/822790322.db2.gz HUUHUFWPDDNKJF-HUUCEWRRSA-N 1 1 377.941 4.107 20 0 GIADMO C[N@H+](CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1)CC1CC1 ZINC000052128174 822790971 /nfs/dbraw/zinc/79/09/71/822790971.db2.gz ZXOREELZCIWBSU-SFHVURJKSA-N 1 1 377.444 4.045 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000052158247 822791790 /nfs/dbraw/zinc/79/17/90/822791790.db2.gz HQTIBVIOBAQXLU-UHFFFAOYSA-N 1 1 399.579 4.027 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000052217759 822793219 /nfs/dbraw/zinc/79/32/19/822793219.db2.gz YFLJSLSTUZLOSJ-AWEZNQCLSA-N 1 1 380.319 4.476 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000052217759 822793222 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387.597 4.194 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)N([C@@H](C)C4CC4)C4CC4)CC3)c2c1 ZINC000053075829 822820430 /nfs/dbraw/zinc/82/04/30/822820430.db2.gz AJLRZIUBBNNRGM-INIZCTEOSA-N 1 1 393.531 4.055 20 0 GIADMO CCOC(=O)N1CC[C@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000185782347 822820704 /nfs/dbraw/zinc/82/07/04/822820704.db2.gz YEMDVGHLDFDXTF-AWEZNQCLSA-N 1 1 399.438 4.149 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000174665296 822820842 /nfs/dbraw/zinc/82/08/42/822820842.db2.gz SWARWSUQEIIBJE-FQEVSTJZSA-N 1 1 394.519 4.021 20 0 GIADMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)oc2c1C(=O)CCC2 ZINC000053144199 822823420 /nfs/dbraw/zinc/82/34/20/822823420.db2.gz PGZPFXKSSBZOLC-INIZCTEOSA-N 1 1 394.515 4.269 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCCCOC2CCCCC2)[C@@H]1c1cccs1 ZINC000174698477 822824926 /nfs/dbraw/zinc/82/49/26/822824926.db2.gz XMDXUNRAQHOWLX-YLJYHZDGSA-N 1 1 393.597 4.170 20 0 GIADMO Cc1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2C)c(C)n1C1CCCCC1 ZINC000053180796 822825155 /nfs/dbraw/zinc/82/51/55/822825155.db2.gz STKBYMOZMHRGKC-UHFFFAOYSA-N 1 1 391.519 4.429 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-c3cccnc3)on2)cc1 ZINC000053187588 822825300 /nfs/dbraw/zinc/82/53/00/822825300.db2.gz IGITYGUOBXGSJO-KRWDZBQOSA-N 1 1 390.487 4.041 20 0 GIADMO CCCc1noc(CCCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000053191160 822825759 /nfs/dbraw/zinc/82/57/59/822825759.db2.gz WIAAMUUOHSEVSZ-QGZVFWFLSA-N 1 1 384.524 4.215 20 0 GIADMO COc1ccc2c(c1)nc(C[NH2+]Cc1cc(C)c(C)cc1OC(F)F)n2C ZINC000185842794 822826589 /nfs/dbraw/zinc/82/65/89/822826589.db2.gz FGPPPVKHJGNKCF-UHFFFAOYSA-N 1 1 375.419 4.090 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000174708987 822826624 /nfs/dbraw/zinc/82/66/24/822826624.db2.gz WURUZDYGEANFHM-UHFFFAOYSA-N 1 1 382.439 4.148 20 0 GIADMO O=C(CCCCc1nc2ccccc2s1)NCC[N@@H+]1CCc2sccc2C1 ZINC000053266410 822828427 /nfs/dbraw/zinc/82/84/27/822828427.db2.gz RKIJXTVHQAGMJR-UHFFFAOYSA-N 1 1 399.585 4.245 20 0 GIADMO O=C(CCCCc1nc2ccccc2s1)NCC[N@H+]1CCc2sccc2C1 ZINC000053266410 822828430 /nfs/dbraw/zinc/82/84/30/822828430.db2.gz RKIJXTVHQAGMJR-UHFFFAOYSA-N 1 1 399.585 4.245 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCCCc1ccc(Br)cc1F ZINC000174729736 822829554 /nfs/dbraw/zinc/82/95/54/822829554.db2.gz WMNLNXRLVWSLQG-UHFFFAOYSA-N 1 1 396.304 4.047 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000174732688 822829939 /nfs/dbraw/zinc/82/99/39/822829939.db2.gz YJUXJBHGMNYAAO-KBPBESRZSA-N 1 1 386.367 4.395 20 0 GIADMO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000185888818 822830323 /nfs/dbraw/zinc/83/03/23/822830323.db2.gz SDZKMUCFYKFTLN-UHFFFAOYSA-N 1 1 375.557 4.060 20 0 GIADMO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000174744204 822831325 /nfs/dbraw/zinc/83/13/25/822831325.db2.gz DPCRUOBRSGTFLI-STQMWFEESA-N 1 1 392.491 4.033 20 0 GIADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC(C)C)cc1 ZINC000053363902 822831845 /nfs/dbraw/zinc/83/18/45/822831845.db2.gz WLCMTPWXBXDYAX-KRWDZBQOSA-N 1 1 397.519 4.252 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)N2CCCC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185910944 822832552 /nfs/dbraw/zinc/83/25/52/822832552.db2.gz CEVUOBNWUKRKBQ-YJBOKZPZSA-N 1 1 379.907 4.058 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cc3c(c(Cl)c2)OCO3)ccc1OC(F)F ZINC000053403420 822833216 /nfs/dbraw/zinc/83/32/16/822833216.db2.gz GABKIOSZELSCGB-UHFFFAOYSA-N 1 1 385.794 4.311 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)Cc2ncc(-c3ccccc3Br)o2)[C@H](C)C1 ZINC000174775249 822835486 /nfs/dbraw/zinc/83/54/86/822835486.db2.gz IQGZKTSUTIHYJD-PBHICJAKSA-N 1 1 392.341 4.266 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456831823 822836162 /nfs/dbraw/zinc/83/61/62/822836162.db2.gz UHZLGJAIRNSLNM-UHFFFAOYSA-N 1 1 375.463 4.156 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)s1 ZINC000174792934 822837593 /nfs/dbraw/zinc/83/75/93/822837593.db2.gz KBRSLODIUCEHAI-INIZCTEOSA-N 1 1 380.602 4.371 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000185965324 822838544 /nfs/dbraw/zinc/83/85/44/822838544.db2.gz FXRHCJDQBDHIAZ-DYESRHJHSA-N 1 1 389.503 4.251 20 0 GIADMO CCc1cccc(CC)c1NC(=S)NCc1cccnc1-n1cc[nH+]c1C ZINC000053522335 822838598 /nfs/dbraw/zinc/83/85/98/822838598.db2.gz LICGWKQKRDGWCF-UHFFFAOYSA-N 1 1 379.533 4.187 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000053522544 822838634 /nfs/dbraw/zinc/83/86/34/822838634.db2.gz PRVKZBPFBFKFJD-UHFFFAOYSA-N 1 1 392.315 4.369 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)c1ccco1 ZINC000053525437 822838959 /nfs/dbraw/zinc/83/89/59/822838959.db2.gz ORUFCZFNRQPQCP-DOTOQJQBSA-N 1 1 398.532 4.081 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000174804741 822839614 /nfs/dbraw/zinc/83/96/14/822839614.db2.gz SMJFVWCERARXBL-HXUWFJFHSA-N 1 1 386.540 4.057 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cn1 ZINC000053546171 822840147 /nfs/dbraw/zinc/84/01/47/822840147.db2.gz GQCKDDGODKRXND-UHFFFAOYSA-N 1 1 396.248 4.072 20 0 GIADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1cccs1 ZINC000053602814 822842358 /nfs/dbraw/zinc/84/23/58/822842358.db2.gz DWSLKEOCDFXYOV-LJQANCHMSA-N 1 1 395.528 4.327 20 0 GIADMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000053605968 822842583 /nfs/dbraw/zinc/84/25/83/822842583.db2.gz KTDREFPGLIRORV-FQEVSTJZSA-N 1 1 393.512 4.255 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000053605968 822842585 /nfs/dbraw/zinc/84/25/85/822842585.db2.gz KTDREFPGLIRORV-FQEVSTJZSA-N 1 1 393.512 4.255 20 0 GIADMO C[N@@H+](Cc1ncc(-c2cccs2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828195 822842608 /nfs/dbraw/zinc/84/26/08/822842608.db2.gz JFDPVHRQKXYQEO-UHFFFAOYSA-N 1 1 377.510 4.234 20 0 GIADMO C[C@]12CN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000456996666 822845248 /nfs/dbraw/zinc/84/52/48/822845248.db2.gz VGMBLVZDIQAMCM-TVNWPGJYSA-N 1 1 381.564 4.388 20 0 GIADMO CC[C@@H](NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)c1nc(C(F)(F)F)cs1 ZINC000174856411 822847138 /nfs/dbraw/zinc/84/71/38/822847138.db2.gz ROEBNLADVDDCSY-HIFRSBDPSA-N 1 1 385.455 4.422 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)C1 ZINC000186057136 822847947 /nfs/dbraw/zinc/84/79/47/822847947.db2.gz GVBQLARCCOTLCS-MRXNPFEDSA-N 1 1 387.553 4.018 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)C1 ZINC000186057105 822847987 /nfs/dbraw/zinc/84/79/87/822847987.db2.gz GVBQLARCCOTLCS-INIZCTEOSA-N 1 1 387.553 4.018 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1cccc(O)c1 ZINC000174863859 822848315 /nfs/dbraw/zinc/84/83/15/822848315.db2.gz YAOIVERAHFILCF-QGZVFWFLSA-N 1 1 393.487 4.178 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1cccc(O)c1 ZINC000174863859 822848319 /nfs/dbraw/zinc/84/83/19/822848319.db2.gz YAOIVERAHFILCF-QGZVFWFLSA-N 1 1 393.487 4.178 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c2ncccc12 ZINC000186070393 822849184 /nfs/dbraw/zinc/84/91/84/822849184.db2.gz XPBRQFQBNJGVNA-SJORKVTESA-N 1 1 382.508 4.113 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000186084080 822850114 /nfs/dbraw/zinc/85/01/14/822850114.db2.gz XJLPZNFUOSXKSY-UHFFFAOYSA-N 1 1 393.875 4.346 20 0 GIADMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccc(Oc3ccccn3)c1)C2 ZINC000174901741 822853094 /nfs/dbraw/zinc/85/30/94/822853094.db2.gz DLKMTEYHCKPNNZ-RBUKOAKNSA-N 1 1 380.492 4.353 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c(C)c1 ZINC000174904786 822853566 /nfs/dbraw/zinc/85/35/66/822853566.db2.gz SDQMBEZPQJPXAV-QFIPXVFZSA-N 1 1 380.532 4.312 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)cc2)cs1 ZINC000457109467 822853978 /nfs/dbraw/zinc/85/39/78/822853978.db2.gz GXMWHSSWFPOYHI-GOSISDBHSA-N 1 1 389.590 4.299 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2C)cn1 ZINC000174911350 822854613 /nfs/dbraw/zinc/85/46/13/822854613.db2.gz ALLJKMHPHJCRPX-UHFFFAOYSA-N 1 1 389.381 4.225 20 0 GIADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1cc(Cl)ccc1Cl ZINC000053985403 822855561 /nfs/dbraw/zinc/85/55/61/822855561.db2.gz OBLGWTPTHOMQCY-UHFFFAOYSA-N 1 1 394.302 4.147 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174917794 822855919 /nfs/dbraw/zinc/85/59/19/822855919.db2.gz LDGFQLLFYHKUJC-FQEVSTJZSA-N 1 1 389.499 4.244 20 0 GIADMO CC(C)n1c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)cc2nc1C(F)(F)F ZINC000457128117 822856027 /nfs/dbraw/zinc/85/60/27/822856027.db2.gz SAXOFSABIDLNBS-OAHLLOKOSA-N 1 1 396.457 4.191 20 0 GIADMO COc1cccc(C([NH2+]Cc2ccc(OC)c(O)c2)c2cccc(OC)c2)c1 ZINC000174927857 822857118 /nfs/dbraw/zinc/85/71/18/822857118.db2.gz IECSDGNKMBKVKD-UHFFFAOYSA-N 1 1 379.456 4.297 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ncoc1-c1ccc(F)cc1 ZINC000186166419 822857462 /nfs/dbraw/zinc/85/74/62/822857462.db2.gz GGLOLJFYIINPQH-SFHVURJKSA-N 1 1 393.462 4.075 20 0 GIADMO CSCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186177517 822858376 /nfs/dbraw/zinc/85/83/76/822858376.db2.gz IMSMFIBAIXZUBO-AZUAARDMSA-N 1 1 377.598 4.214 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000174938125 822858423 /nfs/dbraw/zinc/85/84/23/822858423.db2.gz KSSMCYVULNJDDU-FPOVZHCZSA-N 1 1 387.549 4.167 20 0 GIADMO COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1C ZINC000054011228 822858541 /nfs/dbraw/zinc/85/85/41/822858541.db2.gz VVHSTMXIMMAMPS-UHFFFAOYSA-N 1 1 394.475 4.039 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COCCOc2ccccc2)c1 ZINC000054011975 822858812 /nfs/dbraw/zinc/85/88/12/822858812.db2.gz IUULLKPRIDOBLR-UHFFFAOYSA-N 1 1 393.487 4.089 20 0 GIADMO CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000174943626 822859191 /nfs/dbraw/zinc/85/91/91/822859191.db2.gz KYKLITRUODPRFF-HXUWFJFHSA-N 1 1 396.531 4.078 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCc2occc21 ZINC000174944013 822859330 /nfs/dbraw/zinc/85/93/30/822859330.db2.gz XBTYOCRXPURWHZ-PZJWPPBQSA-N 1 1 381.520 4.211 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000174946926 822859558 /nfs/dbraw/zinc/85/95/58/822859558.db2.gz XIVHRIROPJSNPT-IBGZPJMESA-N 1 1 382.935 4.352 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000174952178 822860245 /nfs/dbraw/zinc/86/02/45/822860245.db2.gz XEIHFBHVUACNIY-IBGZPJMESA-N 1 1 398.934 4.283 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN([C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)C1 ZINC000174952243 822860398 /nfs/dbraw/zinc/86/03/98/822860398.db2.gz DFLHIGZYDSGCTK-XXBNENTESA-N 1 1 395.547 4.039 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)NCc1nc2ccccc2s1)c1ccccc1Cl ZINC000054045810 822860565 /nfs/dbraw/zinc/86/05/65/822860565.db2.gz LGVWRLGZSVKEOW-INIZCTEOSA-N 1 1 388.924 4.052 20 0 GIADMO Cc1ccc2[nH]c(C(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1C ZINC000174956813 822860842 /nfs/dbraw/zinc/86/08/42/822860842.db2.gz NDQGLJJBQGIJGD-FQEVSTJZSA-N 1 1 375.516 4.379 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000174960176 822861586 /nfs/dbraw/zinc/86/15/86/822861586.db2.gz CNOPCGYMLLNEST-GJZGRUSLSA-N 1 1 396.457 4.480 20 0 GIADMO COc1ccccc1C[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174963055 822861984 /nfs/dbraw/zinc/86/19/84/822861984.db2.gz LNWGJCIYSUFNKT-IFMALSPDSA-N 1 1 394.559 4.244 20 0 GIADMO COc1cccc(F)c1NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000186224133 822862370 /nfs/dbraw/zinc/86/23/70/822862370.db2.gz VDWQJIZXMUKOCN-MRXNPFEDSA-N 1 1 377.504 4.343 20 0 GIADMO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174972190 822862952 /nfs/dbraw/zinc/86/29/52/822862952.db2.gz QTKDHHGWXDSYRM-GFCCVEGCSA-N 1 1 393.475 4.241 20 0 GIADMO C[N@H+](Cc1nc(C(F)(F)F)cs1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174972190 822862953 /nfs/dbraw/zinc/86/29/53/822862953.db2.gz QTKDHHGWXDSYRM-GFCCVEGCSA-N 1 1 393.475 4.241 20 0 GIADMO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122458 822863046 /nfs/dbraw/zinc/86/30/46/822863046.db2.gz OPUZKPGJIIKABE-NHCUHLMSSA-N 1 1 386.898 4.317 20 0 GIADMO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122458 822863050 /nfs/dbraw/zinc/86/30/50/822863050.db2.gz OPUZKPGJIIKABE-NHCUHLMSSA-N 1 1 386.898 4.317 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-c2cccnc2)cc1 ZINC000186232949 822863193 /nfs/dbraw/zinc/86/31/93/822863193.db2.gz CFEAPIXTAXENFI-IIBYNOLFSA-N 1 1 378.497 4.318 20 0 GIADMO NC(=O)[C@@H]1CCCN(c2ccc(CNc3cc[nH+]c4cc(Cl)ccc34)cc2)C1 ZINC000054124325 822863233 /nfs/dbraw/zinc/86/32/33/822863233.db2.gz YKOOCRQXODZUGD-MRXNPFEDSA-N 1 1 394.906 4.202 20 0 GIADMO COc1ccsc1[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000186236349 822863646 /nfs/dbraw/zinc/86/36/46/822863646.db2.gz HPGQMYPFGNQJFF-KKXDTOCCSA-N 1 1 380.941 4.133 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)c(Br)c1 ZINC000054152769 822864620 /nfs/dbraw/zinc/86/46/20/822864620.db2.gz JEBHPMSWGRENHN-UHFFFAOYSA-N 1 1 395.272 4.057 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)c(Br)c1 ZINC000054152769 822864624 /nfs/dbraw/zinc/86/46/24/822864624.db2.gz JEBHPMSWGRENHN-UHFFFAOYSA-N 1 1 395.272 4.057 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccccc1Nc1ccccc1 ZINC000054164755 822864719 /nfs/dbraw/zinc/86/47/19/822864719.db2.gz CZZYCXHSSWOPKI-UHFFFAOYSA-N 1 1 383.455 4.249 20 0 GIADMO Cc1cc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cn2cc[nH+]c12 ZINC000568961414 822865309 /nfs/dbraw/zinc/86/53/09/822865309.db2.gz IMQMXANREZUSGG-UHFFFAOYSA-N 1 1 396.878 4.423 20 0 GIADMO COc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(C)C ZINC000186267822 822867513 /nfs/dbraw/zinc/86/75/13/822867513.db2.gz AHULAAUYMSERPP-DLBZAZTESA-N 1 1 389.540 4.257 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000175019971 822868603 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398.532 4.087 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000457565727 822892052 /nfs/dbraw/zinc/89/20/52/822892052.db2.gz HYXFGZMGONGROZ-ZFWWWQNUSA-N 1 1 378.385 4.077 20 0 GIADMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000569207551 822892876 /nfs/dbraw/zinc/89/28/76/822892876.db2.gz XPVUYKJIWBVOCR-QGZVFWFLSA-N 1 1 377.941 4.343 20 0 GIADMO COc1sc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Br ZINC000186432629 822894481 /nfs/dbraw/zinc/89/44/81/822894481.db2.gz JTIIZVPVROQHQK-QGZVFWFLSA-N 1 1 380.307 4.151 20 0 GIADMO COc1sc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1Br ZINC000186432629 822894482 /nfs/dbraw/zinc/89/44/82/822894482.db2.gz JTIIZVPVROQHQK-QGZVFWFLSA-N 1 1 380.307 4.151 20 0 GIADMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](OC)C2)cc1Cl ZINC000569247425 822896396 /nfs/dbraw/zinc/89/63/96/822896396.db2.gz PFDVNTFPELHTIE-FXAWDEMLSA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](OC)C2)cc1Cl ZINC000569247425 822896398 /nfs/dbraw/zinc/89/63/98/822896398.db2.gz PFDVNTFPELHTIE-FXAWDEMLSA-N 1 1 388.895 4.139 20 0 GIADMO CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000054608993 822898719 /nfs/dbraw/zinc/89/87/19/822898719.db2.gz XPIWZQJYCFGQIJ-HNNXBMFYSA-N 1 1 381.455 4.008 20 0 GIADMO CN(C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1)C(=O)OC(C)(C)C ZINC000175180981 822898960 /nfs/dbraw/zinc/89/89/60/822898960.db2.gz CWXRQIKVROMYFR-OAHLLOKOSA-N 1 1 389.471 4.170 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1)C(=O)OC(C)(C)C ZINC000175180981 822898964 /nfs/dbraw/zinc/89/89/64/822898964.db2.gz CWXRQIKVROMYFR-OAHLLOKOSA-N 1 1 389.471 4.170 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000054626150 822900053 /nfs/dbraw/zinc/90/00/53/822900053.db2.gz SLSGZSZSACNCJS-UHFFFAOYSA-N 1 1 398.466 4.085 20 0 GIADMO Cc1c(Cl)cncc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000457643247 822900237 /nfs/dbraw/zinc/90/02/37/822900237.db2.gz CSVKBFWBBWUYIZ-WIYYLYMNSA-N 1 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Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000569560693 822940016 /nfs/dbraw/zinc/94/00/16/822940016.db2.gz IIWXVPBXELHIKF-IFMALSPDSA-N 1 1 380.488 4.369 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000569560693 822940019 /nfs/dbraw/zinc/94/00/19/822940019.db2.gz IIWXVPBXELHIKF-IFMALSPDSA-N 1 1 380.488 4.369 20 0 GIADMO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186705653 822941052 /nfs/dbraw/zinc/94/10/52/822941052.db2.gz SOMJMNNLQXKVIJ-ILBGXUMGSA-N 1 1 384.479 4.498 20 0 GIADMO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186705653 822941056 /nfs/dbraw/zinc/94/10/56/822941056.db2.gz SOMJMNNLQXKVIJ-ILBGXUMGSA-N 1 1 384.479 4.498 20 0 GIADMO COc1cc(C)c(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000186737322 822947569 /nfs/dbraw/zinc/94/75/69/822947569.db2.gz UPIRKBZOTHFMLO-IRXDYDNUSA-N 1 1 377.504 4.261 20 0 GIADMO COc1ccc(CC[N@H+](Cc2ccsc2)C[C@H](O)C(C)(C)C)cc1OC ZINC000569646530 822949805 /nfs/dbraw/zinc/94/98/05/822949805.db2.gz ABRBJMYJILEYIO-FQEVSTJZSA-N 1 1 377.550 4.217 20 0 GIADMO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175374000 822950662 /nfs/dbraw/zinc/95/06/62/822950662.db2.gz BLHDJLPNTYEKKT-ZAMGYDSWSA-N 1 1 396.350 4.388 20 0 GIADMO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175374000 822950664 /nfs/dbraw/zinc/95/06/64/822950664.db2.gz BLHDJLPNTYEKKT-ZAMGYDSWSA-N 1 1 396.350 4.388 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N(C)[C@H](C)c3ccccc3)C2)cc1 ZINC000569657099 822951260 /nfs/dbraw/zinc/95/12/60/822951260.db2.gz ZDVZBMYQNGGXCR-TZIWHRDSSA-N 1 1 380.532 4.169 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1Cl ZINC000186768252 822952045 /nfs/dbraw/zinc/95/20/45/822952045.db2.gz WKEFCOQGJSAOAV-LBPRGKRZSA-N 1 1 387.332 4.095 20 0 GIADMO Cc1cccc(Oc2ncccc2NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000175379619 822952207 /nfs/dbraw/zinc/95/22/07/822952207.db2.gz ALXFXZDIVRFKJO-AEFFLSMTSA-N 1 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20 0 GIADMO COc1ccc(C[NH2+]CCCN(C)Cc2ccccc2)cc1Br ZINC000061556881 823603643 /nfs/dbraw/zinc/60/36/43/823603643.db2.gz VNZCXYXFEKCFQG-UHFFFAOYSA-N 1 1 377.326 4.069 20 0 GIADMO Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc(C)c1OCc1cccnc1 ZINC000461255136 823605710 /nfs/dbraw/zinc/60/57/10/823605710.db2.gz BWKXKQJJJBMCTI-JOCHJYFZSA-N 1 1 395.547 4.224 20 0 GIADMO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461256062 823605875 /nfs/dbraw/zinc/60/58/75/823605875.db2.gz GFPLDRQLHZKZRY-HKUYNNGSSA-N 1 1 395.385 4.351 20 0 GIADMO C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461259380 823606751 /nfs/dbraw/zinc/60/67/51/823606751.db2.gz BXJSEPQGHNANFN-ICSRJNTNSA-N 1 1 395.547 4.177 20 0 GIADMO Cc1cccc(COc2cccc(CC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)c1 ZINC000124575211 823607822 /nfs/dbraw/zinc/60/78/22/823607822.db2.gz CPUWBFNCZWPZHG-KNQAVFIVSA-N 1 1 380.532 4.058 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c(F)c1 ZINC000124579954 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CCn1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc21 ZINC000461440803 823638142 /nfs/dbraw/zinc/63/81/42/823638142.db2.gz ZQQODTJEDILFBX-SFTDATJTSA-N 1 1 387.527 4.255 20 0 GIADMO C[N@@H+](CCCNc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CCCCC1 ZINC000461441711 823638218 /nfs/dbraw/zinc/63/82/18/823638218.db2.gz GYTPTYAXLVXAHJ-UHFFFAOYSA-N 1 1 393.457 4.046 20 0 GIADMO Cc1ccccc1OCCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461441777 823638234 /nfs/dbraw/zinc/63/82/34/823638234.db2.gz GJODUDYJCUCBPK-XZOQPEGZSA-N 1 1 392.543 4.135 20 0 GIADMO COc1ccc2occ(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2c1 ZINC000461442795 823638696 /nfs/dbraw/zinc/63/86/96/823638696.db2.gz FUCKKHOLGCOEQA-RBUKOAKNSA-N 1 1 390.483 4.036 20 0 GIADMO CC[C@H](CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000124944124 823639266 /nfs/dbraw/zinc/63/92/66/823639266.db2.gz COUBIZKWFIKDJI-FGZHOGPDSA-N 1 1 394.559 4.260 20 0 GIADMO CC(C)CC[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccc(Cl)cc1 ZINC000191028780 823639830 /nfs/dbraw/zinc/63/98/30/823639830.db2.gz SDISVEGIPBOIHT-AWEZNQCLSA-N 1 1 375.826 4.156 20 0 GIADMO Cc1cc(C)cc(CCC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461455412 823641307 /nfs/dbraw/zinc/64/13/07/823641307.db2.gz KGDIOURKBXDQKW-DNQXCXABSA-N 1 1 376.544 4.217 20 0 GIADMO C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461456965 823641438 /nfs/dbraw/zinc/64/14/38/823641438.db2.gz OLIHOQPAPUJPDU-QIJUGHKUSA-N 1 1 396.962 4.499 20 0 GIADMO CC(C)(C)c1nc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000461459047 823641839 /nfs/dbraw/zinc/64/18/39/823641839.db2.gz YMNWDXGGMYQZAP-MSOLQXFVSA-N 1 1 383.561 4.035 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(-c4n[nH]c(CC)n4)cc3)c2C1 ZINC000124993442 823643299 /nfs/dbraw/zinc/64/32/99/823643299.db2.gz ZARPMSQLUUJYPQ-UHFFFAOYSA-N 1 1 375.476 4.012 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(-c4n[nH]c(CC)n4)cc3)c2C1 ZINC000124993442 823643304 /nfs/dbraw/zinc/64/33/04/823643304.db2.gz ZARPMSQLUUJYPQ-UHFFFAOYSA-N 1 1 375.476 4.012 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2cc(Cl)ccn2n1 ZINC000461468952 823643569 /nfs/dbraw/zinc/64/35/69/823643569.db2.gz GORZFBNUSRFNFA-GOSISDBHSA-N 1 1 396.922 4.020 20 0 GIADMO CC[C@@H](Nc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461471880 823643746 /nfs/dbraw/zinc/64/37/46/823643746.db2.gz IBMXUDQCPKRIMP-FYYLOGMGSA-N 1 1 379.548 4.296 20 0 GIADMO CC(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000461473878 823644051 /nfs/dbraw/zinc/64/40/51/823644051.db2.gz ITLGLCLRNRCWGJ-LJQANCHMSA-N 1 1 382.479 4.060 20 0 GIADMO O=C(N[C@@H]1CCSc2c(F)cccc21)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000125010119 823644815 /nfs/dbraw/zinc/64/48/15/823644815.db2.gz XCGVDGKKVLOLBD-NIKGAXFTSA-N 1 1 389.540 4.021 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)C[C@H]1C ZINC000461478195 823644842 /nfs/dbraw/zinc/64/48/42/823644842.db2.gz IBDJBUVTYUSDKB-MJGOQNOKSA-N 1 1 395.576 4.364 20 0 GIADMO C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(O)c1 ZINC000191076869 823645660 /nfs/dbraw/zinc/64/56/60/823645660.db2.gz JWNLFDJPFSIOBW-DBXWQHBBSA-N 1 1 381.520 4.148 20 0 GIADMO Cc1ccsc1-c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1Cc1cccs1 ZINC000461505876 823650519 /nfs/dbraw/zinc/65/05/19/823650519.db2.gz GUKRVTNCSGCTIK-HZPDHXFCSA-N 1 1 399.589 4.098 20 0 GIADMO COCC[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000412376519 823650769 /nfs/dbraw/zinc/65/07/69/823650769.db2.gz IHLJAIOAUIRUQE-ZWKOTPCHSA-N 1 1 386.458 4.164 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC(c4ccc(Cl)cc4)C3)cc2)C[C@H](C)O1 ZINC000412384285 823651242 /nfs/dbraw/zinc/65/12/42/823651242.db2.gz AJZJVMNFNBSTCT-CALCHBBNSA-N 1 1 398.934 4.189 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC(c4ccc(Cl)cc4)C3)cc2)C[C@H](C)O1 ZINC000412384285 823651245 /nfs/dbraw/zinc/65/12/45/823651245.db2.gz AJZJVMNFNBSTCT-CALCHBBNSA-N 1 1 398.934 4.189 20 0 GIADMO Cc1ccccc1-c1nnc(SCC[C@H]2CCC[N@@H+]2C)n1Cc1ccco1 ZINC000125105372 823651993 /nfs/dbraw/zinc/65/19/93/823651993.db2.gz ONVCHMYGJWWZIU-QGZVFWFLSA-N 1 1 382.533 4.471 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000461518065 823652634 /nfs/dbraw/zinc/65/26/34/823652634.db2.gz CLGHIJKGDJQFDF-ZWKOTPCHSA-N 1 1 384.524 4.355 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cnn1C(C)(C)C ZINC000191146778 823653686 /nfs/dbraw/zinc/65/36/86/823653686.db2.gz HBAPRTKXIGCIDW-QRVBRYPASA-N 1 1 398.595 4.407 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=S)Nc3ccccc3Cl)c2)CCO1 ZINC000063173848 823654113 /nfs/dbraw/zinc/65/41/13/823654113.db2.gz MHWKBSAJNMVFIC-HNNXBMFYSA-N 1 1 389.952 4.047 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=S)Nc3ccccc3Cl)c2)CCO1 ZINC000063173848 823654115 /nfs/dbraw/zinc/65/41/15/823654115.db2.gz MHWKBSAJNMVFIC-HNNXBMFYSA-N 1 1 389.952 4.047 20 0 GIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)CCOCC(F)(F)C(F)F)c2C1 ZINC000191159763 823654933 /nfs/dbraw/zinc/65/49/33/823654933.db2.gz SBCBPPKYCCDRGI-UHFFFAOYSA-N 1 1 390.421 4.294 20 0 GIADMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccccc1NC(=O)c1ccccc1 ZINC000125157277 823655637 /nfs/dbraw/zinc/65/56/37/823655637.db2.gz QJIFIFMIJVSQIV-UWJYYQICSA-N 1 1 380.488 4.418 20 0 GIADMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccccc1NC(=O)c1ccccc1 ZINC000125157277 823655639 /nfs/dbraw/zinc/65/56/39/823655639.db2.gz QJIFIFMIJVSQIV-UWJYYQICSA-N 1 1 380.488 4.418 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccoc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125217529 823659861 /nfs/dbraw/zinc/65/98/61/823659861.db2.gz DHYBOIASEJBUNB-APWZRJJASA-N 1 1 380.410 4.040 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191224126 823660678 /nfs/dbraw/zinc/66/06/78/823660678.db2.gz SSACIBHJHGAAGI-OTWHNJEPSA-N 1 1 398.595 4.407 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3CCC4(CC3)OCCO4)cc2)C1 ZINC000191223785 823660724 /nfs/dbraw/zinc/66/07/24/823660724.db2.gz QLLLWSFNRKSHDK-GOSISDBHSA-N 1 1 386.536 4.180 20 0 GIADMO Cc1c(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)oc2c1c(C)ccc2C ZINC000461569001 823661708 /nfs/dbraw/zinc/66/17/08/823661708.db2.gz CHCKXCNHJSLJLU-SFHVURJKSA-N 1 1 384.520 4.121 20 0 GIADMO O=C(c1cc(C2CC2)on1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461580292 823664117 /nfs/dbraw/zinc/66/41/17/823664117.db2.gz PJWIZSHHTKTSBW-UHFFFAOYSA-N 1 1 379.504 4.213 20 0 GIADMO CC(C)(C)n1cc(C[NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)nn1 ZINC000191295724 823668692 /nfs/dbraw/zinc/66/86/92/823668692.db2.gz KXDKUTVMICBXJZ-UHFFFAOYSA-N 1 1 377.703 4.162 20 0 GIADMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191317972 823671053 /nfs/dbraw/zinc/67/10/53/823671053.db2.gz XRBQXDBLGFAEMM-CQSZACIVSA-N 1 1 388.434 4.359 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000125391300 823672664 /nfs/dbraw/zinc/67/26/64/823672664.db2.gz ACVYEXBBRUYKEF-GOEBONIOSA-N 1 1 390.915 4.079 20 0 GIADMO Cc1ccc(CNC(=O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000063471061 823674319 /nfs/dbraw/zinc/67/43/19/823674319.db2.gz TWLJPSAVRQDNJL-UHFFFAOYSA-N 1 1 380.438 4.269 20 0 GIADMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000125448216 823677035 /nfs/dbraw/zinc/67/70/35/823677035.db2.gz UGVIQBJJUNEBFJ-UHFFFAOYSA-N 1 1 397.441 4.102 20 0 GIADMO Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c(C)c1 ZINC000125456272 823677714 /nfs/dbraw/zinc/67/77/14/823677714.db2.gz RZQCGMVRSUWHNS-UHFFFAOYSA-N 1 1 394.441 4.172 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2ccc(Br)o2)C[C@H](C)O1 ZINC000191392343 823679944 /nfs/dbraw/zinc/67/99/44/823679944.db2.gz AJFCRGOOZAUYKA-OKILXGFUSA-N 1 1 379.298 4.263 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2ccc(Br)o2)C[C@H](C)O1 ZINC000191392343 823679946 /nfs/dbraw/zinc/67/99/46/823679946.db2.gz AJFCRGOOZAUYKA-OKILXGFUSA-N 1 1 379.298 4.263 20 0 GIADMO CC[C@H](C(=O)N1CC2(CCOCC2)[C@H]1c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000412751242 823680782 /nfs/dbraw/zinc/68/07/82/823680782.db2.gz ZAUXHROINIRPHB-DHIUTWEWSA-N 1 1 392.543 4.277 20 0 GIADMO CC(C)[C@H]1N(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC12CCOCC2 ZINC000412759395 823681478 /nfs/dbraw/zinc/68/14/78/823681478.db2.gz TWIIZDNULAREOS-TZIWHRDSSA-N 1 1 399.579 4.157 20 0 GIADMO Cc1ccc(CCCCC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000063597380 823682142 /nfs/dbraw/zinc/68/21/42/823682142.db2.gz QFCZVGDRFUYXRT-UHFFFAOYSA-N 1 1 380.532 4.221 20 0 GIADMO COc1ccc([C@H](C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)N2CCCCC2)cc1 ZINC000125518547 823682390 /nfs/dbraw/zinc/68/23/90/823682390.db2.gz SMSJNUYIJGITEK-XZOQPEGZSA-N 1 1 390.531 4.325 20 0 GIADMO CC(C)[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccc(-c2cccc(F)c2)s1 ZINC000063614880 823683394 /nfs/dbraw/zinc/68/33/94/823683394.db2.gz NXONKIPEFPXJHS-UHFFFAOYSA-N 1 1 388.430 4.443 20 0 GIADMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000125536372 823683396 /nfs/dbraw/zinc/68/33/96/823683396.db2.gz IICIXEAZWHNKHC-UHFFFAOYSA-N 1 1 395.322 4.067 20 0 GIADMO CCCC1CCC([N@@H+](C)Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)CC1 ZINC000191420714 823683392 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380.517 4.008 20 0 GIADMO Brc1cccc2c(NCc3ccc(Cn4cncn4)cc3)cc[nH+]c12 ZINC000574438733 823729167 /nfs/dbraw/zinc/72/91/67/823729167.db2.gz BLYQFNKFILBGSP-UHFFFAOYSA-N 1 1 394.276 4.249 20 0 GIADMO Fc1ccc(OC2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cn1 ZINC000191678002 823729959 /nfs/dbraw/zinc/72/99/59/823729959.db2.gz GBPDOKYANLSUAV-UHFFFAOYSA-N 1 1 386.858 4.103 20 0 GIADMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000063994948 823731176 /nfs/dbraw/zinc/73/11/76/823731176.db2.gz YPTZEHRYZLYDBB-UHFFFAOYSA-N 1 1 377.488 4.201 20 0 GIADMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000063994948 823731185 /nfs/dbraw/zinc/73/11/85/823731185.db2.gz YPTZEHRYZLYDBB-UHFFFAOYSA-N 1 1 377.488 4.201 20 0 GIADMO C[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000064031223 823737910 /nfs/dbraw/zinc/73/79/10/823737910.db2.gz YULMYZOYORIEEF-UHFFFAOYSA-N 1 1 389.414 4.140 20 0 GIADMO C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000064031223 823737918 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COc1ccc(OCc2ccccn2)c(C[N@H+](C)Cc2ccc(O)c(OC)c2)c1 ZINC000125951307 823751695 /nfs/dbraw/zinc/75/16/95/823751695.db2.gz PQAGLXNYJQKBOH-UHFFFAOYSA-N 1 1 394.471 4.015 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)Cc2ccc(O)c(OC)c2)c1 ZINC000125951307 823751701 /nfs/dbraw/zinc/75/17/01/823751701.db2.gz PQAGLXNYJQKBOH-UHFFFAOYSA-N 1 1 394.471 4.015 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000125952075 823751787 /nfs/dbraw/zinc/75/17/87/823751787.db2.gz LNCJHDMYEDYFPJ-KSSFIOAISA-N 1 1 383.964 4.022 20 0 GIADMO C[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1cccc(Br)c1 ZINC000461915197 823752310 /nfs/dbraw/zinc/75/23/10/823752310.db2.gz DVXLVRQWCTXDFF-CVEARBPZSA-N 1 1 381.358 4.323 20 0 GIADMO Cc1nc(CN2CC[NH+]([C@@H](C)c3ccc(OC(F)(F)F)cc3)CC2)cs1 ZINC000064140443 823753290 /nfs/dbraw/zinc/75/32/90/823753290.db2.gz MEIUKDWQYNBCCF-ZDUSSCGKSA-N 1 1 385.455 4.229 20 0 GIADMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000064142718 823753944 /nfs/dbraw/zinc/75/39/44/823753944.db2.gz RHAFZBFRFKXAFE-LBPRGKRZSA-N 1 1 392.290 4.157 20 0 GIADMO Cn1nccc1[C@@H]1C[C@H](Nc2cc[nH+]c3cc(Br)ccc23)CCO1 ZINC000574519834 823754069 /nfs/dbraw/zinc/75/40/69/823754069.db2.gz QWBTVXXXXLGZFC-ACJLOTCBSA-N 1 1 387.281 4.063 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000461922270 823756666 /nfs/dbraw/zinc/75/66/66/823756666.db2.gz OXCYTPOJXJKYHB-UHFFFAOYSA-N 1 1 375.472 4.228 20 0 GIADMO OC[C@@]1(c2ccccc2)CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000461923411 823757503 /nfs/dbraw/zinc/75/75/03/823757503.db2.gz ZRZNHBUNBFXTPT-HXUWFJFHSA-N 1 1 383.289 4.138 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000574536957 823758007 /nfs/dbraw/zinc/75/80/07/823758007.db2.gz XGCVMXPXQLWMQL-UXHICEINSA-N 1 1 380.536 4.328 20 0 GIADMO COc1cc(F)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000163894574 823758094 /nfs/dbraw/zinc/75/80/94/823758094.db2.gz SAYHWICXFAJOPM-HNNXBMFYSA-N 1 1 386.467 4.327 20 0 GIADMO O=C(Nc1cc(F)ccc1OCC1CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000191755728 823758353 /nfs/dbraw/zinc/75/83/53/823758353.db2.gz FRTLLOHALBBEHK-UHFFFAOYSA-N 1 1 375.488 4.097 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000461928496 823760992 /nfs/dbraw/zinc/76/09/92/823760992.db2.gz MYJWJJKLTRDGME-OLZOCXBDSA-N 1 1 396.304 4.039 20 0 GIADMO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CC(F)(F)F ZINC000413370053 823761490 /nfs/dbraw/zinc/76/14/90/823761490.db2.gz VKVLCAXTMFKZQU-RYRKJORJSA-N 1 1 385.474 4.317 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1NC(=O)Cc1cccs1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413384985 823765190 /nfs/dbraw/zinc/76/51/90/823765190.db2.gz GDBSDVYQBHHVPY-OWCLPIDISA-N 1 1 385.533 4.129 20 0 GIADMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1Cl ZINC000574577112 823770926 /nfs/dbraw/zinc/77/09/26/823770926.db2.gz NOZKHYUCZFUTSZ-LBPRGKRZSA-N 1 1 387.954 4.443 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(CN2[C@@H]3CC[C@H]2CC[N@H+](C)C3)on1 ZINC000574581760 823771399 /nfs/dbraw/zinc/77/13/99/823771399.db2.gz QJUSHYZQDPLZTL-ZWKOTPCHSA-N 1 1 377.488 4.172 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCC=C(F)C1 ZINC000461964170 823774284 /nfs/dbraw/zinc/77/42/84/823774284.db2.gz IHHBEBRMKHNDHE-UHFFFAOYSA-N 1 1 386.298 4.227 20 0 GIADMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000191806076 823775115 /nfs/dbraw/zinc/77/51/15/823775115.db2.gz NWLQJHYJIACZLN-NVXWUHKLSA-N 1 1 391.334 4.470 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc4ccoc4c3)CC2)oc1C ZINC000574594713 823775415 /nfs/dbraw/zinc/77/54/15/823775415.db2.gz AIOLDGSKOIXGTE-UHFFFAOYSA-N 1 1 382.464 4.071 20 0 GIADMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N(Cc1ccccc1)CC1CCC1 ZINC000064240103 823778724 /nfs/dbraw/zinc/77/87/24/823778724.db2.gz WQXCQBJCBFPDLM-UHFFFAOYSA-N 1 1 399.579 4.033 20 0 GIADMO CC[C@H](CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413446281 823779705 /nfs/dbraw/zinc/77/97/05/823779705.db2.gz YQCIRUAEGCWHFW-BQFCYCMXSA-N 1 1 385.474 4.175 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)cn1 ZINC000126105623 823789269 /nfs/dbraw/zinc/78/92/69/823789269.db2.gz DBBZNVVXOFXOJD-QGZVFWFLSA-N 1 1 391.519 4.130 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000461999094 823789613 /nfs/dbraw/zinc/78/96/13/823789613.db2.gz BJZGQLDSCHNLNZ-NQIIRXRSSA-N 1 1 382.552 4.225 20 0 GIADMO COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000064316915 823790191 /nfs/dbraw/zinc/79/01/91/823790191.db2.gz WFLVQUQKFVXYJR-QGZVFWFLSA-N 1 1 386.517 4.002 20 0 GIADMO O=C(N1CCc2sccc2C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000064317155 823790210 /nfs/dbraw/zinc/79/02/10/823790210.db2.gz XYGUISOXXMGJAH-IBGZPJMESA-N 1 1 394.462 4.087 20 0 GIADMO Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000191838611 823792401 /nfs/dbraw/zinc/79/24/01/823792401.db2.gz ZXMUUFQVFYSNMF-ZWOKBUDYSA-N 1 1 381.520 4.461 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000462007347 823792718 /nfs/dbraw/zinc/79/27/18/823792718.db2.gz FONWBKUYEZPMHJ-YLJYHZDGSA-N 1 1 385.556 4.023 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC ZINC000462007345 823792766 /nfs/dbraw/zinc/79/27/66/823792766.db2.gz FONWBKUYEZPMHJ-XLIONFOSSA-N 1 1 385.556 4.023 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000164285338 823792837 /nfs/dbraw/zinc/79/28/37/823792837.db2.gz DQTRZQSVIRPAKL-ICSRJNTNSA-N 1 1 394.515 4.434 20 0 GIADMO CSCC[C@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)c1nnc2ccccn21 ZINC000164292935 823793609 /nfs/dbraw/zinc/79/36/09/823793609.db2.gz CVBASGIOEDRMQW-PBHICJAKSA-N 1 1 387.528 4.079 20 0 GIADMO CSCC[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)c1nnc2ccccn21 ZINC000164298678 823794276 /nfs/dbraw/zinc/79/42/76/823794276.db2.gz MEZZLSWBSXMFKN-CZUORRHYSA-N 1 1 392.475 4.476 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1cnccn1 ZINC000164328447 823796262 /nfs/dbraw/zinc/79/62/62/823796262.db2.gz CWMXXDTXNUZNSK-MRXNPFEDSA-N 1 1 383.879 4.439 20 0 GIADMO C[C@@H]([NH2+]Cc1cncn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000126150814 823800426 /nfs/dbraw/zinc/80/04/26/823800426.db2.gz PFVPPQRLADMYCN-LLVKDONJSA-N 1 1 377.311 4.157 20 0 GIADMO C[N@@H+](CCNC(=O)Nc1ccccc1CCC(F)(F)F)Cc1ccccc1 ZINC000126179488 823806577 /nfs/dbraw/zinc/80/65/77/823806577.db2.gz MULWJTGWFMKNSL-UHFFFAOYSA-N 1 1 379.426 4.435 20 0 GIADMO COc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)c(OC)c1OC ZINC000164526624 823807268 /nfs/dbraw/zinc/80/72/68/823807268.db2.gz KRDDORZCOCNPIU-MRXNPFEDSA-N 1 1 377.868 4.369 20 0 GIADMO C[C@H]([NH2+]Cc1cnn(C)c1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000126184645 823807472 /nfs/dbraw/zinc/80/74/72/823807472.db2.gz IBNMEUVZXMXYSL-NSHDSACASA-N 1 1 377.311 4.157 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462040236 823807561 /nfs/dbraw/zinc/80/75/61/823807561.db2.gz MBFBLECUHFLPOO-PZPSRYQVSA-N 1 1 384.351 4.426 20 0 GIADMO COc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)c(OC)c1OC ZINC000164561596 823808734 /nfs/dbraw/zinc/80/87/34/823808734.db2.gz QKKRHJAAUWWXOC-INIZCTEOSA-N 1 1 375.440 4.244 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCCCC[C@@H]3[C@@H]3CCCCC3=O)CC2)[nH+]c1 ZINC000164572827 823809386 /nfs/dbraw/zinc/80/93/86/823809386.db2.gz YYRAIAFILGRLEJ-LEWJYISDSA-N 1 1 397.563 4.137 20 0 GIADMO CC[C@H](NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000413651105 823810834 /nfs/dbraw/zinc/81/08/34/823810834.db2.gz FXHWLIGZQLHHJG-VXKWHMMOSA-N 1 1 380.536 4.229 20 0 GIADMO Cc1c2cc(Br)ccc2oc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000164605519 823811778 /nfs/dbraw/zinc/81/17/78/823811778.db2.gz COSFEHYTMUSKTE-BBRMVZONSA-N 1 1 391.309 4.060 20 0 GIADMO Cc1cc(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)cc(N2CCCC2)[nH+]1 ZINC000574731856 823812886 /nfs/dbraw/zinc/81/28/86/823812886.db2.gz MMYDOSWTAGFZDD-UHFFFAOYSA-N 1 1 381.373 4.078 20 0 GIADMO C[N@@H+]1CCN(C(=O)N[C@H]2CCc3sc(Cl)cc32)[C@H](c2ccccc2)C1 ZINC000462053820 823814147 /nfs/dbraw/zinc/81/41/47/823814147.db2.gz MYGYOEWFNKPMCA-HOTGVXAUSA-N 1 1 375.925 4.087 20 0 GIADMO C[N@H+]1CCN(C(=O)N[C@H]2CCc3sc(Cl)cc32)[C@H](c2ccccc2)C1 ZINC000462053820 823814156 /nfs/dbraw/zinc/81/41/56/823814156.db2.gz MYGYOEWFNKPMCA-HOTGVXAUSA-N 1 1 375.925 4.087 20 0 GIADMO C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462055717 823814603 /nfs/dbraw/zinc/81/46/03/823814603.db2.gz QORGDNNIGNQUBZ-UKRRQHHQSA-N 1 1 397.332 4.215 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(Cn3cc(C(F)(F)F)cc(Cl)c3=S)CC[C@@H]21 ZINC000164654360 823814820 /nfs/dbraw/zinc/81/48/20/823814820.db2.gz DJWPHUDQKGXNPM-FZMZJTMJSA-N 1 1 379.879 4.263 20 0 GIADMO CCC[N@H+](CCc1c(C)noc1C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000164756502 823818732 /nfs/dbraw/zinc/81/87/32/823818732.db2.gz LYTMLJAXIPCGJC-UHFFFAOYSA-N 1 1 384.307 4.491 20 0 GIADMO CCC[N@@H+](CCc1c(C)noc1C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000164756502 823818741 /nfs/dbraw/zinc/81/87/41/823818741.db2.gz LYTMLJAXIPCGJC-UHFFFAOYSA-N 1 1 384.307 4.491 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2O)CC1 ZINC000064448170 823820585 /nfs/dbraw/zinc/82/05/85/823820585.db2.gz FPZLQXSMQUQXAE-UHFFFAOYSA-N 1 1 392.421 4.148 20 0 GIADMO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)ccn2)C1 ZINC000462075294 823820847 /nfs/dbraw/zinc/82/08/47/823820847.db2.gz FRSKXPAZQZHKCQ-HKBOAZHASA-N 1 1 398.595 4.045 20 0 GIADMO C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)c1cncc(Br)c1 ZINC000574770400 823822359 /nfs/dbraw/zinc/82/23/59/823822359.db2.gz KKFVUOPAJYXESY-ZDUSSCGKSA-N 1 1 376.298 4.411 20 0 GIADMO Cc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773488 823822932 /nfs/dbraw/zinc/82/29/32/823822932.db2.gz JGIJJNDLEMIQKO-JOCHJYFZSA-N 1 1 388.559 4.349 20 0 GIADMO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773488 823822933 /nfs/dbraw/zinc/82/29/33/823822933.db2.gz JGIJJNDLEMIQKO-JOCHJYFZSA-N 1 1 388.559 4.349 20 0 GIADMO C[N@@H+](CCCNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)C1CCCCC1 ZINC000064487755 823829166 /nfs/dbraw/zinc/82/91/66/823829166.db2.gz SBASWMPPTZTLSW-OALUTQOASA-N 1 1 393.369 4.323 20 0 GIADMO Fc1ccc([C@H]2OCC[C@@H]2NC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000126295001 823832596 /nfs/dbraw/zinc/83/25/96/823832596.db2.gz DQKFINHQZKVRJP-XZOQPEGZSA-N 1 1 386.486 4.092 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1 ZINC000165088631 823833665 /nfs/dbraw/zinc/83/36/65/823833665.db2.gz DWTMKEUQPXXAJR-QGZVFWFLSA-N 1 1 396.560 4.118 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)CN(C)c1cc[nH+]c2ccsc21 ZINC000462124545 823836907 /nfs/dbraw/zinc/83/69/07/823836907.db2.gz VXIFNUMTWNTRHG-UHFFFAOYSA-N 1 1 390.306 4.442 20 0 GIADMO CC(C)OCc1cccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064533664 823838260 /nfs/dbraw/zinc/83/82/60/823838260.db2.gz BKLRQMBGBFKDBN-HDICACEKSA-N 1 1 375.557 4.490 20 0 GIADMO CC(C)[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1cccc(C(F)(F)F)c1 ZINC000462137889 823841561 /nfs/dbraw/zinc/84/15/61/823841561.db2.gz JXWOXKFZFWOEBJ-SFHVURJKSA-N 1 1 395.425 4.416 20 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823846179 /nfs/dbraw/zinc/84/61/79/823846179.db2.gz MUOXKNLNJWVONN-UHFFFAOYSA-N 1 1 389.952 4.454 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)c2noc(Cc3ccccc3)n2)C1 ZINC000165409515 823848140 /nfs/dbraw/zinc/84/81/40/823848140.db2.gz MRTAFKMXQQCUOB-UEXGIBASSA-N 1 1 376.504 4.147 20 0 GIADMO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1-c1ccccn1 ZINC000462160503 823849165 /nfs/dbraw/zinc/84/91/65/823849165.db2.gz UYBOWMGCAZEVEL-MHECFPHRSA-N 1 1 385.511 4.307 20 0 GIADMO CC(C)c1nn(C)c2sc(C(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)cc12 ZINC000462173035 823853588 /nfs/dbraw/zinc/85/35/88/823853588.db2.gz ZRTHDECOJIUAIC-QAPCUYQASA-N 1 1 396.560 4.009 20 0 GIADMO CC(C)[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)Cc1ccccn1 ZINC000064629382 823854396 /nfs/dbraw/zinc/85/43/96/823854396.db2.gz OYIHFGCDHZVPKN-UHFFFAOYSA-N 1 1 383.511 4.059 20 0 GIADMO CC(C)[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)Cc1ccccn1 ZINC000064629382 823854404 /nfs/dbraw/zinc/85/44/04/823854404.db2.gz 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ZINC000462224541 823880945 /nfs/dbraw/zinc/88/09/45/823880945.db2.gz NDRYYKDWBWUEIS-JPYJTQIMSA-N 1 1 392.547 4.372 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)co2)cc1 ZINC000166720049 823881963 /nfs/dbraw/zinc/88/19/63/823881963.db2.gz HIKQCRMEBVSUOD-HOTGVXAUSA-N 1 1 384.423 4.067 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)co2)cc1 ZINC000166720049 823881969 /nfs/dbraw/zinc/88/19/69/823881969.db2.gz HIKQCRMEBVSUOD-HOTGVXAUSA-N 1 1 384.423 4.067 20 0 GIADMO COc1ccc([C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C(C)C)c(Br)c1 ZINC000574995007 823882042 /nfs/dbraw/zinc/88/20/42/823882042.db2.gz SLUSAWIBGXJZOI-KPZWWZAWSA-N 1 1 378.314 4.025 20 0 GIADMO COc1cccc([C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(F)ccc2OC)c1 ZINC000166756895 823882518 /nfs/dbraw/zinc/88/25/18/823882518.db2.gz ZOWYQLCFQAFYLW-PWHSHALESA-N 1 1 384.495 4.149 20 0 GIADMO Cc1nc(-c2ccccc2)c(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)s1 ZINC000574997280 823882632 /nfs/dbraw/zinc/88/26/32/823882632.db2.gz NJFVIUMOHQCRFK-QRWLVFNGSA-N 1 1 382.489 4.094 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc(Br)c2)C1 ZINC000462228971 823883134 /nfs/dbraw/zinc/88/31/34/823883134.db2.gz CEEWLLLYMBIENT-CVEARBPZSA-N 1 1 381.358 4.037 20 0 GIADMO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(OCC2CC2)c1 ZINC000166913274 823883996 /nfs/dbraw/zinc/88/39/96/823883996.db2.gz IQOMWGGSXNCBSC-OAHLLOKOSA-N 1 1 391.508 4.177 20 0 GIADMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(OCC2CC2)c1 ZINC000166913158 823884042 /nfs/dbraw/zinc/88/40/42/823884042.db2.gz IQOMWGGSXNCBSC-HNNXBMFYSA-N 1 1 391.508 4.177 20 0 GIADMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccncc1C(F)(F)F ZINC000192158715 823884817 /nfs/dbraw/zinc/88/48/17/823884817.db2.gz USSQEXGPXDGDID-KRWDZBQOSA-N 1 1 397.828 4.321 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)cc1NC(C)=O ZINC000126504194 823885803 /nfs/dbraw/zinc/88/58/03/823885803.db2.gz CNCJXVCMGKSQME-LLVKDONJSA-N 1 1 395.272 4.406 20 0 GIADMO CC[N@H+]1CC[C@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1 ZINC000414004511 823887571 /nfs/dbraw/zinc/88/75/71/823887571.db2.gz JCBAMGPBFVFTCE-INIZCTEOSA-N 1 1 397.569 4.292 20 0 GIADMO CCC(CC)[N@@H+](CCOC)Cc1nc(-c2cc(Br)cs2)no1 ZINC000064807008 823888396 /nfs/dbraw/zinc/88/83/96/823888396.db2.gz OBPBTUQGEFFIKX-UHFFFAOYSA-N 1 1 388.331 4.198 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000462237932 823889519 /nfs/dbraw/zinc/88/95/19/823889519.db2.gz AANBSNHBCNPBLC-HXUWFJFHSA-N 1 1 381.520 4.288 20 0 GIADMO O=C(c1cc2sccc2[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000192175094 823891699 /nfs/dbraw/zinc/89/16/99/823891699.db2.gz NIZASSWPQOSEON-XLIONFOSSA-N 1 1 379.529 4.356 20 0 GIADMO C[C@H]1C[C@@H](c2nc(Cc3c[nH]c4cccc(Br)c34)no2)CC[N@H+]1C ZINC000575029381 823893131 /nfs/dbraw/zinc/89/31/31/823893131.db2.gz DGBJYZFCSHWHRU-RYUDHWBXSA-N 1 1 389.297 4.102 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccnc1Cl ZINC000167791804 823895126 /nfs/dbraw/zinc/89/51/26/823895126.db2.gz SNHZGYUGAGQGOR-KGLIPLIRSA-N 1 1 377.891 4.247 20 0 GIADMO C[C@@H]([NH2+]CC(C)(C)N[C@@H](C)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000167862328 823896986 /nfs/dbraw/zinc/89/69/86/823896986.db2.gz ZQNIBQDWINICLE-CVEARBPZSA-N 1 1 392.540 4.009 20 0 GIADMO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167903871 823898174 /nfs/dbraw/zinc/89/81/74/823898174.db2.gz LQWJZFHZWUNCCS-LPHOPBHVSA-N 1 1 398.555 4.461 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000414065019 823898965 /nfs/dbraw/zinc/89/89/65/823898965.db2.gz OCEWHRRFAKLXNE-HZPDHXFCSA-N 1 1 387.549 4.012 20 0 GIADMO CC[NH+](CC)[C@H](c1nc(-c2ncc(C)cn2)no1)c1cccc(C(F)(F)F)c1 ZINC000575050788 823899518 /nfs/dbraw/zinc/89/95/18/823899518.db2.gz XIRBTSVLFPEIKC-HNNXBMFYSA-N 1 1 391.397 4.285 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000462252464 823899666 /nfs/dbraw/zinc/89/96/66/823899666.db2.gz KLHPHHNEDDRDTF-HXUWFJFHSA-N 1 1 381.520 4.146 20 0 GIADMO CCOc1ccc(Oc2cc(C[NH2+][C@@H](C)c3cc4n(n3)CCC4)ccn2)cc1 ZINC000414068906 823900994 /nfs/dbraw/zinc/90/09/94/823900994.db2.gz KCRFZEQFSCSYQY-INIZCTEOSA-N 1 1 378.476 4.266 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@H](C)c2cc3n(n2)CCC3)ccc1OCc1ccncc1 ZINC000414075701 823902730 /nfs/dbraw/zinc/90/27/30/823902730.db2.gz PJTLHTTUQINCOB-DLBZAZTESA-N 1 1 392.503 4.224 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cc1NC(C)=O ZINC000168592123 823904212 /nfs/dbraw/zinc/90/42/12/823904212.db2.gz RWVHDGNQOJDNSE-OLZOCXBDSA-N 1 1 390.455 4.222 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1C(F)(F)F ZINC000192213317 823904814 /nfs/dbraw/zinc/90/48/14/823904814.db2.gz GBDBMIPKORPIFI-ALOPSCKCSA-N 1 1 389.421 4.026 20 0 GIADMO C[N@H+](CC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)Cc1ccccc1 ZINC000126581794 823905070 /nfs/dbraw/zinc/90/50/70/823905070.db2.gz RECFASLVQUDCAX-JOCHJYFZSA-N 1 1 379.891 4.073 20 0 GIADMO C[N@@H+](CC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)Cc1ccccc1 ZINC000126581794 823905079 /nfs/dbraw/zinc/90/50/79/823905079.db2.gz RECFASLVQUDCAX-JOCHJYFZSA-N 1 1 379.891 4.073 20 0 GIADMO C[N@H+](CC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)Cc1ccccc1 ZINC000126581593 823905192 /nfs/dbraw/zinc/90/51/92/823905192.db2.gz RECFASLVQUDCAX-QFIPXVFZSA-N 1 1 379.891 4.073 20 0 GIADMO C[N@@H+](CC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)Cc1ccccc1 ZINC000126581593 823905195 /nfs/dbraw/zinc/90/51/95/823905195.db2.gz RECFASLVQUDCAX-QFIPXVFZSA-N 1 1 379.891 4.073 20 0 GIADMO C[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000575077952 823905618 /nfs/dbraw/zinc/90/56/18/823905618.db2.gz XBPQKFVDUXRYTP-NPPFBWRTSA-N 1 1 398.572 4.121 20 0 GIADMO CC(C)Sc1ccccc1C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000064881624 823906097 /nfs/dbraw/zinc/90/60/97/823906097.db2.gz BIIMKVHEYJRWDR-IBGZPJMESA-N 1 1 397.588 4.128 20 0 GIADMO Cc1cc(CNC(=O)N(Cc2ccc(F)cc2)C(C)C)cc(N2CCCC2)[nH+]1 ZINC000462266307 823906096 /nfs/dbraw/zinc/90/60/96/823906096.db2.gz FFPLBMZDMQVRJB-UHFFFAOYSA-N 1 1 384.499 4.250 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2CCc3cc(Cl)ccc3C2)cc1)[NH+]1CCOCC1 ZINC000192218334 823906660 /nfs/dbraw/zinc/90/66/60/823906660.db2.gz XJHYWVGLORHWAB-MRXNPFEDSA-N 1 1 399.922 4.323 20 0 GIADMO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000168984924 823907545 /nfs/dbraw/zinc/90/75/45/823907545.db2.gz KAYBEBILNJAXOS-UNMCSNQZSA-N 1 1 392.547 4.271 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462270672 823907977 /nfs/dbraw/zinc/90/79/77/823907977.db2.gz UXFUXSMGGBXONF-GOSISDBHSA-N 1 1 384.549 4.271 20 0 GIADMO c1cc(-c2ccccc2)oc1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000575095726 823911319 /nfs/dbraw/zinc/91/13/19/823911319.db2.gz SCSZCCQUIFXDDS-UHFFFAOYSA-N 1 1 391.515 4.066 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000575102297 823912921 /nfs/dbraw/zinc/91/29/21/823912921.db2.gz HUGNNOXFIDSVCB-QFIPXVFZSA-N 1 1 377.488 4.201 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000575102297 823912930 /nfs/dbraw/zinc/91/29/30/823912930.db2.gz HUGNNOXFIDSVCB-QFIPXVFZSA-N 1 1 377.488 4.201 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C/C=C\c2ccc(Br)cc2)s1 ZINC000414146512 823918442 /nfs/dbraw/zinc/91/84/42/823918442.db2.gz LLKNKHMAEGLHFI-DLRQAJBASA-N 1 1 381.295 4.056 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C(=O)N1Cc2ccccc2C1 ZINC000414160323 823920689 /nfs/dbraw/zinc/92/06/89/823920689.db2.gz ZMVCWBURGIIULL-JKSUJKDBSA-N 1 1 377.513 4.392 20 0 GIADMO FC(F)(F)c1ccc(CN2CCC[N@@H+](CCCc3ccncc3)CC2)cc1 ZINC000462311584 823920776 /nfs/dbraw/zinc/92/07/76/823920776.db2.gz IOGUTIRZOBIYJV-UHFFFAOYSA-N 1 1 377.454 4.241 20 0 GIADMO FC(F)(F)c1ccc(C[N@@H+]2CCCN(CCCc3ccncc3)CC2)cc1 ZINC000462311584 823920788 /nfs/dbraw/zinc/92/07/88/823920788.db2.gz IOGUTIRZOBIYJV-UHFFFAOYSA-N 1 1 377.454 4.241 20 0 GIADMO FC(F)(F)c1ccc(C[N@H+]2CCCN(CCCc3ccncc3)CC2)cc1 ZINC000462311584 823920795 /nfs/dbraw/zinc/92/07/95/823920795.db2.gz IOGUTIRZOBIYJV-UHFFFAOYSA-N 1 1 377.454 4.241 20 0 GIADMO O=C(c1ccoc1Cl)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000192262335 823921595 /nfs/dbraw/zinc/92/15/95/823921595.db2.gz FMBZUGBPIJCYPH-UHFFFAOYSA-N 1 1 386.801 4.300 20 0 GIADMO O=C(c1ccoc1Cl)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000192262335 823921600 /nfs/dbraw/zinc/92/16/00/823921600.db2.gz FMBZUGBPIJCYPH-UHFFFAOYSA-N 1 1 386.801 4.300 20 0 GIADMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000064995304 823922599 /nfs/dbraw/zinc/92/25/99/823922599.db2.gz PADAYHWBZRWYAP-XLIONFOSSA-N 1 1 398.551 4.377 20 0 GIADMO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000126666875 823922689 /nfs/dbraw/zinc/92/26/89/823922689.db2.gz DGTICNVRWOSCBW-GJZGRUSLSA-N 1 1 390.572 4.317 20 0 GIADMO C[C@H]([NH2+]Cc1ccc2cncn2c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414176192 823923507 /nfs/dbraw/zinc/92/35/07/823923507.db2.gz HFEGIVJVMIFYMG-OXJNMPFZSA-N 1 1 383.467 4.272 20 0 GIADMO COc1ccc(CCC(=O)N2CCC[N@H+]([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000170646367 823924678 /nfs/dbraw/zinc/92/46/78/823924678.db2.gz IKEIJTBKRZWVQW-GOSISDBHSA-N 1 1 384.495 4.062 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CCN3)C1 ZINC000575154310 823925859 /nfs/dbraw/zinc/92/58/59/823925859.db2.gz GFQNBVAQNYUHNR-KRWDZBQOSA-N 1 1 378.520 4.208 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccccc2Br)C1 ZINC000575159284 823926635 /nfs/dbraw/zinc/92/66/35/823926635.db2.gz UXTWKIGRKYYBHR-IBGZPJMESA-N 1 1 378.285 4.015 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000170648196 823926706 /nfs/dbraw/zinc/92/67/06/823926706.db2.gz RZJPZWAXQQAXNZ-AWEZNQCLSA-N 1 1 391.512 4.296 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000170648196 823926713 /nfs/dbraw/zinc/92/67/13/823926713.db2.gz RZJPZWAXQQAXNZ-AWEZNQCLSA-N 1 1 391.512 4.296 20 0 GIADMO FC(F)c1c(-c2nc(CCCc3ccsc3)no2)cnn1-c1cc[nH+]cc1 ZINC000575161283 823927416 /nfs/dbraw/zinc/92/74/16/823927416.db2.gz NHFBFBBAFSPVIP-UHFFFAOYSA-N 1 1 387.415 4.492 20 0 GIADMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000575164149 823928456 /nfs/dbraw/zinc/92/84/56/823928456.db2.gz WPOKYKOIFBTZPP-SFKIGLBJSA-N 1 1 378.516 4.133 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1F ZINC000126691581 823928654 /nfs/dbraw/zinc/92/86/54/823928654.db2.gz FRYKGFCLRLSWKH-CVEARBPZSA-N 1 1 389.490 4.137 20 0 GIADMO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)CCC2 ZINC000126735438 823938617 /nfs/dbraw/zinc/93/86/17/823938617.db2.gz SGOAEWWZMRCVMJ-RDTXWAMCSA-N 1 1 388.556 4.071 20 0 GIADMO CN(CCc1ccncc1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000170685459 823938741 /nfs/dbraw/zinc/93/87/41/823938741.db2.gz MAIJVDVGAGCQNU-UHFFFAOYSA-N 1 1 394.563 4.230 20 0 GIADMO CCCCOc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c(C)c1 ZINC000065104841 823943057 /nfs/dbraw/zinc/94/30/57/823943057.db2.gz DNNUVJHSJVMIIJ-UHFFFAOYSA-N 1 1 395.547 4.174 20 0 GIADMO Cc1cn(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c2ccccc12 ZINC000065115013 823945529 /nfs/dbraw/zinc/94/55/29/823945529.db2.gz VFIHXNMCHRMOBZ-UHFFFAOYSA-N 1 1 382.533 4.421 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nc2ccccc12 ZINC000170719802 823952900 /nfs/dbraw/zinc/95/29/00/823952900.db2.gz RHMNJGKZKBMRBP-QGZVFWFLSA-N 1 1 384.524 4.017 20 0 GIADMO Cc1nc(C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nc2ccccc12 ZINC000170719802 823952904 /nfs/dbraw/zinc/95/29/04/823952904.db2.gz RHMNJGKZKBMRBP-QGZVFWFLSA-N 1 1 384.524 4.017 20 0 GIADMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000126793963 823953011 /nfs/dbraw/zinc/95/30/11/823953011.db2.gz LJFBVTURVVHYGJ-CYBMUJFWSA-N 1 1 388.886 4.314 20 0 GIADMO Cc1ccc(C[N@@H+](CC(=O)Nc2ccccc2C(=O)NC(C)C)C(C)C)s1 ZINC000065161785 823955113 /nfs/dbraw/zinc/95/51/13/823955113.db2.gz BUDBUUPVVGCOKT-UHFFFAOYSA-N 1 1 387.549 4.044 20 0 GIADMO Cc1ccc(C[N@H+](CC(=O)Nc2ccccc2C(=O)NC(C)C)C(C)C)s1 ZINC000065161785 823955120 /nfs/dbraw/zinc/95/51/20/823955120.db2.gz BUDBUUPVVGCOKT-UHFFFAOYSA-N 1 1 387.549 4.044 20 0 GIADMO C[N@H+]1CCC[C@H]1CCSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000126823419 823959576 /nfs/dbraw/zinc/95/95/76/823959576.db2.gz BHQRFRHLWVPVMO-KRWDZBQOSA-N 1 1 398.532 4.075 20 0 GIADMO Cn1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)c2ccc(Cl)cc2)n1 ZINC000414340282 823961314 /nfs/dbraw/zinc/96/13/14/823961314.db2.gz GSKAVIRSOBURRI-NQIIRXRSSA-N 1 1 384.886 4.171 20 0 GIADMO CN(C)c1[nH+]cc(CN[C@H](c2cc(F)ccc2F)c2ccccc2Cl)n1C ZINC000414357211 823963904 /nfs/dbraw/zinc/96/39/04/823963904.db2.gz IODWPUSCRFSPRD-IBGZPJMESA-N 1 1 390.865 4.297 20 0 GIADMO Cc1cc(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)ccc1C(F)(F)F ZINC000414364497 823966376 /nfs/dbraw/zinc/96/63/76/823966376.db2.gz YQCLDDKGLSLKBH-LJQANCHMSA-N 1 1 391.437 4.076 20 0 GIADMO CS(=O)(=O)c1ccc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)s1 ZINC000414368478 823966957 /nfs/dbraw/zinc/96/69/57/823966957.db2.gz GYWFKJDQIPFXPK-UHFFFAOYSA-N 1 1 381.538 4.278 20 0 GIADMO CC(C)c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nn1-c1ccccc1 ZINC000126860675 823968482 /nfs/dbraw/zinc/96/84/82/823968482.db2.gz MMBQILHNFNKXCB-PGRDOPGGSA-N 1 1 392.547 4.085 20 0 GIADMO c1ccc2cc(OCCC[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)ccc2c1 ZINC000170776929 823968649 /nfs/dbraw/zinc/96/86/49/823968649.db2.gz KJFQWUXAVKGXCN-FQEVSTJZSA-N 1 1 376.504 4.026 20 0 GIADMO Cc1occc1C(=O)NC1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000170777818 823969262 /nfs/dbraw/zinc/96/92/62/823969262.db2.gz RDVJWFYURDSSCR-UHFFFAOYSA-N 1 1 397.302 4.168 20 0 GIADMO Cc1ccc2cccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2n1 ZINC000126873552 823971235 /nfs/dbraw/zinc/97/12/35/823971235.db2.gz YBGYJTHIRPAJJE-FRIKZZABSA-N 1 1 385.511 4.469 20 0 GIADMO C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000575505579 823974908 /nfs/dbraw/zinc/97/49/08/823974908.db2.gz UENMUYHZBWCDES-BETUJISGSA-N 1 1 383.370 4.018 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)cc1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170801536 823974878 /nfs/dbraw/zinc/97/48/78/823974878.db2.gz MYUMAPDVJATYEV-QHCPKHFHSA-N 1 1 394.515 4.145 20 0 GIADMO CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000170820013 823979443 /nfs/dbraw/zinc/97/94/43/823979443.db2.gz OFMFMGXSRMPDEK-GOSISDBHSA-N 1 1 393.531 4.034 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000192420763 823983349 /nfs/dbraw/zinc/98/33/49/823983349.db2.gz GCHFTPXQPAPYGU-OAHLLOKOSA-N 1 1 382.346 4.262 20 0 GIADMO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000575737544 823983513 /nfs/dbraw/zinc/98/35/13/823983513.db2.gz FMAWOEUSUQGGOH-INIZCTEOSA-N 1 1 399.897 4.045 20 0 GIADMO Cc1cc(CNCc2ccncc2OCCC[NH+](C)C)ccc1C(F)(F)F ZINC000414447838 823987036 /nfs/dbraw/zinc/98/70/36/823987036.db2.gz YDTQRQJCSUPNLD-UHFFFAOYSA-N 1 1 381.442 4.029 20 0 GIADMO Cc1cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)ccc1C(F)(F)F ZINC000414466310 823990172 /nfs/dbraw/zinc/99/01/72/823990172.db2.gz GXOGAXZTRPCYEJ-LJQANCHMSA-N 1 1 393.453 4.144 20 0 GIADMO O=C(Nc1cccc(C[N@H+]2CCCO[C@@H](CF)C2)c1)c1ccc(Cl)cc1 ZINC000414481807 823992418 /nfs/dbraw/zinc/99/24/18/823992418.db2.gz WPDGMQMAFZENJX-IBGZPJMESA-N 1 1 376.859 4.153 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cnc(CC(C)C)s2)c1 ZINC000414492456 823994825 /nfs/dbraw/zinc/99/48/25/823994825.db2.gz FUUHNLCIMYIGDV-UHFFFAOYSA-N 1 1 386.970 4.078 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cnc(C3CCC3)s2)c1 ZINC000414497993 823995910 /nfs/dbraw/zinc/99/59/10/823995910.db2.gz VKIAAUMQHUARSV-UHFFFAOYSA-N 1 1 384.954 4.147 20 0 GIADMO CCOc1cc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc(Cl)c1OC ZINC000575788319 823995980 /nfs/dbraw/zinc/99/59/80/823995980.db2.gz KVMLIFJNDIYJMO-MRXNPFEDSA-N 1 1 394.899 4.143 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc(Cl)c1OC ZINC000575788319 823995985 /nfs/dbraw/zinc/99/59/85/823995985.db2.gz KVMLIFJNDIYJMO-MRXNPFEDSA-N 1 1 394.899 4.143 20 0 GIADMO c1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4cnc(-c5ccccc5)nc4)C[C@H]3C2)cc1 ZINC000575790626 823996970 /nfs/dbraw/zinc/99/69/70/823996970.db2.gz PZPFTZLQCZTKMR-DNQXCXABSA-N 1 1 384.527 4.098 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cc(C)ccc1Br ZINC000414510663 823998549 /nfs/dbraw/zinc/99/85/49/823998549.db2.gz FGKVLDITBFMGFU-UHFFFAOYSA-N 1 1 380.282 4.073 20 0 GIADMO O=c1[nH]ccc2c1C[N@H+](Cc1coc(-c3ccc(C(F)(F)F)cc3)n1)CC2 ZINC000575811476 824001340 /nfs/dbraw/zinc/00/13/40/824001340.db2.gz CVCUJGKQOOTVGQ-UHFFFAOYSA-N 1 1 375.350 4.019 20 0 GIADMO O=c1[nH]ccc2c1C[N@@H+](Cc1coc(-c3ccc(C(F)(F)F)cc3)n1)CC2 ZINC000575811476 824001346 /nfs/dbraw/zinc/00/13/46/824001346.db2.gz CVCUJGKQOOTVGQ-UHFFFAOYSA-N 1 1 375.350 4.019 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cnc2cc(C)ccn12)C(C)C ZINC000414539149 824005321 /nfs/dbraw/zinc/00/53/21/824005321.db2.gz AVUQPAYJRBZAFR-LJQANCHMSA-N 1 1 399.560 4.015 20 0 GIADMO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575827978 824005656 /nfs/dbraw/zinc/00/56/56/824005656.db2.gz BRJWFPOAKAEWQC-BEFAXECRSA-N 1 1 395.528 4.033 20 0 GIADMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414540500 824005846 /nfs/dbraw/zinc/00/58/46/824005846.db2.gz BSSZFDPXVZUZBF-HSZRJFAPSA-N 1 1 388.515 4.238 20 0 GIADMO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414544073 824006789 /nfs/dbraw/zinc/00/67/89/824006789.db2.gz CWIUNCIJIXQGMU-FQEVSTJZSA-N 1 1 394.563 4.147 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCCc4ccccc43)cc2)C1 ZINC000127057670 824008413 /nfs/dbraw/zinc/00/84/13/824008413.db2.gz QHQRSPGVUFDZGI-LJQANCHMSA-N 1 1 377.532 4.185 20 0 GIADMO Cc1cc(Br)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1Cl ZINC000414548935 824008515 /nfs/dbraw/zinc/00/85/15/824008515.db2.gz LEKMQRHYXYLEIS-HNNXBMFYSA-N 1 1 399.760 4.388 20 0 GIADMO Cc1cc(Br)c(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1Cl ZINC000414548935 824008523 /nfs/dbraw/zinc/00/85/23/824008523.db2.gz LEKMQRHYXYLEIS-HNNXBMFYSA-N 1 1 399.760 4.388 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000414555977 824011161 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395.547 4.238 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3noc4ccc(F)cc43)cc2)C1 ZINC000414921474 824050597 /nfs/dbraw/zinc/05/05/97/824050597.db2.gz BPPPRXDVHAEXKT-OAHLLOKOSA-N 1 1 381.451 4.380 20 0 GIADMO CCC(CC)(CN[C@H](c1nnc[nH]1)c1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC000576023558 824051908 /nfs/dbraw/zinc/05/19/08/824051908.db2.gz VJWGQXDQFVYQOL-NQIIRXRSSA-N 1 1 377.536 4.393 20 0 GIADMO Cn1cccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000192636755 824052891 /nfs/dbraw/zinc/05/28/91/824052891.db2.gz YLSJIILDEYURMS-QGZVFWFLSA-N 1 1 394.288 4.092 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCS3)n2Cc2ccccc2)C1 ZINC000576027404 824052947 /nfs/dbraw/zinc/05/29/47/824052947.db2.gz FPZKUYBIBPFFJD-UXHICEINSA-N 1 1 399.608 4.063 20 0 GIADMO Fc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)ccc1OC(F)F ZINC000576028829 824053274 /nfs/dbraw/zinc/05/32/74/824053274.db2.gz XHGDVGMGBGMAHV-ZIFCJYIRSA-N 1 1 377.406 4.432 20 0 GIADMO Cc1nc(COc2ccc(CNC[C@@H]3[NH2+]CCc4ccccc43)cc2)cs1 ZINC000414951354 824053300 /nfs/dbraw/zinc/05/33/00/824053300.db2.gz GNGYIIJPPBEOSQ-QFIPXVFZSA-N 1 1 379.529 4.007 20 0 GIADMO C[N@H+](CCCOc1ccc(F)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000014201561 207015507 /nfs/dbraw/zinc/01/55/07/207015507.db2.gz LGFKPOYGLQAUCB-UHFFFAOYSA-N 1 1 384.373 4.184 20 0 GIADMO C[N@@H+](CCCOc1ccc(F)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000014201561 207015512 /nfs/dbraw/zinc/01/55/12/207015512.db2.gz LGFKPOYGLQAUCB-UHFFFAOYSA-N 1 1 384.373 4.184 20 0 GIADMO C[N@@H+](Cc1ccccc1NCC(=O)NCCc1ccc(F)cc1)C1CCCCC1 ZINC000021892199 207241755 /nfs/dbraw/zinc/24/17/55/207241755.db2.gz CGMNGYUFESAYAC-UHFFFAOYSA-N 1 1 397.538 4.361 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000026365044 207313418 /nfs/dbraw/zinc/31/34/18/207313418.db2.gz WZFYQAXOEWRTRW-HUUCEWRRSA-N 1 1 385.895 4.145 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)o2)cc1 ZINC000053403945 222009733 /nfs/dbraw/zinc/00/97/33/222009733.db2.gz DRNRYMGKVXRISN-SFHVURJKSA-N 1 1 383.536 4.209 20 0 GIADMO O=C1c2ccccc2[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164401306 718846792 /nfs/dbraw/zinc/84/67/92/718846792.db2.gz AQAZADSMNLTYEB-DHIUTWEWSA-N 1 1 395.506 4.056 20 0 GIADMO O=C1c2ccccc2[C@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164401306 718846793 /nfs/dbraw/zinc/84/67/93/718846793.db2.gz AQAZADSMNLTYEB-DHIUTWEWSA-N 1 1 395.506 4.056 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4NC(=O)[C@H]3C2)nc1 ZINC001164400896 718859189 /nfs/dbraw/zinc/85/91/89/718859189.db2.gz AQTKMXMYIPXOGC-JAXLGGSGSA-N 1 1 390.531 4.191 20 0 GIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001164421092 718902695 /nfs/dbraw/zinc/90/26/95/718902695.db2.gz OQJIMONKWAWRQT-SJORKVTESA-N 1 1 388.581 4.155 20 0 GIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164625929 719070000 /nfs/dbraw/zinc/07/00/00/719070000.db2.gz NTGHREHBQDFJMK-IAGOWNOFSA-N 1 1 381.911 4.021 20 0 GIADMO Clc1cccc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ncc12 ZINC001164628523 719082977 /nfs/dbraw/zinc/08/29/77/719082977.db2.gz SFAUJNAWCALXER-UTKZUKDTSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1ccc2cnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001164623622 719083679 /nfs/dbraw/zinc/08/36/79/719083679.db2.gz JZQVZYPYZBRDTA-NQIIRXRSSA-N 1 1 378.907 4.384 20 0 GIADMO CCOC(=O)c1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC001164622450 719091336 /nfs/dbraw/zinc/09/13/36/719091336.db2.gz BZSWFRFGLJOQID-MJGOQNOKSA-N 1 1 399.922 4.013 20 0 GIADMO CC(C)n1ccc2c1ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624995 719093275 /nfs/dbraw/zinc/09/32/75/719093275.db2.gz FXFGIWDPBGQXRF-FPOVZHCZSA-N 1 1 375.520 4.113 20 0 GIADMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164641021 719208943 /nfs/dbraw/zinc/20/89/43/719208943.db2.gz UMYAHOQTYBIDQR-UWVGGRQHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1ccc2c(Cl)nc(Cl)nc2c1 ZINC001164641021 719208949 /nfs/dbraw/zinc/20/89/49/719208949.db2.gz UMYAHOQTYBIDQR-UWVGGRQHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1CN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)[C@@H](C)C[N@@H+]1C ZINC001164633932 719250225 /nfs/dbraw/zinc/25/02/25/719250225.db2.gz LQWVPDVKSXPGDL-KGLIPLIRSA-N 1 1 381.854 4.356 20 0 GIADMO C[C@@H]1CN(C(F)(F)Oc2ccccc2-c2cccc(Cl)n2)[C@@H](C)C[N@H+]1C ZINC001164633932 719250226 /nfs/dbraw/zinc/25/02/26/719250226.db2.gz LQWVPDVKSXPGDL-KGLIPLIRSA-N 1 1 381.854 4.356 20 0 GIADMO CC(C)c1cc2c(ncnc2N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)s1 ZINC001164647163 719307092 /nfs/dbraw/zinc/30/70/92/719307092.db2.gz LCGKAWNGZZXHMO-UHFFFAOYSA-N 1 1 398.580 4.216 20 0 GIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)nc(C(C)C)n2)CC3)cs1 ZINC001164691295 719813125 /nfs/dbraw/zinc/81/31/25/719813125.db2.gz DVAOIPDHCZHDOU-UHFFFAOYSA-N 1 1 385.581 4.308 20 0 GIADMO Cc1cccc2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc12 ZINC001164701275 719885909 /nfs/dbraw/zinc/88/59/09/719885909.db2.gz 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Cc1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164722481 720364283 /nfs/dbraw/zinc/36/42/83/720364283.db2.gz CUOHMAMZPZRVNF-PMACEKPBSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727740 720415159 /nfs/dbraw/zinc/41/51/59/720415159.db2.gz FAYMGVOTKNWQLM-UXHICEINSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc2c(Cl)cccc12 ZINC001164726388 720417157 /nfs/dbraw/zinc/41/71/57/720417157.db2.gz BVYGNQBMEJJMCC-PMACEKPBSA-N 1 1 378.907 4.445 20 0 GIADMO Clc1cccc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)c1 ZINC001164734392 720442553 /nfs/dbraw/zinc/44/25/53/720442553.db2.gz RTUJIRANAAXDBP-SFTDATJTSA-N 1 1 391.906 4.045 20 0 GIADMO CC(C)c1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164729428 720455762 /nfs/dbraw/zinc/45/57/62/720455762.db2.gz HKRUNWFCYMHOEC-UXHICEINSA-N 1 1 379.552 4.146 20 0 GIADMO Fc1ccc(Cl)c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164724783 720474231 /nfs/dbraw/zinc/47/42/31/720474231.db2.gz HHTYKOTZEKIRRH-OALUTQOASA-N 1 1 382.870 4.276 20 0 GIADMO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731147 720474375 /nfs/dbraw/zinc/47/43/75/720474375.db2.gz WDLCCMKVTGITPC-MOPGFXCFSA-N 1 1 378.907 4.445 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(F)cc1Cl)CC2 ZINC001164845332 720683761 /nfs/dbraw/zinc/68/37/61/720683761.db2.gz YHYPUUCKEVZKSQ-GOSISDBHSA-N 1 1 389.902 4.134 20 0 GIADMO CC(C)c1ccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001164840466 720694648 /nfs/dbraw/zinc/69/46/48/720694648.db2.gz FAWUYOKTHHJVAJ-QFIPXVFZSA-N 1 1 379.548 4.465 20 0 GIADMO CC(C)Oc1cccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842773 720695761 /nfs/dbraw/zinc/69/57/61/720695761.db2.gz NDOAAORTSWKZJY-OAQYLSRUSA-N 1 1 395.547 4.129 20 0 GIADMO Cc1cccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nn2)c1 ZINC001164859765 721004220 /nfs/dbraw/zinc/00/42/20/721004220.db2.gz MLNINYHNWLKCRR-GOSISDBHSA-N 1 1 390.535 4.070 20 0 GIADMO CC[C@@H](C)c1nc2[nH]ccc2c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164861033 721023679 /nfs/dbraw/zinc/02/36/79/721023679.db2.gz NBJYLEPYSVSQHL-HZPDHXFCSA-N 1 1 395.555 4.089 20 0 GIADMO Fc1ccc(-c2csc3ncnc(N4CC5(C4)CC[N@@H+](CC4CC4)C5)c23)cc1 ZINC001164767997 721296531 /nfs/dbraw/zinc/29/65/31/721296531.db2.gz CZRPAUQADGVPSH-UHFFFAOYSA-N 1 1 394.519 4.420 20 0 GIADMO Cc1cccc(Oc2nc(Cl)ncc2N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164774641 721302540 /nfs/dbraw/zinc/30/25/40/721302540.db2.gz FTAWCMBJSHOILU-UHFFFAOYSA-N 1 1 384.911 4.153 20 0 GIADMO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc2c(Cl)cccc12 ZINC001164781842 721420927 /nfs/dbraw/zinc/42/09/27/721420927.db2.gz FKXLGBZLOWGLGC-GASCZTMLSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc2c(Cl)cccc12 ZINC001164781842 721420928 /nfs/dbraw/zinc/42/09/28/721420928.db2.gz FKXLGBZLOWGLGC-GASCZTMLSA-N 1 1 384.936 4.221 20 0 GIADMO Fc1ccc(Cl)c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc12 ZINC001164789568 721435825 /nfs/dbraw/zinc/43/58/25/721435825.db2.gz VTGUVZAQXKLDJO-STQMWFEESA-N 1 1 388.899 4.052 20 0 GIADMO Fc1cccc2cc(Cl)nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164782583 721439895 /nfs/dbraw/zinc/43/98/95/721439895.db2.gz KGNDAOBWEKMKEE-OKILXGFUSA-N 1 1 388.899 4.052 20 0 GIADMO Fc1cccc2cc(Cl)nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164782583 721439899 /nfs/dbraw/zinc/43/98/99/721439899.db2.gz KGNDAOBWEKMKEE-OKILXGFUSA-N 1 1 388.899 4.052 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164792098 721491459 /nfs/dbraw/zinc/49/14/59/721491459.db2.gz GNYBFUXXYQKEKG-UHFFFAOYSA-N 1 1 399.542 4.420 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164795469 721498897 /nfs/dbraw/zinc/49/88/97/721498897.db2.gz IBVITJHUNIPOFS-UHFFFAOYSA-N 1 1 391.494 4.045 20 0 GIADMO CSc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(C)c1 ZINC001164795110 721499133 /nfs/dbraw/zinc/49/91/33/721499133.db2.gz DGWTWUWZYRWJQC-UHFFFAOYSA-N 1 1 382.577 4.388 20 0 GIADMO CCCSc1cncc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164795778 721501573 /nfs/dbraw/zinc/50/15/73/721501573.db2.gz LVUZEGALWGMFIY-UHFFFAOYSA-N 1 1 397.592 4.255 20 0 GIADMO Cc1cc2ccccc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903017 721544969 /nfs/dbraw/zinc/54/49/69/721544969.db2.gz BVBXAVPINILQOZ-CTNGQTDRSA-N 1 1 377.463 4.024 20 0 GIADMO Fc1cc(Cl)cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907487 721585799 /nfs/dbraw/zinc/58/57/99/721585799.db2.gz UIVMZSDUTWRCOS-GOSISDBHSA-N 1 1 396.844 4.007 20 0 GIADMO FC1(F)CCN(c2cc3ccccc3cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908242 721691721 /nfs/dbraw/zinc/69/17/21/721691721.db2.gz YEJLXXNXARRYLP-JOCHJYFZSA-N 1 1 394.469 4.368 20 0 GIADMO CC(C)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164905598 721708119 /nfs/dbraw/zinc/70/81/19/721708119.db2.gz HWDXELIFZNXPNY-NRFANRHFSA-N 1 1 386.490 4.338 20 0 GIADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(C(C)C)n1 ZINC001164909646 721761330 /nfs/dbraw/zinc/76/13/30/721761330.db2.gz DZNJDRKQMGYXNS-UHFFFAOYSA-N 1 1 391.519 4.091 20 0 GIADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(C(C)C)n1 ZINC001164909646 721761334 /nfs/dbraw/zinc/76/13/34/721761334.db2.gz DZNJDRKQMGYXNS-UHFFFAOYSA-N 1 1 391.519 4.091 20 0 GIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(C4CC4)c3CC2)nc1 ZINC001164914744 721804419 /nfs/dbraw/zinc/80/44/19/721804419.db2.gz FNIUMGHGZSXGSF-QFIPXVFZSA-N 1 1 391.563 4.291 20 0 GIADMO Cc1cccc2c1ncnc2N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165018585 721806027 /nfs/dbraw/zinc/80/60/27/721806027.db2.gz BJYFBPACRIJWOA-NYVOZVTQSA-N 1 1 387.531 4.070 20 0 GIADMO Cc1c[nH]c2nc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc12 ZINC001165027196 721807381 /nfs/dbraw/zinc/80/73/81/721807381.db2.gz UFPZHCVXPRSQMV-DZFGPLHGSA-N 1 1 375.520 4.003 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccsc43)C[C@H]21 ZINC001165026933 721807726 /nfs/dbraw/zinc/80/77/26/721807726.db2.gz SPCWGFXANYVCBQ-MISYRCLQSA-N 1 1 378.545 4.428 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(C4CC4)n3)C[C@H]21 ZINC001165027460 721813485 /nfs/dbraw/zinc/81/34/85/721813485.db2.gz UURNLJUDQOUZNH-ILZDJORESA-N 1 1 397.954 4.139 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(C4CC4)n3)C[C@@H]21 ZINC001165027463 721813547 /nfs/dbraw/zinc/81/35/47/721813547.db2.gz UURNLJUDQOUZNH-IMFGXOCKSA-N 1 1 397.954 4.139 20 0 GIADMO CC(C)Oc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026161 721815328 /nfs/dbraw/zinc/81/53/28/721815328.db2.gz PIXMMAHZJFDBKN-NYVOZVTQSA-N 1 1 380.536 4.001 20 0 GIADMO CC(C)Oc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026161 721815330 /nfs/dbraw/zinc/81/53/30/721815330.db2.gz PIXMMAHZJFDBKN-NYVOZVTQSA-N 1 1 380.536 4.001 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2[nH]ccc21 ZINC001165028289 721818014 /nfs/dbraw/zinc/81/80/14/721818014.db2.gz XHBACILAOADBKU-DZFGPLHGSA-N 1 1 375.520 4.003 20 0 GIADMO Cc1cnc2n1CCN(C)C21CCN(c2cc(C)c3ccc(C)c(C)c3[nH+]2)CC1 ZINC001164919004 721819985 /nfs/dbraw/zinc/81/99/85/721819985.db2.gz YIFDERKAZQCKHA-UHFFFAOYSA-N 1 1 389.547 4.106 20 0 GIADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2ncnc3c2ccn3C2CCCC2)c1 ZINC001164937385 721912895 /nfs/dbraw/zinc/91/28/95/721912895.db2.gz LRLJWCILVQUOAD-HDICACEKSA-N 1 1 393.560 4.461 20 0 GIADMO Cc1c[nH]c2nc(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)ccc12 ZINC001164940972 721924379 /nfs/dbraw/zinc/92/43/79/721924379.db2.gz XNZRRFPHHHYQNF-UHFFFAOYSA-N 1 1 390.531 4.051 20 0 GIADMO Fc1ccc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001164955621 722022542 /nfs/dbraw/zinc/02/25/42/722022542.db2.gz KNOGBKXMGPFLAU-UHFFFAOYSA-N 1 1 376.479 4.261 20 0 GIADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@H]21 ZINC001164981578 722098368 /nfs/dbraw/zinc/09/83/68/722098368.db2.gz LTHKJQDVUPGMLS-QWFCFKBJSA-N 1 1 398.938 4.012 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(Cl)ncc2Cl)C3)c1 ZINC001164995343 722192954 /nfs/dbraw/zinc/19/29/54/722192954.db2.gz UTCLKTAPIVLVFA-GOSISDBHSA-N 1 1 381.282 4.167 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)ncc2Cl)C3)c1 ZINC001164995343 722192956 /nfs/dbraw/zinc/19/29/56/722192956.db2.gz UTCLKTAPIVLVFA-GOSISDBHSA-N 1 1 381.282 4.167 20 0 GIADMO Cc1cccc2ncc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164993626 722197737 /nfs/dbraw/zinc/19/77/37/722197737.db2.gz FVGYVSSJQYUQMY-QHCPKHFHSA-N 1 1 376.479 4.322 20 0 GIADMO COc1ccc2nc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ncc2c1 ZINC001164994974 722200704 /nfs/dbraw/zinc/20/07/04/722200704.db2.gz JZLGEEDPDWWFIZ-HSZRJFAPSA-N 1 1 392.478 4.022 20 0 GIADMO COc1nnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c2ccccc21 ZINC001164995457 722207756 /nfs/dbraw/zinc/20/77/56/722207756.db2.gz NTGXJLIFRPBPLC-QHCPKHFHSA-N 1 1 392.478 4.022 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000187344703 823046559 /nfs/dbraw/zinc/04/65/59/823046559.db2.gz PRIJMPUQTGQKDW-CVDCTZTESA-N 1 1 399.579 4.019 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCCC2(F)F)cc1 ZINC000458497258 823047604 /nfs/dbraw/zinc/04/76/04/823047604.db2.gz BJCSWUFTUAIBHP-PBHICJAKSA-N 1 1 376.451 4.366 20 0 GIADMO O=C(c1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1)N1CCCCC1 ZINC000175821061 823047829 /nfs/dbraw/zinc/04/78/29/823047829.db2.gz JTGPNODRGNQPIJ-RTWAWAEBSA-N 1 1 398.572 4.462 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000187355058 823048298 /nfs/dbraw/zinc/04/82/98/823048298.db2.gz QOCFKQBZOQLRPP-UHFFFAOYSA-N 1 1 389.912 4.131 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NC2CCC(C(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000458509666 823049184 /nfs/dbraw/zinc/04/91/84/823049184.db2.gz WRWPCMGTAFZAMQ-JYPHPWERSA-N 1 1 379.495 4.163 20 0 GIADMO C[C@H]1C[C@H](NC(=O)NC2CCC(C(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000458509664 823049099 /nfs/dbraw/zinc/04/90/99/823049099.db2.gz WRWPCMGTAFZAMQ-GWFLUQINSA-N 1 1 379.495 4.163 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000175834861 823050859 /nfs/dbraw/zinc/05/08/59/823050859.db2.gz JQIHHOXMOBMHLZ-MRXNPFEDSA-N 1 1 399.498 4.491 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1CCCc1nc(-c2ccccc2)no1)c1cccs1 ZINC000175834408 823050877 /nfs/dbraw/zinc/05/08/77/823050877.db2.gz DXOCUIWFYGSPQF-ROUUACIJSA-N 1 1 383.517 4.319 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)Cc2cccc(C)n2)c1 ZINC000458539783 823052970 /nfs/dbraw/zinc/05/29/70/823052970.db2.gz JZILNFFIRRAXDF-UHFFFAOYSA-N 1 1 382.552 4.354 20 0 GIADMO COc1ccc(C[N@@H+](Cc2ccc(OCc3noc(C)n3)cc2)C2CC2)cc1 ZINC000120731906 823054286 /nfs/dbraw/zinc/05/42/86/823054286.db2.gz VFFKRAORVMROAF-UHFFFAOYSA-N 1 1 379.460 4.130 20 0 GIADMO Cc1ccc2[nH]cc(CCC(=O)N3CCC(Oc4cc[nH+]cc4C)CC3)c2c1 ZINC000570563487 823055709 /nfs/dbraw/zinc/05/57/09/823055709.db2.gz ZUCZFXYWHOPXRX-UHFFFAOYSA-N 1 1 377.488 4.182 20 0 GIADMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000187403571 823056610 /nfs/dbraw/zinc/05/66/10/823056610.db2.gz GUAIMAMOOZBIBL-ULFGMLNVSA-N 1 1 378.289 4.079 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000187403571 823056617 /nfs/dbraw/zinc/05/66/17/823056617.db2.gz GUAIMAMOOZBIBL-ULFGMLNVSA-N 1 1 378.289 4.079 20 0 GIADMO Cc1noc([C@@H](C)N(C)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000570580522 823057096 /nfs/dbraw/zinc/05/70/96/823057096.db2.gz YLGRXAGVEYMDFX-MRXNPFEDSA-N 1 1 399.539 4.045 20 0 GIADMO Cc1cccc(-c2noc(CNc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)n2)c1 ZINC000055869805 823057186 /nfs/dbraw/zinc/05/71/86/823057186.db2.gz GJPCEJURXZXCPI-ROUUACIJSA-N 1 1 392.503 4.266 20 0 GIADMO Cc1ccc(-c2noc(CNc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)n2)cc1 ZINC000055869971 823057670 /nfs/dbraw/zinc/05/76/70/823057670.db2.gz LCEWRYWGPFDPJG-QZTJIDSGSA-N 1 1 392.503 4.266 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1)c1cccs1 ZINC000175862574 823058094 /nfs/dbraw/zinc/05/80/94/823058094.db2.gz DPOZQSBNRZOTOB-OALUTQOASA-N 1 1 382.533 4.197 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C2CC2)cc1 ZINC000055899699 823063648 /nfs/dbraw/zinc/06/36/48/823063648.db2.gz NSFCHNMGBGTPMP-UHFFFAOYSA-N 1 1 390.483 4.383 20 0 GIADMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(Br)c3ccccc13)CC2 ZINC000570637142 823065160 /nfs/dbraw/zinc/06/51/60/823065160.db2.gz HBWDUDVYPBXDIR-ZDUSSCGKSA-N 1 1 384.277 4.308 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187446159 823065228 /nfs/dbraw/zinc/06/52/28/823065228.db2.gz WEAIRFCXYYUILI-MRXNPFEDSA-N 1 1 397.485 4.110 20 0 GIADMO C[C@@H](NC(=O)N1CCc2c(Cl)cc(F)cc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458627046 823066087 /nfs/dbraw/zinc/06/60/87/823066087.db2.gz GRLUHNMPZWZXBN-CABCVRRESA-N 1 1 393.934 4.200 20 0 GIADMO C[C@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458630170 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376.491 4.181 20 0 GIADMO CC(C)[C@@H](CC(F)(F)F)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000458698666 823075743 /nfs/dbraw/zinc/07/57/43/823075743.db2.gz WJIQAZVTZTUBLN-SJLPKXTDSA-N 1 1 385.474 4.127 20 0 GIADMO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000458701481 823076113 /nfs/dbraw/zinc/07/61/13/823076113.db2.gz CPFLQRJBSDFGOV-KSSFIOAISA-N 1 1 383.458 4.114 20 0 GIADMO COc1cccc(COC[C@@H](O)C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000570726882 823076666 /nfs/dbraw/zinc/07/66/66/823076666.db2.gz NAFWFRBVLRITEI-HNNXBMFYSA-N 1 1 396.314 4.158 20 0 GIADMO CCc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000187510632 823077784 /nfs/dbraw/zinc/07/77/84/823077784.db2.gz GPJRPLFHRILINJ-INIZCTEOSA-N 1 1 379.504 4.186 20 0 GIADMO COCc1c(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)sc2cccc(F)c21 ZINC000570733531 823077994 /nfs/dbraw/zinc/07/79/94/823077994.db2.gz PSUMDLDDAXREIV-CQSZACIVSA-N 1 1 390.524 4.133 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2cccc(OC(F)(F)F)c2)c2ccc(F)cc2)cn1 ZINC000187515774 823079354 /nfs/dbraw/zinc/07/93/54/823079354.db2.gz QNCAECITKUOBQA-GOSISDBHSA-N 1 1 379.357 4.337 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)c2ccc(F)cc2)cn1 ZINC000187518491 823079710 /nfs/dbraw/zinc/07/97/10/823079710.db2.gz WEBYVBPEKAJQTI-JOCHJYFZSA-N 1 1 389.434 4.021 20 0 GIADMO Cc1ccc2c(CC(=O)N3CCC(Oc4cc[nH+]cc4C)CC3)coc2c1C ZINC000570746497 823080255 /nfs/dbraw/zinc/08/02/55/823080255.db2.gz HFYJGHQARIXRSK-UHFFFAOYSA-N 1 1 378.472 4.366 20 0 GIADMO c1ccc(CCCO[C@@H]2CC[N@@H+](CCc3nc(-c4ccccc4)no3)C2)cc1 ZINC000175955138 823081760 /nfs/dbraw/zinc/08/17/60/823081760.db2.gz WGNDVSHZEVFIQH-OAQYLSRUSA-N 1 1 377.488 4.003 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)C2)C1 ZINC000458744751 823080543 /nfs/dbraw/zinc/08/05/43/823080543.db2.gz WQMPPTNQWBSTKY-QRFRQXIXSA-N 1 1 395.469 4.079 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c2ccc(F)cc2)cn1 ZINC000187527076 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398.576 4.179 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000175969632 823084686 /nfs/dbraw/zinc/08/46/86/823084686.db2.gz BSELGZOPDMPGMZ-UHFFFAOYSA-N 1 1 398.576 4.179 20 0 GIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000570800886 823089385 /nfs/dbraw/zinc/08/93/85/823089385.db2.gz AZQITESRZDCJSR-SFHVURJKSA-N 1 1 394.519 4.101 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC[N@H+]1C ZINC000175988740 823089725 /nfs/dbraw/zinc/08/97/25/823089725.db2.gz NESCVXVNWYVMKK-CRAIPNDOSA-N 1 1 397.485 4.251 20 0 GIADMO COC(=O)c1cccc(C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)c1 ZINC000570829170 823092442 /nfs/dbraw/zinc/09/24/42/823092442.db2.gz LMDKCLVUGJKRNR-UHFFFAOYSA-N 1 1 391.414 4.248 20 0 GIADMO Clc1ccc(-c2noc(CC[NH2+]Cc3c[nH]c(-c4ccccc4)n3)n2)cc1 ZINC000175993849 823090820 /nfs/dbraw/zinc/09/08/20/823090820.db2.gz BANHOSGBPIVHOG-UHFFFAOYSA-N 1 1 379.851 4.112 20 0 GIADMO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000187574367 823090972 /nfs/dbraw/zinc/09/09/72/823090972.db2.gz CGDBAAKYWCBURM-QMMMGPOBSA-N 1 1 380.288 4.267 20 0 GIADMO COc1ccccc1NC(=O)[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000056156217 823091484 /nfs/dbraw/zinc/09/14/84/823091484.db2.gz PRVIGQYALDWWEK-OALUTQOASA-N 1 1 395.547 4.186 20 0 GIADMO COc1ccccc1NC(=O)[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000056156217 823091489 /nfs/dbraw/zinc/09/14/89/823091489.db2.gz PRVIGQYALDWWEK-OALUTQOASA-N 1 1 395.547 4.186 20 0 GIADMO COCc1cccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000056157192 823091898 /nfs/dbraw/zinc/09/18/98/823091898.db2.gz KPPHFJIOWRWUCS-JOCHJYFZSA-N 1 1 378.447 4.442 20 0 GIADMO CCN(C(=O)NCCC1(COC)CCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000458830568 823093739 /nfs/dbraw/zinc/09/37/39/823093739.db2.gz NZSVGWARUCPIMK-FPOVZHCZSA-N 1 1 387.568 4.060 20 0 GIADMO COc1c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc(Cl)cc1C(N)=O ZINC000570843025 823094179 /nfs/dbraw/zinc/09/41/79/823094179.db2.gz KGVLSPJFNAYCJT-QGZVFWFLSA-N 1 1 399.922 4.057 20 0 GIADMO CCc1nnc(-c2ccc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@H](CC)C3)cc2)o1 ZINC000176013963 823095879 /nfs/dbraw/zinc/09/58/79/823095879.db2.gz NSXMQMHQSNSXBF-INIZCTEOSA-N 1 1 399.539 4.321 20 0 GIADMO CCC[N@@H+](C)[C@H](CNC(=O)c1cc(-c2cccnc2)on1)c1ccc(Cl)cc1 ZINC000570874309 823099904 /nfs/dbraw/zinc/09/99/04/823099904.db2.gz XGTDLAFBGARVQB-LJQANCHMSA-N 1 1 398.894 4.203 20 0 GIADMO CC(C)[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000570874157 823099977 /nfs/dbraw/zinc/09/99/77/823099977.db2.gz QQUILBGVOGMWPS-UHFFFAOYSA-N 1 1 382.529 4.159 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000570891331 823103128 /nfs/dbraw/zinc/10/31/28/823103128.db2.gz HLCSTWLPPYXESM-QFBILLFUSA-N 1 1 381.923 4.097 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C(F)(F)F)c1F ZINC000176043316 823104767 /nfs/dbraw/zinc/10/47/67/823104767.db2.gz KABDBQBEXWKFQD-INIZCTEOSA-N 1 1 394.412 4.139 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000121029665 823105695 /nfs/dbraw/zinc/10/56/95/823105695.db2.gz QNPDOXPNILBHIF-NRFANRHFSA-N 1 1 391.559 4.019 20 0 GIADMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000121029665 823105699 /nfs/dbraw/zinc/10/56/99/823105699.db2.gz QNPDOXPNILBHIF-NRFANRHFSA-N 1 1 391.559 4.019 20 0 GIADMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000121029665 823105701 /nfs/dbraw/zinc/10/57/01/823105701.db2.gz QNPDOXPNILBHIF-NRFANRHFSA-N 1 1 391.559 4.019 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000570958872 823111957 /nfs/dbraw/zinc/11/19/57/823111957.db2.gz PYXBWGUXAGVCGO-MLGOLLRUSA-N 1 1 390.833 4.188 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000570970692 823113516 /nfs/dbraw/zinc/11/35/16/823113516.db2.gz PUFHLMARVAHWBO-MOPGFXCFSA-N 1 1 399.604 4.400 20 0 GIADMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000570980926 823115428 /nfs/dbraw/zinc/11/54/28/823115428.db2.gz UBZAXVXBZBJZKU-NRFANRHFSA-N 1 1 391.508 4.008 20 0 GIADMO CCC[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1)C(C)(C)C ZINC000459014794 823116983 /nfs/dbraw/zinc/11/69/83/823116983.db2.gz RMBMECCAFLWPAS-AEFFLSMTSA-N 1 1 380.602 4.130 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000176102634 823121157 /nfs/dbraw/zinc/12/11/57/823121157.db2.gz SIWXLBIOOGAQSZ-OXJNMPFZSA-N 1 1 390.449 4.417 20 0 GIADMO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000571022874 823121746 /nfs/dbraw/zinc/12/17/46/823121746.db2.gz PVZHJNWKIQFPKJ-ZDUSSCGKSA-N 1 1 388.393 4.047 20 0 GIADMO CC(C)c1noc2ncc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC000176111894 823123947 /nfs/dbraw/zinc/12/39/47/823123947.db2.gz ZZYSOMWOAZYOQN-APWZRJJASA-N 1 1 392.503 4.129 20 0 GIADMO CCCN(C(=O)NCc1cnc(C2CC2)o1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459085751 823125975 /nfs/dbraw/zinc/12/59/75/823125975.db2.gz 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O=C1[C@H]([NH+]2CCC(OC3CCCCC3)CC2)CCN1c1ccc(Cl)cc1 ZINC000571366956 823172294 /nfs/dbraw/zinc/17/22/94/823172294.db2.gz XMVZATNWIBNNGQ-HXUWFJFHSA-N 1 1 376.928 4.259 20 0 GIADMO C[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H](CCO)c1ccccc1 ZINC000121383737 823174672 /nfs/dbraw/zinc/17/46/72/823174672.db2.gz SWISXDRAZCHDAM-QGZVFWFLSA-N 1 1 383.517 4.232 20 0 GIADMO C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H](CCO)c1ccccc1 ZINC000121383737 823174675 /nfs/dbraw/zinc/17/46/75/823174675.db2.gz SWISXDRAZCHDAM-QGZVFWFLSA-N 1 1 383.517 4.232 20 0 GIADMO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)cs1 ZINC000459381816 823178304 /nfs/dbraw/zinc/17/83/04/823178304.db2.gz VGHNFBPXLJUIOU-QGZVFWFLSA-N 1 1 385.577 4.436 20 0 GIADMO C[C@@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@@H+]1CCCC[C@H]1C ZINC000459384220 823179205 /nfs/dbraw/zinc/17/92/05/823179205.db2.gz YVJBENAPPVHVSA-MOPGFXCFSA-N 1 1 381.568 4.413 20 0 GIADMO C[C@@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@H+]1CCCC[C@H]1C ZINC000459384220 823179210 /nfs/dbraw/zinc/17/92/10/823179210.db2.gz YVJBENAPPVHVSA-MOPGFXCFSA-N 1 1 381.568 4.413 20 0 GIADMO C[C@@H](NC1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CCOCC1)c1ccccc1 ZINC000121411861 823179885 /nfs/dbraw/zinc/17/98/85/823179885.db2.gz CHSMUSLYGNOQLE-ZHRRBRCNSA-N 1 1 386.486 4.442 20 0 GIADMO Clc1ccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571451490 823184606 /nfs/dbraw/zinc/18/46/06/823184606.db2.gz NNUZJTDACDLMRT-OAQYLSRUSA-N 1 1 381.863 4.360 20 0 GIADMO Clc1ccc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571451490 823184608 /nfs/dbraw/zinc/18/46/08/823184608.db2.gz NNUZJTDACDLMRT-OAQYLSRUSA-N 1 1 381.863 4.360 20 0 GIADMO C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000459402859 823185293 /nfs/dbraw/zinc/18/52/93/823185293.db2.gz NVDMDQIUFYXBEA-NHCUHLMSSA-N 1 1 393.462 4.340 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000121447960 823186343 /nfs/dbraw/zinc/18/63/43/823186343.db2.gz 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ZINC000459483086 823202001 /nfs/dbraw/zinc/20/20/01/823202001.db2.gz RJJXOTBUIGVHKZ-UHFFFAOYSA-N 1 1 375.303 4.367 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000459488781 823202893 /nfs/dbraw/zinc/20/28/93/823202893.db2.gz JLUKLYAVUODRGN-INIZCTEOSA-N 1 1 381.549 4.104 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@H](c3ccccc3)C3CCC3)CC2)[nH+]c1 ZINC000176413545 823203001 /nfs/dbraw/zinc/20/30/01/823203001.db2.gz RWYNJBBSUQAMBJ-JOCHJYFZSA-N 1 1 378.520 4.199 20 0 GIADMO FC(F)(F)c1nnc(N2CCC[N@@H+](Cc3ccc(C4CC4)cc3)CC2)s1 ZINC000459489566 823203141 /nfs/dbraw/zinc/20/31/41/823203141.db2.gz AVVDNOVAWXMCLZ-UHFFFAOYSA-N 1 1 382.455 4.147 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000571583304 823203668 /nfs/dbraw/zinc/20/36/68/823203668.db2.gz JQAPCVTVMCNJFR-CALCHBBNSA-N 1 1 395.551 4.097 20 0 GIADMO COc1cc(C[N@H+](Cc2c(C)nc3scc(C4CC4)n23)C2CC2)ccc1O ZINC000459497880 823204830 /nfs/dbraw/zinc/20/48/30/823204830.db2.gz KNAXRCQDCAADKO-UHFFFAOYSA-N 1 1 383.517 4.460 20 0 GIADMO COc1cc(C[N@@H+](Cc2c(C)nc3scc(C4CC4)n23)C2CC2)ccc1O ZINC000459497880 823204835 /nfs/dbraw/zinc/20/48/35/823204835.db2.gz KNAXRCQDCAADKO-UHFFFAOYSA-N 1 1 383.517 4.460 20 0 GIADMO Oc1cccc([C@@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)CCO2)c1 ZINC000121565245 823206930 /nfs/dbraw/zinc/20/69/30/823206930.db2.gz KMACOPOVDGYVTF-QFIPXVFZSA-N 1 1 385.467 4.280 20 0 GIADMO Oc1cccc([C@@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)CCO2)c1 ZINC000121565245 823206936 /nfs/dbraw/zinc/20/69/36/823206936.db2.gz KMACOPOVDGYVTF-QFIPXVFZSA-N 1 1 385.467 4.280 20 0 GIADMO Cc1ncsc1CN1CC[N@H+](Cc2scnc2C)C[C@@H]1c1ccccc1 ZINC000459505597 823206390 /nfs/dbraw/zinc/20/63/90/823206390.db2.gz HKFZLVRNVPQEHX-GOSISDBHSA-N 1 1 384.574 4.276 20 0 GIADMO Cc1ncsc1CN1CC[N@@H+](Cc2scnc2C)C[C@@H]1c1ccccc1 ZINC000459505597 823206396 /nfs/dbraw/zinc/20/63/96/823206396.db2.gz HKFZLVRNVPQEHX-GOSISDBHSA-N 1 1 384.574 4.276 20 0 GIADMO C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1c2ccccc2-c2ccccc21 ZINC000176434437 823207086 /nfs/dbraw/zinc/20/70/86/823207086.db2.gz USDNZUFCBMFGIH-OAHLLOKOSA-N 1 1 388.433 4.489 20 0 GIADMO C[C@@H]1CN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC[N@H+]1CC(C)(C)O ZINC000459509757 823207539 /nfs/dbraw/zinc/20/75/39/823207539.db2.gz LKZSWRPIVSCBKU-TYOLEZHBSA-N 1 1 394.559 4.056 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000459509967 823207783 /nfs/dbraw/zinc/20/77/83/823207783.db2.gz LEHHOIDHFSMWQX-KRWDZBQOSA-N 1 1 394.544 4.067 20 0 GIADMO Cc1cc([C@@H](C)NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c(C)s1 ZINC000056761973 823208453 /nfs/dbraw/zinc/20/84/53/823208453.db2.gz DYIJLHSIULWIQW-MRXNPFEDSA-N 1 1 387.549 4.122 20 0 GIADMO COc1cccc(COC[C@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000121575545 823209080 /nfs/dbraw/zinc/20/90/80/823209080.db2.gz FIJXQDKWLKZJBQ-YLJYHZDGSA-N 1 1 398.528 4.020 20 0 GIADMO Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)c2)o1 ZINC000176452836 823210555 /nfs/dbraw/zinc/21/05/55/823210555.db2.gz COGFCFPXYDOHLF-FQEVSTJZSA-N 1 1 394.450 4.177 20 0 GIADMO Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)c2)o1 ZINC000176452836 823210560 /nfs/dbraw/zinc/21/05/60/823210560.db2.gz COGFCFPXYDOHLF-FQEVSTJZSA-N 1 1 394.450 4.177 20 0 GIADMO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)ccc1O ZINC000459524286 823210920 /nfs/dbraw/zinc/21/09/20/823210920.db2.gz JOXNHERTYGWWST-YOEHRIQHSA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)ccc1O ZINC000459524286 823210924 /nfs/dbraw/zinc/21/09/24/823210924.db2.gz JOXNHERTYGWWST-YOEHRIQHSA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)ccc1O ZINC000459524278 823211004 /nfs/dbraw/zinc/21/10/04/823211004.db2.gz JOXNHERTYGWWST-PBHICJAKSA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)ccc1O ZINC000459524278 823211008 /nfs/dbraw/zinc/21/10/08/823211008.db2.gz JOXNHERTYGWWST-PBHICJAKSA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc(Br)c1O ZINC000459527661 823211898 /nfs/dbraw/zinc/21/18/98/823211898.db2.gz NKPXLLROUYJRKB-GXSJLCMTSA-N 1 1 382.220 4.326 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc(Br)c1O ZINC000459527661 823211903 /nfs/dbraw/zinc/21/19/03/823211903.db2.gz NKPXLLROUYJRKB-GXSJLCMTSA-N 1 1 382.220 4.326 20 0 GIADMO COc1cc(C)c(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c(C)c1C ZINC000571630262 823211990 /nfs/dbraw/zinc/21/19/90/823211990.db2.gz KKEJWSDMUAORLH-UHFFFAOYSA-N 1 1 382.508 4.246 20 0 GIADMO Brc1cccc(-c2c[nH]c(C[NH+]3CCC([C@H]4CCCO4)CC3)n2)c1 ZINC000188278106 823213354 /nfs/dbraw/zinc/21/33/54/823213354.db2.gz QXEPVEFXZWCCMQ-GOSISDBHSA-N 1 1 390.325 4.230 20 0 GIADMO O=C(Nc1ccc(-c2csnn2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056788805 823213916 /nfs/dbraw/zinc/21/39/16/823213916.db2.gz GLRDPJSEUQPYNW-UHFFFAOYSA-N 1 1 399.564 4.325 20 0 GIADMO Cc1cc(-c2nnc(C[NH+]3CCC4(CC3)OCCc3ccccc34)o2)c(C)o1 ZINC000459534514 823213968 /nfs/dbraw/zinc/21/39/68/823213968.db2.gz WOLAGRNFRKTDCI-UHFFFAOYSA-N 1 1 379.460 4.010 20 0 GIADMO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+](C)CCc1ccccn1)c1ccccc1 ZINC000121625889 823218455 /nfs/dbraw/zinc/21/84/55/823218455.db2.gz CUEUOMSUVNGRIC-ZCYQVOJMSA-N 1 1 390.527 4.031 20 0 GIADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459543363 823216370 /nfs/dbraw/zinc/21/63/70/823216370.db2.gz LRMZBZKPUAZANU-OAHLLOKOSA-N 1 1 387.553 4.227 20 0 GIADMO CC[C@@H]([NH2+]Cc1cccc(O)c1Br)c1ccc(OC)c(OC)c1 ZINC000459548977 823217805 /nfs/dbraw/zinc/21/78/05/823217805.db2.gz ZSQSJEXXOJUURE-CQSZACIVSA-N 1 1 380.282 4.413 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCOc2cc(C)ccc2C)cc1F ZINC000409455215 823222901 /nfs/dbraw/zinc/22/29/01/823222901.db2.gz WHXQYFJVUKUNKP-UHFFFAOYSA-N 1 1 381.451 4.022 20 0 GIADMO Cc1cc(CNC(=O)Nc2ccccc2Br)cc(N2CCCC2)[nH+]1 ZINC000571691108 823219446 /nfs/dbraw/zinc/21/94/46/823219446.db2.gz TWEYSTNBCOQMHC-UHFFFAOYSA-N 1 1 389.297 4.074 20 0 GIADMO Brc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c(N2CCOCC2)c1 ZINC000571697106 823220588 /nfs/dbraw/zinc/22/05/88/823220588.db2.gz PSXCFZSRUIHETD-LJQANCHMSA-N 1 1 391.353 4.050 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1F ZINC000409452303 823221840 /nfs/dbraw/zinc/22/18/40/823221840.db2.gz HJVUEPIRNGPUNS-UHFFFAOYSA-N 1 1 391.368 4.198 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(OCC(C)C)c2)cc1F ZINC000409454350 823222607 /nfs/dbraw/zinc/22/26/07/823222607.db2.gz BBUJNGWUJJOVGL-UHFFFAOYSA-N 1 1 381.451 4.285 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnc3onc(C(C)(C)C)c3c2)C1 ZINC000409453928 823222681 /nfs/dbraw/zinc/22/26/81/823222681.db2.gz BRZNHOATPOVSNL-YJBOKZPZSA-N 1 1 392.503 4.086 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459552492 823218869 /nfs/dbraw/zinc/21/88/69/823218869.db2.gz ULBGLJDUDZFNEL-HTAPYJJXSA-N 1 1 382.552 4.369 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000409457946 823223580 /nfs/dbraw/zinc/22/35/80/823223580.db2.gz QKTIFIYQSWBPKP-UHFFFAOYSA-N 1 1 392.547 4.288 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000409460484 823224476 /nfs/dbraw/zinc/22/44/76/823224476.db2.gz SXJZVLGIAURUNB-QFBILLFUSA-N 1 1 394.906 4.091 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2ccc3c(c2)CCC3)cc1F ZINC000409461459 823224814 /nfs/dbraw/zinc/22/48/14/823224814.db2.gz ZTTIICMUOUGNNE-UHFFFAOYSA-N 1 1 395.503 4.217 20 0 GIADMO C[C@@H](CNC(=O)c1c(Cl)c2ccccc2n1C)[N@@H+]1CCc2sccc2C1 ZINC000056888128 823228095 /nfs/dbraw/zinc/22/80/95/823228095.db2.gz AKWGGYSXKVNTAC-ZDUSSCGKSA-N 1 1 387.936 4.070 20 0 GIADMO C[C@@H](CNC(=O)c1c(Cl)c2ccccc2n1C)[N@H+]1CCc2sccc2C1 ZINC000056888128 823228098 /nfs/dbraw/zinc/22/80/98/823228098.db2.gz AKWGGYSXKVNTAC-ZDUSSCGKSA-N 1 1 387.936 4.070 20 0 GIADMO CN(C(=O)CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1)c1ccccc1 ZINC000459584043 823225601 /nfs/dbraw/zinc/22/56/01/823225601.db2.gz ALPLGTOZOQPRAT-SFHVURJKSA-N 1 1 388.309 4.034 20 0 GIADMO CN(C(=O)CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1)c1ccccc1 ZINC000459584043 823225606 /nfs/dbraw/zinc/22/56/06/823225606.db2.gz ALPLGTOZOQPRAT-SFHVURJKSA-N 1 1 388.309 4.034 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cnc3cnccc3c2)C1 ZINC000409464171 823225797 /nfs/dbraw/zinc/22/57/97/823225797.db2.gz IODSLIJZDOZZJN-HDICACEKSA-N 1 1 388.515 4.038 20 0 GIADMO Cc1cnc([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000176515300 823226509 /nfs/dbraw/zinc/22/65/09/823226509.db2.gz GEBLXRLBVVOMIT-INIZCTEOSA-N 1 1 398.532 4.237 20 0 GIADMO Cc1cnc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000176515300 823226514 /nfs/dbraw/zinc/22/65/14/823226514.db2.gz GEBLXRLBVVOMIT-INIZCTEOSA-N 1 1 398.532 4.237 20 0 GIADMO C[C@@H]1CC[N@H+](Cn2c3ccccc3n(C(F)F)c2=S)C[C@@H]1n1ccnc1 ZINC000121671003 823227170 /nfs/dbraw/zinc/22/71/70/823227170.db2.gz XSYAPCMPISOJKZ-CJNGLKHVSA-N 1 1 377.464 4.304 20 0 GIADMO C[C@@H]1CC[N@@H+](Cn2c3ccccc3n(C(F)F)c2=S)C[C@@H]1n1ccnc1 ZINC000121671003 823227173 /nfs/dbraw/zinc/22/71/73/823227173.db2.gz XSYAPCMPISOJKZ-CJNGLKHVSA-N 1 1 377.464 4.304 20 0 GIADMO O=C(COc1ccsc1Cl)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571748730 823229174 /nfs/dbraw/zinc/22/91/74/823229174.db2.gz FFBNXKQUTCEILW-OAHLLOKOSA-N 1 1 390.892 4.021 20 0 GIADMO CCc1nnc(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)cc2)o1 ZINC000176532063 823230649 /nfs/dbraw/zinc/23/06/49/823230649.db2.gz SPKGLKMNNWFBNK-FQEVSTJZSA-N 1 1 390.487 4.292 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)c1cncc(F)c1 ZINC000459618907 823230632 /nfs/dbraw/zinc/23/06/32/823230632.db2.gz GZUJYEXRYMSEDT-IFXJQAMLSA-N 1 1 375.463 4.304 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000459621147 823231004 /nfs/dbraw/zinc/23/10/04/823231004.db2.gz JTJXWXPPBXXOPA-GRYCIOLGSA-N 1 1 386.496 4.468 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459633156 823233447 /nfs/dbraw/zinc/23/34/47/823233447.db2.gz DKESZSIGYSUFQG-AEFFLSMTSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459633156 823233450 /nfs/dbraw/zinc/23/34/50/823233450.db2.gz DKESZSIGYSUFQG-AEFFLSMTSA-N 1 1 398.469 4.311 20 0 GIADMO O=C(CC1CC(c2ccccc2)C1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000409490161 823233530 /nfs/dbraw/zinc/23/35/30/823233530.db2.gz DXEOYLYDRZCRAE-UHFFFAOYSA-N 1 1 378.516 4.084 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459633775 823233786 /nfs/dbraw/zinc/23/37/86/823233786.db2.gz FCGLNDUEYTYBKK-WBVHZDCISA-N 1 1 384.442 4.003 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459633775 823233789 /nfs/dbraw/zinc/23/37/89/823233789.db2.gz FCGLNDUEYTYBKK-WBVHZDCISA-N 1 1 384.442 4.003 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)N1CCC[C@H]1c1cccs1 ZINC000459634420 823234109 /nfs/dbraw/zinc/23/41/09/823234109.db2.gz MYJSNNYYFKJQKL-YDHLFZDLSA-N 1 1 375.563 4.096 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000459637099 823234750 /nfs/dbraw/zinc/23/47/50/823234750.db2.gz HZDWCHFTPIOJIQ-MRXNPFEDSA-N 1 1 377.834 4.400 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000459637241 823234788 /nfs/dbraw/zinc/23/47/88/823234788.db2.gz LKIWNRKBRQHIBL-GHMZBOCLSA-N 1 1 399.438 4.208 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1 ZINC000459636061 823234907 /nfs/dbraw/zinc/23/49/07/823234907.db2.gz PIPWUMHZKUYJJV-BEFAXECRSA-N 1 1 399.560 4.045 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459639952 823235104 /nfs/dbraw/zinc/23/51/04/823235104.db2.gz LBLAINUMZHGEOH-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459639952 823235112 /nfs/dbraw/zinc/23/51/12/823235112.db2.gz LBLAINUMZHGEOH-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000459637243 823235300 /nfs/dbraw/zinc/23/53/00/823235300.db2.gz LKIWNRKBRQHIBL-MNOVXSKESA-N 1 1 399.438 4.208 20 0 GIADMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459640522 823235561 /nfs/dbraw/zinc/23/55/61/823235561.db2.gz LMPGLHGDYUUEFW-DOTOQJQBSA-N 1 1 384.442 4.003 20 0 GIADMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459640522 823235564 /nfs/dbraw/zinc/23/55/64/823235564.db2.gz LMPGLHGDYUUEFW-DOTOQJQBSA-N 1 1 384.442 4.003 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)CC12CCOCC2 ZINC000459641145 823236083 /nfs/dbraw/zinc/23/60/83/823236083.db2.gz AQEDDVKHEUXKSW-IBGZPJMESA-N 1 1 399.453 4.419 20 0 GIADMO CC[C@H](NC(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000459642712 823236251 /nfs/dbraw/zinc/23/62/51/823236251.db2.gz ZMONUWDFYWCCSA-WFASDCNBSA-N 1 1 377.941 4.203 20 0 GIADMO CC[NH+](CC)[C@H](c1nc(C(C)(C)NC(=O)c2ccccc2)no1)c1ccccc1 ZINC000571803749 823236635 /nfs/dbraw/zinc/23/66/35/823236635.db2.gz PAIHDBLLRAMTCC-IBGZPJMESA-N 1 1 392.503 4.166 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC12CCOCC2 ZINC000459645433 823237052 /nfs/dbraw/zinc/23/70/52/823237052.db2.gz GPFHEGINFDPFSB-QGZVFWFLSA-N 1 1 379.426 4.258 20 0 GIADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1csc(Br)c1 ZINC000121720876 823237126 /nfs/dbraw/zinc/23/71/26/823237126.db2.gz BRSHYPRMTPHWTH-HOCLYGCPSA-N 1 1 391.334 4.267 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000188396718 823233193 /nfs/dbraw/zinc/23/31/93/823233193.db2.gz OPVZQTUHXNXVCZ-INIZCTEOSA-N 1 1 379.504 4.438 20 0 GIADMO Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000121748077 823242366 /nfs/dbraw/zinc/24/23/66/823242366.db2.gz PCTSDXQSMFDASF-UHFFFAOYSA-N 1 1 396.297 4.321 20 0 GIADMO COc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1SC ZINC000459647555 823238155 /nfs/dbraw/zinc/23/81/55/823238155.db2.gz ABWZKEFRTLMQFM-QAPCUYQASA-N 1 1 385.533 4.374 20 0 GIADMO CCn1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c2ccccc21 ZINC000459647933 823238170 /nfs/dbraw/zinc/23/81/70/823238170.db2.gz KSCQPXAHUGDIFY-GOSISDBHSA-N 1 1 381.442 4.237 20 0 GIADMO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000121748077 823242369 /nfs/dbraw/zinc/24/23/69/823242369.db2.gz PCTSDXQSMFDASF-UHFFFAOYSA-N 1 1 396.297 4.321 20 0 GIADMO CCC[C@@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992565 823238451 /nfs/dbraw/zinc/23/84/51/823238451.db2.gz ZXHZBQXPUBZNNT-OAHLLOKOSA-N 1 1 385.474 4.500 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@H]43)co2)cc1 ZINC000459648228 823238544 /nfs/dbraw/zinc/23/85/44/823238544.db2.gz BZXPQAHRJLOEHG-DLBZAZTESA-N 1 1 378.394 4.361 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@H]43)co2)cc1 ZINC000459648228 823238548 /nfs/dbraw/zinc/23/85/48/823238548.db2.gz BZXPQAHRJLOEHG-DLBZAZTESA-N 1 1 378.394 4.361 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000176569410 823239046 /nfs/dbraw/zinc/23/90/46/823239046.db2.gz HSVHKSFRNLLXJR-WTOYTKOKSA-N 1 1 378.520 4.078 20 0 GIADMO Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(-c2cccs2)n1 ZINC000459650612 823239313 /nfs/dbraw/zinc/23/93/13/823239313.db2.gz NQQZIUYFMBOSPG-MRXNPFEDSA-N 1 1 399.482 4.330 20 0 GIADMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651206 823239340 /nfs/dbraw/zinc/23/93/40/823239340.db2.gz OVIAKXPNSDZFIA-LJQANCHMSA-N 1 1 393.453 4.362 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)CC12CCOCC2 ZINC000459651274 823239355 /nfs/dbraw/zinc/23/93/55/823239355.db2.gz PFGQSEDVKVAMRI-INIZCTEOSA-N 1 1 397.466 4.386 20 0 GIADMO CCN(C(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459651497 823239588 /nfs/dbraw/zinc/23/95/88/823239588.db2.gz ZCDIKCQXVHECDL-SJLPKXTDSA-N 1 1 398.469 4.109 20 0 GIADMO CCN(C(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459651498 823239642 /nfs/dbraw/zinc/23/96/42/823239642.db2.gz ZCDIKCQXVHECDL-WMZOPIPTSA-N 1 1 398.469 4.109 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)CC12CCOCC2 ZINC000459652846 823239846 /nfs/dbraw/zinc/23/98/46/823239846.db2.gz QXHVNCFVEPAJNR-CABCVRRESA-N 1 1 390.471 4.176 20 0 GIADMO CCn1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nc2cc(F)ccc21 ZINC000459653171 823239880 /nfs/dbraw/zinc/23/98/80/823239880.db2.gz CZGLBXTUDDVJSX-QGZVFWFLSA-N 1 1 399.432 4.376 20 0 GIADMO CCn1c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nc2cc(F)ccc21 ZINC000459653171 823239883 /nfs/dbraw/zinc/23/98/83/823239883.db2.gz CZGLBXTUDDVJSX-QGZVFWFLSA-N 1 1 399.432 4.376 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459652413 823240160 /nfs/dbraw/zinc/24/01/60/823240160.db2.gz QPVYMTCWXNISIS-QGZVFWFLSA-N 1 1 397.416 4.397 20 0 GIADMO CC(=O)Nc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000188437909 823240858 /nfs/dbraw/zinc/24/08/58/823240858.db2.gz KIVZJYFGEFXQIS-UTKZUKDTSA-N 1 1 393.531 4.079 20 0 GIADMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000459655807 823241415 /nfs/dbraw/zinc/24/14/15/823241415.db2.gz VFDDVOOSRWTACI-INIZCTEOSA-N 1 1 383.414 4.159 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)CC12CCOCC2 ZINC000459656882 823241763 /nfs/dbraw/zinc/24/17/63/823241763.db2.gz WFZWZCRXOANMJF-OAHLLOKOSA-N 1 1 385.455 4.319 20 0 GIADMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121751217 823242842 /nfs/dbraw/zinc/24/28/42/823242842.db2.gz VOWXBYZDWQRGHK-OAHLLOKOSA-N 1 1 390.409 4.136 20 0 GIADMO Cc1ccc(CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)s1 ZINC000057047474 823243151 /nfs/dbraw/zinc/24/31/51/823243151.db2.gz SDEROTRLZIXQRA-UHFFFAOYSA-N 1 1 396.478 4.399 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2CCc3cccc(F)c3[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000571842126 823243304 /nfs/dbraw/zinc/24/33/04/823243304.db2.gz PQGNEHCHOCQFAH-IRXDYDNUSA-N 1 1 397.494 4.370 20 0 GIADMO Fc1ccc(-n2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)n2)cc1 ZINC000459661620 823243896 /nfs/dbraw/zinc/24/38/96/823243896.db2.gz MSTBUIVKHBLKQJ-SFHVURJKSA-N 1 1 397.416 4.192 20 0 GIADMO Fc1ccc(-n2ccc(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)n2)cc1 ZINC000459661620 823243900 /nfs/dbraw/zinc/24/39/00/823243900.db2.gz MSTBUIVKHBLKQJ-SFHVURJKSA-N 1 1 397.416 4.192 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3cc[nH]c(=O)c3c2)[C@@H]1c1cccs1 ZINC000571876403 823249066 /nfs/dbraw/zinc/24/90/66/823249066.db2.gz RVKWOZYSEXXHSZ-HNAYVOBHSA-N 1 1 396.516 4.207 20 0 GIADMO CCN(C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[C@@H](C)c1ccc(F)cc1 ZINC000057118186 823250584 /nfs/dbraw/zinc/25/05/84/823250584.db2.gz DCXKSHHMPCSXEG-HNNXBMFYSA-N 1 1 381.455 4.008 20 0 GIADMO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c(-c2ccccc2)cc1OC ZINC000459692596 823251550 /nfs/dbraw/zinc/25/15/50/823251550.db2.gz FCMYMRKHMMPFBG-UHFFFAOYSA-N 1 1 380.492 4.076 20 0 GIADMO CCc1ccc(CN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C2CC2)cc1 ZINC000057127753 823251966 /nfs/dbraw/zinc/25/19/66/823251966.db2.gz FVNCDFQJZAGNKU-UHFFFAOYSA-N 1 1 389.503 4.012 20 0 GIADMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)o1 ZINC000571916008 823253523 /nfs/dbraw/zinc/25/35/23/823253523.db2.gz RGDHHPDJSOCSEL-MSOLQXFVSA-N 1 1 394.475 4.091 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC(F)(F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000409597504 823257715 /nfs/dbraw/zinc/25/77/15/823257715.db2.gz BBLZHWGOAVNTOS-COXVUDFISA-N 1 1 385.886 4.210 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC(F)(F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000409597504 823257716 /nfs/dbraw/zinc/25/77/16/823257716.db2.gz BBLZHWGOAVNTOS-COXVUDFISA-N 1 1 385.886 4.210 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1 ZINC000121802637 823254327 /nfs/dbraw/zinc/25/43/27/823254327.db2.gz RXAHPTKKOWXEEZ-SZNDQCEHSA-N 1 1 378.451 4.368 20 0 GIADMO COc1c(C)cnc(CN2CCC([N@@H+](C)C[C@@H]3C[C@@H]3c3ccccc3)CC2)c1C ZINC000571924225 823254887 /nfs/dbraw/zinc/25/48/87/823254887.db2.gz FMSOJGLNSZNPBI-JTHBVZDNSA-N 1 1 393.575 4.407 20 0 GIADMO COc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057153380 823255849 /nfs/dbraw/zinc/25/58/49/823255849.db2.gz XINVQYRHXDSZOK-FYYLOGMGSA-N 1 1 378.516 4.271 20 0 GIADMO O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057154094 823256119 /nfs/dbraw/zinc/25/61/19/823256119.db2.gz CFMHYNDKYMXYIE-FQEVSTJZSA-N 1 1 397.906 4.070 20 0 GIADMO C[N@@H+](CCO)Cc1cc(NCc2cc(Br)cs2)ccc1Cl ZINC000571943936 823258199 /nfs/dbraw/zinc/25/81/99/823258199.db2.gz KNPOVCMNLFPYLQ-UHFFFAOYSA-N 1 1 389.746 4.200 20 0 GIADMO c1c(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c(-c2ccccn2)nn1C1CCCC1 ZINC000459721561 823256513 /nfs/dbraw/zinc/25/65/13/823256513.db2.gz ORDMAZUZQJKRGA-FPOVZHCZSA-N 1 1 378.520 4.061 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000409593759 823256792 /nfs/dbraw/zinc/25/67/92/823256792.db2.gz JFJABZAIVUWYSS-MRXNPFEDSA-N 1 1 387.911 4.191 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000409593759 823256795 /nfs/dbraw/zinc/25/67/95/823256795.db2.gz JFJABZAIVUWYSS-MRXNPFEDSA-N 1 1 387.911 4.191 20 0 GIADMO O=C(c1ccc[nH]c1=S)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000176669223 823263044 /nfs/dbraw/zinc/26/30/44/823263044.db2.gz IXHLILQEXIAANV-UHFFFAOYSA-N 1 1 381.545 4.405 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000176658997 823259746 /nfs/dbraw/zinc/25/97/46/823259746.db2.gz NFUZYFNDACYINB-UEVCKROQSA-N 1 1 379.548 4.137 20 0 GIADMO C[C@@H]([NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccn(C)n1 ZINC000459749348 823260055 /nfs/dbraw/zinc/26/00/55/823260055.db2.gz KLSZQMNWQJBQKP-KUHUBIRLSA-N 1 1 385.309 4.212 20 0 GIADMO C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)[C@H]1CCCOC1 ZINC000571961508 823260991 /nfs/dbraw/zinc/26/09/91/823260991.db2.gz ZCLBIRPBLYLDDT-SFHVURJKSA-N 1 1 391.309 4.034 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)cs1 ZINC000459761926 823261646 /nfs/dbraw/zinc/26/16/46/823261646.db2.gz NHQNANOAUZWCLQ-UXHICEINSA-N 1 1 399.560 4.437 20 0 GIADMO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000459769609 823262525 /nfs/dbraw/zinc/26/25/25/823262525.db2.gz RQBHIIAHXNMQQO-MRXNPFEDSA-N 1 1 397.519 4.275 20 0 GIADMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000459769609 823262529 /nfs/dbraw/zinc/26/25/29/823262529.db2.gz RQBHIIAHXNMQQO-MRXNPFEDSA-N 1 1 397.519 4.275 20 0 GIADMO CC(C)(C)c1nc(C[NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)cs1 ZINC000459778857 823264249 /nfs/dbraw/zinc/26/42/49/823264249.db2.gz ZTYCTRDSHZZZIX-CABCVRRESA-N 1 1 396.354 4.218 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NCCc2nc3c(cccc3C)o2)cc1)C(C)C ZINC000409627973 823265810 /nfs/dbraw/zinc/26/58/10/823265810.db2.gz AVEQEUMEWFWCRE-UHFFFAOYSA-N 1 1 379.504 4.339 20 0 GIADMO O[C@@H]1CC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@H]1C1CCCC1 ZINC000459815359 823266526 /nfs/dbraw/zinc/26/65/26/823266526.db2.gz YHKDBYYWQRZHHJ-VQTJNVASSA-N 1 1 390.524 4.234 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C[C@H]1C1CCCC1 ZINC000459815359 823266529 /nfs/dbraw/zinc/26/65/29/823266529.db2.gz YHKDBYYWQRZHHJ-VQTJNVASSA-N 1 1 390.524 4.234 20 0 GIADMO COCc1c(C(=O)Nc2cccnc2-n2cc[nH+]c2C)sc2cccc(F)c21 ZINC000057222216 823266585 /nfs/dbraw/zinc/26/65/85/823266585.db2.gz YUMHDBKEJIPHJO-UHFFFAOYSA-N 1 1 396.447 4.328 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000057221732 823266677 /nfs/dbraw/zinc/26/66/77/823266677.db2.gz GGPCMLIZBQZDQS-UHFFFAOYSA-N 1 1 384.439 4.407 20 0 GIADMO Cc1nc(COc2ccc(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2)no1 ZINC000121868986 823266848 /nfs/dbraw/zinc/26/68/48/823266848.db2.gz BETIVKGJKFNSCP-UHFFFAOYSA-N 1 1 379.435 4.385 20 0 GIADMO C[C@H](C[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1)C(=O)OC(C)(C)C ZINC000459826370 823266844 /nfs/dbraw/zinc/26/68/44/823266844.db2.gz MACLRGPXELZJHL-OLZOCXBDSA-N 1 1 379.501 4.315 20 0 GIADMO C[C@H](C[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1)C(=O)OC(C)(C)C ZINC000459826370 823266851 /nfs/dbraw/zinc/26/68/51/823266851.db2.gz MACLRGPXELZJHL-OLZOCXBDSA-N 1 1 379.501 4.315 20 0 GIADMO COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000057223859 823266953 /nfs/dbraw/zinc/26/69/53/823266953.db2.gz QRWSTYYUPRNZMF-KRWDZBQOSA-N 1 1 376.460 4.033 20 0 GIADMO Cc1nc([C@@H](C)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000572001514 823267888 /nfs/dbraw/zinc/26/78/88/823267888.db2.gz XKHKGNKMFUBMDU-DJKXOVBDSA-N 1 1 389.927 4.193 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000004417455 817525816 /nfs/dbraw/zinc/52/58/16/817525816.db2.gz MWBPONSJSHEABO-GOSISDBHSA-N 1 1 388.515 4.291 20 0 GIADMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccnc3c(Br)ccc(F)c23)C1 ZINC000409644597 823271869 /nfs/dbraw/zinc/27/18/69/823271869.db2.gz LEFVRWFIMKFIJL-GFCCVEGCSA-N 1 1 389.272 4.254 20 0 GIADMO Cc1nc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1Br ZINC000409645669 823272134 /nfs/dbraw/zinc/27/21/34/823272134.db2.gz OQAVDYQUUDRCKY-CQSZACIVSA-N 1 1 375.314 4.069 20 0 GIADMO O=C(N[C@H](c1cccc(F)c1)c1ccccn1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000121896534 823272219 /nfs/dbraw/zinc/27/22/19/823272219.db2.gz KZEGQRWARNFDDB-XMSQKQJNSA-N 1 1 381.495 4.081 20 0 GIADMO CC1=NN(c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc2)CC1 ZINC000176724075 823278002 /nfs/dbraw/zinc/27/80/02/823278002.db2.gz RTGLBNKTRUBGMM-KNQAVFIVSA-N 1 1 390.531 4.056 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)C(C)(F)F)c1 ZINC000460016438 823279193 /nfs/dbraw/zinc/27/91/93/823279193.db2.gz KLFPAIJWTCGLFP-CYBMUJFWSA-N 1 1 399.457 4.259 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)C(C)(F)F)c1 ZINC000460016438 823279202 /nfs/dbraw/zinc/27/92/02/823279202.db2.gz KLFPAIJWTCGLFP-CYBMUJFWSA-N 1 1 399.457 4.259 20 0 GIADMO CCC1(CO)CC[NH+](Cc2cc(Br)cc(Br)c2)CC1 ZINC000572079741 823279308 /nfs/dbraw/zinc/27/93/08/823279308.db2.gz OQPIWERBCGPJBI-UHFFFAOYSA-N 1 1 391.147 4.196 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)N(C[C@H]1CCOC1)C1CC1)C1CCCCC1 ZINC000057286247 823275833 /nfs/dbraw/zinc/27/58/33/823275833.db2.gz NBCDVECJNOSPFA-LJQANCHMSA-N 1 1 399.579 4.162 20 0 GIADMO C[C@H](c1ccco1)N(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000121913277 823275920 /nfs/dbraw/zinc/27/59/20/823275920.db2.gz USXWJTUVGYRATP-SJORKVTESA-N 1 1 387.549 4.488 20 0 GIADMO C[C@@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066083 823276935 /nfs/dbraw/zinc/27/69/35/823276935.db2.gz CLZZMYODQKPDFA-FOIQADDNSA-N 1 1 388.353 4.405 20 0 GIADMO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066083 823276937 /nfs/dbraw/zinc/27/69/37/823276937.db2.gz CLZZMYODQKPDFA-FOIQADDNSA-N 1 1 388.353 4.405 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)CC1 ZINC000121922565 823277750 /nfs/dbraw/zinc/27/77/50/823277750.db2.gz HRAUDHWCDRPIAD-UHFFFAOYSA-N 1 1 392.478 4.080 20 0 GIADMO O=C(c1ccc(-c2ccc(Br)s2)s1)N1CC[NH+]2CCC1CC2 ZINC000188672333 823284022 /nfs/dbraw/zinc/28/40/22/823284022.db2.gz MSHDRSMZVOXYEF-UHFFFAOYSA-N 1 1 397.363 4.159 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000121969389 823286441 /nfs/dbraw/zinc/28/64/41/823286441.db2.gz YBBWXEIWCMHVDA-UHFFFAOYSA-N 1 1 388.422 4.160 20 0 GIADMO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccc(O)cc4)CC3)c2cc1C(C)C ZINC000057406117 823291970 /nfs/dbraw/zinc/29/19/70/823291970.db2.gz CIRRYFVWRBOJEJ-UHFFFAOYSA-N 1 1 392.499 4.253 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000007447199 817843643 /nfs/dbraw/zinc/84/36/43/817843643.db2.gz BAHYZBACGNGCBQ-UHFFFAOYSA-N 1 1 395.503 4.008 20 0 GIADMO C[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000460135995 823293022 /nfs/dbraw/zinc/29/30/22/823293022.db2.gz ASHRGBBLYCFENW-OAGGEKHMSA-N 1 1 388.458 4.316 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)[C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)[nH+]c1 ZINC000409731941 823293448 /nfs/dbraw/zinc/29/34/48/823293448.db2.gz AWNVGSWJFKQMPY-HNNXBMFYSA-N 1 1 391.437 4.298 20 0 GIADMO CCCC[C@H](C)N(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000460137622 823293543 /nfs/dbraw/zinc/29/35/43/823293543.db2.gz SPVQWFQYFCSUIA-IPMKNSEASA-N 1 1 375.557 4.016 20 0 GIADMO CC[C@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000460140614 823294810 /nfs/dbraw/zinc/29/48/10/823294810.db2.gz BOWDDGKXJAMYSU-ZLNRFVROSA-N 1 1 377.532 4.301 20 0 GIADMO C[N@H+](CCOc1ccccc1)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007647780 817887268 /nfs/dbraw/zinc/88/72/68/817887268.db2.gz BQNGJXSSUJDPLS-QFIPXVFZSA-N 1 1 398.503 4.104 20 0 GIADMO C[N@@H+](CCOc1ccccc1)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007647780 817887282 /nfs/dbraw/zinc/88/72/82/817887282.db2.gz BQNGJXSSUJDPLS-QFIPXVFZSA-N 1 1 398.503 4.104 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000007652920 817888420 /nfs/dbraw/zinc/88/84/20/817888420.db2.gz JKBVHXOMLFQDHU-ZDUSSCGKSA-N 1 1 381.303 4.311 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000007652920 817888428 /nfs/dbraw/zinc/88/84/28/817888428.db2.gz JKBVHXOMLFQDHU-ZDUSSCGKSA-N 1 1 381.303 4.311 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000007653148 817888456 /nfs/dbraw/zinc/88/84/56/817888456.db2.gz NGVVNRLUBDNCDQ-UHFFFAOYSA-N 1 1 386.801 4.438 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000007653148 817888465 /nfs/dbraw/zinc/88/84/65/817888465.db2.gz NGVVNRLUBDNCDQ-UHFFFAOYSA-N 1 1 386.801 4.438 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000572184625 823296349 /nfs/dbraw/zinc/29/63/49/823296349.db2.gz DLNIRARSGAEQRW-KRWDZBQOSA-N 1 1 383.511 4.494 20 0 GIADMO COc1ccccc1[C@@H](CNCc1c(F)cccc1N1CCCC1)[NH+]1CCCC1 ZINC000409741721 823296575 /nfs/dbraw/zinc/29/65/75/823296575.db2.gz PTBNFWSIUDBOHF-HSZRJFAPSA-N 1 1 397.538 4.361 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409761151 823301165 /nfs/dbraw/zinc/30/11/65/823301165.db2.gz BBSQGYVMAFAPJC-HSZRJFAPSA-N 1 1 378.560 4.278 20 0 GIADMO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1CCC(C)C ZINC000122066684 823301309 /nfs/dbraw/zinc/30/13/09/823301309.db2.gz OCZVQELQVNCVGB-DENIHFKCSA-N 1 1 396.579 4.363 20 0 GIADMO C[C@@H](c1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000460160278 823301666 /nfs/dbraw/zinc/30/16/66/823301666.db2.gz KJDDPIZWTMDXLT-OXJNMPFZSA-N 1 1 382.529 4.298 20 0 GIADMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000572204012 823299367 /nfs/dbraw/zinc/29/93/67/823299367.db2.gz PXUQKIPMTBPLPY-HXUWFJFHSA-N 1 1 398.457 4.407 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188765183 823299945 /nfs/dbraw/zinc/29/99/45/823299945.db2.gz PTTCMFIRPUQJEC-WMZOPIPTSA-N 1 1 395.931 4.208 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cc2cncs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188765183 823299949 /nfs/dbraw/zinc/29/99/49/823299949.db2.gz PTTCMFIRPUQJEC-WMZOPIPTSA-N 1 1 395.931 4.208 20 0 GIADMO C[C@@H](c1ccco1)N(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000122099168 823306121 /nfs/dbraw/zinc/30/61/21/823306121.db2.gz HLCBWKHORZHMGY-ICSRJNTNSA-N 1 1 381.520 4.079 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000176845231 823307831 /nfs/dbraw/zinc/30/78/31/823307831.db2.gz LQPKCJUENUTWGA-XLIONFOSSA-N 1 1 394.987 4.162 20 0 GIADMO CCC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000011203581 818061778 /nfs/dbraw/zinc/06/17/78/818061778.db2.gz PFXROGWUWBRFEO-UHFFFAOYSA-N 1 1 379.504 4.054 20 0 GIADMO COc1ccc([C@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000057566267 823310422 /nfs/dbraw/zinc/31/04/22/823310422.db2.gz APTPYTHXDVQVDJ-FYYLOGMGSA-N 1 1 393.531 4.110 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C2CC2)cc1 ZINC000011438933 818081813 /nfs/dbraw/zinc/08/18/13/818081813.db2.gz DXTIPQLWFJWAMZ-HSZRJFAPSA-N 1 1 384.495 4.312 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C2CC2)cc1 ZINC000011438933 818081818 /nfs/dbraw/zinc/08/18/18/818081818.db2.gz DXTIPQLWFJWAMZ-HSZRJFAPSA-N 1 1 384.495 4.312 20 0 GIADMO Cc1ccc(C(C)(C)CN(C)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000176858021 823311430 /nfs/dbraw/zinc/31/14/30/823311430.db2.gz MFNMILYTOARTIB-UHFFFAOYSA-N 1 1 394.563 4.286 20 0 GIADMO CN(C)C(=O)Sc1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC000176874649 823315061 /nfs/dbraw/zinc/31/50/61/823315061.db2.gz UBWHYJBPNXSGKH-UHFFFAOYSA-N 1 1 383.311 4.448 20 0 GIADMO CN(C)C(=O)Sc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC000176874649 823315064 /nfs/dbraw/zinc/31/50/64/823315064.db2.gz UBWHYJBPNXSGKH-UHFFFAOYSA-N 1 1 383.311 4.448 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCc3cc(Cl)c(Cl)cc3[C@H]1C)CC2 ZINC000572293655 823315069 /nfs/dbraw/zinc/31/50/69/823315069.db2.gz HEKPIEPLUCSQOU-BXUZGUMPSA-N 1 1 378.303 4.207 20 0 GIADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cccc(Br)c1 ZINC000011752804 818116656 /nfs/dbraw/zinc/11/66/56/818116656.db2.gz KUAGMRDNGYQIDP-MJGOQNOKSA-N 1 1 385.305 4.206 20 0 GIADMO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H](c3cccs3)C3CC3)co2)cc1 ZINC000572285466 823313548 /nfs/dbraw/zinc/31/35/48/823313548.db2.gz OGOBHRAMBISZSR-SFHVURJKSA-N 1 1 388.514 4.048 20 0 GIADMO Cc1oc(-c2ccccc2)c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1C ZINC000188825940 823313741 /nfs/dbraw/zinc/31/37/41/823313741.db2.gz SUTUKZUXAQYRCI-UHFFFAOYSA-N 1 1 377.488 4.392 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1OC(F)F ZINC000012284724 818152943 /nfs/dbraw/zinc/15/29/43/818152943.db2.gz WHUXQPJBNOXOCD-INIZCTEOSA-N 1 1 390.430 4.147 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2(c3ccccc3)CCC2)C[C@H](C)O1 ZINC000057644657 823317681 /nfs/dbraw/zinc/31/76/81/823317681.db2.gz AMSMMGKDUYWDEN-PMACEKPBSA-N 1 1 392.543 4.034 20 0 GIADMO Cc1ccc2cc(C(=O)NCc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000057643843 823317805 /nfs/dbraw/zinc/31/78/05/823317805.db2.gz VQXGEQIXWMVFIK-HDICACEKSA-N 1 1 391.515 4.016 20 0 GIADMO Cc1ccc2cc(C(=O)NCc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000057643843 823317813 /nfs/dbraw/zinc/31/78/13/823317813.db2.gz VQXGEQIXWMVFIK-HDICACEKSA-N 1 1 391.515 4.016 20 0 GIADMO CCCN(CC1CCCCC1)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000176887270 823317987 /nfs/dbraw/zinc/31/79/87/823317987.db2.gz ZIVULJASQBTNPE-UHFFFAOYSA-N 1 1 387.572 4.064 20 0 GIADMO CCn1c(Cc2cccc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460213328 823319407 /nfs/dbraw/zinc/31/94/07/823319407.db2.gz UXQJLGKBAJZECP-XMSQKQJNSA-N 1 1 391.563 4.209 20 0 GIADMO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000188878896 823321875 /nfs/dbraw/zinc/32/18/75/823321875.db2.gz IDGKHZIOLOXJTO-QGZVFWFLSA-N 1 1 380.469 4.461 20 0 GIADMO C[C@@H]1C[C@@H](N(C)Cc2noc(-c3ccsc3)n2)CC[N@H+]1Cc1ccccc1 ZINC000176917227 823323783 /nfs/dbraw/zinc/32/37/83/823323783.db2.gz KCWTWFSIFWIXOL-APWZRJJASA-N 1 1 382.533 4.283 20 0 GIADMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000015042001 818285930 /nfs/dbraw/zinc/28/59/30/818285930.db2.gz GOCCXNDBSSOWNV-UHFFFAOYSA-N 1 1 389.293 4.005 20 0 GIADMO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000015298188 818308783 /nfs/dbraw/zinc/30/87/83/818308783.db2.gz XQCYFEXBHHNMDL-XLIONFOSSA-N 1 1 384.520 4.182 20 0 GIADMO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000015298188 818308789 /nfs/dbraw/zinc/30/87/89/818308789.db2.gz XQCYFEXBHHNMDL-XLIONFOSSA-N 1 1 384.520 4.182 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000015301201 818309763 /nfs/dbraw/zinc/30/97/63/818309763.db2.gz GTLARHDTUDKGJZ-INIZCTEOSA-N 1 1 391.414 4.405 20 0 GIADMO CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cs1 ZINC000122280120 823331899 /nfs/dbraw/zinc/33/18/99/823331899.db2.gz PYJQRKOGMRCHOT-UONOGXRCSA-N 1 1 383.521 4.321 20 0 GIADMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015372322 818319077 /nfs/dbraw/zinc/31/90/77/818319077.db2.gz LGIQGCRYGZKRII-HXUWFJFHSA-N 1 1 379.460 4.481 20 0 GIADMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015372322 818319085 /nfs/dbraw/zinc/31/90/85/818319085.db2.gz LGIQGCRYGZKRII-HXUWFJFHSA-N 1 1 379.460 4.481 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCc2ccccc21 ZINC000015404712 818321527 /nfs/dbraw/zinc/32/15/27/818321527.db2.gz KJCFRUHTIUNQQP-QFIPXVFZSA-N 1 1 391.515 4.151 20 0 GIADMO COc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1F ZINC000057752912 823328575 /nfs/dbraw/zinc/32/85/75/823328575.db2.gz YIMRFBQHZQEFMF-INIZCTEOSA-N 1 1 385.483 4.388 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(Cl)nc3ccccc23)C1 ZINC000188928080 823329731 /nfs/dbraw/zinc/32/97/31/823329731.db2.gz LPBXEAHESJEVFK-AWEZNQCLSA-N 1 1 375.900 4.235 20 0 GIADMO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000122264438 823329842 /nfs/dbraw/zinc/32/98/42/823329842.db2.gz BACNLESRSNHRJQ-OGYWWWNNSA-N 1 1 399.556 4.082 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000176948843 823332168 /nfs/dbraw/zinc/33/21/68/823332168.db2.gz CFWBFWQEZHFLGO-DZGCQCFKSA-N 1 1 377.410 4.279 20 0 GIADMO Cc1cc(Br)cc(C)c1NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000057772967 823330895 /nfs/dbraw/zinc/33/08/95/823330895.db2.gz RVDVPNIDJYJRGN-LSDHHAIUSA-N 1 1 382.346 4.450 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)[C@H](C)C1 ZINC000122273946 823331006 /nfs/dbraw/zinc/33/10/06/823331006.db2.gz VADOBSAMUWVESH-XMSQKQJNSA-N 1 1 393.531 4.050 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)N([C@@H](C)C(C)C)C3CC3)CC2)cs1 ZINC000122275309 823331243 /nfs/dbraw/zinc/33/12/43/823331243.db2.gz NPCIGNGOGYRXQL-INIZCTEOSA-N 1 1 392.613 4.136 20 0 GIADMO C[C@@H](C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122286632 823332478 /nfs/dbraw/zinc/33/24/78/823332478.db2.gz RTKDWOCZRRRTQZ-CRWXNKLISA-N 1 1 389.487 4.129 20 0 GIADMO CCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OCCC ZINC000122294471 823333609 /nfs/dbraw/zinc/33/36/09/823333609.db2.gz HBQJQMFEQQBZJE-PKOBYXMFSA-N 1 1 376.541 4.067 20 0 GIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)CC(C)C)CC2 ZINC000122298354 823334129 /nfs/dbraw/zinc/33/41/29/823334129.db2.gz CZRDVHHANRMRSU-UHFFFAOYSA-N 1 1 382.504 4.247 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)CC(C)C)CC2 ZINC000122298354 823334136 /nfs/dbraw/zinc/33/41/36/823334136.db2.gz CZRDVHHANRMRSU-UHFFFAOYSA-N 1 1 382.504 4.247 20 0 GIADMO CC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1nc(C)cs1 ZINC000460264203 823334699 /nfs/dbraw/zinc/33/46/99/823334699.db2.gz GZTDSUIEHMXDOD-UFYCRDLUSA-N 1 1 398.576 4.066 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1OC ZINC000016376830 818430747 /nfs/dbraw/zinc/43/07/47/818430747.db2.gz RUNFHIPZGNZMKF-KRWDZBQOSA-N 1 1 392.499 4.166 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1OC ZINC000016376830 818430750 /nfs/dbraw/zinc/43/07/50/818430750.db2.gz RUNFHIPZGNZMKF-KRWDZBQOSA-N 1 1 392.499 4.166 20 0 GIADMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2)ccc1OC(F)F ZINC000016377893 818431457 /nfs/dbraw/zinc/43/14/57/818431457.db2.gz QUIOOWRKNYIZOA-AWEZNQCLSA-N 1 1 378.419 4.064 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2)ccc1OC(F)F ZINC000016377893 818431460 /nfs/dbraw/zinc/43/14/60/818431460.db2.gz QUIOOWRKNYIZOA-AWEZNQCLSA-N 1 1 378.419 4.064 20 0 GIADMO Oc1cccc(C[N@H+](CCSc2ccc(F)cc2)[C@H]2CC[C@H](O)CC2)c1 ZINC000572421275 823336260 /nfs/dbraw/zinc/33/62/60/823336260.db2.gz ZHZUPIJJMYXHQV-WGSAOQKQSA-N 1 1 375.509 4.429 20 0 GIADMO C[C@H]1CCN(C(=O)C[N@H+](C)CCOc2ccccc2F)c2ccccc2S1 ZINC000016422943 818441160 /nfs/dbraw/zinc/44/11/60/818441160.db2.gz OWVALFHEKCTLRC-INIZCTEOSA-N 1 1 388.508 4.054 20 0 GIADMO C[C@H]1CCN(C(=O)C[N@@H+](C)CCOc2ccccc2F)c2ccccc2S1 ZINC000016422943 818441168 /nfs/dbraw/zinc/44/11/68/818441168.db2.gz OWVALFHEKCTLRC-INIZCTEOSA-N 1 1 388.508 4.054 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000016421728 818441675 /nfs/dbraw/zinc/44/16/75/818441675.db2.gz HMKQTTAOZCYFIY-CQSZACIVSA-N 1 1 378.925 4.400 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000016421728 818441682 /nfs/dbraw/zinc/44/16/82/818441682.db2.gz HMKQTTAOZCYFIY-CQSZACIVSA-N 1 1 378.925 4.400 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000016446308 818443812 /nfs/dbraw/zinc/44/38/12/818443812.db2.gz XXFIQFNDWITMAH-KRWDZBQOSA-N 1 1 395.503 4.008 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccccc1 ZINC000016483173 818448467 /nfs/dbraw/zinc/44/84/67/818448467.db2.gz KBZCMOYLGPSFOP-HNNXBMFYSA-N 1 1 375.310 4.148 20 0 GIADMO COc1ccc(CCCN(C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000057823254 823338057 /nfs/dbraw/zinc/33/80/57/823338057.db2.gz XPPBVGXIXKPSSL-BGYRXZFFSA-N 1 1 389.584 4.027 20 0 GIADMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)c3ccoc3C3CC3)cc2)C[C@H]1C ZINC000409898296 823339096 /nfs/dbraw/zinc/33/90/96/823339096.db2.gz XYJVICIBICJONV-HDICACEKSA-N 1 1 396.531 4.096 20 0 GIADMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000122331793 823339450 /nfs/dbraw/zinc/33/94/50/823339450.db2.gz QYHQDNXLUGAYRS-WBMJQRKESA-N 1 1 393.434 4.358 20 0 GIADMO CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000176973220 823339627 /nfs/dbraw/zinc/33/96/27/823339627.db2.gz DFUJPILDLFNJHA-XLIONFOSSA-N 1 1 397.519 4.269 20 0 GIADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000122335449 823340091 /nfs/dbraw/zinc/34/00/91/823340091.db2.gz KMVFVXSBDYAHPE-NRSPTQNISA-N 1 1 387.568 4.107 20 0 GIADMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(OCc2cccnc2)c1 ZINC000572444889 823340423 /nfs/dbraw/zinc/34/04/23/823340423.db2.gz JQBCKDLLQCWZHU-JOCHJYFZSA-N 1 1 375.472 4.401 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(OCc2cccnc2)c1 ZINC000572444889 823340431 /nfs/dbraw/zinc/34/04/31/823340431.db2.gz JQBCKDLLQCWZHU-JOCHJYFZSA-N 1 1 375.472 4.401 20 0 GIADMO Cc1cccc(NC(=O)CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000057843724 823340661 /nfs/dbraw/zinc/34/06/61/823340661.db2.gz YDGHOLXQIWYCSP-UHFFFAOYSA-N 1 1 379.548 4.086 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843942 823340710 /nfs/dbraw/zinc/34/07/10/823340710.db2.gz IBGGETSJTDLLEN-HXUWFJFHSA-N 1 1 379.548 4.166 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843942 823340717 /nfs/dbraw/zinc/34/07/17/823340717.db2.gz IBGGETSJTDLLEN-HXUWFJFHSA-N 1 1 379.548 4.166 20 0 GIADMO C[NH+]1CCC(NCc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC000017314094 818508509 /nfs/dbraw/zinc/50/85/09/818508509.db2.gz ZNOZRFXRNCUJOA-UHFFFAOYSA-N 1 1 394.950 4.436 20 0 GIADMO CCCCOc1ccc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cn1 ZINC000572449737 823341562 /nfs/dbraw/zinc/34/15/62/823341562.db2.gz VRZQNSWMFVWQDF-UHFFFAOYSA-N 1 1 384.480 4.039 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CCc1nc2ccccc2s1)c1ccccc1Cl ZINC000017909302 818532343 /nfs/dbraw/zinc/53/23/43/818532343.db2.gz JDKCGSWEBOEHPY-KRWDZBQOSA-N 1 1 387.936 4.301 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000189030321 823344743 /nfs/dbraw/zinc/34/47/43/823344743.db2.gz UWHFPPAHIDXFDQ-HZPDHXFCSA-N 1 1 390.478 4.101 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)CCCc2nc3ccccc3s2)CC1 ZINC000018110471 818546828 /nfs/dbraw/zinc/54/68/28/818546828.db2.gz NDKJSGUHDDYZMB-UHFFFAOYSA-N 1 1 393.556 4.272 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(Cl)nc3ccccc32)CC1 ZINC000018110489 818546984 /nfs/dbraw/zinc/54/69/84/818546984.db2.gz YHSJVJHQRJVHPM-UHFFFAOYSA-N 1 1 379.891 4.155 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)[C@H](C)C1 ZINC000122370684 823345187 /nfs/dbraw/zinc/34/51/87/823345187.db2.gz XDJDLYNSSSAKJO-UZUQRXQVSA-N 1 1 388.515 4.099 20 0 GIADMO Oc1ccccc1N1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000018708999 818575776 /nfs/dbraw/zinc/57/57/76/818575776.db2.gz OWULRMKNXNNJTB-UHFFFAOYSA-N 1 1 390.512 4.091 20 0 GIADMO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1cccc(F)c1 ZINC000019541097 818594666 /nfs/dbraw/zinc/59/46/66/818594666.db2.gz MTGHTZOKFQYFOR-AWEZNQCLSA-N 1 1 393.300 4.288 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1cccc(F)c1 ZINC000019541097 818594670 /nfs/dbraw/zinc/59/46/70/818594670.db2.gz MTGHTZOKFQYFOR-AWEZNQCLSA-N 1 1 393.300 4.288 20 0 GIADMO CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(OCC)cc2)cc1 ZINC000057947000 823349896 /nfs/dbraw/zinc/34/98/96/823349896.db2.gz HEXQEADPJFJSSV-CVDCTZTESA-N 1 1 385.504 4.061 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1nc(-c2ccccc2)cs1 ZINC000189051213 823348790 /nfs/dbraw/zinc/34/87/90/823348790.db2.gz HVNHUNSCVGRUCU-KXBFYZLASA-N 1 1 395.503 4.401 20 0 GIADMO C[N@@H+]1CCCN(C(=O)c2sc3cc(Br)ccc3c2Cl)CC1 ZINC000020501708 818623815 /nfs/dbraw/zinc/62/38/15/818623815.db2.gz HQLYWJBLYPFZJJ-UHFFFAOYSA-N 1 1 387.730 4.095 20 0 GIADMO C[N@H+]1CCCN(C(=O)c2sc3cc(Br)ccc3c2Cl)CC1 ZINC000020501708 818623821 /nfs/dbraw/zinc/62/38/21/818623821.db2.gz HQLYWJBLYPFZJJ-UHFFFAOYSA-N 1 1 387.730 4.095 20 0 GIADMO CCc1nc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cs1 ZINC000057979196 823352513 /nfs/dbraw/zinc/35/25/13/823352513.db2.gz ZGRXONYMGVXBIH-UHFFFAOYSA-N 1 1 375.501 4.243 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(-c3ccccc3Cl)s2)[C@H](C)C1 ZINC000122449937 823355920 /nfs/dbraw/zinc/35/59/20/823355920.db2.gz JOMJBBUVASQLPH-CZUORRHYSA-N 1 1 377.941 4.266 20 0 GIADMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)C1 ZINC000177039201 823356621 /nfs/dbraw/zinc/35/66/21/823356621.db2.gz SYVNPUGHYJSOLD-AWEZNQCLSA-N 1 1 385.430 4.114 20 0 GIADMO Cc1ccc(C[C@H]([NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c2ccccn2)cc1 ZINC000122462004 823357694 /nfs/dbraw/zinc/35/76/94/823357694.db2.gz MLUBFPPCUQYNBL-XXBNENTESA-N 1 1 394.540 4.126 20 0 GIADMO CC(C)c1c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000177043602 823357860 /nfs/dbraw/zinc/35/78/60/823357860.db2.gz HTGMSAGQXQQLLL-HOCLYGCPSA-N 1 1 386.927 4.004 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccccc2F)no1)c1ccc(F)cc1 ZINC000189126546 823361237 /nfs/dbraw/zinc/36/12/37/823361237.db2.gz GFZKMUBBHYZDLH-LPHOPBHVSA-N 1 1 385.414 4.103 20 0 GIADMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000021673114 818723871 /nfs/dbraw/zinc/72/38/71/818723871.db2.gz XMGOFBAXVTXMFO-HXUWFJFHSA-N 1 1 396.487 4.022 20 0 GIADMO C[C@@H]1CN(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CCC1(F)F ZINC000460339979 823358265 /nfs/dbraw/zinc/35/82/65/823358265.db2.gz QYRKCHAYXQJJAM-VQIMIIECSA-N 1 1 393.522 4.146 20 0 GIADMO Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)cc12 ZINC000409976164 823359738 /nfs/dbraw/zinc/35/97/38/823359738.db2.gz JNBBYYZRADKXMK-QGZVFWFLSA-N 1 1 396.560 4.246 20 0 GIADMO Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)ccc1Br ZINC000460347124 823359895 /nfs/dbraw/zinc/35/98/95/823359895.db2.gz IMOTWEFYMLNJBY-ACJLOTCBSA-N 1 1 388.309 4.174 20 0 GIADMO Cc1cc(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)ccc1Br ZINC000460347124 823359900 /nfs/dbraw/zinc/35/99/00/823359900.db2.gz IMOTWEFYMLNJBY-ACJLOTCBSA-N 1 1 388.309 4.174 20 0 GIADMO Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC([C@H]4CCCO4)CC3)cs2)cc1 ZINC000189116506 823360059 /nfs/dbraw/zinc/36/00/59/823360059.db2.gz XVXDIXPCCZKZNO-HXUWFJFHSA-N 1 1 399.560 4.024 20 0 GIADMO Cc1cc(CNC(=O)NC(C)(C)CCc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000460348629 823360488 /nfs/dbraw/zinc/36/04/88/823360488.db2.gz PZOXCXHPCDFUQR-UHFFFAOYSA-N 1 1 380.536 4.201 20 0 GIADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1(C(F)F)CCCC1 ZINC000572560317 823360773 /nfs/dbraw/zinc/36/07/73/823360773.db2.gz OOEHAFCLQPBIHB-OAHLLOKOSA-N 1 1 390.396 4.221 20 0 GIADMO CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000122481356 823360930 /nfs/dbraw/zinc/36/09/30/823360930.db2.gz FMRHAIOCPWXBLO-QHCPKHFHSA-N 1 1 376.431 4.346 20 0 GIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)C1 ZINC000409983507 823362162 /nfs/dbraw/zinc/36/21/62/823362162.db2.gz HIYPRPBQEFCMIS-SFHVURJKSA-N 1 1 383.561 4.311 20 0 GIADMO Cc1csc(C2([NH2+][C@H](C)C(=O)Nc3cccc(Br)c3)CCC2)n1 ZINC000460355597 823362340 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377.579 4.090 20 0 GIADMO CC[N@H+]1C[C@H](C)N(C(=O)C(C)(C)c2csc(-c3cccs3)n2)C[C@H]1C ZINC000409991633 823364946 /nfs/dbraw/zinc/36/49/46/823364946.db2.gz JKPCPCHYFXERLO-KGLIPLIRSA-N 1 1 377.579 4.090 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000189151130 823365777 /nfs/dbraw/zinc/36/57/77/823365777.db2.gz KFHGXCSNAPJISE-CQSZACIVSA-N 1 1 381.442 4.232 20 0 GIADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000572592279 823366619 /nfs/dbraw/zinc/36/66/19/823366619.db2.gz BNQPSHRMPNNYPH-KFZJALRRSA-N 1 1 385.335 4.336 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)c2nc3c(s2)CCC3)cc1 ZINC000572602900 823368356 /nfs/dbraw/zinc/36/83/56/823368356.db2.gz ZOEBNKGPOCMWDD-KGLIPLIRSA-N 1 1 395.532 4.247 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2CNC2CC[NH+](C3CC3)CC2)o1 ZINC000022820531 818864108 /nfs/dbraw/zinc/86/41/08/818864108.db2.gz ATDCXOYFXJYYKV-UHFFFAOYSA-N 1 1 376.504 4.157 20 0 GIADMO CCc1cccc(C)c1NC(=O)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022844940 818866689 /nfs/dbraw/zinc/86/66/89/818866689.db2.gz QBXHIKQIQMJHSZ-UHFFFAOYSA-N 1 1 399.966 4.357 20 0 GIADMO CCc1cccc(C)c1NC(=O)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022844940 818866691 /nfs/dbraw/zinc/86/66/91/818866691.db2.gz QBXHIKQIQMJHSZ-UHFFFAOYSA-N 1 1 399.966 4.357 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)CCSc2ccnc3cc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000177102912 823371683 /nfs/dbraw/zinc/37/16/83/823371683.db2.gz RTJDIUUJEWKQMF-UKRRQHHQSA-N 1 1 389.952 4.112 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000058275677 823373976 /nfs/dbraw/zinc/37/39/76/823373976.db2.gz BBPPMZLWMUAFAP-SQNIBIBYSA-N 1 1 383.561 4.194 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000058275260 823374074 /nfs/dbraw/zinc/37/40/74/823374074.db2.gz UOSBRDNGLKRXQV-OAHLLOKOSA-N 1 1 398.551 4.151 20 0 GIADMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(Cl)c1OC ZINC000572647097 823374932 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4.156 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(C3CC3)nc3ccccc32)CC1 ZINC000023787904 818984394 /nfs/dbraw/zinc/98/43/94/818984394.db2.gz WNRNULKNARAJPR-UHFFFAOYSA-N 1 1 385.511 4.379 20 0 GIADMO O=C1CC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000023846558 818985953 /nfs/dbraw/zinc/98/59/53/818985953.db2.gz XVLRLHLNNASFBS-MRXNPFEDSA-N 1 1 397.544 4.143 20 0 GIADMO O=C1CC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000023846558 818985960 /nfs/dbraw/zinc/98/59/60/818985960.db2.gz XVLRLHLNNASFBS-MRXNPFEDSA-N 1 1 397.544 4.143 20 0 GIADMO Cc1ccc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1F ZINC000023875760 818988765 /nfs/dbraw/zinc/98/87/65/818988765.db2.gz DEGYTMNNJMNORR-UHFFFAOYSA-N 1 1 383.854 4.298 20 0 GIADMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000572669173 823379152 /nfs/dbraw/zinc/37/91/52/823379152.db2.gz MQEDQNUNGXFQHC-OTWHNJEPSA-N 1 1 382.470 4.478 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2CCCC(=O)Nc2ccccc2C(C)=O)c1 ZINC000572673331 823379869 /nfs/dbraw/zinc/37/98/69/823379869.db2.gz DNTANKMJOMSXJL-QFIPXVFZSA-N 1 1 380.488 4.454 20 0 GIADMO COc1ccc(-c2cnc(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)cc1 ZINC000177146439 823382272 /nfs/dbraw/zinc/38/22/72/823382272.db2.gz AJDLBUFQQRZTIO-HXUWFJFHSA-N 1 1 378.472 4.184 20 0 GIADMO Cc1cc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)sc1Br ZINC000572683334 823382287 /nfs/dbraw/zinc/38/22/87/823382287.db2.gz QQEZEOOSEGVMON-ZDUSSCGKSA-N 1 1 385.327 4.215 20 0 GIADMO Cc1cc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)sc1Br ZINC000572683334 823382292 /nfs/dbraw/zinc/38/22/92/823382292.db2.gz QQEZEOOSEGVMON-ZDUSSCGKSA-N 1 1 385.327 4.215 20 0 GIADMO Cc1ccc2cc(C[NH2+]Cc3ccccc3CN3C[C@@H](C)O[C@@H](C)C3)ccc2n1 ZINC000189271039 823384215 /nfs/dbraw/zinc/38/42/15/823384215.db2.gz XCZJDUWCILYMBM-BGYRXZFFSA-N 1 1 389.543 4.442 20 0 GIADMO O[C@H](C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1)c1ccco1 ZINC000177153710 823385124 /nfs/dbraw/zinc/38/51/24/823385124.db2.gz LBIMLRYHZJKXJN-HXUWFJFHSA-N 1 1 389.455 4.108 20 0 GIADMO CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000410084423 823386822 /nfs/dbraw/zinc/38/68/22/823386822.db2.gz DYQUUQNGSBOPMO-QUCCMNQESA-N 1 1 397.588 4.333 20 0 GIADMO O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000177167766 823389183 /nfs/dbraw/zinc/38/91/83/823389183.db2.gz IBCNPACWLQAFKK-UHFFFAOYSA-N 1 1 390.487 4.445 20 0 GIADMO Cc1cc(C)n([C@H](C)CC(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)n1 ZINC000410107441 823393808 /nfs/dbraw/zinc/39/38/08/823393808.db2.gz VINYQFIRSYCTPF-DENIHFKCSA-N 1 1 396.579 4.040 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NCC2CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000410102384 823392338 /nfs/dbraw/zinc/39/23/38/823392338.db2.gz BVLMOEKNVJTRBG-VQIMIIECSA-N 1 1 379.495 4.164 20 0 GIADMO O=C(c1c[nH]cc1-c1ccccc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572729119 823389861 /nfs/dbraw/zinc/38/98/61/823389861.db2.gz PNTNRSXJLCDPTN-VWLOTQADSA-N 1 1 385.511 4.420 20 0 GIADMO CCCN(C)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000058437009 823391189 /nfs/dbraw/zinc/39/11/89/823391189.db2.gz CEBRLUOTUIIRNS-UHFFFAOYSA-N 1 1 397.519 4.136 20 0 GIADMO CCCN(C)C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000058437009 823391194 /nfs/dbraw/zinc/39/11/94/823391194.db2.gz CEBRLUOTUIIRNS-UHFFFAOYSA-N 1 1 397.519 4.136 20 0 GIADMO Cc1ccc2cc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CCN(C)CC3)ccc2n1 ZINC000189320631 823393738 /nfs/dbraw/zinc/39/37/38/823393738.db2.gz BPMUOARMKFJLMT-SFHVURJKSA-N 1 1 392.522 4.285 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CCC(F)(F)CC1 ZINC000410109917 823394319 /nfs/dbraw/zinc/39/43/19/823394319.db2.gz RTIGCIQIDOQCBG-APWZRJJASA-N 1 1 379.495 4.022 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)CC2)cs1 ZINC000189327236 823394854 /nfs/dbraw/zinc/39/48/54/823394854.db2.gz WQTFDDSUTVRDIA-TZIWHRDSSA-N 1 1 397.588 4.191 20 0 GIADMO O=C(c1ccoc1C(F)(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572772301 823396115 /nfs/dbraw/zinc/39/61/15/823396115.db2.gz QXCDZDLVLYIDBD-HXUWFJFHSA-N 1 1 392.421 4.427 20 0 GIADMO FC(F)(F)c1cccc([C@H]([NH2+]Cc2cnc3cnccn23)c2cccnc2)c1 ZINC000122704328 823397627 /nfs/dbraw/zinc/39/76/27/823397627.db2.gz NCNKTOQGTFKGAF-IBGZPJMESA-N 1 1 383.377 4.022 20 0 GIADMO C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000410136263 823399166 /nfs/dbraw/zinc/39/91/66/823399166.db2.gz UZXWOFXFYZOSCD-KXBFYZLASA-N 1 1 391.437 4.465 20 0 GIADMO C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000410136263 823399173 /nfs/dbraw/zinc/39/91/73/823399173.db2.gz UZXWOFXFYZOSCD-KXBFYZLASA-N 1 1 391.437 4.465 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000177223687 823403511 /nfs/dbraw/zinc/40/35/11/823403511.db2.gz SFYDKEXZHGWIJG-HOCLYGCPSA-N 1 1 376.422 4.229 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410146723 823401283 /nfs/dbraw/zinc/40/12/83/823401283.db2.gz BQQPFSKLVDBLKO-HNAYVOBHSA-N 1 1 391.437 4.340 20 0 GIADMO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000460481678 823403844 /nfs/dbraw/zinc/40/38/44/823403844.db2.gz ZAVPXIIUBRJZFW-YUXAGFNASA-N 1 1 395.522 4.359 20 0 GIADMO Cc1cc(C)cc(OCCC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000058505849 823401709 /nfs/dbraw/zinc/40/17/09/823401709.db2.gz WYSPNQCNADLTFT-FQEVSTJZSA-N 1 1 382.552 4.270 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000460476557 823402157 /nfs/dbraw/zinc/40/21/57/823402157.db2.gz CATFUOAPOOSJHW-VLCRHTCISA-N 1 1 395.522 4.359 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2COc3cccc(Cl)c32)cc1 ZINC000460477317 823402509 /nfs/dbraw/zinc/40/25/09/823402509.db2.gz SKBNSBDJLYNYFX-UGSOOPFHSA-N 1 1 396.878 4.328 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2N(C)C)cc1 ZINC000460478445 823402839 /nfs/dbraw/zinc/40/28/39/823402839.db2.gz FJHQEBHRJBWZND-QGZVFWFLSA-N 1 1 391.519 4.149 20 0 GIADMO Cc1nc(CN2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)no1 ZINC000058517757 823402951 /nfs/dbraw/zinc/40/29/51/823402951.db2.gz VVLZNZQMEMRHKB-UHFFFAOYSA-N 1 1 388.924 4.078 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000572809169 823403267 /nfs/dbraw/zinc/40/32/67/823403267.db2.gz LSSBGGPYPCVZNH-WBVHZDCISA-N 1 1 388.458 4.255 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3c(F)cccc3F)C2)cc1 ZINC000572809169 823403271 /nfs/dbraw/zinc/40/32/71/823403271.db2.gz LSSBGGPYPCVZNH-WBVHZDCISA-N 1 1 388.458 4.255 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000058520952 823403281 /nfs/dbraw/zinc/40/32/81/823403281.db2.gz YHYJWIXCVJKLEB-GOSISDBHSA-N 1 1 380.536 4.449 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000058532794 823405170 /nfs/dbraw/zinc/40/51/70/823405170.db2.gz BADHPNDEDYPEEC-CQSZACIVSA-N 1 1 382.346 4.391 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccccc1OCC(F)(F)F ZINC000058537106 823405830 /nfs/dbraw/zinc/40/58/30/823405830.db2.gz GTYGOSPCPMPEPR-HNNXBMFYSA-N 1 1 387.446 4.404 20 0 GIADMO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1c(=S)ncn1-c1ccccc1 ZINC000058539967 823406204 /nfs/dbraw/zinc/40/62/04/823406204.db2.gz WLAASSWMHMSNQX-LJQANCHMSA-N 1 1 380.517 4.076 20 0 GIADMO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1c(=S)ncn1-c1ccccc1 ZINC000058539967 823406205 /nfs/dbraw/zinc/40/62/05/823406205.db2.gz WLAASSWMHMSNQX-LJQANCHMSA-N 1 1 380.517 4.076 20 0 GIADMO COc1cccc([C@H](C)CC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000177236288 823406839 /nfs/dbraw/zinc/40/68/39/823406839.db2.gz HKKSWUNZOBQXLO-QZTJIDSGSA-N 1 1 382.504 4.221 20 0 GIADMO COCc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000058546795 823407395 /nfs/dbraw/zinc/40/73/95/823407395.db2.gz RUOXCYSJXAIESM-GOSISDBHSA-N 1 1 381.520 4.387 20 0 GIADMO C[N@@H+](CCCc1ccccc1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000058580835 823412223 /nfs/dbraw/zinc/41/22/23/823412223.db2.gz ZGGAPZQYRRGNAZ-HXUWFJFHSA-N 1 1 391.471 4.115 20 0 GIADMO Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000410186452 823413959 /nfs/dbraw/zinc/41/39/59/823413959.db2.gz TUXRZIWFPFCLBP-OAQYLSRUSA-N 1 1 388.515 4.246 20 0 GIADMO CC[N@H+](Cn1nc(COc2ccc(OC)cc2)oc1=S)C1CCCCC1 ZINC000058590786 823414014 /nfs/dbraw/zinc/41/40/14/823414014.db2.gz SJGRBOTVWZZJMY-UHFFFAOYSA-N 1 1 377.510 4.405 20 0 GIADMO CC[N@@H+](Cn1nc(COc2ccc(OC)cc2)oc1=S)C1CCCCC1 ZINC000058590786 823414017 /nfs/dbraw/zinc/41/40/17/823414017.db2.gz SJGRBOTVWZZJMY-UHFFFAOYSA-N 1 1 377.510 4.405 20 0 GIADMO C[C@@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1F ZINC000460500296 823409202 /nfs/dbraw/zinc/40/92/02/823409202.db2.gz QFTHNRHDJHVVRF-NZSAHSFTSA-N 1 1 399.485 4.189 20 0 GIADMO C[C@@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1F ZINC000460500295 823409243 /nfs/dbraw/zinc/40/92/43/823409243.db2.gz QFTHNRHDJHVVRF-NEWSRXKRSA-N 1 1 399.485 4.189 20 0 GIADMO C[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(Cl)cc1Cl ZINC000122799270 823414456 /nfs/dbraw/zinc/41/44/56/823414456.db2.gz CVDZBMSSGQARAK-CYBMUJFWSA-N 1 1 395.334 4.452 20 0 GIADMO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000572889280 823414473 /nfs/dbraw/zinc/41/44/73/823414473.db2.gz HNYOFQOUOCVNMS-PBHICJAKSA-N 1 1 381.442 4.232 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000572896315 823416034 /nfs/dbraw/zinc/41/60/34/823416034.db2.gz YZWROTOUYLXRPY-OAHLLOKOSA-N 1 1 377.916 4.164 20 0 GIADMO CCCCn1ncc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000572897968 823416386 /nfs/dbraw/zinc/41/63/86/823416386.db2.gz DSWYJYWBSGCJNX-NRFANRHFSA-N 1 1 382.552 4.024 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000410205872 823419530 /nfs/dbraw/zinc/41/95/30/823419530.db2.gz KFKGCTZSTZHBEQ-GOSISDBHSA-N 1 1 386.923 4.150 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cc1)C1CC1 ZINC000460542281 823425403 /nfs/dbraw/zinc/42/54/03/823425403.db2.gz DCLRJLWVBFBBEV-QFIPXVFZSA-N 1 1 392.543 4.350 20 0 GIADMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000122865589 823425801 /nfs/dbraw/zinc/42/58/01/823425801.db2.gz OUBOMQYZXFZRIC-ZSZQSSIHSA-N 1 1 395.469 4.425 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000572956250 823426555 /nfs/dbraw/zinc/42/65/55/823426555.db2.gz QOCOTJBSJYWFGK-WMZHIEFXSA-N 1 1 392.547 4.155 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000572956249 823426578 /nfs/dbraw/zinc/42/65/78/823426578.db2.gz QOCOTJBSJYWFGK-CVDCTZTESA-N 1 1 392.547 4.155 20 0 GIADMO c1ccc(C[N@H+]2CC[C@H](Nc3cccc(N4CCOCC4)c3)CC23CC3)cc1 ZINC000572960507 823426876 /nfs/dbraw/zinc/42/68/76/823426876.db2.gz BWRIGBVVWZGOQZ-QFIPXVFZSA-N 1 1 377.532 4.132 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000177304664 823427260 /nfs/dbraw/zinc/42/72/60/823427260.db2.gz LKNMIHHJSMFJBR-LPHOPBHVSA-N 1 1 397.485 4.414 20 0 GIADMO CC[C@H](CNC(=O)N(C)[C@@H](CC)c1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000122882402 823428325 /nfs/dbraw/zinc/42/83/25/823428325.db2.gz BKCVKKTYVGHBKZ-YADHBBJMSA-N 1 1 380.536 4.011 20 0 GIADMO CC(C)(C)OC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000177323571 823433487 /nfs/dbraw/zinc/43/34/87/823433487.db2.gz IDRFSZYTIOEUCS-FRIKZZABSA-N 1 1 399.579 4.171 20 0 GIADMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000024674118 819863442 /nfs/dbraw/zinc/86/34/42/819863442.db2.gz UUMIYXPGAZIQDK-KRWDZBQOSA-N 1 1 380.488 4.087 20 0 GIADMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000024679322 819864137 /nfs/dbraw/zinc/86/41/37/819864137.db2.gz WTBATSFPDYSFKY-QGZVFWFLSA-N 1 1 376.847 4.009 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000024731624 819869472 /nfs/dbraw/zinc/86/94/72/819869472.db2.gz PUFOUKWAKBYHEQ-OAHLLOKOSA-N 1 1 377.423 4.254 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000024731624 819869481 /nfs/dbraw/zinc/86/94/81/819869481.db2.gz PUFOUKWAKBYHEQ-OAHLLOKOSA-N 1 1 377.423 4.254 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)Cc1cccs1 ZINC000024741423 819871515 /nfs/dbraw/zinc/87/15/15/819871515.db2.gz CNPACGFVDIZDAL-UHFFFAOYSA-N 1 1 399.438 4.186 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)Cc1cccs1 ZINC000024741423 819871530 /nfs/dbraw/zinc/87/15/30/819871530.db2.gz CNPACGFVDIZDAL-UHFFFAOYSA-N 1 1 399.438 4.186 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000024757921 819873923 /nfs/dbraw/zinc/87/39/23/819873923.db2.gz FTGJFWGPGJBWTG-UHFFFAOYSA-N 1 1 398.454 4.494 20 0 GIADMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccc(Cl)cc3Cl)c2)CC1 ZINC000189514381 823435077 /nfs/dbraw/zinc/43/50/77/823435077.db2.gz MFPFVTWCXJDMKS-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO CCSc1cccc(CNc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)c1 ZINC000189514245 823435209 /nfs/dbraw/zinc/43/52/09/823435209.db2.gz HPTSGPCCBAYUJA-UHFFFAOYSA-N 1 1 383.561 4.075 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1CCOC ZINC000189517314 823435800 /nfs/dbraw/zinc/43/58/00/823435800.db2.gz KBEJRQPSOJWJJX-NRFANRHFSA-N 1 1 395.547 4.251 20 0 GIADMO CCc1oc2ccccc2c1CNc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000189520706 823436496 /nfs/dbraw/zinc/43/64/96/823436496.db2.gz ICDPVKCYFXHXCI-UHFFFAOYSA-N 1 1 391.515 4.271 20 0 GIADMO COc1ccc(C[N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)cc1 ZINC000573032360 823437063 /nfs/dbraw/zinc/43/70/63/823437063.db2.gz MMBHPSVLQDYBRO-CQSZACIVSA-N 1 1 396.560 4.081 20 0 GIADMO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000189525316 823437631 /nfs/dbraw/zinc/43/76/31/823437631.db2.gz WOCHBHBICQQWPU-HOTGVXAUSA-N 1 1 390.578 4.253 20 0 GIADMO COc1ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Cl ZINC000025041603 819914375 /nfs/dbraw/zinc/91/43/75/819914375.db2.gz IDKUCLRMQXNJTK-GASCZTMLSA-N 1 1 388.895 4.210 20 0 GIADMO COc1ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Cl ZINC000025041603 819914377 /nfs/dbraw/zinc/91/43/77/819914377.db2.gz IDKUCLRMQXNJTK-GASCZTMLSA-N 1 1 388.895 4.210 20 0 GIADMO COc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1Cl ZINC000025041608 819914383 /nfs/dbraw/zinc/91/43/83/819914383.db2.gz IDKUCLRMQXNJTK-GJZGRUSLSA-N 1 1 388.895 4.210 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc4ncccc43)cc2)C[C@H](C)O1 ZINC000025048731 819915131 /nfs/dbraw/zinc/91/51/31/819915131.db2.gz DPPADVKFYPBCBI-IRXDYDNUSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCc4sccc4[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000025070803 819919961 /nfs/dbraw/zinc/91/99/61/819919961.db2.gz GDPAXQPPDYICPW-ZACQAIPSSA-N 1 1 384.545 4.117 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000025101869 819929124 /nfs/dbraw/zinc/92/91/24/819929124.db2.gz ZMSQESJGFRJXGA-KDURUIRLSA-N 1 1 393.531 4.148 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C[C@H](C)O1 ZINC000025101869 819929130 /nfs/dbraw/zinc/92/91/30/819929130.db2.gz ZMSQESJGFRJXGA-KDURUIRLSA-N 1 1 393.531 4.148 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)C1 ZINC000189541748 823440617 /nfs/dbraw/zinc/44/06/17/823440617.db2.gz CKLCSJSVCRUJSE-GOSISDBHSA-N 1 1 385.474 4.129 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1C(C)C ZINC000122963605 823440620 /nfs/dbraw/zinc/44/06/20/823440620.db2.gz XXJDCRDGVLMSJS-INIZCTEOSA-N 1 1 387.549 4.278 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](Cc2ccccc2)C2CC2)cc1OC ZINC000025224625 819946438 /nfs/dbraw/zinc/94/64/38/819946438.db2.gz QUHBASFYBNFNBJ-OAQYLSRUSA-N 1 1 394.515 4.032 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2)C2CC2)cc1OC ZINC000025224625 819946443 /nfs/dbraw/zinc/94/64/43/819946443.db2.gz QUHBASFYBNFNBJ-OAQYLSRUSA-N 1 1 394.515 4.032 20 0 GIADMO Cc1csc2nc(C[N@@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)cc(=O)n12 ZINC000025401159 819975725 /nfs/dbraw/zinc/97/57/25/819975725.db2.gz VHWQYYSIXODYHF-NRFANRHFSA-N 1 1 387.508 4.212 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000025414980 819977070 /nfs/dbraw/zinc/97/70/70/819977070.db2.gz SYKIEDRQPLPDCZ-SFHVURJKSA-N 1 1 376.403 4.072 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000025414980 819977074 /nfs/dbraw/zinc/97/70/74/819977074.db2.gz SYKIEDRQPLPDCZ-SFHVURJKSA-N 1 1 376.403 4.072 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000025445470 819981431 /nfs/dbraw/zinc/98/14/31/819981431.db2.gz XYDKIEUCWFWMQL-OAQYLSRUSA-N 1 1 395.478 4.118 20 0 GIADMO O=C(C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCC(c2ccccc2)=N1 ZINC000025455579 819984067 /nfs/dbraw/zinc/98/40/67/819984067.db2.gz FCFPUFKYZJTXDC-XMMPIXPASA-N 1 1 395.506 4.271 20 0 GIADMO O=C(C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCC(c2ccccc2)=N1 ZINC000025455579 819984074 /nfs/dbraw/zinc/98/40/74/819984074.db2.gz FCFPUFKYZJTXDC-XMMPIXPASA-N 1 1 395.506 4.271 20 0 GIADMO COc1ccc([C@@H](NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)C2CC2)cc1 ZINC000573067794 823443390 /nfs/dbraw/zinc/44/33/90/823443390.db2.gz WYOKEELSDJUFRD-QFIPXVFZSA-N 1 1 395.503 4.103 20 0 GIADMO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1C(C)C ZINC000025472484 819987938 /nfs/dbraw/zinc/98/79/38/819987938.db2.gz YTSWXQMHQKBAGF-UHFFFAOYSA-N 1 1 386.923 4.435 20 0 GIADMO COc1cc(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c(SC)cc1OC ZINC000573072102 823443963 /nfs/dbraw/zinc/44/39/63/823443963.db2.gz UEKGQGIUEWFSGQ-QGZVFWFLSA-N 1 1 394.968 4.472 20 0 GIADMO C[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000025636201 820008863 /nfs/dbraw/zinc/00/88/63/820008863.db2.gz MAPKBYWODGWNGY-LBPRGKRZSA-N 1 1 381.278 4.309 20 0 GIADMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680104 820013538 /nfs/dbraw/zinc/01/35/38/820013538.db2.gz JMZSLPHISSHBND-CQSZACIVSA-N 1 1 388.414 4.110 20 0 GIADMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680104 820013546 /nfs/dbraw/zinc/01/35/46/820013546.db2.gz JMZSLPHISSHBND-CQSZACIVSA-N 1 1 388.414 4.110 20 0 GIADMO CCc1ccccc1NC(=O)CN1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000189572280 823447374 /nfs/dbraw/zinc/44/73/74/823447374.db2.gz LGMXAQRUHKYCEH-GOSISDBHSA-N 1 1 399.966 4.262 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(=O)c1ccccc1)c1cccc(F)c1 ZINC000025967253 820045162 /nfs/dbraw/zinc/04/51/62/820045162.db2.gz MIPFTFXKSRPYJD-JOCHJYFZSA-N 1 1 390.458 4.089 20 0 GIADMO COc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1F ZINC000026165278 820065293 /nfs/dbraw/zinc/06/52/93/820065293.db2.gz SIXKQSUEGXDHSV-INIZCTEOSA-N 1 1 399.510 4.031 20 0 GIADMO CCN(Cc1cccc(F)c1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000026165304 820065647 /nfs/dbraw/zinc/06/56/47/820065647.db2.gz DKKMNAXFYUHOKT-UHFFFAOYSA-N 1 1 383.511 4.194 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2cccc(OCCF)c2)CC[N@H+]1Cc1ccccc1 ZINC000123026740 823450142 /nfs/dbraw/zinc/45/01/42/823450142.db2.gz ZNEWQSIPJMUJIX-GOSISDBHSA-N 1 1 385.483 4.163 20 0 GIADMO C[NH+](C)[C@H](CNCc1cc(Br)ccc1OC(F)F)c1ccccc1 ZINC000060817171 823559442 /nfs/dbraw/zinc/55/94/42/823559442.db2.gz HYAPFALEWZZRCX-MRXNPFEDSA-N 1 1 399.279 4.443 20 0 GIADMO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1=S ZINC000026234977 820072711 /nfs/dbraw/zinc/07/27/11/820072711.db2.gz UKQJAQGBFOQQQO-KRWDZBQOSA-N 1 1 382.508 4.422 20 0 GIADMO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1=S ZINC000026234977 820072719 /nfs/dbraw/zinc/07/27/19/820072719.db2.gz UKQJAQGBFOQQQO-KRWDZBQOSA-N 1 1 382.508 4.422 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000026298804 820079227 /nfs/dbraw/zinc/07/92/27/820079227.db2.gz AYNHTHSSQLJJKS-MRXNPFEDSA-N 1 1 378.476 4.062 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000026298804 820079239 /nfs/dbraw/zinc/07/92/39/820079239.db2.gz AYNHTHSSQLJJKS-MRXNPFEDSA-N 1 1 378.476 4.062 20 0 GIADMO C[N@@H+](CCCNC(=O)Cc1coc2cc3c(cc12)CCC3)Cc1ccccc1 ZINC000026304444 820080127 /nfs/dbraw/zinc/08/01/27/820080127.db2.gz ALBTUUVBVJOREH-UHFFFAOYSA-N 1 1 376.500 4.102 20 0 GIADMO Clc1cc(CNC[C@@H](c2ccccc2)[NH+]2CCCC2)cc2c1OCCCO2 ZINC000026310676 820080761 /nfs/dbraw/zinc/08/07/61/820080761.db2.gz DUDOLPHLCQAOFD-FQEVSTJZSA-N 1 1 386.923 4.428 20 0 GIADMO Clc1cc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)cc2c1OCCCO2 ZINC000026310673 820080859 /nfs/dbraw/zinc/08/08/59/820080859.db2.gz DUDOLPHLCQAOFD-HXUWFJFHSA-N 1 1 386.923 4.428 20 0 GIADMO CCOc1cc2c(cc1C[NH2+]Cc1cc3c(cc1OC)C[C@@H](C)O3)O[C@H](C)C2 ZINC000026314328 820081438 /nfs/dbraw/zinc/08/14/38/820081438.db2.gz NNUFPBKXRZSRPN-HUUCEWRRSA-N 1 1 383.488 4.031 20 0 GIADMO COc1ccc(-c2nn(Cc3ccccc3)cc2CNCC(C)(C)[NH+](C)C)cc1 ZINC000026310866 820081687 /nfs/dbraw/zinc/08/16/87/820081687.db2.gz ADRUEQDMQIVDLM-UHFFFAOYSA-N 1 1 392.547 4.037 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000026321210 820082493 /nfs/dbraw/zinc/08/24/93/820082493.db2.gz DIRPGKYCFLLTJU-UHFFFAOYSA-N 1 1 395.286 4.241 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000026321993 820082609 /nfs/dbraw/zinc/08/26/09/820082609.db2.gz RCWVZZLUIMNDQL-HOTGVXAUSA-N 1 1 396.487 4.148 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000026321993 820082617 /nfs/dbraw/zinc/08/26/17/820082617.db2.gz RCWVZZLUIMNDQL-HOTGVXAUSA-N 1 1 396.487 4.148 20 0 GIADMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2C)ccc1OC(F)F ZINC000026326878 820084057 /nfs/dbraw/zinc/08/40/57/820084057.db2.gz VGXSLHCIYGAKRR-HNNXBMFYSA-N 1 1 392.446 4.372 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2C)ccc1OC(F)F ZINC000026326878 820084067 /nfs/dbraw/zinc/08/40/67/820084067.db2.gz VGXSLHCIYGAKRR-HNNXBMFYSA-N 1 1 392.446 4.372 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1OC(F)F ZINC000026453258 820099811 /nfs/dbraw/zinc/09/98/11/820099811.db2.gz VXZOHNNYGCTJLQ-HNNXBMFYSA-N 1 1 392.446 4.372 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1OC(F)F ZINC000026453258 820099821 /nfs/dbraw/zinc/09/98/21/820099821.db2.gz VXZOHNNYGCTJLQ-HNNXBMFYSA-N 1 1 392.446 4.372 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000026478634 820103133 /nfs/dbraw/zinc/10/31/33/820103133.db2.gz BACUUZYZGFBGIB-DOMZBBRYSA-N 1 1 385.430 4.113 20 0 GIADMO C[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@@H](CCO)c1ccccc1 ZINC000573139696 823453912 /nfs/dbraw/zinc/45/39/12/823453912.db2.gz GHXFHENORNDRDI-FQEVSTJZSA-N 1 1 389.421 4.447 20 0 GIADMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](C)C1)c1ccccc1 ZINC000573142662 823454662 /nfs/dbraw/zinc/45/46/62/823454662.db2.gz FIUMTYRJOIWREK-CZTZKLFOSA-N 1 1 389.486 4.439 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC2)c(C)c1 ZINC000026640488 820126503 /nfs/dbraw/zinc/12/65/03/820126503.db2.gz VTWCUNYCMQWXTJ-SFGWALBWSA-N 1 1 384.564 4.282 20 0 GIADMO CCC[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000026665073 820129415 /nfs/dbraw/zinc/12/94/15/820129415.db2.gz VQITVRTYECMBAI-MRXNPFEDSA-N 1 1 388.895 4.221 20 0 GIADMO COc1ccc(C2(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CCCC2)cc1 ZINC000058804280 823455204 /nfs/dbraw/zinc/45/52/04/823455204.db2.gz JTFPTAVYAWDBLH-QFIPXVFZSA-N 1 1 392.543 4.288 20 0 GIADMO COCC[N@@H+](Cc1c[nH]c2nccnc12)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000573145438 823455265 /nfs/dbraw/zinc/45/52/65/823455265.db2.gz DPVRCFRVXKHHHW-ZDUSSCGKSA-N 1 1 378.398 4.138 20 0 GIADMO Cc1cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)sc1Br ZINC000123064670 823455819 /nfs/dbraw/zinc/45/58/19/823455819.db2.gz SJBHJXVOCNWXRV-UHFFFAOYSA-N 1 1 393.350 4.213 20 0 GIADMO CC(C)Cn1ncc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1C(F)F ZINC000123070557 823456848 /nfs/dbraw/zinc/45/68/48/823456848.db2.gz GQVDLGADIPRDJH-INIZCTEOSA-N 1 1 388.462 4.102 20 0 GIADMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cn2cc(Cl)cc(Cl)c2n1)c1ccccc1 ZINC000177415432 823456936 /nfs/dbraw/zinc/45/69/36/823456936.db2.gz DZRNIQOOXMGTET-PXAZEXFGSA-N 1 1 392.286 4.281 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C(C)C)C3CC3)cc2)cc1 ZINC000026940650 820166454 /nfs/dbraw/zinc/16/64/54/820166454.db2.gz UXRVEQRANUDBMY-UHFFFAOYSA-N 1 1 395.503 4.149 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](OCC(C)C)C3)cs2)cc1OC ZINC000177417873 823457965 /nfs/dbraw/zinc/45/79/65/823457965.db2.gz DXBQJCPBPBKOPE-QGZVFWFLSA-N 1 1 376.522 4.074 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CC[C@@H](OCC(C)C)C3)cs2)cc1OC ZINC000177417873 823457967 /nfs/dbraw/zinc/45/79/67/823457967.db2.gz DXBQJCPBPBKOPE-QGZVFWFLSA-N 1 1 376.522 4.074 20 0 GIADMO COc1cccc(C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000058820979 823459099 /nfs/dbraw/zinc/45/90/99/823459099.db2.gz KWQVIOUYQFKAIS-DHIUTWEWSA-N 1 1 392.543 4.141 20 0 GIADMO CCOc1ncccc1C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000123086016 823459906 /nfs/dbraw/zinc/45/99/06/823459906.db2.gz MUGDVXVPBPOGIQ-UHFFFAOYSA-N 1 1 384.911 4.285 20 0 GIADMO COC[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Br)cc3)n2)C1 ZINC000177428933 823460226 /nfs/dbraw/zinc/46/02/26/823460226.db2.gz HZTKEKVNKRYELU-ZDUSSCGKSA-N 1 1 381.339 4.431 20 0 GIADMO COc1ccc(C[N@@H+](C[C@@H](O)CC(F)(F)F)C2CCCCC2)cc1OC ZINC000189622631 823461192 /nfs/dbraw/zinc/46/11/92/823461192.db2.gz BEAIPARSFSVEJU-INIZCTEOSA-N 1 1 375.431 4.152 20 0 GIADMO CCSc1ccc(Cl)cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000177434329 823461309 /nfs/dbraw/zinc/46/13/09/823461309.db2.gz GPLBSDBRZCIJSM-UHFFFAOYSA-N 1 1 386.908 4.271 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1)Nc1cccnc1 ZINC000573179984 823461733 /nfs/dbraw/zinc/46/17/33/823461733.db2.gz JCHKXWIWBUZJPW-LJQANCHMSA-N 1 1 395.894 4.291 20 0 GIADMO CCOc1ccccc1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027237251 820214269 /nfs/dbraw/zinc/21/42/69/820214269.db2.gz DAGLPNCKEKHSKI-UHFFFAOYSA-N 1 1 396.487 4.197 20 0 GIADMO Cc1nc(-c2cccs2)ccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027253718 820215705 /nfs/dbraw/zinc/21/57/05/820215705.db2.gz RLSVBFJSCBYXAM-UHFFFAOYSA-N 1 1 391.540 4.119 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1F)c1ccccc1Cl ZINC000027347722 820228513 /nfs/dbraw/zinc/22/85/13/820228513.db2.gz SOKGDPJZGHGBHT-INIZCTEOSA-N 1 1 399.691 4.274 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000027350146 820229270 /nfs/dbraw/zinc/22/92/70/820229270.db2.gz TYBOUJPBZRMGGZ-GOSISDBHSA-N 1 1 391.309 4.307 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1F)C1CCCCC1 ZINC000058859229 823462961 /nfs/dbraw/zinc/46/29/61/823462961.db2.gz GAKULGQWHOLJSV-JOCHJYFZSA-N 1 1 399.510 4.445 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027391341 820237752 /nfs/dbraw/zinc/23/77/52/820237752.db2.gz OWAIQFGBDOETNU-UHFFFAOYSA-N 1 1 376.422 4.362 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Br)c2)cc1F ZINC000027537995 820257543 /nfs/dbraw/zinc/25/75/43/820257543.db2.gz SEHYCDQJFCMKMX-GFCCVEGCSA-N 1 1 395.272 4.056 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Br)c2)cc1F ZINC000027537995 820257551 /nfs/dbraw/zinc/25/75/51/820257551.db2.gz SEHYCDQJFCMKMX-GFCCVEGCSA-N 1 1 395.272 4.056 20 0 GIADMO Fc1ccccc1-c1nc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cs1 ZINC000177453404 823466226 /nfs/dbraw/zinc/46/62/26/823466226.db2.gz RBBSBTQZQHQMRA-KRWDZBQOSA-N 1 1 376.497 4.109 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189670054 823471278 /nfs/dbraw/zinc/47/12/78/823471278.db2.gz JOHOKGQMVJDIDP-UHFFFAOYSA-N 1 1 376.850 4.487 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCC(F)(F)F)CC3)cs2)cc1 ZINC000027779070 820286354 /nfs/dbraw/zinc/28/63/54/820286354.db2.gz HAJONZXITMODPD-UHFFFAOYSA-N 1 1 397.466 4.009 20 0 GIADMO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)no1 ZINC000027883723 820293541 /nfs/dbraw/zinc/29/35/41/820293541.db2.gz PBCKJZXLQIIIDE-GOSISDBHSA-N 1 1 398.532 4.351 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)no1 ZINC000027883723 820293547 /nfs/dbraw/zinc/29/35/47/820293547.db2.gz PBCKJZXLQIIIDE-GOSISDBHSA-N 1 1 398.532 4.351 20 0 GIADMO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000027898552 820294898 /nfs/dbraw/zinc/29/48/98/820294898.db2.gz ZASHJYJIMKUDJU-UHFFFAOYSA-N 1 1 381.479 4.346 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(Br)cc2Cl)C1 ZINC000058898926 823467960 /nfs/dbraw/zinc/46/79/60/823467960.db2.gz PVAOWNPLDKHZSI-CYBMUJFWSA-N 1 1 387.749 4.344 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 ZINC000410343375 823468095 /nfs/dbraw/zinc/46/80/95/823468095.db2.gz CYJDCMMISFOASX-LJQANCHMSA-N 1 1 377.532 4.329 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCN(CC(C)(C)C)C1=O ZINC000460655248 823468236 /nfs/dbraw/zinc/46/82/36/823468236.db2.gz LESHAWYNTIAUMD-QFIPXVFZSA-N 1 1 397.563 4.038 20 0 GIADMO CC[C@@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1nc(C(F)(F)F)cs1 ZINC000460658778 823468991 /nfs/dbraw/zinc/46/89/91/823468991.db2.gz QCLJQTCNANAAFN-VXGBXAGGSA-N 1 1 377.476 4.240 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000410346663 823469181 /nfs/dbraw/zinc/46/91/81/823469181.db2.gz WDKRXLXQDSFLIM-AUSIDOKSSA-N 1 1 394.563 4.446 20 0 GIADMO CC(=O)N(c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000573237768 823469187 /nfs/dbraw/zinc/46/91/87/823469187.db2.gz WYCBVOWUKBSCCU-HXUWFJFHSA-N 1 1 391.515 4.053 20 0 GIADMO O=C(NCc1csc(-c2ccccc2)n1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000028240358 820319845 /nfs/dbraw/zinc/31/98/45/820319845.db2.gz OCASXTQHFLLPAE-FQEVSTJZSA-N 1 1 377.513 4.091 20 0 GIADMO O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000028280928 820322075 /nfs/dbraw/zinc/32/20/75/820322075.db2.gz DYXQCYXRSOOLRA-IEBWSBKVSA-N 1 1 394.284 4.165 20 0 GIADMO CC[C@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028392388 820332068 /nfs/dbraw/zinc/33/20/68/820332068.db2.gz QHLASVBEMSYESC-VGOFRKELSA-N 1 1 383.511 4.365 20 0 GIADMO COCc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000410351766 823470742 /nfs/dbraw/zinc/47/07/42/823470742.db2.gz HJKDBWCEKOJPJY-IBGZPJMESA-N 1 1 395.547 4.064 20 0 GIADMO C[C@H](CCCC(F)(F)F)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460681940 823477185 /nfs/dbraw/zinc/47/71/85/823477185.db2.gz TWBLZUZJGKDGAX-QRQLOZEOSA-N 1 1 397.485 4.271 20 0 GIADMO COc1ccc(-c2ccc(C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)s2)cc1 ZINC000177484436 823473497 /nfs/dbraw/zinc/47/34/97/823473497.db2.gz LULKBWDUXWICEX-OAQYLSRUSA-N 1 1 380.513 4.343 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000058971924 823477302 /nfs/dbraw/zinc/47/73/02/823477302.db2.gz YGUIKPZOAQNOBN-CALCHBBNSA-N 1 1 380.960 4.372 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(OCCC(C)C)CC2)cc1 ZINC000123176346 823474243 /nfs/dbraw/zinc/47/42/43/823474243.db2.gz SUDLHLJCNPXCAY-GOSISDBHSA-N 1 1 398.551 4.478 20 0 GIADMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000028931381 820375090 /nfs/dbraw/zinc/37/50/90/820375090.db2.gz IXNWCSIBQBYLPK-UHFFFAOYSA-N 1 1 397.700 4.052 20 0 GIADMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000028931381 820375101 /nfs/dbraw/zinc/37/51/01/820375101.db2.gz IXNWCSIBQBYLPK-UHFFFAOYSA-N 1 1 397.700 4.052 20 0 GIADMO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c(OC)cc1Cl ZINC000028975100 820378973 /nfs/dbraw/zinc/37/89/73/820378973.db2.gz DFXOGRRXQMRWKU-CQSZACIVSA-N 1 1 380.897 4.194 20 0 GIADMO COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c(OC)cc1Cl ZINC000028975100 820378979 /nfs/dbraw/zinc/37/89/79/820378979.db2.gz DFXOGRRXQMRWKU-CQSZACIVSA-N 1 1 380.897 4.194 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCn2cccc2[C@H]1C ZINC000410365372 823475802 /nfs/dbraw/zinc/47/58/02/823475802.db2.gz JTLYCQUBAVUWSC-RTBURBONSA-N 1 1 380.536 4.149 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000029143384 820398282 /nfs/dbraw/zinc/39/82/82/820398282.db2.gz OODVEVOTZZYKNV-CYBMUJFWSA-N 1 1 398.837 4.279 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000029143384 820398293 /nfs/dbraw/zinc/39/82/93/820398293.db2.gz OODVEVOTZZYKNV-CYBMUJFWSA-N 1 1 398.837 4.279 20 0 GIADMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000029155603 820401315 /nfs/dbraw/zinc/40/13/15/820401315.db2.gz HVGMSDFPMRBXDS-HSZRJFAPSA-N 1 1 378.516 4.197 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(N2C(=O)N[C@@H](CC3CCCCC3)C2=O)c1 ZINC000573287753 823476213 /nfs/dbraw/zinc/47/62/13/823476213.db2.gz BQZABJFVKCWUPQ-FQEVSTJZSA-N 1 1 394.519 4.450 20 0 GIADMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000177497332 823476927 /nfs/dbraw/zinc/47/69/27/823476927.db2.gz DMABOEXMTDIXCF-MRXNPFEDSA-N 1 1 376.566 4.407 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177503468 823478214 /nfs/dbraw/zinc/47/82/14/823478214.db2.gz WJJSVNNIHCWJAP-MRXNPFEDSA-N 1 1 376.566 4.407 20 0 GIADMO C[N@H+](Cc1cnc2ccccc2c1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000410386405 823483073 /nfs/dbraw/zinc/48/30/73/823483073.db2.gz UJGRMNHQRGQZCS-QGZVFWFLSA-N 1 1 390.405 4.125 20 0 GIADMO CCc1cnc(CN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000177504759 823478645 /nfs/dbraw/zinc/47/86/45/823478645.db2.gz YAFNWCHPDWNCPJ-YQQQUEKLSA-N 1 1 398.576 4.043 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)Nc2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000189705118 823479376 /nfs/dbraw/zinc/47/93/76/823479376.db2.gz IDRQDHXETQDYNH-RDJZCZTQSA-N 1 1 383.801 4.324 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2c(F)cc(F)cc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000189705118 823479380 /nfs/dbraw/zinc/47/93/80/823479380.db2.gz IDRQDHXETQDYNH-RDJZCZTQSA-N 1 1 383.801 4.324 20 0 GIADMO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000029475567 820460025 /nfs/dbraw/zinc/46/00/25/820460025.db2.gz JENVSKBSUZUTDN-FQEVSTJZSA-N 1 1 392.421 4.090 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000029479137 820460676 /nfs/dbraw/zinc/46/06/76/820460676.db2.gz TZUPDLREJZBCCY-HSZRJFAPSA-N 1 1 380.532 4.368 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)C1 ZINC000177529853 823483609 /nfs/dbraw/zinc/48/36/09/823483609.db2.gz ZUQUESCJFFPGIN-FQEVSTJZSA-N 1 1 397.567 4.250 20 0 GIADMO C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000029487414 820462712 /nfs/dbraw/zinc/46/27/12/820462712.db2.gz FEJXCMNGBGQPJS-MRXNPFEDSA-N 1 1 377.469 4.364 20 0 GIADMO C[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000029487414 820462718 /nfs/dbraw/zinc/46/27/18/820462718.db2.gz FEJXCMNGBGQPJS-MRXNPFEDSA-N 1 1 377.469 4.364 20 0 GIADMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1cccc(C)c1 ZINC000029508049 820465648 /nfs/dbraw/zinc/46/56/48/820465648.db2.gz IJIJJILJGMRSSX-OAQYLSRUSA-N 1 1 392.503 4.039 20 0 GIADMO COc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC1CCCC1 ZINC000059004080 823482027 /nfs/dbraw/zinc/48/20/27/823482027.db2.gz RZYLIJKXXXTGLP-UHFFFAOYSA-N 1 1 388.552 4.209 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000029615762 820485004 /nfs/dbraw/zinc/48/50/04/820485004.db2.gz AGLKYUVXHSHIKW-UONOGXRCSA-N 1 1 376.884 4.343 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000029615761 820485114 /nfs/dbraw/zinc/48/51/14/820485114.db2.gz AGLKYUVXHSHIKW-ZIAGYGMSSA-N 1 1 376.884 4.343 20 0 GIADMO CCc1cc2c(ncnc2NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)s1 ZINC000029626540 820487606 /nfs/dbraw/zinc/48/76/06/820487606.db2.gz BWUPHLUTUWSIDB-LJQANCHMSA-N 1 1 382.533 4.048 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccccc2NC(=O)c2ccccc2)C1 ZINC000059018185 823483526 /nfs/dbraw/zinc/48/35/26/823483526.db2.gz UHXVFQRCGGQXET-KDURUIRLSA-N 1 1 393.531 4.037 20 0 GIADMO COc1ccc(C([NH2+]CC(=O)Nc2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000029644944 820491202 /nfs/dbraw/zinc/49/12/02/820491202.db2.gz AYCCZMGRAZMDRY-UHFFFAOYSA-N 1 1 390.483 4.330 20 0 GIADMO Cc1coc(-c2cccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2)n1 ZINC000189725242 823482754 /nfs/dbraw/zinc/48/27/54/823482754.db2.gz XANJDTMRMBHRLX-WOJBJXKFSA-N 1 1 376.460 4.217 20 0 GIADMO C[N@H+](Cc1cnc2ccccc2c1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000410386402 823482916 /nfs/dbraw/zinc/48/29/16/823482916.db2.gz UJGRMNHQRGQZCS-KRWDZBQOSA-N 1 1 390.405 4.125 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CC(F)(F)F)C3CCCC3)cc2)C[C@@H](C)O1 ZINC000177531994 823484007 /nfs/dbraw/zinc/48/40/07/823484007.db2.gz WFJVFPGXCOYSNH-HZPDHXFCSA-N 1 1 398.469 4.243 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccccc1Cl ZINC000029699667 820500025 /nfs/dbraw/zinc/50/00/25/820500025.db2.gz LZRDATXKFNVTQI-CJNGLKHVSA-N 1 1 376.847 4.228 20 0 GIADMO CC(C)[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1cccc(Cl)c1 ZINC000059038120 823484122 /nfs/dbraw/zinc/48/41/22/823484122.db2.gz MNLUJBLULJPNOI-UHFFFAOYSA-N 1 1 399.922 4.316 20 0 GIADMO CC(C)[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1cccc(Cl)c1 ZINC000059038120 823484125 /nfs/dbraw/zinc/48/41/25/823484125.db2.gz MNLUJBLULJPNOI-UHFFFAOYSA-N 1 1 399.922 4.316 20 0 GIADMO C[C@@H]1C[C@@H](N(C)CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000123243748 823484369 /nfs/dbraw/zinc/48/43/69/823484369.db2.gz VKBXONIMDZUZIN-BVYCBKJFSA-N 1 1 385.596 4.062 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(F)c4cccnc34)CC2)cc1 ZINC000029713122 820504006 /nfs/dbraw/zinc/50/40/06/820504006.db2.gz YCAACTXFUHGGDZ-UHFFFAOYSA-N 1 1 379.479 4.090 20 0 GIADMO COc1ccc(CN2CCC[N@H+](Cc3ccc(F)c4cccnc34)CC2)cc1 ZINC000029713122 820504013 /nfs/dbraw/zinc/50/40/13/820504013.db2.gz YCAACTXFUHGGDZ-UHFFFAOYSA-N 1 1 379.479 4.090 20 0 GIADMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(F)c4cccnc34)CC2)cc1 ZINC000029713122 820504020 /nfs/dbraw/zinc/50/40/20/820504020.db2.gz YCAACTXFUHGGDZ-UHFFFAOYSA-N 1 1 379.479 4.090 20 0 GIADMO C[C@H](N[C@H](c1nccs1)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123247678 823484600 /nfs/dbraw/zinc/48/46/00/823484600.db2.gz QDEQVYJJKAKJRZ-NYVOZVTQSA-N 1 1 393.556 4.112 20 0 GIADMO C[C@H](N[C@H](c1nccs1)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123247678 823484605 /nfs/dbraw/zinc/48/46/05/823484605.db2.gz QDEQVYJJKAKJRZ-NYVOZVTQSA-N 1 1 393.556 4.112 20 0 GIADMO CCOC1CC(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000189759787 823489452 /nfs/dbraw/zinc/48/94/52/823489452.db2.gz KVWUSANAGWKIQH-UHFFFAOYSA-N 1 1 392.543 4.125 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000059058825 823484826 /nfs/dbraw/zinc/48/48/26/823484826.db2.gz LIFHHAMXEGYIEC-RTBURBONSA-N 1 1 388.511 4.379 20 0 GIADMO Cc1c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cnn1C1CCCC1 ZINC000123248893 823485009 /nfs/dbraw/zinc/48/50/09/823485009.db2.gz QOQONQYJDNKWLG-GOSISDBHSA-N 1 1 380.536 4.043 20 0 GIADMO Cc1[nH]c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc2c1C ZINC000029773177 820514402 /nfs/dbraw/zinc/51/44/02/820514402.db2.gz QBWMBWIQXIKEDU-UHFFFAOYSA-N 1 1 379.479 4.272 20 0 GIADMO Cc1[nH]c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc2c1C ZINC000029773177 820514406 /nfs/dbraw/zinc/51/44/06/820514406.db2.gz QBWMBWIQXIKEDU-UHFFFAOYSA-N 1 1 379.479 4.272 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827901 820526334 /nfs/dbraw/zinc/52/63/34/820526334.db2.gz JVVJZAXWXSCCIQ-UZLBHIALSA-N 1 1 393.487 4.433 20 0 GIADMO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 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820550695 /nfs/dbraw/zinc/55/06/95/820550695.db2.gz GJEALXJDKQDKGD-IBGZPJMESA-N 1 1 376.403 4.483 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000030007264 820567668 /nfs/dbraw/zinc/56/76/68/820567668.db2.gz DUBDZVWNFILHNN-JOCHJYFZSA-N 1 1 388.467 4.251 20 0 GIADMO CCCOc1c(Br)cc(C[NH2+][C@H](COC)c2ccco2)cc1OC ZINC000177574127 823494278 /nfs/dbraw/zinc/49/42/78/823494278.db2.gz VOQAFJGYRBJELC-OAHLLOKOSA-N 1 1 398.297 4.317 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000030223734 820589900 /nfs/dbraw/zinc/58/99/00/820589900.db2.gz NTWPNYUFUAAKCV-FQEVSTJZSA-N 1 1 384.545 4.257 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000030223734 820589906 /nfs/dbraw/zinc/58/99/06/820589906.db2.gz NTWPNYUFUAAKCV-FQEVSTJZSA-N 1 1 384.545 4.257 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccccc1SCc1ccco1 ZINC000030318065 820599962 /nfs/dbraw/zinc/59/99/62/820599962.db2.gz HUHOELXZENAKQZ-UHFFFAOYSA-N 1 1 392.524 4.360 20 0 GIADMO CSCc1c2ccccc2oc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030319683 820600722 /nfs/dbraw/zinc/60/07/22/820600722.db2.gz SZBSNEMMNGXBMJ-UHFFFAOYSA-N 1 1 380.513 4.084 20 0 GIADMO CSCc1c2ccccc2oc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000030319683 820600728 /nfs/dbraw/zinc/60/07/28/820600728.db2.gz SZBSNEMMNGXBMJ-UHFFFAOYSA-N 1 1 380.513 4.084 20 0 GIADMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000177558457 823490533 /nfs/dbraw/zinc/49/05/33/823490533.db2.gz QVLXDYIWNGIXOZ-QRWLVFNGSA-N 1 1 377.513 4.287 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000573413337 823490936 /nfs/dbraw/zinc/49/09/36/823490936.db2.gz ZERXGXXOGFFCMI-PKTZIBPZSA-N 1 1 379.548 4.390 20 0 GIADMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)c1ccsc1 ZINC000030435277 820616854 /nfs/dbraw/zinc/61/68/54/820616854.db2.gz AHXMYPAVDZOKDH-HXUWFJFHSA-N 1 1 388.558 4.263 20 0 GIADMO C[C@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)n1cnc2ccccc21 ZINC000030567365 820642050 /nfs/dbraw/zinc/64/20/50/820642050.db2.gz BVEQPMJNCWBTQU-OAHLLOKOSA-N 1 1 383.521 4.069 20 0 GIADMO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c(OC)c1 ZINC000189779988 823493067 /nfs/dbraw/zinc/49/30/67/823493067.db2.gz VBLPLUKYHOYEGH-AIRBJGPQSA-N 1 1 388.533 4.070 20 0 GIADMO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2csc(C)n2)c(OC)c1 ZINC000189779988 823493072 /nfs/dbraw/zinc/49/30/72/823493072.db2.gz VBLPLUKYHOYEGH-AIRBJGPQSA-N 1 1 388.533 4.070 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)Nc1ccc(N2CCCC2)cc1 ZINC000059404629 823495515 /nfs/dbraw/zinc/49/55/15/823495515.db2.gz AAWFTXCOJURGRJ-QFIPXVFZSA-N 1 1 381.495 4.072 20 0 GIADMO Cc1cccc2nc(C3CC[NH+](Cc4nnc(-c5ccccc5)n4C)CC3)oc21 ZINC000189801309 823497118 /nfs/dbraw/zinc/49/71/18/823497118.db2.gz OFFKWFDIRVRHBE-UHFFFAOYSA-N 1 1 387.487 4.311 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000410483280 823498693 /nfs/dbraw/zinc/49/86/93/823498693.db2.gz MPZWPDSXXXOEQT-YLJYHZDGSA-N 1 1 394.987 4.162 20 0 GIADMO Fc1ccc(-c2nc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)cs2)cc1 ZINC000177598339 823498941 /nfs/dbraw/zinc/49/89/41/823498941.db2.gz RFIZNKOWGKDZSP-HXUWFJFHSA-N 1 1 390.524 4.499 20 0 GIADMO CCCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H](C)c1ccccc1 ZINC000123346411 823499646 /nfs/dbraw/zinc/49/96/46/823499646.db2.gz NJMNRWXSKYVQSB-SFHVURJKSA-N 1 1 381.520 4.190 20 0 GIADMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000177642240 823506071 /nfs/dbraw/zinc/50/60/71/823506071.db2.gz DEVSIZWDUINNIL-UHFFFAOYSA-N 1 1 395.434 4.037 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000059989720 823504271 /nfs/dbraw/zinc/50/42/71/823504271.db2.gz APMGYKQVDKSTJI-PBHICJAKSA-N 1 1 393.314 4.324 20 0 GIADMO C[C@H](CNC(=O)N[C@@H]1CCSc2c(F)cccc21)[N@H+]1CCc2ccccc2C1 ZINC000031106706 820745056 /nfs/dbraw/zinc/74/50/56/820745056.db2.gz VZXQSICKNCYMRQ-FOIQADDNSA-N 1 1 399.535 4.109 20 0 GIADMO COc1ccc2[nH]c(C(=O)Nc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1 ZINC000189839067 823504594 /nfs/dbraw/zinc/50/45/94/823504594.db2.gz BDMXSCFOKUWSHT-IYBDPMFKSA-N 1 1 393.487 4.038 20 0 GIADMO COc1ccc2[nH]c(C(=O)Nc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1 ZINC000189839067 823504597 /nfs/dbraw/zinc/50/45/97/823504597.db2.gz BDMXSCFOKUWSHT-IYBDPMFKSA-N 1 1 393.487 4.038 20 0 GIADMO CC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)C[C@H]1COc2ccccc2O1 ZINC000031174523 820759422 /nfs/dbraw/zinc/75/94/22/820759422.db2.gz KYUZVTNTGLNWSF-IBGZPJMESA-N 1 1 380.444 4.012 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2nc(C3CC3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000123399482 823505685 /nfs/dbraw/zinc/50/56/85/823505685.db2.gz KJSDQYOTAGYUFK-APWZRJJASA-N 1 1 398.576 4.215 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000123361366 823501339 /nfs/dbraw/zinc/50/13/39/823501339.db2.gz GSCTXCMUCGDHHD-WBVHZDCISA-N 1 1 396.959 4.472 20 0 GIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000031225801 820773765 /nfs/dbraw/zinc/77/37/65/820773765.db2.gz NEODFQFABFYKCG-UHFFFAOYSA-N 1 1 389.499 4.307 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177617750 823502153 /nfs/dbraw/zinc/50/21/53/823502153.db2.gz JCNKURFOIGEKTL-SJLPKXTDSA-N 1 1 394.943 4.026 20 0 GIADMO C[C@@H]1C[C@@H](N(C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000123376179 823502924 /nfs/dbraw/zinc/50/29/24/823502924.db2.gz VOEHSVWJKWGWPU-SIXWZSSISA-N 1 1 398.378 4.071 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)N[C@@H](C)c2nnnn2C2CCCCC2)cc1 ZINC000189858728 823507013 /nfs/dbraw/zinc/50/70/13/823507013.db2.gz QPQRAALSCMXCIE-CVEARBPZSA-N 1 1 379.512 4.084 20 0 GIADMO Cc1cccc(CSCC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000060220456 823512474 /nfs/dbraw/zinc/51/24/74/823512474.db2.gz BPYQYLOCHAWMAP-UHFFFAOYSA-N 1 1 386.586 4.416 20 0 GIADMO CCC1=C(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCCO1 ZINC000189873545 823508702 /nfs/dbraw/zinc/50/87/02/823508702.db2.gz GCUZEODYZOQPQK-IFXJQAMLSA-N 1 1 380.891 4.063 20 0 GIADMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CC1 ZINC000031654565 820839691 /nfs/dbraw/zinc/83/96/91/820839691.db2.gz WOJBOBMLLQAQKK-INIZCTEOSA-N 1 1 377.488 4.140 20 0 GIADMO Cc1cc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c(C)s1 ZINC000031765827 820856463 /nfs/dbraw/zinc/85/64/63/820856463.db2.gz ZXGBFJJXNMWXPF-UHFFFAOYSA-N 1 1 398.572 4.371 20 0 GIADMO Cc1cc(C)c(OCC(=O)Nc2ccccc2C[NH+]2CCSCC2)c(C)c1 ZINC000060220542 823512516 /nfs/dbraw/zinc/51/25/16/823512516.db2.gz ZRZMYBPCFDHSAW-UHFFFAOYSA-N 1 1 384.545 4.178 20 0 GIADMO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)c1cc(C)sc1C)c1ccco1 ZINC000060157059 823510340 /nfs/dbraw/zinc/51/03/40/823510340.db2.gz JGIYYTJNUFLYGJ-QGZVFWFLSA-N 1 1 376.522 4.120 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCc1csc(C)n1 ZINC000177670518 823511322 /nfs/dbraw/zinc/51/13/22/823511322.db2.gz QXKMXUCADNDMTD-FQEVSTJZSA-N 1 1 385.577 4.145 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)c2C(C)C)cc1 ZINC000060207128 823511676 /nfs/dbraw/zinc/51/16/76/823511676.db2.gz GBZYHGYMHSBEKT-LJQANCHMSA-N 1 1 382.552 4.154 20 0 GIADMO COc1ccc2oc(C(=O)NCc3ccccc3-n3cc[nH+]c3C)c(C)c2c1 ZINC000060241069 823512737 /nfs/dbraw/zinc/51/27/37/823512737.db2.gz MWTVJAPOJPXSDL-UHFFFAOYSA-N 1 1 375.428 4.174 20 0 GIADMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000177685700 823513544 /nfs/dbraw/zinc/51/35/44/823513544.db2.gz FJPFAIVLWJWMOK-AWEZNQCLSA-N 1 1 397.332 4.059 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)CCCSc2ccc(Br)cc2)CC[N@H+]1C ZINC000123487951 823513718 /nfs/dbraw/zinc/51/37/18/823513718.db2.gz RHZCKXSQPAMQJJ-GOEBONIOSA-N 1 1 399.398 4.263 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(-c4cccs4)nc3C)CC2)c1 ZINC000032206792 820902066 /nfs/dbraw/zinc/90/20/66/820902066.db2.gz MJXDGIYVJQROGO-UHFFFAOYSA-N 1 1 391.540 4.385 20 0 GIADMO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cs2)cc1 ZINC000123502037 823515189 /nfs/dbraw/zinc/51/51/89/823515189.db2.gz YOGIVVZNRNWGQI-WBVHZDCISA-N 1 1 387.549 4.152 20 0 GIADMO C[C@@H](CNC(=O)C1(c2cccc(F)c2)CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000032429555 820942826 /nfs/dbraw/zinc/94/28/26/820942826.db2.gz SLLBRCFCWQFVLL-INIZCTEOSA-N 1 1 386.536 4.262 20 0 GIADMO C[C@@H](CNC(=O)C1(c2cccc(F)c2)CCCC1)[N@H+]1CCc2sccc2C1 ZINC000032429555 820942828 /nfs/dbraw/zinc/94/28/28/820942828.db2.gz SLLBRCFCWQFVLL-INIZCTEOSA-N 1 1 386.536 4.262 20 0 GIADMO Cc1ccc(NCC2=Cc3ccccc3OC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123531538 823518259 /nfs/dbraw/zinc/51/82/59/823518259.db2.gz IRNVRWFRVRRABA-UHFFFAOYSA-N 1 1 391.515 4.307 20 0 GIADMO CCOc1cccc(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1 ZINC000123532236 823518278 /nfs/dbraw/zinc/51/82/78/823518278.db2.gz TXCGFFSPLWTAMB-UHFFFAOYSA-N 1 1 381.520 4.430 20 0 GIADMO c1ccc(COc2ccc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)cc2)nc1 ZINC000123532402 823518475 /nfs/dbraw/zinc/51/84/75/823518475.db2.gz JSPKYHJUUWPCDN-IFMALSPDSA-N 1 1 384.545 4.147 20 0 GIADMO O=C(c1cc(-c2cccs2)on1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355369 823519071 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391.515 4.088 20 0 GIADMO C[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[N@H+]1CCCC[C@@H]1C ZINC000032732290 820999423 /nfs/dbraw/zinc/99/94/23/820999423.db2.gz KALZWUTYKXUMNQ-ROUUACIJSA-N 1 1 388.515 4.290 20 0 GIADMO C[C@@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc21)[N@H+]1CCCC[C@@H]1C ZINC000032732316 820999478 /nfs/dbraw/zinc/99/94/78/820999478.db2.gz XXTWRDKYWHIBEQ-ROUUACIJSA-N 1 1 388.515 4.290 20 0 GIADMO COc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1OCc1ccccc1 ZINC000032731675 820999822 /nfs/dbraw/zinc/99/98/22/820999822.db2.gz QXUMVIFBLHDMBD-OALUTQOASA-N 1 1 396.531 4.267 20 0 GIADMO CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000032758288 821003645 /nfs/dbraw/zinc/00/36/45/821003645.db2.gz MRVGJIMWVKWBCV-OAQYLSRUSA-N 1 1 394.515 4.034 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)NCCC[N@H+](C)Cc3ccccc3)s2)o1 ZINC000032766026 821005837 /nfs/dbraw/zinc/00/58/37/821005837.db2.gz PMGOSYQYJLWWDT-UHFFFAOYSA-N 1 1 383.517 4.272 20 0 GIADMO Cc1ccc(C2=NN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H](c3ccco3)C2)cc1 ZINC000123583184 823523812 /nfs/dbraw/zinc/52/38/12/823523812.db2.gz VVUAWRIKJYYCNX-LJQANCHMSA-N 1 1 376.460 4.286 20 0 GIADMO Cc1ccc(-c2ocnc2C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000460818479 823521073 /nfs/dbraw/zinc/52/10/73/823521073.db2.gz VSXHQLJKRQEEDC-GOSISDBHSA-N 1 1 383.879 4.336 20 0 GIADMO COCC[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1ccccc1 ZINC000032773220 821007020 /nfs/dbraw/zinc/00/70/20/821007020.db2.gz JYVZNUFSMFDQAD-UHFFFAOYSA-N 1 1 398.837 4.029 20 0 GIADMO COCC[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1ccccc1 ZINC000032773220 821007028 /nfs/dbraw/zinc/00/70/28/821007028.db2.gz JYVZNUFSMFDQAD-UHFFFAOYSA-N 1 1 398.837 4.029 20 0 GIADMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Br)c3)CC[C@@H]2N1C1CC1 ZINC000411399995 823570399 /nfs/dbraw/zinc/57/03/99/823570399.db2.gz SPMHOLXSMBOFCO-DYVFJYSZSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Br)c3)CC[C@@H]2N1C1CC1 ZINC000411399995 823570400 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376.541 4.067 20 0 GIADMO Clc1ccc(-c2cnc(C[N@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)o2)cc1 ZINC000123639090 823528307 /nfs/dbraw/zinc/52/83/07/823528307.db2.gz RZAAPQJDWHARMR-IAGOWNOFSA-N 1 1 378.925 4.482 20 0 GIADMO Clc1ccc(-c2cnc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)o2)cc1 ZINC000123639090 823528309 /nfs/dbraw/zinc/52/83/09/823528309.db2.gz RZAAPQJDWHARMR-IAGOWNOFSA-N 1 1 378.925 4.482 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)cc1)c1ccccc1Cl ZINC000036075081 821068435 /nfs/dbraw/zinc/06/84/35/821068435.db2.gz RYPKIWWXTNSCJJ-KRWDZBQOSA-N 1 1 395.728 4.064 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)c2nc(-c3cccc(F)c3)no2)C1 ZINC000190039713 823529661 /nfs/dbraw/zinc/52/96/61/823529661.db2.gz XGEYDAZALUQVBG-YRNRMSPPSA-N 1 1 380.467 4.362 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177781277 823525632 /nfs/dbraw/zinc/52/56/32/823525632.db2.gz XVCFIKWJZMWTDA-UHFFFAOYSA-N 1 1 375.563 4.204 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177781277 823525635 /nfs/dbraw/zinc/52/56/35/823525635.db2.gz XVCFIKWJZMWTDA-UHFFFAOYSA-N 1 1 375.563 4.204 20 0 GIADMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1Br ZINC000038640597 821098287 /nfs/dbraw/zinc/09/82/87/821098287.db2.gz QCBSDNBWFGQOQV-UHFFFAOYSA-N 1 1 387.321 4.106 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000123616088 823526205 /nfs/dbraw/zinc/52/62/05/823526205.db2.gz QUXZTUSMCAQARW-UHFFFAOYSA-N 1 1 385.577 4.323 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCc1ccncc1)CC2 ZINC000123618880 823526567 /nfs/dbraw/zinc/52/65/67/823526567.db2.gz INCIMWZIGAIWDN-UHFFFAOYSA-N 1 1 389.499 4.269 20 0 GIADMO COc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000190055495 823531257 /nfs/dbraw/zinc/53/12/57/823531257.db2.gz WLIZHZZALAUBBB-BEFAXECRSA-N 1 1 375.896 4.130 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCC(=O)c1ccc(F)cc1 ZINC000060475229 823532170 /nfs/dbraw/zinc/53/21/70/823532170.db2.gz IPOMOJGOSWIYCI-GOSISDBHSA-N 1 1 396.506 4.479 20 0 GIADMO O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000060482275 823532856 /nfs/dbraw/zinc/53/28/56/823532856.db2.gz FAPLZHMWVCEVFL-IBGZPJMESA-N 1 1 379.834 4.247 20 0 GIADMO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483113 823533003 /nfs/dbraw/zinc/53/30/03/823533003.db2.gz XPCLLZQJOHKYEI-HOTGVXAUSA-N 1 1 376.928 4.024 20 0 GIADMO CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483131 823533031 /nfs/dbraw/zinc/53/30/31/823533031.db2.gz SLWZRVJVUOHLTL-UHFFFAOYSA-N 1 1 398.934 4.283 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1[nH]c2ccccc2c1Br ZINC000040821716 821165018 /nfs/dbraw/zinc/16/50/18/821165018.db2.gz BHDNXCAYFKUQDQ-UHFFFAOYSA-N 1 1 396.248 4.072 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190067750 823533358 /nfs/dbraw/zinc/53/33/58/823533358.db2.gz WJDXOYIZWHAXPB-LJQANCHMSA-N 1 1 376.504 4.164 20 0 GIADMO Cn1ccc2cccc(NC(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)c21 ZINC000190075317 823534406 /nfs/dbraw/zinc/53/44/06/823534406.db2.gz HUZFSXZLDLMCLK-INIZCTEOSA-N 1 1 382.533 4.274 20 0 GIADMO C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CCN1C ZINC000123741374 823536235 /nfs/dbraw/zinc/53/62/35/823536235.db2.gz SQPHZIZBAHPNMB-RTBURBONSA-N 1 1 381.520 4.222 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000177852583 823536610 /nfs/dbraw/zinc/53/66/10/823536610.db2.gz NUARDQWJIOTROK-MSOLQXFVSA-N 1 1 386.540 4.070 20 0 GIADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000177882711 823540848 /nfs/dbraw/zinc/54/08/48/823540848.db2.gz PNYHYWLDEBMFQE-IAGOWNOFSA-N 1 1 395.503 4.006 20 0 GIADMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000041651881 821215711 /nfs/dbraw/zinc/21/57/11/821215711.db2.gz ISGLRIQTWKEOIT-RYUDHWBXSA-N 1 1 390.163 4.204 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCc2nnc(C3CCCC3)o2)cc1 ZINC000123752261 823537478 /nfs/dbraw/zinc/53/74/78/823537478.db2.gz ULWPGEWAXDPFML-OAHLLOKOSA-N 1 1 393.491 4.031 20 0 GIADMO CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190108303 823538148 /nfs/dbraw/zinc/53/81/48/823538148.db2.gz ZWHJZDSEORQPQN-DOTOQJQBSA-N 1 1 378.944 4.050 20 0 GIADMO CC(C)Oc1ccc(CC[C@H](C)NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000060549402 823541109 /nfs/dbraw/zinc/54/11/09/823541109.db2.gz NTZWYEQTARCICP-IBGZPJMESA-N 1 1 389.584 4.311 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000123764667 823538628 /nfs/dbraw/zinc/53/86/28/823538628.db2.gz CPDKWXXXBRWXNK-UHFFFAOYSA-N 1 1 376.504 4.133 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000123790538 823541173 /nfs/dbraw/zinc/54/11/73/823541173.db2.gz IKRIOHZTGPUAIY-SJLPKXTDSA-N 1 1 379.529 4.421 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000042226013 821287869 /nfs/dbraw/zinc/28/78/69/821287869.db2.gz VMHOQVRDOBUYMP-UHFFFAOYSA-N 1 1 399.901 4.258 20 0 GIADMO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229138 821288871 /nfs/dbraw/zinc/28/88/71/821288871.db2.gz SVFKRPAXDZDYHY-AWEZNQCLSA-N 1 1 379.335 4.061 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000042329225 821301133 /nfs/dbraw/zinc/30/11/33/821301133.db2.gz RCWVZZLUIMNDQL-CVEARBPZSA-N 1 1 396.487 4.148 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000042329225 821301143 /nfs/dbraw/zinc/30/11/43/821301143.db2.gz RCWVZZLUIMNDQL-CVEARBPZSA-N 1 1 396.487 4.148 20 0 GIADMO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000042330718 821301749 /nfs/dbraw/zinc/30/17/49/821301749.db2.gz IJNNVUNIXWDQSS-KSSFIOAISA-N 1 1 392.421 4.166 20 0 GIADMO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000042330718 821301759 /nfs/dbraw/zinc/30/17/59/821301759.db2.gz IJNNVUNIXWDQSS-KSSFIOAISA-N 1 1 392.421 4.166 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)Cc2sccc2C)c(C(F)(F)F)c1 ZINC000042473824 821308762 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Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000181516182 821862992 /nfs/dbraw/zinc/86/29/92/821862992.db2.gz NKMGEZFXHHMEKT-MRXNPFEDSA-N 1 1 395.425 4.081 20 0 GIADMO C[C@@H](NC(=O)c1cnc(-c2ccsc2)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181547156 821876060 /nfs/dbraw/zinc/87/60/60/821876060.db2.gz IEPIDYONKBOSEE-KGLIPLIRSA-N 1 1 375.563 4.254 20 0 GIADMO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ncc(Br)s1 ZINC000181591404 821893175 /nfs/dbraw/zinc/89/31/75/821893175.db2.gz YYMUWLVVSZLACR-OLZOCXBDSA-N 1 1 395.370 4.177 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C2CC2)n1 ZINC000181595219 821895423 /nfs/dbraw/zinc/89/54/23/821895423.db2.gz MRSMQDOOEREOOI-INIZCTEOSA-N 1 1 394.338 4.202 20 0 GIADMO C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181633493 821914375 /nfs/dbraw/zinc/91/43/75/821914375.db2.gz CAFMFYLJBYEIOH-MJGOQNOKSA-N 1 1 392.547 4.133 20 0 GIADMO C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181638298 821916834 /nfs/dbraw/zinc/91/68/34/821916834.db2.gz YBAFXNYILNXQDN-LSDHHAIUSA-N 1 1 387.911 4.378 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000181657377 821926970 /nfs/dbraw/zinc/92/69/70/821926970.db2.gz OQCWNRSYKYDBPB-MRXNPFEDSA-N 1 1 386.801 4.275 20 0 GIADMO CO[C@H](C)c1nc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)cs1 ZINC000181664145 821931331 /nfs/dbraw/zinc/93/13/31/821931331.db2.gz NCUZIYFOXIRITL-LLVKDONJSA-N 1 1 389.443 4.212 20 0 GIADMO C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669530 821934862 /nfs/dbraw/zinc/93/48/62/821934862.db2.gz SXIIHACIDVOGQE-MJGOQNOKSA-N 1 1 397.588 4.046 20 0 GIADMO C[C@H](NC(=O)c1cccnc1SC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670074 821935523 /nfs/dbraw/zinc/93/55/23/821935523.db2.gz AKHUSRSQJZROKV-QWHCGFSZSA-N 1 1 387.471 4.076 20 0 GIADMO CCC[C@@H]([NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)c1ccccc1 ZINC000181766727 821983774 /nfs/dbraw/zinc/98/37/74/821983774.db2.gz QISREGZMDWBLEG-QGZVFWFLSA-N 1 1 397.475 4.393 20 0 GIADMO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181827014 822008547 /nfs/dbraw/zinc/00/85/47/822008547.db2.gz NMVRXURZDRANKC-SFHVURJKSA-N 1 1 388.895 4.260 20 0 GIADMO CCn1c(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)nc2cc(F)ccc21 ZINC000181834533 822011929 /nfs/dbraw/zinc/01/19/29/822011929.db2.gz ZXDRCAJECPLGOZ-GOSISDBHSA-N 1 1 383.467 4.368 20 0 GIADMO CCC[C@H]([NH2+]Cc1csc(CC(=O)NC)n1)c1cccc(C(F)(F)F)c1 ZINC000181853707 822017189 /nfs/dbraw/zinc/01/71/89/822017189.db2.gz STVNSTNZVIXBTQ-HNNXBMFYSA-N 1 1 385.455 4.081 20 0 GIADMO CC(C)OCCCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000181869049 822021642 /nfs/dbraw/zinc/02/16/42/822021642.db2.gz HKXYKIDRVXINPJ-IBGZPJMESA-N 1 1 375.557 4.065 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC000181894873 822029377 /nfs/dbraw/zinc/02/93/77/822029377.db2.gz ALITYYSRVIXCDN-GOSISDBHSA-N 1 1 399.482 4.280 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000181917430 822036365 /nfs/dbraw/zinc/03/63/65/822036365.db2.gz HMUMORDKGYUMAZ-HNNXBMFYSA-N 1 1 384.293 4.134 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000181930596 822038703 /nfs/dbraw/zinc/03/87/03/822038703.db2.gz MYKRPGMOSHQRPG-FHWLQOOXSA-N 1 1 395.547 4.105 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(Cl)cc1F ZINC000181934288 822039383 /nfs/dbraw/zinc/03/93/83/822039383.db2.gz NJYCXZVHXUWRIO-LJQANCHMSA-N 1 1 398.931 4.216 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000181994878 822056616 /nfs/dbraw/zinc/05/66/16/822056616.db2.gz BIINCDICUMNJJT-VHSXEESVSA-N 1 1 383.782 4.204 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1ccc(-n2ccnn2)cc1 ZINC000182011917 822061911 /nfs/dbraw/zinc/06/19/11/822061911.db2.gz LDJBQKFAEILZDE-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccc(-n2ccnn2)cc1 ZINC000182017608 822063972 /nfs/dbraw/zinc/06/39/72/822063972.db2.gz MYYDZBJFZBYNFD-LBPRGKRZSA-N 1 1 375.245 4.020 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(OCC2CCOCC2)cc1 ZINC000182017392 822064235 /nfs/dbraw/zinc/06/42/35/822064235.db2.gz AKHBIIDEDBKGDD-DVECYGJZSA-N 1 1 395.547 4.210 20 0 GIADMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000182038579 822070053 /nfs/dbraw/zinc/07/00/53/822070053.db2.gz CZQPICXAUOCNPX-HNNXBMFYSA-N 1 1 397.450 4.048 20 0 GIADMO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2csc(CC(=O)N(C)C)n2)cc1 ZINC000182104507 822095478 /nfs/dbraw/zinc/09/54/78/822095478.db2.gz FPBWJKFJHHUOIM-AWEZNQCLSA-N 1 1 377.579 4.125 20 0 GIADMO C[S@](=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1Br)c1ccccc1 ZINC000182109092 822097274 /nfs/dbraw/zinc/09/72/74/822097274.db2.gz PKZSATSMGQNXRW-KKSFZXQISA-N 1 1 386.742 4.312 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnn(CCC(F)(F)F)c3)cc2)C1 ZINC000182161243 822124489 /nfs/dbraw/zinc/12/44/89/822124489.db2.gz NQHUGFURVWXICH-HNNXBMFYSA-N 1 1 394.441 4.320 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182163525 822125978 /nfs/dbraw/zinc/12/59/78/822125978.db2.gz LKLVKKOJCRPDJE-AWEZNQCLSA-N 1 1 375.900 4.246 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182163548 822126063 /nfs/dbraw/zinc/12/60/63/822126063.db2.gz LKLVKKOJCRPDJE-CQSZACIVSA-N 1 1 375.900 4.246 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](Cc3cccc(O)c3)CC3CC3)co2)cc1 ZINC000182170282 822129495 /nfs/dbraw/zinc/12/94/95/822129495.db2.gz KLXQELPSTWJTBE-UHFFFAOYSA-N 1 1 392.455 4.246 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+](Cc3cccc(O)c3)CC3CC3)co2)cc1 ZINC000182170282 822129501 /nfs/dbraw/zinc/12/95/01/822129501.db2.gz KLXQELPSTWJTBE-UHFFFAOYSA-N 1 1 392.455 4.246 20 0 GIADMO COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000182210508 822149271 /nfs/dbraw/zinc/14/92/71/822149271.db2.gz IZOAFBBMPPNREV-CVEARBPZSA-N 1 1 380.282 4.139 20 0 GIADMO COc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000182210508 822149275 /nfs/dbraw/zinc/14/92/75/822149275.db2.gz IZOAFBBMPPNREV-CVEARBPZSA-N 1 1 380.282 4.139 20 0 GIADMO COc1cc([C@H](C)[NH2+]C2(c3cccc(F)c3)CC2)ccc1S(=O)(=O)C(F)F ZINC000182214966 822151378 /nfs/dbraw/zinc/15/13/78/822151378.db2.gz YTFZWKMUSKHIRT-LBPRGKRZSA-N 1 1 399.434 4.171 20 0 GIADMO CCOc1cccc2cc([C@H](C)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)oc21 ZINC000182267780 822179122 /nfs/dbraw/zinc/17/91/22/822179122.db2.gz RGWGQOCZODUGOA-UWJYYQICSA-N 1 1 394.515 4.249 20 0 GIADMO CCOc1cccc2cc([C@H](C)NCc3ccccc3C[N@H+]3CC[C@H](O)C3)oc21 ZINC000182267780 822179126 /nfs/dbraw/zinc/17/91/26/822179126.db2.gz RGWGQOCZODUGOA-UWJYYQICSA-N 1 1 394.515 4.249 20 0 GIADMO C[C@@H]([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc2c(c1)OCO2 ZINC000182286677 822187621 /nfs/dbraw/zinc/18/76/21/822187621.db2.gz YZMDFKVOGZKJJA-CQSZACIVSA-N 1 1 379.435 4.080 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cs2)c1 ZINC000182294804 822190595 /nfs/dbraw/zinc/19/05/95/822190595.db2.gz ZYNVFZVPSNOMRO-ZDUSSCGKSA-N 1 1 396.468 4.176 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@@H](CC)[C@H]2CCCO2)cs1 ZINC000182308161 822197069 /nfs/dbraw/zinc/19/70/69/822197069.db2.gz YEUPXKJCGSBMKE-AZUAARDMSA-N 1 1 387.549 4.437 20 0 GIADMO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1c(C)noc1C ZINC000182421579 822236687 /nfs/dbraw/zinc/23/66/87/822236687.db2.gz FTSIQRLQWQHGCO-SFHVURJKSA-N 1 1 378.538 4.104 20 0 GIADMO COc1cccc2[nH]cc(CC(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)c21 ZINC000182463325 822252736 /nfs/dbraw/zinc/25/27/36/822252736.db2.gz OJPRTCFVQKWINH-GOSISDBHSA-N 1 1 397.563 4.222 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)C(=O)CCC4)cc2)C[C@H](C)O1 ZINC000177982900 822268772 /nfs/dbraw/zinc/26/87/72/822268772.db2.gz JLKYRHUIDHWZKG-CALCHBBNSA-N 1 1 392.499 4.067 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)C(=O)CCC4)cc2)C[C@H](C)O1 ZINC000177982900 822268777 /nfs/dbraw/zinc/26/87/77/822268777.db2.gz JLKYRHUIDHWZKG-CALCHBBNSA-N 1 1 392.499 4.067 20 0 GIADMO CC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000182499256 822269811 /nfs/dbraw/zinc/26/98/11/822269811.db2.gz UVVPHGBOUHYCLI-UKRRQHHQSA-N 1 1 377.916 4.317 20 0 GIADMO Cc1cccc(C)c1NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000177988263 822271347 /nfs/dbraw/zinc/27/13/47/822271347.db2.gz UHIGRBZPYKDRBD-UHFFFAOYSA-N 1 1 390.487 4.249 20 0 GIADMO CCOC(=O)c1oc2ccccc2c1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000182524919 822282659 /nfs/dbraw/zinc/28/26/59/822282659.db2.gz XKXPYAKTDNADTE-AWEZNQCLSA-N 1 1 380.444 4.419 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)C1 ZINC000178036517 822292663 /nfs/dbraw/zinc/29/26/63/822292663.db2.gz GWPQYTLXYCHHSV-SFHVURJKSA-N 1 1 397.567 4.284 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)ccc2SCC(F)(F)F)C1 ZINC000178038315 822294139 /nfs/dbraw/zinc/29/41/39/822294139.db2.gz MLDYZDKJMCTVSF-CQSZACIVSA-N 1 1 389.487 4.455 20 0 GIADMO CN(C)C(=O)Cc1nc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)cs1 ZINC000182549652 822296809 /nfs/dbraw/zinc/29/68/09/822296809.db2.gz AKTXJQQMGLWQKX-HXUWFJFHSA-N 1 1 391.968 4.448 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1)c1ccccc1 ZINC000178049006 822300147 /nfs/dbraw/zinc/30/01/47/822300147.db2.gz ULYBWLNCWPJZOJ-KRWDZBQOSA-N 1 1 393.462 4.123 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1)c1ccccc1 ZINC000178049006 822300159 /nfs/dbraw/zinc/30/01/59/822300159.db2.gz ULYBWLNCWPJZOJ-KRWDZBQOSA-N 1 1 393.462 4.123 20 0 GIADMO C[C@H]([NH2+][C@H]1CCc2c1cccc2Br)c1cn(-c2ccccc2)nn1 ZINC000178050423 822301022 /nfs/dbraw/zinc/30/10/22/822301022.db2.gz BEGVJKQNZVJCJG-UGSOOPFHSA-N 1 1 383.293 4.368 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1)c1ccccc1 ZINC000178056503 822303730 /nfs/dbraw/zinc/30/37/30/822303730.db2.gz VBVXYUFZOFGSTN-CQSZACIVSA-N 1 1 393.350 4.153 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1)c1ccccc1 ZINC000178056503 822303738 /nfs/dbraw/zinc/30/37/38/822303738.db2.gz VBVXYUFZOFGSTN-CQSZACIVSA-N 1 1 393.350 4.153 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000178062107 822305831 /nfs/dbraw/zinc/30/58/31/822305831.db2.gz KDFPULWPZDMZMC-NRFANRHFSA-N 1 1 394.943 4.069 20 0 GIADMO CC(C)c1nc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)cs1 ZINC000178066369 822307205 /nfs/dbraw/zinc/30/72/05/822307205.db2.gz MASVHUDGGRYMKV-UHFFFAOYSA-N 1 1 397.585 4.162 20 0 GIADMO C[N@@H+](Cc1cc(=O)n2nccc2[nH]1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000178068291 822308432 /nfs/dbraw/zinc/30/84/32/822308432.db2.gz HCLQTSOJPXYEJT-NRFANRHFSA-N 1 1 396.853 4.037 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178074119 822310124 /nfs/dbraw/zinc/31/01/24/822310124.db2.gz YRXFFMIFXVAOIY-CYBMUJFWSA-N 1 1 394.479 4.084 20 0 GIADMO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)c1 ZINC000178105874 822321898 /nfs/dbraw/zinc/32/18/98/822321898.db2.gz UVSZUPOKTBAAFO-GGAORHGYSA-N 1 1 393.508 4.293 20 0 GIADMO O=C(CC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1 ZINC000182614933 822323665 /nfs/dbraw/zinc/32/36/65/822323665.db2.gz SZSXKRXCQHLUMP-SFHVURJKSA-N 1 1 378.394 4.108 20 0 GIADMO O=C(CC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1 ZINC000182614933 822323677 /nfs/dbraw/zinc/32/36/77/822323677.db2.gz SZSXKRXCQHLUMP-SFHVURJKSA-N 1 1 378.394 4.108 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000178131628 822328439 /nfs/dbraw/zinc/32/84/39/822328439.db2.gz HCWKINYBEQBNPY-MBSDFSHPSA-N 1 1 393.531 4.074 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(CO)cc1 ZINC000182639183 822334269 /nfs/dbraw/zinc/33/42/69/822334269.db2.gz RBYSUJIEZWKTAG-UHFFFAOYSA-N 1 1 381.303 4.336 20 0 GIADMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000182649508 822338742 /nfs/dbraw/zinc/33/87/42/822338742.db2.gz MMCCQTVFUZCPLZ-QGZVFWFLSA-N 1 1 387.549 4.468 20 0 GIADMO C[C@@H](NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000182656614 822340881 /nfs/dbraw/zinc/34/08/81/822340881.db2.gz YLQKAGABDGQNBK-ZHALLVOQSA-N 1 1 396.535 4.355 20 0 GIADMO CC(C)c1nc(-c2ccccc2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000178175262 822341896 /nfs/dbraw/zinc/34/18/96/822341896.db2.gz OXFAAMRWWZEIHE-MRXNPFEDSA-N 1 1 381.524 4.188 20 0 GIADMO CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[nH]1 ZINC000178175262 822341904 /nfs/dbraw/zinc/34/19/04/822341904.db2.gz OXFAAMRWWZEIHE-MRXNPFEDSA-N 1 1 381.524 4.188 20 0 GIADMO CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[nH]1 ZINC000178175262 822341914 /nfs/dbraw/zinc/34/19/14/822341914.db2.gz OXFAAMRWWZEIHE-MRXNPFEDSA-N 1 1 381.524 4.188 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCc1cc[nH]c1)CC2 ZINC000178204535 822351872 /nfs/dbraw/zinc/35/18/72/822351872.db2.gz ZDAXRIQHQMDNKP-UHFFFAOYSA-N 1 1 377.488 4.202 20 0 GIADMO CC(C)Sc1ccc([C@H](C)NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000182693038 822353143 /nfs/dbraw/zinc/35/31/43/822353143.db2.gz WRUHNZHLGLTKDD-QRFRQXIXSA-N 1 1 375.582 4.374 20 0 GIADMO Cc1[nH]c2c(cccc2C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000178232720 822356971 /nfs/dbraw/zinc/35/69/71/822356971.db2.gz HKSIJBLUVVKOAW-CALCHBBNSA-N 1 1 397.563 4.136 20 0 GIADMO Cc1ccc(CCCC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178234148 822357119 /nfs/dbraw/zinc/35/71/19/822357119.db2.gz YVYAPSGMUTXXEC-OYRHEFFESA-N 1 1 386.580 4.056 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)CC/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000178244584 822357973 /nfs/dbraw/zinc/35/79/73/822357973.db2.gz QGQHFXVDSOAAHY-YHWHNIOJSA-N 1 1 384.564 4.218 20 0 GIADMO Cc1ccc(C[C@H](CO)[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)cc1C ZINC000453411452 822359016 /nfs/dbraw/zinc/35/90/16/822359016.db2.gz AMVQBJGZSQZEFB-OFNKIYASSA-N 1 1 382.454 4.259 20 0 GIADMO Cc1ccc(N2CCC(c3nc(-c4ccc(Br)o4)no3)CC2)[nH+]c1 ZINC000178272766 822361706 /nfs/dbraw/zinc/36/17/06/822361706.db2.gz NPOLYJNBQDFVIE-UHFFFAOYSA-N 1 1 389.253 4.180 20 0 GIADMO Cc1cc([C@@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(C)s1 ZINC000182763423 822363877 /nfs/dbraw/zinc/36/38/77/822363877.db2.gz WEGKJKFZZCMZBW-GOSISDBHSA-N 1 1 399.604 4.105 20 0 GIADMO CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000453451748 822365793 /nfs/dbraw/zinc/36/57/93/822365793.db2.gz PBCLSPRSGDRURV-ICSRJNTNSA-N 1 1 389.588 4.021 20 0 GIADMO CC[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000178309639 822366046 /nfs/dbraw/zinc/36/60/46/822366046.db2.gz YKKIZVUGZHXEEX-GXTWGEPZSA-N 1 1 389.487 4.384 20 0 GIADMO CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453452660 822366059 /nfs/dbraw/zinc/36/60/59/822366059.db2.gz QEOWTPYJAROJKH-JBACZVJFSA-N 1 1 397.567 4.029 20 0 GIADMO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000045166952 822367828 /nfs/dbraw/zinc/36/78/28/822367828.db2.gz QEYFKTAPPAFAQB-MRXNPFEDSA-N 1 1 384.842 4.428 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCc1cccs1 ZINC000178333510 822368018 /nfs/dbraw/zinc/36/80/18/822368018.db2.gz PGVQLNUCLZSGTO-LJQANCHMSA-N 1 1 394.544 4.271 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(F)c(Cl)c1F ZINC000182794617 822368514 /nfs/dbraw/zinc/36/85/14/822368514.db2.gz LBOFFQKNFWRAIB-UHFFFAOYSA-N 1 1 382.863 4.419 20 0 GIADMO COC(=O)c1c(C[N@@H+](C)C[C@@H]2CCOC2)nc2ccccc2c1-c1ccccc1 ZINC000178340402 822369068 /nfs/dbraw/zinc/36/90/68/822369068.db2.gz HGQLGDWHFWHGGZ-KRWDZBQOSA-N 1 1 390.483 4.157 20 0 GIADMO COc1ccc(Br)cc1-c1nc(C[N@@H+](C)C[C@@H]2CCOC2)cs1 ZINC000178345086 822369539 /nfs/dbraw/zinc/36/95/39/822369539.db2.gz YHZKKVUGNZYLCO-LBPRGKRZSA-N 1 1 397.338 4.050 20 0 GIADMO CCOc1ccc([C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)C)cc1OCC ZINC000182806708 822370973 /nfs/dbraw/zinc/37/09/73/822370973.db2.gz MFBJHXMEDLUASR-NRFANRHFSA-N 1 1 387.524 4.317 20 0 GIADMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000178391619 822374593 /nfs/dbraw/zinc/37/45/93/822374593.db2.gz OKBFJAFWNOYOOV-KRWDZBQOSA-N 1 1 376.516 4.169 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000178391619 822374597 /nfs/dbraw/zinc/37/45/97/822374597.db2.gz OKBFJAFWNOYOOV-KRWDZBQOSA-N 1 1 376.516 4.169 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182835658 822375361 /nfs/dbraw/zinc/37/53/61/822375361.db2.gz JTFCDRHXFOTJQB-DFQSSKMNSA-N 1 1 387.543 4.053 20 0 GIADMO Cc1nc(-c2ccc(CNC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)o2)cs1 ZINC000045275135 822375551 /nfs/dbraw/zinc/37/55/51/822375551.db2.gz OLKYNMTZQWERQP-OAHLLOKOSA-N 1 1 390.553 4.165 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178405920 822376133 /nfs/dbraw/zinc/37/61/33/822376133.db2.gz HYDWRIXRDLRYKI-KGLIPLIRSA-N 1 1 396.915 4.431 20 0 GIADMO Fc1cc2cccnc2c(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182842174 822376857 /nfs/dbraw/zinc/37/68/57/822376857.db2.gz AATLKNKXJOIMME-MRXNPFEDSA-N 1 1 378.373 4.426 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1SC ZINC000182845238 822377405 /nfs/dbraw/zinc/37/74/05/822377405.db2.gz QBBDDSAWVUXFIU-CQSZACIVSA-N 1 1 385.455 4.470 20 0 GIADMO CCN(c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)C(C)C ZINC000178429677 822378242 /nfs/dbraw/zinc/37/82/42/822378242.db2.gz ADVOZOACLHXRBV-GCJKJVERSA-N 1 1 384.568 4.402 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182855357 822379577 /nfs/dbraw/zinc/37/95/77/822379577.db2.gz CBVAEHIWYHSPRZ-GOEBONIOSA-N 1 1 382.508 4.480 20 0 GIADMO CSCC[C@H]([NH2+][C@H](C)c1ccc2ccccc2n1)c1nnc2ccccn21 ZINC000178455295 822380599 /nfs/dbraw/zinc/38/05/99/822380599.db2.gz RTZSZMHBASDJFM-BEFAXECRSA-N 1 1 377.517 4.423 20 0 GIADMO C[C@@H](NC(=O)c1ccccc1C(=O)c1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182860059 822380819 /nfs/dbraw/zinc/38/08/19/822380819.db2.gz KSEFJJJPBVZGLJ-IAGOWNOFSA-N 1 1 396.556 4.362 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)n1 ZINC000178478652 822383226 /nfs/dbraw/zinc/38/32/26/822383226.db2.gz QCCBQYZZQJJFRU-JOCHJYFZSA-N 1 1 392.547 4.073 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000178477717 822383277 /nfs/dbraw/zinc/38/32/77/822383277.db2.gz XEGOVDKMNJUMFB-CYBMUJFWSA-N 1 1 386.293 4.173 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)cnn1-c1ccc(F)cc1 ZINC000182876964 822384243 /nfs/dbraw/zinc/38/42/43/822384243.db2.gz ZAXBUQFBBRTQRN-ZDUSSCGKSA-N 1 1 385.414 4.176 20 0 GIADMO c1sc(-c2ccccn2)nc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000453577615 822387329 /nfs/dbraw/zinc/38/73/29/822387329.db2.gz TZHPZVFQUGBOPM-UHFFFAOYSA-N 1 1 377.513 4.269 20 0 GIADMO C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182896449 822388024 /nfs/dbraw/zinc/38/80/24/822388024.db2.gz VEXZBABMFZMDPB-GOEBONIOSA-N 1 1 375.479 4.013 20 0 GIADMO C[C@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182896494 822388072 /nfs/dbraw/zinc/38/80/72/822388072.db2.gz VEXZBABMFZMDPB-HOCLYGCPSA-N 1 1 375.479 4.013 20 0 GIADMO C[N@@H+](CCCNC(=O)c1ccc(C(F)(F)F)nc1Cl)Cc1ccccc1 ZINC000178531631 822388518 /nfs/dbraw/zinc/38/85/18/822388518.db2.gz NDTNRXAAICHBST-UHFFFAOYSA-N 1 1 385.817 4.006 20 0 GIADMO Cc1cc(Br)c(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)s1 ZINC000453598950 822391049 /nfs/dbraw/zinc/39/10/49/822391049.db2.gz OXLTVDXMPYRXBM-UHFFFAOYSA-N 1 1 385.293 4.278 20 0 GIADMO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000182916039 822392059 /nfs/dbraw/zinc/39/20/59/822392059.db2.gz RRUQNRLJCTYXKJ-RBUKOAKNSA-N 1 1 395.551 4.264 20 0 GIADMO COc1cccc(C2CCN(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC000182927719 822394370 /nfs/dbraw/zinc/39/43/70/822394370.db2.gz NYKSIDAEUYBWSF-RXVVDRJESA-N 1 1 399.579 4.237 20 0 GIADMO CC[C@@H](C)[N@@H+](CCc1cccnc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178595112 822394944 /nfs/dbraw/zinc/39/49/44/822394944.db2.gz CZESLANYZQOEKO-OAHLLOKOSA-N 1 1 379.426 4.382 20 0 GIADMO Cc1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182965541 822400960 /nfs/dbraw/zinc/40/09/60/822400960.db2.gz NUIGVBYQMFEFCZ-PTUXOGIPSA-N 1 1 397.563 4.179 20 0 GIADMO CCO[C@H]1C[C@H](Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)C12CCC2 ZINC000182968072 822401379 /nfs/dbraw/zinc/40/13/79/822401379.db2.gz IMIFIAKFMYRGLN-SFTDATJTSA-N 1 1 385.552 4.179 20 0 GIADMO CCOC[C@H](C)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000182968839 822401457 /nfs/dbraw/zinc/40/14/57/822401457.db2.gz VLGMRVJKGFVHAP-KRWDZBQOSA-N 1 1 384.520 4.099 20 0 GIADMO CC(C)c1cnc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)s1 ZINC000183003272 822409381 /nfs/dbraw/zinc/40/93/81/822409381.db2.gz DDMFCXZTURIUGI-UHFFFAOYSA-N 1 1 378.929 4.166 20 0 GIADMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(Cl)c1 ZINC000183005467 822409562 /nfs/dbraw/zinc/40/95/62/822409562.db2.gz UDEVYJNIRFKOIA-BFUOFWGJSA-N 1 1 375.875 4.102 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cc1CN1CCCCC1 ZINC000183006570 822410075 /nfs/dbraw/zinc/41/00/75/822410075.db2.gz OHJNGXMSNFPMNH-VGOFRKELSA-N 1 1 388.577 4.301 20 0 GIADMO COc1ccccc1CN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000045778237 822412665 /nfs/dbraw/zinc/41/26/65/822412665.db2.gz CSKSHADXWAQXDI-LJQANCHMSA-N 1 1 395.547 4.411 20 0 GIADMO COc1cccc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000045780491 822413098 /nfs/dbraw/zinc/41/30/98/822413098.db2.gz HNEFSPQBKLYWFB-LJQANCHMSA-N 1 1 395.547 4.411 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nccs1 ZINC000183026681 822413703 /nfs/dbraw/zinc/41/37/03/822413703.db2.gz PHVUETCLAWZIGL-SWLSCSKDSA-N 1 1 383.439 4.004 20 0 GIADMO CCOc1ccc(CN(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000045790128 822413985 /nfs/dbraw/zinc/41/39/85/822413985.db2.gz RMSQTLGAJUZGBG-UHFFFAOYSA-N 1 1 383.536 4.267 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2Br)cc1OC ZINC000178885269 822418991 /nfs/dbraw/zinc/41/89/91/822418991.db2.gz JCZQDPNNNCAWHK-GFCCVEGCSA-N 1 1 378.266 4.095 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1)C1CCCCC1 ZINC000183063213 822419134 /nfs/dbraw/zinc/41/91/34/822419134.db2.gz IRIKQZOJZKKMGH-FQEVSTJZSA-N 1 1 396.539 4.328 20 0 GIADMO C[N@H+](Cc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1)C1CCCCC1 ZINC000183063213 822419137 /nfs/dbraw/zinc/41/91/37/822419137.db2.gz IRIKQZOJZKKMGH-FQEVSTJZSA-N 1 1 396.539 4.328 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CCCC[C@H]1c1nnc[nH]1)C1CCCCC1 ZINC000183063213 822419140 /nfs/dbraw/zinc/41/91/40/822419140.db2.gz IRIKQZOJZKKMGH-FQEVSTJZSA-N 1 1 396.539 4.328 20 0 GIADMO O=C(c1ccc(Cl)c2cccnc12)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000045888356 822421955 /nfs/dbraw/zinc/42/19/55/822421955.db2.gz CPNBUUSGWLGNKS-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO O=C(c1ccc(Cl)c2cccnc12)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000045888356 822421956 /nfs/dbraw/zinc/42/19/56/822421956.db2.gz CPNBUUSGWLGNKS-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@H](O)COCc2cccs2)CC1 ZINC000178970216 822425348 /nfs/dbraw/zinc/42/53/48/822425348.db2.gz MHUDLKYIPAJASY-SFHVURJKSA-N 1 1 382.529 4.205 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000045947529 822426249 /nfs/dbraw/zinc/42/62/49/822426249.db2.gz CEFBAIXHGIFGGF-INIZCTEOSA-N 1 1 381.476 4.111 20 0 GIADMO C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000183117284 822426730 /nfs/dbraw/zinc/42/67/30/822426730.db2.gz HJWXRFAHLDPUEN-ZQDHAPQSSA-N 1 1 386.561 4.021 20 0 GIADMO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178987933 822426709 /nfs/dbraw/zinc/42/67/09/822426709.db2.gz UGCGRCLVMKPZAA-SJCJKPOMSA-N 1 1 383.319 4.091 20 0 GIADMO c1c(C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)nnn1Cc1cccnc1 ZINC000183130567 822428478 /nfs/dbraw/zinc/42/84/78/822428478.db2.gz HVKAKNHPXISRIL-VWLOTQADSA-N 1 1 395.510 4.064 20 0 GIADMO c1c(C[N@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)nnn1Cc1cccnc1 ZINC000183130567 822428480 /nfs/dbraw/zinc/42/84/80/822428480.db2.gz HVKAKNHPXISRIL-VWLOTQADSA-N 1 1 395.510 4.064 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000045980072 822429161 /nfs/dbraw/zinc/42/91/61/822429161.db2.gz HELHMXLZPKUKDP-KRWDZBQOSA-N 1 1 394.519 4.341 20 0 GIADMO Cc1nc(N2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)sc1C ZINC000179010762 822429700 /nfs/dbraw/zinc/42/97/00/822429700.db2.gz VLPCPUKMCHWQCC-UHFFFAOYSA-N 1 1 394.544 4.056 20 0 GIADMO CC[N@H+](CCc1nccs1)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000179042226 822432702 /nfs/dbraw/zinc/43/27/02/822432702.db2.gz AGKGWSCBELOROD-UHFFFAOYSA-N 1 1 387.574 4.419 20 0 GIADMO CC[N@@H+](CCc1nccs1)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000179042226 822432704 /nfs/dbraw/zinc/43/27/04/822432704.db2.gz AGKGWSCBELOROD-UHFFFAOYSA-N 1 1 387.574 4.419 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183180185 822436550 /nfs/dbraw/zinc/43/65/50/822436550.db2.gz BIUAONBUYKPCKB-ZDUSSCGKSA-N 1 1 398.404 4.014 20 0 GIADMO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191139 822438598 /nfs/dbraw/zinc/43/85/98/822438598.db2.gz GDXWTIORQFIZDL-SVFBPWRDSA-N 1 1 396.579 4.303 20 0 GIADMO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191139 822438602 /nfs/dbraw/zinc/43/86/02/822438602.db2.gz GDXWTIORQFIZDL-SVFBPWRDSA-N 1 1 396.579 4.303 20 0 GIADMO C[C@@H](CNC(=S)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000046103891 822441354 /nfs/dbraw/zinc/44/13/54/822441354.db2.gz ZWZGOCPEOVVRGU-LBPRGKRZSA-N 1 1 397.516 4.083 20 0 GIADMO C[C@@H](CNC(=S)Nc1ccc(OC(F)F)cc1)[N@H+]1CCc2sccc2C1 ZINC000046103891 822441357 /nfs/dbraw/zinc/44/13/57/822441357.db2.gz ZWZGOCPEOVVRGU-LBPRGKRZSA-N 1 1 397.516 4.083 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)C1CCCCC1 ZINC000454233241 822441674 /nfs/dbraw/zinc/44/16/74/822441674.db2.gz WWLKPZHZXHMOBD-WOIUINJBSA-N 1 1 399.579 4.466 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)nc(C3CC3)n4C)CC2)[nH+]c1 ZINC000179134546 822441775 /nfs/dbraw/zinc/44/17/75/822441775.db2.gz ZXDHGJWRYBTMHR-UHFFFAOYSA-N 1 1 389.503 4.009 20 0 GIADMO C[C@@H](CNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)[N@@H+]1CCc2sccc2C1 ZINC000454241888 822442676 /nfs/dbraw/zinc/44/26/76/822442676.db2.gz CDQSLNIBOOCQRW-KXBFYZLASA-N 1 1 385.533 4.025 20 0 GIADMO C[C@@H](CNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)[N@H+]1CCc2sccc2C1 ZINC000454241888 822442678 /nfs/dbraw/zinc/44/26/78/822442678.db2.gz CDQSLNIBOOCQRW-KXBFYZLASA-N 1 1 385.533 4.025 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)cc1F ZINC000183220230 822443351 /nfs/dbraw/zinc/44/33/51/822443351.db2.gz DLDPNXKKRNSUNV-VFNWGFHPSA-N 1 1 393.466 4.008 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)c3cccc(F)c3)CC[N@H+]2C2CC2)c1 ZINC000183231497 822444859 /nfs/dbraw/zinc/44/48/59/822444859.db2.gz NQYHXLOYYLBFDY-ITEAAPOESA-N 1 1 382.479 4.032 20 0 GIADMO Cc1ccccc1[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)C(C)C ZINC000183233236 822445303 /nfs/dbraw/zinc/44/53/03/822445303.db2.gz RBAIQGGDGSVNLM-LJQANCHMSA-N 1 1 387.434 4.059 20 0 GIADMO CCCc1ncc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)o1 ZINC000454264270 822446043 /nfs/dbraw/zinc/44/60/43/822446043.db2.gz LOVFCHRDNCUGPR-KRWDZBQOSA-N 1 1 384.524 4.001 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3cccc(C(F)F)c3)CC[N@H+]2C2CC2)c1 ZINC000183238532 822446404 /nfs/dbraw/zinc/44/64/04/822446404.db2.gz GTEOVJMWDLVBPH-UXHICEINSA-N 1 1 386.442 4.341 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3sccc3SC)CC[N@@H+]2C2CC2)c1 ZINC000183246960 822448000 /nfs/dbraw/zinc/44/80/00/822448000.db2.gz HFFPJZCRBJBSBS-WMZOPIPTSA-N 1 1 388.558 4.186 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3sccc3SC)CC[N@H+]2C2CC2)c1 ZINC000183246960 822448002 /nfs/dbraw/zinc/44/80/02/822448002.db2.gz HFFPJZCRBJBSBS-WMZOPIPTSA-N 1 1 388.558 4.186 20 0 GIADMO Fc1cccc(C2([NH2+]Cn3nc(C4CC4)n(C4CC4)c3=S)CCOCC2)c1 ZINC000179184748 822448010 /nfs/dbraw/zinc/44/80/10/822448010.db2.gz HEKVAFTYIRVHME-UHFFFAOYSA-N 1 1 388.512 4.018 20 0 GIADMO CCc1nocc1CN(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454276447 822448554 /nfs/dbraw/zinc/44/85/54/822448554.db2.gz TZZOEMMUWOSAHP-HDICACEKSA-N 1 1 398.551 4.057 20 0 GIADMO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ncc(Br)s1 ZINC000179189018 822448700 /nfs/dbraw/zinc/44/87/00/822448700.db2.gz QLYFUPQSTCAJNN-DZGCQCFKSA-N 1 1 380.355 4.393 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCSCc1ccccc1 ZINC000179192826 822449010 /nfs/dbraw/zinc/44/90/10/822449010.db2.gz DQLPXHOHBXTWJQ-QGZVFWFLSA-N 1 1 377.575 4.406 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCSCc1ccccc1 ZINC000179192826 822449014 /nfs/dbraw/zinc/44/90/14/822449014.db2.gz DQLPXHOHBXTWJQ-QGZVFWFLSA-N 1 1 377.575 4.406 20 0 GIADMO C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1ncc(Br)s1 ZINC000179198253 822449696 /nfs/dbraw/zinc/44/96/96/822449696.db2.gz CCHNTZXYKINPMQ-CYBMUJFWSA-N 1 1 380.355 4.005 20 0 GIADMO C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ncc(Br)s1 ZINC000179228385 822453977 /nfs/dbraw/zinc/45/39/77/822453977.db2.gz FWPPSYFNODZFJS-NHYWBVRUSA-N 1 1 377.307 4.443 20 0 GIADMO CCC[N@@H+](Cc1cccc(COC)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000179235423 822455310 /nfs/dbraw/zinc/45/53/10/822455310.db2.gz IHTHZNVXUFZOAK-UHFFFAOYSA-N 1 1 380.532 4.350 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ncc(Br)s1 ZINC000179238545 822455846 /nfs/dbraw/zinc/45/58/46/822455846.db2.gz YITTUVVNDNLVEC-NXEZZACHSA-N 1 1 388.281 4.113 20 0 GIADMO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239060 822455931 /nfs/dbraw/zinc/45/59/31/822455931.db2.gz JCRSXXXZGQJDRN-IPYPFGDCSA-N 1 1 380.355 4.219 20 0 GIADMO C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239060 822455933 /nfs/dbraw/zinc/45/59/33/822455933.db2.gz JCRSXXXZGQJDRN-IPYPFGDCSA-N 1 1 380.355 4.219 20 0 GIADMO CCCc1ncc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)o1 ZINC000454327790 822458472 /nfs/dbraw/zinc/45/84/72/822458472.db2.gz YIABIWIBVLAIJY-QGZVFWFLSA-N 1 1 384.524 4.001 20 0 GIADMO C[C@H](NC(=O)c1ccccc1NCc1cccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183361882 822463843 /nfs/dbraw/zinc/46/38/43/822463843.db2.gz BCEXVFHXOUDVSX-ICSRJNTNSA-N 1 1 392.547 4.077 20 0 GIADMO C[C@@H](NC(=O)c1ccccc1NCc1cccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183361900 822463882 /nfs/dbraw/zinc/46/38/82/822463882.db2.gz BCEXVFHXOUDVSX-QUCCMNQESA-N 1 1 392.547 4.077 20 0 GIADMO COc1cc(N[C@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)cc(OC)c1 ZINC000183366685 822464310 /nfs/dbraw/zinc/46/43/10/822464310.db2.gz NIKDNCAFYSTLAN-IBGZPJMESA-N 1 1 377.488 4.329 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)NCc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179312659 822464623 /nfs/dbraw/zinc/46/46/23/822464623.db2.gz SNFSQXWZVHOJJP-PBHICJAKSA-N 1 1 381.904 4.033 20 0 GIADMO CCOc1ccc([C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c2cccc(Cl)c2)cc1 ZINC000183381154 822466232 /nfs/dbraw/zinc/46/62/32/822466232.db2.gz YMQKPADYJKBJSF-YWZLYKJASA-N 1 1 395.952 4.241 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc(SC)ccc2Cl)CC1 ZINC000179324625 822466299 /nfs/dbraw/zinc/46/62/99/822466299.db2.gz HGLUIGZOSQLPNI-UHFFFAOYSA-N 1 1 399.000 4.273 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000179325331 822466305 /nfs/dbraw/zinc/46/63/05/822466305.db2.gz JSBZLVRRMNTYEV-JOCHJYFZSA-N 1 1 386.580 4.094 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(Oc2nncc3ccccc32)cc1)Cc1ccccc1 ZINC000183405727 822469145 /nfs/dbraw/zinc/46/91/45/822469145.db2.gz AJOHAGPSLDIRCI-UHFFFAOYSA-N 1 1 398.466 4.493 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(Oc2nncc3ccccc32)cc1)Cc1ccccc1 ZINC000183405727 822469148 /nfs/dbraw/zinc/46/91/48/822469148.db2.gz AJOHAGPSLDIRCI-UHFFFAOYSA-N 1 1 398.466 4.493 20 0 GIADMO CCCNC(=O)C1CC[NH+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000179357118 822470717 /nfs/dbraw/zinc/47/07/17/822470717.db2.gz PEMNJFDPGLTOTF-UHFFFAOYSA-N 1 1 395.425 4.099 20 0 GIADMO Cc1nc(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)sc1C ZINC000179363118 822471585 /nfs/dbraw/zinc/47/15/85/822471585.db2.gz BHRDTPZJLJRRRB-CZUORRHYSA-N 1 1 396.919 4.367 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2)C[C@H](C)O1 ZINC000046419706 822472056 /nfs/dbraw/zinc/47/20/56/822472056.db2.gz VSWRXECLCLCDAB-KBPBESRZSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2)C[C@H](C)O1 ZINC000046419704 822472079 /nfs/dbraw/zinc/47/20/79/822472079.db2.gz VSWRXECLCLCDAB-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2)C[C@H](C)O1 ZINC000046419704 822472081 /nfs/dbraw/zinc/47/20/81/822472081.db2.gz VSWRXECLCLCDAB-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO CC(=O)N(c1nc(CN2CCC[N@H+](C3CC3)CC2)cs1)c1ccc(C)cc1C ZINC000179374482 822473354 /nfs/dbraw/zinc/47/33/54/822473354.db2.gz KQEBMHLNQYCIJZ-UHFFFAOYSA-N 1 1 398.576 4.115 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1C1CC1 ZINC000179382333 822474492 /nfs/dbraw/zinc/47/44/92/822474492.db2.gz KVKMGCRXSMLXLQ-KRWDZBQOSA-N 1 1 395.551 4.126 20 0 GIADMO C[C@@H](c1nc(-c2ccccc2)no1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388523 822475595 /nfs/dbraw/zinc/47/55/95/822475595.db2.gz RWGDNULKCKVYOW-SFHVURJKSA-N 1 1 391.519 4.431 20 0 GIADMO CCn1c(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc2c1cccc2F ZINC000179392082 822476030 /nfs/dbraw/zinc/47/60/30/822476030.db2.gz QTXJOLPIULDMAW-UHFFFAOYSA-N 1 1 395.526 4.329 20 0 GIADMO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OCC(F)F ZINC000183456178 822477463 /nfs/dbraw/zinc/47/74/63/822477463.db2.gz GEOJEKBNGDMAJV-JKSUJKDBSA-N 1 1 395.494 4.413 20 0 GIADMO Cc1cc2ncc([C@H](C)NCc3cccc(C[NH+]4CCC(C)CC4)c3)c(C)n2n1 ZINC000179424556 822480563 /nfs/dbraw/zinc/48/05/63/822480563.db2.gz DHDGECAPEQTZTB-IBGZPJMESA-N 1 1 391.563 4.429 20 0 GIADMO CCOc1cc(F)ccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046520196 822480735 /nfs/dbraw/zinc/48/07/35/822480735.db2.gz MIBKELKFXRLVAQ-HZPDHXFCSA-N 1 1 386.467 4.086 20 0 GIADMO Cc1ncsc1C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000179427386 822480974 /nfs/dbraw/zinc/48/09/74/822480974.db2.gz GJLLCECIBHACMY-UHFFFAOYSA-N 1 1 375.501 4.331 20 0 GIADMO Cc1ncsc1C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000179427386 822480977 /nfs/dbraw/zinc/48/09/77/822480977.db2.gz GJLLCECIBHACMY-UHFFFAOYSA-N 1 1 375.501 4.331 20 0 GIADMO Cc1cnn(-c2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2F)c1 ZINC000183488127 822484178 /nfs/dbraw/zinc/48/41/78/822484178.db2.gz AADUNJWUTDHRRI-IRXDYDNUSA-N 1 1 399.514 4.094 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CCOC(C)(C)C2)c1 ZINC000454496801 822484935 /nfs/dbraw/zinc/48/49/35/822484935.db2.gz CFXKYEVRTQFFAV-GOSISDBHSA-N 1 1 384.524 4.382 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C2CC2)n1 ZINC000183493908 822485463 /nfs/dbraw/zinc/48/54/63/822485463.db2.gz OPDPCVZWRPRHTQ-FRFSOERESA-N 1 1 375.563 4.306 20 0 GIADMO C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583951 822488548 /nfs/dbraw/zinc/48/85/48/822488548.db2.gz ZZWKJYDIVGFGNM-LLVKDONJSA-N 1 1 387.789 4.093 20 0 GIADMO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583951 822488550 /nfs/dbraw/zinc/48/85/50/822488550.db2.gz ZZWKJYDIVGFGNM-LLVKDONJSA-N 1 1 387.789 4.093 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@H](C)c3cccc(C4CC4)c3)CC2)[nH+]1 ZINC000454515698 822488705 /nfs/dbraw/zinc/48/87/05/822488705.db2.gz CUXDTYDROJDXAJ-QGZVFWFLSA-N 1 1 378.520 4.297 20 0 GIADMO Cc1cccnc1[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)C(C)C ZINC000454515847 822489017 /nfs/dbraw/zinc/48/90/17/822489017.db2.gz PAAILVVIPNYURI-SIKLNZKXSA-N 1 1 394.563 4.251 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C2CC2)n1 ZINC000183521392 822489212 /nfs/dbraw/zinc/48/92/12/822489212.db2.gz AAIHGBFQQPUTJH-SJKOYZFVSA-N 1 1 395.931 4.332 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N2CC[C@H](C)Sc3ccccc32)C2CC2)n1 ZINC000183539188 822491921 /nfs/dbraw/zinc/49/19/21/822491921.db2.gz SYEKTOPNVKWUIA-LIRRHRJNSA-N 1 1 387.574 4.410 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)n1 ZINC000183542906 822492471 /nfs/dbraw/zinc/49/24/71/822492471.db2.gz JIBGEIARPOGQFK-VQIMIIECSA-N 1 1 382.533 4.136 20 0 GIADMO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000046612959 822492556 /nfs/dbraw/zinc/49/25/56/822492556.db2.gz VLWHKBVSRXBBOZ-CVEARBPZSA-N 1 1 383.483 4.303 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2noc3ccccc23)cc1 ZINC000046615620 822493212 /nfs/dbraw/zinc/49/32/12/822493212.db2.gz OKWXMQZUYPEOAZ-QGZVFWFLSA-N 1 1 377.488 4.061 20 0 GIADMO CC(C)c1cccc2c1OCCC[C@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000179510311 822493421 /nfs/dbraw/zinc/49/34/21/822493421.db2.gz RZIBHITXJQHDSW-OAQYLSRUSA-N 1 1 383.536 4.149 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3CC(F)(F)F)CC2)[nH+]1 ZINC000454541233 822493962 /nfs/dbraw/zinc/49/39/62/822493962.db2.gz YPRRJLJWDFZBOR-RDJZCZTQSA-N 1 1 398.473 4.169 20 0 GIADMO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183553584 822494135 /nfs/dbraw/zinc/49/41/35/822494135.db2.gz LFIVCQYSRZFNMB-PXAZEXFGSA-N 1 1 397.500 4.468 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C2CC2)n1 ZINC000183559397 822494668 /nfs/dbraw/zinc/49/46/68/822494668.db2.gz MDYDGEHTIOCUJL-HOTGVXAUSA-N 1 1 395.450 4.317 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)s1 ZINC000183564751 822495281 /nfs/dbraw/zinc/49/52/81/822495281.db2.gz WXAASZXWAKBUEL-CYBMUJFWSA-N 1 1 383.439 4.321 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)s1 ZINC000183564751 822495284 /nfs/dbraw/zinc/49/52/84/822495284.db2.gz WXAASZXWAKBUEL-CYBMUJFWSA-N 1 1 383.439 4.321 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@H](C)c3cccc(-n4cccn4)c3)n2)ccc1F ZINC000183566395 822495537 /nfs/dbraw/zinc/49/55/37/822495537.db2.gz CZICFAMLCWGJFT-OAHLLOKOSA-N 1 1 377.423 4.221 20 0 GIADMO COc1cc(OC)c([C@@H](C)[NH2+]Cc2cccnc2OCC(F)F)cc1Cl ZINC000179520927 822496094 /nfs/dbraw/zinc/49/60/94/822496094.db2.gz FUIVJNXJUVEFCK-LLVKDONJSA-N 1 1 386.826 4.247 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@@H](C)c3cccc(-n4cccn4)c3)n2)ccc1C ZINC000183579073 822496925 /nfs/dbraw/zinc/49/69/25/822496925.db2.gz WLFYDDQTVQVUCX-INIZCTEOSA-N 1 1 389.459 4.090 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000179530778 822497929 /nfs/dbraw/zinc/49/79/29/822497929.db2.gz WPTSTKBWDFBQOL-CALCHBBNSA-N 1 1 397.567 4.319 20 0 GIADMO Cc1cccc([C@H]([NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c2ccccn2)c1 ZINC000179535266 822499059 /nfs/dbraw/zinc/49/90/59/822499059.db2.gz GNPVVSXKJKPLRR-VGSWGCGISA-N 1 1 395.528 4.202 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1)CC(F)(F)F ZINC000183602161 822499955 /nfs/dbraw/zinc/49/99/55/822499955.db2.gz YUOQDGOWPGDDMM-LLVKDONJSA-N 1 1 389.409 4.176 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179553691 822502409 /nfs/dbraw/zinc/50/24/09/822502409.db2.gz VJFALNFUGWMIBQ-VFNWGFHPSA-N 1 1 399.491 4.032 20 0 GIADMO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(Cl)nc1 ZINC000179555656 822502770 /nfs/dbraw/zinc/50/27/70/822502770.db2.gz UMKYIYDMASHOOA-IXDGSTSKSA-N 1 1 380.319 4.111 20 0 GIADMO CSCC1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000454594251 822502937 /nfs/dbraw/zinc/50/29/37/822502937.db2.gz LWAOWBGVZHUSEE-VWEINGBSSA-N 1 1 389.609 4.261 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c(F)c1 ZINC000179556070 822503020 /nfs/dbraw/zinc/50/30/20/822503020.db2.gz SEKSZPRVJBXBDN-WVFSVQOHSA-N 1 1 392.902 4.210 20 0 GIADMO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(F)cc1F ZINC000179556115 822503075 /nfs/dbraw/zinc/50/30/75/822503075.db2.gz JVVFVGGTUBNLJI-MRFFXTKBSA-N 1 1 380.866 4.341 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1c(F)cccc1F ZINC000454597973 822503757 /nfs/dbraw/zinc/50/37/57/822503757.db2.gz CSPLYADWTZHBSZ-IERDGZPVSA-N 1 1 387.474 4.017 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1csc(Cc2ccccc2)n1 ZINC000046691750 822506271 /nfs/dbraw/zinc/50/62/71/822506271.db2.gz LGMSVJSAUUHTQA-IBGZPJMESA-N 1 1 395.528 4.284 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000454615403 822506764 /nfs/dbraw/zinc/50/67/64/822506764.db2.gz ZVDMBIREOPCXNY-NEWSRXKRSA-N 1 1 379.495 4.164 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000454630336 822509301 /nfs/dbraw/zinc/50/93/01/822509301.db2.gz YNYDJVQKHCRWBW-FPAYPSAMSA-N 1 1 397.485 4.269 20 0 GIADMO Cc1sc2[nH]c(C[NH2+][C@H](C)c3cccc(OC(F)F)c3)nc(=O)c2c1C ZINC000179595350 822509397 /nfs/dbraw/zinc/50/93/97/822509397.db2.gz NTVUAEHPZJPAHL-SNVBAGLBSA-N 1 1 379.432 4.054 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCCc2ccccc2CC1 ZINC000454644441 822511427 /nfs/dbraw/zinc/51/14/27/822511427.db2.gz HSZDYAPHVBJDCV-UHFFFAOYSA-N 1 1 395.572 4.258 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H](CCO)C(C)(C)C)cs1)c1ccc(C)cc1C ZINC000183690470 822512116 /nfs/dbraw/zinc/51/21/16/822512116.db2.gz HQLSIQYQCNLSSX-LJQANCHMSA-N 1 1 389.565 4.331 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(Oc2cnccn2)cc1 ZINC000179610258 822512321 /nfs/dbraw/zinc/51/23/21/822512321.db2.gz IJMWJEVYLRWUMS-UHFFFAOYSA-N 1 1 390.487 4.428 20 0 GIADMO Cc1sc2[nH]c(C[NH2+][C@H](C)c3ccc(OC(F)F)cc3)nc(=O)c2c1C ZINC000179614487 822513085 /nfs/dbraw/zinc/51/30/85/822513085.db2.gz WNCQGMWQFGITSM-SNVBAGLBSA-N 1 1 379.432 4.054 20 0 GIADMO CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1OC ZINC000183704635 822514321 /nfs/dbraw/zinc/51/43/21/822514321.db2.gz MZKVKXXJHQVKED-ZDUSSCGKSA-N 1 1 379.298 4.444 20 0 GIADMO CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1OC ZINC000183717040 822515992 /nfs/dbraw/zinc/51/59/92/822515992.db2.gz OMSNCZYBPIYDAD-ZDUSSCGKSA-N 1 1 379.298 4.444 20 0 GIADMO CCOc1cc(C[N@H+](C)Cc2cc(C)c(C(=O)OC)o2)ccc1OC(F)F ZINC000046777438 822516213 /nfs/dbraw/zinc/51/62/13/822516213.db2.gz MRQPVQLLAYLPEV-UHFFFAOYSA-N 1 1 383.391 4.007 20 0 GIADMO CCOc1cc(C[N@@H+](C)Cc2cc(C)c(C(=O)OC)o2)ccc1OC(F)F ZINC000046777438 822516216 /nfs/dbraw/zinc/51/62/16/822516216.db2.gz MRQPVQLLAYLPEV-UHFFFAOYSA-N 1 1 383.391 4.007 20 0 GIADMO CCOCc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454683784 822516695 /nfs/dbraw/zinc/51/66/95/822516695.db2.gz ZNJAKPIPKBEYNC-IBGZPJMESA-N 1 1 381.520 4.209 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cncc(Br)c1 ZINC000183733725 822518478 /nfs/dbraw/zinc/51/84/78/822518478.db2.gz GPQKZLNQXHWDFR-HZPDHXFCSA-N 1 1 388.353 4.090 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cn(-c3ccccc3)nc2C)CC1 ZINC000183734133 822518616 /nfs/dbraw/zinc/51/86/16/822518616.db2.gz DPFWEHTZQNOPOM-UHFFFAOYSA-N 1 1 383.540 4.157 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000179654567 822521029 /nfs/dbraw/zinc/52/10/29/822521029.db2.gz OMGKVVZLLOEJRI-OAQYLSRUSA-N 1 1 382.479 4.167 20 0 GIADMO CCN(Cc1nnc(-c2ccccc2Cl)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183752159 822522395 /nfs/dbraw/zinc/52/23/95/822522395.db2.gz MDBLTJAZZQHYFR-SFHVURJKSA-N 1 1 396.922 4.486 20 0 GIADMO Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454720499 822523122 /nfs/dbraw/zinc/52/31/22/822523122.db2.gz QPQOOOYPDSWOKJ-ZWCUEREDSA-N 1 1 379.504 4.303 20 0 GIADMO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)C(C)C ZINC000179671593 822523996 /nfs/dbraw/zinc/52/39/96/822523996.db2.gz MINYWGNXDURXAZ-NRFANRHFSA-N 1 1 375.472 4.475 20 0 GIADMO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)C(C)C ZINC000179671584 822524002 /nfs/dbraw/zinc/52/40/02/822524002.db2.gz MINYWGNXDURXAZ-OAQYLSRUSA-N 1 1 375.472 4.475 20 0 GIADMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000046865780 822525383 /nfs/dbraw/zinc/52/53/83/822525383.db2.gz XGXGCFXLZRKQMU-CQSZACIVSA-N 1 1 388.414 4.343 20 0 GIADMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000046865780 822525386 /nfs/dbraw/zinc/52/53/86/822525386.db2.gz XGXGCFXLZRKQMU-CQSZACIVSA-N 1 1 388.414 4.343 20 0 GIADMO Cc1csc(CNC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000454743358 822526651 /nfs/dbraw/zinc/52/66/51/822526651.db2.gz UNZMOQCYOHNULX-KDOFPFPSSA-N 1 1 395.931 4.341 20 0 GIADMO CC(C)Oc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(F)(F)F)c1 ZINC000454744215 822526950 /nfs/dbraw/zinc/52/69/50/822526950.db2.gz SCMLUPNWBQMQBS-AGUYFDCRSA-N 1 1 385.430 4.239 20 0 GIADMO CN(C)C(=O)C1CC[NH+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000179685921 822527004 /nfs/dbraw/zinc/52/70/04/822527004.db2.gz FZXMLCRVOUVWBB-UHFFFAOYSA-N 1 1 398.359 4.417 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1 ZINC000454747423 822527307 /nfs/dbraw/zinc/52/73/07/822527307.db2.gz WWKJLGOASBOBHW-CYBMUJFWSA-N 1 1 384.480 4.176 20 0 GIADMO C[C@H]([NH2+]CC(=O)NCCc1nc2ccccc2s1)c1ccc(F)cc1Cl ZINC000183786410 822528065 /nfs/dbraw/zinc/52/80/65/822528065.db2.gz VAYKXNUTHWOIBP-LBPRGKRZSA-N 1 1 391.899 4.098 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2Cl)c1 ZINC000183787894 822528206 /nfs/dbraw/zinc/52/82/06/822528206.db2.gz MTCDELUMLGHQSS-QWHCGFSZSA-N 1 1 394.874 4.024 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1c(F)cccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454763691 822529774 /nfs/dbraw/zinc/52/97/74/822529774.db2.gz HGEQJNMVHVCZJB-FUHWJXTLSA-N 1 1 387.474 4.017 20 0 GIADMO C[C@@H](NC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000454766277 822530136 /nfs/dbraw/zinc/53/01/36/822530136.db2.gz GPIRPVUNPFDWRE-MRXNPFEDSA-N 1 1 393.934 4.047 20 0 GIADMO CC(C)(C)[S@@](=O)CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183818423 822531340 /nfs/dbraw/zinc/53/13/40/822531340.db2.gz DXKQFYMAOMAXLE-ZHRRBRCNSA-N 1 1 384.339 4.268 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)C2)C1 ZINC000454775686 822531773 /nfs/dbraw/zinc/53/17/73/822531773.db2.gz QVMGTQZCSVVGEW-MRXNPFEDSA-N 1 1 375.822 4.308 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)cc1OCc1cccnc1 ZINC000179708249 822532228 /nfs/dbraw/zinc/53/22/28/822532228.db2.gz UXXNVFCVJSYWIV-NRFANRHFSA-N 1 1 377.488 4.345 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](CC(C)(C)C)c2ccc(Cl)cc2)cs1 ZINC000179707878 822532247 /nfs/dbraw/zinc/53/22/47/822532247.db2.gz MGTKNYRCSYJLQU-INIZCTEOSA-N 1 1 379.957 4.352 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC000046980578 822534831 /nfs/dbraw/zinc/53/48/31/822534831.db2.gz CLSNHYBHGHTSPC-QGZVFWFLSA-N 1 1 390.483 4.097 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046996696 822536542 /nfs/dbraw/zinc/53/65/42/822536542.db2.gz FCDKRCDSEGUMDA-JKSUJKDBSA-N 1 1 375.925 4.129 20 0 GIADMO CCc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(C)c(NC(C)=O)c2)cc1 ZINC000183883189 822540203 /nfs/dbraw/zinc/54/02/03/822540203.db2.gz SSGFPWFMOYIGQP-HSZRJFAPSA-N 1 1 381.520 4.001 20 0 GIADMO O=C(c1cccc(Br)c1Cl)N1CCC[N@H+](C2CCCC2)CC1 ZINC000183903723 822543569 /nfs/dbraw/zinc/54/35/69/822543569.db2.gz DMGJRCISTBNWGC-UHFFFAOYSA-N 1 1 385.733 4.193 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000179759116 822544929 /nfs/dbraw/zinc/54/49/29/822544929.db2.gz LHVGRFGMNXPKJN-UHFFFAOYSA-N 1 1 397.450 4.066 20 0 GIADMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[nH]c2c1C(=O)CCC2 ZINC000047109770 822545034 /nfs/dbraw/zinc/54/50/34/822545034.db2.gz ICFCZUXDHQXEGT-INIZCTEOSA-N 1 1 393.531 4.004 20 0 GIADMO Cc1ccc(-c2cc(C[NH2+][C@@H](CO)c3cccc(Br)c3)on2)cc1 ZINC000183914315 822545391 /nfs/dbraw/zinc/54/53/91/822545391.db2.gz UKXOHBKSENNNGM-IBGZPJMESA-N 1 1 387.277 4.236 20 0 GIADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000454850662 822545477 /nfs/dbraw/zinc/54/54/77/822545477.db2.gz BEOFFJSLXYXDFL-QFIPXVFZSA-N 1 1 381.520 4.351 20 0 GIADMO Fc1ccc(-c2cnc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)o2)cc1 ZINC000179762043 822545812 /nfs/dbraw/zinc/54/58/12/822545812.db2.gz VEBQLKKIQQJEIR-JOCHJYFZSA-N 1 1 380.419 4.493 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000179762122 822545852 /nfs/dbraw/zinc/54/58/52/822545852.db2.gz YVLPROWJCNSLIX-LJQANCHMSA-N 1 1 396.531 4.320 20 0 GIADMO C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccccc1N1CCOCC1 ZINC000179762689 822546312 /nfs/dbraw/zinc/54/63/12/822546312.db2.gz IBFLFLJXQRQRBP-UHFFFAOYSA-N 1 1 396.922 4.199 20 0 GIADMO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccccc2)o1 ZINC000179768875 822548768 /nfs/dbraw/zinc/54/87/68/822548768.db2.gz APVCPRNFAVFTDZ-VLIAUNLRSA-N 1 1 377.444 4.310 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)C2)C1 ZINC000454868274 822548722 /nfs/dbraw/zinc/54/87/22/822548722.db2.gz KKOLTLILEXGOBS-NRFANRHFSA-N 1 1 375.488 4.097 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nnc(-c2ccccc2)o1 ZINC000179768857 822548820 /nfs/dbraw/zinc/54/88/20/822548820.db2.gz APVCPRNFAVFTDZ-XOBRGWDASA-N 1 1 377.444 4.310 20 0 GIADMO Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179781096 822551703 /nfs/dbraw/zinc/55/17/03/822551703.db2.gz GHAPFJRRMSJLOB-MRXNPFEDSA-N 1 1 385.309 4.180 20 0 GIADMO CCOCc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC000454892458 822551834 /nfs/dbraw/zinc/55/18/34/822551834.db2.gz UITCDEVMQSDRCR-IBGZPJMESA-N 1 1 381.520 4.209 20 0 GIADMO COC1CCN(c2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C(F)(F)F)CC1 ZINC000179782551 822551928 /nfs/dbraw/zinc/55/19/28/822551928.db2.gz BLIRMBJEUHBUJV-DLBZAZTESA-N 1 1 397.485 4.359 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000183958637 822554009 /nfs/dbraw/zinc/55/40/09/822554009.db2.gz HELXFWMPDAQBEI-LLVKDONJSA-N 1 1 386.348 4.460 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CSc2nc3ccccc3s2)C1 ZINC000047213959 822554897 /nfs/dbraw/zinc/55/48/97/822554897.db2.gz SMYGYGFMPLOIOC-HNNXBMFYSA-N 1 1 377.579 4.017 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000183974984 822556615 /nfs/dbraw/zinc/55/66/15/822556615.db2.gz LFXRKNRWAAAROM-NQIIRXRSSA-N 1 1 393.556 4.279 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000183974984 822556617 /nfs/dbraw/zinc/55/66/17/822556617.db2.gz LFXRKNRWAAAROM-NQIIRXRSSA-N 1 1 393.556 4.279 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCC1(F)F ZINC000454920554 822557056 /nfs/dbraw/zinc/55/70/56/822557056.db2.gz KUPLTTWDODHRRY-ZWKOTPCHSA-N 1 1 379.495 4.022 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1nccs1 ZINC000183982732 822557790 /nfs/dbraw/zinc/55/77/90/822557790.db2.gz JPDBYKNMQLYJCV-RYUDHWBXSA-N 1 1 386.348 4.363 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1nccs1 ZINC000183982732 822557792 /nfs/dbraw/zinc/55/77/92/822557792.db2.gz JPDBYKNMQLYJCV-RYUDHWBXSA-N 1 1 386.348 4.363 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)c1cncnc1C1CC1)C1CCCCC1 ZINC000454941450 822560631 /nfs/dbraw/zinc/56/06/31/822560631.db2.gz IZFURXKOMPOCJF-UHFFFAOYSA-N 1 1 378.520 4.049 20 0 GIADMO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183999154 822560934 /nfs/dbraw/zinc/56/09/34/822560934.db2.gz WWYBZDDIUYHDMH-CQSZACIVSA-N 1 1 385.489 4.210 20 0 GIADMO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183999154 822560937 /nfs/dbraw/zinc/56/09/37/822560937.db2.gz WWYBZDDIUYHDMH-CQSZACIVSA-N 1 1 385.489 4.210 20 0 GIADMO CCOCc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1OC ZINC000179840308 822564130 /nfs/dbraw/zinc/56/41/30/822564130.db2.gz STEYEABHHFWUHG-LJQANCHMSA-N 1 1 382.504 4.082 20 0 GIADMO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000184015229 822564218 /nfs/dbraw/zinc/56/42/18/822564218.db2.gz HNGOSWHOCUSIPF-INIZCTEOSA-N 1 1 382.895 4.491 20 0 GIADMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000184015229 822564220 /nfs/dbraw/zinc/56/42/20/822564220.db2.gz HNGOSWHOCUSIPF-INIZCTEOSA-N 1 1 382.895 4.491 20 0 GIADMO O=C(Nc1c(F)cccc1F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047335633 822567951 /nfs/dbraw/zinc/56/79/51/822567951.db2.gz NCNSHRDIOOIWQJ-UHFFFAOYSA-N 1 1 381.373 4.029 20 0 GIADMO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1F ZINC000047336967 822568247 /nfs/dbraw/zinc/56/82/47/822568247.db2.gz FHSJWKIYFKMCTP-UHFFFAOYSA-N 1 1 377.410 4.198 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(C(F)F)cc2)cc1F ZINC000184047595 822570387 /nfs/dbraw/zinc/57/03/87/822570387.db2.gz DUCGRCKKPJVWPK-UHFFFAOYSA-N 1 1 388.393 4.257 20 0 GIADMO CCN(CC)c1ncc(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)s1 ZINC000179880648 822570772 /nfs/dbraw/zinc/57/07/72/822570772.db2.gz YAXRHNJBUJQCGM-UHFFFAOYSA-N 1 1 387.549 4.093 20 0 GIADMO Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179908003 822574993 /nfs/dbraw/zinc/57/49/93/822574993.db2.gz LKHKRULJARKZQB-GHTZIAJQSA-N 1 1 394.906 4.009 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ncccc2C(F)(F)F)C1 ZINC000179910313 822575201 /nfs/dbraw/zinc/57/52/01/822575201.db2.gz WUKBMBOGNWAZCK-HNNXBMFYSA-N 1 1 391.437 4.262 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184119246 822581203 /nfs/dbraw/zinc/58/12/03/822581203.db2.gz IECRLNUOYQOVPL-QUCCMNQESA-N 1 1 389.902 4.147 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184119246 822581205 /nfs/dbraw/zinc/58/12/05/822581205.db2.gz IECRLNUOYQOVPL-QUCCMNQESA-N 1 1 389.902 4.147 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)n1 ZINC000179941032 822581457 /nfs/dbraw/zinc/58/14/57/822581457.db2.gz SHUGSSWFEGPMAJ-AWEZNQCLSA-N 1 1 387.281 4.068 20 0 GIADMO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179942617 822582065 /nfs/dbraw/zinc/58/20/65/822582065.db2.gz PVEDJPLTUKQKHP-CQSZACIVSA-N 1 1 396.350 4.354 20 0 GIADMO Cc1cc(Br)ccc1C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179942617 822582067 /nfs/dbraw/zinc/58/20/67/822582067.db2.gz PVEDJPLTUKQKHP-CQSZACIVSA-N 1 1 396.350 4.354 20 0 GIADMO Cn1cc([C@@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)c2cccc(F)c2)cn1 ZINC000179960877 822586087 /nfs/dbraw/zinc/58/60/87/822586087.db2.gz ZZTFMCQFYDUIAO-PKTZIBPZSA-N 1 1 378.495 4.075 20 0 GIADMO Cn1cc([C@H]([NH2+]C[C@H](c2ccccc2)N2CCCC2)c2cccc(F)c2)cn1 ZINC000179960861 822586095 /nfs/dbraw/zinc/58/60/95/822586095.db2.gz ZZTFMCQFYDUIAO-DHIUTWEWSA-N 1 1 378.495 4.075 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccccc2F)on1 ZINC000047526433 822587422 /nfs/dbraw/zinc/58/74/22/822587422.db2.gz UOZGCGIGAZTRAT-GOSISDBHSA-N 1 1 383.423 4.031 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2ccc(Br)c3cccnc23)cc1O ZINC000179974015 822588570 /nfs/dbraw/zinc/58/85/70/822588570.db2.gz SBNKHTMQJOEOHH-UHFFFAOYSA-N 1 1 387.277 4.344 20 0 GIADMO C[C@@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1Cl ZINC000455107017 822589887 /nfs/dbraw/zinc/58/98/87/822589887.db2.gz FEHBIHPEDKMBBH-BIENJYKASA-N 1 1 379.907 4.198 20 0 GIADMO Cc1cccc(C)c1NC(=S)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047567389 822591447 /nfs/dbraw/zinc/59/14/47/822591447.db2.gz LIIVCWUGINLLJK-KDURUIRLSA-N 1 1 397.588 4.399 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-c2nc[nH]n2)cc1)C1CCCCC1 ZINC000184193269 822594025 /nfs/dbraw/zinc/59/40/25/822594025.db2.gz PXQDXSZQFNLBDC-UHFFFAOYSA-N 1 1 389.503 4.489 20 0 GIADMO C[N@H+](Cc1ccccc1NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCCC1 ZINC000184193269 822594028 /nfs/dbraw/zinc/59/40/28/822594028.db2.gz PXQDXSZQFNLBDC-UHFFFAOYSA-N 1 1 389.503 4.489 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCCC1 ZINC000184193269 822594030 /nfs/dbraw/zinc/59/40/30/822594030.db2.gz PXQDXSZQFNLBDC-UHFFFAOYSA-N 1 1 389.503 4.489 20 0 GIADMO COc1cc2c(cc1C[NH2+][C@@H](C)c1nc3ccc(Cl)cc3n1C)O[C@H](C)C2 ZINC000180005528 822594327 /nfs/dbraw/zinc/59/43/27/822594327.db2.gz JMSALIOILDNNOF-OLZOCXBDSA-N 1 1 385.895 4.410 20 0 GIADMO COc1cc2c(cc1C[NH2+][C@H](C)c1nc3ccc(Cl)cc3n1C)O[C@@H](C)C2 ZINC000180005571 822594379 /nfs/dbraw/zinc/59/43/79/822594379.db2.gz JMSALIOILDNNOF-QWHCGFSZSA-N 1 1 385.895 4.410 20 0 GIADMO CCc1nn(C)cc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000180014276 822596805 /nfs/dbraw/zinc/59/68/05/822596805.db2.gz QFNUQYFQCKDMBZ-HNNXBMFYSA-N 1 1 385.899 4.066 20 0 GIADMO C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180017381 822597510 /nfs/dbraw/zinc/59/75/10/822597510.db2.gz WWGKRKYRIHKPDY-LLVKDONJSA-N 1 1 398.816 4.414 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1scnc1C1CCCC1)[NH+]1CCCC1 ZINC000184220382 822598214 /nfs/dbraw/zinc/59/82/14/822598214.db2.gz XBXZYOVHDOVQOR-GOSISDBHSA-N 1 1 399.560 4.376 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000047676771 822599385 /nfs/dbraw/zinc/59/93/85/822599385.db2.gz VVSDQBQDFQMRLH-UHFFFAOYSA-N 1 1 379.304 4.049 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)c(OC)c1OC ZINC000180027316 822600081 /nfs/dbraw/zinc/60/00/81/822600081.db2.gz KYKBUWYMGZWSNG-LBPRGKRZSA-N 1 1 389.883 4.103 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2cccc(Br)c2Cl)[C@@H]1c1ccccc1 ZINC000180056627 822605640 /nfs/dbraw/zinc/60/56/40/822605640.db2.gz PMNYDWMQSZSWLD-RDJZCZTQSA-N 1 1 393.712 4.278 20 0 GIADMO CCS(=O)(=O)Nc1ccc([C@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000180060404 822606434 /nfs/dbraw/zinc/60/64/34/822606434.db2.gz DBLXUCLLAZPJOZ-AWEZNQCLSA-N 1 1 398.532 4.385 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c3nc(C)cs3)ccc2c1 ZINC000184274482 822607144 /nfs/dbraw/zinc/60/71/44/822607144.db2.gz OXUHJVJKCLJFCW-HZPDHXFCSA-N 1 1 397.544 4.311 20 0 GIADMO Fc1ccc(C([NH2+]Cc2cccnc2-n2cccn2)c2ccc(F)cc2)cc1 ZINC000180084508 822612022 /nfs/dbraw/zinc/61/20/22/822612022.db2.gz SGQTXAAEBLNXSC-UHFFFAOYSA-N 1 1 376.410 4.425 20 0 GIADMO COc1cc2nc(C[NH2+][C@H](c3ccccc3C)C(C)(C)C)[nH]c(=O)c2cc1OC ZINC000180085792 822612211 /nfs/dbraw/zinc/61/22/11/822612211.db2.gz CARXPLJWJSGTCJ-OAQYLSRUSA-N 1 1 395.503 4.126 20 0 GIADMO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)c1 ZINC000184318457 822613849 /nfs/dbraw/zinc/61/38/49/822613849.db2.gz ZPPKQCLYWKQCIU-OLZOCXBDSA-N 1 1 377.282 4.336 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@H](c3cccc4ccccc43)C(F)(F)F)C2)C1 ZINC000455240846 822615619 /nfs/dbraw/zinc/61/56/19/822615619.db2.gz RTGPPPXIMAGPHM-UYAOXDASSA-N 1 1 391.437 4.180 20 0 GIADMO CCc1ccc(C(C)(C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000180105482 822616038 /nfs/dbraw/zinc/61/60/38/822616038.db2.gz PMFYVVBQLVFFTL-UHFFFAOYSA-N 1 1 379.529 4.496 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccn1 ZINC000047887836 822616474 /nfs/dbraw/zinc/61/64/74/822616474.db2.gz VIBGDRSMUUJKEE-OTWHNJEPSA-N 1 1 380.536 4.120 20 0 GIADMO O=C(CCc1ccc2[nH]ccc2c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180108910 822617087 /nfs/dbraw/zinc/61/70/87/822617087.db2.gz KZCUBDCOQVKXLA-GOSISDBHSA-N 1 1 381.545 4.190 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1nc2ccccc2n1C ZINC000180132875 822622566 /nfs/dbraw/zinc/62/25/66/822622566.db2.gz LSIFWDDUHLCKJW-WMLDXEAASA-N 1 1 382.895 4.073 20 0 GIADMO CCCC(=O)Nc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000180136623 822624015 /nfs/dbraw/zinc/62/40/15/822624015.db2.gz DMMRDQOUNLGZLC-QFIPXVFZSA-N 1 1 380.467 4.177 20 0 GIADMO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000180145103 822625949 /nfs/dbraw/zinc/62/59/49/822625949.db2.gz CVGQBNFXQYWAHC-LRDDRELGSA-N 1 1 399.869 4.422 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)c1nnc2n1CCCCC2 ZINC000048040461 822626176 /nfs/dbraw/zinc/62/61/76/822626176.db2.gz JBOYDOPAJKPDKB-SFHVURJKSA-N 1 1 376.504 4.434 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2NC(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000180147122 822626542 /nfs/dbraw/zinc/62/65/42/822626542.db2.gz XJYRQSYGCXMUJD-PKTZIBPZSA-N 1 1 399.494 4.114 20 0 GIADMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048050360 822626872 /nfs/dbraw/zinc/62/68/72/822626872.db2.gz DLTIAXOVCJAIRK-UHFFFAOYSA-N 1 1 377.410 4.492 20 0 GIADMO CSc1c(F)cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000184396715 822628106 /nfs/dbraw/zinc/62/81/06/822628106.db2.gz FMRQVRJIMRYTQI-YVEFUNNKSA-N 1 1 381.492 4.167 20 0 GIADMO Fc1ccc(Br)c(CNC2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000180159178 822629407 /nfs/dbraw/zinc/62/94/07/822629407.db2.gz UKYLRRYCEWEFFM-UHFFFAOYSA-N 1 1 383.227 4.095 20 0 GIADMO CCCCOc1ccc(OC)cc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000048075527 822629662 /nfs/dbraw/zinc/62/96/62/822629662.db2.gz BWFMBFPDDXKZHE-UHFFFAOYSA-N 1 1 391.556 4.458 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180162755 822630179 /nfs/dbraw/zinc/63/01/79/822630179.db2.gz QRSXYZNGLXPQRE-VTHDOGFWSA-N 1 1 379.552 4.022 20 0 GIADMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3sccc3Br)CC2)cc1 ZINC000048092459 822630974 /nfs/dbraw/zinc/63/09/74/822630974.db2.gz UKQQDLALQZWOBU-UHFFFAOYSA-N 1 1 393.350 4.167 20 0 GIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3sccc3Br)CC2)cc1 ZINC000048092459 822630976 /nfs/dbraw/zinc/63/09/76/822630976.db2.gz UKQQDLALQZWOBU-UHFFFAOYSA-N 1 1 393.350 4.167 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N(C)C)c1C ZINC000180166845 822631043 /nfs/dbraw/zinc/63/10/43/822631043.db2.gz HHRREABDBNIHLM-OAQYLSRUSA-N 1 1 394.563 4.437 20 0 GIADMO COc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC1CCCC1 ZINC000184427847 822633175 /nfs/dbraw/zinc/63/31/75/822633175.db2.gz HFLOPUYDOGXRQI-WIYYLYMNSA-N 1 1 398.547 4.106 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000184452932 822637855 /nfs/dbraw/zinc/63/78/55/822637855.db2.gz SHCXQHTYGGKBEY-QGZVFWFLSA-N 1 1 378.538 4.014 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c(C)c1 ZINC000048143493 822638652 /nfs/dbraw/zinc/63/86/52/822638652.db2.gz OHJOAPKLECXNMC-UHFFFAOYSA-N 1 1 381.520 4.442 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000455405168 822647618 /nfs/dbraw/zinc/64/76/18/822647618.db2.gz GRYIKRHUMIZFLF-NZSAHSFTSA-N 1 1 379.495 4.022 20 0 GIADMO C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000455405166 822647681 /nfs/dbraw/zinc/64/76/81/822647681.db2.gz GRYIKRHUMIZFLF-BHIYHBOVSA-N 1 1 379.495 4.022 20 0 GIADMO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2nc3c(s2)CCCC3)c2ccc(F)cc2C1 ZINC000184510274 822648021 /nfs/dbraw/zinc/64/80/21/822648021.db2.gz DJTCIXCFSMZCBP-ACJLOTCBSA-N 1 1 387.524 4.305 20 0 GIADMO CSc1ccc([C@@H](CNC(=O)Nc2ccc(F)c(C(C)=O)c2)[NH+](C)C)cc1 ZINC000455413651 822649303 /nfs/dbraw/zinc/64/93/03/822649303.db2.gz DEZQOJBZLWEHTB-LJQANCHMSA-N 1 1 389.496 4.175 20 0 GIADMO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000048257271 822649506 /nfs/dbraw/zinc/64/95/06/822649506.db2.gz ZBRUGOSCKWGSNF-UHFFFAOYSA-N 1 1 394.519 4.002 20 0 GIADMO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1F ZINC000184520544 822649985 /nfs/dbraw/zinc/64/99/85/822649985.db2.gz UYICNSUIQNZPBV-OAHLLOKOSA-N 1 1 383.492 4.225 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000048271753 822650487 /nfs/dbraw/zinc/65/04/87/822650487.db2.gz IWZSVWYRUKJJSD-IBGZPJMESA-N 1 1 388.899 4.031 20 0 GIADMO C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1nc(-c2ccccc2)cs1 ZINC000184528095 822651501 /nfs/dbraw/zinc/65/15/01/822651501.db2.gz PUEIEHRVJHWMHR-CQSZACIVSA-N 1 1 385.920 4.431 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cn3ccc(-c4ccccc4)n3)CC2)n1 ZINC000180273802 822652398 /nfs/dbraw/zinc/65/23/98/822652398.db2.gz HFFUODXKROFPRY-UHFFFAOYSA-N 1 1 375.398 4.060 20 0 GIADMO COC[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)c1ccc(C)o1 ZINC000180274700 822652520 /nfs/dbraw/zinc/65/25/20/822652520.db2.gz LANJZGRNCQMNNX-MRXNPFEDSA-N 1 1 375.266 4.376 20 0 GIADMO CCc1nc2ccccc2n1C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000180277611 822653324 /nfs/dbraw/zinc/65/33/24/822653324.db2.gz HSRJMFJVDFWTTF-UHFFFAOYSA-N 1 1 393.535 4.172 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)C1 ZINC000180284004 822655135 /nfs/dbraw/zinc/65/51/35/822655135.db2.gz YSDUPZOARHBAKA-LJQANCHMSA-N 1 1 391.519 4.034 20 0 GIADMO CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000180287142 822655782 /nfs/dbraw/zinc/65/57/82/822655782.db2.gz IOGZRTYZWADIDM-CVEARBPZSA-N 1 1 378.476 4.327 20 0 GIADMO CC(=O)Nc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)ccc1C ZINC000048361064 822656153 /nfs/dbraw/zinc/65/61/53/822656153.db2.gz GHTFTUGTMSNVKD-UHFFFAOYSA-N 1 1 394.519 4.002 20 0 GIADMO COc1ccccc1COc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC2)c1C ZINC000184574261 822659860 /nfs/dbraw/zinc/65/98/60/822659860.db2.gz NZPLTAPAAUHUIE-UHFFFAOYSA-N 1 1 397.519 4.141 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](c3cnn(C)c3)c3ccc(F)cc3)cc2)n1 ZINC000184581980 822661129 /nfs/dbraw/zinc/66/11/29/822661129.db2.gz OBGGUICZWZAGLL-HSZRJFAPSA-N 1 1 389.478 4.241 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455477049 822662001 /nfs/dbraw/zinc/66/20/01/822662001.db2.gz PJQGDGXDIREGKY-BPIHKTFHSA-N 1 1 398.576 4.446 20 0 GIADMO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000455479132 822662485 /nfs/dbraw/zinc/66/24/85/822662485.db2.gz RQYSIIRVMJJKBX-JDXMOABCSA-N 1 1 381.495 4.478 20 0 GIADMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455483344 822663214 /nfs/dbraw/zinc/66/32/14/822663214.db2.gz XLMRIRXNRRRLKO-SJQSHANBSA-N 1 1 395.469 4.423 20 0 GIADMO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455484556 822663516 /nfs/dbraw/zinc/66/35/16/822663516.db2.gz ZHVXCKDVLXGBMZ-RJPYNODJSA-N 1 1 382.335 4.247 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000048459572 822663979 /nfs/dbraw/zinc/66/39/79/822663979.db2.gz VIFPZHUQYUXFAH-UHFFFAOYSA-N 1 1 385.483 4.353 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000048459572 822663983 /nfs/dbraw/zinc/66/39/83/822663983.db2.gz VIFPZHUQYUXFAH-UHFFFAOYSA-N 1 1 385.483 4.353 20 0 GIADMO Cc1c(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455487509 822664157 /nfs/dbraw/zinc/66/41/57/822664157.db2.gz JMXUKROKVVYXQI-INIZCTEOSA-N 1 1 378.476 4.292 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000455513574 822669011 /nfs/dbraw/zinc/66/90/11/822669011.db2.gz JAKSVWOMEVZVGC-QHCPKHFHSA-N 1 1 378.520 4.137 20 0 GIADMO Cc1c(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cccc1-c1ncco1 ZINC000455523277 822670347 /nfs/dbraw/zinc/67/03/47/822670347.db2.gz ZEVJHDHQENWPNV-UHFFFAOYSA-N 1 1 390.487 4.220 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1scnc1C1CCCC1 ZINC000184692037 822677663 /nfs/dbraw/zinc/67/76/63/822677663.db2.gz MXQIJJMJIAKCGI-SFHVURJKSA-N 1 1 383.561 4.095 20 0 GIADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1nnc(-c2ccccc2Cl)o1 ZINC000180418199 822678233 /nfs/dbraw/zinc/67/82/33/822678233.db2.gz SXWRJNJZHMCRLD-UHFFFAOYSA-N 1 1 384.911 4.390 20 0 GIADMO COc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(OC)c1C ZINC000455583734 822678573 /nfs/dbraw/zinc/67/85/73/822678573.db2.gz ZWBBDSFGVOQJCL-WMZOPIPTSA-N 1 1 389.540 4.131 20 0 GIADMO COc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1OC(F)F ZINC000048776507 822682209 /nfs/dbraw/zinc/68/22/09/822682209.db2.gz QHHFUELKCKHOGN-UHFFFAOYSA-N 1 1 399.441 4.261 20 0 GIADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000455601835 822682341 /nfs/dbraw/zinc/68/23/41/822682341.db2.gz RDEOVBQPABHXQR-QHAWAJNXSA-N 1 1 383.923 4.009 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000455601835 822682343 /nfs/dbraw/zinc/68/23/43/822682343.db2.gz RDEOVBQPABHXQR-QHAWAJNXSA-N 1 1 383.923 4.009 20 0 GIADMO COc1cccc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)c1 ZINC000048786266 822683341 /nfs/dbraw/zinc/68/33/41/822683341.db2.gz IURIIJQAMNLLMS-LBPRGKRZSA-N 1 1 378.266 4.080 20 0 GIADMO C[C@H](c1ccccc1Br)N(C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455620997 822685476 /nfs/dbraw/zinc/68/54/76/822685476.db2.gz SUHMYMJWWMDVFA-CQSZACIVSA-N 1 1 382.346 4.026 20 0 GIADMO Cc1nn(C)c(C)c1CCCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000180488999 822690223 /nfs/dbraw/zinc/69/02/23/822690223.db2.gz AGUQUMMDAWMNLG-UHFFFAOYSA-N 1 1 392.507 4.084 20 0 GIADMO O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1)c1cccs1 ZINC000180507708 822693281 /nfs/dbraw/zinc/69/32/81/822693281.db2.gz AVXXMOQEUPFDML-IEBWSBKVSA-N 1 1 381.501 4.419 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1)c1cccs1 ZINC000180507726 822693321 /nfs/dbraw/zinc/69/33/21/822693321.db2.gz AVXXMOQEUPFDML-MJGOQNOKSA-N 1 1 381.501 4.419 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)c(Br)cc2C)C1 ZINC000184825007 822696006 /nfs/dbraw/zinc/69/60/06/822696006.db2.gz CTFSWPTZOTUXSH-CYBMUJFWSA-N 1 1 386.309 4.092 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3c(C)n[nH]c3C)cs2)cc1 ZINC000180525233 822696291 /nfs/dbraw/zinc/69/62/91/822696291.db2.gz LITAGAAEQIFQAE-GOSISDBHSA-N 1 1 396.516 4.274 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3c(C)n[nH]c3C)cs2)cc1 ZINC000180525233 822696293 /nfs/dbraw/zinc/69/62/93/822696293.db2.gz LITAGAAEQIFQAE-GOSISDBHSA-N 1 1 396.516 4.274 20 0 GIADMO Clc1ccccc1COc1cccc(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000180528985 822696722 /nfs/dbraw/zinc/69/67/22/822696722.db2.gz VBNKGPWSWKNXNS-UHFFFAOYSA-N 1 1 387.907 4.300 20 0 GIADMO Clc1ccccc1COc1cccc(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000180528985 822696724 /nfs/dbraw/zinc/69/67/24/822696724.db2.gz VBNKGPWSWKNXNS-UHFFFAOYSA-N 1 1 387.907 4.300 20 0 GIADMO CC(C)c1cccc(-c2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000180531434 822697399 /nfs/dbraw/zinc/69/73/99/822697399.db2.gz AABDTSXUUOSXAK-IBGZPJMESA-N 1 1 396.531 4.254 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000184839033 822698196 /nfs/dbraw/zinc/69/81/96/822698196.db2.gz LTCBQTDJROSSMY-SFHVURJKSA-N 1 1 392.421 4.087 20 0 GIADMO CN(C)C1(C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCOCC1 ZINC000180543750 822699470 /nfs/dbraw/zinc/69/94/70/822699470.db2.gz PSNUARPZKLFUSY-FQEVSTJZSA-N 1 1 390.474 4.078 20 0 GIADMO Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184850219 822700055 /nfs/dbraw/zinc/70/00/55/822700055.db2.gz QHSWNBZFYFZCCC-FQEVSTJZSA-N 1 1 395.503 4.058 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H]1CCOc2ccccc21 ZINC000180548014 822700283 /nfs/dbraw/zinc/70/02/83/822700283.db2.gz ZZLQGTWEFUQOEE-IRXDYDNUSA-N 1 1 396.384 4.049 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)NCc1ccc(Cl)s1 ZINC000180556992 822701863 /nfs/dbraw/zinc/70/18/63/822701863.db2.gz GCCFQWOGDUCROD-ZDUSSCGKSA-N 1 1 394.821 4.440 20 0 GIADMO COc1ccc(CC[NH2+][C@H](c2nccn2C)c2ccccc2Cl)cc1OC ZINC000180559581 822702514 /nfs/dbraw/zinc/70/25/14/822702514.db2.gz GRGZFEUFMBMWPR-FQEVSTJZSA-N 1 1 385.895 4.012 20 0 GIADMO Cc1nc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(-c2ccccc2)o1 ZINC000184863188 822702561 /nfs/dbraw/zinc/70/25/61/822702561.db2.gz JLHLEDUSEWLVJH-PKOBYXMFSA-N 1 1 381.520 4.377 20 0 GIADMO FC(F)CN1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000180570084 822704247 /nfs/dbraw/zinc/70/42/47/822704247.db2.gz SKUXOJSGISMNNC-UHFFFAOYSA-N 1 1 380.401 4.137 20 0 GIADMO CC(C)(C)c1cc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)on1 ZINC000180569458 822704288 /nfs/dbraw/zinc/70/42/88/822704288.db2.gz FIDVUXLQPDQEGY-ZDUSSCGKSA-N 1 1 387.377 4.333 20 0 GIADMO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180572773 822704749 /nfs/dbraw/zinc/70/47/49/822704749.db2.gz VXGVAGUDDNPBOC-CXAGYDPISA-N 1 1 398.400 4.295 20 0 GIADMO CC(=O)Nc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000180583256 822706064 /nfs/dbraw/zinc/70/60/64/822706064.db2.gz BYNYRUMMBSRMDB-JOCHJYFZSA-N 1 1 380.513 4.442 20 0 GIADMO C[C@H]([NH2+]Cc1ncc(Cl)n1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180601228 822709097 /nfs/dbraw/zinc/70/90/97/822709097.db2.gz XNBORIQPCWIOGC-ZDUSSCGKSA-N 1 1 386.858 4.316 20 0 GIADMO COc1sc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1Br ZINC000180602056 822709336 /nfs/dbraw/zinc/70/93/36/822709336.db2.gz QGSUXXZWCBTJPL-FZMZJTMJSA-N 1 1 386.311 4.200 20 0 GIADMO COc1sc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1Br ZINC000180602056 822709338 /nfs/dbraw/zinc/70/93/38/822709338.db2.gz QGSUXXZWCBTJPL-FZMZJTMJSA-N 1 1 386.311 4.200 20 0 GIADMO CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000184910744 822711784 /nfs/dbraw/zinc/71/17/84/822711784.db2.gz MUWAPZIBJPIXTL-PXNSSMCTSA-N 1 1 376.566 4.159 20 0 GIADMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000180611731 822712097 /nfs/dbraw/zinc/71/20/97/822712097.db2.gz VUPBHDNLYXCUPG-LHSJRXKWSA-N 1 1 385.462 4.047 20 0 GIADMO C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H]1n1ccnc1 ZINC000180612725 822712476 /nfs/dbraw/zinc/71/24/76/822712476.db2.gz IGEKUHHCZKCPMY-XXBNENTESA-N 1 1 398.514 4.214 20 0 GIADMO C[C@@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000455720745 822713277 /nfs/dbraw/zinc/71/32/77/822713277.db2.gz VGTUZHNWJBOBCK-KRWDZBQOSA-N 1 1 383.540 4.110 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000050009631 822714012 /nfs/dbraw/zinc/71/40/12/822714012.db2.gz JIKAIDCTUARHPJ-UHFFFAOYSA-N 1 1 385.577 4.235 20 0 GIADMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050032886 822715218 /nfs/dbraw/zinc/71/52/18/822715218.db2.gz PQWKAUZGAZJOSZ-FQEVSTJZSA-N 1 1 391.515 4.194 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc(F)c(F)c1F ZINC000050035798 822715459 /nfs/dbraw/zinc/71/54/59/822715459.db2.gz QMHZZAAVHVFRLZ-GFCCVEGCSA-N 1 1 383.439 4.199 20 0 GIADMO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1Cl ZINC000050049971 822715914 /nfs/dbraw/zinc/71/59/14/822715914.db2.gz VALIIHRZHCVVKZ-CQSZACIVSA-N 1 1 393.940 4.444 20 0 GIADMO Cc1cc(N(C)C)ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050055592 822716322 /nfs/dbraw/zinc/71/63/22/822716322.db2.gz MCRNJKSUAMHIHD-QGZVFWFLSA-N 1 1 386.565 4.156 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Cc1ccccc1Oc1ccc(C)cc1 ZINC000455736222 822717191 /nfs/dbraw/zinc/71/71/91/822717191.db2.gz CWKVQFQJTSIENV-UHFFFAOYSA-N 1 1 377.488 4.431 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)CCC3=O)CC1)CC1CC1 ZINC000455736684 822717262 /nfs/dbraw/zinc/71/72/62/822717262.db2.gz PKRYETJEQHRAOL-UHFFFAOYSA-N 1 1 383.536 4.181 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cn2nc(C3CC3)n(C3CC3)c2=S)CC1 ZINC000184954558 822717840 /nfs/dbraw/zinc/71/78/40/822717840.db2.gz PIUVGTSVCHNYNE-AWEZNQCLSA-N 1 1 389.594 4.024 20 0 GIADMO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(F)c3)c2C1 ZINC000184961493 822718863 /nfs/dbraw/zinc/71/88/63/822718863.db2.gz AZXIDEBIQLTQKO-OAHLLOKOSA-N 1 1 376.497 4.128 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(F)c3)c2C1 ZINC000184961493 822718866 /nfs/dbraw/zinc/71/88/66/822718866.db2.gz AZXIDEBIQLTQKO-OAHLLOKOSA-N 1 1 376.497 4.128 20 0 GIADMO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1nc2ccccc2c(=O)n1C ZINC000184963685 822719129 /nfs/dbraw/zinc/71/91/29/822719129.db2.gz WKSHKGURSDQECE-HXUWFJFHSA-N 1 1 389.524 4.377 20 0 GIADMO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1csc(CC(=O)N(C)C)n1 ZINC000184966026 822719521 /nfs/dbraw/zinc/71/95/21/822719521.db2.gz LBDVFYNAIJXOMR-GOSISDBHSA-N 1 1 399.585 4.217 20 0 GIADMO CC(C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000455795469 822728086 /nfs/dbraw/zinc/72/80/86/822728086.db2.gz MHSJXKNUYOLUBI-IBGZPJMESA-N 1 1 379.504 4.169 20 0 GIADMO CC(F)(F)c1ccccc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000455808475 822730166 /nfs/dbraw/zinc/73/01/66/822730166.db2.gz NMZKLRDPDLLMSR-GOSISDBHSA-N 1 1 387.474 4.484 20 0 GIADMO CCCn1ncc(NC(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000455828937 822733150 /nfs/dbraw/zinc/73/31/50/822733150.db2.gz MCGKZCUHIVETPJ-HXUWFJFHSA-N 1 1 395.551 4.129 20 0 GIADMO CCCn1ncc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)c1C1CC1 ZINC000455838851 822734808 /nfs/dbraw/zinc/73/48/08/822734808.db2.gz WMEFMCUBBLAFQK-INIZCTEOSA-N 1 1 375.561 4.193 20 0 GIADMO CCCn1ncc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C1CC1 ZINC000455838915 822734972 /nfs/dbraw/zinc/73/49/72/822734972.db2.gz WOPPBKWSBSTYHX-GOSISDBHSA-N 1 1 389.931 4.248 20 0 GIADMO Cc1ccc(C[C@H]2CCC[N@H+](Cn3c(=S)nc4nc(C)cc(C)n43)C2)cc1 ZINC000050923201 822742710 /nfs/dbraw/zinc/74/27/10/822742710.db2.gz LZJJCGIIGIWVBI-LJQANCHMSA-N 1 1 381.549 4.098 20 0 GIADMO Cc1ccc(C[C@H]2CCC[N@@H+](Cn3c(=S)nc4nc(C)cc(C)n43)C2)cc1 ZINC000050923201 822742712 /nfs/dbraw/zinc/74/27/12/822742712.db2.gz LZJJCGIIGIWVBI-LJQANCHMSA-N 1 1 381.549 4.098 20 0 GIADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000051050922 822745155 /nfs/dbraw/zinc/74/51/55/822745155.db2.gz XDUXXOJZUHQWRH-HOCLYGCPSA-N 1 1 375.538 4.228 20 0 GIADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000051050922 822745158 /nfs/dbraw/zinc/74/51/58/822745158.db2.gz XDUXXOJZUHQWRH-HOCLYGCPSA-N 1 1 375.538 4.228 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000051056888 822745163 /nfs/dbraw/zinc/74/51/63/822745163.db2.gz HRSZMLVAFVNEGM-HUUCEWRRSA-N 1 1 377.579 4.388 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000051056888 822745165 /nfs/dbraw/zinc/74/51/65/822745165.db2.gz HRSZMLVAFVNEGM-HUUCEWRRSA-N 1 1 377.579 4.388 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051060757 822745621 /nfs/dbraw/zinc/74/56/21/822745621.db2.gz IBJDCNPMUVWISZ-RBUKOAKNSA-N 1 1 387.568 4.074 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132870 822747345 /nfs/dbraw/zinc/74/73/45/822747345.db2.gz KYLLXJSZTAHSLY-GREBRCKQSA-N 1 1 396.531 4.430 20 0 GIADMO C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132982 822747528 /nfs/dbraw/zinc/74/75/28/822747528.db2.gz FYUNOIPRBJOMOT-DYESRHJHSA-N 1 1 385.508 4.010 20 0 GIADMO Cc1c(O)ccc2c(C[N@@H+](C)C[C@H]3CCCO[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000051133220 822747555 /nfs/dbraw/zinc/74/75/55/822747555.db2.gz IEVQQTJQNYJUOU-HOYKHHGWSA-N 1 1 393.483 4.407 20 0 GIADMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133092 822747603 /nfs/dbraw/zinc/74/76/03/822747603.db2.gz LGVWORAKPZCUNQ-XUZZJYLKSA-N 1 1 398.522 4.274 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133460 822747748 /nfs/dbraw/zinc/74/77/48/822747748.db2.gz LPNVHEFKFWWPRX-AUSIDOKSSA-N 1 1 382.504 4.042 20 0 GIADMO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000051133715 822747760 /nfs/dbraw/zinc/74/77/60/822747760.db2.gz JHGNUWWKBJVTMU-JWNTYJGQSA-N 1 1 394.515 4.316 20 0 GIADMO CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000051133715 822747761 /nfs/dbraw/zinc/74/77/61/822747761.db2.gz JHGNUWWKBJVTMU-JWNTYJGQSA-N 1 1 394.515 4.316 20 0 GIADMO Fc1ccc([C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c2ccccc2)cc1 ZINC000185277973 822758548 /nfs/dbraw/zinc/75/85/48/822758548.db2.gz IAIIDMKCSRXOPK-QFIPXVFZSA-N 1 1 395.453 4.076 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)s1 ZINC000185279350 822758715 /nfs/dbraw/zinc/75/87/15/822758715.db2.gz BGTSVQFZXXRSIT-KXBFYZLASA-N 1 1 384.549 4.120 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455977371 822760543 /nfs/dbraw/zinc/76/05/43/822760543.db2.gz YHKMLJNGBKYYKP-UHFFFAOYSA-N 1 1 385.693 4.161 20 0 GIADMO COCc1cccc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)c1 ZINC000174285618 822763123 /nfs/dbraw/zinc/76/31/23/822763123.db2.gz OQCQKDDKWGMJJV-CYBMUJFWSA-N 1 1 392.293 4.218 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000185314424 822764244 /nfs/dbraw/zinc/76/42/44/822764244.db2.gz AANCSONZCFRRHO-QGZVFWFLSA-N 1 1 383.442 4.267 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1sccc1Br)C1CC1 ZINC000185322046 822765759 /nfs/dbraw/zinc/76/57/59/822765759.db2.gz AMJBDFHTEDMBAT-MRXNPFEDSA-N 1 1 393.350 4.151 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456017312 822766985 /nfs/dbraw/zinc/76/69/85/822766985.db2.gz QFXTZPRFYWAQCP-GGAORHGYSA-N 1 1 389.543 4.394 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC[N@H+]1C ZINC000174302327 822767446 /nfs/dbraw/zinc/76/74/46/822767446.db2.gz OBRLIFQOIOBTQM-QRWLVFNGSA-N 1 1 387.474 4.178 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)s1 ZINC000185334192 822767631 /nfs/dbraw/zinc/76/76/31/822767631.db2.gz YJTUSJDHDMUBBH-RDJZCZTQSA-N 1 1 375.925 4.341 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCc2ccccc21 ZINC000174313076 822769521 /nfs/dbraw/zinc/76/95/21/822769521.db2.gz KEUVQXXZJZKSGX-UHFFFAOYSA-N 1 1 375.472 4.184 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCc2ccccc21 ZINC000174313076 822769523 /nfs/dbraw/zinc/76/95/23/822769523.db2.gz KEUVQXXZJZKSGX-UHFFFAOYSA-N 1 1 375.472 4.184 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[NH2+][C@H](c2ncc(C)s2)C2CC2)C(C)C)cc1 ZINC000185351665 822769758 /nfs/dbraw/zinc/76/97/58/822769758.db2.gz RALCCLNGCWERQI-PMACEKPBSA-N 1 1 387.549 4.014 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C2CC2)n1 ZINC000456045184 822770461 /nfs/dbraw/zinc/77/04/61/822770461.db2.gz FMCPWTDUNCUNKA-XMMPIXPASA-N 1 1 375.516 4.006 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Br)cc2)C2CC2)s1 ZINC000185359359 822771066 /nfs/dbraw/zinc/77/10/66/822771066.db2.gz VIQYNACLAPSSNR-IAQYHMDHSA-N 1 1 394.338 4.282 20 0 GIADMO CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185360485 822771481 /nfs/dbraw/zinc/77/14/81/822771481.db2.gz PYGXOQFLXSLQCI-PXAZEXFGSA-N 1 1 397.500 4.468 20 0 GIADMO COc1ccc(C2(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CCCCC2)cc1 ZINC000174345583 822775587 /nfs/dbraw/zinc/77/55/87/822775587.db2.gz MJMLEISNTPHYHC-AZUAARDMSA-N 1 1 387.568 4.021 20 0 GIADMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000051709737 822775693 /nfs/dbraw/zinc/77/56/93/822775693.db2.gz PAQZTRKCCFXNFY-LJQANCHMSA-N 1 1 392.499 4.306 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc3ccccc3n2)CC1 ZINC000174353322 822776865 /nfs/dbraw/zinc/77/68/65/822776865.db2.gz QHNHNCVCCOBHRT-GOSISDBHSA-N 1 1 392.522 4.367 20 0 GIADMO COc1cc(C[NH2+]Cc2cc[nH]n2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000174366916 822778797 /nfs/dbraw/zinc/77/87/97/822778797.db2.gz MJRXHTCJUIDXBZ-UHFFFAOYSA-N 1 1 391.393 4.306 20 0 GIADMO CCCCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000051800355 822778955 /nfs/dbraw/zinc/77/89/55/822778955.db2.gz CPIGZTOVNTVGEB-UHFFFAOYSA-N 1 1 385.321 4.107 20 0 GIADMO CCCCCNC(=O)C1CC[NH+](Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000051802911 822779408 /nfs/dbraw/zinc/77/94/08/822779408.db2.gz KYSYHEWIWBJKEZ-UHFFFAOYSA-N 1 1 375.538 4.230 20 0 GIADMO CC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC000174406461 822785957 /nfs/dbraw/zinc/78/59/57/822785957.db2.gz ACVPUFWURMBOTO-FQEVSTJZSA-N 1 1 388.895 4.146 20 0 GIADMO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)c1OC ZINC000174406976 822786104 /nfs/dbraw/zinc/78/61/04/822786104.db2.gz QNQUKTNSSWYYPB-GOSISDBHSA-N 1 1 391.895 4.205 20 0 GIADMO COc1ccc(N(CC2CC2)C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000456176225 822786482 /nfs/dbraw/zinc/78/64/82/822786482.db2.gz KATDGUXFUYJSGF-UHFFFAOYSA-N 1 1 399.560 4.115 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2ccccc2Cl)CC1 ZINC000185461032 822787039 /nfs/dbraw/zinc/78/70/39/822787039.db2.gz XAFYLUIRGWIJQZ-OAHLLOKOSA-N 1 1 377.941 4.109 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000185465058 822787488 /nfs/dbraw/zinc/78/74/88/822787488.db2.gz CMKQXAXZXGMIAX-SJORKVTESA-N 1 1 382.533 4.162 20 0 GIADMO CCOc1ccc(-c2nc(C[NH+]3CCC(O)(c4ccccc4)CC3)co2)cc1 ZINC000185491650 822790340 /nfs/dbraw/zinc/79/03/40/822790340.db2.gz GVDXFOKEWAIIQW-UHFFFAOYSA-N 1 1 378.472 4.224 20 0 GIADMO OCC[N@H+](Cc1cnn(Cc2ccccc2)c1)CC1CCC(C(F)(F)F)CC1 ZINC000185512652 822792232 /nfs/dbraw/zinc/79/22/32/822792232.db2.gz LMGLTIYKHOZQLZ-UHFFFAOYSA-N 1 1 395.469 4.094 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000052187098 822792758 /nfs/dbraw/zinc/79/27/58/822792758.db2.gz ZOKZPTLZPUELTH-HNNXBMFYSA-N 1 1 392.494 4.463 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NC2(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000185518695 822792797 /nfs/dbraw/zinc/79/27/97/822792797.db2.gz MJOGGQJWAPXTRZ-AZUAARDMSA-N 1 1 383.561 4.206 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc(Cl)cc1 ZINC000174469006 822794335 /nfs/dbraw/zinc/79/43/35/822794335.db2.gz PAYNIWKUFSGUQT-FQEVSTJZSA-N 1 1 385.939 4.046 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(OC(C)C)cc1F)[NH+](C)C ZINC000052267597 822795348 /nfs/dbraw/zinc/79/53/48/822795348.db2.gz ZHKRISOZTMNZAE-IBGZPJMESA-N 1 1 389.471 4.046 20 0 GIADMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000052283227 822795603 /nfs/dbraw/zinc/79/56/03/822795603.db2.gz VWBTZEPVFKAONH-SNVBAGLBSA-N 1 1 382.411 4.275 20 0 GIADMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000052283227 822795606 /nfs/dbraw/zinc/79/56/06/822795606.db2.gz VWBTZEPVFKAONH-SNVBAGLBSA-N 1 1 382.411 4.275 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OC(F)F ZINC000174495670 822796828 /nfs/dbraw/zinc/79/68/28/822796828.db2.gz OXQKTMLAAHJKCT-QGZVFWFLSA-N 1 1 389.446 4.274 20 0 GIADMO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(C)c2ccccc12 ZINC000185569866 822797513 /nfs/dbraw/zinc/79/75/13/822797513.db2.gz GAZVYBDXDXVDLK-PZJWPPBQSA-N 1 1 389.543 4.262 20 0 GIADMO CC[C@@](C)([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1nc(C)cs1 ZINC000174501567 822797654 /nfs/dbraw/zinc/79/76/54/822797654.db2.gz JXWGCBAWZXNWFA-MRXNPFEDSA-N 1 1 383.311 4.358 20 0 GIADMO C[C@@H]1CN(C(=O)c2cccc(-c3cscn3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456316372 822797703 /nfs/dbraw/zinc/79/77/03/822797703.db2.gz ABHZFQOWDQDRPT-SFHVURJKSA-N 1 1 391.540 4.404 20 0 GIADMO C[C@@H]1CN(C(=O)CCc2ccnc3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000456324344 822798418 /nfs/dbraw/zinc/79/84/18/822798418.db2.gz FKGBJCLAGBURKV-FQEVSTJZSA-N 1 1 387.527 4.148 20 0 GIADMO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174509320 822798654 /nfs/dbraw/zinc/79/86/54/822798654.db2.gz WDYRFZIUSCGUMD-UKRRQHHQSA-N 1 1 387.446 4.441 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000185581992 822798899 /nfs/dbraw/zinc/79/88/99/822798899.db2.gz KRAIXXNHCBCMBV-LJQANCHMSA-N 1 1 382.504 4.214 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)C1 ZINC000174522823 822800447 /nfs/dbraw/zinc/80/04/47/822800447.db2.gz BYKAYVCNKFAGCD-CQSZACIVSA-N 1 1 394.487 4.430 20 0 GIADMO Cc1cc(NCC2(c3cccc(Br)c3)CCOCC2)nc(C)[nH+]1 ZINC000052487316 822801219 /nfs/dbraw/zinc/80/12/19/822801219.db2.gz VLNJQGOALKEYMT-UHFFFAOYSA-N 1 1 376.298 4.016 20 0 GIADMO CN(Cc1ccoc1)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000052526006 822802677 /nfs/dbraw/zinc/80/26/77/822802677.db2.gz OHVPROWKVPRODU-HXUWFJFHSA-N 1 1 395.528 4.282 20 0 GIADMO CN(Cc1ccoc1)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000052526006 822802683 /nfs/dbraw/zinc/80/26/83/822802683.db2.gz OHVPROWKVPRODU-HXUWFJFHSA-N 1 1 395.528 4.282 20 0 GIADMO CCN(CC)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)o1 ZINC000052528026 822802867 /nfs/dbraw/zinc/80/28/67/822802867.db2.gz SWDQTBVBJUMCGU-UHFFFAOYSA-N 1 1 383.536 4.037 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nncn4C(C)C)C3)cs2)cc1 ZINC000174548863 822803778 /nfs/dbraw/zinc/80/37/78/822803778.db2.gz HGRBZVGQNNBYOY-QGZVFWFLSA-N 1 1 397.548 4.371 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nncn4C(C)C)C3)cs2)cc1 ZINC000174548863 822803781 /nfs/dbraw/zinc/80/37/81/822803781.db2.gz HGRBZVGQNNBYOY-QGZVFWFLSA-N 1 1 397.548 4.371 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000174552718 822804040 /nfs/dbraw/zinc/80/40/40/822804040.db2.gz WYOLRRVFSCZYDH-AWEZNQCLSA-N 1 1 383.323 4.424 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(Br)cc1Cl ZINC000174552956 822804221 /nfs/dbraw/zinc/80/42/21/822804221.db2.gz PXLGAEAWAWPFPD-UHFFFAOYSA-N 1 1 385.693 4.209 20 0 GIADMO CCn1c(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)nc2c1cccc2F ZINC000185635277 822804867 /nfs/dbraw/zinc/80/48/67/822804867.db2.gz UPKGGWHDVPZXHB-NSHDSACASA-N 1 1 397.420 4.422 20 0 GIADMO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)c2ccccc2)cc1 ZINC000052662350 822806684 /nfs/dbraw/zinc/80/66/84/822806684.db2.gz ZFLOKWADPOECPP-MGPUTAFESA-N 1 1 395.890 4.450 20 0 GIADMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2csc(Nc3ccccc3)n2)cc1 ZINC000185651289 822806881 /nfs/dbraw/zinc/80/68/81/822806881.db2.gz ZJYFYXGYKMRKSL-OAHLLOKOSA-N 1 1 397.500 4.289 20 0 GIADMO COc1ccc2c(C[N@H+](C)Cc3ccc(Br)s3)cc(=O)oc2c1 ZINC000052710199 822807859 /nfs/dbraw/zinc/80/78/59/822807859.db2.gz CVZZUHIUCIYYSI-UHFFFAOYSA-N 1 1 394.290 4.258 20 0 GIADMO COc1ccc2c(C[N@@H+](C)Cc3ccc(Br)s3)cc(=O)oc2c1 ZINC000052710199 822807861 /nfs/dbraw/zinc/80/78/61/822807861.db2.gz CVZZUHIUCIYYSI-UHFFFAOYSA-N 1 1 394.290 4.258 20 0 GIADMO C[C@@H](N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671371 822808768 /nfs/dbraw/zinc/80/87/68/822808768.db2.gz SGDXMUDCLGOCQW-DOADOZAASA-N 1 1 389.609 4.043 20 0 GIADMO CCn1c2ccccc2c2cc(NC(=O)C[N@@H+](C[C@@H]3CCOC3)C3CC3)ccc21 ZINC000052752941 822809680 /nfs/dbraw/zinc/80/96/80/822809680.db2.gz STKCKGOPXMDXIB-KRWDZBQOSA-N 1 1 391.515 4.254 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1)C1CC1 ZINC000456482395 822809713 /nfs/dbraw/zinc/80/97/13/822809713.db2.gz RHWCSFYMOXJGCQ-JOCHJYFZSA-N 1 1 382.479 4.024 20 0 GIADMO C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683103 822809721 /nfs/dbraw/zinc/80/97/21/822809721.db2.gz ABOOBTFWYLWHLB-FUHWJXTLSA-N 1 1 375.582 4.203 20 0 GIADMO C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683103 822809726 /nfs/dbraw/zinc/80/97/26/822809726.db2.gz ABOOBTFWYLWHLB-FUHWJXTLSA-N 1 1 375.582 4.203 20 0 GIADMO COc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OCc1ccccc1 ZINC000174600710 822810531 /nfs/dbraw/zinc/81/05/31/822810531.db2.gz GRVFVTJVSPBCHB-FRIKZZABSA-N 1 1 380.532 4.379 20 0 GIADMO COc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCc1ccccc1 ZINC000174600710 822810533 /nfs/dbraw/zinc/81/05/33/822810533.db2.gz GRVFVTJVSPBCHB-FRIKZZABSA-N 1 1 380.532 4.379 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2csc3ccccc23)c(OC)c1 ZINC000052806122 822811620 /nfs/dbraw/zinc/81/16/20/822811620.db2.gz JVHAGLKDEOMYHX-CQSZACIVSA-N 1 1 384.501 4.378 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2csc3ccccc23)c(OC)c1 ZINC000052806122 822811621 /nfs/dbraw/zinc/81/16/21/822811621.db2.gz JVHAGLKDEOMYHX-CQSZACIVSA-N 1 1 384.501 4.378 20 0 GIADMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000052825914 822812172 /nfs/dbraw/zinc/81/21/72/822812172.db2.gz UYRGCSGKPGLHAE-HXUWFJFHSA-N 1 1 395.466 4.008 20 0 GIADMO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000052836985 822812499 /nfs/dbraw/zinc/81/24/99/822812499.db2.gz YLMOHMWHYMRXOC-HSZRJFAPSA-N 1 1 399.494 4.002 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@@H](C)c1cccc(O)c1 ZINC000174613288 822812519 /nfs/dbraw/zinc/81/25/19/822812519.db2.gz GGTQUFUTBMRCLP-LBPRGKRZSA-N 1 1 395.272 4.315 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)[C@@H](C)c1cccc(O)c1 ZINC000174613288 822812523 /nfs/dbraw/zinc/81/25/23/822812523.db2.gz GGTQUFUTBMRCLP-LBPRGKRZSA-N 1 1 395.272 4.315 20 0 GIADMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCOCC12CCCCC2 ZINC000456520068 822812567 /nfs/dbraw/zinc/81/25/67/822812567.db2.gz JGOUNRCEKRDCHS-LJQANCHMSA-N 1 1 385.552 4.055 20 0 GIADMO CC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000174616816 822812923 /nfs/dbraw/zinc/81/29/23/822812923.db2.gz VUDHMSYXKKWPCV-HRAATJIYSA-N 1 1 395.528 4.137 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000174616816 822812925 /nfs/dbraw/zinc/81/29/25/822812925.db2.gz VUDHMSYXKKWPCV-HRAATJIYSA-N 1 1 395.528 4.137 20 0 GIADMO O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000174615802 822813008 /nfs/dbraw/zinc/81/30/08/822813008.db2.gz UTZWIMPARDPWFX-UHFFFAOYSA-N 1 1 378.501 4.275 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nc(C)no4)C3)cs2)cc1 ZINC000052861693 822813054 /nfs/dbraw/zinc/81/30/54/822813054.db2.gz DOGULSGOLYIOLJ-INIZCTEOSA-N 1 1 384.505 4.280 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nc(C)no4)C3)cs2)cc1 ZINC000052861693 822813057 /nfs/dbraw/zinc/81/30/57/822813057.db2.gz DOGULSGOLYIOLJ-INIZCTEOSA-N 1 1 384.505 4.280 20 0 GIADMO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)c1ccc(F)cc1F)c1ccsc1 ZINC000052877964 822813847 /nfs/dbraw/zinc/81/38/47/822813847.db2.gz ATCFICHAIPCRDZ-GOSISDBHSA-N 1 1 394.487 4.189 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)C2c3ccccc3-c3ccccc32)c1 ZINC000052897287 822814627 /nfs/dbraw/zinc/81/46/27/822814627.db2.gz APOHZGJUJLCKSY-UHFFFAOYSA-N 1 1 385.467 4.285 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)C2c3ccccc3-c3ccccc32)c1 ZINC000052897287 822814629 /nfs/dbraw/zinc/81/46/29/822814629.db2.gz APOHZGJUJLCKSY-UHFFFAOYSA-N 1 1 385.467 4.285 20 0 GIADMO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)o2)c1 ZINC000052909485 822815014 /nfs/dbraw/zinc/81/50/14/822815014.db2.gz GIJRBKCZBQMXQK-HNNXBMFYSA-N 1 1 386.496 4.095 20 0 GIADMO COc1ccccc1C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000174634616 822815511 /nfs/dbraw/zinc/81/55/11/822815511.db2.gz NRCYAGVNHSEYFO-QHCPKHFHSA-N 1 1 395.524 4.286 20 0 GIADMO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccnc2)c2ccc(Cl)cc2)c1 ZINC000174635971 822815655 /nfs/dbraw/zinc/81/56/55/822815655.db2.gz ROVZSJYPUYKNNE-FQEVSTJZSA-N 1 1 386.904 4.018 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)c2nnc3ccccn32)o1 ZINC000052918907 822815674 /nfs/dbraw/zinc/81/56/74/822815674.db2.gz LWCMLSSOURJSCG-KRWDZBQOSA-N 1 1 398.470 4.334 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Cc2nc(-c3ccc(F)cc3)cs2)[C@@H]1c1ccccc1 ZINC000185736807 822816110 /nfs/dbraw/zinc/81/61/10/822816110.db2.gz YGYPDRJTESNZNK-AVRDEDQJSA-N 1 1 395.503 4.053 20 0 GIADMO C[C@H](NCC(=O)Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739685 822816502 /nfs/dbraw/zinc/81/65/02/822816502.db2.gz BXIYCHGAOLLKOI-KBPBESRZSA-N 1 1 384.351 4.175 20 0 GIADMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456599396 822819101 /nfs/dbraw/zinc/81/91/01/822819101.db2.gz XZEITVAUQLVXBZ-QGZVFWFLSA-N 1 1 384.386 4.165 20 0 GIADMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000053049559 822819746 /nfs/dbraw/zinc/81/97/46/822819746.db2.gz TXNLOMTVQRGKEN-UHFFFAOYSA-N 1 1 399.491 4.071 20 0 GIADMO Cc1c2cc(F)ccc2sc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000053088889 822821074 /nfs/dbraw/zinc/82/10/74/822821074.db2.gz NGRBBRRZPBTBKH-UHFFFAOYSA-N 1 1 398.503 4.111 20 0 GIADMO CC[N@@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@@H](C)c1ccc(F)cc1 ZINC000053088031 822821192 /nfs/dbraw/zinc/82/11/92/822821192.db2.gz XCSLQSPODCGCFV-AWEZNQCLSA-N 1 1 382.435 4.474 20 0 GIADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cccc(CC(F)(F)F)c1 ZINC000174679652 822822306 /nfs/dbraw/zinc/82/23/06/822822306.db2.gz SGPDYRAILXSUDA-LJQANCHMSA-N 1 1 392.421 4.021 20 0 GIADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cccc(CC(F)(F)F)c1 ZINC000174679652 822822309 /nfs/dbraw/zinc/82/23/09/822822309.db2.gz SGPDYRAILXSUDA-LJQANCHMSA-N 1 1 392.421 4.021 20 0 GIADMO C[C@@H](C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)N1CC[NH+](C)CC1 ZINC000174680978 822822475 /nfs/dbraw/zinc/82/24/75/822822475.db2.gz SBORQYBYLXAYOV-HNNXBMFYSA-N 1 1 389.952 4.066 20 0 GIADMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000053116652 822822429 /nfs/dbraw/zinc/82/24/29/822822429.db2.gz WCDOFFJILPRUMZ-UHFFFAOYSA-N 1 1 382.678 4.287 20 0 GIADMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000053116652 822822433 /nfs/dbraw/zinc/82/24/33/822822433.db2.gz WCDOFFJILPRUMZ-UHFFFAOYSA-N 1 1 382.678 4.287 20 0 GIADMO C[C@@H]([NH2+]Cc1noc(C2CCOCC2)n1)[C@H](C)c1ccccc1C(F)(F)F ZINC000185804190 822822668 /nfs/dbraw/zinc/82/26/68/822822668.db2.gz OXPMFIVIWHIFEW-QWHCGFSZSA-N 1 1 383.414 4.264 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2sc3ccc(F)cc3c2C)cn1 ZINC000053122540 822822740 /nfs/dbraw/zinc/82/27/40/822822740.db2.gz CGQQYWZIIPGJDD-UHFFFAOYSA-N 1 1 380.448 4.168 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+](C)[C@H](C)c3cc(F)ccc3F)cc(=O)oc2c1 ZINC000053125904 822822836 /nfs/dbraw/zinc/82/28/36/822822836.db2.gz PCBJYQIOJQBUQF-GFCCVEGCSA-N 1 1 386.398 4.223 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+](C)[C@H](C)c3cc(F)ccc3F)cc(=O)oc2c1 ZINC000053125904 822822839 /nfs/dbraw/zinc/82/28/39/822822839.db2.gz PCBJYQIOJQBUQF-GFCCVEGCSA-N 1 1 386.398 4.223 20 0 GIADMO c1csc(C[N@@H+](CCCc2nc(-c3cccs3)no2)C[C@H]2CCCO2)c1 ZINC000053134006 822823025 /nfs/dbraw/zinc/82/30/25/822823025.db2.gz QHGCSNIQIFGPTF-OAHLLOKOSA-N 1 1 389.546 4.473 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000174695905 822824588 /nfs/dbraw/zinc/82/45/88/822824588.db2.gz LILKEKBDDZTZIM-UHFFFAOYSA-N 1 1 387.487 4.256 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000053180359 822824896 /nfs/dbraw/zinc/82/48/96/822824896.db2.gz WLJHUAAAPAHNDJ-CYBMUJFWSA-N 1 1 386.908 4.026 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000053179913 822824915 /nfs/dbraw/zinc/82/49/15/822824915.db2.gz UXMVSHINJMZZOD-UHFFFAOYSA-N 1 1 398.894 4.013 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H](C)Sc1ccccc1Cl ZINC000053182835 822825113 /nfs/dbraw/zinc/82/51/13/822825113.db2.gz LYFUGRRSOZYYND-ZDUSSCGKSA-N 1 1 386.908 4.026 20 0 GIADMO COc1cccc(Cl)c1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000174703629 822825688 /nfs/dbraw/zinc/82/56/88/822825688.db2.gz LKKWIRPHRAVBSO-UHFFFAOYSA-N 1 1 394.849 4.021 20 0 GIADMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)c1ccccc1 ZINC000174706928 822826413 /nfs/dbraw/zinc/82/64/13/822826413.db2.gz DQBANGCDRPEVDV-JOCHJYFZSA-N 1 1 393.462 4.431 20 0 GIADMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)c1ccccc1 ZINC000174706928 822826417 /nfs/dbraw/zinc/82/64/17/822826417.db2.gz DQBANGCDRPEVDV-JOCHJYFZSA-N 1 1 393.462 4.431 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000053258241 822827961 /nfs/dbraw/zinc/82/79/61/822827961.db2.gz AMYKJASXVUBDPY-UHFFFAOYSA-N 1 1 380.517 4.055 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000053258241 822827964 /nfs/dbraw/zinc/82/79/64/822827964.db2.gz AMYKJASXVUBDPY-UHFFFAOYSA-N 1 1 380.517 4.055 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000185865009 822828327 /nfs/dbraw/zinc/82/83/27/822828327.db2.gz ZTMFIMMXXBWYRJ-MRXNPFEDSA-N 1 1 395.469 4.081 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000053269858 822828585 /nfs/dbraw/zinc/82/85/85/822828585.db2.gz YNKRKLISDHSMGR-OAHLLOKOSA-N 1 1 389.908 4.398 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC000053279336 822828892 /nfs/dbraw/zinc/82/88/92/822828892.db2.gz AOILPTUUCOCHAK-JOCHJYFZSA-N 1 1 393.531 4.253 20 0 GIADMO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000174744224 822831312 /nfs/dbraw/zinc/83/13/12/822831312.db2.gz DPCRUOBRSGTFLI-OLZOCXBDSA-N 1 1 392.491 4.033 20 0 GIADMO COc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccs2)c(OC)cc1Cl ZINC000174753020 822832531 /nfs/dbraw/zinc/83/25/31/822832531.db2.gz FMMGXEQNOCLSGY-LBPRGKRZSA-N 1 1 382.913 4.440 20 0 GIADMO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000174758660 822833385 /nfs/dbraw/zinc/83/33/85/822833385.db2.gz DGKFTXNDQWHHON-CABCVRRESA-N 1 1 385.430 4.195 20 0 GIADMO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000185923363 822833952 /nfs/dbraw/zinc/83/39/52/822833952.db2.gz BGRBQVHVRUXQMS-HNNXBMFYSA-N 1 1 377.330 4.137 20 0 GIADMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000185923363 822833955 /nfs/dbraw/zinc/83/39/55/822833955.db2.gz BGRBQVHVRUXQMS-HNNXBMFYSA-N 1 1 377.330 4.137 20 0 GIADMO COc1ccc2oc([C@H](C)NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c(C)c2c1 ZINC000174779691 822835790 /nfs/dbraw/zinc/83/57/90/822835790.db2.gz WRNMCOUYSZEGMV-KSZLIROESA-N 1 1 399.535 4.468 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1F ZINC000185947976 822836217 /nfs/dbraw/zinc/83/62/17/822836217.db2.gz OMTIWWMISAEKFM-UHFFFAOYSA-N 1 1 390.422 4.032 20 0 GIADMO COc1ccc(C)nc1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000174788030 822837084 /nfs/dbraw/zinc/83/70/84/822837084.db2.gz WQJOSVXSAMCDQM-UHFFFAOYSA-N 1 1 375.472 4.283 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185958753 822837427 /nfs/dbraw/zinc/83/74/27/822837427.db2.gz WYCIMGZADBIJLC-UHFFFAOYSA-N 1 1 377.492 4.239 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174796481 822838149 /nfs/dbraw/zinc/83/81/49/822838149.db2.gz OWDVLQSBUBUYLL-JOCHJYFZSA-N 1 1 395.547 4.137 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000053539583 822839707 /nfs/dbraw/zinc/83/97/07/822839707.db2.gz IMRUFVLPDVRNJS-DOTOQJQBSA-N 1 1 388.606 4.128 20 0 GIADMO CC[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1nc(C(F)(F)F)cs1 ZINC000185976794 822839991 /nfs/dbraw/zinc/83/99/91/822839991.db2.gz MCPCHLNIFXUOSJ-OLZOCXBDSA-N 1 1 385.411 4.228 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)cn1 ZINC000053545969 822840088 /nfs/dbraw/zinc/84/00/88/822840088.db2.gz SAMBMQABULYQFQ-UHFFFAOYSA-N 1 1 384.439 4.407 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000174814381 822841095 /nfs/dbraw/zinc/84/10/95/822841095.db2.gz DMDOYWKCNRXPBR-LPHOPBHVSA-N 1 1 386.540 4.072 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NCC2(Sc3ccccc3)CCCC2)CC[N@H+]1C ZINC000174822511 822842097 /nfs/dbraw/zinc/84/20/97/822842097.db2.gz BBNUWFSYFBLBHX-MSOLQXFVSA-N 1 1 375.582 4.216 20 0 GIADMO C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174825240 822842349 /nfs/dbraw/zinc/84/23/49/822842349.db2.gz QRHHSEFPGYUOHH-UHFFFAOYSA-N 1 1 389.471 4.312 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)cs2)cc1 ZINC000053606462 822842515 /nfs/dbraw/zinc/84/25/15/822842515.db2.gz ASGKPWWAXJXJHL-LJQANCHMSA-N 1 1 381.476 4.385 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)cs2)cc1 ZINC000053606462 822842518 /nfs/dbraw/zinc/84/25/18/822842518.db2.gz ASGKPWWAXJXJHL-LJQANCHMSA-N 1 1 381.476 4.385 20 0 GIADMO COc1ccc([C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c2ccco2)cc1 ZINC000456990344 822845036 /nfs/dbraw/zinc/84/50/36/822845036.db2.gz FMCSFCSAORQJSK-XMSQKQJNSA-N 1 1 382.504 4.148 20 0 GIADMO COc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000174858160 822847404 /nfs/dbraw/zinc/84/74/04/822847404.db2.gz ZNKWYPJKDKFAHF-FZKQIMNGSA-N 1 1 377.485 4.100 20 0 GIADMO CC(=O)Nc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1F ZINC000053809988 822848866 /nfs/dbraw/zinc/84/88/66/822848866.db2.gz KAYVWSXNSLKYDA-HNNXBMFYSA-N 1 1 383.467 4.268 20 0 GIADMO CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000053809693 822848933 /nfs/dbraw/zinc/84/89/33/822848933.db2.gz HZMUVLPKAYNSOF-HNNXBMFYSA-N 1 1 383.467 4.268 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)C1 ZINC000457078028 822850550 /nfs/dbraw/zinc/85/05/50/822850550.db2.gz AIDHOVUAJZPYJL-CQSZACIVSA-N 1 1 396.409 4.400 20 0 GIADMO CCOc1ccc(-c2nc(C)c(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)s2)cc1 ZINC000457110061 822854010 /nfs/dbraw/zinc/85/40/10/822854010.db2.gz HNKYFMDSAOBMJA-KRWDZBQOSA-N 1 1 387.549 4.072 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(COC(C)(C)C)on2)CC1 ZINC000186140727 822855228 /nfs/dbraw/zinc/85/52/28/822855228.db2.gz GNNUMNTZDUXXIV-KRWDZBQOSA-N 1 1 391.556 4.106 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000174918124 822855954 /nfs/dbraw/zinc/85/59/54/822855954.db2.gz DNTIEMPAVMCNLO-LJQANCHMSA-N 1 1 390.449 4.228 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2sccc2OC)CC1 ZINC000186154490 822856395 /nfs/dbraw/zinc/85/63/95/822856395.db2.gz RNKKMNXJVSUIOL-HZPDHXFCSA-N 1 1 391.556 4.450 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000174922890 822856451 /nfs/dbraw/zinc/85/64/51/822856451.db2.gz FTEFNCSITZLIGG-DFQSSKMNSA-N 1 1 384.470 4.049 20 0 GIADMO Cc1nc(-c2ccco2)ccc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174934951 822857998 /nfs/dbraw/zinc/85/79/98/822857998.db2.gz LWWNFOVPYAEUKW-HXUWFJFHSA-N 1 1 389.499 4.244 20 0 GIADMO CSCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186177552 822858302 /nfs/dbraw/zinc/85/83/02/822858302.db2.gz IMSMFIBAIXZUBO-ICSRJNTNSA-N 1 1 377.598 4.214 20 0 GIADMO COc1ccc(CC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1OC ZINC000054011275 822858689 /nfs/dbraw/zinc/85/86/89/822858689.db2.gz PXPMWTIGSFKGES-UHFFFAOYSA-N 1 1 393.487 4.253 20 0 GIADMO CSCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000186185141 822859106 /nfs/dbraw/zinc/85/91/06/822859106.db2.gz KNLJVMXHPHSHNN-LEWJYISDSA-N 1 1 389.609 4.216 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000174945118 822859336 /nfs/dbraw/zinc/85/93/36/822859336.db2.gz MLEGDEKIPRASGL-ARKBFRDHSA-N 1 1 385.511 4.229 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1C(F)(F)F ZINC000174950607 822860116 /nfs/dbraw/zinc/86/01/16/822860116.db2.gz MKGRJCHZULLMKN-SFHVURJKSA-N 1 1 390.449 4.228 20 0 GIADMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCCC[N@@H+](C)C3CC3)c12 ZINC000457202140 822860513 /nfs/dbraw/zinc/86/05/13/822860513.db2.gz NCHSLPGSOAGTOC-UHFFFAOYSA-N 1 1 399.583 4.222 20 0 GIADMO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000186204481 822860805 /nfs/dbraw/zinc/86/08/05/822860805.db2.gz JVDRNGRNOWTPNQ-YVEFUNNKSA-N 1 1 386.845 4.448 20 0 GIADMO CCCc1noc2nc(C3CC3)cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c12 ZINC000174974484 822863281 /nfs/dbraw/zinc/86/32/81/822863281.db2.gz YTMHZXLQNRFXJM-SJORKVTESA-N 1 1 396.535 4.140 20 0 GIADMO C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)Cc1ccc2c(c1)OCCO2 ZINC000054152984 822864576 /nfs/dbraw/zinc/86/45/76/822864576.db2.gz WMCNGSXZARSTPC-UHFFFAOYSA-N 1 1 388.467 4.342 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000054164632 822864735 /nfs/dbraw/zinc/86/47/35/822864735.db2.gz XZFNPQYBJRQZFP-UHFFFAOYSA-N 1 1 398.466 4.008 20 0 GIADMO CNC(=O)CC1CC[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000175007079 822866419 /nfs/dbraw/zinc/86/64/19/822866419.db2.gz NFROYTURFVXIBR-UHFFFAOYSA-N 1 1 397.466 4.177 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)CC23CCC3)c1)c1ccc(Cl)cc1 ZINC000568973264 822866771 /nfs/dbraw/zinc/86/67/71/822866771.db2.gz NLVLJKAKEXXOQI-FQEVSTJZSA-N 1 1 384.907 4.472 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000186263917 822866837 /nfs/dbraw/zinc/86/68/37/822866837.db2.gz JORSJIBRERFURX-LJQANCHMSA-N 1 1 394.515 4.380 20 0 GIADMO COc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(C)C ZINC000186267845 822867584 /nfs/dbraw/zinc/86/75/84/822867584.db2.gz AHULAAUYMSERPP-IAGOWNOFSA-N 1 1 389.540 4.257 20 0 GIADMO COc1ccccc1[C@H]([NH3+])C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000568985722 822867661 /nfs/dbraw/zinc/86/76/61/822867661.db2.gz FWTPXARROULFBQ-IBGZPJMESA-N 1 1 392.421 4.120 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)N[C@H](C)c3ccccc3Cl)CCCC2)n1 ZINC000175022490 822869107 /nfs/dbraw/zinc/86/91/07/822869107.db2.gz NBPHANUBTXGVNZ-CQSZACIVSA-N 1 1 377.941 4.341 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000054226474 822869867 /nfs/dbraw/zinc/86/98/67/822869867.db2.gz SHEFLZUPXBHKDQ-NQIIRXRSSA-N 1 1 375.516 4.442 20 0 GIADMO CCc1ccc([C@H]2CCCCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000175027503 822870423 /nfs/dbraw/zinc/87/04/23/822870423.db2.gz MUURIUUZJCPZFN-HXUWFJFHSA-N 1 1 396.535 4.451 20 0 GIADMO CCCCn1ncc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000569040017 822871998 /nfs/dbraw/zinc/87/19/98/822871998.db2.gz QEUYWXQFKZDRTM-NRFANRHFSA-N 1 1 397.567 4.415 20 0 GIADMO CCCCn1ncc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000569040018 822872259 /nfs/dbraw/zinc/87/22/59/822872259.db2.gz QEUYWXQFKZDRTM-OAQYLSRUSA-N 1 1 397.567 4.415 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CC3CCC3)CC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000175047073 822873207 /nfs/dbraw/zinc/87/32/07/822873207.db2.gz WUZJWDRWDDCFBY-HZPDHXFCSA-N 1 1 398.469 4.100 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000457406655 822873277 /nfs/dbraw/zinc/87/32/77/822873277.db2.gz UTIGUARLSBGYBZ-HNNXBMFYSA-N 1 1 392.412 4.421 20 0 GIADMO O=S1(=O)CC[C@H]([NH2+][C@H]2CCCOc3c(Cl)cccc32)c2ccccc21 ZINC000186309814 822874255 /nfs/dbraw/zinc/87/42/55/822874255.db2.gz NCLSSEYPAWPMNA-IRXDYDNUSA-N 1 1 377.893 4.062 20 0 GIADMO Cc1c(Cl)cncc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000457437486 822875200 /nfs/dbraw/zinc/87/52/00/822875200.db2.gz QMPPXJXKXFKTHM-UHFFFAOYSA-N 1 1 378.303 4.045 20 0 GIADMO Cc1c(Cl)cncc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000457437486 822875202 /nfs/dbraw/zinc/87/52/02/822875202.db2.gz QMPPXJXKXFKTHM-UHFFFAOYSA-N 1 1 378.303 4.045 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000186325442 822876326 /nfs/dbraw/zinc/87/63/26/822876326.db2.gz SOUFFUYFEGDDLF-GOTSBHOMSA-N 1 1 392.547 4.147 20 0 GIADMO CCN(C(=O)c1cc(NC(C)=O)ccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186325349 822876374 /nfs/dbraw/zinc/87/63/74/822876374.db2.gz ONIKTOVTBAMQFA-LJQANCHMSA-N 1 1 399.922 4.035 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000054322789 822876448 /nfs/dbraw/zinc/87/64/48/822876448.db2.gz POXBBYPIIHRZBL-QGZVFWFLSA-N 1 1 376.566 4.041 20 0 GIADMO Cc1csc([C@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C2CC2)n1 ZINC000186327259 822876747 /nfs/dbraw/zinc/87/67/47/822876747.db2.gz NXOWDCMHIMIVHW-WOJBJXKFSA-N 1 1 398.576 4.112 20 0 GIADMO Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(-c2nc(C3CC3)no2)c1 ZINC000175067609 822876832 /nfs/dbraw/zinc/87/68/32/822876832.db2.gz CUORGZSLLVOJAT-QGZVFWFLSA-N 1 1 397.523 4.261 20 0 GIADMO CCc1ccc(-c2noc(C[NH+]3CCC4(CC3)OCCc3ccccc34)n2)cc1 ZINC000569077960 822877588 /nfs/dbraw/zinc/87/75/88/822877588.db2.gz HPDRTVPTGUQVNR-UHFFFAOYSA-N 1 1 389.499 4.363 20 0 GIADMO C[C@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F)C1CCC1 ZINC000457470959 822878288 /nfs/dbraw/zinc/87/82/88/822878288.db2.gz VVVQOPNXLZEQSQ-GJZGRUSLSA-N 1 1 375.488 4.013 20 0 GIADMO C[C@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)C1CCC1 ZINC000457470959 822878291 /nfs/dbraw/zinc/87/82/91/822878291.db2.gz VVVQOPNXLZEQSQ-GJZGRUSLSA-N 1 1 375.488 4.013 20 0 GIADMO C[C@H]1CC[C@@H](CCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000175087378 822879910 /nfs/dbraw/zinc/87/99/10/822879910.db2.gz BNBKYRXWOZFUKW-LPHOPBHVSA-N 1 1 398.469 4.087 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1 ZINC000175093892 822881195 /nfs/dbraw/zinc/88/11/95/822881195.db2.gz WRSNNKMYYPAETH-VXKWHMMOSA-N 1 1 387.483 4.082 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)Cc3cccc(Cl)c3F)C2)s1 ZINC000569128991 822882208 /nfs/dbraw/zinc/88/22/08/822882208.db2.gz GANBXQXVLAPUAC-HNNXBMFYSA-N 1 1 394.943 4.372 20 0 GIADMO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000175103396 822882585 /nfs/dbraw/zinc/88/25/85/822882585.db2.gz FTKQQUFTLQULPD-AABGKKOBSA-N 1 1 383.561 4.218 20 0 GIADMO Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c(C)n1C1CCCCC1 ZINC000175105749 822882930 /nfs/dbraw/zinc/88/29/30/822882930.db2.gz HMBFUYDQHMSFOJ-UHFFFAOYSA-N 1 1 396.535 4.363 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)Cc1ccccc1C ZINC000054425113 822883801 /nfs/dbraw/zinc/88/38/01/822883801.db2.gz MSRHZTZVBAIUCY-UHFFFAOYSA-N 1 1 376.504 4.258 20 0 GIADMO CCC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C[C@@H]1CCCCO1 ZINC000569150436 822884582 /nfs/dbraw/zinc/88/45/82/822884582.db2.gz SLLGZFSVDJBVMO-WNSKOXEYSA-N 1 1 378.365 4.382 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C/c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000569153960 822885218 /nfs/dbraw/zinc/88/52/18/822885218.db2.gz AUSLMKIUUOIRSW-YOBDTOFLSA-N 1 1 379.382 4.185 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C/c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000569153960 822885223 /nfs/dbraw/zinc/88/52/23/822885223.db2.gz AUSLMKIUUOIRSW-YOBDTOFLSA-N 1 1 379.382 4.185 20 0 GIADMO C[N@@H+](CCNC(=O)Nc1cccc(COCc2ccco2)c1)Cc1ccccc1 ZINC000054435378 822885444 /nfs/dbraw/zinc/88/54/44/822885444.db2.gz MIRQKWIDQQEEOE-UHFFFAOYSA-N 1 1 393.487 4.250 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccncc1 ZINC000175121017 822886302 /nfs/dbraw/zinc/88/63/02/822886302.db2.gz IBZQLKDRDYPJBA-PGRDOPGGSA-N 1 1 380.536 4.407 20 0 GIADMO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CCC1(F)F ZINC000569165482 822887040 /nfs/dbraw/zinc/88/70/40/822887040.db2.gz QWYZVOBSHOHGRT-DLBZAZTESA-N 1 1 379.495 4.105 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000175129032 822888547 /nfs/dbraw/zinc/88/85/47/822888547.db2.gz RPYYSZXEWXCEDI-SFHVURJKSA-N 1 1 394.519 4.163 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](c2ccccc2)c2ccc(OCC)cc2)C1 ZINC000054511661 822891756 /nfs/dbraw/zinc/89/17/56/822891756.db2.gz YGRKJPFECSURHI-XXBNENTESA-N 1 1 395.547 4.206 20 0 GIADMO CCC(CC)C[N@H+](CC)Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S ZINC000054514098 822892093 /nfs/dbraw/zinc/89/20/93/822892093.db2.gz HFXPUVZHDDCVLF-UHFFFAOYSA-N 1 1 375.542 4.077 20 0 GIADMO CCC(CC)C[N@@H+](CC)Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S ZINC000054514098 822892096 /nfs/dbraw/zinc/89/20/96/822892096.db2.gz HFXPUVZHDDCVLF-UHFFFAOYSA-N 1 1 375.542 4.077 20 0 GIADMO C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCCO1 ZINC000457572600 822893050 /nfs/dbraw/zinc/89/30/50/822893050.db2.gz JQOBMADYYLYIOR-IBGZPJMESA-N 1 1 385.335 4.033 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC000569219605 822894058 /nfs/dbraw/zinc/89/40/58/822894058.db2.gz VIHYHPPYJGQRFZ-LBPRGKRZSA-N 1 1 393.837 4.434 20 0 GIADMO Cc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C(=O)N1CCCC1 ZINC000569234740 822895107 /nfs/dbraw/zinc/89/51/07/822895107.db2.gz JNOCRJVNCANCSK-FQEVSTJZSA-N 1 1 399.922 4.126 20 0 GIADMO CCC[N@@H+](C)[C@H](CNC(=O)c1cnc2cnccc2c1)c1ccc(Cl)cc1 ZINC000569250457 822896748 /nfs/dbraw/zinc/89/67/48/822896748.db2.gz QWERBKSYIPMUQU-HXUWFJFHSA-N 1 1 382.895 4.096 20 0 GIADMO CC(C)n1ncc2cc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)c(Cl)nc21 ZINC000186447423 822897236 /nfs/dbraw/zinc/89/72/36/822897236.db2.gz YCDOMHUMQLASLE-OAQYLSRUSA-N 1 1 382.895 4.297 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)c(Cl)nc21 ZINC000186447423 822897241 /nfs/dbraw/zinc/89/72/41/822897241.db2.gz YCDOMHUMQLASLE-OAQYLSRUSA-N 1 1 382.895 4.297 20 0 GIADMO CCn1nccc1CC[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000569261390 822897806 /nfs/dbraw/zinc/89/78/06/822897806.db2.gz AYZXUILQYRUVGF-KRWDZBQOSA-N 1 1 378.314 4.054 20 0 GIADMO O=C(c1cnc2ccccc2c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000457621031 822897983 /nfs/dbraw/zinc/89/79/83/822897983.db2.gz USAXZAPGHBTXKM-VWLOTQADSA-N 1 1 385.511 4.363 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000054609003 822898667 /nfs/dbraw/zinc/89/86/67/822898667.db2.gz XHDYSOUZHSCWQW-NRFANRHFSA-N 1 1 389.503 4.306 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000054609057 822898807 /nfs/dbraw/zinc/89/88/07/822898807.db2.gz QFUGIIKAKNYADP-IBGZPJMESA-N 1 1 395.482 4.301 20 0 GIADMO O=C(c1cnc2ccccc2c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000457647867 822901066 /nfs/dbraw/zinc/90/10/66/822901066.db2.gz IPCDNBIGHKIBOE-ZJSXRUAMSA-N 1 1 385.511 4.362 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)CC(F)(F)F ZINC000457652736 822901669 /nfs/dbraw/zinc/90/16/69/822901669.db2.gz AUJUJBTZGXPVSY-YOEHRIQHSA-N 1 1 394.441 4.166 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(CCc3ccc(Cl)c(Cl)c3)n1)OC2 ZINC000569290460 822902477 /nfs/dbraw/zinc/90/24/77/822902477.db2.gz VHOFKOOGJDGQIP-MAUKXSAKSA-N 1 1 382.291 4.087 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(CCc3ccc(Cl)c(Cl)c3)n1)OC2 ZINC000569290460 822902479 /nfs/dbraw/zinc/90/24/79/822902479.db2.gz VHOFKOOGJDGQIP-MAUKXSAKSA-N 1 1 382.291 4.087 20 0 GIADMO Cc1oc2ccc(NC(=O)NC3CCN(c4cc(C)[nH+]c(C)n4)CC3)cc2c1C ZINC000186484009 822902654 /nfs/dbraw/zinc/90/26/54/822902654.db2.gz ANQWZFDFWNNXJR-UHFFFAOYSA-N 1 1 393.491 4.247 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000569293594 822902949 /nfs/dbraw/zinc/90/29/49/822902949.db2.gz KMTNYPCRGLBDSH-QHCPKHFHSA-N 1 1 399.494 4.016 20 0 GIADMO COc1cc(C[N@H+]2CCSC3(CCOCC3)C2)ccc1OCc1ccccc1 ZINC000186490399 822903879 /nfs/dbraw/zinc/90/38/79/822903879.db2.gz XPCJZHLNPGAEBO-UHFFFAOYSA-N 1 1 399.556 4.372 20 0 GIADMO COc1ccc2nc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)sc2c1 ZINC000186499257 822905291 /nfs/dbraw/zinc/90/52/91/822905291.db2.gz YJZFBJWVPYVFIN-UHFFFAOYSA-N 1 1 381.501 4.156 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2[nH]ccc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457676315 822905361 /nfs/dbraw/zinc/90/53/61/822905361.db2.gz BQPXBJLFQUEYGV-LIRRHRJNSA-N 1 1 375.875 4.107 20 0 GIADMO CCc1cccc(Cc2cnc(NC(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)s2)c1 ZINC000569310124 822905433 /nfs/dbraw/zinc/90/54/33/822905433.db2.gz GJJLNPGUELXEAZ-SFHVURJKSA-N 1 1 386.565 4.148 20 0 GIADMO CCc1cnc(CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)s1 ZINC000175216644 822906874 /nfs/dbraw/zinc/90/68/74/822906874.db2.gz JQBMALSUVRGDHW-UHFFFAOYSA-N 1 1 397.548 4.438 20 0 GIADMO O=C(NCC1(CCOCc2ccccc2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000186521500 822908068 /nfs/dbraw/zinc/90/80/68/822908068.db2.gz GVMVTGLCFRKTOS-NRFANRHFSA-N 1 1 384.564 4.144 20 0 GIADMO Cc1cccc(-c2noc(C[NH2+][C@@H]3CCN(C)[C@H]3c3ccc(Cl)cc3)n2)c1 ZINC000569341889 822909458 /nfs/dbraw/zinc/90/94/58/822909458.db2.gz WYEWLSCBMDOIIP-QUCCMNQESA-N 1 1 382.895 4.233 20 0 GIADMO C[N@@H+](CCNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)Cc1ccccc1 ZINC000054760981 822910825 /nfs/dbraw/zinc/91/08/25/822910825.db2.gz BSRCLIPTFHVWIZ-GOSISDBHSA-N 1 1 379.426 4.111 20 0 GIADMO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)C2)c1 ZINC000457728624 822911564 /nfs/dbraw/zinc/91/15/64/822911564.db2.gz HEPVZYYATKLATF-HMXCVIKNSA-N 1 1 387.568 4.095 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000175241252 822911954 /nfs/dbraw/zinc/91/19/54/822911954.db2.gz YZYVNZOCZLIZPX-FQEVSTJZSA-N 1 1 385.508 4.335 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1 ZINC000457730685 822912091 /nfs/dbraw/zinc/91/20/91/822912091.db2.gz IKCVOVBGNROIBK-WIYYLYMNSA-N 1 1 397.567 4.312 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186569470 822915225 /nfs/dbraw/zinc/91/52/25/822915225.db2.gz OZGAVXQVKLYHNY-HNNXBMFYSA-N 1 1 398.938 4.271 20 0 GIADMO O=C([C@@H]1CC[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)C1)N1CCCC1 ZINC000569392537 822915525 /nfs/dbraw/zinc/91/55/25/822915525.db2.gz PAAACHWGRBFTBU-HSZRJFAPSA-N 1 1 392.543 4.143 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000186574707 822916148 /nfs/dbraw/zinc/91/61/48/822916148.db2.gz HPFXQGFUVLDENH-UHFFFAOYSA-N 1 1 390.409 4.056 20 0 GIADMO Cc1c2ccc(NC(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)cc2nn1C ZINC000569404683 822917811 /nfs/dbraw/zinc/91/78/11/822917811.db2.gz XUQPFTXWMKWLTN-KRWDZBQOSA-N 1 1 391.519 4.010 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c3ncc(C)s3)ccc2c1 ZINC000175262174 822918231 /nfs/dbraw/zinc/91/82/31/822918231.db2.gz GLBSGJBUAOSJMR-HZPDHXFCSA-N 1 1 397.544 4.311 20 0 GIADMO CCOc1cccc(C[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)c1 ZINC000569410816 822918605 /nfs/dbraw/zinc/91/86/05/822918605.db2.gz JZSHEFOBVLKZDH-UHFFFAOYSA-N 1 1 397.563 4.202 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2ccoc2)n1 ZINC000175267964 822919831 /nfs/dbraw/zinc/91/98/31/822919831.db2.gz ZWQUPEUHPVWSBR-SFHVURJKSA-N 1 1 395.528 4.387 20 0 GIADMO Cc1cc(CNC(=O)c2ccc(OC(C)C)cc2Cl)cc(N2CCCC2)[nH+]1 ZINC000457806898 822921184 /nfs/dbraw/zinc/92/11/84/822921184.db2.gz MAWMKQHILRGVEJ-UHFFFAOYSA-N 1 1 387.911 4.361 20 0 GIADMO CC1(C)OCc2cc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)ccc2O1 ZINC000186603181 822922052 /nfs/dbraw/zinc/92/20/52/822922052.db2.gz ZWWLSYNAAKGAPN-GOSISDBHSA-N 1 1 380.488 4.182 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CCCCC[C@H]3c3ccco3)CC2)[nH+]c1 ZINC000175278876 822922803 /nfs/dbraw/zinc/92/28/03/822922803.db2.gz QZZBAKMYBIJWEU-IBGZPJMESA-N 1 1 382.508 4.279 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)[C@H](C)C3CC3)CC2)[nH+]c1 ZINC000175282179 822923570 /nfs/dbraw/zinc/92/35/70/822923570.db2.gz XVPFADCAKANTKF-LJQANCHMSA-N 1 1 392.547 4.369 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000175282732 822923661 /nfs/dbraw/zinc/92/36/61/822923661.db2.gz ONXVUUFNBMQDJQ-LJQANCHMSA-N 1 1 393.506 4.220 20 0 GIADMO COCc1cccc(OCC2(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)CCC2)c1 ZINC000569445455 822924289 /nfs/dbraw/zinc/92/42/89/822924289.db2.gz XTWFWAKUHPXZFZ-LJQANCHMSA-N 1 1 389.927 4.179 20 0 GIADMO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N(CC(F)(F)F)C1CCC1 ZINC000569444777 822924371 /nfs/dbraw/zinc/92/43/71/822924371.db2.gz SEBHLUNHTICATQ-INIZCTEOSA-N 1 1 390.396 4.087 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000175291349 822926296 /nfs/dbraw/zinc/92/62/96/822926296.db2.gz HMPGNCSKESVADX-WIYYLYMNSA-N 1 1 390.531 4.063 20 0 GIADMO CCS[C@H]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000175294766 822927220 /nfs/dbraw/zinc/92/72/20/822927220.db2.gz ZQZRENRIMAUNBJ-ROUUACIJSA-N 1 1 393.622 4.421 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(NC(=O)c2ccccc2)c1C ZINC000054975476 822927350 /nfs/dbraw/zinc/92/73/50/822927350.db2.gz HTZBRHMXIMHKHS-GOSISDBHSA-N 1 1 396.560 4.018 20 0 GIADMO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000569481392 822928221 /nfs/dbraw/zinc/92/82/21/822928221.db2.gz GHAWBEWAKRKMKY-WMZOPIPTSA-N 1 1 384.549 4.082 20 0 GIADMO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000569481392 822928222 /nfs/dbraw/zinc/92/82/22/822928222.db2.gz GHAWBEWAKRKMKY-WMZOPIPTSA-N 1 1 384.549 4.082 20 0 GIADMO CCOCCOCc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1C ZINC000175301106 822929207 /nfs/dbraw/zinc/92/92/07/822929207.db2.gz INDMNONDBUTLNI-HSZRJFAPSA-N 1 1 396.531 4.151 20 0 GIADMO Cc1ccc(-c2noc(CCC[N@H+]3CC[C@]4(C3)OCc3ccccc34)n2)cc1F ZINC000186655334 822930405 /nfs/dbraw/zinc/93/04/05/822930405.db2.gz BAVQMFFQGNCKJU-HSZRJFAPSA-N 1 1 393.462 4.248 20 0 GIADMO COc1cc(C)c([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC ZINC000186657134 822930971 /nfs/dbraw/zinc/93/09/71/822930971.db2.gz RJIJYRXBJREGEB-QRQCRPRQSA-N 1 1 383.467 4.325 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCc1ccc(F)cc1 ZINC000055024500 822932057 /nfs/dbraw/zinc/93/20/57/822932057.db2.gz UUUDMZRURJNQHL-ZDUSSCGKSA-N 1 1 379.273 4.090 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2nccc(OC)c2OC)cc1 ZINC000569512591 822932678 /nfs/dbraw/zinc/93/26/78/822932678.db2.gz IGGFUGHSDXRAJI-HXUWFJFHSA-N 1 1 378.472 4.181 20 0 GIADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)cc1 ZINC000175318110 822933462 /nfs/dbraw/zinc/93/34/62/822933462.db2.gz ODUFQQLDFSKJEU-UHFFFAOYSA-N 1 1 395.528 4.240 20 0 GIADMO CC[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000569533867 822936062 /nfs/dbraw/zinc/93/60/62/822936062.db2.gz QNXREFYFNKDJTM-LFVRLGFBSA-N 1 1 378.365 4.381 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000457921282 822936307 /nfs/dbraw/zinc/93/63/07/822936307.db2.gz BXGUNVXFOZJGTJ-NVXWUHKLSA-N 1 1 398.576 4.305 20 0 GIADMO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1-c1ccccc1 ZINC000186697453 822939619 /nfs/dbraw/zinc/93/96/19/822939619.db2.gz VWAZTFPPQATAPK-RUZDIDTESA-N 1 1 384.479 4.424 20 0 GIADMO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1-c1ccccc1 ZINC000186697453 822939621 /nfs/dbraw/zinc/93/96/21/822939621.db2.gz VWAZTFPPQATAPK-RUZDIDTESA-N 1 1 384.479 4.424 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1cccc2ccccc21 ZINC000569557296 822939775 /nfs/dbraw/zinc/93/97/75/822939775.db2.gz CACFFXLEQZUPCZ-VAFVZNMKSA-N 1 1 380.532 4.033 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000569560695 822940003 /nfs/dbraw/zinc/94/00/03/822940003.db2.gz IIWXVPBXELHIKF-RBBKRZOGSA-N 1 1 380.488 4.369 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000569560695 822940008 /nfs/dbraw/zinc/94/00/08/822940008.db2.gz IIWXVPBXELHIKF-RBBKRZOGSA-N 1 1 380.488 4.369 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1Br ZINC000055152310 822941298 /nfs/dbraw/zinc/94/12/98/822941298.db2.gz MDLHHNDTVKGFDF-NWDGAFQWSA-N 1 1 395.272 4.275 20 0 GIADMO COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)cc1F ZINC000569580958 822941780 /nfs/dbraw/zinc/94/17/80/822941780.db2.gz HJUGSIIMRSAJIL-OAHLLOKOSA-N 1 1 395.434 4.333 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC[N@H+]1C ZINC000175353224 822942715 /nfs/dbraw/zinc/94/27/15/822942715.db2.gz PKEAFLUJHBLHJA-MGPUTAFESA-N 1 1 398.482 4.024 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186723868 822944943 /nfs/dbraw/zinc/94/49/43/822944943.db2.gz ZLWQWXSNEWGXSV-UHFFFAOYSA-N 1 1 382.291 4.123 20 0 GIADMO CC[N@H+](C)[C@@H](C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccccc1 ZINC000186724343 822945239 /nfs/dbraw/zinc/94/52/39/822945239.db2.gz WEHIXNAWHNHWBI-LJQANCHMSA-N 1 1 391.437 4.196 20 0 GIADMO CC[N@@H+](C)[C@@H](C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccccc1 ZINC000186724343 822945242 /nfs/dbraw/zinc/94/52/42/822945242.db2.gz WEHIXNAWHNHWBI-LJQANCHMSA-N 1 1 391.437 4.196 20 0 GIADMO COC(=O)[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(F)cc1 ZINC000569618915 822945808 /nfs/dbraw/zinc/94/58/08/822945808.db2.gz KVTMCBCNLFLMOR-HTAPYJJXSA-N 1 1 384.495 4.062 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000457969623 822946025 /nfs/dbraw/zinc/94/60/25/822946025.db2.gz YTHJQPUCCBHJMZ-QGZVFWFLSA-N 1 1 396.535 4.112 20 0 GIADMO COc1ccc([C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c2ccc(F)cc2)cc1 ZINC000457975329 822946769 /nfs/dbraw/zinc/94/67/69/822946769.db2.gz UBLFYSMNBHQKDT-UNMCSNQZSA-N 1 1 399.510 4.048 20 0 GIADMO CCOc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000055247955 822947534 /nfs/dbraw/zinc/94/75/34/822947534.db2.gz VBTYLPVCCRAQFM-UHFFFAOYSA-N 1 1 380.532 4.061 20 0 GIADMO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186737657 822947841 /nfs/dbraw/zinc/94/78/41/822947841.db2.gz BVLWPQRLSSUKFL-HZPDHXFCSA-N 1 1 385.474 4.277 20 0 GIADMO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)c2ccccc21 ZINC000569634483 822948108 /nfs/dbraw/zinc/94/81/08/822948108.db2.gz XQWUZQSBDFIDFQ-PKTZIBPZSA-N 1 1 389.499 4.203 20 0 GIADMO CCOCc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000175369877 822948948 /nfs/dbraw/zinc/94/89/48/822948948.db2.gz PYDJICSOBGGGIH-AUSIDOKSSA-N 1 1 395.547 4.075 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000186757193 822950400 /nfs/dbraw/zinc/95/04/00/822950400.db2.gz JVYPZAMUVIDMIU-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Br)ccc1Br ZINC000186761004 822950927 /nfs/dbraw/zinc/95/09/27/822950927.db2.gz UFGUMYIUAJZHKK-CQSZACIVSA-N 1 1 399.130 4.112 20 0 GIADMO C[NH+](C)[C@H](C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1 ZINC000175385158 822954163 /nfs/dbraw/zinc/95/41/63/822954163.db2.gz KBLXFZBFIKJESE-NRFANRHFSA-N 1 1 379.504 4.447 20 0 GIADMO COc1cc(C)c(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000186797488 822957219 /nfs/dbraw/zinc/95/72/19/822957219.db2.gz BWSOYYDMUNVGFE-GOSISDBHSA-N 1 1 385.483 4.129 20 0 GIADMO CC1(C)CC[N@@H+](CC(=O)Nc2ccc(Oc3nncc4ccccc43)cc2)C1 ZINC000569706806 822957630 /nfs/dbraw/zinc/95/76/30/822957630.db2.gz PMNNFQAJJLNEJW-UHFFFAOYSA-N 1 1 376.460 4.093 20 0 GIADMO COCc1c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)sc2cccc(F)c21 ZINC000055403302 822957785 /nfs/dbraw/zinc/95/77/85/822957785.db2.gz XIXGQANCGHXXCP-ZIAGYGMSSA-N 1 1 378.513 4.037 20 0 GIADMO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186804646 822958279 /nfs/dbraw/zinc/95/82/79/822958279.db2.gz LZNAKQOLMCFFPT-UHFFFAOYSA-N 1 1 382.529 4.037 20 0 GIADMO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)OC)cc2Br)c1 ZINC000569714770 822958349 /nfs/dbraw/zinc/95/83/49/822958349.db2.gz IFIHWHJLAXPIOT-CYBMUJFWSA-N 1 1 392.293 4.485 20 0 GIADMO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000569717742 822958656 /nfs/dbraw/zinc/95/86/56/822958656.db2.gz HEOHFOYMTPRNIF-LJQANCHMSA-N 1 1 384.520 4.079 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc3ccccc3n2C)C[C@H](C)O1 ZINC000055417604 822959191 /nfs/dbraw/zinc/95/91/91/822959191.db2.gz CZAIAEZKGUGIAI-CALCHBBNSA-N 1 1 377.488 4.040 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc3ccccc3n2C)C[C@H](C)O1 ZINC000055417604 822959194 /nfs/dbraw/zinc/95/91/94/822959194.db2.gz CZAIAEZKGUGIAI-CALCHBBNSA-N 1 1 377.488 4.040 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1)c1ccccc1Cl ZINC000569754942 822964074 /nfs/dbraw/zinc/96/40/74/822964074.db2.gz XKLKNIRIKXSQLC-HXUWFJFHSA-N 1 1 384.907 4.472 20 0 GIADMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000175419241 822964252 /nfs/dbraw/zinc/96/42/52/822964252.db2.gz FNDCTXQNCDVMCA-KWMCUTETSA-N 1 1 398.572 4.243 20 0 GIADMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000175419241 822964254 /nfs/dbraw/zinc/96/42/54/822964254.db2.gz FNDCTXQNCDVMCA-KWMCUTETSA-N 1 1 398.572 4.243 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458179312 822965712 /nfs/dbraw/zinc/96/57/12/822965712.db2.gz XSVSJMPEZBKWGI-KRWDZBQOSA-N 1 1 387.549 4.045 20 0 GIADMO CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000055460188 822966155 /nfs/dbraw/zinc/96/61/55/822966155.db2.gz WBRRUAQLXMRABH-NQIIRXRSSA-N 1 1 385.552 4.037 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186847362 822966913 /nfs/dbraw/zinc/96/69/13/822966913.db2.gz UWZIPGWBTLSMLR-UHFFFAOYSA-N 1 1 378.538 4.132 20 0 GIADMO Fc1cccc(-c2noc([C@H]3CCC[N@@H+](Cc4cc5cccnc5o4)C3)n2)c1 ZINC000569779903 822967995 /nfs/dbraw/zinc/96/79/95/822967995.db2.gz QIWSNGFWQOTXEQ-INIZCTEOSA-N 1 1 378.407 4.397 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000175437128 822969006 /nfs/dbraw/zinc/96/90/06/822969006.db2.gz QFUUZAYAHQWAEM-HUUCEWRRSA-N 1 1 387.911 4.361 20 0 GIADMO CN1C(=O)CCc2cc(C[N@@H+](C)Cc3ccc(OC(F)(F)F)cc3)ccc21 ZINC000186885081 822974542 /nfs/dbraw/zinc/97/45/42/822974542.db2.gz GIKUDNXPIBLILL-UHFFFAOYSA-N 1 1 378.394 4.126 20 0 GIADMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000569857930 822976935 /nfs/dbraw/zinc/97/69/35/822976935.db2.gz LKBNSMFIQVUSRH-MBSDFSHPSA-N 1 1 393.531 4.109 20 0 GIADMO C[C@@H](NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ncc(Br)cc1F ZINC000186906510 822977755 /nfs/dbraw/zinc/97/77/55/822977755.db2.gz XFUXOXQXDFDSHC-BZNIZROVSA-N 1 1 384.268 4.076 20 0 GIADMO CC[NH+](CC)[C@H](CNC(=O)CCc1nc2cccc(C)c2[nH]1)c1ccsc1 ZINC000175480590 822979148 /nfs/dbraw/zinc/97/91/48/822979148.db2.gz AJDBCWRDMRMJKE-GOSISDBHSA-N 1 1 384.549 4.065 20 0 GIADMO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000458293457 822979561 /nfs/dbraw/zinc/97/95/61/822979561.db2.gz WPHXYURJPPQMQA-GBESFXJTSA-N 1 1 398.522 4.138 20 0 GIADMO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000458293457 822979564 /nfs/dbraw/zinc/97/95/64/822979564.db2.gz WPHXYURJPPQMQA-GBESFXJTSA-N 1 1 398.522 4.138 20 0 GIADMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186924115 822980953 /nfs/dbraw/zinc/98/09/53/822980953.db2.gz HYZJFTCDTPTEFH-OAHLLOKOSA-N 1 1 391.968 4.448 20 0 GIADMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186924115 822980955 /nfs/dbraw/zinc/98/09/55/822980955.db2.gz HYZJFTCDTPTEFH-OAHLLOKOSA-N 1 1 391.968 4.448 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ncc(Br)cc1F ZINC000186930993 822982290 /nfs/dbraw/zinc/98/22/90/822982290.db2.gz FOIDNDQOVJJOLC-VIFPVBQESA-N 1 1 375.188 4.435 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1ncc(Br)cc1F ZINC000186929988 822982398 /nfs/dbraw/zinc/98/23/98/822982398.db2.gz PTYHVFNGFQBVKR-WDEREUQCSA-N 1 1 381.245 4.166 20 0 GIADMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(F)(c2ccccn2)CC1)c1cc2ccccc2o1 ZINC000569917847 822985788 /nfs/dbraw/zinc/98/57/88/822985788.db2.gz SXUPZFGUTQHNIS-IAGOWNOFSA-N 1 1 395.478 4.354 20 0 GIADMO Cn1cccc1[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175507827 822986041 /nfs/dbraw/zinc/98/60/41/822986041.db2.gz MBHKKJUQPJOIGY-KPFFTGBYSA-N 1 1 386.565 4.016 20 0 GIADMO O=C([C@H](c1ccccc1)[NH+]1CCC(F)(c2ccccn2)CC1)N1CCCCC1 ZINC000569934896 822987442 /nfs/dbraw/zinc/98/74/42/822987442.db2.gz CAERBMZMSWLKAP-NRFANRHFSA-N 1 1 381.495 4.096 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ncc(Br)cc1F ZINC000186961611 822987698 /nfs/dbraw/zinc/98/76/98/822987698.db2.gz XKAVVWUNFKJHOP-CYBMUJFWSA-N 1 1 389.272 4.079 20 0 GIADMO CN(CCCc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000175514089 822988228 /nfs/dbraw/zinc/98/82/28/822988228.db2.gz UUWKJBUGBGSOAF-TZIWHRDSSA-N 1 1 385.577 4.405 20 0 GIADMO CN(CCCc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000175514113 822988233 /nfs/dbraw/zinc/98/82/33/822988233.db2.gz UUWKJBUGBGSOAF-PZJWPPBQSA-N 1 1 385.577 4.405 20 0 GIADMO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000175525799 822990801 /nfs/dbraw/zinc/99/08/01/822990801.db2.gz UXPKNMMNGLOZHN-DOTOQJQBSA-N 1 1 380.602 4.371 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186976884 822991016 /nfs/dbraw/zinc/99/10/16/822991016.db2.gz WOWAIAKFHVUDEU-BEFAXECRSA-N 1 1 388.462 4.225 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000175529250 822991705 /nfs/dbraw/zinc/99/17/05/822991705.db2.gz LIUSLCODQFKLNV-QFIPXVFZSA-N 1 1 388.515 4.355 20 0 GIADMO Cc1nc(CCCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000175531881 822992102 /nfs/dbraw/zinc/99/21/02/822992102.db2.gz RUYZVBRVKWVLIZ-KRWDZBQOSA-N 1 1 385.577 4.323 20 0 GIADMO CCN(C(=O)C[N@H+](C)[C@@H](C)c1ccc(OC)cc1)c1nc2ccccc2s1 ZINC000175533249 822992379 /nfs/dbraw/zinc/99/23/79/822992379.db2.gz ISZDGZVEWDWYQU-HNNXBMFYSA-N 1 1 383.517 4.351 20 0 GIADMO CCN(C(=O)C[N@@H+](C)[C@@H](C)c1ccc(OC)cc1)c1nc2ccccc2s1 ZINC000175533249 822992380 /nfs/dbraw/zinc/99/23/80/822992380.db2.gz ISZDGZVEWDWYQU-HNNXBMFYSA-N 1 1 383.517 4.351 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000569980376 822992735 /nfs/dbraw/zinc/99/27/35/822992735.db2.gz HISNJTNXXFTUBY-QGZVFWFLSA-N 1 1 398.551 4.096 20 0 GIADMO COc1cc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000570011526 822996551 /nfs/dbraw/zinc/99/65/51/822996551.db2.gz GDBXXXOYFGOMRC-LJQANCHMSA-N 1 1 397.519 4.128 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000570024612 822998710 /nfs/dbraw/zinc/99/87/10/822998710.db2.gz SLEDIDYUJLJOGE-LJQANCHMSA-N 1 1 380.488 4.105 20 0 GIADMO C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ncc(Br)cc1F ZINC000187021317 822999041 /nfs/dbraw/zinc/99/90/41/822999041.db2.gz ROOROKFRHHFDCH-CYBMUJFWSA-N 1 1 393.304 4.219 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)C1 ZINC000175571078 822999925 /nfs/dbraw/zinc/99/99/25/822999925.db2.gz YXAQBZPIBGONFE-GJZGRUSLSA-N 1 1 387.446 4.020 20 0 GIADMO Cc1cnc([C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)s1 ZINC000175586807 823002629 /nfs/dbraw/zinc/00/26/29/823002629.db2.gz YIBNJYQPPQIADX-UIAACRFSSA-N 1 1 398.576 4.255 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000187043794 823002970 /nfs/dbraw/zinc/00/29/70/823002970.db2.gz NGGKQOCSYALUHE-HHHXNRCGSA-N 1 1 380.513 4.127 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000187043794 823002972 /nfs/dbraw/zinc/00/29/72/823002972.db2.gz NGGKQOCSYALUHE-HHHXNRCGSA-N 1 1 380.513 4.127 20 0 GIADMO Cc1nc(CCCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000175592112 823003449 /nfs/dbraw/zinc/00/34/49/823003449.db2.gz KBKQUWUPGKKBOJ-HZPDHXFCSA-N 1 1 387.549 4.022 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F)CC2 ZINC000570099396 823005722 /nfs/dbraw/zinc/00/57/22/823005722.db2.gz YKRDKOPKWOUBKW-UMVBOHGHSA-N 1 1 379.426 4.081 20 0 GIADMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1nc(-c3ccccc3Cl)cs1)CC2 ZINC000187076019 823007201 /nfs/dbraw/zinc/00/72/01/823007201.db2.gz PGGHTYXRKCGQBX-ZWKOTPCHSA-N 1 1 392.952 4.215 20 0 GIADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000175619962 823008017 /nfs/dbraw/zinc/00/80/17/823008017.db2.gz POLLYPOCMITFMB-QGZVFWFLSA-N 1 1 389.540 4.035 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000175634949 823010360 /nfs/dbraw/zinc/01/03/60/823010360.db2.gz KVQGDKZWSBAFBR-LPHOPBHVSA-N 1 1 387.474 4.159 20 0 GIADMO O=C(Nc1ccc(F)cc1)c1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000570153478 823010909 /nfs/dbraw/zinc/01/09/09/823010909.db2.gz HOJPKWJSFKPVJD-BHIFYINESA-N 1 1 381.495 4.088 20 0 GIADMO COc1cc(C2(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)ccc1C ZINC000570164964 823011610 /nfs/dbraw/zinc/01/16/10/823011610.db2.gz ZDVBAEMETHERPS-SIKLNZKXSA-N 1 1 392.543 4.062 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ncc(Br)cc1F ZINC000187111823 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GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000175655230 823013723 /nfs/dbraw/zinc/01/37/23/823013723.db2.gz APVIHYNFBPQBFK-WBVHZDCISA-N 1 1 390.940 4.256 20 0 GIADMO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ncc(I)s1 ZINC000570204604 823015034 /nfs/dbraw/zinc/01/50/34/823015034.db2.gz ROZYTCINGIDEFJ-GFCCVEGCSA-N 1 1 386.302 4.119 20 0 GIADMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ncc(I)s1 ZINC000570204604 823015038 /nfs/dbraw/zinc/01/50/38/823015038.db2.gz ROZYTCINGIDEFJ-GFCCVEGCSA-N 1 1 386.302 4.119 20 0 GIADMO c1ccc(C[N@@H+]2CCCC[C@@H](CN[C@@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000570205916 823015287 /nfs/dbraw/zinc/01/52/87/823015287.db2.gz ROYWWNGDMQWYSA-DHLKQENFSA-N 1 1 386.543 4.458 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cnc(C(=O)OC)c(Cl)c2)cc1)C(C)C ZINC000570215299 823015998 /nfs/dbraw/zinc/01/59/98/823015998.db2.gz GZQKHXUTSLMMAY-UHFFFAOYSA-N 1 1 389.883 4.004 20 0 GIADMO CN(C(=O)Nc1ccc(OC(F)F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570227916 823016746 /nfs/dbraw/zinc/01/67/46/823016746.db2.gz UBINUWQHVZXNAD-HNNXBMFYSA-N 1 1 393.409 4.165 20 0 GIADMO COc1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000175670297 823016971 /nfs/dbraw/zinc/01/69/71/823016971.db2.gz OLKHZRCXUXTZDY-MRXNPFEDSA-N 1 1 387.911 4.477 20 0 GIADMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000570242306 823018204 /nfs/dbraw/zinc/01/82/04/823018204.db2.gz HQFLLXCGRNLBIU-QGZVFWFLSA-N 1 1 392.503 4.178 20 0 GIADMO O=C(c1coc(-c2ccccc2)n1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000570246955 823018680 /nfs/dbraw/zinc/01/86/80/823018680.db2.gz CXOUUKPJRYSMEL-UHFFFAOYSA-N 1 1 397.478 4.453 20 0 GIADMO C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000570248053 823018910 /nfs/dbraw/zinc/01/89/10/823018910.db2.gz IMLMSJFJOZZRGB-DOTOQJQBSA-N 1 1 393.886 4.030 20 0 GIADMO C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000570248053 823018912 /nfs/dbraw/zinc/01/89/12/823018912.db2.gz IMLMSJFJOZZRGB-DOTOQJQBSA-N 1 1 393.886 4.030 20 0 GIADMO C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000570248702 823019148 /nfs/dbraw/zinc/01/91/48/823019148.db2.gz PNFCOUGEEHPMAS-UHFFFAOYSA-N 1 1 394.647 4.032 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000570275850 823021904 /nfs/dbraw/zinc/02/19/04/823021904.db2.gz QAGMWDRBPNZAHE-OIBXWCBGSA-N 1 1 399.579 4.162 20 0 GIADMO O=C(/C=C/c1ccc[nH]1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000187190765 823023114 /nfs/dbraw/zinc/02/31/14/823023114.db2.gz SYIPPMARCZFXBL-IBDYFIJFSA-N 1 1 377.513 4.005 20 0 GIADMO O=C(/C=C/c1ccc[nH]1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000187190765 823023119 /nfs/dbraw/zinc/02/31/19/823023119.db2.gz SYIPPMARCZFXBL-IBDYFIJFSA-N 1 1 377.513 4.005 20 0 GIADMO Cc1ccc(C[C@H]2CCC[N@H+](Cc3nnnn3-c3c(C)cccc3C)C2)cc1 ZINC000570304714 823024208 /nfs/dbraw/zinc/02/42/08/823024208.db2.gz BVPDXVYTILVVHJ-OAQYLSRUSA-N 1 1 375.520 4.042 20 0 GIADMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3nnnn3-c3c(C)cccc3C)C2)cc1 ZINC000570304714 823024210 /nfs/dbraw/zinc/02/42/10/823024210.db2.gz BVPDXVYTILVVHJ-OAQYLSRUSA-N 1 1 375.520 4.042 20 0 GIADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC000570309428 823024357 /nfs/dbraw/zinc/02/43/57/823024357.db2.gz GFYSOHAYPSHTQB-KRWDZBQOSA-N 1 1 385.483 4.101 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000570314041 823024927 /nfs/dbraw/zinc/02/49/27/823024927.db2.gz FWBNGDPXDDOTLL-IBGZPJMESA-N 1 1 396.275 4.154 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000570314041 823024932 /nfs/dbraw/zinc/02/49/32/823024932.db2.gz FWBNGDPXDDOTLL-IBGZPJMESA-N 1 1 396.275 4.154 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)o1 ZINC000570329820 823026527 /nfs/dbraw/zinc/02/65/27/823026527.db2.gz UUIZYDQPXSDBHL-WMLDXEAASA-N 1 1 391.309 4.495 20 0 GIADMO Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000570379844 823031533 /nfs/dbraw/zinc/03/15/33/823031533.db2.gz XTMQGWHZZVPWLU-IIBYNOLFSA-N 1 1 395.894 4.042 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1Br)c1ccccc1Cl ZINC000175755289 823032589 /nfs/dbraw/zinc/03/25/89/823032589.db2.gz BLIIREOLTLZQDN-HNNXBMFYSA-N 1 1 399.691 4.274 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@H]3CCC(C)(C)C[C@H]3C)CC2)oc1C ZINC000175756535 823032702 /nfs/dbraw/zinc/03/27/02/823032702.db2.gz IQWYIQXYYPTMGX-BEFAXECRSA-N 1 1 390.572 4.017 20 0 GIADMO Cc1sc(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)nc1-c1ccccc1 ZINC000175759187 823033158 /nfs/dbraw/zinc/03/31/58/823033158.db2.gz GNQNOESCHCILGU-NRFANRHFSA-N 1 1 379.529 4.080 20 0 GIADMO Cc1cccc([C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccn2)c1 ZINC000570408779 823034207 /nfs/dbraw/zinc/03/42/07/823034207.db2.gz JGUYUHMVMOBBBQ-UPVQGACJSA-N 1 1 385.511 4.118 20 0 GIADMO Cc1cccc(O[C@H](C)CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000175767949 823035269 /nfs/dbraw/zinc/03/52/69/823035269.db2.gz IYNZLUNTJPMQDR-GOSISDBHSA-N 1 1 399.560 4.133 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000175769497 823035854 /nfs/dbraw/zinc/03/58/54/823035854.db2.gz FJDLGXSFOXOWRU-FQEVSTJZSA-N 1 1 395.572 4.332 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000570421799 823035868 /nfs/dbraw/zinc/03/58/68/823035868.db2.gz IIYJDLZDGJVIER-AZUAARDMSA-N 1 1 396.531 4.294 20 0 GIADMO C[C@@H]1[C@H](NC(=O)Nc2ccccc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000570424334 823035942 /nfs/dbraw/zinc/03/59/42/823035942.db2.gz JLZSXTHTDOROTB-UYAOXDASSA-N 1 1 378.520 4.071 20 0 GIADMO CC(C)c1noc([C@@H](C)[NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)n1 ZINC000570426019 823036470 /nfs/dbraw/zinc/03/64/70/823036470.db2.gz PFECXNNAYMVOTJ-TZMCWYRMSA-N 1 1 387.434 4.000 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC[N@H+]1C ZINC000175771463 823036663 /nfs/dbraw/zinc/03/66/63/823036663.db2.gz CVUGSWFJFLPPGK-LPHOPBHVSA-N 1 1 385.483 4.351 20 0 GIADMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(-c3ccco3)nc3onc(C(C)C)c32)[C@@H](C)C1 ZINC000570430554 823037007 /nfs/dbraw/zinc/03/70/07/823037007.db2.gz GLHVMXLEGLGDJF-GASCZTMLSA-N 1 1 396.491 4.161 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187289564 823037639 /nfs/dbraw/zinc/03/76/39/823037639.db2.gz DTMRAAFZSWSENY-ZFWWWQNUSA-N 1 1 396.409 4.257 20 0 GIADMO Cc1csc(Nc2ccc(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000570439142 823038428 /nfs/dbraw/zinc/03/84/28/823038428.db2.gz SJBLOHIEQKTKPV-INIZCTEOSA-N 1 1 386.565 4.437 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000458440109 823040677 /nfs/dbraw/zinc/04/06/77/823040677.db2.gz USMKYCXGMCFWFO-TZIWHRDSSA-N 1 1 385.577 4.324 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000175800001 823043274 /nfs/dbraw/zinc/04/32/74/823043274.db2.gz XLKFNSNEQFWZGX-LLVKDONJSA-N 1 1 375.259 4.374 20 0 GIADMO Cc1csc([C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)C2CC2)n1 ZINC000458461426 823043470 /nfs/dbraw/zinc/04/34/70/823043470.db2.gz PGPUFACPOXXIQA-OXJNMPFZSA-N 1 1 398.576 4.066 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ncc(Br)cc1F ZINC000187322418 823043415 /nfs/dbraw/zinc/04/34/15/823043415.db2.gz SLEWJOFFCBTLNX-SECBINFHSA-N 1 1 375.188 4.435 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2cccc(Br)c2)C1 ZINC000060564839 823542717 /nfs/dbraw/zinc/54/27/17/823542717.db2.gz ZRBDCJPAERPQJS-IYBDPMFKSA-N 1 1 396.373 4.006 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000123816471 823542888 /nfs/dbraw/zinc/54/28/88/823542888.db2.gz IRHGEVKSSWWUOI-KNQAVFIVSA-N 1 1 399.510 4.105 20 0 GIADMO Cc1ccc2c(C)cc(NCc3cccc(NC(=O)[C@@H]4CCCO4)c3)[nH+]c2c1 ZINC000460937227 823546404 /nfs/dbraw/zinc/54/64/04/823546404.db2.gz HGKCJCNWFNWYQY-NRFANRHFSA-N 1 1 375.472 4.003 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)CSc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123859880 823546653 /nfs/dbraw/zinc/54/66/53/823546653.db2.gz YEIUNXVPFNATDN-QRWLVFNGSA-N 1 1 392.927 4.380 20 0 GIADMO COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000123864348 823547300 /nfs/dbraw/zinc/54/73/00/823547300.db2.gz ZECDNBGCJMYADL-KUHUBIRLSA-N 1 1 394.849 4.050 20 0 GIADMO Cc1cc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1NC(=O)CC(C)C ZINC000460945542 823548055 /nfs/dbraw/zinc/54/80/55/823548055.db2.gz AZBKNVIDCHPMIB-SVFBPWRDSA-N 1 1 399.579 4.457 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)N2CC3(CCC3)[C@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000460948012 823548518 /nfs/dbraw/zinc/54/85/18/823548518.db2.gz IJPCKVOGTRAWBB-KAGYGMCKSA-N 1 1 381.564 4.261 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NC[C@@]2(C)OCCc3sccc32)cc1)C(C)C ZINC000460959642 823551020 /nfs/dbraw/zinc/55/10/20/823551020.db2.gz QQIQUSNGVDBEHY-JOCHJYFZSA-N 1 1 386.561 4.196 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)c1 ZINC000123916351 823551367 /nfs/dbraw/zinc/55/13/67/823551367.db2.gz MYJXOMVHDUHLTB-UHFFFAOYSA-N 1 1 393.834 4.065 20 0 GIADMO C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(Br)c1Cl)c1ccccc1 ZINC000411469795 823578445 /nfs/dbraw/zinc/57/84/45/823578445.db2.gz HKKIPUMFIANEBV-QVKFZJNVSA-N 1 1 386.742 4.312 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460963669 823551769 /nfs/dbraw/zinc/55/17/69/823551769.db2.gz LTOWVSCNTVUPCU-IAGOWNOFSA-N 1 1 395.355 4.333 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460963669 823551774 /nfs/dbraw/zinc/55/17/74/823551774.db2.gz LTOWVSCNTVUPCU-IAGOWNOFSA-N 1 1 395.355 4.333 20 0 GIADMO CCNc1ccc(Cl)cc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000190218110 823551940 /nfs/dbraw/zinc/55/19/40/823551940.db2.gz OEUUJBHOKUUZCT-SFHVURJKSA-N 1 1 385.939 4.366 20 0 GIADMO O=C(CC1CCCC1)N1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411160016 823552844 /nfs/dbraw/zinc/55/28/44/823552844.db2.gz BIQSTRGAQGTIAC-UHFFFAOYSA-N 1 1 385.483 4.095 20 0 GIADMO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411160016 823552846 /nfs/dbraw/zinc/55/28/46/823552846.db2.gz BIQSTRGAQGTIAC-UHFFFAOYSA-N 1 1 385.483 4.095 20 0 GIADMO Cc1c(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)cnn1-c1cc[nH+]cc1 ZINC000123935766 823553137 /nfs/dbraw/zinc/55/31/37/823553137.db2.gz VJFSZEATNRIPGG-KRWDZBQOSA-N 1 1 392.503 4.114 20 0 GIADMO CN(CC1CCCC1)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000060708904 823553581 /nfs/dbraw/zinc/55/35/81/823553581.db2.gz FDWNNJKOTNQLAS-UHFFFAOYSA-N 1 1 385.552 4.038 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(OCc3ccccn3)cc2)c1 ZINC000460976031 823554263 /nfs/dbraw/zinc/55/42/63/823554263.db2.gz HTJXZAJMVQETHI-UHFFFAOYSA-N 1 1 389.499 4.042 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)NC(c2ccccc2)c2ccccc2)on1 ZINC000411172780 823554311 /nfs/dbraw/zinc/55/43/11/823554311.db2.gz NBGLQLLNHKLNPS-NRFANRHFSA-N 1 1 389.499 4.416 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)NC(c2ccccc2)c2ccccc2)on1 ZINC000411172781 823554376 /nfs/dbraw/zinc/55/43/76/823554376.db2.gz NBGLQLLNHKLNPS-OAQYLSRUSA-N 1 1 389.499 4.416 20 0 GIADMO CC(C)c1ccc(C[C@H]2CC[N@@H+](CCC(=O)Nc3cc(N)ccc3F)C2)cc1 ZINC000460976626 823554452 /nfs/dbraw/zinc/55/44/52/823554452.db2.gz CZAZPRZDEBJPRN-GOSISDBHSA-N 1 1 383.511 4.425 20 0 GIADMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](CCC(=O)Nc3cc(N)ccc3F)C2)cc1 ZINC000460976627 823554458 /nfs/dbraw/zinc/55/44/58/823554458.db2.gz CZAZPRZDEBJPRN-SFHVURJKSA-N 1 1 383.511 4.425 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)CCc2ccccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123956041 823555027 /nfs/dbraw/zinc/55/50/27/823555027.db2.gz WAQZWUASAPHJJV-IERDGZPVSA-N 1 1 392.877 4.360 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123956190 823555161 /nfs/dbraw/zinc/55/51/61/823555161.db2.gz CRZDNOUQHIDYIZ-APWZRJJASA-N 1 1 386.923 4.474 20 0 GIADMO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000411201986 823556964 /nfs/dbraw/zinc/55/69/64/823556964.db2.gz UBFZCFYUQXWFNP-IBGZPJMESA-N 1 1 389.503 4.037 20 0 GIADMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000411201986 823556965 /nfs/dbraw/zinc/55/69/65/823556965.db2.gz UBFZCFYUQXWFNP-IBGZPJMESA-N 1 1 389.503 4.037 20 0 GIADMO CCOCCOCC[N@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000190257335 823557074 /nfs/dbraw/zinc/55/70/74/823557074.db2.gz HCROSMOWJJKMHC-GFCCVEGCSA-N 1 1 388.295 4.089 20 0 GIADMO CCOCCOCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000190257335 823557077 /nfs/dbraw/zinc/55/70/77/823557077.db2.gz HCROSMOWJJKMHC-GFCCVEGCSA-N 1 1 388.295 4.089 20 0 GIADMO C[C@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1(F)F ZINC000461012211 823558727 /nfs/dbraw/zinc/55/87/27/823558727.db2.gz KQNNSAQYKZFHKJ-BLLLJJGKSA-N 1 1 390.396 4.029 20 0 GIADMO C(C1CCC2(CC1)OCCO2)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000190285454 823559251 /nfs/dbraw/zinc/55/92/51/823559251.db2.gz UGKFHPJIAFZQHT-KRWDZBQOSA-N 1 1 376.566 4.135 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cn2cccc(C)c2n1 ZINC000124007831 823559491 /nfs/dbraw/zinc/55/94/91/823559491.db2.gz MZJSCKGYWPCWBR-UHFFFAOYSA-N 1 1 379.895 4.388 20 0 GIADMO C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411244697 823559929 /nfs/dbraw/zinc/55/99/29/823559929.db2.gz ILXAPMQTKOFYIG-GEYWLOKFSA-N 1 1 376.504 4.030 20 0 GIADMO C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411244697 823559933 /nfs/dbraw/zinc/55/99/33/823559933.db2.gz ILXAPMQTKOFYIG-GEYWLOKFSA-N 1 1 376.504 4.030 20 0 GIADMO C[C@@H](C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411244697 823559935 /nfs/dbraw/zinc/55/99/35/823559935.db2.gz ILXAPMQTKOFYIG-GEYWLOKFSA-N 1 1 376.504 4.030 20 0 GIADMO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c21 ZINC000124018360 823560274 /nfs/dbraw/zinc/56/02/74/823560274.db2.gz PQYCOFZGMPZHIE-GJZGRUSLSA-N 1 1 396.491 4.161 20 0 GIADMO CC[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000411256178 823560529 /nfs/dbraw/zinc/56/05/29/823560529.db2.gz QKMTYXXHQXASIZ-AWEZNQCLSA-N 1 1 385.895 4.451 20 0 GIADMO Ic1ccccc1[C@@H]1CCC[N@H+]1CCc1cncs1 ZINC000411273010 823561563 /nfs/dbraw/zinc/56/15/63/823561563.db2.gz BRPNJTFQSHOFIQ-HNNXBMFYSA-N 1 1 384.286 4.127 20 0 GIADMO CCC[N@@H+](CCc1cccc(F)c1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000411287230 823562467 /nfs/dbraw/zinc/56/24/67/823562467.db2.gz YZDQXWGTVYGUQV-INIZCTEOSA-N 1 1 385.483 4.066 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccc(N2CCCC2=O)cc1 ZINC000190322943 823562659 /nfs/dbraw/zinc/56/26/59/823562659.db2.gz IVFVOSKFTGGGGN-HNNXBMFYSA-N 1 1 396.441 4.128 20 0 GIADMO CCn1cc(C[N@@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cn1 ZINC000124047464 823562859 /nfs/dbraw/zinc/56/28/59/823562859.db2.gz JDVSKOZZOHHYGH-UHFFFAOYSA-N 1 1 393.466 4.244 20 0 GIADMO CCn1cc(C[N@H+]2CCc3c(cccc3NC(=O)Nc3ccc(F)cc3)C2)cn1 ZINC000124047464 823562864 /nfs/dbraw/zinc/56/28/64/823562864.db2.gz JDVSKOZZOHHYGH-UHFFFAOYSA-N 1 1 393.466 4.244 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccc(-n2cccn2)cc1 ZINC000190325583 823562972 /nfs/dbraw/zinc/56/29/72/823562972.db2.gz JAZIUOVSHOSZHX-OAHLLOKOSA-N 1 1 379.414 4.187 20 0 GIADMO CCN1CC[C@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311871 823564002 /nfs/dbraw/zinc/56/40/02/823564002.db2.gz YHBHEYKNFNNOFA-QMHWCDLVSA-N 1 1 399.604 4.148 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311871 823564003 /nfs/dbraw/zinc/56/40/03/823564003.db2.gz YHBHEYKNFNNOFA-QMHWCDLVSA-N 1 1 399.604 4.148 20 0 GIADMO CCN1CC[C@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311869 823564105 /nfs/dbraw/zinc/56/41/05/823564105.db2.gz YHBHEYKNFNNOFA-GREBRCKQSA-N 1 1 399.604 4.148 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311869 823564109 /nfs/dbraw/zinc/56/41/09/823564109.db2.gz YHBHEYKNFNNOFA-GREBRCKQSA-N 1 1 399.604 4.148 20 0 GIADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(F)c1 ZINC000461048276 823565434 /nfs/dbraw/zinc/56/54/34/823565434.db2.gz VFJSGKGSNXXGAY-LIRRHRJNSA-N 1 1 394.412 4.339 20 0 GIADMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1CCC(C)C ZINC000124076025 823565508 /nfs/dbraw/zinc/56/55/08/823565508.db2.gz QGSTYYVWHBSVHC-WIYYLYMNSA-N 1 1 382.552 4.021 20 0 GIADMO O=C(CC[NH2+][C@H](c1nccs1)c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000411349824 823565810 /nfs/dbraw/zinc/56/58/10/823565810.db2.gz DTSIGPBKRNFHRM-UNMCSNQZSA-N 1 1 391.540 4.406 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCSC[C@@H](C)C1 ZINC000190401833 823569485 /nfs/dbraw/zinc/56/94/85/823569485.db2.gz POANRMKZCRFLMI-QWRGUYRKSA-N 1 1 380.863 4.371 20 0 GIADMO FC(F)COc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124128477 823569956 /nfs/dbraw/zinc/56/99/56/823569956.db2.gz GJXLWEQGVNAZOV-QGZVFWFLSA-N 1 1 390.478 4.028 20 0 GIADMO O=C1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3)CC[C@H]2N1C1CC1 ZINC000411398465 823570232 /nfs/dbraw/zinc/57/02/32/823570232.db2.gz ORNDNKYUVKNFFE-CXAGYDPISA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3)CC[C@H]2N1C1CC1 ZINC000411398465 823570234 /nfs/dbraw/zinc/57/02/34/823570234.db2.gz ORNDNKYUVKNFFE-CXAGYDPISA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c(Br)c3)CC[C@H]2N1C1CC1 ZINC000411399994 823570419 /nfs/dbraw/zinc/57/04/19/823570419.db2.gz SPMHOLXSMBOFCO-CXAGYDPISA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c(Br)c3)CC[C@H]2N1C1CC1 ZINC000411399994 823570421 /nfs/dbraw/zinc/57/04/21/823570421.db2.gz SPMHOLXSMBOFCO-CXAGYDPISA-N 1 1 397.744 4.078 20 0 GIADMO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1nc(-c2ccncc2)cs1 ZINC000124131808 823570503 /nfs/dbraw/zinc/57/05/03/823570503.db2.gz GGIIDOZRHBHMRE-LBPRGKRZSA-N 1 1 387.892 4.481 20 0 GIADMO Clc1c(Br)cccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000411402730 823570610 /nfs/dbraw/zinc/57/06/10/823570610.db2.gz UUGZINNQBBWGPY-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO Clc1c(Br)cccc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000411402730 823570611 /nfs/dbraw/zinc/57/06/11/823570611.db2.gz UUGZINNQBBWGPY-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO CCC1(CC)CCC[N@H+]([C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 ZINC000190415786 823570754 /nfs/dbraw/zinc/57/07/54/823570754.db2.gz RVNJYKUTFSRTKJ-INIZCTEOSA-N 1 1 389.540 4.273 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000411407084 823570987 /nfs/dbraw/zinc/57/09/87/823570987.db2.gz HMAKKUQJXPEADI-HSZRJFAPSA-N 1 1 380.532 4.433 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000411407085 823571039 /nfs/dbraw/zinc/57/10/39/823571039.db2.gz HMAKKUQJXPEADI-QHCPKHFHSA-N 1 1 380.532 4.433 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411413763 823571503 /nfs/dbraw/zinc/57/15/03/823571503.db2.gz AIAGWQDGHSIIRF-MRXNPFEDSA-N 1 1 381.307 4.499 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1cccnc1)Nc1ccc(Br)cc1F ZINC000411419353 823572039 /nfs/dbraw/zinc/57/20/39/823572039.db2.gz OXOAQLSRFHOXHU-KRWDZBQOSA-N 1 1 392.272 4.149 20 0 GIADMO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411433164 823573796 /nfs/dbraw/zinc/57/37/96/823573796.db2.gz XNDGQBLGANORJH-HNAYVOBHSA-N 1 1 392.421 4.496 20 0 GIADMO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411433164 823573797 /nfs/dbraw/zinc/57/37/97/823573797.db2.gz XNDGQBLGANORJH-HNAYVOBHSA-N 1 1 392.421 4.496 20 0 GIADMO CC[C@@H]([NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3)c1ccc(OC)cc1 ZINC000411438382 823574198 /nfs/dbraw/zinc/57/41/98/823574198.db2.gz NFYHRMFYWUQGDH-MRXNPFEDSA-N 1 1 382.533 4.402 20 0 GIADMO CC[C@H]([NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3)c1ccc(OC)cc1 ZINC000411438381 823574227 /nfs/dbraw/zinc/57/42/27/823574227.db2.gz NFYHRMFYWUQGDH-INIZCTEOSA-N 1 1 382.533 4.402 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNCc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000061029112 823574321 /nfs/dbraw/zinc/57/43/21/823574321.db2.gz NENHXXBMEBELBA-FQEVSTJZSA-N 1 1 389.547 4.288 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)c1C ZINC000411442922 823574602 /nfs/dbraw/zinc/57/46/02/823574602.db2.gz HUDOUQNENJUCHT-AAEUAGOBSA-N 1 1 378.419 4.358 20 0 GIADMO Cc1ncsc1CCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000411443250 823574624 /nfs/dbraw/zinc/57/46/24/823574624.db2.gz BTSDXGWPKULHNH-CALCHBBNSA-N 1 1 385.577 4.178 20 0 GIADMO COC(=O)c1cc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccc(C)cc2)cs1 ZINC000411448792 823575638 /nfs/dbraw/zinc/57/56/38/823575638.db2.gz CMTBHIDNQRRKND-QGZVFWFLSA-N 1 1 375.490 4.016 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000190451418 823576373 /nfs/dbraw/zinc/57/63/73/823576373.db2.gz BOGTZNGTVURKJS-CYBMUJFWSA-N 1 1 377.282 4.055 20 0 GIADMO CC[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1c[nH]c2ccccc12 ZINC000190450861 823576396 /nfs/dbraw/zinc/57/63/96/823576396.db2.gz HXMWTFSZWWTXMN-UHFFFAOYSA-N 1 1 393.409 4.174 20 0 GIADMO CC(=O)c1cc(F)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1F ZINC000461102279 823577651 /nfs/dbraw/zinc/57/76/51/823577651.db2.gz IUFNUAUCSPGGJV-HNNXBMFYSA-N 1 1 390.405 4.157 20 0 GIADMO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000190462646 823577925 /nfs/dbraw/zinc/57/79/25/823577925.db2.gz CKEGJSVGBCRMHU-JTQLQIEISA-N 1 1 383.217 4.356 20 0 GIADMO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000411467732 823578303 /nfs/dbraw/zinc/57/83/03/823578303.db2.gz BTRRCDYJEHCCHM-INIZCTEOSA-N 1 1 385.913 4.222 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2OCc2ccccc2Cl)CC[N@H+]1C ZINC000124243383 823580347 /nfs/dbraw/zinc/58/03/47/823580347.db2.gz YTUDZVLXLMSXJN-SJLPKXTDSA-N 1 1 386.923 4.474 20 0 GIADMO O=C(C[N@@H+](C1CC1)C1CCCCC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000061163198 823581630 /nfs/dbraw/zinc/58/16/30/823581630.db2.gz QANNBGVSVNQCFJ-UHFFFAOYSA-N 1 1 378.900 4.237 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1C1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000411500637 823581857 /nfs/dbraw/zinc/58/18/57/823581857.db2.gz RWJLFYVNRRXFME-QHCPKHFHSA-N 1 1 392.543 4.173 20 0 GIADMO CCc1cnccc1[C@H](C)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411503836 823582076 /nfs/dbraw/zinc/58/20/76/823582076.db2.gz LGGQKGLWDHNMDL-LBPRGKRZSA-N 1 1 380.473 4.465 20 0 GIADMO CC(C)C[C@@H]([NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccs1 ZINC000411510579 823582676 /nfs/dbraw/zinc/58/26/76/823582676.db2.gz GJVMQSKVDBOMSH-QGZVFWFLSA-N 1 1 393.516 4.460 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)C2CC2)s1 ZINC000411512700 823582770 /nfs/dbraw/zinc/58/27/70/823582770.db2.gz BOFDLSDYNRDDKX-NRFANRHFSA-N 1 1 395.528 4.314 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190531005 823583674 /nfs/dbraw/zinc/58/36/74/823583674.db2.gz RLWULLHBXQSOAX-MRXNPFEDSA-N 1 1 385.483 4.215 20 0 GIADMO CSc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000411540593 823586622 /nfs/dbraw/zinc/58/66/22/823586622.db2.gz NLYHCCACVUIABS-NVXWUHKLSA-N 1 1 384.501 4.154 20 0 GIADMO CCC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411548162 823587311 /nfs/dbraw/zinc/58/73/11/823587311.db2.gz FEJMGCMLQPDLIA-HNNXBMFYSA-N 1 1 376.522 4.047 20 0 GIADMO COc1ccc(COC[C@H](O)C[N@@H+](Cc2cccc(Cl)c2)C(C)C)cc1 ZINC000061255255 823587529 /nfs/dbraw/zinc/58/75/29/823587529.db2.gz QUOGCFOMRXDEOY-HXUWFJFHSA-N 1 1 377.912 4.137 20 0 GIADMO CC[NH+](CC)[C@H](C(=O)Nc1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1 ZINC000124330093 823587841 /nfs/dbraw/zinc/58/78/41/823587841.db2.gz VHIXIKPUNNCWFN-IBGZPJMESA-N 1 1 394.437 4.262 20 0 GIADMO Cc1ccc(-c2cc(C(=O)Nc3ccccc3C[NH+]3CCSCC3)on2)cc1 ZINC000061284975 823589412 /nfs/dbraw/zinc/58/94/12/823589412.db2.gz VIKWTILZFDEWKK-UHFFFAOYSA-N 1 1 393.512 4.451 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cnc(Cl)c(Cl)c1 ZINC000061285554 823589563 /nfs/dbraw/zinc/58/95/63/823589563.db2.gz YMTJJPGHUPDYDX-UHFFFAOYSA-N 1 1 382.316 4.190 20 0 GIADMO COC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000061286132 823589623 /nfs/dbraw/zinc/58/96/23/823589623.db2.gz VLZRSAWSEPLENJ-QGZVFWFLSA-N 1 1 395.503 4.027 20 0 GIADMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(-c2ncco2)cc1F)c1cccc(OC)c1 ZINC000411613019 823590908 /nfs/dbraw/zinc/59/09/08/823590908.db2.gz PGKKCHXKBNXGSA-JOCHJYFZSA-N 1 1 398.434 4.057 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000124383853 823592223 /nfs/dbraw/zinc/59/22/23/823592223.db2.gz WPLIZCLJUYVJRK-FQEVSTJZSA-N 1 1 393.531 4.373 20 0 GIADMO CC[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000061349707 823592915 /nfs/dbraw/zinc/59/29/15/823592915.db2.gz BQVXFNKDNSBKAM-UNMCSNQZSA-N 1 1 381.520 4.110 20 0 GIADMO C[C@@H](OC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000061394729 823594915 /nfs/dbraw/zinc/59/49/15/823594915.db2.gz RLVRECYPFFKOHH-BRWVUGGUSA-N 1 1 398.459 4.122 20 0 GIADMO Cc1ccccc1-n1ncc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1C(C)C ZINC000190647886 823595017 /nfs/dbraw/zinc/59/50/17/823595017.db2.gz MLPCOODYBZKEJM-IBGZPJMESA-N 1 1 382.552 4.154 20 0 GIADMO CSc1ccccc1NC(=O)CC[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000411665294 823595661 /nfs/dbraw/zinc/59/56/61/823595661.db2.gz SLIWZYPMKXSBGM-OAHLLOKOSA-N 1 1 399.343 4.367 20 0 GIADMO C[C@H](CO)[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)CC1CCC1 ZINC000411666591 823596011 /nfs/dbraw/zinc/59/60/11/823596011.db2.gz MLHPWPBIOIMGHL-CQSZACIVSA-N 1 1 383.517 4.047 20 0 GIADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000124430426 823596130 /nfs/dbraw/zinc/59/61/30/823596130.db2.gz NCNPWLKVDNEDAA-LBPRGKRZSA-N 1 1 395.450 4.043 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cn2ccc(Br)cc2n1 ZINC000461194525 823596359 /nfs/dbraw/zinc/59/63/59/823596359.db2.gz JUMADPMQUBVPKG-UHFFFAOYSA-N 1 1 389.297 4.073 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NCc3cc(-c4ccco4)on3)CC[N@@H+]2C2CC2)c1 ZINC000411688425 823596955 /nfs/dbraw/zinc/59/69/55/823596955.db2.gz CLLHNWDSFGMZFM-SIKLNZKXSA-N 1 1 379.460 4.011 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NCc3cc(-c4ccco4)on3)CC[N@H+]2C2CC2)c1 ZINC000411688425 823596961 /nfs/dbraw/zinc/59/69/61/823596961.db2.gz CLLHNWDSFGMZFM-SIKLNZKXSA-N 1 1 379.460 4.011 20 0 GIADMO Fc1ccc(C[N@H+]2CCCN(Cc3csc(-c4ccccn4)n3)CC2)cc1 ZINC000124444819 823597456 /nfs/dbraw/zinc/59/74/56/823597456.db2.gz KZWSWAZRRRBRKI-UHFFFAOYSA-N 1 1 382.508 4.052 20 0 GIADMO 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C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461456966 823641479 /nfs/dbraw/zinc/64/14/79/823641479.db2.gz OLIHOQPAPUJPDU-STZQEDGTSA-N 1 1 396.962 4.499 20 0 GIADMO O=C(c1cccc(Cc2ccccc2)c1)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000412271918 823642036 /nfs/dbraw/zinc/64/20/36/823642036.db2.gz OZTNGZIQPLICAK-JOCHJYFZSA-N 1 1 385.511 4.440 20 0 GIADMO CCc1csc([C@@H]2CCC[N@H+](Cc3nnc(Cc4ccccc4C)o3)C2)n1 ZINC000124987543 823642956 /nfs/dbraw/zinc/64/29/56/823642956.db2.gz RRYAMHFZJSVRLI-QGZVFWFLSA-N 1 1 382.533 4.367 20 0 GIADMO CCc1csc([C@@H]2CCC[N@@H+](Cc3nnc(Cc4ccccc4C)o3)C2)n1 ZINC000124987543 823642960 /nfs/dbraw/zinc/64/29/60/823642960.db2.gz RRYAMHFZJSVRLI-QGZVFWFLSA-N 1 1 382.533 4.367 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Cl)s1 ZINC000461467432 823643129 /nfs/dbraw/zinc/64/31/29/823643129.db2.gz PAZDPBARRMVZIR-INIZCTEOSA-N 1 1 390.936 4.003 20 0 GIADMO CN(C)c1cccc(CCC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000461468457 823643249 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GIADMO Cc1ccsc1-c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1Cc1cccs1 ZINC000461505877 823650503 /nfs/dbraw/zinc/65/05/03/823650503.db2.gz GUKRVTNCSGCTIK-JKSUJKDBSA-N 1 1 399.589 4.098 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccccc1OCC(=O)N(C)C ZINC000125085138 823650765 /nfs/dbraw/zinc/65/07/65/823650765.db2.gz OLHIQCUWPMKCTK-IFXJQAMLSA-N 1 1 376.447 4.234 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)[C@H](C)C1 ZINC000461509562 823651169 /nfs/dbraw/zinc/65/11/69/823651169.db2.gz RTEIIYFGFGGUMS-CRAIPNDOSA-N 1 1 399.564 4.123 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CC(c3cccc(Cl)c3)C2)[C@H](C(F)(F)F)C1 ZINC000412384299 823651395 /nfs/dbraw/zinc/65/13/95/823651395.db2.gz AMKRGHQLGNIQBI-HZPDHXFCSA-N 1 1 388.861 4.175 20 0 GIADMO CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000125132165 823654027 /nfs/dbraw/zinc/65/40/27/823654027.db2.gz SLUCXOIRUHHYSE-YSGRDPCXSA-N 1 1 384.524 4.095 20 0 GIADMO Cc1cccc(NC(=S)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1C ZINC000063173895 823654057 /nfs/dbraw/zinc/65/40/57/823654057.db2.gz GTOAPSXBIVDVOZ-KRWDZBQOSA-N 1 1 383.561 4.011 20 0 GIADMO Cc1cccc(NC(=S)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1C ZINC000063173895 823654059 /nfs/dbraw/zinc/65/40/59/823654059.db2.gz GTOAPSXBIVDVOZ-KRWDZBQOSA-N 1 1 383.561 4.011 20 0 GIADMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000191154456 823654375 /nfs/dbraw/zinc/65/43/75/823654375.db2.gz VIKYIUCSNFWZRS-HZPDHXFCSA-N 1 1 383.923 4.472 20 0 GIADMO C[C@@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000412417219 823654438 /nfs/dbraw/zinc/65/44/38/823654438.db2.gz KEJRZAKQBQWBQT-RYGJVYDSSA-N 1 1 390.449 4.201 20 0 GIADMO COc1cc(C[N@@H+](C)CC2CC(O)C2)ccc1OCc1ccc(Cl)cc1 ZINC000191159248 823654751 /nfs/dbraw/zinc/65/47/51/823654751.db2.gz OWNRLHMGTRHMGJ-UHFFFAOYSA-N 1 1 375.896 4.130 20 0 GIADMO C[C@H]1[C@H](NC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000461531553 823654826 /nfs/dbraw/zinc/65/48/26/823654826.db2.gz IVHPEQPPCLBBCB-GDAAHCPNSA-N 1 1 397.485 4.412 20 0 GIADMO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)CC2CC(O)C2)cc1 ZINC000191167025 823655441 /nfs/dbraw/zinc/65/54/41/823655441.db2.gz CTGBCLZPFXUTMI-UHFFFAOYSA-N 1 1 375.516 4.110 20 0 GIADMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000125166224 823656336 /nfs/dbraw/zinc/65/63/36/823656336.db2.gz QLHHDVVJIBZSEH-QGZVFWFLSA-N 1 1 382.504 4.364 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000125166224 823656338 /nfs/dbraw/zinc/65/63/38/823656338.db2.gz QLHHDVVJIBZSEH-QGZVFWFLSA-N 1 1 382.504 4.364 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000063258266 823657569 /nfs/dbraw/zinc/65/75/69/823657569.db2.gz BLUCUMZVBNYSLQ-OAQYLSRUSA-N 1 1 391.471 4.424 20 0 GIADMO COCCN(C)c1ccc(C[NH+](Cc2cccs2)Cc2cccs2)cn1 ZINC000191187878 823657624 /nfs/dbraw/zinc/65/76/24/823657624.db2.gz CLEBDCKLERSPMZ-UHFFFAOYSA-N 1 1 387.574 4.490 20 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Brc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000126009428 823765846 /nfs/dbraw/zinc/76/58/46/823765846.db2.gz BDGUJUWBDFHWEM-GOSISDBHSA-N 1 1 383.293 4.367 20 0 GIADMO O=C(c1ccc2ncccc2c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000126010749 823765872 /nfs/dbraw/zinc/76/58/72/823765872.db2.gz KXSDOSQIJCWYHM-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1ccc2ncccc2c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000126010749 823765875 /nfs/dbraw/zinc/76/58/75/823765875.db2.gz KXSDOSQIJCWYHM-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO CC[C@H](C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000574562335 823767470 /nfs/dbraw/zinc/76/74/70/823767470.db2.gz CIHPWJCCVHZCDM-WZONZLPQSA-N 1 1 390.531 4.269 20 0 GIADMO CC[C@@H](C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000574562334 823767655 /nfs/dbraw/zinc/76/76/55/823767655.db2.gz CIHPWJCCVHZCDM-MBSDFSHPSA-N 1 1 390.531 4.269 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)CC1 ZINC000126025265 823768859 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GIADMO Cc1nn(C)c2ncc(C[N@H+]3CCC[C@H]3c3ccccc3Br)cc12 ZINC000126055642 823777035 /nfs/dbraw/zinc/77/70/35/823777035.db2.gz SZRVWLLNGPYTRZ-SFHVURJKSA-N 1 1 385.309 4.376 20 0 GIADMO CC(C)[C@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000574601801 823777045 /nfs/dbraw/zinc/77/70/45/823777045.db2.gz JSLXSJGXJXYYQK-NRFANRHFSA-N 1 1 377.479 4.177 20 0 GIADMO COc1ccc(CN(C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000413434317 823777314 /nfs/dbraw/zinc/77/73/14/823777314.db2.gz DKTULEXOBWOJLY-WBVHZDCISA-N 1 1 393.959 4.143 20 0 GIADMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc(Cl)c1OC ZINC000574606310 823778822 /nfs/dbraw/zinc/77/88/22/823778822.db2.gz KIYRIOLQRSZDJN-GGPKGHCWSA-N 1 1 387.907 4.362 20 0 GIADMO OC[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000574606153 823778988 /nfs/dbraw/zinc/77/89/88/823778988.db2.gz FWQLKJQSRYWKJK-OALUTQOASA-N 1 1 379.422 4.258 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1Cl ZINC000574606115 823779065 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377.315 4.315 20 0 GIADMO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000461987258 823784498 /nfs/dbraw/zinc/78/44/98/823784498.db2.gz UZUBPBYIVUJNGM-KUHUBIRLSA-N 1 1 377.315 4.315 20 0 GIADMO CCc1nc(C)c([C@H](C)[NH2+][C@@H](CCSC)c2nnc3ccccn32)s1 ZINC000164195200 823785562 /nfs/dbraw/zinc/78/55/62/823785562.db2.gz BVKHSHGDWMHHFM-JSGCOSHPSA-N 1 1 375.567 4.202 20 0 GIADMO CCc1nc(C)c([C@H](C)[NH2+][C@H](CCSC)c2nnc3ccccn32)s1 ZINC000164195434 823785577 /nfs/dbraw/zinc/78/55/77/823785577.db2.gz BVKHSHGDWMHHFM-GXTWGEPZSA-N 1 1 375.567 4.202 20 0 GIADMO CCn1ccc(CNc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)n1 ZINC000413486545 823786430 /nfs/dbraw/zinc/78/64/30/823786430.db2.gz BGSJXZAYDMAYQH-UHFFFAOYSA-N 1 1 392.532 4.248 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)cn1 ZINC000126105473 823789238 /nfs/dbraw/zinc/78/92/38/823789238.db2.gz DBBZNVVXOFXOJD-KRWDZBQOSA-N 1 1 391.519 4.130 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000461999095 823789722 /nfs/dbraw/zinc/78/97/22/823789722.db2.gz BJZGQLDSCHNLNZ-RXVVDRJESA-N 1 1 382.552 4.225 20 0 GIADMO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)o1 ZINC000164260454 823791047 /nfs/dbraw/zinc/79/10/47/823791047.db2.gz FIPMZBHYZQGCKV-OAHLLOKOSA-N 1 1 386.473 4.030 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(CC)Cc1cccc(-c2ccncc2)c1 ZINC000462011379 823793702 /nfs/dbraw/zinc/79/37/02/823793702.db2.gz QNPPFHRHWOWJQV-LJQANCHMSA-N 1 1 382.552 4.401 20 0 GIADMO CCc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000574666365 823795164 /nfs/dbraw/zinc/79/51/64/823795164.db2.gz DUVSXEURTSFYDD-FXAWDEMLSA-N 1 1 389.499 4.297 20 0 GIADMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000462019772 823796763 /nfs/dbraw/zinc/79/67/63/823796763.db2.gz ZWZPHXUAKYDGGH-YKSBVNFPSA-N 1 1 392.543 4.105 20 0 GIADMO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000462019772 823796770 /nfs/dbraw/zinc/79/67/70/823796770.db2.gz ZWZPHXUAKYDGGH-YKSBVNFPSA-N 1 1 392.543 4.105 20 0 GIADMO CC(C)c1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n(-c2ccccc2)n1 ZINC000574675174 823797278 /nfs/dbraw/zinc/79/72/78/823797278.db2.gz GUOGYZOOCIHWOH-QUCCMNQESA-N 1 1 395.551 4.475 20 0 GIADMO C[C@@H]1[C@@H](CO)CCCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000413582895 823800589 /nfs/dbraw/zinc/80/05/89/823800589.db2.gz ATHQFZAUNHNJRK-NVXWUHKLSA-N 1 1 396.560 4.017 20 0 GIADMO O=C(NN=C1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc2cccnc21 ZINC000064366392 823801621 /nfs/dbraw/zinc/80/16/21/823801621.db2.gz KTJIWJIGTDPSMI-UHFFFAOYSA-N 1 1 392.890 4.270 20 0 GIADMO O=C(c1ccccc1NCc1ccco1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000126163081 823802915 /nfs/dbraw/zinc/80/29/15/823802915.db2.gz XXCKFPWDCSPMAX-UHFFFAOYSA-N 1 1 389.499 4.240 20 0 GIADMO Fc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)c1 ZINC000064377975 823804772 /nfs/dbraw/zinc/80/47/72/823804772.db2.gz MWZZZGJHXWFDAX-ZDUSSCGKSA-N 1 1 381.517 4.225 20 0 GIADMO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H](c3c(Cl)cccc3Cl)C3CC3)[C@@H]2C1 ZINC000462038181 823806778 /nfs/dbraw/zinc/80/67/78/823806778.db2.gz FITSAZQLXQFRAY-NJAPINKUSA-N 1 1 382.335 4.180 20 0 GIADMO FC(F)c1nccnc1NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000574717962 823807893 /nfs/dbraw/zinc/80/78/93/823807893.db2.gz KMSBUQUFFCSZMO-INIZCTEOSA-N 1 1 386.471 4.109 20 0 GIADMO FC(F)c1nccnc1NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000574717962 823807897 /nfs/dbraw/zinc/80/78/97/823807897.db2.gz KMSBUQUFFCSZMO-INIZCTEOSA-N 1 1 386.471 4.109 20 0 GIADMO CN(Cc1ccc2ccccc2c1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000462041062 823808200 /nfs/dbraw/zinc/80/82/00/823808200.db2.gz PZSWGEUSOVQURZ-XMMPIXPASA-N 1 1 388.511 4.089 20 0 GIADMO CN(Cc1ccc2ccccc2c1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000462041062 823808208 /nfs/dbraw/zinc/80/82/08/823808208.db2.gz PZSWGEUSOVQURZ-XMMPIXPASA-N 1 1 388.511 4.089 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc(Oc4ccccc4)ccc3O)n1)OC2 ZINC000574724225 823810216 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C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561689 823853414 /nfs/dbraw/zinc/85/34/14/823853414.db2.gz WAUMJAWNJRGPNS-RNHFSVANSA-N 1 1 388.559 4.417 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1nc2ccccc2s1 ZINC000064624009 823853934 /nfs/dbraw/zinc/85/39/34/823853934.db2.gz ZZUMHQQTVBNTOP-CQSZACIVSA-N 1 1 386.546 4.392 20 0 GIADMO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1-c1ccccn1 ZINC000165615549 823855195 /nfs/dbraw/zinc/85/51/95/823855195.db2.gz NAUUEERNSFOREM-HXUWFJFHSA-N 1 1 399.494 4.382 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[C@H]1Cc1ccccc1 ZINC000064644071 823856633 /nfs/dbraw/zinc/85/66/33/823856633.db2.gz YKKICRKONRWSOH-RTWAWAEBSA-N 1 1 397.588 4.377 20 0 GIADMO Cc1csc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1Br ZINC000192090426 823856902 /nfs/dbraw/zinc/85/69/02/823856902.db2.gz MVHBGNCVKZILNE-CHWSQXEVSA-N 1 1 385.371 4.202 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462181445 823857240 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C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000462193095 823863077 /nfs/dbraw/zinc/86/30/77/823863077.db2.gz VNFPECWCSBKNOC-UZLBHIALSA-N 1 1 390.449 4.432 20 0 GIADMO C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(Br)c1 ZINC000462195975 823864662 /nfs/dbraw/zinc/86/46/62/823864662.db2.gz NQCNPJQMGRNNOX-WWTUQBGBSA-N 1 1 397.332 4.213 20 0 GIADMO CC(=O)NCC[C@H]1CCC[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000574944181 823867464 /nfs/dbraw/zinc/86/74/64/823867464.db2.gz FWONOIZJZHGCIO-GOSISDBHSA-N 1 1 386.486 4.335 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCc3cc(F)ccc3F)cc2)C1 ZINC000064720208 823871192 /nfs/dbraw/zinc/87/11/92/823871192.db2.gz BVONIINTDKPHAR-QGZVFWFLSA-N 1 1 386.486 4.446 20 0 GIADMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000574962414 823873516 /nfs/dbraw/zinc/87/35/16/823873516.db2.gz RWTOSSHBOTWPLA-KNQAVFIVSA-N 1 1 378.516 4.271 20 0 GIADMO O=C(NC[C@H](Cc1ccccc1)c1ccccc1)c1cc(C[NH+]2CCCC2)on1 ZINC000462212998 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Cc1ccc([C@@H]2CCCN2C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000064754443 823881033 /nfs/dbraw/zinc/88/10/33/823881033.db2.gz LZDYVTCAVOLVGN-ZVDOUQERSA-N 1 1 387.568 4.038 20 0 GIADMO COc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C(C)C)c(Br)c1 ZINC000574995008 823882125 /nfs/dbraw/zinc/88/21/25/823882125.db2.gz SLUSAWIBGXJZOI-KZULUSFZSA-N 1 1 378.314 4.025 20 0 GIADMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000575006491 823885048 /nfs/dbraw/zinc/88/50/48/823885048.db2.gz AJRSSJSPRDDVAA-ICDZXHCJSA-N 1 1 397.559 4.209 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000064800179 823887493 /nfs/dbraw/zinc/88/74/93/823887493.db2.gz IKZNVUSHWUKBTO-CALCHBBNSA-N 1 1 387.593 4.492 20 0 GIADMO O=C(NCc1ccc(C2CC2)cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000192171952 823890719 /nfs/dbraw/zinc/89/07/19/823890719.db2.gz DNMHTSJCVQSYGO-UHFFFAOYSA-N 1 1 381.545 4.435 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000462244959 823893928 /nfs/dbraw/zinc/89/39/28/823893928.db2.gz IOARBRYIGHOXKV-UHFFFAOYSA-N 1 1 385.483 4.037 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)s1 ZINC000414049040 823895057 /nfs/dbraw/zinc/89/50/57/823895057.db2.gz FGYADGNNJBFIMT-LSDHHAIUSA-N 1 1 393.578 4.115 20 0 GIADMO COC(=O)c1cnc([C@H](C)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000414049040 823895062 /nfs/dbraw/zinc/89/50/62/823895062.db2.gz FGYADGNNJBFIMT-LSDHHAIUSA-N 1 1 393.578 4.115 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167774598 823895242 /nfs/dbraw/zinc/89/52/42/823895242.db2.gz PQCQTOVQTYXUBJ-UONOGXRCSA-N 1 1 378.438 4.477 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(F)c(Br)cc1Cl ZINC000575035246 823895605 /nfs/dbraw/zinc/89/56/05/823895605.db2.gz XFUOFDLLWCCMDC-SNVBAGLBSA-N 1 1 379.701 4.092 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)cc21 ZINC000462247966 823896790 /nfs/dbraw/zinc/89/67/90/823896790.db2.gz PXBKVXXRLGJDCQ-DYESRHJHSA-N 1 1 391.519 4.259 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000167919838 823898062 /nfs/dbraw/zinc/89/80/62/823898062.db2.gz DVCORCKJBCEICR-NHYWBVRUSA-N 1 1 381.293 4.489 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)ccc1OC(F)F ZINC000167940619 823898604 /nfs/dbraw/zinc/89/86/04/823898604.db2.gz CCZOUYAKFOSNEW-GXTWGEPZSA-N 1 1 380.439 4.197 20 0 GIADMO COc1cc(Cl)c(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000575066485 823902729 /nfs/dbraw/zinc/90/27/29/823902729.db2.gz UICVJBPRRFGSOU-KDOFPFPSSA-N 1 1 377.916 4.138 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@@H]2CCCS2)n1C1CC1 ZINC000575066826 823903042 /nfs/dbraw/zinc/90/30/42/823903042.db2.gz HIKOIJSCLIUJNM-QUCCMNQESA-N 1 1 397.592 4.139 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)COc2ccccc2C(F)(F)F)s1 ZINC000414077592 823903325 /nfs/dbraw/zinc/90/33/25/823903325.db2.gz RFNMHPAEKMQNMM-MNOVXSKESA-N 1 1 388.411 4.067 20 0 GIADMO COc1cc(Cl)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000575066486 823903410 /nfs/dbraw/zinc/90/34/10/823903410.db2.gz UICVJBPRRFGSOU-KSSFIOAISA-N 1 1 377.916 4.138 20 0 GIADMO Clc1cccc([C@@H]2CCC[C@H]([NH2+]C3CCN(C[C@@H]4CCOC4)CC3)C2)c1 ZINC000414079027 823903703 /nfs/dbraw/zinc/90/37/03/823903703.db2.gz BQTPIXSOWRAAPN-KPLVRAHFSA-N 1 1 376.972 4.457 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462262600 823904334 /nfs/dbraw/zinc/90/43/34/823904334.db2.gz MEDMBQLMMLRCQY-RDJZCZTQSA-N 1 1 389.446 4.238 20 0 GIADMO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(Br)c1 ZINC000168812763 823906257 /nfs/dbraw/zinc/90/62/57/823906257.db2.gz QRPWCBWATOWWSF-QGZVFWFLSA-N 1 1 391.309 4.308 20 0 GIADMO Cc1cc(CNC(=O)N2C[C@@H](C(C)C)c3ccccc32)cc(N2CCCC2)[nH+]1 ZINC000462267608 823906359 /nfs/dbraw/zinc/90/63/59/823906359.db2.gz ODENBCFEAKJTSL-FQEVSTJZSA-N 1 1 378.520 4.460 20 0 GIADMO COC(=O)c1cnc([C@H](C)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)s1 ZINC000414091322 823907026 /nfs/dbraw/zinc/90/70/26/823907026.db2.gz DELWHCMEGJDUBN-AWEZNQCLSA-N 1 1 384.505 4.471 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1csc(-c2ccccc2)n1 ZINC000414093101 823907540 /nfs/dbraw/zinc/90/75/40/823907540.db2.gz MAZBARLNFLYBMM-APWZRJJASA-N 1 1 377.513 4.262 20 0 GIADMO Cc1cc(CNC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000462271359 823908273 /nfs/dbraw/zinc/90/82/73/823908273.db2.gz SRWUYHKWKIDCOO-IVZQSRNASA-N 1 1 398.938 4.378 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)c1 ZINC000414115040 823912933 /nfs/dbraw/zinc/91/29/33/823912933.db2.gz MKYUVUOJXBMABS-QZTJIDSGSA-N 1 1 385.527 4.306 20 0 GIADMO CCCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000462304208 823917416 /nfs/dbraw/zinc/91/74/16/823917416.db2.gz CZJAECQWCUNTRE-FXAWDEMLSA-N 1 1 392.590 4.062 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C/C=C\c2ccc(Br)cc2)s1 ZINC000414146511 823917970 /nfs/dbraw/zinc/91/79/70/823917970.db2.gz LLKNKHMAEGLHFI-BYCRGOAPSA-N 1 1 381.295 4.056 20 0 GIADMO C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cc2n(n1)CCC2 ZINC000414159239 823920708 /nfs/dbraw/zinc/92/07/08/823920708.db2.gz YFTNGHLUBLYFRL-HFRGRHLUSA-N 1 1 386.543 4.148 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)c1cc2n(n1)CCC2 ZINC000414159239 823920719 /nfs/dbraw/zinc/92/07/19/823920719.db2.gz YFTNGHLUBLYFRL-HFRGRHLUSA-N 1 1 386.543 4.148 20 0 GIADMO C[N@@H+]1CC=C(CNC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC1 ZINC000462312813 823921552 /nfs/dbraw/zinc/92/15/52/823921552.db2.gz DZTLUVOLMFPXGD-GOSISDBHSA-N 1 1 397.485 4.224 20 0 GIADMO C[N@H+](Cc1cccc(OC(F)F)c1)C[C@H](O)c1cccc(Br)c1 ZINC000064992356 823922004 /nfs/dbraw/zinc/92/20/04/823922004.db2.gz HMJUXXCMPFFNQS-INIZCTEOSA-N 1 1 386.236 4.216 20 0 GIADMO C[C@H]1C[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186235 823924577 /nfs/dbraw/zinc/92/45/77/823924577.db2.gz PJYRXANXZBUTGV-KEIZBESESA-N 1 1 390.506 4.286 20 0 GIADMO C[C@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186235 823924579 /nfs/dbraw/zinc/92/45/79/823924579.db2.gz PJYRXANXZBUTGV-KEIZBESESA-N 1 1 390.506 4.286 20 0 GIADMO CCN(c1ccccc1)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000170644469 823925129 /nfs/dbraw/zinc/92/51/29/823925129.db2.gz IVGKCKOAUHQUFH-QHCPKHFHSA-N 1 1 384.483 4.032 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000170647142 823925381 /nfs/dbraw/zinc/92/53/81/823925381.db2.gz SRJMVSOSVKOAAU-QGZVFWFLSA-N 1 1 383.492 4.221 20 0 GIADMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc(F)cc2c1OCOC2 ZINC000170647085 823925563 /nfs/dbraw/zinc/92/55/63/823925563.db2.gz ROLBDISCXHALGF-UHFFFAOYSA-N 1 1 382.435 4.412 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000170647556 823925682 /nfs/dbraw/zinc/92/56/82/823925682.db2.gz FSIGJYCKUPINQX-OAHLLOKOSA-N 1 1 388.537 4.233 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000170647556 823925693 /nfs/dbraw/zinc/92/56/93/823925693.db2.gz FSIGJYCKUPINQX-OAHLLOKOSA-N 1 1 388.537 4.233 20 0 GIADMO Brc1ccc(N2CC[C@H]([NH2+][C@H](c3ncc[nH]3)c3ccccc3)C2)cc1 ZINC000126682780 823926180 /nfs/dbraw/zinc/92/61/80/823926180.db2.gz YDUFYYUAZAFOND-HKUYNNGSSA-N 1 1 397.320 4.130 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000170647982 823926328 /nfs/dbraw/zinc/92/63/28/823926328.db2.gz HEKHWWPOSWOVJU-CQSZACIVSA-N 1 1 391.899 4.342 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000170647982 823926338 /nfs/dbraw/zinc/92/63/38/823926338.db2.gz HEKHWWPOSWOVJU-CQSZACIVSA-N 1 1 391.899 4.342 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000170647742 823926827 /nfs/dbraw/zinc/92/68/27/823926827.db2.gz YSWVCTRHZNLXLV-CQSZACIVSA-N 1 1 391.899 4.342 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)c1 ZINC000414207056 823928467 /nfs/dbraw/zinc/92/84/67/823928467.db2.gz GPQMPYKKAHPQQY-ZDUSSCGKSA-N 1 1 397.924 4.002 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(OC)cc1 ZINC000126698574 823930088 /nfs/dbraw/zinc/93/00/88/823930088.db2.gz REGKDEKBLGABJT-HTAPYJJXSA-N 1 1 385.527 4.388 20 0 GIADMO CCCOc1ccc(Br)cc1CN1CCC2(CCC[N@H+]2C)CC1 ZINC000462337792 823930136 /nfs/dbraw/zinc/93/01/36/823930136.db2.gz FCGUDPXGRKETMW-UHFFFAOYSA-N 1 1 381.358 4.298 20 0 GIADMO CNc1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000575175784 823931810 /nfs/dbraw/zinc/93/18/10/823931810.db2.gz RCAQDJXLOZSCPX-SFTDATJTSA-N 1 1 399.922 4.098 20 0 GIADMO COc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(Cl)c(OC)c1 ZINC000414223148 823932403 /nfs/dbraw/zinc/93/24/03/823932403.db2.gz PIZKYFUJAUWLQD-YOEHRIQHSA-N 1 1 375.900 4.075 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](CCc1ncc(C)cc1C)C(C)C ZINC000575177903 823932465 /nfs/dbraw/zinc/93/24/65/823932465.db2.gz DIZZTMCJZVSPGM-LJQANCHMSA-N 1 1 388.577 4.113 20 0 GIADMO O=C(c1cccnc1Sc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126720402 823935082 /nfs/dbraw/zinc/93/50/82/823935082.db2.gz RWJMMDNJUOUXJQ-DYESRHJHSA-N 1 1 393.556 4.322 20 0 GIADMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000126741573 823939382 /nfs/dbraw/zinc/93/93/82/823939382.db2.gz FNKRQHMZOBAAMA-CBQGHPETSA-N 1 1 377.463 4.166 20 0 GIADMO O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000575212571 823940284 /nfs/dbraw/zinc/94/02/84/823940284.db2.gz FDDVARRMCIAZHH-FVQBIDKESA-N 1 1 382.291 4.169 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCCOCc2ccccc2)CC1 ZINC000065099891 823942040 /nfs/dbraw/zinc/94/20/40/823942040.db2.gz DFDZYLYZDITNHV-UHFFFAOYSA-N 1 1 380.532 4.026 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000170693929 823942100 /nfs/dbraw/zinc/94/21/00/823942100.db2.gz HDHKHDRVPRNZNP-VXKWHMMOSA-N 1 1 387.568 4.060 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000170693931 823942365 /nfs/dbraw/zinc/94/23/65/823942365.db2.gz HDHKHDRVPRNZNP-FCHUYYIVSA-N 1 1 387.568 4.060 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(N(C)C)c(Cl)c3)CC2)cs1 ZINC000170694763 823942747 /nfs/dbraw/zinc/94/27/47/823942747.db2.gz UTWQBHZJAQETSH-UHFFFAOYSA-N 1 1 392.956 4.022 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cc(N2CCCC2)[nH+]1 ZINC000575226557 823946581 /nfs/dbraw/zinc/94/65/81/823946581.db2.gz ZELQMPKSCSIWIV-KSFYIVLOSA-N 1 1 396.510 4.422 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000065140822 823950559 /nfs/dbraw/zinc/95/05/59/823950559.db2.gz SDLOFKCSVVYJPQ-QAPCUYQASA-N 1 1 392.421 4.036 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1 ZINC000192338166 823951546 /nfs/dbraw/zinc/95/15/46/823951546.db2.gz MPSBWXNOQKZQJW-SFHVURJKSA-N 1 1 383.540 4.095 20 0 GIADMO Cc1csc(C(=O)Nc2c(C)cnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000575324755 823955689 /nfs/dbraw/zinc/95/56/89/823955689.db2.gz XKMIPVQFRXDKML-SFHVURJKSA-N 1 1 380.517 4.261 20 0 GIADMO COc1ccc2c(c1)C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)CC2 ZINC000065164333 823955922 /nfs/dbraw/zinc/95/59/22/823955922.db2.gz LEBYIFGZCSJTOT-UHFFFAOYSA-N 1 1 384.495 4.020 20 0 GIADMO COc1ccc2c(c1)C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)CC2 ZINC000065164333 823955928 /nfs/dbraw/zinc/95/59/28/823955928.db2.gz LEBYIFGZCSJTOT-UHFFFAOYSA-N 1 1 384.495 4.020 20 0 GIADMO CCc1ccc([C@H](CNCc2c[nH]nc2-c2cccnc2)[NH+](CC)CC)cc1 ZINC000575341791 823958714 /nfs/dbraw/zinc/95/87/14/823958714.db2.gz FJINQNSFASNBJW-QFIPXVFZSA-N 1 1 377.536 4.207 20 0 GIADMO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCc4nnc(C5CC5)s4)[C@@H]3C2)cc1 ZINC000414327553 823958819 /nfs/dbraw/zinc/95/88/19/823958819.db2.gz OSSDLRWMXRQLCF-XUVXKRRUSA-N 1 1 382.577 4.196 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[NH2+][C@H]3CCCc4c(O)cccc43)cs2)c1 ZINC000192367801 823961019 /nfs/dbraw/zinc/96/10/19/823961019.db2.gz LMXAWDHDEYCULU-IBGZPJMESA-N 1 1 394.496 4.470 20 0 GIADMO Nc1c(Cl)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1Cl ZINC000126829251 823961236 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/nfs/dbraw/zinc/01/89/73/824018973.db2.gz VSDINERARKKYRX-FTRWYGJKSA-N 1 1 388.353 4.405 20 0 GIADMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(Br)c1 ZINC000575883497 824018978 /nfs/dbraw/zinc/01/89/78/824018978.db2.gz VSDINERARKKYRX-FTRWYGJKSA-N 1 1 388.353 4.405 20 0 GIADMO Clc1cccc(-c2noc(CC[N@@H+]3CCc4c5ccccc5[nH]c4C3)n2)c1 ZINC000127109101 824019105 /nfs/dbraw/zinc/01/91/05/824019105.db2.gz RYZJCIBOADBHDO-UHFFFAOYSA-N 1 1 378.863 4.472 20 0 GIADMO Clc1cccc(-c2noc(CC[N@H+]3CCc4c5ccccc5[nH]c4C3)n2)c1 ZINC000127109101 824019113 /nfs/dbraw/zinc/01/91/13/824019113.db2.gz RYZJCIBOADBHDO-UHFFFAOYSA-N 1 1 378.863 4.472 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC(F)F ZINC000127141090 824025099 /nfs/dbraw/zinc/02/50/99/824025099.db2.gz QOHPYBSDYZTXIM-AWEZNQCLSA-N 1 1 388.418 4.070 20 0 GIADMO CC(C)N1CCC[C@@H]([N@@H+]2CCc3nc(-c4ccccc4Cl)sc3C2)C1=O ZINC000575907859 824026490 /nfs/dbraw/zinc/02/64/90/824026490.db2.gz DGZSQOHCYBOXIM-QGZVFWFLSA-N 1 1 389.952 4.221 20 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824037546 /nfs/dbraw/zinc/03/75/46/824037546.db2.gz BEYYCHRTTCUFJE-FQEVSTJZSA-N 1 1 392.503 4.024 20 0 GIADMO C[C@H]([NH3+])c1ccc(CNCc2cccc(Br)c2OC(F)F)cc1 ZINC000414810379 824038315 /nfs/dbraw/zinc/03/83/15/824038315.db2.gz NTALTERUNPBLKP-NSHDSACASA-N 1 1 385.252 4.360 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)cc1CNCc1ccc([C@H](C)[NH3+])cc1 ZINC000414815082 824038691 /nfs/dbraw/zinc/03/86/91/824038691.db2.gz WSLAAKHLBWNEJQ-AWEZNQCLSA-N 1 1 399.336 4.253 20 0 GIADMO FC(F)(F)COCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171039057 824044585 /nfs/dbraw/zinc/04/45/85/824044585.db2.gz OGVAMAJZVJHGEA-CYBMUJFWSA-N 1 1 389.805 4.148 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@@H]1c1nc3ccccc3n1C(C)C)CC2 ZINC000575993490 824045646 /nfs/dbraw/zinc/04/56/46/824045646.db2.gz CQMHECYGDMDBFU-DYESRHJHSA-N 1 1 391.519 4.048 20 0 GIADMO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](CN)c2ccc3ccccc3c2)c1C ZINC000414940126 824052264 /nfs/dbraw/zinc/05/22/64/824052264.db2.gz JXWWCEWIIQRTBV-SBUREZEXSA-N 1 1 375.516 4.463 20 0 GIADMO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](CN)c2ccc3ccccc3c2)c1C ZINC000414940130 824052428 /nfs/dbraw/zinc/05/24/28/824052428.db2.gz JXWWCEWIIQRTBV-UZUQRXQVSA-N 1 1 375.516 4.463 20 0 GIADMO COc1cc(C[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C2CC2)ccc1O ZINC000192640243 824053844 /nfs/dbraw/zinc/05/38/44/824053844.db2.gz IUGIXNHWFWLOEG-QFIPXVFZSA-N 1 1 390.524 4.012 20 0 GIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@]3(CCOC3)C2)n1 ZINC000301607274 718808178 /nfs/dbraw/zinc/80/81/78/718808178.db2.gz NQWHBAHZAWYTDT-QFIPXVFZSA-N 1 1 394.544 4.037 20 0 GIADMO CC(C)(C)OC(=O)c1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164621043 719060863 /nfs/dbraw/zinc/06/08/63/719060863.db2.gz GMPBNJILWTWMKT-RTWAWAEBSA-N 1 1 393.531 4.138 20 0 GIADMO Cc1nc2ccc(F)cc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164619052 719067856 /nfs/dbraw/zinc/06/78/56/719067856.db2.gz CDVXTFILQONTMX-PGRDOPGGSA-N 1 1 376.479 4.178 20 0 GIADMO Cc1nc2ccc(F)cc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164619056 719067968 /nfs/dbraw/zinc/06/79/68/719067968.db2.gz CDVXTFILQONTMX-XMSQKQJNSA-N 1 1 376.479 4.178 20 0 GIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c12 ZINC001164625932 719070185 /nfs/dbraw/zinc/07/01/85/719070185.db2.gz NTGHREHBQDFJMK-IRXDYDNUSA-N 1 1 381.911 4.021 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164633435 719210398 /nfs/dbraw/zinc/21/03/98/719210398.db2.gz DREULOAJULZDNW-UONOGXRCSA-N 1 1 381.854 4.356 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)Oc1ccc(-c2ccnc(Cl)c2)cc1 ZINC001164633435 719210407 /nfs/dbraw/zinc/21/04/07/719210407.db2.gz DREULOAJULZDNW-UONOGXRCSA-N 1 1 381.854 4.356 20 0 GIADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)c(Cl)nn2)c1 ZINC001164631272 719257127 /nfs/dbraw/zinc/25/71/27/719257127.db2.gz CRBVZYIJFXGZSC-KBPBESRZSA-N 1 1 380.870 4.179 20 0 GIADMO Cc1cccc(-c2cc(C(F)(F)N3C[C@H](C)[N@H+](C)C[C@@H]3C)c(Cl)nn2)c1 ZINC001164631272 719257128 /nfs/dbraw/zinc/25/71/28/719257128.db2.gz CRBVZYIJFXGZSC-KBPBESRZSA-N 1 1 380.870 4.179 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3cc(C)ccc31)C2 ZINC001164810634 720129704 /nfs/dbraw/zinc/12/97/04/720129704.db2.gz KMWIVBWFJBHSDR-FDDCHVKYSA-N 1 1 399.966 4.381 20 0 GIADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723175 720329067 /nfs/dbraw/zinc/32/90/67/720329067.db2.gz HILRLMJPIRVHQG-RTBURBONSA-N 1 1 382.870 4.276 20 0 GIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721112 720340526 /nfs/dbraw/zinc/34/05/26/720340526.db2.gz AGXKQDAZGMVYTQ-JKSUJKDBSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721112 720340529 /nfs/dbraw/zinc/34/05/29/720340529.db2.gz AGXKQDAZGMVYTQ-JKSUJKDBSA-N 1 1 399.272 4.182 20 0 GIADMO CC(C)(C)c1cc2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2s1 ZINC001164726591 720357321 /nfs/dbraw/zinc/35/73/21/720357321.db2.gz PWQHANPNNKZKJV-ZWKOTPCHSA-N 1 1 393.560 4.237 20 0 GIADMO Clc1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(-c2ccccc2)n1 ZINC001164735031 720454411 /nfs/dbraw/zinc/45/44/11/720454411.db2.gz VBNUVXUTUYJSTA-RBUKOAKNSA-N 1 1 391.906 4.045 20 0 GIADMO Fc1cc2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2cc1Cl ZINC001164727486 720469913 /nfs/dbraw/zinc/46/99/13/720469913.db2.gz NCNVLIYHFDRPBN-VQTJNVASSA-N 1 1 382.870 4.276 20 0 GIADMO Cc1cccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc12 ZINC001164833259 720506752 /nfs/dbraw/zinc/50/67/52/720506752.db2.gz CKJPKRAWFGARDL-BHDDXSALSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc2ccccc12 ZINC001164843065 720538647 /nfs/dbraw/zinc/53/86/47/720538647.db2.gz ZUEHJIYPADYXEG-TXTKFYIRSA-N 1 1 389.547 4.118 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C(C)(C)C)ncn1)CC2 ZINC001164838991 720711619 /nfs/dbraw/zinc/71/16/19/720711619.db2.gz JYBVSXOGECZIAQ-FQEVSTJZSA-N 1 1 394.563 4.034 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)nn1)CC2 ZINC001164837610 720713620 /nfs/dbraw/zinc/71/36/20/720713620.db2.gz FCUPORIWNHERPA-HXUWFJFHSA-N 1 1 394.563 4.034 20 0 GIADMO Cc1ccc2c(c1)nc(Cl)nc2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858495 720962571 /nfs/dbraw/zinc/96/25/71/720962571.db2.gz IWZUTIRBBZIEPA-HNNXBMFYSA-N 1 1 398.942 4.210 20 0 GIADMO CSc1ccnc(Cl)c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164863428 720977714 /nfs/dbraw/zinc/97/77/14/720977714.db2.gz VKIHNTSZFIBSEH-CYBMUJFWSA-N 1 1 379.961 4.075 20 0 GIADMO c1csc(-c2csc3ncnc(N4CC5(C4)CC[N@H+](CC4CC4)C5)c23)c1 ZINC001164768097 721284213 /nfs/dbraw/zinc/28/42/13/721284213.db2.gz JOYNHPXWULCSRW-UHFFFAOYSA-N 1 1 382.558 4.342 20 0 GIADMO Cc1ccc2c(c1)cc(Cl)nc2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783184 721420153 /nfs/dbraw/zinc/42/01/53/721420153.db2.gz HMRVTJTUXBPCEE-HZPDHXFCSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1cccc2c1ncnc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792576 721492584 /nfs/dbraw/zinc/49/25/84/721492584.db2.gz RGVBZXIJGKCEQD-UHFFFAOYSA-N 1 1 387.531 4.214 20 0 GIADMO Cc1c[nH]c2nc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ccc12 ZINC001164792966 721493385 /nfs/dbraw/zinc/49/33/85/721493385.db2.gz WMTUNXUHMBJFFF-UHFFFAOYSA-N 1 1 375.520 4.147 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164792200 721494259 /nfs/dbraw/zinc/49/42/59/721494259.db2.gz KCMJXVLROZFGPD-UHFFFAOYSA-N 1 1 391.494 4.045 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164792250 721496857 /nfs/dbraw/zinc/49/68/57/721496857.db2.gz LQZDCJSVPQBVAA-UHFFFAOYSA-N 1 1 391.494 4.045 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164795051 721500129 /nfs/dbraw/zinc/50/01/29/721500129.db2.gz BQJPGOQBRGYOHX-UHFFFAOYSA-N 1 1 399.542 4.420 20 0 GIADMO CC(C)Sc1ccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nn1 ZINC001164796267 721502308 /nfs/dbraw/zinc/50/23/08/721502308.db2.gz OYUDYFGIQNTHGU-UHFFFAOYSA-N 1 1 397.592 4.253 20 0 GIADMO Cc1cccc2c1ccnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906945 721535336 /nfs/dbraw/zinc/53/53/36/721535336.db2.gz LZFYHBDCIOXAFY-UYAOXDASSA-N 1 1 377.463 4.024 20 0 GIADMO CC(C)Oc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026167 721815532 /nfs/dbraw/zinc/81/55/32/721815532.db2.gz PIXMMAHZJFDBKN-YUXAGFNASA-N 1 1 380.536 4.001 20 0 GIADMO CC(C)Oc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026167 721815533 /nfs/dbraw/zinc/81/55/33/721815533.db2.gz PIXMMAHZJFDBKN-YUXAGFNASA-N 1 1 380.536 4.001 20 0 GIADMO CC(C)COc1cccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165027309 721820374 /nfs/dbraw/zinc/82/03/74/721820374.db2.gz UHDMOCNJIVDXAJ-BVSLBCMMSA-N 1 1 394.563 4.248 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C(C)(C)C)n1 ZINC001165019921 721825997 /nfs/dbraw/zinc/82/59/97/721825997.db2.gz CNDXLMZVNVOPLL-JBACZVJFSA-N 1 1 393.579 4.214 20 0 GIADMO CSCc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027009 721828830 /nfs/dbraw/zinc/82/88/30/721828830.db2.gz QSTZRGFWYFCULN-SESVDKBCSA-N 1 1 382.577 4.077 20 0 GIADMO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024490 721830599 /nfs/dbraw/zinc/83/05/99/721830599.db2.gz KHIBFWXPXRGTOZ-DWLFOUALSA-N 1 1 379.552 4.040 20 0 GIADMO Clc1ccc(C[NH+]2CCCC2)c(N(Cc2cccnc2)Cc2ccccn2)n1 ZINC001165036114 721881199 /nfs/dbraw/zinc/88/11/99/721881199.db2.gz JLXDGKVJHKQNEN-UHFFFAOYSA-N 1 1 393.922 4.328 20 0 GIADMO Cc1cc2c(ccnc2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)o1 ZINC001164939397 721932159 /nfs/dbraw/zinc/93/21/59/721932159.db2.gz KHWIPJWOKRSJTI-UHFFFAOYSA-N 1 1 391.515 4.316 20 0 GIADMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]12 ZINC001164945470 721968370 /nfs/dbraw/zinc/96/83/70/721968370.db2.gz LAPIUMLGOQKTIF-NFBKMPQASA-N 1 1 397.950 4.235 20 0 GIADMO FC(F)(c1cccnc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955067 722012470 /nfs/dbraw/zinc/01/24/70/722012470.db2.gz SLFDZPIHIODCPH-UHFFFAOYSA-N 1 1 392.881 4.167 20 0 GIADMO Clc1ccc2c(cnnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953575 722018169 /nfs/dbraw/zinc/01/81/69/722018169.db2.gz UXWJCJWSGSSADY-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cnc(Cl)cn2)C3)c1 ZINC001164995948 722193569 /nfs/dbraw/zinc/19/35/69/722193569.db2.gz ZXRUHBFRDXLEHN-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cnc(Cl)cn2)C3)c1 ZINC001164995948 722193571 /nfs/dbraw/zinc/19/35/71/722193571.db2.gz ZXRUHBFRDXLEHN-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4ncccc42)C3)c1 ZINC001164995236 722194448 /nfs/dbraw/zinc/19/44/48/722194448.db2.gz SVANHGALISZBRB-NRFANRHFSA-N 1 1 397.885 4.062 20 0 GIADMO COc1ccc2cnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164995455 722197448 /nfs/dbraw/zinc/19/74/48/722197448.db2.gz UZTMYORELWLZSU-QHCPKHFHSA-N 1 1 392.478 4.022 20 0 GIADMO COc1cc(Cl)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164993644 722198446 /nfs/dbraw/zinc/19/84/46/722198446.db2.gz GJUCFXMKERIPGE-HXUWFJFHSA-N 1 1 375.875 4.128 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4cccc(F)c42)C3)c1 ZINC001164994086 722202218 /nfs/dbraw/zinc/20/22/18/722202218.db2.gz FPJWWNGSRYIDDU-JOCHJYFZSA-N 1 1 380.442 4.153 20 0 GIADMO COc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2ccccc21 ZINC001164995588 722202502 /nfs/dbraw/zinc/20/25/02/722202502.db2.gz OKTUFLDJJRBHFE-QHCPKHFHSA-N 1 1 392.478 4.022 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncc4cc(F)ccc4n2)C3)c1 ZINC001164996672 722205357 /nfs/dbraw/zinc/20/53/57/722205357.db2.gz VCPCQGLYHBTVRW-QFIPXVFZSA-N 1 1 380.442 4.153 20 0 GIADMO CC(C)Sc1ccc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nn1 ZINC001164998501 722210830 /nfs/dbraw/zinc/21/08/30/722210830.db2.gz WFFPPVAVDPVJFL-NRFANRHFSA-N 1 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O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000570565049 823055593 /nfs/dbraw/zinc/05/55/93/823055593.db2.gz WKQLMIJXLUBPJI-UHFFFAOYSA-N 1 1 388.515 4.178 20 0 GIADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(C)nc2C)cc1 ZINC000187399774 823056071 /nfs/dbraw/zinc/05/60/71/823056071.db2.gz KSMHBPSXUQIIAJ-UHFFFAOYSA-N 1 1 378.520 4.386 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)[C@H](C)C1 ZINC000120749048 823056526 /nfs/dbraw/zinc/05/65/26/823056526.db2.gz VHIRUMVSBDTWHT-QAPCUYQASA-N 1 1 378.948 4.134 20 0 GIADMO Cc1cccc(-c2noc(CNc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)n2)c1 ZINC000055869804 823057171 /nfs/dbraw/zinc/05/71/71/823057171.db2.gz GJPCEJURXZXCPI-QZTJIDSGSA-N 1 1 392.503 4.266 20 0 GIADMO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000175870994 823060099 /nfs/dbraw/zinc/06/00/99/823060099.db2.gz IFEXWDZDGYFHSZ-UHFFFAOYSA-N 1 1 385.508 4.439 20 0 GIADMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)NCC(F)(F)F ZINC000055889853 823061835 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CCO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000120812421 823069226 /nfs/dbraw/zinc/06/92/26/823069226.db2.gz VMOWNXFMDAFPDF-IRXDYDNUSA-N 1 1 397.523 4.477 20 0 GIADMO CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000120812421 823069230 /nfs/dbraw/zinc/06/92/30/823069230.db2.gz VMOWNXFMDAFPDF-IRXDYDNUSA-N 1 1 397.523 4.477 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@H](CN2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000120828656 823072822 /nfs/dbraw/zinc/07/28/22/823072822.db2.gz JZABCVUDFWDOQS-YLJYHZDGSA-N 1 1 384.520 4.200 20 0 GIADMO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458681325 823073447 /nfs/dbraw/zinc/07/34/47/823073447.db2.gz NSRWQVLIPMWENV-XQBPLPMBSA-N 1 1 397.538 4.309 20 0 GIADMO C[C@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458683435 823073865 /nfs/dbraw/zinc/07/38/65/823073865.db2.gz OZILREIKBKQAEP-PXNSSMCTSA-N 1 1 397.950 4.359 20 0 GIADMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000120839617 823074600 /nfs/dbraw/zinc/07/46/00/823074600.db2.gz RGPHNTFDPPWTJZ-CVDCTZTESA-N 1 1 377.532 4.301 20 0 GIADMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCOc1cccc(Br)c1 ZINC000570744057 823079513 /nfs/dbraw/zinc/07/95/13/823079513.db2.gz ZSNYLXQWBHPPLU-KRWDZBQOSA-N 1 1 378.314 4.272 20 0 GIADMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCOc1cccc(Br)c1 ZINC000570744057 823079518 /nfs/dbraw/zinc/07/95/18/823079518.db2.gz ZSNYLXQWBHPPLU-KRWDZBQOSA-N 1 1 378.314 4.272 20 0 GIADMO CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000570743954 823079730 /nfs/dbraw/zinc/07/97/30/823079730.db2.gz VCYMKDFRCDOYOS-YKSBVNFPSA-N 1 1 393.575 4.239 20 0 GIADMO CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)Cc1ccccc1 ZINC000570743954 823079737 /nfs/dbraw/zinc/07/97/37/823079737.db2.gz VCYMKDFRCDOYOS-YKSBVNFPSA-N 1 1 393.575 4.239 20 0 GIADMO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1noc(-c2ccccc2)n1 ZINC000570746052 823079965 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391.581 4.010 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Br ZINC000187528413 823082323 /nfs/dbraw/zinc/08/23/23/823082323.db2.gz AMCVBTKASZGFLM-YOEHRIQHSA-N 1 1 380.330 4.014 20 0 GIADMO CC(C)Sc1ccccc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000120888533 823082519 /nfs/dbraw/zinc/08/25/19/823082519.db2.gz LNBKHOLVHFCLOG-UHFFFAOYSA-N 1 1 379.570 4.009 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000570765192 823083466 /nfs/dbraw/zinc/08/34/66/823083466.db2.gz WZMKDHNEWFTUDI-LEWJYISDSA-N 1 1 393.531 4.460 20 0 GIADMO O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1)C1CC1 ZINC000120905647 823084950 /nfs/dbraw/zinc/08/49/50/823084950.db2.gz CNCIMADFLODREG-NRFANRHFSA-N 1 1 377.488 4.028 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)[C@H](C)C1 ZINC000120914055 823085985 /nfs/dbraw/zinc/08/59/85/823085985.db2.gz RFJJXHZBQCKTDP-DNVCBOLYSA-N 1 1 397.523 4.116 20 0 GIADMO 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/nfs/dbraw/zinc/14/78/73/823147873.db2.gz MRGOXCPWDBMZJB-HNNXBMFYSA-N 1 1 381.501 4.159 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cccnc2SC(F)F)cc1 ZINC000176189877 823148771 /nfs/dbraw/zinc/14/87/71/823148771.db2.gz QRYDPUFSRBCAMU-LBPRGKRZSA-N 1 1 388.443 4.381 20 0 GIADMO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000571210195 823148961 /nfs/dbraw/zinc/14/89/61/823148961.db2.gz ZMKQSXNZDHDRHD-CQSZACIVSA-N 1 1 397.450 4.182 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)/C=C/c2cnc3ccccc3n2)cc1 ZINC000176190932 823149015 /nfs/dbraw/zinc/14/90/15/823149015.db2.gz KMEWXRIIGVZHNG-YHVDPYDOSA-N 1 1 383.455 4.015 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000176191508 823149047 /nfs/dbraw/zinc/14/90/47/823149047.db2.gz ZJFNXHLUHHPUNQ-LPHOPBHVSA-N 1 1 375.472 4.314 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000176190514 823149092 /nfs/dbraw/zinc/14/90/92/823149092.db2.gz ULQJYVRNPLHFLB-KKXDTOCCSA-N 1 1 381.426 4.440 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)C1(Cc2ccccc2F)CC1 ZINC000187870892 823150230 /nfs/dbraw/zinc/15/02/30/823150230.db2.gz NZZVERRVBWHEIH-UHFFFAOYSA-N 1 1 384.520 4.336 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000459244202 823150771 /nfs/dbraw/zinc/15/07/71/823150771.db2.gz MTLOILYSHGNJFS-SJBKTWHCSA-N 1 1 386.584 4.089 20 0 GIADMO CC[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)noc1C ZINC000121273099 823152742 /nfs/dbraw/zinc/15/27/42/823152742.db2.gz CHMMHOLMJBSSPL-DJJJIMSYSA-N 1 1 381.480 4.297 20 0 GIADMO Cc1ccc(CCN(Cc2ccco2)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000459262380 823153405 /nfs/dbraw/zinc/15/34/05/823153405.db2.gz LSGQRXFJYITJPN-NRFANRHFSA-N 1 1 383.536 4.074 20 0 GIADMO Cc1ccc(CN(C)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000056453738 823153445 /nfs/dbraw/zinc/15/34/45/823153445.db2.gz NJWKFGONMCDHES-UHFFFAOYSA-N 1 1 387.474 4.079 20 0 GIADMO O=C(NCc1ccccc1Cl)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056453560 823153460 /nfs/dbraw/zinc/15/34/60/823153460.db2.gz BLAQSPPAECWSQI-UHFFFAOYSA-N 1 1 393.865 4.082 20 0 GIADMO CC(C)C[N@H+](Cc1nccn1Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC000121278773 823153735 /nfs/dbraw/zinc/15/37/35/823153735.db2.gz DOIRRRBTQHGWCS-QFIPXVFZSA-N 1 1 381.495 4.262 20 0 GIADMO FC(F)(F)c1ccc(Br)c(CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000571248747 823155365 /nfs/dbraw/zinc/15/53/65/823155365.db2.gz UBWPJYNVFHVAFD-NSHDSACASA-N 1 1 377.248 4.042 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H](c1cccnc1)C1CC1 ZINC000571254139 823156568 /nfs/dbraw/zinc/15/65/68/823156568.db2.gz YRGSMZIUPMKVOF-OFNKIYASSA-N 1 1 392.547 4.134 20 0 GIADMO CC[N@@H+](CCc1cncn1C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000459303554 823158519 /nfs/dbraw/zinc/15/85/19/823158519.db2.gz LDOPLDXASJAZAY-UHFFFAOYSA-N 1 1 385.533 4.134 20 0 GIADMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000176234036 823159284 /nfs/dbraw/zinc/15/92/84/823159284.db2.gz CPYFLWCTRBGOHX-DOTOQJQBSA-N 1 1 376.953 4.186 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCC(C)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571279081 823160020 /nfs/dbraw/zinc/16/00/20/823160020.db2.gz XDURUAOOOQFQBQ-HIFRSBDPSA-N 1 1 393.400 4.043 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000459311261 823160080 /nfs/dbraw/zinc/16/00/80/823160080.db2.gz NOJBFIYTMPUBOF-INIZCTEOSA-N 1 1 381.923 4.042 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@H](C)c3cccc(N4CCCC4)c3)CC2)[nH+]c1 ZINC000176241719 823160983 /nfs/dbraw/zinc/16/09/83/823160983.db2.gz HQCJPVPPFKFBNE-LJQANCHMSA-N 1 1 392.547 4.084 20 0 GIADMO C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459320197 823160997 /nfs/dbraw/zinc/16/09/97/823160997.db2.gz RYSMRPYGOOVUNL-HZPDHXFCSA-N 1 1 385.474 4.010 20 0 GIADMO Cc1nccnc1[C@H](C)[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000187953521 823163251 /nfs/dbraw/zinc/16/32/51/823163251.db2.gz FKEPFAFKTQGQFF-JXFKEZNVSA-N 1 1 375.451 4.366 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000176252670 823163478 /nfs/dbraw/zinc/16/34/78/823163478.db2.gz COYGBYUMYOWHPY-JSGCOSHPSA-N 1 1 381.307 4.434 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000176252705 823163563 /nfs/dbraw/zinc/16/35/63/823163563.db2.gz COYGBYUMYOWHPY-OCCSQVGLSA-N 1 1 381.307 4.434 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(CC3(CSc4ccccc4)CC3)n1)OC2 ZINC000571328380 823166208 /nfs/dbraw/zinc/16/62/08/823166208.db2.gz ZJJNCYCXFCMZAR-FXAWDEMLSA-N 1 1 385.533 4.110 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(CC3(CSc4ccccc4)CC3)n1)OC2 ZINC000571328380 823166210 /nfs/dbraw/zinc/16/62/10/823166210.db2.gz ZJJNCYCXFCMZAR-FXAWDEMLSA-N 1 1 385.533 4.110 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)Cc2cc(-c3ccccc3)on2)[C@@H]1c1ccc(Cl)cc1 ZINC000121337743 823165577 /nfs/dbraw/zinc/16/55/77/823165577.db2.gz QQMZFZBVKAAVJO-UGKGYDQZSA-N 1 1 395.890 4.099 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Cc2cc(-c3ccccc3)on2)[C@@H]1c1ccc(Cl)cc1 ZINC000121337743 823165578 /nfs/dbraw/zinc/16/55/78/823165578.db2.gz QQMZFZBVKAAVJO-UGKGYDQZSA-N 1 1 395.890 4.099 20 0 GIADMO c1c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459349439 823167842 /nfs/dbraw/zinc/16/78/42/823167842.db2.gz XKCPWQANMBSAKM-LJQANCHMSA-N 1 1 380.536 4.309 20 0 GIADMO COc1ccc([C@H](C)CC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000176268370 823167999 /nfs/dbraw/zinc/16/79/99/823167999.db2.gz RJVKGWUNJGGLDX-QZTJIDSGSA-N 1 1 382.504 4.221 20 0 GIADMO Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000571348535 823168999 /nfs/dbraw/zinc/16/89/99/823168999.db2.gz ZKHITCUWYKLOOL-QWFCFKBJSA-N 1 1 399.579 4.316 20 0 GIADMO CCn1cnnc1C1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000459354133 823169423 /nfs/dbraw/zinc/16/94/23/823169423.db2.gz RSQAZOOFWDTXBG-UHFFFAOYSA-N 1 1 383.721 4.094 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000459361665 823171897 /nfs/dbraw/zinc/17/18/97/823171897.db2.gz PNIZDPQSRIDTBC-DENIHFKCSA-N 1 1 378.516 4.161 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C(C)=O)C2)cc1 ZINC000571372218 823173560 /nfs/dbraw/zinc/17/35/60/823173560.db2.gz ZQWRHRPCSFJJHK-XLIONFOSSA-N 1 1 394.515 4.180 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C(C)=O)C2)cc1 ZINC000571372218 823173562 /nfs/dbraw/zinc/17/35/62/823173562.db2.gz ZQWRHRPCSFJJHK-XLIONFOSSA-N 1 1 394.515 4.180 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc3c4c(cccc42)CC3)cn1 ZINC000056577248 823173717 /nfs/dbraw/zinc/17/37/17/823173717.db2.gz ADXYVCZMKYJYQE-UHFFFAOYSA-N 1 1 383.455 4.149 20 0 GIADMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000121378596 823173770 /nfs/dbraw/zinc/17/37/70/823173770.db2.gz RHOSILQBMXBQFT-ZFWWWQNUSA-N 1 1 377.419 4.186 20 0 GIADMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000121378596 823173772 /nfs/dbraw/zinc/17/37/72/823173772.db2.gz RHOSILQBMXBQFT-ZFWWWQNUSA-N 1 1 377.419 4.186 20 0 GIADMO Cc1ccc(-n2ncc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2C(C)C)cc1 ZINC000571377041 823174578 /nfs/dbraw/zinc/17/45/78/823174578.db2.gz WVNZQRRFQRLJBZ-RXVVDRJESA-N 1 1 395.551 4.252 20 0 GIADMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000176295489 823175298 /nfs/dbraw/zinc/17/52/98/823175298.db2.gz HIATXCJMUHQRNL-XMMPIXPASA-N 1 1 389.499 4.160 20 0 GIADMO CCn1nnc(C)c1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000571391915 823176452 /nfs/dbraw/zinc/17/64/52/823176452.db2.gz GDQCWOFAHWRKNY-INIZCTEOSA-N 1 1 397.548 4.118 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(OC(C)C)c(Cl)c2)cn1 ZINC000056592190 823176450 /nfs/dbraw/zinc/17/64/50/823176450.db2.gz AUDWANVEMPZZBF-UHFFFAOYSA-N 1 1 399.882 4.338 20 0 GIADMO c1csc(N2CC[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC2)c1 ZINC000459380194 823177829 /nfs/dbraw/zinc/17/78/29/823177829.db2.gz SLJIOYGECYUBCK-UHFFFAOYSA-N 1 1 393.560 4.444 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccccc1OCCc1ccccc1)CC2 ZINC000571407757 823178491 /nfs/dbraw/zinc/17/84/91/823178491.db2.gz FUJUIYDEWHQLQC-LJQANCHMSA-N 1 1 375.472 4.014 20 0 GIADMO O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000121410804 823179651 /nfs/dbraw/zinc/17/96/51/823179651.db2.gz QZHVWJYANKDVOO-QZTJIDSGSA-N 1 1 392.421 4.136 20 0 GIADMO CCn1c(C[NH2+][C@@H]2CCOc3c(Br)cccc32)nc2ccccc21 ZINC000571419156 823179956 /nfs/dbraw/zinc/17/99/56/823179956.db2.gz UUQWDOLXADIAIP-OAHLLOKOSA-N 1 1 386.293 4.432 20 0 GIADMO CCn1c(C[NH2+][C@H]2CCOc3c(Br)cccc32)nc2ccccc21 ZINC000571419155 823180004 /nfs/dbraw/zinc/18/00/04/823180004.db2.gz UUQWDOLXADIAIP-HNNXBMFYSA-N 1 1 386.293 4.432 20 0 GIADMO CCC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1cccc(C(F)(F)F)c1 ZINC000571428245 823181658 /nfs/dbraw/zinc/18/16/58/823181658.db2.gz PFZHUMNYHYXOLH-CRAIPNDOSA-N 1 1 379.426 4.430 20 0 GIADMO O[C@H](C[N@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2)c1ccsc1 ZINC000176331483 823183995 /nfs/dbraw/zinc/18/39/95/823183995.db2.gz IZROIPIWMHPUGV-OAQYLSRUSA-N 1 1 399.487 4.490 20 0 GIADMO O[C@H](C[N@@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2)c1ccsc1 ZINC000176331483 823183997 /nfs/dbraw/zinc/18/39/97/823183997.db2.gz IZROIPIWMHPUGV-OAQYLSRUSA-N 1 1 399.487 4.490 20 0 GIADMO Cc1c(COc2ccccc2)cccc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459418877 823188612 /nfs/dbraw/zinc/18/86/12/823188612.db2.gz GLKLBACHQFXCTR-IBGZPJMESA-N 1 1 381.520 4.427 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2Cc3ccc(Cl)cc3C2)cc1)[NH+]1CCOCC1 ZINC000459401473 823184581 /nfs/dbraw/zinc/18/45/81/823184581.db2.gz DCSVEYNJRYFLLL-HNNXBMFYSA-N 1 1 385.895 4.281 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C3(c4cccc(F)c4)CC3)c2)C[C@H](C)O1 ZINC000121438484 823184751 /nfs/dbraw/zinc/18/47/51/823184751.db2.gz PWCCZHSNGPOBHF-IRXDYDNUSA-N 1 1 382.479 4.105 20 0 GIADMO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459405277 823185611 /nfs/dbraw/zinc/18/56/11/823185611.db2.gz FEEUIMPAMMFZML-LEWJYISDSA-N 1 1 393.575 4.227 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc4ncccc4c3)c2)C[C@H](C)O1 ZINC000121447638 823186031 /nfs/dbraw/zinc/18/60/31/823186031.db2.gz HFCMNCKTZDIELE-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc4ncccc4c3)c2)C[C@H](C)O1 ZINC000121447638 823186033 /nfs/dbraw/zinc/18/60/33/823186033.db2.gz HFCMNCKTZDIELE-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO Cn1c(COc2ccc(Cl)cc2)nnc1SCC[C@H]1CCCC[N@H+]1C ZINC000121450872 823186997 /nfs/dbraw/zinc/18/69/97/823186997.db2.gz LDWDEVRQRPAKLP-OAHLLOKOSA-N 1 1 380.945 4.014 20 0 GIADMO C[C@@H]1C[C@H](N[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000188116614 823188911 /nfs/dbraw/zinc/18/89/11/823188911.db2.gz MUVTTWOCRFHKDI-YHYVQYDKSA-N 1 1 378.495 4.281 20 0 GIADMO CCC1(CC)Oc2ccc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2O1 ZINC000188123707 823190054 /nfs/dbraw/zinc/19/00/54/823190054.db2.gz PZPJTWBIDGSHNW-UHFFFAOYSA-N 1 1 398.507 4.194 20 0 GIADMO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000571486147 823190234 /nfs/dbraw/zinc/19/02/34/823190234.db2.gz QZIWIDHXXVBUKR-SFTDATJTSA-N 1 1 393.531 4.380 20 0 GIADMO COCc1cc(C[NH2+][C@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000459457217 823195757 /nfs/dbraw/zinc/19/57/57/823195757.db2.gz FWOXMMQGIMIKJZ-OALUTQOASA-N 1 1 395.906 4.317 20 0 GIADMO Cc1ccc(C2CC[NH+](CC(=O)N3CC[C@@H](C)Sc4ccccc43)CC2)cn1 ZINC000571510635 823194041 /nfs/dbraw/zinc/19/40/41/823194041.db2.gz FHHNQUZWRKMTQX-GOSISDBHSA-N 1 1 395.572 4.487 20 0 GIADMO COCc1cc(C[NH+]2CCC(C)(c3cccc(Br)c3)CC2)no1 ZINC000459479036 823201153 /nfs/dbraw/zinc/20/11/53/823201153.db2.gz JFBXRMCQUJIVRN-UHFFFAOYSA-N 1 1 379.298 4.137 20 0 GIADMO C[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1c(F)cncc1F ZINC000571545432 823198521 /nfs/dbraw/zinc/19/85/21/823198521.db2.gz OIIVAMWMKFPNEA-INIZCTEOSA-N 1 1 395.453 4.483 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)NCCCCn3cc[nH+]c3C)s2)cc1 ZINC000176402654 823200855 /nfs/dbraw/zinc/20/08/55/823200855.db2.gz UALUUNFHTPTEJI-UHFFFAOYSA-N 1 1 398.532 4.208 20 0 GIADMO Fc1cc(Br)cc([C@@H](CC2CC2)[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000188191959 823200940 /nfs/dbraw/zinc/20/09/40/823200940.db2.gz OOOWKPVYCKLQAO-OAHLLOKOSA-N 1 1 379.277 4.215 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000571570033 823202145 /nfs/dbraw/zinc/20/21/45/823202145.db2.gz PINIKTGEASAIHC-ZDUSSCGKSA-N 1 1 398.338 4.088 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)c2ncc[nH]2)cc1 ZINC000188201614 823202592 /nfs/dbraw/zinc/20/25/92/823202592.db2.gz FGIDEHHWSHAMMF-GOSISDBHSA-N 1 1 397.841 4.174 20 0 GIADMO CC(=O)N1CC[NH+](Cc2cccc(NCc3c(F)cc(C)cc3Cl)c2)CC1 ZINC000459504803 823206554 /nfs/dbraw/zinc/20/65/54/823206554.db2.gz GXPPFWOHQJIHKP-UHFFFAOYSA-N 1 1 389.902 4.064 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459529297 823212584 /nfs/dbraw/zinc/21/25/84/823212584.db2.gz RKRWWIRJUIEATQ-KRWDZBQOSA-N 1 1 382.479 4.025 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459509163 823207371 /nfs/dbraw/zinc/20/73/71/823207371.db2.gz BRGUIXVSGSNBKA-UHFFFAOYSA-N 1 1 384.907 4.151 20 0 GIADMO C[C@H]1C[N@H+](Cc2ccc(-c3ccsc3)cc2)CCN1C(=O)c1cscn1 ZINC000459509834 823207666 /nfs/dbraw/zinc/20/76/66/823207666.db2.gz VUOODIXEBMMTDL-HNNXBMFYSA-N 1 1 383.542 4.218 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccsc3)cc2)CCN1C(=O)c1cscn1 ZINC000459509834 823207672 /nfs/dbraw/zinc/20/76/72/823207672.db2.gz VUOODIXEBMMTDL-HNNXBMFYSA-N 1 1 383.542 4.218 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000056762439 823208821 /nfs/dbraw/zinc/20/88/21/823208821.db2.gz GUVNMPROAFGNSW-KRWDZBQOSA-N 1 1 393.487 4.190 20 0 GIADMO c1c2c(sc1-c1nnc(C[N@@H+]3CC[C@@H](Nc4ccccc4)C3)o1)CCCC2 ZINC000121579477 823209960 /nfs/dbraw/zinc/20/99/60/823209960.db2.gz GOZJGQHYMFZOSK-QGZVFWFLSA-N 1 1 380.517 4.363 20 0 GIADMO c1c2c(sc1-c1nnc(C[N@H+]3CC[C@@H](Nc4ccccc4)C3)o1)CCCC2 ZINC000121579477 823209964 /nfs/dbraw/zinc/20/99/64/823209964.db2.gz GOZJGQHYMFZOSK-QGZVFWFLSA-N 1 1 380.517 4.363 20 0 GIADMO C[C@@H](NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12)c1ccccc1Cl ZINC000459519663 823210109 /nfs/dbraw/zinc/21/01/09/823210109.db2.gz YTPUUFZHZNTNGG-QGZVFWFLSA-N 1 1 398.934 4.081 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(-c3csnn3)cc2)C1 ZINC000056788107 823213509 /nfs/dbraw/zinc/21/35/09/823213509.db2.gz PNKHGUVQOURIFC-IYBDPMFKSA-N 1 1 387.553 4.085 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)c3ccc(Oc4ccccc4)o3)CC2)[nH+]c1 ZINC000176465394 823213563 /nfs/dbraw/zinc/21/35/63/823213563.db2.gz AWDXDBRYZBXNJF-UHFFFAOYSA-N 1 1 377.444 4.174 20 0 GIADMO CC[C@H](CC1CCCC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000571679377 823217907 /nfs/dbraw/zinc/21/79/07/823217907.db2.gz GQXVEYNYPCGWGC-GOSISDBHSA-N 1 1 386.584 4.189 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(-c2csnn2)cc1 ZINC000056788195 823213644 /nfs/dbraw/zinc/21/36/44/823213644.db2.gz YAXYYTGJFGMETR-UHFFFAOYSA-N 1 1 395.532 4.367 20 0 GIADMO C[C@H](CCNC(=O)Nc1ccc(-c2nncs2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000459536621 823214451 /nfs/dbraw/zinc/21/44/51/823214451.db2.gz QJGKCRBTOGUSRK-MRXNPFEDSA-N 1 1 395.532 4.237 20 0 GIADMO FC(F)OC[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459536969 823214682 /nfs/dbraw/zinc/21/46/82/823214682.db2.gz MNYRGOASEMWJGG-HNNXBMFYSA-N 1 1 376.451 4.121 20 0 GIADMO C[N@@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)C1(CCO)CCOCC1 ZINC000459550348 823218141 /nfs/dbraw/zinc/21/81/41/823218141.db2.gz JATHNQUMWZCWKG-YVMONPNESA-N 1 1 381.516 4.142 20 0 GIADMO COc1cccc2c(N3CCC(C(=O)Nc4ccc(C)cn4)CC3)cc(C)[nH+]c12 ZINC000121635267 823219967 /nfs/dbraw/zinc/21/99/67/823219967.db2.gz DGXDOLBYWVJXAT-UHFFFAOYSA-N 1 1 390.487 4.110 20 0 GIADMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H](C)C1 ZINC000459563786 823221335 /nfs/dbraw/zinc/22/13/35/823221335.db2.gz VKNZFVYXUDBMLH-SELNLUPBSA-N 1 1 393.579 4.222 20 0 GIADMO C[C@@]1(c2ccccc2)C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000121643012 823221368 /nfs/dbraw/zinc/22/13/68/823221368.db2.gz WISRPWRYVCSCBM-DEOSSOPVSA-N 1 1 378.516 4.060 20 0 GIADMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000121643012 823221371 /nfs/dbraw/zinc/22/13/71/823221371.db2.gz WISRPWRYVCSCBM-DEOSSOPVSA-N 1 1 378.516 4.060 20 0 GIADMO CCOc1cc(C[N@H+](Cc2ccccn2)C2CC2)cc(Br)c1O ZINC000459551488 823218656 /nfs/dbraw/zinc/21/86/56/823218656.db2.gz OKVQIPSXORXUAH-UHFFFAOYSA-N 1 1 377.282 4.113 20 0 GIADMO CCOc1cc(C[N@@H+](Cc2ccccn2)C2CC2)cc(Br)c1O ZINC000459551488 823218660 /nfs/dbraw/zinc/21/86/60/823218660.db2.gz OKVQIPSXORXUAH-UHFFFAOYSA-N 1 1 377.282 4.113 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC000459552617 823218898 /nfs/dbraw/zinc/21/88/98/823218898.db2.gz WDGBTBVRMPIOJA-LBPRGKRZSA-N 1 1 393.837 4.135 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459576630 823223711 /nfs/dbraw/zinc/22/37/11/823223711.db2.gz GOCBVOFMBMDVSP-OPAMFIHVSA-N 1 1 385.508 4.468 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1)Nc1ccccc1F ZINC000459585996 823225315 /nfs/dbraw/zinc/22/53/15/823225315.db2.gz DNJJOPXYKISEMA-QGZVFWFLSA-N 1 1 392.272 4.149 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1)Nc1ccccc1F ZINC000459585996 823225321 /nfs/dbraw/zinc/22/53/21/823225321.db2.gz DNJJOPXYKISEMA-QGZVFWFLSA-N 1 1 392.272 4.149 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2Cc3sccc3CC2(C)C)cc1 ZINC000459589868 823226393 /nfs/dbraw/zinc/22/63/93/823226393.db2.gz XTGIADCJHSZNOH-UHFFFAOYSA-N 1 1 399.560 4.006 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2Cc3sccc3CC2(C)C)cc1 ZINC000459589868 823226397 /nfs/dbraw/zinc/22/63/97/823226397.db2.gz XTGIADCJHSZNOH-UHFFFAOYSA-N 1 1 399.560 4.006 20 0 GIADMO Cc1nc2ccccc2n1C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000571734324 823227534 /nfs/dbraw/zinc/22/75/34/823227534.db2.gz NIKBAGSJUGLALT-UHFFFAOYSA-N 1 1 379.489 4.293 20 0 GIADMO CCc1nnc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c2)o1 ZINC000176519201 823227880 /nfs/dbraw/zinc/22/78/80/823227880.db2.gz SGABOGIRICWJIJ-IBGZPJMESA-N 1 1 394.450 4.041 20 0 GIADMO CCc1nnc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)c2)o1 ZINC000176519201 823227886 /nfs/dbraw/zinc/22/78/86/823227886.db2.gz SGABOGIRICWJIJ-IBGZPJMESA-N 1 1 394.450 4.041 20 0 GIADMO COc1ccc(CCCCC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000409457125 823223337 /nfs/dbraw/zinc/22/33/37/823223337.db2.gz PXJRZPNOKJWGDY-UHFFFAOYSA-N 1 1 395.478 4.358 20 0 GIADMO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000176529645 823230168 /nfs/dbraw/zinc/23/01/68/823230168.db2.gz OSZHIWXKZHRKEV-KRWDZBQOSA-N 1 1 396.535 4.204 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cncc(F)c1 ZINC000459617024 823230433 /nfs/dbraw/zinc/23/04/33/823230433.db2.gz BKCBOBARMUCETE-VIFPVBQESA-N 1 1 375.753 4.182 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21)c1nc2c(s1)CCC2 ZINC000459631503 823232995 /nfs/dbraw/zinc/23/29/95/823232995.db2.gz CJQWGGHPHOZNHP-UONOGXRCSA-N 1 1 387.574 4.200 20 0 GIADMO CCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000056908181 823231204 /nfs/dbraw/zinc/23/12/04/823231204.db2.gz XYGGMGOVDURZFS-LJQANCHMSA-N 1 1 396.535 4.032 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@@H](C)c3cncc(F)c3)n2)cc1 ZINC000459622689 823231358 /nfs/dbraw/zinc/23/13/58/823231358.db2.gz QHUFTULLMCARTJ-KBPBESRZSA-N 1 1 384.480 4.330 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cnc(-c3cccs3)s2)[C@@H]1O ZINC000571761049 823231453 /nfs/dbraw/zinc/23/14/53/823231453.db2.gz AOEOJEXKBDAGNC-HIFRSBDPSA-N 1 1 378.544 4.296 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](CCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000459630515 823233061 /nfs/dbraw/zinc/23/30/61/823233061.db2.gz ANZFFMGAQROBCF-INIZCTEOSA-N 1 1 377.834 4.400 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459632344 823233425 /nfs/dbraw/zinc/23/34/25/823233425.db2.gz CNTQSIXSUAHATB-GOSISDBHSA-N 1 1 398.469 4.430 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459632344 823233428 /nfs/dbraw/zinc/23/34/28/823233428.db2.gz CNTQSIXSUAHATB-GOSISDBHSA-N 1 1 398.469 4.430 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409511112 823237486 /nfs/dbraw/zinc/23/74/86/823237486.db2.gz VDSIJYVBZYLPQC-IEBWSBKVSA-N 1 1 390.531 4.083 20 0 GIADMO CC(C)N(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459640470 823235593 /nfs/dbraw/zinc/23/55/93/823235593.db2.gz LEPSUJRHWULDJG-SFHVURJKSA-N 1 1 398.469 4.109 20 0 GIADMO COc1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000571805418 823236922 /nfs/dbraw/zinc/23/69/22/823236922.db2.gz BYZKGMKHTGTYIV-NRFANRHFSA-N 1 1 395.421 4.418 20 0 GIADMO COc1cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000571805418 823236928 /nfs/dbraw/zinc/23/69/28/823236928.db2.gz BYZKGMKHTGTYIV-NRFANRHFSA-N 1 1 395.421 4.418 20 0 GIADMO COc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1OCc1cccnc1 ZINC000459645210 823236929 /nfs/dbraw/zinc/23/69/29/823236929.db2.gz ZBHFPIRZHACAFP-UHFFFAOYSA-N 1 1 380.410 4.444 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000459649450 823238416 /nfs/dbraw/zinc/23/84/16/823238416.db2.gz LZCLBSHQAUSUMA-MRXNPFEDSA-N 1 1 385.455 4.115 20 0 GIADMO CCC[C@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992566 823238467 /nfs/dbraw/zinc/23/84/67/823238467.db2.gz ZXHZBQXPUBZNNT-HNNXBMFYSA-N 1 1 385.474 4.500 20 0 GIADMO CC(C)(C)OC(=O)c1cnc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000571816796 823239124 /nfs/dbraw/zinc/23/91/24/823239124.db2.gz ODQKLHNTCNKXJU-IBGZPJMESA-N 1 1 396.535 4.146 20 0 GIADMO CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651107 823239183 /nfs/dbraw/zinc/23/91/83/823239183.db2.gz YNWDSOURXTVEQF-QGZVFWFLSA-N 1 1 392.506 4.096 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)CC12CCOCC2 ZINC000459653646 823240399 /nfs/dbraw/zinc/24/03/99/823240399.db2.gz SFTGVWLKKCUMNJ-SFHVURJKSA-N 1 1 379.426 4.053 20 0 GIADMO Cc1ccc2c(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)ccc(O)c2n1 ZINC000459653813 823240485 /nfs/dbraw/zinc/24/04/85/823240485.db2.gz DJWXFOABAFXTTD-GOSISDBHSA-N 1 1 394.437 4.430 20 0 GIADMO COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459653858 823240493 /nfs/dbraw/zinc/24/04/93/823240493.db2.gz DQHSTVQKDZIESB-DZGCQCFKSA-N 1 1 389.414 4.117 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c[nH]c(C(F)(F)F)c2)C1 ZINC000571828775 823240830 /nfs/dbraw/zinc/24/08/30/823240830.db2.gz JKGAOODXHCYJSA-CQSZACIVSA-N 1 1 379.426 4.195 20 0 GIADMO COc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1SC ZINC000459662317 823244114 /nfs/dbraw/zinc/24/41/14/823244114.db2.gz UEBQNPBBRPFOFF-UHFFFAOYSA-N 1 1 385.533 4.075 20 0 GIADMO COCc1nc(CN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000571845078 823244616 /nfs/dbraw/zinc/24/46/16/823244616.db2.gz UGWCLROFYUBZDD-CEWLAPEOSA-N 1 1 385.577 4.070 20 0 GIADMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459666286 823245758 /nfs/dbraw/zinc/24/57/58/823245758.db2.gz RHOSYGDQXDZKGU-YJBOKZPZSA-N 1 1 394.441 4.009 20 0 GIADMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459666286 823245760 /nfs/dbraw/zinc/24/57/60/823245760.db2.gz RHOSYGDQXDZKGU-YJBOKZPZSA-N 1 1 394.441 4.009 20 0 GIADMO C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000571868087 823247723 /nfs/dbraw/zinc/24/77/23/823247723.db2.gz SONWXWUGKGFGSA-JSRJAPPDSA-N 1 1 389.547 4.361 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)CC12CCOCC2 ZINC000459674724 823247900 /nfs/dbraw/zinc/24/79/00/823247900.db2.gz ZZTDKHJAXWQKBF-SFHVURJKSA-N 1 1 379.426 4.053 20 0 GIADMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459674430 823248061 /nfs/dbraw/zinc/24/80/61/823248061.db2.gz ZCUOUKVVBRGMLX-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459674430 823248063 /nfs/dbraw/zinc/24/80/63/823248063.db2.gz ZCUOUKVVBRGMLX-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO C[C@H]1CCC[N@H+]1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121777932 823248514 /nfs/dbraw/zinc/24/85/14/823248514.db2.gz WHQCJEPXPXYYIF-HNNXBMFYSA-N 1 1 386.565 4.126 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000188489755 823249541 /nfs/dbraw/zinc/24/95/41/823249541.db2.gz LBDCEZMFQRFNEO-VXKWHMMOSA-N 1 1 378.495 4.138 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000057129526 823252566 /nfs/dbraw/zinc/25/25/66/823252566.db2.gz KEQYZZSWSZKAHE-GOSISDBHSA-N 1 1 385.474 4.442 20 0 GIADMO CCSCC[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000176623632 823251468 /nfs/dbraw/zinc/25/14/68/823251468.db2.gz IUTITGKROTYYMD-VOBGVNJCSA-N 1 1 375.582 4.013 20 0 GIADMO CSc1ccccc1C[C@H](C)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000188500355 823251622 /nfs/dbraw/zinc/25/16/22/823251622.db2.gz WPFMFSQBQRBOAE-SFHVURJKSA-N 1 1 397.588 4.116 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(OC(F)F)cc1C ZINC000121789430 823251794 /nfs/dbraw/zinc/25/17/94/823251794.db2.gz IBGJMTISSTWOPR-MRXNPFEDSA-N 1 1 386.446 4.327 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000057127437 823251993 /nfs/dbraw/zinc/25/19/93/823251993.db2.gz NXHFFPXFLMGWON-LJQANCHMSA-N 1 1 395.894 4.276 20 0 GIADMO CC(C)[C@H]1C[C@@H](CC(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)CCO1 ZINC000571910539 823252887 /nfs/dbraw/zinc/25/28/87/823252887.db2.gz GKCCMVFKJZGHDY-GOEBONIOSA-N 1 1 379.570 4.080 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)Cc3c[nH]c4cccc(OCC)c34)c2C1 ZINC000188508369 823253185 /nfs/dbraw/zinc/25/31/85/823253185.db2.gz JFSKHKSKYLQNIF-UHFFFAOYSA-N 1 1 377.488 4.473 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3c[nH]c4cccc(OCC)c34)c2C1 ZINC000188508369 823253193 /nfs/dbraw/zinc/25/31/93/823253193.db2.gz JFSKHKSKYLQNIF-UHFFFAOYSA-N 1 1 377.488 4.473 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H]1O ZINC000459701421 823253155 /nfs/dbraw/zinc/25/31/55/823253155.db2.gz OBRVQNRXKZLVAD-HIFRSBDPSA-N 1 1 386.286 4.013 20 0 GIADMO O=C(N[C@H](CC(F)(F)F)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057131607 823253464 /nfs/dbraw/zinc/25/34/64/823253464.db2.gz WXECTBRAACIWRG-LJQANCHMSA-N 1 1 391.437 4.208 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC(F)(F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000409597513 823257797 /nfs/dbraw/zinc/25/77/97/823257797.db2.gz BBLZHWGOAVNTOS-XOKHGSTOSA-N 1 1 385.886 4.210 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC(F)(F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000409597513 823257799 /nfs/dbraw/zinc/25/77/99/823257799.db2.gz BBLZHWGOAVNTOS-XOKHGSTOSA-N 1 1 385.886 4.210 20 0 GIADMO COc1c(C)cnc(CN2CCC([N@@H+](C)C[C@H]3C[C@@H]3c3ccccc3)CC2)c1C ZINC000571924221 823254955 /nfs/dbraw/zinc/25/49/55/823254955.db2.gz FMSOJGLNSZNPBI-FYYLOGMGSA-N 1 1 393.575 4.407 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000571933925 823256725 /nfs/dbraw/zinc/25/67/25/823256725.db2.gz DQFWIGUEIUGTMZ-KNQAVFIVSA-N 1 1 392.547 4.468 20 0 GIADMO O=C(Nc1cccc(OCc2cccnc2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057175636 823259205 /nfs/dbraw/zinc/25/92/05/823259205.db2.gz JIDZQWYZXSTZON-HSZRJFAPSA-N 1 1 387.483 4.264 20 0 GIADMO CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000571950957 823259374 /nfs/dbraw/zinc/25/93/74/823259374.db2.gz OOMBJQATDHMMHJ-UHFFFAOYSA-N 1 1 393.575 4.087 20 0 GIADMO CCC[C@H]1CN(C(=O)c2cccc(NC(C)=O)c2C)CC[N@H+]1Cc1ccccc1 ZINC000188569867 823263210 /nfs/dbraw/zinc/26/32/10/823263210.db2.gz BXSHAVVOPVECHB-NRFANRHFSA-N 1 1 393.531 4.080 20 0 GIADMO CCC[C@@]1(CO)CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000571957765 823260313 /nfs/dbraw/zinc/26/03/13/823260313.db2.gz SPINIFZNEMCMCC-GOSISDBHSA-N 1 1 379.298 4.089 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nc(Cc2ccccc2)no1)c1ccco1 ZINC000121847901 823262016 /nfs/dbraw/zinc/26/20/16/823262016.db2.gz JIPJYSBZKHAGIP-MOPGFXCFSA-N 1 1 381.476 4.122 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1nc(Cc2ccccc2)no1)c1ccco1 ZINC000121847901 823262020 /nfs/dbraw/zinc/26/20/20/823262020.db2.gz JIPJYSBZKHAGIP-MOPGFXCFSA-N 1 1 381.476 4.122 20 0 GIADMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1OCc1ccncc1 ZINC000459765505 823262271 /nfs/dbraw/zinc/26/22/71/823262271.db2.gz NUMQTSDGERNRQX-FCHUYYIVSA-N 1 1 396.531 4.042 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCC(F)(F)C2)[C@H]1c1cccs1 ZINC000409625685 823265176 /nfs/dbraw/zinc/26/51/76/823265176.db2.gz ZJOHNZASOBQFKW-UXLLHSPISA-N 1 1 385.524 4.256 20 0 GIADMO CC(C)c1cccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000409625207 823265286 /nfs/dbraw/zinc/26/52/86/823265286.db2.gz ASFYZTWTXDKFDL-SFHVURJKSA-N 1 1 381.520 4.352 20 0 GIADMO CC(C)c1cccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000409625207 823265290 /nfs/dbraw/zinc/26/52/90/823265290.db2.gz ASFYZTWTXDKFDL-SFHVURJKSA-N 1 1 381.520 4.352 20 0 GIADMO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000176677706 823265332 /nfs/dbraw/zinc/26/53/32/823265332.db2.gz RUPLXBXAYUJJRI-LJQANCHMSA-N 1 1 395.507 4.000 20 0 GIADMO O=C(NC[C@@H]1CCCC(F)(F)C1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000409626660 823265440 /nfs/dbraw/zinc/26/54/40/823265440.db2.gz JKSPJDOYBYYNPI-CVEARBPZSA-N 1 1 385.524 4.085 20 0 GIADMO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000176677720 823265489 /nfs/dbraw/zinc/26/54/89/823265489.db2.gz RUPLXBXAYUJJRI-IBGZPJMESA-N 1 1 395.507 4.000 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459807624 823266647 /nfs/dbraw/zinc/26/66/47/823266647.db2.gz NUDWVXWMTREGMQ-DLBZAZTESA-N 1 1 376.541 4.355 20 0 GIADMO C[C@H](NC(=O)NC[C@@H]1CCCC(F)(F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409630741 823267138 /nfs/dbraw/zinc/26/71/38/823267138.db2.gz HIOLMJDFJKWDQR-UHOSZYNNSA-N 1 1 379.495 4.022 20 0 GIADMO CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409633096 823267727 /nfs/dbraw/zinc/26/77/27/823267727.db2.gz VDEMJVAIEQPURC-MJGOQNOKSA-N 1 1 383.561 4.291 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 ZINC000409633791 823267966 /nfs/dbraw/zinc/26/79/66/823267966.db2.gz YKGMXYDCLNDJDV-HXUWFJFHSA-N 1 1 393.522 4.366 20 0 GIADMO Cc1nc2sc3c(c2c(N2CCC[C@@H](c4[nH+]cc5n4CCCC5)C2)n1)CCC3 ZINC000409640404 823270539 /nfs/dbraw/zinc/27/05/39/823270539.db2.gz IABZGAWLDQWHJF-OAHLLOKOSA-N 1 1 393.560 4.405 20 0 GIADMO C[C@@H]1CN(C(=O)c2ccc(Br)cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000572026635 823271010 /nfs/dbraw/zinc/27/10/10/823271010.db2.gz CXDVVCDNYGUBBD-LBPRGKRZSA-N 1 1 385.733 4.049 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000121890359 823270987 /nfs/dbraw/zinc/27/09/87/823270987.db2.gz SNTBTTJDAVBUJM-PKTZIBPZSA-N 1 1 378.516 4.006 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(Cl)c2F)cc1F ZINC000409664594 823278078 /nfs/dbraw/zinc/27/80/78/823278078.db2.gz LKPZSUFPJNESRQ-UHFFFAOYSA-N 1 1 376.794 4.434 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)c1ccnn1C(C)C ZINC000460014074 823279012 /nfs/dbraw/zinc/27/90/12/823279012.db2.gz JFQWLBPSTLKLSC-UHFFFAOYSA-N 1 1 377.370 4.229 20 0 GIADMO 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4.177 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCOCC(F)(F)C(F)F)cc2)C1 ZINC000188871426 823320725 /nfs/dbraw/zinc/32/07/25/823320725.db2.gz IVICOYQIGOHZIS-AWEZNQCLSA-N 1 1 390.421 4.164 20 0 GIADMO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000014259216 818230411 /nfs/dbraw/zinc/23/04/11/818230411.db2.gz ZWFICJIBTLBIIA-HNNXBMFYSA-N 1 1 387.911 4.015 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)o1 ZINC000409840728 823322051 /nfs/dbraw/zinc/32/20/51/823322051.db2.gz HJFXPJCZLPTWJH-SEVLPDGMSA-N 1 1 394.515 4.020 20 0 GIADMO CCN(C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000014326987 818234966 /nfs/dbraw/zinc/23/49/66/818234966.db2.gz LVAKSWUEEMYDSQ-SFHVURJKSA-N 1 1 394.515 4.032 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)o1 ZINC000409840725 823322076 /nfs/dbraw/zinc/32/20/76/823322076.db2.gz HJFXPJCZLPTWJH-MBPVOVBZSA-N 1 1 394.515 4.020 20 0 GIADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cnc(Cl)c(Cl)c1 ZINC000014334721 818235731 /nfs/dbraw/zinc/23/57/31/818235731.db2.gz VMMBUWUTJZPSEB-WMLDXEAASA-N 1 1 376.287 4.145 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)[C@H](C)C1 ZINC000122211418 823322152 /nfs/dbraw/zinc/32/21/52/823322152.db2.gz FHILMACAUKZNIM-RISCZKNCSA-N 1 1 399.482 4.426 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000122214894 823322713 /nfs/dbraw/zinc/32/27/13/823322713.db2.gz FQUCFOROZUUMLE-UHFFFAOYSA-N 1 1 394.510 4.002 20 0 GIADMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000572358408 823326708 /nfs/dbraw/zinc/32/67/08/823326708.db2.gz VAGATJAIORWQIO-UHFFFAOYSA-N 1 1 385.471 4.036 20 0 GIADMO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N([C@@H](C)C(C)C)C3CC3)c2C1 ZINC000188886372 823322921 /nfs/dbraw/zinc/32/29/21/823322921.db2.gz SSWOYJMWCKBZGL-SJORKVTESA-N 1 1 385.552 4.021 20 0 GIADMO CC(C)([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000188900419 823325347 /nfs/dbraw/zinc/32/53/47/823325347.db2.gz YPTDLYQRCZQOEC-UHFFFAOYSA-N 1 1 381.320 4.369 20 0 GIADMO CCCc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)sc1C ZINC000409850364 823325966 /nfs/dbraw/zinc/32/59/66/823325966.db2.gz UAXABBAAGPSHEV-MRXNPFEDSA-N 1 1 386.561 4.160 20 0 GIADMO CCCc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)sc1C ZINC000409850364 823325970 /nfs/dbraw/zinc/32/59/70/823325970.db2.gz UAXABBAAGPSHEV-MRXNPFEDSA-N 1 1 386.561 4.160 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000122248040 823327467 /nfs/dbraw/zinc/32/74/67/823327467.db2.gz LETMSPATIJRPCE-IBGZPJMESA-N 1 1 382.533 4.269 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1C ZINC000015300305 818309068 /nfs/dbraw/zinc/30/90/68/818309068.db2.gz ZYMQUBARTXAHBI-MRXNPFEDSA-N 1 1 376.447 4.214 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1C ZINC000015300305 818309073 /nfs/dbraw/zinc/30/90/73/818309073.db2.gz ZYMQUBARTXAHBI-MRXNPFEDSA-N 1 1 376.447 4.214 20 0 GIADMO COC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000124733838 823621784 /nfs/dbraw/zinc/62/17/84/823621784.db2.gz DPJQIYWUBJVFTR-GFCCVEGCSA-N 1 1 377.120 4.070 20 0 GIADMO COC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000124733838 823621786 /nfs/dbraw/zinc/62/17/86/823621786.db2.gz DPJQIYWUBJVFTR-GFCCVEGCSA-N 1 1 377.120 4.070 20 0 GIADMO CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000015312892 818311578 /nfs/dbraw/zinc/31/15/78/818311578.db2.gz TZFSHZRJHSJGMP-FCHUYYIVSA-N 1 1 396.531 4.498 20 0 GIADMO CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC)c1ccccc1 ZINC000015312892 818311581 /nfs/dbraw/zinc/31/15/81/818311581.db2.gz TZFSHZRJHSJGMP-FCHUYYIVSA-N 1 1 396.531 4.498 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000015404710 818321706 /nfs/dbraw/zinc/32/17/06/818321706.db2.gz KJCFRUHTIUNQQP-JOCHJYFZSA-N 1 1 391.515 4.151 20 0 GIADMO CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000015550642 818337688 /nfs/dbraw/zinc/33/76/88/818337688.db2.gz FJXZSSWTNFYONT-UHFFFAOYSA-N 1 1 393.531 4.273 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)[NH+]1CC(C)C1 ZINC000572376661 823329597 /nfs/dbraw/zinc/32/95/97/823329597.db2.gz PRVFKJMTHZKSKB-AWEZNQCLSA-N 1 1 386.883 4.263 20 0 GIADMO CCN(C(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1)c1nc2ccccc2s1 ZINC000572382747 823330207 /nfs/dbraw/zinc/33/02/07/823330207.db2.gz DCWGAVVDEIWZDD-HNNXBMFYSA-N 1 1 383.492 4.278 20 0 GIADMO CCN(C(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1)c1nc2ccccc2s1 ZINC000572382747 823330213 /nfs/dbraw/zinc/33/02/13/823330213.db2.gz DCWGAVVDEIWZDD-HNNXBMFYSA-N 1 1 383.492 4.278 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)N([C@H](C)C(C)C)C3CC3)CC2)cs1 ZINC000122275543 823331321 /nfs/dbraw/zinc/33/13/21/823331321.db2.gz NPCIGNGOGYRXQL-MRXNPFEDSA-N 1 1 392.613 4.136 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)CCc2ncc(-c3ccccc3Cl)o2)[C@H](C)C1 ZINC000122284054 823332455 /nfs/dbraw/zinc/33/24/55/823332455.db2.gz JGBAEOPXTLIXJQ-QAPCUYQASA-N 1 1 389.927 4.116 20 0 GIADMO CCCc1occc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409879074 823334102 /nfs/dbraw/zinc/33/41/02/823334102.db2.gz ISEJDKWVSQZLRE-KUHUBIRLSA-N 1 1 378.875 4.447 20 0 GIADMO CCCc1occc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409879074 823334109 /nfs/dbraw/zinc/33/41/09/823334109.db2.gz ISEJDKWVSQZLRE-KUHUBIRLSA-N 1 1 378.875 4.447 20 0 GIADMO c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000572409428 823334176 /nfs/dbraw/zinc/33/41/76/823334176.db2.gz MTRUTTITJNFSNJ-LJQANCHMSA-N 1 1 384.487 4.241 20 0 GIADMO CC(=O)c1ccc(NC(=S)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000016264786 818413266 /nfs/dbraw/zinc/41/32/66/818413266.db2.gz DIZVSYOJINFOGL-SFHVURJKSA-N 1 1 375.925 4.132 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)Cc1ccccc1 ZINC000016337022 818425985 /nfs/dbraw/zinc/42/59/85/818425985.db2.gz DGALSAQCXBSYAX-XMMPIXPASA-N 1 1 396.531 4.183 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C(c1ccccc1)c1ccccc1 ZINC000016340820 818426557 /nfs/dbraw/zinc/42/65/57/818426557.db2.gz GUORZDPKEFFUKT-UHFFFAOYSA-N 1 1 388.467 4.118 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C(c1ccccc1)c1ccccc1 ZINC000016340820 818426560 /nfs/dbraw/zinc/42/65/60/818426560.db2.gz GUORZDPKEFFUKT-UHFFFAOYSA-N 1 1 388.467 4.118 20 0 GIADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000572430643 823337629 /nfs/dbraw/zinc/33/76/29/823337629.db2.gz HQUQFPZWRJQGDJ-VXKWHMMOSA-N 1 1 385.939 4.345 20 0 GIADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000572430643 823337636 /nfs/dbraw/zinc/33/76/36/823337636.db2.gz HQUQFPZWRJQGDJ-VXKWHMMOSA-N 1 1 385.939 4.345 20 0 GIADMO C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)Cc1cccc(Cl)c1Cl ZINC000016376467 818430852 /nfs/dbraw/zinc/43/08/52/818430852.db2.gz QGDAOXOVKUPOCZ-UHFFFAOYSA-N 1 1 380.275 4.164 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Br)cc1 ZINC000016379983 818431713 /nfs/dbraw/zinc/43/17/13/818431713.db2.gz YVJSLZRQCVMROS-OAHLLOKOSA-N 1 1 391.309 4.095 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000016379983 818431719 /nfs/dbraw/zinc/43/17/19/818431719.db2.gz YVJSLZRQCVMROS-OAHLLOKOSA-N 1 1 391.309 4.095 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCc3cc(N)ccc32)cc1 ZINC000572424880 823336869 /nfs/dbraw/zinc/33/68/69/823336869.db2.gz WJZDCFQTMMIMDG-HXOBKFHXSA-N 1 1 392.547 4.130 20 0 GIADMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000016562428 818454573 /nfs/dbraw/zinc/45/45/73/818454573.db2.gz YOMBKDFFHIVSDR-UHFFFAOYSA-N 1 1 391.309 4.227 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000016562428 818454578 /nfs/dbraw/zinc/45/45/78/818454578.db2.gz YOMBKDFFHIVSDR-UHFFFAOYSA-N 1 1 391.309 4.227 20 0 GIADMO CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000176973208 823339549 /nfs/dbraw/zinc/33/95/49/823339549.db2.gz DFUJPILDLFNJHA-YLJYHZDGSA-N 1 1 397.519 4.269 20 0 GIADMO CCCC[C@@H](C)N(C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000460284263 823339663 /nfs/dbraw/zinc/33/96/63/823339663.db2.gz WHGYFQKYQVOEFJ-MRXNPFEDSA-N 1 1 380.602 4.138 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057844002 823340539 /nfs/dbraw/zinc/34/05/39/823340539.db2.gz QFOHHJWJAHREIM-NRFANRHFSA-N 1 1 393.575 4.474 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057844002 823340547 /nfs/dbraw/zinc/34/05/47/823340547.db2.gz QFOHHJWJAHREIM-NRFANRHFSA-N 1 1 393.575 4.474 20 0 GIADMO CC[C@H](C)[N@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)Cc1ccccc1 ZINC000176987133 823343182 /nfs/dbraw/zinc/34/31/82/823343182.db2.gz UWIBYRNUPGFWRE-HNNXBMFYSA-N 1 1 396.560 4.321 20 0 GIADMO CC[C@H](C)[N@@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)Cc1ccccc1 ZINC000176987133 823343189 /nfs/dbraw/zinc/34/31/89/823343189.db2.gz UWIBYRNUPGFWRE-HNNXBMFYSA-N 1 1 396.560 4.321 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000122357810 823343379 /nfs/dbraw/zinc/34/33/79/823343379.db2.gz LADVQGRSFOSILS-MAUKXSAKSA-N 1 1 396.959 4.330 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000572451468 823342388 /nfs/dbraw/zinc/34/23/88/823342388.db2.gz UEFUWXMANNYOTL-VDZJLULYSA-N 1 1 399.535 4.423 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000572451468 823342393 /nfs/dbraw/zinc/34/23/93/823342393.db2.gz UEFUWXMANNYOTL-VDZJLULYSA-N 1 1 399.535 4.423 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2)c1ccccc1Cl ZINC000057857720 823342439 /nfs/dbraw/zinc/34/24/39/823342439.db2.gz RNKMTMUDFRMHBI-INIZCTEOSA-N 1 1 389.883 4.272 20 0 GIADMO CC1(C)Oc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc2O1 ZINC000057858602 823342746 /nfs/dbraw/zinc/34/27/46/823342746.db2.gz OHGAFMHGYMHLHZ-UHFFFAOYSA-N 1 1 399.466 4.073 20 0 GIADMO CC1(C)Oc2ccc(NC(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc2O1 ZINC000057858602 823342754 /nfs/dbraw/zinc/34/27/54/823342754.db2.gz OHGAFMHGYMHLHZ-UHFFFAOYSA-N 1 1 399.466 4.073 20 0 GIADMO CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1cccc(Cl)c1 ZINC000177012783 823349238 /nfs/dbraw/zinc/34/92/38/823349238.db2.gz SMRQQZHRCFFZLG-HXUWFJFHSA-N 1 1 387.911 4.218 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000176993937 823345196 /nfs/dbraw/zinc/34/51/96/823345196.db2.gz LUPGTFXHTSITFU-OXQOHEQNSA-N 1 1 394.519 4.128 20 0 GIADMO C[N@@H+]1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000018166017 818553509 /nfs/dbraw/zinc/55/35/09/818553509.db2.gz MPUIUCOQWGTZMB-QGZVFWFLSA-N 1 1 379.451 4.391 20 0 GIADMO C[N@H+]1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000018166017 818553516 /nfs/dbraw/zinc/55/35/16/818553516.db2.gz MPUIUCOQWGTZMB-QGZVFWFLSA-N 1 1 379.451 4.391 20 0 GIADMO Cc1cc(F)cc(NC(=O)C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000122378171 823346473 /nfs/dbraw/zinc/34/64/73/823346473.db2.gz RQXXMTPFXSAJHB-UHFFFAOYSA-N 1 1 394.450 4.080 20 0 GIADMO CCN(c1nnc(-c2ccoc2)n1CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460304070 823346685 /nfs/dbraw/zinc/34/66/85/823346685.db2.gz ODTXLXHCGDHPCE-XLIONFOSSA-N 1 1 379.508 4.220 20 0 GIADMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000018941819 818581668 /nfs/dbraw/zinc/58/16/68/818581668.db2.gz AAMFAUIVIGOKRE-INIZCTEOSA-N 1 1 376.456 4.070 20 0 GIADMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000018941819 818581671 /nfs/dbraw/zinc/58/16/71/818581671.db2.gz AAMFAUIVIGOKRE-INIZCTEOSA-N 1 1 376.456 4.070 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1cccc(F)c1 ZINC000019541065 818594766 /nfs/dbraw/zinc/59/47/66/818594766.db2.gz KWMCXQHQURRLLP-UHFFFAOYSA-N 1 1 380.467 4.089 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1cccc(F)c1 ZINC000019541065 818594774 /nfs/dbraw/zinc/59/47/74/818594774.db2.gz KWMCXQHQURRLLP-UHFFFAOYSA-N 1 1 380.467 4.089 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(-n2cccn2)cc1 ZINC000020961845 818642556 /nfs/dbraw/zinc/64/25/56/818642556.db2.gz RXQQLEHGJRFLGT-UHFFFAOYSA-N 1 1 389.286 4.250 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(-n2cccn2)cc1 ZINC000020961845 818642562 /nfs/dbraw/zinc/64/25/62/818642562.db2.gz RXQQLEHGJRFLGT-UHFFFAOYSA-N 1 1 389.286 4.250 20 0 GIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CC(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000021057039 818650505 /nfs/dbraw/zinc/65/05/05/818650505.db2.gz RDGIZVRJFDOZPF-WOJBJXKFSA-N 1 1 394.559 4.213 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(O)ccc1C(F)(F)F ZINC000189097860 823357339 /nfs/dbraw/zinc/35/73/39/823357339.db2.gz XNFDNMQVUFKQLM-UHFFFAOYSA-N 1 1 380.410 4.181 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000021671551 818723886 /nfs/dbraw/zinc/72/38/86/818723886.db2.gz FYFMDUSZRUNNON-CQSZACIVSA-N 1 1 391.309 4.307 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000021671551 818723891 /nfs/dbraw/zinc/72/38/91/818723891.db2.gz FYFMDUSZRUNNON-CQSZACIVSA-N 1 1 391.309 4.307 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)c1 ZINC000058075000 823360064 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CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000023409605 818935583 /nfs/dbraw/zinc/93/55/83/818935583.db2.gz WYWYXJMJKLADQS-INIZCTEOSA-N 1 1 382.287 4.068 20 0 GIADMO Cc1cccc(Oc2cc(CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccn2)c1C ZINC000460399931 823377077 /nfs/dbraw/zinc/37/70/77/823377077.db2.gz LWVWYIRVVKQSQW-QGZVFWFLSA-N 1 1 384.524 4.019 20 0 GIADMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000177124332 823377203 /nfs/dbraw/zinc/37/72/03/823377203.db2.gz ZOALADVJOXQRDQ-NRFANRHFSA-N 1 1 392.503 4.231 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000177128013 823378054 /nfs/dbraw/zinc/37/80/54/823378054.db2.gz JJQNOCFHUMFASH-UTKZUKDTSA-N 1 1 391.515 4.380 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)[NH+](C)C ZINC000023979305 819001811 /nfs/dbraw/zinc/00/18/11/819001811.db2.gz DRIMXCINTZLMGY-RDTXWAMCSA-N 1 1 392.952 4.248 20 0 GIADMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCC(=O)c1cccs1 ZINC000410047279 823379273 /nfs/dbraw/zinc/37/92/73/823379273.db2.gz GSRODNACCSNUKS-OAQYLSRUSA-N 1 1 398.572 4.300 20 0 GIADMO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671143 823379352 /nfs/dbraw/zinc/37/93/52/823379352.db2.gz ROXPQGCJGQDXPQ-QFBILLFUSA-N 1 1 390.474 4.297 20 0 GIADMO COc1cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671143 823379357 /nfs/dbraw/zinc/37/93/57/823379357.db2.gz ROXPQGCJGQDXPQ-QFBILLFUSA-N 1 1 390.474 4.297 20 0 GIADMO COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671143 823379362 /nfs/dbraw/zinc/37/93/62/823379362.db2.gz ROXPQGCJGQDXPQ-QFBILLFUSA-N 1 1 390.474 4.297 20 0 GIADMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cn2c(-c3ccccc3)csc2=S)C1 ZINC000177136186 823380019 /nfs/dbraw/zinc/38/00/19/823380019.db2.gz YSEXLBHEZOYYIL-KRWDZBQOSA-N 1 1 387.574 4.142 20 0 GIADMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cn2c(-c3ccccc3)csc2=S)C1 ZINC000177136186 823380022 /nfs/dbraw/zinc/38/00/22/823380022.db2.gz YSEXLBHEZOYYIL-KRWDZBQOSA-N 1 1 387.574 4.142 20 0 GIADMO C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000572675012 823380198 /nfs/dbraw/zinc/38/01/98/823380198.db2.gz BZWZQTUSXHTKJD-UONOGXRCSA-N 1 1 376.451 4.492 20 0 GIADMO COc1ccc(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c(F)c1 ZINC000410051216 823380326 /nfs/dbraw/zinc/38/03/26/823380326.db2.gz FPMXXTCWGRZSRW-OAQYLSRUSA-N 1 1 384.495 4.037 20 0 GIADMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc2cc[nH]c2c1 ZINC000410053292 823380981 /nfs/dbraw/zinc/38/09/81/823380981.db2.gz LZQMEIUDDLSBMF-JOCHJYFZSA-N 1 1 375.516 4.371 20 0 GIADMO Clc1ccccc1-c1nnc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)o1 ZINC000177141996 823381129 /nfs/dbraw/zinc/38/11/29/823381129.db2.gz OUALIYJYSQFUHT-QGZVFWFLSA-N 1 1 383.879 4.224 20 0 GIADMO Clc1ccccc1-c1nnc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)o1 ZINC000177141996 823381137 /nfs/dbraw/zinc/38/11/37/823381137.db2.gz OUALIYJYSQFUHT-QGZVFWFLSA-N 1 1 383.879 4.224 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)c2nnc(C3CCC3)n2CCc2ccccc2)C[C@@H]1C ZINC000460414459 823381285 /nfs/dbraw/zinc/38/12/85/823381285.db2.gz AWVCZWHTILKARG-GHTZIAJQSA-N 1 1 381.568 4.097 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000177146603 823382659 /nfs/dbraw/zinc/38/26/59/823382659.db2.gz LRNYAUWNDYUDHK-KSZLIROESA-N 1 1 377.410 4.005 20 0 GIADMO CCSc1cccc(Br)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000572686666 823383111 /nfs/dbraw/zinc/38/31/11/823383111.db2.gz WIDNIASKRYGJPS-VXGBXAGGSA-N 1 1 386.359 4.165 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000177165949 823388837 /nfs/dbraw/zinc/38/88/37/823388837.db2.gz KYOQVWSVQMWHKM-AWEZNQCLSA-N 1 1 377.941 4.375 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000058418962 823388529 /nfs/dbraw/zinc/38/85/29/823388529.db2.gz LYLQQGQNLBIEAI-UHFFFAOYSA-N 1 1 387.524 4.456 20 0 GIADMO FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@H]3[C@@H]3CCCOC3)cc2)n1 ZINC000572721905 823388719 /nfs/dbraw/zinc/38/87/19/823388719.db2.gz 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COc1ccc(C)cc1C[NH+]1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000026761051 820141048 /nfs/dbraw/zinc/14/10/48/820141048.db2.gz PJRXRPXOEBORDW-UHFFFAOYSA-N 1 1 388.471 4.015 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460623995 823458981 /nfs/dbraw/zinc/45/89/81/823458981.db2.gz XSPCFCOZDTYZIG-NHCUHLMSSA-N 1 1 381.564 4.261 20 0 GIADMO COCc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000027045956 820185139 /nfs/dbraw/zinc/18/51/39/820185139.db2.gz RSRRFQYLJPHVFU-QHCPKHFHSA-N 1 1 390.483 4.311 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058827292 823459978 /nfs/dbraw/zinc/45/99/78/823459978.db2.gz CRBMJLHTDFVYQK-RBUKOAKNSA-N 1 1 376.422 4.318 20 0 GIADMO O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058827981 823460256 /nfs/dbraw/zinc/46/02/56/823460256.db2.gz SSFBNLGOCDZUPR-INIZCTEOSA-N 1 1 377.410 4.492 20 0 GIADMO COc1ccc(C[N@@H+](C[C@H](O)CC(F)(F)F)C2CCCCC2)cc1OC ZINC000189622608 823460717 /nfs/dbraw/zinc/46/07/17/823460717.db2.gz BEAIPARSFSVEJU-MRXNPFEDSA-N 1 1 375.431 4.152 20 0 GIADMO Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)c1ccc(Br)cn1)[NH+](C)C ZINC000573178851 823461781 /nfs/dbraw/zinc/46/17/81/823461781.db2.gz RQVZRPHZEQRODT-DOXZYTNZSA-N 1 1 376.342 4.495 20 0 GIADMO CCc1ccccc1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027236524 820214387 /nfs/dbraw/zinc/21/43/87/820214387.db2.gz DQANIDPFDWRXKR-UHFFFAOYSA-N 1 1 380.488 4.361 20 0 GIADMO O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000027271487 820217728 /nfs/dbraw/zinc/21/77/28/820217728.db2.gz ZGQJDLIFZYKGIJ-XMMPIXPASA-N 1 1 385.511 4.184 20 0 GIADMO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000027416999 820242277 /nfs/dbraw/zinc/24/22/77/820242277.db2.gz UNGWNBVKRCCJAT-MRXNPFEDSA-N 1 1 397.544 4.086 20 0 GIADMO O=C(NC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1)c1ccc(F)cc1 ZINC000027446371 820245809 /nfs/dbraw/zinc/24/58/09/820245809.db2.gz NGEALHLWCOAGOF-UHFFFAOYSA-N 1 1 397.425 4.014 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000410326563 823464068 /nfs/dbraw/zinc/46/40/68/823464068.db2.gz FNMUOHIRTNGMPC-LSDHHAIUSA-N 1 1 392.952 4.040 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000410326563 823464071 /nfs/dbraw/zinc/46/40/71/823464071.db2.gz FNMUOHIRTNGMPC-LSDHHAIUSA-N 1 1 392.952 4.040 20 0 GIADMO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000027474768 820249523 /nfs/dbraw/zinc/24/95/23/820249523.db2.gz SWCFUCGMJJIFAQ-MRXNPFEDSA-N 1 1 391.540 4.464 20 0 GIADMO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000027474768 820249529 /nfs/dbraw/zinc/24/95/29/820249529.db2.gz SWCFUCGMJJIFAQ-MRXNPFEDSA-N 1 1 391.540 4.464 20 0 GIADMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)c2c1 ZINC000027506830 820254709 /nfs/dbraw/zinc/25/47/09/820254709.db2.gz BFLSMOKOFAGNDP-OAHLLOKOSA-N 1 1 393.472 4.391 20 0 GIADMO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3C(C)C)CC2)c1 ZINC000027536136 820256720 /nfs/dbraw/zinc/25/67/20/820256720.db2.gz NOFVRDLYQBRGAR-FQEVSTJZSA-N 1 1 379.548 4.263 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(F)cc1 ZINC000027574376 820262080 /nfs/dbraw/zinc/26/20/80/820262080.db2.gz UGDVCZNLWDUYQP-MRXNPFEDSA-N 1 1 398.478 4.176 20 0 GIADMO COc1ccc(C[N@H+](Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027650318 820271058 /nfs/dbraw/zinc/27/10/58/820271058.db2.gz HXRGQVYCHKMWAQ-OAQYLSRUSA-N 1 1 395.524 4.038 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cccc3ccccc32)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027650318 820271063 /nfs/dbraw/zinc/27/10/63/820271063.db2.gz HXRGQVYCHKMWAQ-OAQYLSRUSA-N 1 1 395.524 4.038 20 0 GIADMO COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000027738505 820281320 /nfs/dbraw/zinc/28/13/20/820281320.db2.gz CNLSPDVWOSNMAO-UHFFFAOYSA-N 1 1 381.303 4.140 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000058895664 823467701 /nfs/dbraw/zinc/46/77/01/823467701.db2.gz NYKGGPBDVQIWQY-UHFFFAOYSA-N 1 1 379.504 4.358 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCOc2cccc(Cl)c2Cl)C1 ZINC000058899079 823467979 /nfs/dbraw/zinc/46/79/79/823467979.db2.gz UTWBEIOEXVDBEB-OAHLLOKOSA-N 1 1 387.351 4.391 20 0 GIADMO COc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410343449 823468502 /nfs/dbraw/zinc/46/85/02/823468502.db2.gz GONVREOOYAIERY-SFHVURJKSA-N 1 1 381.520 4.069 20 0 GIADMO Clc1ccc(-c2cnc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)o2)cc1 ZINC000177466189 823468656 /nfs/dbraw/zinc/46/86/56/823468656.db2.gz QPNNFRMMHCUVBX-GOSISDBHSA-N 1 1 376.884 4.155 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccn2C)cc1 ZINC000410346666 823469096 /nfs/dbraw/zinc/46/90/96/823469096.db2.gz WDKRXLXQDSFLIM-XXBNENTESA-N 1 1 394.563 4.446 20 0 GIADMO CC(C)c1ccccc1OC[C@@H](O)CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000573238228 823469112 /nfs/dbraw/zinc/46/91/12/823469112.db2.gz VJYWGZPDZMFXOA-KNQAVFIVSA-N 1 1 398.547 4.055 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000410347950 823469748 /nfs/dbraw/zinc/46/97/48/823469748.db2.gz SPYCSBZCVWEXOI-QGZVFWFLSA-N 1 1 379.504 4.318 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C2CC2)cc1 ZINC000028280993 820322638 /nfs/dbraw/zinc/32/26/38/820322638.db2.gz GTLWRQNKCGOCQY-FYYLOGMGSA-N 1 1 382.479 4.239 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)C2CC2)cc1 ZINC000028280993 820322645 /nfs/dbraw/zinc/32/26/45/820322645.db2.gz GTLWRQNKCGOCQY-FYYLOGMGSA-N 1 1 382.479 4.239 20 0 GIADMO C[C@@H](CNC(=O)NCc1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000028381257 820330958 /nfs/dbraw/zinc/33/09/58/820330958.db2.gz DYIWHKMQJVWMHT-ZDUSSCGKSA-N 1 1 397.466 4.013 20 0 GIADMO C[C@@H](CNC(=O)NCc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2sccc2C1 ZINC000028381257 820330969 /nfs/dbraw/zinc/33/09/69/820330969.db2.gz DYIWHKMQJVWMHT-ZDUSSCGKSA-N 1 1 397.466 4.013 20 0 GIADMO CC[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028392370 820331966 /nfs/dbraw/zinc/33/19/66/820331966.db2.gz QHLASVBEMSYESC-JTSKRJEESA-N 1 1 383.511 4.365 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H](c4ccccc4)C(C)(C)C3)CC2)cs1 ZINC000123153333 823470938 /nfs/dbraw/zinc/47/09/38/823470938.db2.gz MBPIONJNWNIZNJ-OAQYLSRUSA-N 1 1 397.588 4.316 20 0 GIADMO O=C(CC[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1Cl ZINC000028736530 820354608 /nfs/dbraw/zinc/35/46/08/820354608.db2.gz OMFDDBYFFFGEOX-OAHLLOKOSA-N 1 1 378.925 4.411 20 0 GIADMO CCCO[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000123170066 823473334 /nfs/dbraw/zinc/47/33/34/823473334.db2.gz OIMNEPPGXLEHLJ-UTKZUKDTSA-N 1 1 384.524 4.232 20 0 GIADMO CCCO[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000123169425 823473352 /nfs/dbraw/zinc/47/33/52/823473352.db2.gz OIMNEPPGXLEHLJ-LAUBAEHRSA-N 1 1 384.524 4.232 20 0 GIADMO COc1ccc(-c2ccc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)s2)cc1 ZINC000177484449 823473403 /nfs/dbraw/zinc/47/34/03/823473403.db2.gz LULKBWDUXWICEX-NRFANRHFSA-N 1 1 380.513 4.343 20 0 GIADMO O=C(CC[N@H+]1CCc2ccccc2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000028842569 820363490 /nfs/dbraw/zinc/36/34/90/820363490.db2.gz SAUDLHPYQSIJCK-QHCPKHFHSA-N 1 1 376.525 4.402 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000028884890 820367132 /nfs/dbraw/zinc/36/71/32/820367132.db2.gz HRBPPPUGAIYKTC-UHFFFAOYSA-N 1 1 395.322 4.174 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000028884890 820367139 /nfs/dbraw/zinc/36/71/39/820367139.db2.gz HRBPPPUGAIYKTC-UHFFFAOYSA-N 1 1 395.322 4.174 20 0 GIADMO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1nc2ccccc2s1 ZINC000028888694 820367638 /nfs/dbraw/zinc/36/76/38/820367638.db2.gz XYWLITHDCOPLRL-GOSISDBHSA-N 1 1 379.529 4.312 20 0 GIADMO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1nc2ccccc2s1 ZINC000028888694 820367645 /nfs/dbraw/zinc/36/76/45/820367645.db2.gz XYWLITHDCOPLRL-GOSISDBHSA-N 1 1 379.529 4.312 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1cnn(-c2ccccc2)c1 ZINC000028901174 820369769 /nfs/dbraw/zinc/36/97/69/820369769.db2.gz GYVRFFZGYXSXGL-UHFFFAOYSA-N 1 1 386.858 4.125 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000058944996 823473990 /nfs/dbraw/zinc/47/39/90/823473990.db2.gz DPBLUPGEFBTADH-MSOLQXFVSA-N 1 1 377.488 4.078 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123176739 823474279 /nfs/dbraw/zinc/47/42/79/823474279.db2.gz ZBNWZFTZDXFLCI-IINYFYTJSA-N 1 1 382.348 4.279 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2c2cccnc2)C1 ZINC000410362611 823474716 /nfs/dbraw/zinc/47/47/16/823474716.db2.gz HHIAVZYXHLHWLA-XXBNENTESA-N 1 1 392.547 4.360 20 0 GIADMO COc1ccc2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)c(C)nc2c1 ZINC000029050046 820386975 /nfs/dbraw/zinc/38/69/75/820386975.db2.gz MNLVYZVPHNZUOF-NRFANRHFSA-N 1 1 397.906 4.238 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000029199199 820409890 /nfs/dbraw/zinc/40/98/90/820409890.db2.gz CDONLIXKHUBWJC-IBGZPJMESA-N 1 1 393.531 4.290 20 0 GIADMO Cc1cc(OCCCC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000058966282 823476707 /nfs/dbraw/zinc/47/67/07/823476707.db2.gz LFNUGNSPDPAHHB-QGZVFWFLSA-N 1 1 380.960 4.436 20 0 GIADMO CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)Nc1ccccc1 ZINC000410371588 823478671 /nfs/dbraw/zinc/47/86/71/823478671.db2.gz LHJMRNUNVBGNNY-HSZRJFAPSA-N 1 1 396.579 4.463 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177509340 823479663 /nfs/dbraw/zinc/47/96/63/823479663.db2.gz RERBDNQHSULWBI-OTWHNJEPSA-N 1 1 398.551 4.009 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177509340 823479667 /nfs/dbraw/zinc/47/96/67/823479667.db2.gz RERBDNQHSULWBI-OTWHNJEPSA-N 1 1 398.551 4.009 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2ccccc2C1 ZINC000410376893 823480715 /nfs/dbraw/zinc/48/07/15/823480715.db2.gz YLLSCHFFFHTNNP-LJQANCHMSA-N 1 1 377.532 4.329 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cccn3C)cc2)C1 ZINC000410380669 823481591 /nfs/dbraw/zinc/48/15/91/823481591.db2.gz HRBPJFUETQAQGC-XXBNENTESA-N 1 1 394.563 4.304 20 0 GIADMO C[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccc2ccccc2c1 ZINC000029597933 820481900 /nfs/dbraw/zinc/48/19/00/820481900.db2.gz BYCKBOITWOUHDX-UHFFFAOYSA-N 1 1 390.512 4.217 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccc2ccccc2c1 ZINC000029597933 820481903 /nfs/dbraw/zinc/48/19/03/820481903.db2.gz BYCKBOITWOUHDX-UHFFFAOYSA-N 1 1 390.512 4.217 20 0 GIADMO COc1ccc(C)cc1C[NH+]1CCN(Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000029706080 820501585 /nfs/dbraw/zinc/50/15/85/820501585.db2.gz DOURCHXLARSLMU-UHFFFAOYSA-N 1 1 397.544 4.346 20 0 GIADMO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000123245820 823484681 /nfs/dbraw/zinc/48/46/81/823484681.db2.gz IOYSVWSLNYNLBW-SUMWQHHRSA-N 1 1 389.414 4.271 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc3ccccc3s2)C[C@@H](C)O1 ZINC000059058862 823484869 /nfs/dbraw/zinc/48/48/69/823484869.db2.gz NAFJOOKPFJJWIF-IAGOWNOFSA-N 1 1 394.540 4.441 20 0 GIADMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000029825043 820525169 /nfs/dbraw/zinc/52/51/69/820525169.db2.gz WFIIYVKORPUAON-INIZCTEOSA-N 1 1 379.460 4.045 20 0 GIADMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000029825043 820525178 /nfs/dbraw/zinc/52/51/78/820525178.db2.gz WFIIYVKORPUAON-INIZCTEOSA-N 1 1 379.460 4.045 20 0 GIADMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000029825658 820525923 /nfs/dbraw/zinc/52/59/23/820525923.db2.gz NCDXGDHNDRLDSF-NVXWUHKLSA-N 1 1 381.451 4.024 20 0 GIADMO CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000029827211 820526720 /nfs/dbraw/zinc/52/67/20/820526720.db2.gz FPKQTGPKKOPWTA-QZTJIDSGSA-N 1 1 377.488 4.449 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830034 820527479 /nfs/dbraw/zinc/52/74/79/820527479.db2.gz MMJBGLMARJPCAK-HZPDHXFCSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830034 820527488 /nfs/dbraw/zinc/52/74/88/820527488.db2.gz MMJBGLMARJPCAK-HZPDHXFCSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830788 820528279 /nfs/dbraw/zinc/52/82/79/820528279.db2.gz DKNGDPLZLCRQNM-IEBWSBKVSA-N 1 1 377.488 4.021 20 0 GIADMO CSCc1c2ccccc2oc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029837713 820529371 /nfs/dbraw/zinc/52/93/71/820529371.db2.gz UJDSKAGGGILXDV-UHFFFAOYSA-N 1 1 394.540 4.474 20 0 GIADMO CSCC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1nnc2ccccn21 ZINC000123256778 823486606 /nfs/dbraw/zinc/48/66/06/823486606.db2.gz FSVGCCHSDKDUIX-OAHLLOKOSA-N 1 1 396.438 4.212 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCCOc1ccccc1 ZINC000029855262 820533566 /nfs/dbraw/zinc/53/35/66/820533566.db2.gz PIXRONNIEKUUIG-HNNXBMFYSA-N 1 1 391.309 4.177 20 0 GIADMO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1cccc(Cl)c1 ZINC000029863231 820534780 /nfs/dbraw/zinc/53/47/80/820534780.db2.gz LRJAPVGDKWXBSR-UHFFFAOYSA-N 1 1 398.265 4.032 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(=O)Nc1cccc(Cl)c1 ZINC000029863231 820534785 /nfs/dbraw/zinc/53/47/85/820534785.db2.gz LRJAPVGDKWXBSR-UHFFFAOYSA-N 1 1 398.265 4.032 20 0 GIADMO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1ccc(C)cc1 ZINC000029870096 820536176 /nfs/dbraw/zinc/53/61/76/820536176.db2.gz DNDGDBKUZJILDT-NRFANRHFSA-N 1 1 392.503 4.039 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000177544494 823487154 /nfs/dbraw/zinc/48/71/54/823487154.db2.gz LNVAGCJVWKHDRL-SFHVURJKSA-N 1 1 384.549 4.179 20 0 GIADMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000177554781 823489938 /nfs/dbraw/zinc/48/99/38/823489938.db2.gz YGUMAVBRRQMICC-UWJYYQICSA-N 1 1 391.540 4.451 20 0 GIADMO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000030007465 820567523 /nfs/dbraw/zinc/56/75/23/820567523.db2.gz MPBUGEOBRBMQSB-MSOLQXFVSA-N 1 1 381.520 4.363 20 0 GIADMO O=C(CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1ccccc1F ZINC000059374695 823494240 /nfs/dbraw/zinc/49/42/40/823494240.db2.gz DECJGDVOBMXYHL-UHFFFAOYSA-N 1 1 389.902 4.016 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000030224393 820590384 /nfs/dbraw/zinc/59/03/84/820590384.db2.gz VHPYSYXWLQTPRY-FQEVSTJZSA-N 1 1 379.529 4.124 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000030224393 820590390 /nfs/dbraw/zinc/59/03/90/820590390.db2.gz VHPYSYXWLQTPRY-FQEVSTJZSA-N 1 1 379.529 4.124 20 0 GIADMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000030224538 820590463 /nfs/dbraw/zinc/59/04/63/820590463.db2.gz IYBUXNJISMPWCS-SJLPKXTDSA-N 1 1 388.496 4.295 20 0 GIADMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000030224538 820590467 /nfs/dbraw/zinc/59/04/67/820590467.db2.gz IYBUXNJISMPWCS-SJLPKXTDSA-N 1 1 388.496 4.295 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000059387246 823494636 /nfs/dbraw/zinc/49/46/36/823494636.db2.gz NZSAMXHXJOVOSG-QGZVFWFLSA-N 1 1 376.859 4.133 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000059387246 823494640 /nfs/dbraw/zinc/49/46/40/823494640.db2.gz NZSAMXHXJOVOSG-QGZVFWFLSA-N 1 1 376.859 4.133 20 0 GIADMO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cn1 ZINC000189789939 823494741 /nfs/dbraw/zinc/49/47/41/823494741.db2.gz ZCTSPRNUGIYFTN-IBGZPJMESA-N 1 1 395.551 4.027 20 0 GIADMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc2c(s1)-c1ccccc1OC2 ZINC000030317989 820600019 /nfs/dbraw/zinc/60/00/19/820600019.db2.gz LWHCHADEXVELQI-UHFFFAOYSA-N 1 1 390.508 4.096 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc2c(s1)-c1ccccc1OC2 ZINC000030317989 820600022 /nfs/dbraw/zinc/60/00/22/820600022.db2.gz LWHCHADEXVELQI-UHFFFAOYSA-N 1 1 390.508 4.096 20 0 GIADMO O=C(NC1CC1)[C@@H]([NH2+]Cc1cccc(COCc2ccco2)c1)c1ccccc1 ZINC000030511083 820627859 /nfs/dbraw/zinc/62/78/59/820627859.db2.gz JWKCRAISDOFNFH-QHCPKHFHSA-N 1 1 390.483 4.106 20 0 GIADMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000059360342 823493461 /nfs/dbraw/zinc/49/34/61/823493461.db2.gz ZZIMTWQOIDDMSD-UHFFFAOYSA-N 1 1 399.343 4.174 20 0 GIADMO COc1ccc(-c2nn(-c3ccccc3)cc2CNCC[NH+]2CCCCC2)cc1 ZINC000030642705 820657111 /nfs/dbraw/zinc/65/71/11/820657111.db2.gz JJIRFEABNGPLGB-UHFFFAOYSA-N 1 1 390.531 4.123 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCc3ccccc3O)cc2)C1 ZINC000059410621 823495814 /nfs/dbraw/zinc/49/58/14/823495814.db2.gz QJMAVQQIUKEPNJ-KDURUIRLSA-N 1 1 380.532 4.119 20 0 GIADMO CN1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000030664335 820661649 /nfs/dbraw/zinc/66/16/49/820661649.db2.gz SAPXQYNOIKQBKP-UHFFFAOYSA-N 1 1 396.362 4.369 20 0 GIADMO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)Nc4ccnn4C(C)C)CC3)oc21 ZINC000189797925 823496219 /nfs/dbraw/zinc/49/62/19/823496219.db2.gz DJKMLAFCBVRCFN-MRXNPFEDSA-N 1 1 395.507 4.120 20 0 GIADMO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)Nc4ccnn4C(C)C)CC3)oc21 ZINC000189797908 823496238 /nfs/dbraw/zinc/49/62/38/823496238.db2.gz DJKMLAFCBVRCFN-INIZCTEOSA-N 1 1 395.507 4.120 20 0 GIADMO C[C@@H](NC(=O)CN1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1Cl ZINC000059424795 823496468 /nfs/dbraw/zinc/49/64/68/823496468.db2.gz BYSGPPMKDZJBMM-GOSISDBHSA-N 1 1 391.987 4.105 20 0 GIADMO C[C@@H](C1CC1)n1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000189800672 823496838 /nfs/dbraw/zinc/49/68/38/823496838.db2.gz HQSKYLPITYOBBZ-FUHIMQAGSA-N 1 1 381.524 4.029 20 0 GIADMO Fc1ccccc1-c1nc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cs1 ZINC000177590225 823497560 /nfs/dbraw/zinc/49/75/60/823497560.db2.gz CCQKYYKZSMWFGF-GOSISDBHSA-N 1 1 390.524 4.499 20 0 GIADMO Cc1cccc2nc(C3CC[NH+](CC(=O)N(C)Cc4ccc(F)cc4)CC3)oc21 ZINC000189807933 823498401 /nfs/dbraw/zinc/49/84/01/823498401.db2.gz KGPWOMCVAKINCS-UHFFFAOYSA-N 1 1 395.478 4.113 20 0 GIADMO CC(C)c1ccc(C[N@H+](C)CC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000030958829 820711627 /nfs/dbraw/zinc/71/16/27/820711627.db2.gz PVLKIRJXIODPNP-UHFFFAOYSA-N 1 1 376.447 4.160 20 0 GIADMO CC(C)c1ccc(C[N@@H+](C)CC(=O)NCc2ccc(OC(F)F)cc2)cc1 ZINC000030958829 820711633 /nfs/dbraw/zinc/71/16/33/820711633.db2.gz PVLKIRJXIODPNP-UHFFFAOYSA-N 1 1 376.447 4.160 20 0 GIADMO CC(C)CC(=O)Nc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1F ZINC000460762066 823506114 /nfs/dbraw/zinc/50/61/14/823506114.db2.gz ZWPZHDHFZOVTHJ-UHFFFAOYSA-N 1 1 391.531 4.195 20 0 GIADMO COc1cccc([C@@H](C)CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000177629156 823504223 /nfs/dbraw/zinc/50/42/23/823504223.db2.gz UEHMSBWZVWIHKZ-ROUUACIJSA-N 1 1 386.561 4.279 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000177640941 823506194 /nfs/dbraw/zinc/50/61/94/823506194.db2.gz CTELQGPGZLEJJJ-UHFFFAOYSA-N 1 1 379.435 4.331 20 0 GIADMO O=C(Nc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1)c1ccco1 ZINC000177632780 823504809 /nfs/dbraw/zinc/50/48/09/823504809.db2.gz WSQVERLMQHIXNF-INIZCTEOSA-N 1 1 381.476 4.125 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177611952 823500815 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4.021 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccnc1Sc1ccccc1 ZINC000031339720 820796012 /nfs/dbraw/zinc/79/60/12/820796012.db2.gz NXQDGKQWQGXJLJ-UHFFFAOYSA-N 1 1 389.524 4.021 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+](C)CCc3ccccn3)n2)cc1 ZINC000123407001 823506565 /nfs/dbraw/zinc/50/65/65/823506565.db2.gz FKOBXCLKPWQDDL-INIZCTEOSA-N 1 1 380.517 4.015 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+](C)CCc3ccccn3)n2)cc1 ZINC000123407001 823506570 /nfs/dbraw/zinc/50/65/70/823506570.db2.gz FKOBXCLKPWQDDL-INIZCTEOSA-N 1 1 380.517 4.015 20 0 GIADMO C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000177656573 823508656 /nfs/dbraw/zinc/50/86/56/823508656.db2.gz VJCNHCKTSMWQFI-WBVHZDCISA-N 1 1 376.953 4.486 20 0 GIADMO C[C@H](C1CC1)[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C1CC1 ZINC000031654624 820839455 /nfs/dbraw/zinc/83/94/55/820839455.db2.gz NUDMITATLXTUFN-RDTXWAMCSA-N 1 1 383.517 4.282 20 0 GIADMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000177661875 823509759 /nfs/dbraw/zinc/50/97/59/823509759.db2.gz WBSFRYCCUBSBIU-INIZCTEOSA-N 1 1 381.520 4.334 20 0 GIADMO C[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000031964622 820881127 /nfs/dbraw/zinc/88/11/27/820881127.db2.gz TVIQYYQRZYSGME-GFCCVEGCSA-N 1 1 383.344 4.160 20 0 GIADMO C[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000031964622 820881138 /nfs/dbraw/zinc/88/11/38/820881138.db2.gz TVIQYYQRZYSGME-GFCCVEGCSA-N 1 1 383.344 4.160 20 0 GIADMO Cc1ccc(OCCCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000123485208 823513516 /nfs/dbraw/zinc/51/35/16/823513516.db2.gz HYXJEIQKXLBQDM-UHFFFAOYSA-N 1 1 399.560 4.134 20 0 GIADMO CC(C)(CNC(=O)c1ccccc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000032369253 820927205 /nfs/dbraw/zinc/92/72/05/820927205.db2.gz HVWONQDQRMPUCE-UHFFFAOYSA-N 1 1 376.422 4.272 20 0 GIADMO C[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000032429373 820942851 /nfs/dbraw/zinc/94/28/51/820942851.db2.gz AAIIGDUAEXHATO-AWEZNQCLSA-N 1 1 392.952 4.122 20 0 GIADMO C[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000032429373 820942852 /nfs/dbraw/zinc/94/28/52/820942852.db2.gz AAIIGDUAEXHATO-AWEZNQCLSA-N 1 1 392.952 4.122 20 0 GIADMO CCCn1nc(C)c(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1C ZINC000123511703 823516192 /nfs/dbraw/zinc/51/61/92/823516192.db2.gz DDVLUVGJMZELNN-UHFFFAOYSA-N 1 1 397.567 4.255 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)o2)cc1 ZINC000123524734 823517360 /nfs/dbraw/zinc/51/73/60/823517360.db2.gz HDTNWHCRNQGMFF-QZTJIDSGSA-N 1 1 396.535 4.077 20 0 GIADMO C[N@H+](CC(=O)NC1CCCC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032543884 820966923 /nfs/dbraw/zinc/96/69/23/820966923.db2.gz YGANFJYKXVAJGR-UHFFFAOYSA-N 1 1 388.515 4.030 20 0 GIADMO C[N@@H+](CC(=O)NC1CCCC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000032543884 820966930 /nfs/dbraw/zinc/96/69/30/820966930.db2.gz YGANFJYKXVAJGR-UHFFFAOYSA-N 1 1 388.515 4.030 20 0 GIADMO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CNC(=O)C(C)C)C3)cs2)cc1 ZINC000060361053 823519675 /nfs/dbraw/zinc/51/96/75/823519675.db2.gz MFCFQDYBXPPJSP-SFHVURJKSA-N 1 1 385.577 4.357 20 0 GIADMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CNC(=O)C(C)C)C3)cs2)cc1 ZINC000060361053 823519678 /nfs/dbraw/zinc/51/96/78/823519678.db2.gz MFCFQDYBXPPJSP-SFHVURJKSA-N 1 1 385.577 4.357 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3C)CC2)cs1 ZINC000123547653 823519847 /nfs/dbraw/zinc/51/98/47/823519847.db2.gz SKQKCPSWOJRULL-BTYIYWSLSA-N 1 1 383.561 4.103 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1ccc(-c2ccccc2)nc1C)[NH+](C)C ZINC000032694713 820992949 /nfs/dbraw/zinc/99/29/49/820992949.db2.gz IAMRJCPQJJTAQN-QFIPXVFZSA-N 1 1 389.499 4.098 20 0 GIADMO C[C@H](CNC(=O)c1cc2cc(Cl)ccc2o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032724917 820997805 /nfs/dbraw/zinc/99/78/05/820997805.db2.gz VGGHHKMCMSJMLA-MRXNPFEDSA-N 1 1 397.906 4.027 20 0 GIADMO COCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000032773204 821007176 /nfs/dbraw/zinc/00/71/76/821007176.db2.gz QVVIFCSQHYBLAR-HNNXBMFYSA-N 1 1 395.330 4.319 20 0 GIADMO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000032773204 821007185 /nfs/dbraw/zinc/00/71/85/821007185.db2.gz QVVIFCSQHYBLAR-HNNXBMFYSA-N 1 1 395.330 4.319 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000060377483 823521525 /nfs/dbraw/zinc/52/15/25/823521525.db2.gz IVVBUEJEHZUCSL-IBGZPJMESA-N 1 1 397.538 4.305 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000060377483 823521530 /nfs/dbraw/zinc/52/15/30/823521530.db2.gz IVVBUEJEHZUCSL-IBGZPJMESA-N 1 1 397.538 4.305 20 0 GIADMO Cc1ccc(Br)cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000460819827 823521607 /nfs/dbraw/zinc/52/16/07/823521607.db2.gz UBXVVRSLRSLTFV-KRWDZBQOSA-N 1 1 395.728 4.444 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000123565879 823522054 /nfs/dbraw/zinc/52/20/54/823522054.db2.gz HKYSAZKGOGLRTF-UHFFFAOYSA-N 1 1 395.547 4.245 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000060395174 823523315 /nfs/dbraw/zinc/52/33/15/823523315.db2.gz IUVWMYSHXCTXBS-UHFFFAOYSA-N 1 1 396.959 4.330 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000123579339 823523433 /nfs/dbraw/zinc/52/34/33/823523433.db2.gz QJWSXZHHLQLHRY-UHFFFAOYSA-N 1 1 385.321 4.172 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000177768977 823523513 /nfs/dbraw/zinc/52/35/13/823523513.db2.gz GLUWGHSCCABYEW-NEPJUHHUSA-N 1 1 381.954 4.224 20 0 GIADMO CC[C@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(C)noc1C ZINC000123631074 823527686 /nfs/dbraw/zinc/52/76/86/823527686.db2.gz VBRDOUZSKJBHPS-PMACEKPBSA-N 1 1 384.524 4.049 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190024998 823527769 /nfs/dbraw/zinc/52/77/69/823527769.db2.gz NNMILLJBGVDBGG-UHFFFAOYSA-N 1 1 397.469 4.251 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C(F)(F)F)n2)[C@@H]1c1cccs1 ZINC000123631739 823527864 /nfs/dbraw/zinc/52/78/64/823527864.db2.gz HTMRARDLJMVGGE-BLLLJJGKSA-N 1 1 398.454 4.367 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)CCC(=O)c2cc(C)sc2C)CC1 ZINC000123631555 823527921 /nfs/dbraw/zinc/52/79/21/823527921.db2.gz UEBNCPXJVWUHEY-UHFFFAOYSA-N 1 1 378.582 4.298 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)nnn1-c1ccc(Cl)cc1 ZINC000177806616 823528310 /nfs/dbraw/zinc/52/83/10/823528310.db2.gz DAGXSBWEOMRTCQ-OAHLLOKOSA-N 1 1 392.894 4.266 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000177809593 823528646 /nfs/dbraw/zinc/52/86/46/823528646.db2.gz QQTQXKIYRGPIAT-AEFFLSMTSA-N 1 1 394.544 4.094 20 0 GIADMO O=C(NCc1sccc1Br)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060455128 823529544 /nfs/dbraw/zinc/52/95/44/823529544.db2.gz PNEVKZDTJWZDNU-HNNXBMFYSA-N 1 1 393.350 4.039 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)s1)c1ccccc1Cl ZINC000036735778 821080286 /nfs/dbraw/zinc/08/02/86/821080286.db2.gz ONNOCICQCRYEJG-LBPRGKRZSA-N 1 1 387.730 4.197 20 0 GIADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)cc1 ZINC000036755375 821081173 /nfs/dbraw/zinc/08/11/73/821081173.db2.gz JVABNPWZXQIWJX-QGZVFWFLSA-N 1 1 398.572 4.230 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)cc1 ZINC000036755375 821081180 /nfs/dbraw/zinc/08/11/80/821081180.db2.gz JVABNPWZXQIWJX-QGZVFWFLSA-N 1 1 398.572 4.230 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CSc3ccc(F)cc3)cc2)C1 ZINC000060414210 823524867 /nfs/dbraw/zinc/52/48/67/823524867.db2.gz KWLPGKBVBCBGAQ-QGZVFWFLSA-N 1 1 386.536 4.466 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000123600214 823524938 /nfs/dbraw/zinc/52/49/38/823524938.db2.gz HACBEQJVXUJCKC-UHFFFAOYSA-N 1 1 383.536 4.245 20 0 GIADMO COc1ccccc1OCCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000060414223 823525021 /nfs/dbraw/zinc/52/50/21/823525021.db2.gz DXTBMSPYGYFMKY-LJQANCHMSA-N 1 1 396.531 4.012 20 0 GIADMO COc1cc(C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C2CC2)ccc1O ZINC000190014993 823525943 /nfs/dbraw/zinc/52/59/43/823525943.db2.gz MGDZTMQXJGPJER-UHFFFAOYSA-N 1 1 377.444 4.148 20 0 GIADMO C[C@@H]1C[N@H+](CCCCNC(=O)Cc2coc3ccc4ccccc4c23)C[C@H](C)O1 ZINC000123681776 823531298 /nfs/dbraw/zinc/53/12/98/823531298.db2.gz NVMSJPXKFNIMSM-HDICACEKSA-N 1 1 394.515 4.134 20 0 GIADMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000190055510 823531353 /nfs/dbraw/zinc/53/13/53/823531353.db2.gz WLIZHZZALAUBBB-KXBFYZLASA-N 1 1 375.896 4.130 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190057019 823531542 /nfs/dbraw/zinc/53/15/42/823531542.db2.gz WYFYJQSEDUAKRP-GMAHTHKFSA-N 1 1 395.547 4.104 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(-c2cccs2)cc1 ZINC000177825949 823531601 /nfs/dbraw/zinc/53/16/01/823531601.db2.gz GYSVRZAOLFUJRQ-GOSISDBHSA-N 1 1 392.572 4.413 20 0 GIADMO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000060470318 823531707 /nfs/dbraw/zinc/53/17/07/823531707.db2.gz REPYKMMKPSQJAB-CYBMUJFWSA-N 1 1 384.530 4.068 20 0 GIADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000060470318 823531708 /nfs/dbraw/zinc/53/17/08/823531708.db2.gz REPYKMMKPSQJAB-CYBMUJFWSA-N 1 1 384.530 4.068 20 0 GIADMO O=C(CCN1c2ccccc2Sc2ccccc21)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000060470215 823531733 /nfs/dbraw/zinc/53/17/33/823531733.db2.gz WWLNURGARNFELM-INIZCTEOSA-N 1 1 379.529 4.032 20 0 GIADMO COc1ccc(OCCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000060475121 823532229 /nfs/dbraw/zinc/53/22/29/823532229.db2.gz JZMQEFQNJMJRCY-LJQANCHMSA-N 1 1 396.531 4.012 20 0 GIADMO C[N@H+](CCc1ccccc1)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000060477876 823532607 /nfs/dbraw/zinc/53/26/07/823532607.db2.gz KJGWOCKJCZQXQT-UHFFFAOYSA-N 1 1 395.816 4.009 20 0 GIADMO C[N@@H+](CCc1ccccc1)Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000060477876 823532608 /nfs/dbraw/zinc/53/26/08/823532608.db2.gz KJGWOCKJCZQXQT-UHFFFAOYSA-N 1 1 395.816 4.009 20 0 GIADMO CCN(C(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000060483129 823533122 /nfs/dbraw/zinc/53/31/22/823533122.db2.gz IISQDLAUSXMGON-UHFFFAOYSA-N 1 1 390.955 4.416 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000177832163 823533178 /nfs/dbraw/zinc/53/31/78/823533178.db2.gz IQHWLYSXWRUCMI-CVEARBPZSA-N 1 1 375.561 4.026 20 0 GIADMO CCOC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(CC)cc2)CC1 ZINC000060484508 823533391 /nfs/dbraw/zinc/53/33/91/823533391.db2.gz OHMXLEAREYZTIW-JOCHJYFZSA-N 1 1 386.561 4.017 20 0 GIADMO O=C(NCc1ccc(C(F)F)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460880728 823535190 /nfs/dbraw/zinc/53/51/90/823535190.db2.gz INSISWHAUSJKJZ-LEWJYISDSA-N 1 1 399.485 4.288 20 0 GIADMO O=C(NCc1ccc(C(F)F)cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460880730 823535285 /nfs/dbraw/zinc/53/52/85/823535285.db2.gz INSISWHAUSJKJZ-NHCUHLMSSA-N 1 1 399.485 4.288 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cnc(Cc3ccc(F)cc3)s2)c1 ZINC000123744084 823536539 /nfs/dbraw/zinc/53/65/39/823536539.db2.gz QVBOADCNGRTZCL-UHFFFAOYSA-N 1 1 393.447 4.014 20 0 GIADMO CCOc1ccc([C@@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c2ccccc2)cc1 ZINC000177857030 823537134 /nfs/dbraw/zinc/53/71/34/823537134.db2.gz IKKBAMZTMUBYKV-XXBNENTESA-N 1 1 395.547 4.158 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2sc(Cc3ccccc3)nc2C)c1 ZINC000123752979 823537428 /nfs/dbraw/zinc/53/74/28/823537428.db2.gz HALUVVPOQSGCDE-UHFFFAOYSA-N 1 1 389.484 4.184 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000177863850 823538137 /nfs/dbraw/zinc/53/81/37/823538137.db2.gz VNMVQXUVISRJRT-INIZCTEOSA-N 1 1 387.474 4.037 20 0 GIADMO O=C(Nc1ccc(OC(F)F)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000123763810 823538564 /nfs/dbraw/zinc/53/85/64/823538564.db2.gz DPXSGAGFMUPQMM-UHFFFAOYSA-N 1 1 393.409 4.167 20 0 GIADMO O=C(Nc1ccc(OC(F)F)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000123763810 823538567 /nfs/dbraw/zinc/53/85/67/823538567.db2.gz DPXSGAGFMUPQMM-UHFFFAOYSA-N 1 1 393.409 4.167 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000042122681 821269809 /nfs/dbraw/zinc/26/98/09/821269809.db2.gz RZSHFPKHCJPVKR-CTNGQTDRSA-N 1 1 398.466 4.069 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000042147769 821274449 /nfs/dbraw/zinc/27/44/49/821274449.db2.gz KGCDPNNCBLYTNS-MSOLQXFVSA-N 1 1 387.568 4.106 20 0 GIADMO CC[N@H+](Cc1ccccc1Cl)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000042157438 821276895 /nfs/dbraw/zinc/27/68/95/821276895.db2.gz LNEOWMHADVWCNK-QGZVFWFLSA-N 1 1 390.874 4.399 20 0 GIADMO CC[N@@H+](Cc1ccccc1Cl)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000042157438 821276902 /nfs/dbraw/zinc/27/69/02/821276902.db2.gz LNEOWMHADVWCNK-QGZVFWFLSA-N 1 1 390.874 4.399 20 0 GIADMO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000042225998 821288097 /nfs/dbraw/zinc/28/80/97/821288097.db2.gz VHKBDHBJSHBXNY-UHFFFAOYSA-N 1 1 395.938 4.178 20 0 GIADMO c1csc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000042229105 821288613 /nfs/dbraw/zinc/28/86/13/821288613.db2.gz MIWNFUVDBNKHBQ-QGZVFWFLSA-N 1 1 378.545 4.175 20 0 GIADMO c1csc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000042229105 821288619 /nfs/dbraw/zinc/28/86/19/821288619.db2.gz MIWNFUVDBNKHBQ-QGZVFWFLSA-N 1 1 378.545 4.175 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000042329690 821300994 /nfs/dbraw/zinc/30/09/94/821300994.db2.gz KKDVDKKLMJIYLR-CQSZACIVSA-N 1 1 392.446 4.318 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000042329690 821301006 /nfs/dbraw/zinc/30/10/06/821301006.db2.gz KKDVDKKLMJIYLR-CQSZACIVSA-N 1 1 392.446 4.318 20 0 GIADMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2C)ccc1OC(F)F ZINC000042329687 821301095 /nfs/dbraw/zinc/30/10/95/821301095.db2.gz DCQUCUUJFHABJT-ZDUSSCGKSA-N 1 1 396.409 4.203 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(F)ccc2C)ccc1OC(F)F ZINC000042329687 821301104 /nfs/dbraw/zinc/30/11/04/821301104.db2.gz DCQUCUUJFHABJT-ZDUSSCGKSA-N 1 1 396.409 4.203 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000042332831 821301408 /nfs/dbraw/zinc/30/14/08/821301408.db2.gz YBEFEBPPGUUGOO-QGZVFWFLSA-N 1 1 380.467 4.087 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000042332831 821301421 /nfs/dbraw/zinc/30/14/21/821301421.db2.gz YBEFEBPPGUUGOO-QGZVFWFLSA-N 1 1 380.467 4.087 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000042743600 821329711 /nfs/dbraw/zinc/32/97/11/821329711.db2.gz ZHRAGQRCDDSUBJ-QFIPXVFZSA-N 1 1 377.488 4.345 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1Cl ZINC000042766586 821332336 /nfs/dbraw/zinc/33/23/36/821332336.db2.gz PRQOOBBQRABTQW-LJQANCHMSA-N 1 1 388.943 4.202 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)on1 ZINC000043085738 821358952 /nfs/dbraw/zinc/35/89/52/821358952.db2.gz TVVBYOOQNWJFLM-DLBZAZTESA-N 1 1 387.549 4.268 20 0 GIADMO CCC(CC)n1nc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1C ZINC000180624578 821373144 /nfs/dbraw/zinc/37/31/44/821373144.db2.gz GGRJWFUBQGNOOT-GOSISDBHSA-N 1 1 382.552 4.289 20 0 GIADMO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043192738 821377216 /nfs/dbraw/zinc/37/72/16/821377216.db2.gz FIMSMZMRLWIDPP-UHFFFAOYSA-N 1 1 393.409 4.325 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000180638521 821378291 /nfs/dbraw/zinc/37/82/91/821378291.db2.gz KTUDAGUVRGXBHK-IRLDBZIGSA-N 1 1 395.478 4.313 20 0 GIADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000043240102 821380384 /nfs/dbraw/zinc/38/03/84/821380384.db2.gz SIEXFJMWOSYDER-QFIPXVFZSA-N 1 1 389.499 4.266 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000180649338 821382114 /nfs/dbraw/zinc/38/21/14/821382114.db2.gz QDNDLRLBUDBACY-LRDDRELGSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000180649338 821382125 /nfs/dbraw/zinc/38/21/25/821382125.db2.gz QDNDLRLBUDBACY-LRDDRELGSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000180654525 821384427 /nfs/dbraw/zinc/38/44/27/821384427.db2.gz XBEBZUMXSPEKHI-CJNGLKHVSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000180654525 821384436 /nfs/dbraw/zinc/38/44/36/821384436.db2.gz XBEBZUMXSPEKHI-CJNGLKHVSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c2cccc(F)c2)cn1 ZINC000180661403 821386640 /nfs/dbraw/zinc/38/66/40/821386640.db2.gz FCNDLKIXNUZNIR-OAQYLSRUSA-N 1 1 395.478 4.394 20 0 GIADMO COc1cccc2[nH]cc(CC[NH2+][C@@H](c3nccn3C)c3ccccc3Cl)c21 ZINC000180662463 821386896 /nfs/dbraw/zinc/38/68/96/821386896.db2.gz IZZAAZXBLDPCCD-OAQYLSRUSA-N 1 1 394.906 4.485 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1OC ZINC000043305273 821388965 /nfs/dbraw/zinc/38/89/65/821388965.db2.gz LKPHAVFZQZKQIK-JOCHJYFZSA-N 1 1 394.446 4.313 20 0 GIADMO CC[C@H](CSC)[N@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000180671674 821389953 /nfs/dbraw/zinc/38/99/53/821389953.db2.gz USBOMQZYSFCSRD-QGZVFWFLSA-N 1 1 377.579 4.206 20 0 GIADMO CC[C@H](CSC)[N@@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000180671674 821389964 /nfs/dbraw/zinc/38/99/64/821389964.db2.gz USBOMQZYSFCSRD-QGZVFWFLSA-N 1 1 377.579 4.206 20 0 GIADMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1nnc(C2CC2)s1 ZINC000043359611 821397813 /nfs/dbraw/zinc/39/78/13/821397813.db2.gz FXVIHZOTGBMRKQ-HNNXBMFYSA-N 1 1 391.928 4.028 20 0 GIADMO CN(C)[C@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000043391379 821401156 /nfs/dbraw/zinc/40/11/56/821401156.db2.gz YHJMYBDALXZRIZ-OAQYLSRUSA-N 1 1 398.551 4.469 20 0 GIADMO COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCc1cccs1 ZINC000180734075 821423502 /nfs/dbraw/zinc/42/35/02/821423502.db2.gz BZZPYMVDIUADBT-QUCCMNQESA-N 1 1 386.561 4.252 20 0 GIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 ZINC000043552431 821427030 /nfs/dbraw/zinc/42/70/30/821427030.db2.gz WUZDFIZFZHCKAV-BETUJISGSA-N 1 1 387.496 4.011 20 0 GIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 ZINC000043552431 821427032 /nfs/dbraw/zinc/42/70/32/821427032.db2.gz WUZDFIZFZHCKAV-BETUJISGSA-N 1 1 387.496 4.011 20 0 GIADMO Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000180749609 821433337 /nfs/dbraw/zinc/43/33/37/821433337.db2.gz ROSIYBGQYUNOQP-PZJWPPBQSA-N 1 1 389.902 4.065 20 0 GIADMO Cc1ccc(CC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000180749609 821433342 /nfs/dbraw/zinc/43/33/42/821433342.db2.gz ROSIYBGQYUNOQP-PZJWPPBQSA-N 1 1 389.902 4.065 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000043633682 821433325 /nfs/dbraw/zinc/43/33/25/821433325.db2.gz XSKBXTXGRNXXGM-UHFFFAOYSA-N 1 1 398.454 4.210 20 0 GIADMO Cc1nc(CC(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000180753355 821434790 /nfs/dbraw/zinc/43/47/90/821434790.db2.gz JQSJUNMMWXHFGV-PKOBYXMFSA-N 1 1 395.931 4.127 20 0 GIADMO Cc1nc(CC(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000180753355 821434794 /nfs/dbraw/zinc/43/47/94/821434794.db2.gz JQSJUNMMWXHFGV-PKOBYXMFSA-N 1 1 395.931 4.127 20 0 GIADMO Brc1ccc(-c2nccc(C[N@H+](Cc3ccncc3)C3CC3)n2)cc1 ZINC000180754946 821436123 /nfs/dbraw/zinc/43/61/23/821436123.db2.gz ZYSJYVQGOVVGTC-UHFFFAOYSA-N 1 1 395.304 4.466 20 0 GIADMO Brc1ccc(-c2nccc(C[N@@H+](Cc3ccncc3)C3CC3)n2)cc1 ZINC000180754946 821436128 /nfs/dbraw/zinc/43/61/28/821436128.db2.gz ZYSJYVQGOVVGTC-UHFFFAOYSA-N 1 1 395.304 4.466 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000043687971 821441801 /nfs/dbraw/zinc/44/18/01/821441801.db2.gz TZYUVBBCJRUMOC-QFIPXVFZSA-N 1 1 394.515 4.032 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000043687971 821441808 /nfs/dbraw/zinc/44/18/08/821441808.db2.gz TZYUVBBCJRUMOC-QFIPXVFZSA-N 1 1 394.515 4.032 20 0 GIADMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000043687973 821441982 /nfs/dbraw/zinc/44/19/82/821441982.db2.gz TZYUVBBCJRUMOC-JOCHJYFZSA-N 1 1 394.515 4.032 20 0 GIADMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000043687973 821441985 /nfs/dbraw/zinc/44/19/85/821441985.db2.gz TZYUVBBCJRUMOC-JOCHJYFZSA-N 1 1 394.515 4.032 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000180768873 821444586 /nfs/dbraw/zinc/44/45/86/821444586.db2.gz FQRWJVNHAPSKIP-UHFFFAOYSA-N 1 1 397.357 4.015 20 0 GIADMO CC(C)n1ncc2cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(Cl)nc21 ZINC000180781304 821453733 /nfs/dbraw/zinc/45/37/33/821453733.db2.gz XVVZIOSBPFGMJC-DNVCBOLYSA-N 1 1 387.959 4.114 20 0 GIADMO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000043802784 821460930 /nfs/dbraw/zinc/46/09/30/821460930.db2.gz MNTRKVWRPCRWGM-LAUBAEHRSA-N 1 1 378.472 4.133 20 0 GIADMO Cn1cc(C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)c(C(F)(F)F)n1 ZINC000180793553 821462335 /nfs/dbraw/zinc/46/23/35/821462335.db2.gz SMPSOIIKGKMTDN-UHFFFAOYSA-N 1 1 390.409 4.045 20 0 GIADMO Cn1cc(C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)c(C(F)(F)F)n1 ZINC000180793553 821462340 /nfs/dbraw/zinc/46/23/40/821462340.db2.gz SMPSOIIKGKMTDN-UHFFFAOYSA-N 1 1 390.409 4.045 20 0 GIADMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000180827218 821483844 /nfs/dbraw/zinc/48/38/44/821483844.db2.gz RQGDYQVIHHSTBL-CYBMUJFWSA-N 1 1 398.359 4.417 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2cccc(OCC(F)F)c2)c2cccc(F)c2)cn1 ZINC000180846183 821491455 /nfs/dbraw/zinc/49/14/55/821491455.db2.gz NNAOLKJUOCINLL-HXUWFJFHSA-N 1 1 375.394 4.082 20 0 GIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000180853729 821496288 /nfs/dbraw/zinc/49/62/88/821496288.db2.gz PCYAZHHVDLUOLB-CHWSQXEVSA-N 1 1 387.833 4.056 20 0 GIADMO COc1cc(OC)c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000180855243 821496842 /nfs/dbraw/zinc/49/68/42/821496842.db2.gz NGNCXNGAOIMNLI-UONOGXRCSA-N 1 1 395.931 4.132 20 0 GIADMO Cc1sc2nc([C@@H](C)[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)nc(N)c2c1C ZINC000180855576 821496907 /nfs/dbraw/zinc/49/69/07/821496907.db2.gz KJVPWSKJQMIBDL-UONOGXRCSA-N 1 1 392.532 4.488 20 0 GIADMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000180892779 821519401 /nfs/dbraw/zinc/51/94/01/821519401.db2.gz WSRVWTUTMIQATC-ZFWWWQNUSA-N 1 1 390.553 4.007 20 0 GIADMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089970 821521232 /nfs/dbraw/zinc/52/12/32/821521232.db2.gz YMSPLQJKVZYPIX-BEFAXECRSA-N 1 1 397.471 4.077 20 0 GIADMO CCn1c2ccc(Cl)cc2nc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000180907768 821529337 /nfs/dbraw/zinc/52/93/37/821529337.db2.gz VOOJCMKREZJZHI-UHFFFAOYSA-N 1 1 397.910 4.268 20 0 GIADMO COc1cc(F)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000044235530 821552441 /nfs/dbraw/zinc/55/24/41/821552441.db2.gz DLPIUHVEBADOFU-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO COc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000044235530 821552449 /nfs/dbraw/zinc/55/24/49/821552449.db2.gz DLPIUHVEBADOFU-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000180958210 821556763 /nfs/dbraw/zinc/55/67/63/821556763.db2.gz GHOBZRYLORHTAD-LBPRGKRZSA-N 1 1 382.291 4.028 20 0 GIADMO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(-c2ccccc2)o1 ZINC000180985032 821574895 /nfs/dbraw/zinc/57/48/95/821574895.db2.gz STFNICSUKMPJFD-JOCHJYFZSA-N 1 1 376.500 4.193 20 0 GIADMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180992940 821580369 /nfs/dbraw/zinc/58/03/69/821580369.db2.gz VJIYBNJXHDLDRU-UONOGXRCSA-N 1 1 389.496 4.011 20 0 GIADMO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Oc3ccccc3)cc2)no1 ZINC000044591171 821617148 /nfs/dbraw/zinc/61/71/48/821617148.db2.gz LUUNWDREMAYKCW-MBSDFSHPSA-N 1 1 394.471 4.352 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Oc3ccccc3)cc2)no1 ZINC000044591171 821617153 /nfs/dbraw/zinc/61/71/53/821617153.db2.gz LUUNWDREMAYKCW-MBSDFSHPSA-N 1 1 394.471 4.352 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1cc(F)ccc1F ZINC000181103802 821634484 /nfs/dbraw/zinc/63/44/84/821634484.db2.gz OBVSECAGYZYUPM-PXAZEXFGSA-N 1 1 383.460 4.179 20 0 GIADMO CCCn1c(C)nnc1C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181140111 821659007 /nfs/dbraw/zinc/65/90/07/821659007.db2.gz ORRYSNRRKJOTQI-OAQYLSRUSA-N 1 1 382.483 4.218 20 0 GIADMO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000181141912 821660267 /nfs/dbraw/zinc/66/02/67/821660267.db2.gz GZORIZJTTJSFSX-SFHVURJKSA-N 1 1 377.488 4.056 20 0 GIADMO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000181141912 821660273 /nfs/dbraw/zinc/66/02/73/821660273.db2.gz GZORIZJTTJSFSX-SFHVURJKSA-N 1 1 377.488 4.056 20 0 GIADMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(Br)c1 ZINC000181146974 821662619 /nfs/dbraw/zinc/66/26/19/821662619.db2.gz DEUJUBAPBMABRJ-WBVHZDCISA-N 1 1 375.266 4.002 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1nc2ccccc2o1)c1ccccc1OCC(=O)N(C)C ZINC000181226809 821706655 /nfs/dbraw/zinc/70/66/55/821706655.db2.gz HMLBENPYKHRORQ-RDJZCZTQSA-N 1 1 381.476 4.097 20 0 GIADMO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2noc3c2CCCC3)cc1 ZINC000181235444 821711761 /nfs/dbraw/zinc/71/17/61/821711761.db2.gz DXFJXWDAZDVLFS-UHFFFAOYSA-N 1 1 394.519 4.241 20 0 GIADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2noc3c2CCCC3)cc1 ZINC000181235444 821711768 /nfs/dbraw/zinc/71/17/68/821711768.db2.gz DXFJXWDAZDVLFS-UHFFFAOYSA-N 1 1 394.519 4.241 20 0 GIADMO Cc1noc(C)c1[C@@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295533 821740599 /nfs/dbraw/zinc/74/05/99/821740599.db2.gz HBQVDJAXAXLLOD-BTYIYWSLSA-N 1 1 382.504 4.091 20 0 GIADMO Cc1noc(C)c1[C@@H](C)CC(=O)O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295490 821740712 /nfs/dbraw/zinc/74/07/12/821740712.db2.gz HBQVDJAXAXLLOD-YCRPNKLZSA-N 1 1 382.504 4.091 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000181353192 821781764 /nfs/dbraw/zinc/78/17/64/821781764.db2.gz SRZDNAPSTFPSQQ-HNNXBMFYSA-N 1 1 379.435 4.458 20 0 GIADMO O=S(=O)(c1ccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)o1)N1CCCC1 ZINC000181357407 821784610 /nfs/dbraw/zinc/78/46/10/821784610.db2.gz ONLIIFBMKNNJKO-FQEVSTJZSA-N 1 1 388.533 4.085 20 0 GIADMO FC(F)Oc1ccc(-n2nnnc2C[NH2+][C@H](CC2CCC2)c2ccccc2)cc1 ZINC000181360200 821786610 /nfs/dbraw/zinc/78/66/10/821786610.db2.gz VDGMSZCPLCASOM-LJQANCHMSA-N 1 1 399.445 4.285 20 0 GIADMO Cc1cccc(C)c1OC[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000181381188 821796746 /nfs/dbraw/zinc/79/67/46/821796746.db2.gz UVPXJNSTXKXCML-QFIPXVFZSA-N 1 1 399.494 4.221 20 0 GIADMO COCCc1nc(C)c([C@@H](C)NC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000181383549 821798255 /nfs/dbraw/zinc/79/82/55/821798255.db2.gz OHEZOQOQVUFMOH-QGZVFWFLSA-N 1 1 387.593 4.264 20 0 GIADMO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(F)cc2Br)s1 ZINC000181388536 821800591 /nfs/dbraw/zinc/80/05/91/821800591.db2.gz PCYPVFWLWZMSTO-JTQLQIEISA-N 1 1 387.318 4.393 20 0 GIADMO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1nc2c(s1)CCCC2 ZINC000181392603 821802798 /nfs/dbraw/zinc/80/27/98/821802798.db2.gz VBUSRMXXQQHAPD-XHDPSFHLSA-N 1 1 381.339 4.169 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000181421561 821817819 /nfs/dbraw/zinc/81/78/19/821817819.db2.gz LPKPEOAVXYPOOK-RTWAWAEBSA-N 1 1 380.536 4.359 20 0 GIADMO COc1ccc(C[C@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)c2ccc(OC)cc2)cc1 ZINC000181424797 821820220 /nfs/dbraw/zinc/82/02/20/821820220.db2.gz MBHUVXXVNCOVMZ-MWTRTKDXSA-N 1 1 379.504 4.240 20 0 GIADMO C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181429339 821822236 /nfs/dbraw/zinc/82/22/36/821822236.db2.gz JNFFREBOEMPRFU-NVXWUHKLSA-N 1 1 376.928 4.072 20 0 GIADMO COc1ccccc1[C@H]([NH2+][C@H](C)Cn1cc(Br)cn1)c1ccco1 ZINC000181431252 821823778 /nfs/dbraw/zinc/82/37/78/821823778.db2.gz WAEVQLJCCUALSK-ACJLOTCBSA-N 1 1 390.281 4.015 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1c(C)cc(C)cc1Cl)c1ccc(F)c(F)c1 ZINC000181447247 821829811 /nfs/dbraw/zinc/82/98/11/821829811.db2.gz MJLGUJUCMJZLNF-KRWDZBQOSA-N 1 1 382.838 4.151 20 0 GIADMO CCn1c2cccc(F)c2nc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181449930 821831567 /nfs/dbraw/zinc/83/15/67/821831567.db2.gz FOSQZUVIUOTVGM-OAHLLOKOSA-N 1 1 380.467 4.173 20 0 GIADMO Cn1c(C[NH2+]C2(c3cccc(Br)c3)CCC2)nnc1C1CCC1 ZINC000181455060 821833669 /nfs/dbraw/zinc/83/36/69/821833669.db2.gz ODDNKHVBCWETJO-UHFFFAOYSA-N 1 1 375.314 4.014 20 0 GIADMO C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000181479512 821844472 /nfs/dbraw/zinc/84/44/72/821844472.db2.gz UYHAXLHNJOWCPK-HZMBPMFUSA-N 1 1 379.715 4.068 20 0 GIADMO C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000181479512 821844482 /nfs/dbraw/zinc/84/44/82/821844482.db2.gz UYHAXLHNJOWCPK-HZMBPMFUSA-N 1 1 379.715 4.068 20 0 GIADMO COc1cc2c(cc1NC(=O)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O)oc1ccccc12 ZINC000181482922 821846247 /nfs/dbraw/zinc/84/62/47/821846247.db2.gz FNZMSQDIFSOYRT-BEFAXECRSA-N 1 1 396.487 4.016 20 0 GIADMO Cc1cc(Br)ccc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181493391 821851458 /nfs/dbraw/zinc/85/14/58/821851458.db2.gz BGJIWRLUVCPQOT-GJZGRUSLSA-N 1 1 379.342 4.140 20 0 GIADMO Cc1nc(C)c(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)s1 ZINC000181493630 821852085 /nfs/dbraw/zinc/85/20/85/821852085.db2.gz GORWUDJMSPGPPL-UHFFFAOYSA-N 1 1 398.359 4.461 20 0 GIADMO CC[C@@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCO1 ZINC000181495921 821853112 /nfs/dbraw/zinc/85/31/12/821853112.db2.gz GZNHHPHDLVSCFF-HNAYVOBHSA-N 1 1 399.362 4.279 20 0 GIADMO C[C@H]1CC[C@H](CCC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000181496934 821853642 /nfs/dbraw/zinc/85/36/42/821853642.db2.gz XQBRGIWDNQOGHV-IFXJQAMLSA-N 1 1 399.362 4.422 20 0 GIADMO CSCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181496688 821853831 /nfs/dbraw/zinc/85/38/31/821853831.db2.gz LEGFQKKZXMVWED-UHFFFAOYSA-N 1 1 375.365 4.217 20 0 GIADMO COCCC[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181498871 821854861 /nfs/dbraw/zinc/85/48/61/821854861.db2.gz KRIBIRGLPKQGMZ-CQSZACIVSA-N 1 1 387.351 4.137 20 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/nfs/dbraw/zinc/43/55/08/822435508.db2.gz ANLQATMIQIWTDP-MRXNPFEDSA-N 1 1 397.548 4.416 20 0 GIADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccc(N(C)C)cc2C)CC1 ZINC000046030516 822436641 /nfs/dbraw/zinc/43/66/41/822436641.db2.gz YDODXDHRSILWLC-UHFFFAOYSA-N 1 1 380.536 4.109 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCSc3ccc(F)cc32)[C@@H]1c1ccccc1 ZINC000179086537 822436768 /nfs/dbraw/zinc/43/67/68/822436768.db2.gz ZMGBHTLWXGCIFX-HBFSDRIKSA-N 1 1 385.508 4.107 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000046060695 822438370 /nfs/dbraw/zinc/43/83/70/822438370.db2.gz JTQFUXXLCNWZBB-XUZZJYLKSA-N 1 1 394.515 4.199 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000046060702 822438382 /nfs/dbraw/zinc/43/83/82/822438382.db2.gz DOAUCAHKSUJRTC-INIZCTEOSA-N 1 1 380.916 4.248 20 0 GIADMO Cc1noc(C)c1C[N@H+](C)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000046060702 822438384 /nfs/dbraw/zinc/43/83/84/822438384.db2.gz DOAUCAHKSUJRTC-INIZCTEOSA-N 1 1 380.916 4.248 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NC3(c4ccc(F)cc4F)CCCC3)CC2)[nH+]c1 ZINC000179105453 822438596 /nfs/dbraw/zinc/43/85/96/822438596.db2.gz COOZYSDEXSPTKY-UHFFFAOYSA-N 1 1 399.485 4.470 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000046089363 822440652 /nfs/dbraw/zinc/44/06/52/822440652.db2.gz UGYDHCSJHLBAOU-MOPGFXCFSA-N 1 1 398.528 4.020 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000046088861 822440697 /nfs/dbraw/zinc/44/06/97/822440697.db2.gz AMEZWJBAOXKGTD-IBGZPJMESA-N 1 1 385.533 4.006 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000046088861 822440698 /nfs/dbraw/zinc/44/06/98/822440698.db2.gz AMEZWJBAOXKGTD-IBGZPJMESA-N 1 1 385.533 4.006 20 0 GIADMO Cn1cc(Cl)c(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000454227842 822441125 /nfs/dbraw/zinc/44/11/25/822441125.db2.gz NGDIRCFOCACAQT-UHFFFAOYSA-N 1 1 389.931 4.160 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183204036 822441082 /nfs/dbraw/zinc/44/10/82/822441082.db2.gz JRSJYXQMWUSREF-CYBMUJFWSA-N 1 1 391.397 4.350 20 0 GIADMO O=C(Nc1nccs1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000179128882 822441214 /nfs/dbraw/zinc/44/12/14/822441214.db2.gz ZSIGNHCLOHJCFQ-UHFFFAOYSA-N 1 1 376.485 4.063 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000183216201 822442968 /nfs/dbraw/zinc/44/29/68/822442968.db2.gz NCQQZBIARRIYJG-KRWDZBQOSA-N 1 1 389.503 4.109 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000046129567 822442998 /nfs/dbraw/zinc/44/29/98/822442998.db2.gz BNJUMQHYWUPFPO-KDURUIRLSA-N 1 1 395.547 4.212 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1)Nc1cccc(F)c1 ZINC000183220382 822443611 /nfs/dbraw/zinc/44/36/11/822443611.db2.gz UXUSKDITMYYZEN-QGZVFWFLSA-N 1 1 392.478 4.408 20 0 GIADMO CC[C@H](CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)c1ccc(OC)cc1 ZINC000179149013 822443939 /nfs/dbraw/zinc/44/39/39/822443939.db2.gz ZPZSFVWVTPFQPM-LJQANCHMSA-N 1 1 395.547 4.360 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2ncco2)c1)c1ccccc1Cl ZINC000179150776 822444205 /nfs/dbraw/zinc/44/42/05/822444205.db2.gz SKYZHADWGWWCHL-SFHVURJKSA-N 1 1 384.867 4.419 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000179153656 822444548 /nfs/dbraw/zinc/44/45/48/822444548.db2.gz NDCKNQLLWMDPJF-YXJHDRRASA-N 1 1 386.565 4.246 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(N4CCOC4=O)cc3)cc2)C1 ZINC000046156490 822445578 /nfs/dbraw/zinc/44/55/78/822445578.db2.gz RXQCVPPUADJVQC-QGZVFWFLSA-N 1 1 393.487 4.127 20 0 GIADMO COc1cc(Br)c(C[N@H+](C)C[C@H](C)c2nccs2)c(OC)c1 ZINC000183250112 822448352 /nfs/dbraw/zinc/44/83/52/822448352.db2.gz FPAGZBFAKAGTBO-NSHDSACASA-N 1 1 385.327 4.158 20 0 GIADMO COc1cc(Br)c(C[N@@H+](C)C[C@H](C)c2nccs2)c(OC)c1 ZINC000183250112 822448353 /nfs/dbraw/zinc/44/83/53/822448353.db2.gz FPAGZBFAKAGTBO-NSHDSACASA-N 1 1 385.327 4.158 20 0 GIADMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(N2CCCC2)c1 ZINC000179195708 822449207 /nfs/dbraw/zinc/44/92/07/822449207.db2.gz JHZFNZZRQQBEKD-OFAXGOBFSA-N 1 1 392.547 4.092 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ncc(Br)s1 ZINC000179197447 822449574 /nfs/dbraw/zinc/44/95/74/822449574.db2.gz BJDHLYAFYRLPKG-LBPRGKRZSA-N 1 1 377.311 4.001 20 0 GIADMO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000179205751 822450807 /nfs/dbraw/zinc/45/08/07/822450807.db2.gz QWNLEYFKRSJHQE-NSHDSACASA-N 1 1 382.327 4.495 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccc2c(c1)OCCO2 ZINC000179210258 822451638 /nfs/dbraw/zinc/45/16/38/822451638.db2.gz HYNLIEGVQIKXJZ-CMPLNLGQSA-N 1 1 383.311 4.479 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000183271866 822451760 /nfs/dbraw/zinc/45/17/60/822451760.db2.gz NWTPOQFIPHORCY-UHFFFAOYSA-N 1 1 375.432 4.044 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ncc(Br)s1 ZINC000179214047 822452322 /nfs/dbraw/zinc/45/23/22/822452322.db2.gz NTKMWINBHXCGLY-QWRGUYRKSA-N 1 1 396.310 4.274 20 0 GIADMO C[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230715 822454175 /nfs/dbraw/zinc/45/41/75/822454175.db2.gz PXFWEZJRFUAWDU-DZGCQCFKSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230715 822454176 /nfs/dbraw/zinc/45/41/76/822454176.db2.gz PXFWEZJRFUAWDU-DZGCQCFKSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230726 822454212 /nfs/dbraw/zinc/45/42/12/822454212.db2.gz PXFWEZJRFUAWDU-UKRRQHHQSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ncc(Br)s1 ZINC000179230726 822454215 /nfs/dbraw/zinc/45/42/15/822454215.db2.gz PXFWEZJRFUAWDU-UKRRQHHQSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@@H](NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ncc(Br)s1 ZINC000179236646 822455491 /nfs/dbraw/zinc/45/54/91/822455491.db2.gz WWOZPSUZJFFYML-ZIAGYGMSSA-N 1 1 382.371 4.467 20 0 GIADMO O=C1CCCN1c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183314941 822457765 /nfs/dbraw/zinc/45/77/65/822457765.db2.gz TXMYPTOHAFOQTJ-HSZRJFAPSA-N 1 1 375.447 4.227 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)C1 ZINC000454326953 822458213 /nfs/dbraw/zinc/45/82/13/822458213.db2.gz OGXDZQKBBHFVGX-YVSFHVDLSA-N 1 1 377.495 4.117 20 0 GIADMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179262408 822458616 /nfs/dbraw/zinc/45/86/16/822458616.db2.gz DEBMVFMDPZZCDC-XFQXTVEOSA-N 1 1 394.544 4.444 20 0 GIADMO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)[N@H+]1CCCC[C@@H]1C ZINC000046339022 822462730 /nfs/dbraw/zinc/46/27/30/822462730.db2.gz OROKYYUTKQSYQE-IRXDYDNUSA-N 1 1 375.538 4.316 20 0 GIADMO CCc1nocc1CN(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000454377731 822465189 /nfs/dbraw/zinc/46/51/89/822465189.db2.gz VZHALUKKXQLRRX-UHFFFAOYSA-N 1 1 398.551 4.343 20 0 GIADMO COc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Cc1ccccc1 ZINC000454377755 822465216 /nfs/dbraw/zinc/46/52/16/822465216.db2.gz WCIYRLUAXAVUQQ-XMMPIXPASA-N 1 1 393.531 4.236 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000179325321 822466311 /nfs/dbraw/zinc/46/63/11/822466311.db2.gz JSBZLVRRMNTYEV-QFIPXVFZSA-N 1 1 386.580 4.094 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000179327140 822466554 /nfs/dbraw/zinc/46/65/54/822466554.db2.gz KWVATZPNZWFZJE-UHFFFAOYSA-N 1 1 392.540 4.251 20 0 GIADMO O=C(CC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1)Nc1ccccc1C(F)(F)F ZINC000183391430 822467631 /nfs/dbraw/zinc/46/76/31/822467631.db2.gz BTALGWOGTXBIIR-INIZCTEOSA-N 1 1 396.384 4.326 20 0 GIADMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000179347123 822468880 /nfs/dbraw/zinc/46/88/80/822468880.db2.gz NYBGQCMUQPPLGC-LJQANCHMSA-N 1 1 397.519 4.150 20 0 GIADMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179364120 822471805 /nfs/dbraw/zinc/47/18/05/822471805.db2.gz FYYGAGVEOHTCDE-UHFFFAOYSA-N 1 1 378.451 4.067 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2)C[C@@H](C)O1 ZINC000046419708 822472091 /nfs/dbraw/zinc/47/20/91/822472091.db2.gz VSWRXECLCLCDAB-ZIAGYGMSSA-N 1 1 376.859 4.341 20 0 GIADMO COCCO[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000179368388 822472207 /nfs/dbraw/zinc/47/22/07/822472207.db2.gz JMZNLTXQBPWFPB-YJBOKZPZSA-N 1 1 378.900 4.492 20 0 GIADMO COCCO[C@H]1CCC[N@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000179368388 822472209 /nfs/dbraw/zinc/47/22/09/822472209.db2.gz JMZNLTXQBPWFPB-YJBOKZPZSA-N 1 1 378.900 4.492 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCCc4cc(F)ccc43)cc2)C[C@H](C)O1 ZINC000046443064 822473420 /nfs/dbraw/zinc/47/34/20/822473420.db2.gz LYMWIRIAPIYVCU-IRXDYDNUSA-N 1 1 382.479 4.028 20 0 GIADMO CCOc1c(Br)cc(C[N@H+](C)Cc2cnc(C)s2)cc1OC ZINC000179381048 822473909 /nfs/dbraw/zinc/47/39/09/822473909.db2.gz BEKTZNCHQLPFBH-UHFFFAOYSA-N 1 1 385.327 4.253 20 0 GIADMO CCOc1c(Br)cc(C[N@@H+](C)Cc2cnc(C)s2)cc1OC ZINC000179381048 822473913 /nfs/dbraw/zinc/47/39/13/822473913.db2.gz BEKTZNCHQLPFBH-UHFFFAOYSA-N 1 1 385.327 4.253 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc21 ZINC000183447748 822476374 /nfs/dbraw/zinc/47/63/74/822476374.db2.gz INEFYLVTTAOAFK-FUHWJXTLSA-N 1 1 383.540 4.392 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc21 ZINC000183447788 822476546 /nfs/dbraw/zinc/47/65/46/822476546.db2.gz INEFYLVTTAOAFK-WMZOPIPTSA-N 1 1 383.540 4.392 20 0 GIADMO CSCCc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183459081 822478163 /nfs/dbraw/zinc/47/81/63/822478163.db2.gz CQHRGGQUUKPSTD-AEFFLSMTSA-N 1 1 375.582 4.367 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000183464775 822478974 /nfs/dbraw/zinc/47/89/74/822478974.db2.gz OOJOHTAWPYPXHV-CQSZACIVSA-N 1 1 382.435 4.285 20 0 GIADMO Cc1nnc(CN2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)o1 ZINC000046517547 822480480 /nfs/dbraw/zinc/48/04/80/822480480.db2.gz AOYBAXLXSCQEAA-UHFFFAOYSA-N 1 1 388.924 4.078 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cs1)c1cccc(C)c1C ZINC000179424592 822480586 /nfs/dbraw/zinc/48/05/86/822480586.db2.gz LUPIDAKWGZVWAB-DNVCBOLYSA-N 1 1 387.549 4.180 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cs1)c1cccc(C)c1C ZINC000179424592 822480587 /nfs/dbraw/zinc/48/05/87/822480587.db2.gz LUPIDAKWGZVWAB-DNVCBOLYSA-N 1 1 387.549 4.180 20 0 GIADMO C[C@H](NC(=O)Nc1cc(Br)ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183480029 822482618 /nfs/dbraw/zinc/48/26/18/822482618.db2.gz DDPSFUQYZGIBBE-STQMWFEESA-N 1 1 398.320 4.363 20 0 GIADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000454501244 822485877 /nfs/dbraw/zinc/48/58/77/822485877.db2.gz XPTVFFLXIFPAHD-HXUWFJFHSA-N 1 1 394.519 4.195 20 0 GIADMO CCOCc1cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)ccc1OC ZINC000179460842 822486108 /nfs/dbraw/zinc/48/61/08/822486108.db2.gz AVRBZGRJSFSGNK-UHFFFAOYSA-N 1 1 382.548 4.328 20 0 GIADMO CCOCc1cc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000179460842 822486112 /nfs/dbraw/zinc/48/61/12/822486112.db2.gz AVRBZGRJSFSGNK-UHFFFAOYSA-N 1 1 382.548 4.328 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N(Cc2ccco2)c2ccccc2)C2CC2)n1 ZINC000183499770 822486536 /nfs/dbraw/zinc/48/65/36/822486536.db2.gz QJWQAINXGPOZEN-HXUWFJFHSA-N 1 1 381.501 4.319 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H]1c1ccccc1 ZINC000179478938 822488553 /nfs/dbraw/zinc/48/85/53/822488553.db2.gz IMWSUJVYGAXJSR-PXNSSMCTSA-N 1 1 376.460 4.272 20 0 GIADMO C[C@H](NC(=O)Nc1cc(F)ccc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183520313 822489291 /nfs/dbraw/zinc/48/92/91/822489291.db2.gz CUSKHFHWSBGFQA-STQMWFEESA-N 1 1 385.430 4.202 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000046593636 822489491 /nfs/dbraw/zinc/48/94/91/822489491.db2.gz LTOHMKODIPZFGX-GJZGRUSLSA-N 1 1 379.570 4.034 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000179497602 822491428 /nfs/dbraw/zinc/49/14/28/822491428.db2.gz WQTMNNFIHZEWGO-GCJKJVERSA-N 1 1 381.520 4.460 20 0 GIADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183544354 822492637 /nfs/dbraw/zinc/49/26/37/822492637.db2.gz GXHTZFKDVQJIBJ-XLIONFOSSA-N 1 1 387.549 4.158 20 0 GIADMO c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179513089 822494091 /nfs/dbraw/zinc/49/40/91/822494091.db2.gz KAVJUHAPTZLUOU-SFHVURJKSA-N 1 1 375.476 4.249 20 0 GIADMO c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179513089 822494093 /nfs/dbraw/zinc/49/40/93/822494093.db2.gz KAVJUHAPTZLUOU-SFHVURJKSA-N 1 1 375.476 4.249 20 0 GIADMO c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179513089 822494095 /nfs/dbraw/zinc/49/40/95/822494095.db2.gz KAVJUHAPTZLUOU-SFHVURJKSA-N 1 1 375.476 4.249 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000046642462 822497048 /nfs/dbraw/zinc/49/70/48/822497048.db2.gz WGZDBJPRNDRVGJ-UHFFFAOYSA-N 1 1 392.421 4.062 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000046643355 822497262 /nfs/dbraw/zinc/49/72/62/822497262.db2.gz DILXEBFASKCBTK-OALUTQOASA-N 1 1 396.531 4.013 20 0 GIADMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000179528055 822497510 /nfs/dbraw/zinc/49/75/10/822497510.db2.gz YSJLLEXVUGCVMU-MRXNPFEDSA-N 1 1 375.451 4.356 20 0 GIADMO Cc1cccc([C@@H]([NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c2ccccn2)c1 ZINC000179535275 822499111 /nfs/dbraw/zinc/49/91/11/822499111.db2.gz GNPVVSXKJKPLRR-VGOFRKELSA-N 1 1 395.528 4.202 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(-n2cccn2)c1 ZINC000183599721 822499575 /nfs/dbraw/zinc/49/95/75/822499575.db2.gz NFSTUOYURZJECA-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)s1 ZINC000183603651 822500131 /nfs/dbraw/zinc/50/01/31/822500131.db2.gz XSUZROLSFWZDBF-UHFFFAOYSA-N 1 1 398.498 4.004 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)s1 ZINC000183603651 822500132 /nfs/dbraw/zinc/50/01/32/822500132.db2.gz XSUZROLSFWZDBF-UHFFFAOYSA-N 1 1 398.498 4.004 20 0 GIADMO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000179546343 822500869 /nfs/dbraw/zinc/50/08/69/822500869.db2.gz ATYLCBIVMRGEPY-DNVCBOLYSA-N 1 1 390.890 4.305 20 0 GIADMO CCn1nc(C)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1C ZINC000179546011 822500917 /nfs/dbraw/zinc/50/09/17/822500917.db2.gz RHSLIKCURXAVCQ-SFTDATJTSA-N 1 1 395.551 4.038 20 0 GIADMO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000179551852 822502037 /nfs/dbraw/zinc/50/20/37/822502037.db2.gz OYLUEKFQDRMUIH-XOBRGWDASA-N 1 1 398.869 4.365 20 0 GIADMO Cc1ccc(-c2cc(C[NH2+][C@@H](CN3CCCC3=O)c3ccccc3)on2)cc1 ZINC000179553437 822502379 /nfs/dbraw/zinc/50/23/79/822502379.db2.gz RJLWGNADYCDHQG-QFIPXVFZSA-N 1 1 375.472 4.103 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccccc1OCC(=O)N(C)C ZINC000179558976 822503512 /nfs/dbraw/zinc/50/35/12/822503512.db2.gz JOPZBBSAUVQMHK-RDTXWAMCSA-N 1 1 376.447 4.234 20 0 GIADMO CCc1nn(C)cc1C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000179578048 822506098 /nfs/dbraw/zinc/50/60/98/822506098.db2.gz RZINNZHAGPWBFT-AWEZNQCLSA-N 1 1 396.457 4.241 20 0 GIADMO CCc1nn(C)cc1C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000179578048 822506102 /nfs/dbraw/zinc/50/61/02/822506102.db2.gz RZINNZHAGPWBFT-AWEZNQCLSA-N 1 1 396.457 4.241 20 0 GIADMO Cc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1-c1cccc(F)c1 ZINC000183656995 822506690 /nfs/dbraw/zinc/50/66/90/822506690.db2.gz KAHQWBSMZQCWKB-SJORKVTESA-N 1 1 399.514 4.094 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@H](CCO)C(C)(C)C)cs1 ZINC000183672419 822508852 /nfs/dbraw/zinc/50/88/52/822508852.db2.gz LPLDNBQWVCRBIU-LJQANCHMSA-N 1 1 389.565 4.277 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nc(Cc3ccccc3C)no2)cc1 ZINC000183675073 822509625 /nfs/dbraw/zinc/50/96/25/822509625.db2.gz RLGDDUDDTSTBHD-QGZVFWFLSA-N 1 1 387.487 4.314 20 0 GIADMO C[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179604877 822511330 /nfs/dbraw/zinc/51/13/30/822511330.db2.gz VALGWYSEQYJESH-YOFSQIOKSA-N 1 1 396.535 4.439 20 0 GIADMO C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179604877 822511331 /nfs/dbraw/zinc/51/13/31/822511331.db2.gz VALGWYSEQYJESH-YOFSQIOKSA-N 1 1 396.535 4.439 20 0 GIADMO C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179604877 822511334 /nfs/dbraw/zinc/51/13/34/822511334.db2.gz VALGWYSEQYJESH-YOFSQIOKSA-N 1 1 396.535 4.439 20 0 GIADMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc2sc3ccccc3c2s1 ZINC000179605667 822511413 /nfs/dbraw/zinc/51/14/13/822511413.db2.gz IACURIFHGHNEPK-AWEZNQCLSA-N 1 1 388.558 4.083 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(COC)cc1 ZINC000179610551 822512442 /nfs/dbraw/zinc/51/24/42/822512442.db2.gz YJGBCEGWZLRQQL-UHFFFAOYSA-N 1 1 380.410 4.101 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000183694109 822512738 /nfs/dbraw/zinc/51/27/38/822512738.db2.gz WROQEHGRCDNQHM-GFCCVEGCSA-N 1 1 399.821 4.344 20 0 GIADMO CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H](C)c1cccc(OC)c1 ZINC000046751064 822512903 /nfs/dbraw/zinc/51/29/03/822512903.db2.gz GPLUHKCYUHHXKG-RBUKOAKNSA-N 1 1 375.557 4.442 20 0 GIADMO CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@H](C)c1cccc(OC)c1 ZINC000046752280 822513066 /nfs/dbraw/zinc/51/30/66/822513066.db2.gz SSNKQJILCGFQCI-RBUKOAKNSA-N 1 1 375.557 4.300 20 0 GIADMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)CC3 ZINC000046751919 822513096 /nfs/dbraw/zinc/51/30/96/822513096.db2.gz WAUYENRDAVWMGS-GOSISDBHSA-N 1 1 382.552 4.056 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000179631479 822516238 /nfs/dbraw/zinc/51/62/38/822516238.db2.gz NHCQWIUDZFQBIM-KRWDZBQOSA-N 1 1 379.504 4.094 20 0 GIADMO CCC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)C[C@H]1COc2ccccc2O1 ZINC000046781512 822516848 /nfs/dbraw/zinc/51/68/48/822516848.db2.gz WKIOIOVEPIIJLM-SFHVURJKSA-N 1 1 379.460 4.097 20 0 GIADMO CCC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)C[C@H]1COc2ccccc2O1 ZINC000046781512 822516851 /nfs/dbraw/zinc/51/68/51/822516851.db2.gz WKIOIOVEPIIJLM-SFHVURJKSA-N 1 1 379.460 4.097 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000179637897 822517652 /nfs/dbraw/zinc/51/76/52/822517652.db2.gz JZFAMUPHBUCYEX-GOSISDBHSA-N 1 1 393.531 4.484 20 0 GIADMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2csc(-c3ccccn3)n2)CC1 ZINC000179641463 822518201 /nfs/dbraw/zinc/51/82/01/822518201.db2.gz BZVVDQQDOBOZNW-INIZCTEOSA-N 1 1 382.508 4.223 20 0 GIADMO Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000454698047 822519146 /nfs/dbraw/zinc/51/91/46/822519146.db2.gz KOPASPQSNTXIPE-UTKZUKDTSA-N 1 1 399.922 4.395 20 0 GIADMO COc1ccc(CCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1F ZINC000046809858 822519745 /nfs/dbraw/zinc/51/97/45/822519745.db2.gz AOMGQPCANDGVEN-GOSISDBHSA-N 1 1 398.522 4.458 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1Cl ZINC000183751442 822522253 /nfs/dbraw/zinc/52/22/53/822522253.db2.gz ICCHOGDIJPVCMV-MLGOLLRUSA-N 1 1 379.287 4.284 20 0 GIADMO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000179664277 822522835 /nfs/dbraw/zinc/52/28/35/822522835.db2.gz UAUCAMXYFSRRKZ-SFHVURJKSA-N 1 1 385.895 4.234 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000179674254 822524456 /nfs/dbraw/zinc/52/44/56/822524456.db2.gz CRZLATCSFBLTRI-PWSUYJOCSA-N 1 1 393.247 4.023 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(F)cc3C)CC[N@H+]2C2CC2)c1 ZINC000183767780 822525501 /nfs/dbraw/zinc/52/55/01/822525501.db2.gz LINJMFAOGZWHBG-LEWJYISDSA-N 1 1 383.467 4.242 20 0 GIADMO Cc1cc2cc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H](C)C3)ccc2[nH]1 ZINC000454737321 822525570 /nfs/dbraw/zinc/52/55/70/822525570.db2.gz TULDSTWUGUBATM-QGZVFWFLSA-N 1 1 376.504 4.462 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2Cc3ccccc3O2)c1 ZINC000046875766 822525807 /nfs/dbraw/zinc/52/58/07/822525807.db2.gz NFTIICJLHQIKSF-HXUWFJFHSA-N 1 1 390.487 4.180 20 0 GIADMO Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nnc4ccccn42)CCC3)cc1 ZINC000183783168 822527876 /nfs/dbraw/zinc/52/78/76/822527876.db2.gz KKOOOBPMERMTEG-OAHLLOKOSA-N 1 1 379.464 4.159 20 0 GIADMO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2Cl)c1 ZINC000183787860 822528241 /nfs/dbraw/zinc/52/82/41/822528241.db2.gz MTCDELUMLGHQSS-STQMWFEESA-N 1 1 394.874 4.024 20 0 GIADMO CCCn1ncc(NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1C1CC1 ZINC000454761995 822529608 /nfs/dbraw/zinc/52/96/08/822529608.db2.gz CGODFTCFNXDRDO-INIZCTEOSA-N 1 1 397.523 4.208 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)[C@@H](CC)c2ccncc2)cc1 ZINC000179700370 822530379 /nfs/dbraw/zinc/53/03/79/822530379.db2.gz NKIYUTPHSCFQNC-FCHUYYIVSA-N 1 1 381.520 4.227 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H](CC)c2ccncc2)cc1 ZINC000179700370 822530382 /nfs/dbraw/zinc/53/03/82/822530382.db2.gz NKIYUTPHSCFQNC-FCHUYYIVSA-N 1 1 381.520 4.227 20 0 GIADMO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000183817959 822531325 /nfs/dbraw/zinc/53/13/25/822531325.db2.gz ISKYRVJFZYXZAN-UHFFFAOYSA-N 1 1 381.705 4.170 20 0 GIADMO CC1([C@H]2CCC[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)OCCO1 ZINC000183820157 822531860 /nfs/dbraw/zinc/53/18/60/822531860.db2.gz YUGSHMLTBXRABC-HNNXBMFYSA-N 1 1 378.925 4.439 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(N4CCCC4=O)c3)cc2)C1 ZINC000046934334 822532548 /nfs/dbraw/zinc/53/25/48/822532548.db2.gz YFYSORXRKBYKAP-GOSISDBHSA-N 1 1 391.515 4.298 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2cn3cccnc3n2)ccc1OCc1ccccc1 ZINC000179710621 822532685 /nfs/dbraw/zinc/53/26/85/822532685.db2.gz YCAFNIVNBIGWDC-QGZVFWFLSA-N 1 1 388.471 4.168 20 0 GIADMO COc1ccc(SCCC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000046935676 822532882 /nfs/dbraw/zinc/53/28/82/822532882.db2.gz SPXYGEFBXWAIMR-UHFFFAOYSA-N 1 1 386.561 4.334 20 0 GIADMO COc1cccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1OC(F)F ZINC000046935646 822532904 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IKAZVTVCJYHAPH-RYUDHWBXSA-N 1 1 387.427 4.104 20 0 GIADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000183947803 822551997 /nfs/dbraw/zinc/55/19/97/822551997.db2.gz IKAZVTVCJYHAPH-RYUDHWBXSA-N 1 1 387.427 4.104 20 0 GIADMO c1c2c(sc1-c1nnc(CN3CCC[N@H+](C4CCCC4)CC3)o1)CCCC2 ZINC000183949684 822552469 /nfs/dbraw/zinc/55/24/69/822552469.db2.gz HYNIZDZXECISQH-UHFFFAOYSA-N 1 1 386.565 4.127 20 0 GIADMO C[C@@H](C[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1)c1nccs1 ZINC000183985359 822558243 /nfs/dbraw/zinc/55/82/43/822558243.db2.gz PTLWVAFOHNQUHC-VIFPVBQESA-N 1 1 399.339 4.253 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1)c1nccs1 ZINC000183985359 822558246 /nfs/dbraw/zinc/55/82/46/822558246.db2.gz PTLWVAFOHNQUHC-VIFPVBQESA-N 1 1 399.339 4.253 20 0 GIADMO CNC(=O)C1CC[NH+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000179825084 822560580 /nfs/dbraw/zinc/56/05/80/822560580.db2.gz XQQCFGZKBMMFJL-UHFFFAOYSA-N 1 1 384.332 4.075 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cn1 ZINC000047275848 822560945 /nfs/dbraw/zinc/56/09/45/822560945.db2.gz HZHWCQJUVRZICI-UHFFFAOYSA-N 1 1 392.390 4.139 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cn1 ZINC000047275560 822561031 /nfs/dbraw/zinc/56/10/31/822561031.db2.gz IYJNROWYBNHCCM-UHFFFAOYSA-N 1 1 379.807 4.136 20 0 GIADMO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000454947678 822561799 /nfs/dbraw/zinc/56/17/99/822561799.db2.gz NSXYODPEXLHLIN-WMZHIEFXSA-N 1 1 384.568 4.323 20 0 GIADMO Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc12 ZINC000047283522 822561961 /nfs/dbraw/zinc/56/19/61/822561961.db2.gz FBWHNZVWLFUISY-HNNXBMFYSA-N 1 1 391.519 4.069 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)C1 ZINC000047283415 822561992 /nfs/dbraw/zinc/56/19/92/822561992.db2.gz ZZFVEPBZYQSTMJ-HNNXBMFYSA-N 1 1 395.528 4.215 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)cs1 ZINC000047287072 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CC[N@H+]1CC[C@@H](NC(=O)CCc2ccc(O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184108395 822579333 /nfs/dbraw/zinc/57/93/33/822579333.db2.gz ZNZMQQNBLZRLKN-CTNGQTDRSA-N 1 1 390.886 4.069 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179950939 822584410 /nfs/dbraw/zinc/58/44/10/822584410.db2.gz HRIZZGDFFADURY-GUYCJALGSA-N 1 1 376.497 4.082 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179950967 822584448 /nfs/dbraw/zinc/58/44/48/822584448.db2.gz HRIZZGDFFADURY-DYVFJYSZSA-N 1 1 376.497 4.082 20 0 GIADMO Cn1cc([C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)c2cccc(F)c2)cn1 ZINC000179961052 822586032 /nfs/dbraw/zinc/58/60/32/822586032.db2.gz NXRHUXKCWDLPTQ-PZJWPPBQSA-N 1 1 384.524 4.137 20 0 GIADMO COc1cc(OC)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1OC ZINC000047522153 822586687 /nfs/dbraw/zinc/58/66/87/822586687.db2.gz ATUGWRHXVAYTGG-INIZCTEOSA-N 1 1 398.503 4.339 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000047522214 822586697 /nfs/dbraw/zinc/58/66/97/822586697.db2.gz AXVSKDWNHJNGII-OAHLLOKOSA-N 1 1 395.528 4.358 20 0 GIADMO COc1cc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)ccc1OC(C)C ZINC000184159176 822587987 /nfs/dbraw/zinc/58/79/87/822587987.db2.gz ZEUGHNFNFRZIJN-UHFFFAOYSA-N 1 1 383.492 4.041 20 0 GIADMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000047540360 822588522 /nfs/dbraw/zinc/58/85/22/822588522.db2.gz FDSZVYPVQHXBRZ-UHFFFAOYSA-N 1 1 391.899 4.484 20 0 GIADMO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000047544221 822589094 /nfs/dbraw/zinc/58/90/94/822589094.db2.gz SVNIGETZWLAPNS-LAUBAEHRSA-N 1 1 397.519 4.047 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000047544391 822589113 /nfs/dbraw/zinc/58/91/13/822589113.db2.gz XKACTROMXTXFSZ-KRWDZBQOSA-N 1 1 380.488 4.013 20 0 GIADMO CN1CC[N@@H+](C)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000179979103 822589445 /nfs/dbraw/zinc/58/94/45/822589445.db2.gz DGHHLVNDJRKKPW-UHFFFAOYSA-N 1 1 378.398 4.231 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000179987397 822591374 /nfs/dbraw/zinc/59/13/74/822591374.db2.gz ORVBIUKJJOPJHF-GFCCVEGCSA-N 1 1 383.398 4.355 20 0 GIADMO CCOc1cc(F)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000047583113 822593487 /nfs/dbraw/zinc/59/34/87/822593487.db2.gz YXISCACIXMLBBN-UHFFFAOYSA-N 1 1 389.446 4.103 20 0 GIADMO CCOc1cc(F)ccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000047583113 822593489 /nfs/dbraw/zinc/59/34/89/822593489.db2.gz YXISCACIXMLBBN-UHFFFAOYSA-N 1 1 389.446 4.103 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)ccc1OCC(C)C ZINC000047609272 822596474 /nfs/dbraw/zinc/59/64/74/822596474.db2.gz JCVVECZPYJHWOF-HXOBKFHXSA-N 1 1 396.531 4.401 20 0 GIADMO Cc1cc(Br)c(NC(=O)NCCCC[N@H+](C)C2CC2)cc1Cl ZINC000455153752 822598106 /nfs/dbraw/zinc/59/81/06/822598106.db2.gz VTVZOLLFAKMXRK-UHFFFAOYSA-N 1 1 388.737 4.407 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(OC)c(OC(C)C)c2)c1 ZINC000184219816 822598152 /nfs/dbraw/zinc/59/81/52/822598152.db2.gz VPEVKQGJEVXBML-UHFFFAOYSA-N 1 1 385.508 4.256 20 0 GIADMO C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180024613 822599102 /nfs/dbraw/zinc/59/91/02/822599102.db2.gz HQFFHVCXPDSHHK-HNNXBMFYSA-N 1 1 383.927 4.463 20 0 GIADMO Clc1cccc(N2CCCC2)c1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000180030983 822601060 /nfs/dbraw/zinc/60/10/60/822601060.db2.gz BDCZPMHVXUVNJS-UHFFFAOYSA-N 1 1 390.984 4.105 20 0 GIADMO Clc1cccc(N2CCCC2)c1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000180030983 822601062 /nfs/dbraw/zinc/60/10/62/822601062.db2.gz BDCZPMHVXUVNJS-UHFFFAOYSA-N 1 1 390.984 4.105 20 0 GIADMO O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000047714194 822602604 /nfs/dbraw/zinc/60/26/04/822602604.db2.gz SBFHRNFHMMYVLC-UHFFFAOYSA-N 1 1 393.409 4.167 20 0 GIADMO O=C(Cc1c(F)cccc1Cl)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715334 822603040 /nfs/dbraw/zinc/60/30/40/822603040.db2.gz BNUBHTKECVSLMS-UHFFFAOYSA-N 1 1 396.840 4.081 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c2ccccc2)cc1 ZINC000180059503 822606320 /nfs/dbraw/zinc/60/63/20/822606320.db2.gz BGHPFOXMHLBDAY-HSZRJFAPSA-N 1 1 394.540 4.125 20 0 GIADMO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797994 822609974 /nfs/dbraw/zinc/60/99/74/822609974.db2.gz NECSDOSTKQLSSZ-HNNXBMFYSA-N 1 1 392.490 4.039 20 0 GIADMO O=C(CC1(O)CCCCC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184323966 822615268 /nfs/dbraw/zinc/61/52/68/822615268.db2.gz DFMBDAVBXXMNIF-UHFFFAOYSA-N 1 1 399.362 4.159 20 0 GIADMO CCc1ccc(C(C)(C)[NH2+]Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000180103225 822615650 /nfs/dbraw/zinc/61/56/50/822615650.db2.gz CYOYYDUOYQQXOJ-UHFFFAOYSA-N 1 1 381.476 4.341 20 0 GIADMO O=C(CCc1ccc2[nH]ccc2c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000180104425 822615794 /nfs/dbraw/zinc/61/57/94/822615794.db2.gz SPLQFEYAPKWDNS-UHFFFAOYSA-N 1 1 379.529 4.288 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000047906127 822618281 /nfs/dbraw/zinc/61/82/81/822618281.db2.gz KCFAYQRFIDQYLL-UHFFFAOYSA-N 1 1 389.446 4.336 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)s1)[NH+](C)C ZINC000047914177 822619135 /nfs/dbraw/zinc/61/91/35/822619135.db2.gz MAZRULREKOJECW-TZMCWYRMSA-N 1 1 381.929 4.073 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000047924751 822620097 /nfs/dbraw/zinc/62/00/97/822620097.db2.gz QTYWSKMVBUPQAQ-HNNXBMFYSA-N 1 1 375.463 4.365 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)Cc3c(C)cc(C)cc3C)CC2)cs1 ZINC000180127105 822621052 /nfs/dbraw/zinc/62/10/52/822621052.db2.gz OJXNGXWIYZVNCY-UHFFFAOYSA-N 1 1 399.604 4.202 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000047944947 822621358 /nfs/dbraw/zinc/62/13/58/822621358.db2.gz GOXKJFFAQJPMFL-INIZCTEOSA-N 1 1 376.501 4.031 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc(C)c1Br ZINC000455269366 822622374 /nfs/dbraw/zinc/62/23/74/822622374.db2.gz MUQGVPXNUVNZQM-GOSISDBHSA-N 1 1 380.330 4.016 20 0 GIADMO Cc1c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cccc1N(C)C ZINC000180132350 822622402 /nfs/dbraw/zinc/62/24/02/822622402.db2.gz FALZIVRUSXPZBQ-SEJPIABJSA-N 1 1 392.547 4.378 20 0 GIADMO Brc1ccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC000047991063 822624334 /nfs/dbraw/zinc/62/43/34/822624334.db2.gz CJDXTQPPDDPWNH-UHFFFAOYSA-N 1 1 399.082 4.230 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180139914 822624497 /nfs/dbraw/zinc/62/44/97/822624497.db2.gz UYVWWZUTDYTBLA-GFCCVEGCSA-N 1 1 375.847 4.041 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Br)cc2Cl)[C@@H]1c1ccccc1 ZINC000180142592 822625321 /nfs/dbraw/zinc/62/53/21/822625321.db2.gz TURIZQLIBFPQMO-SJORKVTESA-N 1 1 393.712 4.278 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180158555 822629236 /nfs/dbraw/zinc/62/92/36/822629236.db2.gz HCOKEMIQPJFVMW-AZUAARDMSA-N 1 1 394.906 4.009 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000184412141 822630181 /nfs/dbraw/zinc/63/01/81/822630181.db2.gz BHVZPGILXCETJM-UNMCSNQZSA-N 1 1 394.563 4.073 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1nc(C)cs1 ZINC000184413536 822630553 /nfs/dbraw/zinc/63/05/53/822630553.db2.gz GLYPPNJKMPAAME-OAHLLOKOSA-N 1 1 386.348 4.458 20 0 GIADMO C[C@@H](c1cnccn1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000184427061 822633015 /nfs/dbraw/zinc/63/30/15/822633015.db2.gz SNNLPJZHOJRUCG-INIZCTEOSA-N 1 1 382.508 4.223 20 0 GIADMO CCN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H](C)c1cccnc1 ZINC000455323319 822634181 /nfs/dbraw/zinc/63/41/81/822634181.db2.gz CVUWOECLZOVVPV-IBGZPJMESA-N 1 1 380.536 4.229 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2cc(F)cc(Br)c2)c2cccc(F)c2)cn1 ZINC000180184758 822634580 /nfs/dbraw/zinc/63/45/80/822634580.db2.gz DKUQXIIXWYJJES-GOSISDBHSA-N 1 1 392.247 4.340 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000184446180 822636561 /nfs/dbraw/zinc/63/65/61/822636561.db2.gz UQNYFFNMZPAQFN-OAQYLSRUSA-N 1 1 382.504 4.214 20 0 GIADMO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3cc(F)ccc3C)CC2)cs1 ZINC000180214286 822640879 /nfs/dbraw/zinc/64/08/79/822640879.db2.gz NVKYQYUUJGHBCB-INIZCTEOSA-N 1 1 377.529 4.006 20 0 GIADMO O=C1C[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)CN1c1c(F)cccc1F ZINC000180218484 822641407 /nfs/dbraw/zinc/64/14/07/822641407.db2.gz ZQTDGQZKTAUDGD-GFCCVEGCSA-N 1 1 391.468 4.045 20 0 GIADMO CCCn1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccc(OC)c2)cn1 ZINC000180219702 822641601 /nfs/dbraw/zinc/64/16/01/822641601.db2.gz VHIQXWDHZSTNLR-QHCPKHFHSA-N 1 1 379.504 4.038 20 0 GIADMO CCCn1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OC)c2)cn1 ZINC000180219726 822641669 /nfs/dbraw/zinc/64/16/69/822641669.db2.gz VHIQXWDHZSTNLR-HSZRJFAPSA-N 1 1 379.504 4.038 20 0 GIADMO Cc1nccn1-c1ccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1F ZINC000180232477 822644878 /nfs/dbraw/zinc/64/48/78/822644878.db2.gz RRXPPOMGCUIJMH-QFIPXVFZSA-N 1 1 393.441 4.072 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CN[C@H](c2cnn(C)c2)c2cccc(F)c2)cc1F ZINC000180232477 822644880 /nfs/dbraw/zinc/64/48/80/822644880.db2.gz RRXPPOMGCUIJMH-QFIPXVFZSA-N 1 1 393.441 4.072 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c(OC)c1 ZINC000184516100 822649103 /nfs/dbraw/zinc/64/91/03/822649103.db2.gz LIBPKYZVZSQLBW-AWEZNQCLSA-N 1 1 397.500 4.117 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180259069 822649796 /nfs/dbraw/zinc/64/97/96/822649796.db2.gz IMLJZXOSQIQYNQ-IEBWSBKVSA-N 1 1 398.551 4.212 20 0 GIADMO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1nc(-c2ccccc2)cs1 ZINC000184525774 822651066 /nfs/dbraw/zinc/65/10/66/822651066.db2.gz PLOQNWPGXSSIKT-LBPRGKRZSA-N 1 1 391.949 4.492 20 0 GIADMO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184536150 822653001 /nfs/dbraw/zinc/65/30/01/822653001.db2.gz USNVGHFPZHBWCG-INIZCTEOSA-N 1 1 395.528 4.128 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCSCc3ccccn3)cc2)C1 ZINC000048323150 822653676 /nfs/dbraw/zinc/65/36/76/822653676.db2.gz UHKHEAAUCOJERF-IBGZPJMESA-N 1 1 397.588 4.253 20 0 GIADMO CCCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180284857 822655268 /nfs/dbraw/zinc/65/52/68/822655268.db2.gz CURGLMFTQFTEGL-DXPJPUQTSA-N 1 1 375.534 4.414 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000180291157 822656986 /nfs/dbraw/zinc/65/69/86/822656986.db2.gz NGCZBZUYNMZELG-SFHVURJKSA-N 1 1 382.508 4.017 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000180291157 822656989 /nfs/dbraw/zinc/65/69/89/822656989.db2.gz NGCZBZUYNMZELG-SFHVURJKSA-N 1 1 382.508 4.017 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000180291157 822656991 /nfs/dbraw/zinc/65/69/91/822656991.db2.gz NGCZBZUYNMZELG-SFHVURJKSA-N 1 1 382.508 4.017 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000048371294 822657083 /nfs/dbraw/zinc/65/70/83/822657083.db2.gz JAKMAWKHSIBHAM-GOSISDBHSA-N 1 1 394.519 4.243 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000048397380 822659327 /nfs/dbraw/zinc/65/93/27/822659327.db2.gz QVMDYPZCLRXNFI-QGZVFWFLSA-N 1 1 397.494 4.072 20 0 GIADMO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-c2ccc(F)cc2)cc1 ZINC000455479130 822662353 /nfs/dbraw/zinc/66/23/53/822662353.db2.gz RQYSIIRVMJJKBX-AJNJGYFJSA-N 1 1 381.495 4.478 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(F)c(Br)c2)c2ccc(F)cc2)cn1 ZINC000184600634 822664004 /nfs/dbraw/zinc/66/40/04/822664004.db2.gz KYKWMOVXVPNZAY-GOSISDBHSA-N 1 1 392.247 4.340 20 0 GIADMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)C[C@H]1CC ZINC000455499461 822666612 /nfs/dbraw/zinc/66/66/12/822666612.db2.gz DPAKKJKLYTZLIX-OAQYLSRUSA-N 1 1 396.535 4.022 20 0 GIADMO CC(C)([NH2+]CCC(=O)Nc1cccc(F)c1)c1nc(C(F)(F)F)cs1 ZINC000411528340 823584978 /nfs/dbraw/zinc/58/49/78/823584978.db2.gz ABICUADKHOEVBL-UHFFFAOYSA-N 1 1 375.391 4.155 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(OCC#N)c3)cc2)C1 ZINC000048509213 822668793 /nfs/dbraw/zinc/66/87/93/822668793.db2.gz PRFTVKOJQQDAJF-GOSISDBHSA-N 1 1 392.503 4.143 20 0 GIADMO COc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(C(F)(F)F)c1 ZINC000048549219 822671326 /nfs/dbraw/zinc/67/13/26/822671326.db2.gz PRTFZSLRBFLFGV-CQSZACIVSA-N 1 1 387.446 4.490 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(F)cc(F)c1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455554338 822674107 /nfs/dbraw/zinc/67/41/07/822674107.db2.gz PRIGCPUNRUOBAG-HIFRSBDPSA-N 1 1 377.410 4.136 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(F)cc(F)c2F)[C@H]1c1cccs1 ZINC000455567794 822675900 /nfs/dbraw/zinc/67/59/00/822675900.db2.gz PIFXCPDEZOWSNU-GTNSWQLSSA-N 1 1 383.439 4.370 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(F)cc(F)c1F ZINC000455568114 822675934 /nfs/dbraw/zinc/67/59/34/822675934.db2.gz QBKBHTSUWQTSBG-SUMWQHHRSA-N 1 1 377.410 4.136 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](c2ccccc2)C(F)F)[C@H]1c1cccs1 ZINC000455587666 822679512 /nfs/dbraw/zinc/67/95/12/822679512.db2.gz GLNUETYSUDAYHL-NJAFHUGGSA-N 1 1 393.503 4.437 20 0 GIADMO O=C(NCCC1CC(F)(F)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455591555 822680110 /nfs/dbraw/zinc/68/01/10/822680110.db2.gz BVGFCZCXPIHNJE-WOJBJXKFSA-N 1 1 391.506 4.118 20 0 GIADMO Cc1c[nH+]c(NCc2ccc([C@@H](C)O)cc2)nc1NCc1ccc([C@H](C)O)cc1 ZINC000180430000 822680312 /nfs/dbraw/zinc/68/03/12/822680312.db2.gz FQLXSQFJLJEBRX-DLBZAZTESA-N 1 1 392.503 4.116 20 0 GIADMO C[C@H]1C[C@@H](CCNC(=O)NCCC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000455593283 822680487 /nfs/dbraw/zinc/68/04/87/822680487.db2.gz HCZDJULLVAHPIR-FUHWJXTLSA-N 1 1 379.495 4.022 20 0 GIADMO CCc1nc([C@@H](C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cs1 ZINC000184715155 822681136 /nfs/dbraw/zinc/68/11/36/822681136.db2.gz YDBUKWSEUZRCGF-MNOVXSKESA-N 1 1 375.321 4.103 20 0 GIADMO Clc1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc2c1OCCO2 ZINC000048776540 822682245 /nfs/dbraw/zinc/68/22/45/822682245.db2.gz UQKPIULSALFDAG-UHFFFAOYSA-N 1 1 395.890 4.075 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000455601828 822682391 /nfs/dbraw/zinc/68/23/91/822682391.db2.gz RDEOVBQPABHXQR-PCCBWWKXSA-N 1 1 383.923 4.009 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cccnc1 ZINC000455601828 822682393 /nfs/dbraw/zinc/68/23/93/822682393.db2.gz RDEOVBQPABHXQR-PCCBWWKXSA-N 1 1 383.923 4.009 20 0 GIADMO O=C(Nc1cccc(C2CC2)n1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000455615534 822684718 /nfs/dbraw/zinc/68/47/18/822684718.db2.gz CWLZVZMNDCBVNM-UHFFFAOYSA-N 1 1 378.520 4.131 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC[C@H]1c1cccc(Br)c1)C1CC1 ZINC000455622681 822685670 /nfs/dbraw/zinc/68/56/70/822685670.db2.gz VAVRZMJPHNJPNJ-SFHVURJKSA-N 1 1 394.357 4.170 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl)C1CC1 ZINC000455622658 822685705 /nfs/dbraw/zinc/68/57/05/822685705.db2.gz UZHUPDHTWCAZKS-INIZCTEOSA-N 1 1 381.923 4.070 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CSCc2cccnc2)C1 ZINC000048886606 822688029 /nfs/dbraw/zinc/68/80/29/822688029.db2.gz PCWREWQBEXICCH-KDURUIRLSA-N 1 1 397.588 4.109 20 0 GIADMO CSCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000184775893 822689359 /nfs/dbraw/zinc/68/93/59/822689359.db2.gz IXBBGWHHIJQWJG-LJQANCHMSA-N 1 1 383.561 4.236 20 0 GIADMO Cc1cc(NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)cn2cc[nH+]c12 ZINC000455645409 822690091 /nfs/dbraw/zinc/69/00/91/822690091.db2.gz QXRBPKCHSGIRNX-UHFFFAOYSA-N 1 1 383.399 4.175 20 0 GIADMO Cc1cc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)cn2cc[nH+]c12 ZINC000455658197 822693251 /nfs/dbraw/zinc/69/32/51/822693251.db2.gz LXGDIDKHSUDLGO-UHFFFAOYSA-N 1 1 392.381 4.043 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2cccnc2Cl)cc(Br)c1OC ZINC000180507277 822693339 /nfs/dbraw/zinc/69/33/39/822693339.db2.gz AGRGBYQZLGEESV-SNVBAGLBSA-N 1 1 385.689 4.366 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000180509450 822693795 /nfs/dbraw/zinc/69/37/95/822693795.db2.gz LDERLUOPJFPYCW-WMZOPIPTSA-N 1 1 380.492 4.129 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000180509450 822693796 /nfs/dbraw/zinc/69/37/96/822693796.db2.gz LDERLUOPJFPYCW-WMZOPIPTSA-N 1 1 380.492 4.129 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000180513526 822694437 /nfs/dbraw/zinc/69/44/37/822694437.db2.gz AMSJJNKTYQUNKK-KSSFIOAISA-N 1 1 384.549 4.081 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000180513526 822694438 /nfs/dbraw/zinc/69/44/38/822694438.db2.gz AMSJJNKTYQUNKK-KSSFIOAISA-N 1 1 384.549 4.081 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000180521771 822695560 /nfs/dbraw/zinc/69/55/60/822695560.db2.gz LDFYISUMWWJNQL-MRXNPFEDSA-N 1 1 382.489 4.216 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000180521771 822695562 /nfs/dbraw/zinc/69/55/62/822695562.db2.gz LDFYISUMWWJNQL-MRXNPFEDSA-N 1 1 382.489 4.216 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000455672366 822696801 /nfs/dbraw/zinc/69/68/01/822696801.db2.gz MJOZVNJDBROFHY-KNQAVFIVSA-N 1 1 393.531 4.319 20 0 GIADMO C[C@@H](CCNC(=O)Nc1ccc([C@H]2CCOC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000455674809 822697702 /nfs/dbraw/zinc/69/77/02/822697702.db2.gz PYKNSYVOHPDENS-RXVVDRJESA-N 1 1 381.520 4.223 20 0 GIADMO Cc1csc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C(F)(F)F)n1 ZINC000455682438 822699903 /nfs/dbraw/zinc/69/99/03/822699903.db2.gz CJMLKJBPKRTHNZ-ZIAGYGMSSA-N 1 1 392.491 4.009 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000180547994 822700039 /nfs/dbraw/zinc/70/00/39/822700039.db2.gz ZZLQGTWEFUQOEE-SJORKVTESA-N 1 1 396.384 4.049 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455691170 822703016 /nfs/dbraw/zinc/70/30/16/822703016.db2.gz HHYXJFOKZXAPAF-NRFANRHFSA-N 1 1 384.911 4.173 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180575679 822705114 /nfs/dbraw/zinc/70/51/14/822705114.db2.gz ISEOSURHSZTORV-KRWDZBQOSA-N 1 1 382.357 4.250 20 0 GIADMO COc1ccc(C[C@@H](C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1OC ZINC000180578502 822705726 /nfs/dbraw/zinc/70/57/26/822705726.db2.gz XYKQZWHKQOWSRT-GOSISDBHSA-N 1 1 398.547 4.039 20 0 GIADMO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccc(Cl)c2cccnc12 ZINC000180593347 822707525 /nfs/dbraw/zinc/70/75/25/822707525.db2.gz YANUXGANMZFMSX-UHFFFAOYSA-N 1 1 383.879 4.239 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc(Cl)c1OC ZINC000180600834 822709087 /nfs/dbraw/zinc/70/90/87/822709087.db2.gz YJTNXEWIBLXTSR-WBVHZDCISA-N 1 1 379.884 4.428 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N(C)Cc1csc2ccccc12)[NH+](C)C ZINC000049789727 822709412 /nfs/dbraw/zinc/70/94/12/822709412.db2.gz GWYSUPCORINFPI-LJQANCHMSA-N 1 1 397.544 4.354 20 0 GIADMO CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000049789713 822709428 /nfs/dbraw/zinc/70/94/28/822709428.db2.gz UQXHOMUQVXAVFY-UTKZUKDTSA-N 1 1 399.535 4.099 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC000049789750 822709560 /nfs/dbraw/zinc/70/95/60/822709560.db2.gz XKPDMRMJTZMUPL-HNAYVOBHSA-N 1 1 389.927 4.354 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccco1 ZINC000049944417 822712058 /nfs/dbraw/zinc/71/20/58/822712058.db2.gz PDESJVVUOYQWHT-LJQANCHMSA-N 1 1 382.435 4.030 20 0 GIADMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc(Cl)c1OCC(C)C ZINC000049944160 822712129 /nfs/dbraw/zinc/71/21/29/822712129.db2.gz HSTFOPUIMDHWJC-INIZCTEOSA-N 1 1 394.899 4.009 20 0 GIADMO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000180615477 822713108 /nfs/dbraw/zinc/71/31/08/822713108.db2.gz OBVAHBGPRQTLCO-UHFFFAOYSA-N 1 1 387.281 4.002 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2OCCF)[C@@H]1c1cccs1 ZINC000455720631 822713254 /nfs/dbraw/zinc/71/32/54/822713254.db2.gz GMPNFDISEYJMFE-HNAYVOBHSA-N 1 1 391.512 4.301 20 0 GIADMO O=C(Nc1ccccc1OCCF)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455729010 822715500 /nfs/dbraw/zinc/71/55/00/822715500.db2.gz BIKQAZRFEMTRGN-QHCPKHFHSA-N 1 1 397.494 4.165 20 0 GIADMO O=C(CSCc1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000050040922 822715826 /nfs/dbraw/zinc/71/58/26/822715826.db2.gz HPZCDLYYMVHDGL-QGZVFWFLSA-N 1 1 378.925 4.120 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1 ZINC000050057872 822716476 /nfs/dbraw/zinc/71/64/76/822716476.db2.gz DHNBTXUWCIUTQC-KRWDZBQOSA-N 1 1 387.549 4.489 20 0 GIADMO Cc1cc(Cl)c(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000455733415 822716542 /nfs/dbraw/zinc/71/65/42/822716542.db2.gz OAMQFVVMVRVHMQ-CALCHBBNSA-N 1 1 393.959 4.310 20 0 GIADMO Cc1sc([C@@H](C)[NH2+]CC(=O)N(C)CC2CC2)nc1-c1ccc(Cl)cc1 ZINC000184945734 822716717 /nfs/dbraw/zinc/71/67/17/822716717.db2.gz PTIQAZPAEFELMR-GFCCVEGCSA-N 1 1 377.941 4.291 20 0 GIADMO Cc1sc([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)nc1-c1ccc(Cl)cc1 ZINC000184945016 822716738 /nfs/dbraw/zinc/71/67/38/822716738.db2.gz LVUQGMMQEQNCHV-WBMJQRKESA-N 1 1 377.941 4.432 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C[N@H+]1Cc1ccccc1 ZINC000455735541 822716981 /nfs/dbraw/zinc/71/69/81/822716981.db2.gz YDABLLGOSWKNDC-GXTWGEPZSA-N 1 1 398.454 4.032 20 0 GIADMO CCCS(=O)(=O)CC[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000184948380 822717124 /nfs/dbraw/zinc/71/71/24/822717124.db2.gz DIXLRRXUNHZBGZ-GFCCVEGCSA-N 1 1 386.970 4.247 20 0 GIADMO O=C(Nc1ccccc1OCCF)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455740874 822717828 /nfs/dbraw/zinc/71/78/28/822717828.db2.gz XDEUCFZKXSKOFE-UXHICEINSA-N 1 1 397.494 4.021 20 0 GIADMO CCCn1ncc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455743353 822718162 /nfs/dbraw/zinc/71/81/62/822718162.db2.gz ABCBZXINYZHSKV-QGZVFWFLSA-N 1 1 383.540 4.203 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cn2nc(-c3ccccc3)n(C)c2=S)CC1 ZINC000184956466 822718205 /nfs/dbraw/zinc/71/82/05/822718205.db2.gz VZFWJDKISROWAX-INIZCTEOSA-N 1 1 399.589 4.016 20 0 GIADMO CCSc1nn(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(=S)s1 ZINC000184956551 822718210 /nfs/dbraw/zinc/71/82/10/822718210.db2.gz OYIICFPZZFFYHK-LBPRGKRZSA-N 1 1 386.637 4.184 20 0 GIADMO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184961873 822718886 /nfs/dbraw/zinc/71/88/86/822718886.db2.gz IJAFISRSOXQBMK-VXGBXAGGSA-N 1 1 396.354 4.138 20 0 GIADMO CCCCNC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184961642 822718979 /nfs/dbraw/zinc/71/89/79/822718979.db2.gz RHDSQIINDJFXSK-GFCCVEGCSA-N 1 1 396.354 4.140 20 0 GIADMO CCCCn1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000184976040 822720562 /nfs/dbraw/zinc/72/05/62/822720562.db2.gz BFSYZWYVYGCFHE-GMAHTHKFSA-N 1 1 394.563 4.118 20 0 GIADMO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]3c3cccc(Br)c3)on2)cn1 ZINC000184985296 822721732 /nfs/dbraw/zinc/72/17/32/822721732.db2.gz IRYHTULYJFXNNV-GOSISDBHSA-N 1 1 387.281 4.175 20 0 GIADMO Cn1cc(-c2cc(C[N@H+]3CCC[C@@H]3c3cccc(Br)c3)on2)cn1 ZINC000184985296 822721735 /nfs/dbraw/zinc/72/17/35/822721735.db2.gz IRYHTULYJFXNNV-GOSISDBHSA-N 1 1 387.281 4.175 20 0 GIADMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000050275366 822723444 /nfs/dbraw/zinc/72/34/44/822723444.db2.gz GJYHWMSMMCDXIG-LAUBAEHRSA-N 1 1 382.504 4.060 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3c(C)cccc3SC)CC2)cc1 ZINC000185001987 822723961 /nfs/dbraw/zinc/72/39/61/822723961.db2.gz OXSKIUDCBYNOJP-UHFFFAOYSA-N 1 1 399.560 4.465 20 0 GIADMO CC(=O)N1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CC[N@@H+](C)C4 ZINC000185003285 822724171 /nfs/dbraw/zinc/72/41/71/822724171.db2.gz ICDMIZYUOJXBGW-UHFFFAOYSA-N 1 1 391.540 4.164 20 0 GIADMO CC(=O)N1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CC[N@H+](C)C4 ZINC000185003285 822724172 /nfs/dbraw/zinc/72/41/72/822724172.db2.gz ICDMIZYUOJXBGW-UHFFFAOYSA-N 1 1 391.540 4.164 20 0 GIADMO CCOc1ccc(Cl)c(NC(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000455777723 822724834 /nfs/dbraw/zinc/72/48/34/822724834.db2.gz QDMACBGEXXOZQE-AWEZNQCLSA-N 1 1 376.888 4.367 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)nc1C1CC1 ZINC000455792990 822727547 /nfs/dbraw/zinc/72/75/47/822727547.db2.gz DJSGXADFABLFLG-FQEVSTJZSA-N 1 1 377.532 4.252 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1nccs1 ZINC000185039853 822728024 /nfs/dbraw/zinc/72/80/24/822728024.db2.gz CIVMCWBOOQLFDC-IBGZPJMESA-N 1 1 379.529 4.432 20 0 GIADMO CC(C)C(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000455795470 822728078 /nfs/dbraw/zinc/72/80/78/822728078.db2.gz MHSJXKNUYOLUBI-LJQANCHMSA-N 1 1 379.504 4.169 20 0 GIADMO Cn1cc(-c2cc(C[NH2+][C@@H](COc3ccccc3F)c3ccccc3)on2)cn1 ZINC000185051562 822729602 /nfs/dbraw/zinc/72/96/02/822729602.db2.gz IEQKJIASGIIPBV-NRFANRHFSA-N 1 1 392.434 4.124 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C(=O)Nc4ccccc4)CC3)o2)cc1 ZINC000050509773 822732219 /nfs/dbraw/zinc/73/22/19/822732219.db2.gz FNZLAEHZUGGHOC-QGZVFWFLSA-N 1 1 390.487 4.457 20 0 GIADMO CCCn1ncc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000455826488 822732717 /nfs/dbraw/zinc/73/27/17/822732717.db2.gz JAKFJXPTYIYCAW-UHFFFAOYSA-N 1 1 395.551 4.129 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000050629079 822735190 /nfs/dbraw/zinc/73/51/90/822735190.db2.gz XHZMORJRMHWUNU-UHFFFAOYSA-N 1 1 377.941 4.410 20 0 GIADMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000050783587 822738785 /nfs/dbraw/zinc/73/87/85/822738785.db2.gz WCTAPADVVTUSEE-QPPBQGQZSA-N 1 1 390.458 4.145 20 0 GIADMO C[C@@](O)(C[NH2+]Cc1csc(COc2ccccc2)n1)c1cccc(Cl)c1 ZINC000185117192 822739182 /nfs/dbraw/zinc/73/91/82/822739182.db2.gz UTSBHGMVSRZKNB-HXUWFJFHSA-N 1 1 388.920 4.373 20 0 GIADMO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)sc1Cc1ccccc1F ZINC000455895335 822743932 /nfs/dbraw/zinc/74/39/32/822743932.db2.gz CIRMNJPBOPXCER-CZUORRHYSA-N 1 1 390.528 4.128 20 0 GIADMO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)sc1Cc1cccc(F)c1 ZINC000455899608 822744729 /nfs/dbraw/zinc/74/47/29/822744729.db2.gz SWKRPVGVWQJYQY-CXAGYDPISA-N 1 1 390.528 4.128 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132632 822747314 /nfs/dbraw/zinc/74/73/14/822747314.db2.gz LPXGIDFRYXOPPL-ZJSXRUAMSA-N 1 1 394.515 4.318 20 0 GIADMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051133234 822747491 /nfs/dbraw/zinc/74/74/91/822747491.db2.gz ZAQXKAVIKNOILO-AUSIDOKSSA-N 1 1 382.504 4.124 20 0 GIADMO Cc1cc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)n(C(C)(C)C)n1 ZINC000051213821 822750682 /nfs/dbraw/zinc/75/06/82/822750682.db2.gz WTRDQVZJLJUDEL-UHFFFAOYSA-N 1 1 376.504 4.264 20 0 GIADMO CC(C)[C@@H]1C[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000185224389 822751405 /nfs/dbraw/zinc/75/14/05/822751405.db2.gz OYTWVGOGZNKHHO-RBUKOAKNSA-N 1 1 382.470 4.420 20 0 GIADMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl ZINC000185234481 822752882 /nfs/dbraw/zinc/75/28/82/822752882.db2.gz QPYLJLDMFQHBSM-MRXNPFEDSA-N 1 1 376.840 4.135 20 0 GIADMO Cc1cc(=O)oc2cc(OCC[NH2+][C@@H](C)c3nc(C4CCCCC4)no3)ccc12 ZINC000185258823 822755731 /nfs/dbraw/zinc/75/57/31/822755731.db2.gz WCZXJJPKFINTEC-HNNXBMFYSA-N 1 1 397.475 4.262 20 0 GIADMO CCOc1cc(C[N@@H+](C)C[C@@H](O)c2cc(F)ccc2F)ccc1OC(F)F ZINC000051323844 822755989 /nfs/dbraw/zinc/75/59/89/822755989.db2.gz CJQZDCJBXNNSGV-MRXNPFEDSA-N 1 1 387.373 4.130 20 0 GIADMO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1Cl ZINC000185275799 822758216 /nfs/dbraw/zinc/75/82/16/822758216.db2.gz AMWOOMUOHHNCGG-GFCCVEGCSA-N 1 1 384.282 4.215 20 0 GIADMO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1Cl ZINC000185276768 822758362 /nfs/dbraw/zinc/75/83/62/822758362.db2.gz QINKTKVZMQWMQV-GFCCVEGCSA-N 1 1 384.282 4.215 20 0 GIADMO CN(C(=O)Nc1cc(Cl)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455971072 822759348 /nfs/dbraw/zinc/75/93/48/822759348.db2.gz NOSKNQWYLPJXPU-YIONKMFJSA-N 1 1 386.721 4.191 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C2CC2)s1 ZINC000185283125 822759386 /nfs/dbraw/zinc/75/93/86/822759386.db2.gz USILITRNAHYHPX-CVEARBPZSA-N 1 1 379.888 4.090 20 0 GIADMO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Br)cc2F)no1 ZINC000051475553 822761644 /nfs/dbraw/zinc/76/16/44/822761644.db2.gz ZPRPTEDRVNNDRC-MRXNPFEDSA-N 1 1 396.260 4.050 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(Br)cc2F)no1 ZINC000051475553 822761649 /nfs/dbraw/zinc/76/16/49/822761649.db2.gz ZPRPTEDRVNNDRC-MRXNPFEDSA-N 1 1 396.260 4.050 20 0 GIADMO COCc1ccc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)cc1 ZINC000174285580 822763147 /nfs/dbraw/zinc/76/31/47/822763147.db2.gz CDHUGLDWHKIGKP-ZDUSSCGKSA-N 1 1 392.293 4.218 20 0 GIADMO Cc1sc2[nH]c(C[N@@H+](C)[C@@H](CO)CC(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000185312144 822763908 /nfs/dbraw/zinc/76/39/08/822763908.db2.gz BYZGPRVOSLBPJK-QGZVFWFLSA-N 1 1 399.560 4.107 20 0 GIADMO Cc1sc2[nH]c(C[N@H+](C)[C@@H](CO)CC(C)C)nc(=O)c2c1-c1ccc(C)cc1 ZINC000185312144 822763911 /nfs/dbraw/zinc/76/39/11/822763911.db2.gz BYZGPRVOSLBPJK-QGZVFWFLSA-N 1 1 399.560 4.107 20 0 GIADMO C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ncc(Br)s1 ZINC000185315327 822764663 /nfs/dbraw/zinc/76/46/63/822764663.db2.gz BQBIMONIFAAFAR-YDHLFZDLSA-N 1 1 380.355 4.077 20 0 GIADMO C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ncc(Br)s1 ZINC000185315327 822764666 /nfs/dbraw/zinc/76/46/66/822764666.db2.gz BQBIMONIFAAFAR-YDHLFZDLSA-N 1 1 380.355 4.077 20 0 GIADMO C[C@@H](c1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1)C(F)(F)F ZINC000456003441 822765252 /nfs/dbraw/zinc/76/52/52/822765252.db2.gz VTEOIXSWVSBTLZ-AWEZNQCLSA-N 1 1 379.426 4.181 20 0 GIADMO C[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1cn(C)c2ccccc12 ZINC000185324597 822765927 /nfs/dbraw/zinc/76/59/27/822765927.db2.gz QPUPQHSPWOZTNT-ROUUACIJSA-N 1 1 391.515 4.314 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456017313 822767060 /nfs/dbraw/zinc/76/70/60/822767060.db2.gz QFXTZPRFYWAQCP-GMAHTHKFSA-N 1 1 389.543 4.394 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000051589658 822767627 /nfs/dbraw/zinc/76/76/27/822767627.db2.gz AAFSVYPJLGXMSU-SFHVURJKSA-N 1 1 394.437 4.235 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000051589658 822767630 /nfs/dbraw/zinc/76/76/30/822767630.db2.gz AAFSVYPJLGXMSU-SFHVURJKSA-N 1 1 394.437 4.235 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](c2ncc(C)s2)C2CC2)cc1 ZINC000185337790 822767931 /nfs/dbraw/zinc/76/79/31/822767931.db2.gz SVCXRPIRKFONCX-CTNGQTDRSA-N 1 1 399.560 4.255 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C2CC2)s1 ZINC000185349888 822769378 /nfs/dbraw/zinc/76/93/78/822769378.db2.gz ZCEAEMHVBNRWRI-VLIAUNLRSA-N 1 1 383.517 4.458 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C2CC2)s1 ZINC000185355005 822770320 /nfs/dbraw/zinc/77/03/20/822770320.db2.gz WJYORLHNAKQSAN-MOPGFXCFSA-N 1 1 375.513 4.145 20 0 GIADMO Cc1ccc(NCCCNC(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)[nH+]c1 ZINC000051686787 822773654 /nfs/dbraw/zinc/77/36/54/822773654.db2.gz KGINMYAVUYGHKR-UNMCSNQZSA-N 1 1 396.535 4.001 20 0 GIADMO COc1ccccc1C[N@@H+](Cc1nc2ccccc2nc1C)C[C@H]1CCCO1 ZINC000051798566 822778846 /nfs/dbraw/zinc/77/88/46/822778846.db2.gz YTEIYYMMRFYJSJ-LJQANCHMSA-N 1 1 377.488 4.128 20 0 GIADMO COc1ccccc1C[N@H+](Cc1nc2ccccc2nc1C)C[C@H]1CCCO1 ZINC000051798566 822778851 /nfs/dbraw/zinc/77/88/51/822778851.db2.gz YTEIYYMMRFYJSJ-LJQANCHMSA-N 1 1 377.488 4.128 20 0 GIADMO CN(Cc1ncc(-c2ccccc2F)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174395949 822783777 /nfs/dbraw/zinc/78/37/77/822783777.db2.gz IGEOATDPLITCAK-IBGZPJMESA-N 1 1 379.479 4.435 20 0 GIADMO CN(Cc1nnc(-c2cccc(Cl)c2)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400452 822784603 /nfs/dbraw/zinc/78/46/03/822784603.db2.gz OCWJMMDLELAMSQ-GOSISDBHSA-N 1 1 396.922 4.344 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1Oc1cccnc1 ZINC000051977420 822784725 /nfs/dbraw/zinc/78/47/25/822784725.db2.gz CHRYDMPCXNFBNX-HXUWFJFHSA-N 1 1 391.471 4.424 20 0 GIADMO C[C@H](CNC(=O)c1ccccc1Oc1cccnc1)[N@@H+]1CCc2sccc2C1 ZINC000051982604 822785488 /nfs/dbraw/zinc/78/54/88/822785488.db2.gz UPOHNOXCHVKLIP-MRXNPFEDSA-N 1 1 393.512 4.112 20 0 GIADMO C[C@H](CNC(=O)c1ccccc1Oc1cccnc1)[N@H+]1CCc2sccc2C1 ZINC000051982604 822785489 /nfs/dbraw/zinc/78/54/89/822785489.db2.gz UPOHNOXCHVKLIP-MRXNPFEDSA-N 1 1 393.512 4.112 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccccc3CC(F)(F)F)CC2)cs1 ZINC000174405663 822785842 /nfs/dbraw/zinc/78/58/42/822785842.db2.gz KDRGPJNIADWXMO-UHFFFAOYSA-N 1 1 397.466 4.407 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000185450410 822786039 /nfs/dbraw/zinc/78/60/39/822786039.db2.gz PCHWJZHYFDNWNY-CQSZACIVSA-N 1 1 376.476 4.372 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)ccc1OC ZINC000174408841 822786435 /nfs/dbraw/zinc/78/64/35/822786435.db2.gz HCOKPOZWJJXDBV-HXUWFJFHSA-N 1 1 381.520 4.380 20 0 GIADMO CSc1nc(C2CC2)nc(C)c1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000174418897 822787453 /nfs/dbraw/zinc/78/74/53/822787453.db2.gz YNMLUXQKVANGJH-HNNXBMFYSA-N 1 1 398.576 4.025 20 0 GIADMO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000185465278 822787527 /nfs/dbraw/zinc/78/75/27/822787527.db2.gz VGQMXRWEEQCSPB-KNQAVFIVSA-N 1 1 380.532 4.016 20 0 GIADMO COc1cc(-c2nc(C[NH+]3CCC(O)(c4ccccc4)CC3)cs2)ccc1O ZINC000185466863 822787644 /nfs/dbraw/zinc/78/76/44/822787644.db2.gz OVFXITGADRAANB-UHFFFAOYSA-N 1 1 396.512 4.008 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(Cn2nc(-c3ccc(Cl)cc3)[nH]c2=S)CC1 ZINC000052087413 822790304 /nfs/dbraw/zinc/79/03/04/822790304.db2.gz OMIVUDMXNBOIOO-UHFFFAOYSA-N 1 1 379.961 4.025 20 0 GIADMO OC1(c2ccccc2)CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000185493159 822790477 /nfs/dbraw/zinc/79/04/77/822790477.db2.gz DVUSWZNGNDCNQS-UHFFFAOYSA-N 1 1 378.541 4.412 20 0 GIADMO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185495702 822790706 /nfs/dbraw/zinc/79/07/06/822790706.db2.gz RTWHOWYHPYFECA-HSZRJFAPSA-N 1 1 386.495 4.350 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000174450576 822791477 /nfs/dbraw/zinc/79/14/77/822791477.db2.gz BZSBQCGRHZFLDD-MRXNPFEDSA-N 1 1 399.539 4.129 20 0 GIADMO COc1ccc(OC)c(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)c1 ZINC000174452504 822791802 /nfs/dbraw/zinc/79/18/02/822791802.db2.gz FAGBWLJMWQICDO-UHFFFAOYSA-N 1 1 380.488 4.219 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000052186712 822792784 /nfs/dbraw/zinc/79/27/84/822792784.db2.gz KVSRUUXNXFFHOC-SFHVURJKSA-N 1 1 387.568 4.108 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000052187018 822792794 /nfs/dbraw/zinc/79/27/94/822792794.db2.gz QIXMMPDVIGJHQK-UHFFFAOYSA-N 1 1 385.577 4.204 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000052191945 822792898 /nfs/dbraw/zinc/79/28/98/822792898.db2.gz GBFBSNPUJMNVQW-UHFFFAOYSA-N 1 1 388.496 4.412 20 0 GIADMO C[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccn(-c2ccccc2)n1 ZINC000052187783 822792956 /nfs/dbraw/zinc/79/29/56/822792956.db2.gz GVFUDPNDFMMZMP-UHFFFAOYSA-N 1 1 379.489 4.048 20 0 GIADMO C[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1ccn(-c2ccccc2)n1 ZINC000052187783 822792958 /nfs/dbraw/zinc/79/29/58/822792958.db2.gz GVFUDPNDFMMZMP-UHFFFAOYSA-N 1 1 379.489 4.048 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(O)(c4ccccc4)CC3)n2)cc1F ZINC000185523018 822793302 /nfs/dbraw/zinc/79/33/02/822793302.db2.gz SRSWVAQQHUOWHH-MRXNPFEDSA-N 1 1 381.451 4.229 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000174468941 822794450 /nfs/dbraw/zinc/79/44/50/822794450.db2.gz HVZUKIFMUJDOEV-ZFWWWQNUSA-N 1 1 386.367 4.395 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)C1 ZINC000174480614 822795319 /nfs/dbraw/zinc/79/53/19/822795319.db2.gz CRAYHIQVVKXDNX-OAHLLOKOSA-N 1 1 388.458 4.054 20 0 GIADMO COCC[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)c1cccc(C(F)(F)F)c1 ZINC000456299866 822795684 /nfs/dbraw/zinc/79/56/84/822795684.db2.gz SQXRRLRDSHPQRT-KRWDZBQOSA-N 1 1 397.441 4.309 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1 ZINC000174494163 822796505 /nfs/dbraw/zinc/79/65/05/822796505.db2.gz UKAZTKINXLEAGF-KRWDZBQOSA-N 1 1 386.923 4.333 20 0 GIADMO C[N@@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)C1CCCCCC1 ZINC000052331708 822796613 /nfs/dbraw/zinc/79/66/13/822796613.db2.gz ONKIRXKUTIMXJS-UHFFFAOYSA-N 1 1 384.520 4.267 20 0 GIADMO Cc1nc(-c2ccccc2)oc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456316435 822797688 /nfs/dbraw/zinc/79/76/88/822797688.db2.gz ADUVILDISHOTBM-GOSISDBHSA-N 1 1 389.499 4.244 20 0 GIADMO C[C@H]1CN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000456331698 822799237 /nfs/dbraw/zinc/79/92/37/822799237.db2.gz KMYMBHYYOGYBRR-NZSAHSFTSA-N 1 1 382.470 4.336 20 0 GIADMO O=C(Nc1cccc(Oc2ccccn2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000174514406 822799607 /nfs/dbraw/zinc/79/96/07/822799607.db2.gz KUTBBSLUGAVQGO-UHFFFAOYSA-N 1 1 388.471 4.224 20 0 GIADMO C[C@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456351903 822801187 /nfs/dbraw/zinc/80/11/87/822801187.db2.gz XIWAXOKFDHTJHK-QRQLOZEOSA-N 1 1 382.470 4.336 20 0 GIADMO C[C@@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456352058 822801353 /nfs/dbraw/zinc/80/13/53/822801353.db2.gz XVTNKSYSKZPIBR-NRFANRHFSA-N 1 1 392.543 4.410 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)C1 ZINC000174536562 822802592 /nfs/dbraw/zinc/80/25/92/822802592.db2.gz DRONXOZJSARRQP-INIZCTEOSA-N 1 1 396.959 4.187 20 0 GIADMO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000174554464 822804353 /nfs/dbraw/zinc/80/43/53/822804353.db2.gz BGUPUTXZRCIFLR-AWEZNQCLSA-N 1 1 393.329 4.010 20 0 GIADMO COc1ccc(Br)cc1C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000174554464 822804355 /nfs/dbraw/zinc/80/43/55/822804355.db2.gz BGUPUTXZRCIFLR-AWEZNQCLSA-N 1 1 393.329 4.010 20 0 GIADMO CC[C@@H](CNC(=O)CCCCC(=O)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000052591442 822804637 /nfs/dbraw/zinc/80/46/37/822804637.db2.gz FFPLEODXWMOKLA-QHCPKHFHSA-N 1 1 392.543 4.383 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nncn4C(C)C)C3)n2)cc1 ZINC000174557148 822804629 /nfs/dbraw/zinc/80/46/29/822804629.db2.gz VLZIQJQWUQIVTF-LJQANCHMSA-N 1 1 394.523 4.412 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nncn4C(C)C)C3)n2)cc1 ZINC000174557148 822804632 /nfs/dbraw/zinc/80/46/32/822804632.db2.gz VLZIQJQWUQIVTF-LJQANCHMSA-N 1 1 394.523 4.412 20 0 GIADMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000185640544 822805737 /nfs/dbraw/zinc/80/57/37/822805737.db2.gz MGEOFKJBRRDYMA-RTBURBONSA-N 1 1 389.268 4.330 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(Cl)c1F ZINC000174572235 822806589 /nfs/dbraw/zinc/80/65/89/822806589.db2.gz WRKRBQJLHPHSNW-INIZCTEOSA-N 1 1 375.875 4.465 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(Cl)c1F ZINC000174572245 822806603 /nfs/dbraw/zinc/80/66/03/822806603.db2.gz WRKRBQJLHPHSNW-MRXNPFEDSA-N 1 1 375.875 4.465 20 0 GIADMO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccnc2Cl)c2ccccc2)cc1 ZINC000052662348 822806705 /nfs/dbraw/zinc/80/67/05/822806705.db2.gz ZFLOKWADPOECPP-QRWLVFNGSA-N 1 1 395.890 4.450 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1F ZINC000052712396 822808247 /nfs/dbraw/zinc/80/82/47/822808247.db2.gz ZGUNBFPXZPXUFG-WDEREUQCSA-N 1 1 375.469 4.161 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000052803449 822811138 /nfs/dbraw/zinc/81/11/38/822811138.db2.gz MMNOAVVGRZVMFT-FQEVSTJZSA-N 1 1 397.544 4.196 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000052803449 822811141 /nfs/dbraw/zinc/81/11/41/822811141.db2.gz MMNOAVVGRZVMFT-FQEVSTJZSA-N 1 1 397.544 4.196 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000052803736 822811268 /nfs/dbraw/zinc/81/12/68/822811268.db2.gz KDMZDXOZTHHJLH-GOSISDBHSA-N 1 1 395.528 4.183 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000052803736 822811270 /nfs/dbraw/zinc/81/12/70/822811270.db2.gz KDMZDXOZTHHJLH-GOSISDBHSA-N 1 1 395.528 4.183 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2csc3ccccc23)c1 ZINC000052805610 822811352 /nfs/dbraw/zinc/81/13/52/822811352.db2.gz AJPVVVWPPPXLLL-AWEZNQCLSA-N 1 1 384.501 4.378 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2csc3ccccc23)c1 ZINC000052805610 822811354 /nfs/dbraw/zinc/81/13/54/822811354.db2.gz AJPVVVWPPPXLLL-AWEZNQCLSA-N 1 1 384.501 4.378 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706868 822812347 /nfs/dbraw/zinc/81/23/47/822812347.db2.gz JFOQZDDXJYQDNT-LVCYWYKZSA-N 1 1 385.596 4.381 20 0 GIADMO O=C(C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccccc1C(F)(F)F ZINC000052865525 822813376 /nfs/dbraw/zinc/81/33/76/822813376.db2.gz WWFHFWDHXRMPLZ-QGZVFWFLSA-N 1 1 392.421 4.325 20 0 GIADMO O=C(C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)Nc1ccccc1C(F)(F)F ZINC000052865525 822813378 /nfs/dbraw/zinc/81/33/78/822813378.db2.gz WWFHFWDHXRMPLZ-QGZVFWFLSA-N 1 1 392.421 4.325 20 0 GIADMO COc1ccc(C[N@H+](Cc2nc(Cc3ccccc3)no2)[C@H](C)C2CC2)cc1 ZINC000052867065 822813446 /nfs/dbraw/zinc/81/34/46/822813446.db2.gz PXMMVJLLOYMNEN-QGZVFWFLSA-N 1 1 377.488 4.470 20 0 GIADMO COc1ccc(C[N@@H+](Cc2nc(Cc3ccccc3)no2)[C@H](C)C2CC2)cc1 ZINC000052867065 822813449 /nfs/dbraw/zinc/81/34/49/822813449.db2.gz PXMMVJLLOYMNEN-QGZVFWFLSA-N 1 1 377.488 4.470 20 0 GIADMO CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H](C)c1cccc(O)c1 ZINC000174621887 822813763 /nfs/dbraw/zinc/81/37/63/822813763.db2.gz MSZWRMKAGJDLFY-ZDUSSCGKSA-N 1 1 392.883 4.084 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H](C)c1cccc(O)c1 ZINC000174621887 822813765 /nfs/dbraw/zinc/81/37/65/822813765.db2.gz MSZWRMKAGJDLFY-ZDUSSCGKSA-N 1 1 392.883 4.084 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000052877302 822813813 /nfs/dbraw/zinc/81/38/13/822813813.db2.gz SVIFRILWUHCIQC-MSOLQXFVSA-N 1 1 397.485 4.131 20 0 GIADMO COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1F ZINC000174630584 822814644 /nfs/dbraw/zinc/81/46/44/822814644.db2.gz RIQNSSCXJPUILH-JOCHJYFZSA-N 1 1 399.487 4.117 20 0 GIADMO COCc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000174630733 822814648 /nfs/dbraw/zinc/81/46/48/822814648.db2.gz QVWQYLJPANEBOX-QHCPKHFHSA-N 1 1 395.524 4.116 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000174631510 822814820 /nfs/dbraw/zinc/81/48/20/822814820.db2.gz KKBHZDXERSEKFB-RHSMWYFYSA-N 1 1 385.474 4.107 20 0 GIADMO Cc1nc(C)c(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)s1 ZINC000174632753 822815005 /nfs/dbraw/zinc/81/50/05/822815005.db2.gz RHGBXNQVUBGEEH-FQEVSTJZSA-N 1 1 386.542 4.043 20 0 GIADMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456552212 822815392 /nfs/dbraw/zinc/81/53/92/822815392.db2.gz DOGNSODQDMPEFJ-NQIIRXRSSA-N 1 1 382.479 4.385 20 0 GIADMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000052930005 822816046 /nfs/dbraw/zinc/81/60/46/822816046.db2.gz YRAGQLNWPFSVAS-INIZCTEOSA-N 1 1 389.952 4.202 20 0 GIADMO C[C@H](CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C(=O)c1cccc(F)c1 ZINC000174646771 822817081 /nfs/dbraw/zinc/81/70/81/822817081.db2.gz RCOURCJUTNTSBH-IAGOWNOFSA-N 1 1 398.478 4.067 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)cc1F ZINC000185748966 822817510 /nfs/dbraw/zinc/81/75/10/822817510.db2.gz OACHUQOGBZXQNT-SOLBZPMBSA-N 1 1 386.515 4.488 20 0 GIADMO C[N@@H+](Cc1cnc(-c2ccccc2)s1)C1CCN(CCc2ccccn2)CC1 ZINC000174656969 822819120 /nfs/dbraw/zinc/81/91/20/822819120.db2.gz YSHMBXDFEQYDMK-UHFFFAOYSA-N 1 1 392.572 4.344 20 0 GIADMO CN(Cc1cnc(-c2ccccc2)s1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174656969 822819124 /nfs/dbraw/zinc/81/91/24/822819124.db2.gz YSHMBXDFEQYDMK-UHFFFAOYSA-N 1 1 392.572 4.344 20 0 GIADMO C[C@@H](NCCOc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768833 822819534 /nfs/dbraw/zinc/81/95/34/822819534.db2.gz QIMHUDGQHOKTOY-CVEARBPZSA-N 1 1 381.358 4.071 20 0 GIADMO C[C@@H](NCCOc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768833 822819538 /nfs/dbraw/zinc/81/95/38/822819538.db2.gz QIMHUDGQHOKTOY-CVEARBPZSA-N 1 1 381.358 4.071 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000174659661 822819739 /nfs/dbraw/zinc/81/97/39/822819739.db2.gz JXCONRQLWHOXKX-CVEARBPZSA-N 1 1 375.925 4.081 20 0 GIADMO Cc1csc2nc(C[N@H+]3CCC[C@@H]3Cc3c(F)cccc3Cl)cc(=O)n12 ZINC000053086085 822820958 /nfs/dbraw/zinc/82/09/58/822820958.db2.gz QRCJYXDIOXCWIT-CQSZACIVSA-N 1 1 391.899 4.064 20 0 GIADMO CCC[N@@H+](CC)CCNC(=O)c1ccccc1SCc1csc(C)n1 ZINC000174673610 822821618 /nfs/dbraw/zinc/82/16/18/822821618.db2.gz NBWWOHKAFMOQLY-UHFFFAOYSA-N 1 1 377.579 4.206 20 0 GIADMO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174676921 822822052 /nfs/dbraw/zinc/82/20/52/822822052.db2.gz KWTGPLNPNRNOHC-IBGZPJMESA-N 1 1 382.895 4.491 20 0 GIADMO C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677688 822822216 /nfs/dbraw/zinc/82/22/16/822822216.db2.gz UKXUTCUGKRKACW-QGZVFWFLSA-N 1 1 382.895 4.491 20 0 GIADMO C[C@H](C(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1)N1CC[NH+](C)CC1 ZINC000174680989 822822482 /nfs/dbraw/zinc/82/24/82/822822482.db2.gz SBORQYBYLXAYOV-OAHLLOKOSA-N 1 1 389.952 4.066 20 0 GIADMO O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185821161 822824271 /nfs/dbraw/zinc/82/42/71/822824271.db2.gz CDPMJDWDZQLIBF-ZWKOTPCHSA-N 1 1 392.474 4.145 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000053180548 822824881 /nfs/dbraw/zinc/82/48/81/822824881.db2.gz YTLGPQOHMUYFDX-UHFFFAOYSA-N 1 1 392.406 4.118 20 0 GIADMO CCCCCOc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000053179939 822824971 /nfs/dbraw/zinc/82/49/71/822824971.db2.gz LKHNVVPNHZTEAQ-UHFFFAOYSA-N 1 1 378.476 4.075 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3C[C@H](C)C[C@@H]3c3ccccc3F)CC2)[nH+]c1 ZINC000174703705 822825734 /nfs/dbraw/zinc/82/57/34/822825734.db2.gz OQNXAVRWAUBWQU-DYESRHJHSA-N 1 1 381.495 4.355 20 0 GIADMO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CCC[C@H]2C2CCCCC2)s1 ZINC000053211910 822826288 /nfs/dbraw/zinc/82/62/88/822826288.db2.gz XLOHWRQSDLHQDL-KRWDZBQOSA-N 1 1 388.512 4.474 20 0 GIADMO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CCC[C@H]2C2CCCCC2)s1 ZINC000053211910 822826290 /nfs/dbraw/zinc/82/62/90/822826290.db2.gz XLOHWRQSDLHQDL-KRWDZBQOSA-N 1 1 388.512 4.474 20 0 GIADMO O=C(c1cc(Cl)c[nH]1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000053229159 822827041 /nfs/dbraw/zinc/82/70/41/822827041.db2.gz WZKJIVTXCPAYID-UHFFFAOYSA-N 1 1 377.875 4.196 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000053240701 822827712 /nfs/dbraw/zinc/82/77/12/822827712.db2.gz FILYNPOUYKVWSN-GOSISDBHSA-N 1 1 395.547 4.137 20 0 GIADMO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)ccc1[O-] ZINC000185869539 822828770 /nfs/dbraw/zinc/82/87/70/822828770.db2.gz FAFSBEDQSSCQEU-AWEZNQCLSA-N 1 1 390.325 4.117 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000053304919 822829656 /nfs/dbraw/zinc/82/96/56/822829656.db2.gz BJIXIPFRRAWRJF-CALCHBBNSA-N 1 1 397.519 4.018 20 0 GIADMO C[N@@H+](CCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000053349506 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4.066 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCc4c3cccc4C(F)(F)F)CC2)[nH+]c1 ZINC000185938729 822835380 /nfs/dbraw/zinc/83/53/80/822835380.db2.gz ROHWOSPHWMMZQV-UHFFFAOYSA-N 1 1 389.421 4.215 20 0 GIADMO CC(C)C[C@H](CCO)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000174783622 822836664 /nfs/dbraw/zinc/83/66/64/822836664.db2.gz SEZSSODCZVCOSR-SFHVURJKSA-N 1 1 386.540 4.221 20 0 GIADMO CC(C)COc1ccc(C(C)(C)CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000174786599 822836784 /nfs/dbraw/zinc/83/67/84/822836784.db2.gz FSOZMNJGOPLFOO-QUCCMNQESA-N 1 1 389.584 4.123 20 0 GIADMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@]2(CCSC2)C1 ZINC000456840565 822837142 /nfs/dbraw/zinc/83/71/42/822837142.db2.gz PDRLYEXMYYFDNW-GCJKJVERSA-N 1 1 387.593 4.239 20 0 GIADMO C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000174791366 822837485 /nfs/dbraw/zinc/83/74/85/822837485.db2.gz BGIIHEFGQHSKQZ-AEFFLSMTSA-N 1 1 386.565 4.387 20 0 GIADMO FC(F)Sc1ccc(NC(=S)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000053527685 822839161 /nfs/dbraw/zinc/83/91/61/822839161.db2.gz OIYZMEMTLWPCRC-UHFFFAOYSA-N 1 1 399.557 4.408 20 0 GIADMO FC(F)Sc1ccc(NC(=S)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000053527685 822839164 /nfs/dbraw/zinc/83/91/64/822839164.db2.gz OIYZMEMTLWPCRC-UHFFFAOYSA-N 1 1 399.557 4.408 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000053528956 822839236 /nfs/dbraw/zinc/83/92/36/822839236.db2.gz MSRYANAYOGMJBF-YOEHRIQHSA-N 1 1 391.487 4.410 20 0 GIADMO COCc1c(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)sc2cccc(F)c21 ZINC000053545775 822840078 /nfs/dbraw/zinc/84/00/78/822840078.db2.gz SUPALSGDUPOUBP-UHFFFAOYSA-N 1 1 396.447 4.328 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)cn1 ZINC000053546755 822840139 /nfs/dbraw/zinc/84/01/39/822840139.db2.gz LZWJRKHMIGYDIF-LLVKDONJSA-N 1 1 391.258 4.289 20 0 GIADMO CCCC[C@H](CC)CNC(=S)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053585054 822841782 /nfs/dbraw/zinc/84/17/82/822841782.db2.gz KUFQQZGXJFKWQM-IBGZPJMESA-N 1 1 386.609 4.157 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185993446 822841923 /nfs/dbraw/zinc/84/19/23/822841923.db2.gz SBQMBXZZJLZPPR-SFHVURJKSA-N 1 1 389.503 4.205 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 ZINC000185996022 822842080 /nfs/dbraw/zinc/84/20/80/822842080.db2.gz QXNOSXPFIMDASS-OAHLLOKOSA-N 1 1 386.459 4.454 20 0 GIADMO Cc1ccc(SCC(F)(F)F)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000174823749 822842228 /nfs/dbraw/zinc/84/22/28/822842228.db2.gz FVOZATNDPZOIEE-KGLIPLIRSA-N 1 1 387.471 4.350 20 0 GIADMO C[N@@H+](Cc1coc(-c2cccs2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826902 822842550 /nfs/dbraw/zinc/84/25/50/822842550.db2.gz LRRQKHUPTPYWFJ-UHFFFAOYSA-N 1 1 377.510 4.234 20 0 GIADMO COc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000053682255 822844785 /nfs/dbraw/zinc/84/47/85/822844785.db2.gz GRUYGBPTWMIPEI-CYBMUJFWSA-N 1 1 397.302 4.340 20 0 GIADMO COc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000053682255 822844788 /nfs/dbraw/zinc/84/47/88/822844788.db2.gz GRUYGBPTWMIPEI-CYBMUJFWSA-N 1 1 397.302 4.340 20 0 GIADMO C[C@]12CN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000456996657 822845301 /nfs/dbraw/zinc/84/53/01/822845301.db2.gz VGMBLVZDIQAMCM-DXFYQYRISA-N 1 1 381.564 4.388 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1OC ZINC000053710717 822845475 /nfs/dbraw/zinc/84/54/75/822845475.db2.gz OTPJOAWOKQRMKI-QGZVFWFLSA-N 1 1 384.520 4.158 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1OC ZINC000053710717 822845480 /nfs/dbraw/zinc/84/54/80/822845480.db2.gz OTPJOAWOKQRMKI-QGZVFWFLSA-N 1 1 384.520 4.158 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@H+](C)CCCOc3ccccc3C)[nH]c(=O)c2c1C ZINC000053721628 822846126 /nfs/dbraw/zinc/84/61/26/822846126.db2.gz LUJUNPLFOCIZKO-OAHLLOKOSA-N 1 1 385.533 4.372 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@@H+](C)CCCOc3ccccc3C)[nH]c(=O)c2c1C ZINC000053721628 822846130 /nfs/dbraw/zinc/84/61/30/822846130.db2.gz LUJUNPLFOCIZKO-OAHLLOKOSA-N 1 1 385.533 4.372 20 0 GIADMO COc1cccc(COCC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000053721978 822846240 /nfs/dbraw/zinc/84/62/40/822846240.db2.gz GIAROKRDXIVUNJ-SFHVURJKSA-N 1 1 382.504 4.225 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000174859146 822847560 /nfs/dbraw/zinc/84/75/60/822847560.db2.gz WOBQTUYXSAEYIO-UHFFFAOYSA-N 1 1 391.397 4.240 20 0 GIADMO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186056026 822847730 /nfs/dbraw/zinc/84/77/30/822847730.db2.gz ZPMCCJBIDNNTTN-HNNXBMFYSA-N 1 1 380.879 4.304 20 0 GIADMO O=C(C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1)C(F)(F)F ZINC000186058124 822848093 /nfs/dbraw/zinc/84/80/93/822848093.db2.gz JTIBTZNZFXSQAS-UHFFFAOYSA-N 1 1 378.394 4.004 20 0 GIADMO O=C(C1CC[NH+](CCCc2ccccc2Br)CC1)C(F)(F)F ZINC000186072130 822849200 /nfs/dbraw/zinc/84/92/00/822849200.db2.gz ZHCXVYZRCGPXGH-UHFFFAOYSA-N 1 1 378.232 4.225 20 0 GIADMO CSCc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000186081309 822849974 /nfs/dbraw/zinc/84/99/74/822849974.db2.gz BSBJKKGRLWIFEV-IRXDYDNUSA-N 1 1 384.545 4.411 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000186096130 822851267 /nfs/dbraw/zinc/85/12/67/822851267.db2.gz XZOFZSKFOREJGN-UZLBHIALSA-N 1 1 394.519 4.114 20 0 GIADMO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000186117139 822853142 /nfs/dbraw/zinc/85/31/42/822853142.db2.gz DPFCNVXNAXXRFP-PKOBYXMFSA-N 1 1 390.574 4.204 20 0 GIADMO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000186117176 822853247 /nfs/dbraw/zinc/85/32/47/822853247.db2.gz DPFCNVXNAXXRFP-IEBWSBKVSA-N 1 1 390.574 4.204 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000053944822 822853464 /nfs/dbraw/zinc/85/34/64/822853464.db2.gz AWSRUAPETQLDIS-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000053944822 822853467 /nfs/dbraw/zinc/85/34/67/822853467.db2.gz AWSRUAPETQLDIS-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO CC1(CC(F)(F)F)CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457111383 822854189 /nfs/dbraw/zinc/85/41/89/822854189.db2.gz FURQPFOWNPASAT-OAHLLOKOSA-N 1 1 383.458 4.294 20 0 GIADMO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457116030 822854770 /nfs/dbraw/zinc/85/47/70/822854770.db2.gz LAYLZSNCZQMSSX-LBPRGKRZSA-N 1 1 385.455 4.178 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2N2CCc3ccccc32)CC[N@H+]1C ZINC000174914087 822854972 /nfs/dbraw/zinc/85/49/72/822854972.db2.gz MDPANQKIIXNUFP-PKOBYXMFSA-N 1 1 378.520 4.327 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000457123592 822855503 /nfs/dbraw/zinc/85/55/03/822855503.db2.gz PHUXJPJBEOMHMA-HNNXBMFYSA-N 1 1 397.466 4.384 20 0 GIADMO CC(C)(NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1nccs1 ZINC000174916163 822855631 /nfs/dbraw/zinc/85/56/31/822855631.db2.gz BYLYSNJKLQVMOR-UHFFFAOYSA-N 1 1 379.529 4.197 20 0 GIADMO CCn1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000174925312 822856760 /nfs/dbraw/zinc/85/67/60/822856760.db2.gz ADETUAAUVVJLEX-FQEVSTJZSA-N 1 1 375.516 4.255 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC4(CCCC4)[C@H]3C(C)C)CC2)cs1 ZINC000457155310 822857811 /nfs/dbraw/zinc/85/78/11/822857811.db2.gz BAEZUZFZINBAOR-LJQANCHMSA-N 1 1 375.582 4.091 20 0 GIADMO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457161752 822858237 /nfs/dbraw/zinc/85/82/37/822858237.db2.gz DQVPKHHQNKNICO-AWEZNQCLSA-N 1 1 391.968 4.359 20 0 GIADMO Cc1cc(Br)cc2cc(C(=O)NCCCC[N@H+](C)C3CC3)oc21 ZINC000457163136 822858249 /nfs/dbraw/zinc/85/82/49/822858249.db2.gz GSACNMBFDXJRSQ-UHFFFAOYSA-N 1 1 379.298 4.108 20 0 GIADMO C[N@@H+](CCCCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000457171689 822858906 /nfs/dbraw/zinc/85/89/06/822858906.db2.gz SLWPQGHKSLACPW-PKOBYXMFSA-N 1 1 399.362 4.452 20 0 GIADMO CC[C@@H](C)C[N@H+](CC)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000174943947 822859291 /nfs/dbraw/zinc/85/92/91/822859291.db2.gz RCEGQOPGPQZHMJ-CYBMUJFWSA-N 1 1 387.475 4.364 20 0 GIADMO CC[C@@H](C)C[N@@H+](CC)Cn1nc(-c2ccncc2)n(CC(F)(F)F)c1=S ZINC000174943947 822859295 /nfs/dbraw/zinc/85/92/95/822859295.db2.gz RCEGQOPGPQZHMJ-CYBMUJFWSA-N 1 1 387.475 4.364 20 0 GIADMO CC(C)n1c2ccc(C(=O)NCCCC[N@@H+](C)C3CC3)cc2nc1C(F)(F)F ZINC000457195234 822860065 /nfs/dbraw/zinc/86/00/65/822860065.db2.gz GUELFPKNSCEUKQ-UHFFFAOYSA-N 1 1 396.457 4.240 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCOC(C)(C)C2)c1 ZINC000457220974 822861424 /nfs/dbraw/zinc/86/14/24/822861424.db2.gz VXPMQULMIIGPGA-OAQYLSRUSA-N 1 1 380.532 4.254 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCC[C@@]3(C)Cc3ccccc3)CC2)[nH+]c1 ZINC000186216263 822861662 /nfs/dbraw/zinc/86/16/62/822861662.db2.gz RITRADXBATUEAW-DEOSSOPVSA-N 1 1 377.532 4.230 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(-c2ccccc2)s1 ZINC000174969506 822862533 /nfs/dbraw/zinc/86/25/33/822862533.db2.gz DCKBAJHTPYKGKO-LJQANCHMSA-N 1 1 391.540 4.404 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cc(F)cc(F)c1 ZINC000174969478 822862612 /nfs/dbraw/zinc/86/26/12/822862612.db2.gz BHFXCZSDAWDMLZ-GOSISDBHSA-N 1 1 387.474 4.018 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-c2ccncc2)cc1 ZINC000186229050 822862849 /nfs/dbraw/zinc/86/28/49/822862849.db2.gz AAIGNVIGYIAVRZ-IIBYNOLFSA-N 1 1 378.497 4.318 20 0 GIADMO O=C(c1cccc(C(F)(F)F)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000054121722 822862999 /nfs/dbraw/zinc/86/29/99/822862999.db2.gz TYDBUCCGYQUFKP-UHFFFAOYSA-N 1 1 380.385 4.193 20 0 GIADMO O=C(c1cccc(C(F)(F)F)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054121722 822863002 /nfs/dbraw/zinc/86/30/02/822863002.db2.gz TYDBUCCGYQUFKP-UHFFFAOYSA-N 1 1 380.385 4.193 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000186234800 822863520 /nfs/dbraw/zinc/86/35/20/822863520.db2.gz TWRKSXDPWQOVPY-KRWDZBQOSA-N 1 1 397.544 4.106 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000054174379 822865998 /nfs/dbraw/zinc/86/59/98/822865998.db2.gz MYVJDKGBSBIDEA-VWLOTQADSA-N 1 1 398.510 4.406 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000054174379 822866001 /nfs/dbraw/zinc/86/60/01/822866001.db2.gz MYVJDKGBSBIDEA-VWLOTQADSA-N 1 1 398.510 4.406 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1ccc(Cl)c2ccccc12)c1nc(-c2nc[nH]n2)no1 ZINC000568983979 822867392 /nfs/dbraw/zinc/86/73/92/822867392.db2.gz SHIBTGSHTHKQPA-INIZCTEOSA-N 1 1 382.855 4.148 20 0 GIADMO COc1ccc([C@H](NC(=O)C[NH2+]C2(c3nccs3)CCCC2)C(C)C)cc1 ZINC000175014215 822867455 /nfs/dbraw/zinc/86/74/55/822867455.db2.gz SUYZNGIUGMOOGP-LJQANCHMSA-N 1 1 387.549 4.024 20 0 GIADMO CC(C)c1nc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cs1 ZINC000186273897 822868337 /nfs/dbraw/zinc/86/83/37/822868337.db2.gz INCILDKDLWJNOH-TZMCWYRMSA-N 1 1 388.455 4.376 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3Br)CCCC2)n1 ZINC000175019653 822868623 /nfs/dbraw/zinc/86/86/23/822868623.db2.gz OPPSCZSNMTWIHL-UHFFFAOYSA-N 1 1 394.338 4.212 20 0 GIADMO Cc1c(F)cccc1NC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175020327 822868647 /nfs/dbraw/zinc/86/86/47/822868647.db2.gz IROAASLWPCCWTB-IYBDPMFKSA-N 1 1 385.483 4.065 20 0 GIADMO Cc1c(F)cccc1NC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175020327 822868651 /nfs/dbraw/zinc/86/86/51/822868651.db2.gz IROAASLWPCCWTB-IYBDPMFKSA-N 1 1 385.483 4.065 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000054224115 822869264 /nfs/dbraw/zinc/86/92/64/822869264.db2.gz KMVWUUNBCHJIHW-CJNGLKHVSA-N 1 1 391.284 4.154 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2F)C1 ZINC000054224742 822869642 /nfs/dbraw/zinc/86/96/42/822869642.db2.gz WMZUCDFVMCDPLZ-CJNGLKHVSA-N 1 1 391.284 4.154 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000054225412 822869654 /nfs/dbraw/zinc/86/96/54/822869654.db2.gz AUCZGRHZCPORKV-WBVHZDCISA-N 1 1 397.569 4.366 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000054227774 822869881 /nfs/dbraw/zinc/86/98/81/822869881.db2.gz AXTNHOQRULYKRX-LMMKCTJWSA-N 1 1 384.545 4.128 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccn2Cc2cccs2)C1 ZINC000054227889 822869896 /nfs/dbraw/zinc/86/98/96/822869896.db2.gz TWEJHCBVKZDOMM-MJGOQNOKSA-N 1 1 379.529 4.163 20 0 GIADMO COc1ccc(CCC[N@H+](C)Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000186287055 822870981 /nfs/dbraw/zinc/87/09/81/822870981.db2.gz VZZWRIZXGSJLRE-UHFFFAOYSA-N 1 1 384.911 4.209 20 0 GIADMO COc1ccc(CCC[N@@H+](C)Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000186287055 822870985 /nfs/dbraw/zinc/87/09/85/822870985.db2.gz VZZWRIZXGSJLRE-UHFFFAOYSA-N 1 1 384.911 4.209 20 0 GIADMO Cc1cc(Br)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)s1 ZINC000457382864 822871844 /nfs/dbraw/zinc/87/18/44/822871844.db2.gz DLXLCZOSGKMFDK-UHFFFAOYSA-N 1 1 381.339 4.071 20 0 GIADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c(-c2ccccc2)o1 ZINC000569040953 822872360 /nfs/dbraw/zinc/87/23/60/822872360.db2.gz IGFIBYOSBLZVRH-UZLBHIALSA-N 1 1 375.472 4.043 20 0 GIADMO Cc1nc(COc2cccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c2)cs1 ZINC000175044409 822872786 /nfs/dbraw/zinc/87/27/86/822872786.db2.gz ZCULFKNPFYOQMF-UXHICEINSA-N 1 1 399.560 4.118 20 0 GIADMO CCOC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000175049250 822873492 /nfs/dbraw/zinc/87/34/92/822873492.db2.gz HTMUOQQLYNCMRE-FQEVSTJZSA-N 1 1 399.466 4.022 20 0 GIADMO CCOC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000175049250 822873497 /nfs/dbraw/zinc/87/34/97/822873497.db2.gz HTMUOQQLYNCMRE-FQEVSTJZSA-N 1 1 399.466 4.022 20 0 GIADMO Cc1cc(CNC(=O)NCC2(c3cccc(Cl)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000569059810 822875313 /nfs/dbraw/zinc/87/53/13/822875313.db2.gz WOGNRHIHJIJHTM-UHFFFAOYSA-N 1 1 398.938 4.175 20 0 GIADMO CC(C)C[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000569062635 822875690 /nfs/dbraw/zinc/87/56/90/822875690.db2.gz DMJIZQHPVUZASL-OAQYLSRUSA-N 1 1 379.483 4.337 20 0 GIADMO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(OCC(C)C)CC2)o1 ZINC000054323732 822876319 /nfs/dbraw/zinc/87/63/19/822876319.db2.gz QXUWZCIGACTVJW-UHFFFAOYSA-N 1 1 396.491 4.337 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(N(C)C)nc3ccccc32)C1 ZINC000186364836 822882324 /nfs/dbraw/zinc/88/23/24/822882324.db2.gz OIDSNYFKRLRPSK-OALUTQOASA-N 1 1 394.563 4.027 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569136788 822882888 /nfs/dbraw/zinc/88/28/88/822882888.db2.gz UKNQEEJPFWDBQU-LBPRGKRZSA-N 1 1 392.290 4.255 20 0 GIADMO COC(=O)c1csc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000569150286 822884237 /nfs/dbraw/zinc/88/42/37/822884237.db2.gz YUAPSHYIZPNNAT-MIJOPJBOSA-N 1 1 384.545 4.381 20 0 GIADMO CCC[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@H]1CCCCO1 ZINC000569150434 822884608 /nfs/dbraw/zinc/88/46/08/822884608.db2.gz SLLGZFSVDJBVMO-IQMFZBJNSA-N 1 1 378.365 4.382 20 0 GIADMO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000569156746 822885667 /nfs/dbraw/zinc/88/56/67/822885667.db2.gz NLHGFLDLLKFGKB-GASCZTMLSA-N 1 1 381.398 4.358 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000054451146 822887144 /nfs/dbraw/zinc/88/71/44/822887144.db2.gz ZRFKVVXKJVGSFM-CJNGLKHVSA-N 1 1 399.545 4.224 20 0 GIADMO COc1ccc([C@@H](CN[C@@H](C)c2csc(C(C)C)n2)[NH+](C)C)cc1OC ZINC000186393640 822887398 /nfs/dbraw/zinc/88/73/98/822887398.db2.gz MACHGWCASUBKOH-WMLDXEAASA-N 1 1 377.554 4.237 20 0 GIADMO CCc1cccc(Oc2ccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cn2)c1 ZINC000175125443 822887672 /nfs/dbraw/zinc/88/76/72/822887672.db2.gz VJVYJFNVAWTLQM-APWZRJJASA-N 1 1 382.508 4.383 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000186401142 822888315 /nfs/dbraw/zinc/88/83/15/822888315.db2.gz XTOUQLAFNLKAJJ-UHFFFAOYSA-N 1 1 381.501 4.038 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cnc3cnccn23)[C@H]2CCCC[C@H]2C)cc1OC ZINC000569172465 822888464 /nfs/dbraw/zinc/88/84/64/822888464.db2.gz LMVPHNXSVQEHII-XLIONFOSSA-N 1 1 394.519 4.327 20 0 GIADMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000175130991 822888631 /nfs/dbraw/zinc/88/86/31/822888631.db2.gz XJRCCEXBINIXMR-QFIPXVFZSA-N 1 1 377.488 4.275 20 0 GIADMO CC(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000175135379 822889513 /nfs/dbraw/zinc/88/95/13/822889513.db2.gz XNZFUUZAEZVRLZ-XLIONFOSSA-N 1 1 399.560 4.009 20 0 GIADMO CC[C@@]1(C)Oc2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2O1 ZINC000569185393 822890156 /nfs/dbraw/zinc/89/01/56/822890156.db2.gz ACDULQHBPKETMP-GCJKJVERSA-N 1 1 381.476 4.105 20 0 GIADMO CC[C@@]1(C)Oc2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2O1 ZINC000569185393 822890163 /nfs/dbraw/zinc/89/01/63/822890163.db2.gz ACDULQHBPKETMP-GCJKJVERSA-N 1 1 381.476 4.105 20 0 GIADMO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000054513694 822892016 /nfs/dbraw/zinc/89/20/16/822892016.db2.gz RRYXVGDODXBKEL-CYBMUJFWSA-N 1 1 379.279 4.213 20 0 GIADMO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000054513694 822892019 /nfs/dbraw/zinc/89/20/19/822892019.db2.gz RRYXVGDODXBKEL-CYBMUJFWSA-N 1 1 379.279 4.213 20 0 GIADMO CCN(Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S)C1CCCC1 ZINC000054521025 822892934 /nfs/dbraw/zinc/89/29/34/822892934.db2.gz OLEOGDLIINFHPV-OAHLLOKOSA-N 1 1 391.560 4.387 20 0 GIADMO CCC(C)(C)OCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000457575587 822893481 /nfs/dbraw/zinc/89/34/81/822893481.db2.gz LORZVZVGPABQNT-UHFFFAOYSA-N 1 1 387.351 4.279 20 0 GIADMO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186433967 822894742 /nfs/dbraw/zinc/89/47/42/822894742.db2.gz IYNYJROPWXWGKK-JOCHJYFZSA-N 1 1 392.480 4.170 20 0 GIADMO c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186433967 822894744 /nfs/dbraw/zinc/89/47/44/822894744.db2.gz IYNYJROPWXWGKK-JOCHJYFZSA-N 1 1 392.480 4.170 20 0 GIADMO Cc1nc2nc(=S)n(C[N@@H+]3CCC[C@@H]3CCc3ccccc3)n2c(C)c1C ZINC000054549641 822894907 /nfs/dbraw/zinc/89/49/07/822894907.db2.gz NVZPRAYFBMSSMM-LJQANCHMSA-N 1 1 381.549 4.240 20 0 GIADMO Cc1nc2nc(=S)n(C[N@H+]3CCC[C@@H]3CCc3ccccc3)n2c(C)c1C ZINC000054549641 822894908 /nfs/dbraw/zinc/89/49/08/822894908.db2.gz NVZPRAYFBMSSMM-LJQANCHMSA-N 1 1 381.549 4.240 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C[C@@H]1C ZINC000457591779 822895588 /nfs/dbraw/zinc/89/55/88/822895588.db2.gz ZXWACNSMCJHICU-DOTOQJQBSA-N 1 1 387.911 4.472 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C[C@H]1C ZINC000457591782 822895660 /nfs/dbraw/zinc/89/56/60/822895660.db2.gz ZXWACNSMCJHICU-NVXWUHKLSA-N 1 1 387.911 4.472 20 0 GIADMO Fc1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1OCC(F)(F)F ZINC000186452256 822897884 /nfs/dbraw/zinc/89/78/84/822897884.db2.gz XPSXABRLGJJUCH-LJQANCHMSA-N 1 1 381.369 4.398 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000054606106 822898407 /nfs/dbraw/zinc/89/84/07/822898407.db2.gz LDTUASSTGCKEEZ-AWEZNQCLSA-N 1 1 383.883 4.132 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000054607864 822898729 /nfs/dbraw/zinc/89/87/29/822898729.db2.gz MLBXEMXMSIGXNH-INIZCTEOSA-N 1 1 385.471 4.289 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000054607138 822898783 /nfs/dbraw/zinc/89/87/83/822898783.db2.gz QNFPGYYRWILMNE-IBGZPJMESA-N 1 1 377.492 4.162 20 0 GIADMO CC[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1C)c1cccc(Cl)c1 ZINC000054609984 822899009 /nfs/dbraw/zinc/89/90/09/822899009.db2.gz SJTMCINASQSFQO-SFHVURJKSA-N 1 1 383.883 4.180 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000054620691 822899469 /nfs/dbraw/zinc/89/94/69/822899469.db2.gz UHXJDMVUYSYSND-GFCCVEGCSA-N 1 1 388.924 4.343 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)C2CC2)cc1 ZINC000186466267 822900054 /nfs/dbraw/zinc/90/00/54/822900054.db2.gz WNYXNFIGWWUZDH-FQEVSTJZSA-N 1 1 382.895 4.385 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)cn1 ZINC000054626328 822900078 /nfs/dbraw/zinc/90/00/78/822900078.db2.gz AGGXRFVJPGVIFM-UHFFFAOYSA-N 1 1 389.286 4.132 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccccc2N(C)C)ccc1OCc1ccncc1 ZINC000569276064 822900154 /nfs/dbraw/zinc/90/01/54/822900154.db2.gz KSBCGNIRHBTUJX-UHFFFAOYSA-N 1 1 391.515 4.367 20 0 GIADMO Cc1oc2ccc(NC(=O)N3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)cc2c1C ZINC000186473721 822901085 /nfs/dbraw/zinc/90/10/85/822901085.db2.gz CTJGHFRXKXGFJK-CALCHBBNSA-N 1 1 398.551 4.072 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc3oc(C)c(C)c3c2)[C@H](C)C1 ZINC000186474320 822901142 /nfs/dbraw/zinc/90/11/42/822901142.db2.gz GYEBUGOBTBKKSF-FOIQADDNSA-N 1 1 387.524 4.308 20 0 GIADMO Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2)cc1 ZINC000457669074 822904026 /nfs/dbraw/zinc/90/40/26/822904026.db2.gz KMYLCIJHBAAJCR-WZONZLPQSA-N 1 1 391.515 4.271 20 0 GIADMO COC[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000457669546 822904169 /nfs/dbraw/zinc/90/41/69/822904169.db2.gz XKMNYKYLMSHAHH-PMACEKPBSA-N 1 1 387.568 4.019 20 0 GIADMO Cc1c(Cl)cncc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457684187 822906342 /nfs/dbraw/zinc/90/63/42/822906342.db2.gz HYKLRCCAJKGZOM-ACJLOTCBSA-N 1 1 396.293 4.259 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000054718220 822907325 /nfs/dbraw/zinc/90/73/25/822907325.db2.gz HVBDUXYSSSFNIE-HOCLYGCPSA-N 1 1 377.941 4.378 20 0 GIADMO Cn1ncc2c1CCCN(C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C2 ZINC000569332641 822908576 /nfs/dbraw/zinc/90/85/76/822908576.db2.gz DIXCZVRGOANDQN-UHFFFAOYSA-N 1 1 395.551 4.165 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457704028 822908769 /nfs/dbraw/zinc/90/87/69/822908769.db2.gz TUVFVUXWQBVKGJ-CUDZTTRCSA-N 1 1 394.918 4.077 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457704028 822908772 /nfs/dbraw/zinc/90/87/72/822908772.db2.gz TUVFVUXWQBVKGJ-CUDZTTRCSA-N 1 1 394.918 4.077 20 0 GIADMO Cc1cccc(-c2noc(C[NH2+][C@H]3CCN(C)[C@@H]3c3ccc(Cl)cc3)n2)c1 ZINC000569341887 822909406 /nfs/dbraw/zinc/90/94/06/822909406.db2.gz WYEWLSCBMDOIIP-AZUAARDMSA-N 1 1 382.895 4.233 20 0 GIADMO CC(=O)c1cc(CN(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)on1 ZINC000569352046 822910538 /nfs/dbraw/zinc/91/05/38/822910538.db2.gz UHAGYMBOJYHBCY-UHFFFAOYSA-N 1 1 377.488 4.011 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000186551791 822911836 /nfs/dbraw/zinc/91/18/36/822911836.db2.gz AUJFXBSGIPMSBQ-GUXCAODWSA-N 1 1 388.533 4.136 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186564327 822914046 /nfs/dbraw/zinc/91/40/46/822914046.db2.gz OILDWWJIHNWYGN-OCCSQVGLSA-N 1 1 376.397 4.048 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000457754344 822915037 /nfs/dbraw/zinc/91/50/37/822915037.db2.gz PHWCEVAEWVEOJX-BLLLJJGKSA-N 1 1 393.350 4.069 20 0 GIADMO Cc1nc2ccc(C(=O)Nc3nc(C[NH+]4CCCCCC4)cs3)cc2nc1C ZINC000054828154 822916071 /nfs/dbraw/zinc/91/60/71/822916071.db2.gz DSEMCWUCAOEBIF-UHFFFAOYSA-N 1 1 395.532 4.331 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCCn1cc[nH+]c1C ZINC000054839014 822916580 /nfs/dbraw/zinc/91/65/80/822916580.db2.gz XSOQWTAYLYFPRZ-OAHLLOKOSA-N 1 1 383.521 4.074 20 0 GIADMO CCCn1c2ccccc2nc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186588422 822918444 /nfs/dbraw/zinc/91/84/44/822918444.db2.gz CLJHJVZVSUFJQB-UHFFFAOYSA-N 1 1 381.495 4.155 20 0 GIADMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000569411139 822918591 /nfs/dbraw/zinc/91/85/91/822918591.db2.gz XGOTYKOCUOJKTQ-GFCCVEGCSA-N 1 1 388.817 4.367 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000175269395 822920429 /nfs/dbraw/zinc/92/04/29/822920429.db2.gz CKQARTVDIOADMO-OAHLLOKOSA-N 1 1 380.319 4.306 20 0 GIADMO O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2cc3cccnc3o2)CC1 ZINC000569425120 822921205 /nfs/dbraw/zinc/92/12/05/822921205.db2.gz WFYNTXPZYIHCSJ-UHFFFAOYSA-N 1 1 384.867 4.221 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000569423934 822921283 /nfs/dbraw/zinc/92/12/83/822921283.db2.gz RWXZENSHIVNRNY-JKIFEVAISA-N 1 1 382.346 4.024 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186600647 822921478 /nfs/dbraw/zinc/92/14/78/822921478.db2.gz RUDGLWVQNCKPLP-BXKMTCNYSA-N 1 1 378.516 4.270 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186600647 822921480 /nfs/dbraw/zinc/92/14/80/822921480.db2.gz RUDGLWVQNCKPLP-BXKMTCNYSA-N 1 1 378.516 4.270 20 0 GIADMO CCCc1nc(C)c(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000175274270 822921698 /nfs/dbraw/zinc/92/16/98/822921698.db2.gz FYBBZUMYOCGKIP-IBGZPJMESA-N 1 1 385.577 4.388 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000569433260 822922434 /nfs/dbraw/zinc/92/24/34/822922434.db2.gz PEIOWDCAEZRHGT-GHTZIAJQSA-N 1 1 380.536 4.371 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000569433260 822922440 /nfs/dbraw/zinc/92/24/40/822922440.db2.gz PEIOWDCAEZRHGT-GHTZIAJQSA-N 1 1 380.536 4.371 20 0 GIADMO CC(C)n1c(CC(C)(C)C)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000569438594 822923204 /nfs/dbraw/zinc/92/32/04/822923204.db2.gz HLRYGKGFTZYDCB-UHFFFAOYSA-N 1 1 384.572 4.364 20 0 GIADMO Cc1cccc(Oc2ccc(C(=O)N3CC[N@H+](C4CCC4)C[C@H](C)C3)nc2)c1 ZINC000457826708 822923235 /nfs/dbraw/zinc/92/32/35/822923235.db2.gz ZMSSLHVNINLVRO-SFHVURJKSA-N 1 1 379.504 4.129 20 0 GIADMO Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)o1 ZINC000175282018 822923371 /nfs/dbraw/zinc/92/33/71/822923371.db2.gz MIWPIZLWBHFYBW-OXJNMPFZSA-N 1 1 396.535 4.443 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)C2)C1 ZINC000457834004 822923986 /nfs/dbraw/zinc/92/39/86/822923986.db2.gz QQJPDPGHJQYAIH-GGAORHGYSA-N 1 1 381.495 4.042 20 0 GIADMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1cc(F)cc2cccnc21 ZINC000569465803 822926442 /nfs/dbraw/zinc/92/64/42/822926442.db2.gz UOLMVOKVDUVJJI-FQEVSTJZSA-N 1 1 389.430 4.228 20 0 GIADMO CCCCOc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000457864730 822926712 /nfs/dbraw/zinc/92/67/12/822926712.db2.gz KBBVERBWEBSPIX-IEBWSBKVSA-N 1 1 391.556 4.059 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@H+]3C[C@@H](c4cnn(C)c4)C(C)(C)C3)n2)ccc1F ZINC000569469380 822926794 /nfs/dbraw/zinc/92/67/94/822926794.db2.gz WNVMNPSBOBRDBF-PBHICJAKSA-N 1 1 383.471 4.104 20 0 GIADMO CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175294457 822927223 /nfs/dbraw/zinc/92/72/23/822927223.db2.gz NVIJAMHGEYQJKF-ROUUACIJSA-N 1 1 379.595 4.031 20 0 GIADMO C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000186639513 822927750 /nfs/dbraw/zinc/92/77/50/822927750.db2.gz MKKHUORNDKBWQW-UHFFFAOYSA-N 1 1 390.524 4.163 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000054984703 822928622 /nfs/dbraw/zinc/92/86/22/822928622.db2.gz HMUMGIYCHKUWRM-UHFFFAOYSA-N 1 1 392.315 4.369 20 0 GIADMO CC(C)C(=O)Nc1ccc(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569489704 822928978 /nfs/dbraw/zinc/92/89/78/822928978.db2.gz NPOUEFQZHKELCY-QHCPKHFHSA-N 1 1 394.519 4.067 20 0 GIADMO CC[C@@H](NCc1ccncc1OCC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000569499915 822930503 /nfs/dbraw/zinc/93/05/03/822930503.db2.gz OPMJWPHAQQIGOJ-HSZRJFAPSA-N 1 1 393.531 4.425 20 0 GIADMO CC(C)OCCCNC(=O)C1CC[NH+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000186662664 822932081 /nfs/dbraw/zinc/93/20/81/822932081.db2.gz ZPMDNJSGYMUICJ-OAHLLOKOSA-N 1 1 384.923 4.183 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1cccc2ccccc21 ZINC000186681367 822936273 /nfs/dbraw/zinc/93/62/73/822936273.db2.gz KYVWPRUOYTZPJU-IQGLISFBSA-N 1 1 386.495 4.148 20 0 GIADMO C[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1cccc2ccccc21 ZINC000186681367 822936275 /nfs/dbraw/zinc/93/62/75/822936275.db2.gz KYVWPRUOYTZPJU-IQGLISFBSA-N 1 1 386.495 4.148 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)CSc1nncs1)C1CCCCC1 ZINC000055101403 822938244 /nfs/dbraw/zinc/93/82/44/822938244.db2.gz JYOXNKYLIIFGGU-UHFFFAOYSA-N 1 1 376.551 4.033 20 0 GIADMO Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(c4ccc(O)cc4)CC3)c2C)no1 ZINC000055103176 822938666 /nfs/dbraw/zinc/93/86/66/822938666.db2.gz RBCVDCSZMKIAMD-UHFFFAOYSA-N 1 1 393.487 4.158 20 0 GIADMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccccc1OC(F)F)C1CCOCC1 ZINC000569571999 822941249 /nfs/dbraw/zinc/94/12/49/822941249.db2.gz SEIVWGJSLFEOTH-UHFFFAOYSA-N 1 1 385.451 4.001 20 0 GIADMO C[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc2ccccc2c1 ZINC000186708587 822941657 /nfs/dbraw/zinc/94/16/57/822941657.db2.gz VCRSPEHKILZGFP-AVRWGWEMSA-N 1 1 386.495 4.148 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc2ccccc2c1 ZINC000186708587 822941659 /nfs/dbraw/zinc/94/16/59/822941659.db2.gz VCRSPEHKILZGFP-AVRWGWEMSA-N 1 1 386.495 4.148 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000055193629 822944812 /nfs/dbraw/zinc/94/48/12/822944812.db2.gz IZPCLJJRYPEVRU-INIZCTEOSA-N 1 1 389.927 4.308 20 0 GIADMO COC(=O)[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000569618918 822945757 /nfs/dbraw/zinc/94/57/57/822945757.db2.gz KVTMCBCNLFLMOR-VGSWGCGISA-N 1 1 384.495 4.062 20 0 GIADMO CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)c2ccccc21 ZINC000569634485 822948080 /nfs/dbraw/zinc/94/80/80/822948080.db2.gz XQWUZQSBDFIDFQ-XZOQPEGZSA-N 1 1 389.499 4.203 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000186749796 822949375 /nfs/dbraw/zinc/94/93/75/822949375.db2.gz MNKYHECMLRODGC-UHFFFAOYSA-N 1 1 393.409 4.059 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1Cc2ccccc2C2(CC2)C1 ZINC000186752065 822949843 /nfs/dbraw/zinc/94/98/43/822949843.db2.gz SKCQYCJPUFJWRB-UHFFFAOYSA-N 1 1 393.556 4.315 20 0 GIADMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1sc2ccccc2c1Br ZINC000569652505 822950391 /nfs/dbraw/zinc/95/03/91/822950391.db2.gz AANTTYHLHLENSP-LBPRGKRZSA-N 1 1 381.339 4.268 20 0 GIADMO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175374021 822950678 /nfs/dbraw/zinc/95/06/78/822950678.db2.gz BLHDJLPNTYEKKT-JCQPUDPBSA-N 1 1 396.350 4.388 20 0 GIADMO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175374021 822950684 /nfs/dbraw/zinc/95/06/84/822950684.db2.gz BLHDJLPNTYEKKT-JCQPUDPBSA-N 1 1 396.350 4.388 20 0 GIADMO CC[C@H]([NH2+]Cc1cc(Br)ccc1Br)c1cnn(C)c1 ZINC000186761610 822951182 /nfs/dbraw/zinc/95/11/82/822951182.db2.gz BGFWEMLVOFXRKY-AWEZNQCLSA-N 1 1 387.119 4.186 20 0 GIADMO CN(Cc1ccccc1)c1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000175388619 822955363 /nfs/dbraw/zinc/95/53/63/822955363.db2.gz DCTIBWVWRZVBDF-BRTIRZTQSA-N 1 1 392.547 4.460 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2CN2CCc3ccccc32)CC[N@H+]1C ZINC000175389214 822955752 /nfs/dbraw/zinc/95/57/52/822955752.db2.gz BTFHBYHVUCATGF-GHTZIAJQSA-N 1 1 392.547 4.196 20 0 GIADMO O=C(C[C@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1)NCc1ccc(F)cc1 ZINC000569720153 822958736 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ZINC000175508506 822986286 /nfs/dbraw/zinc/98/62/86/822986286.db2.gz HLVAJXJZZZQPNO-WWDZGPRUSA-N 1 1 393.597 4.132 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC(F)F)c3cccnc23)[C@H](C)C1 ZINC000186979515 822991336 /nfs/dbraw/zinc/99/13/36/822991336.db2.gz AEAICKAPQAOEJA-CZUORRHYSA-N 1 1 392.450 4.030 20 0 GIADMO O=C(c1cccc(F)c1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534598 822992582 /nfs/dbraw/zinc/99/25/82/822992582.db2.gz JDDPQZJHWBOVSN-KRWDZBQOSA-N 1 1 394.412 4.352 20 0 GIADMO CCOc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1OC ZINC000186997908 822994668 /nfs/dbraw/zinc/99/46/68/822994668.db2.gz VKHNLYFOAMQVCY-NSHDSACASA-N 1 1 383.261 4.241 20 0 GIADMO C[C@H](NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1)C1=CC[N@@H+](C)CC1 ZINC000569999478 822994924 /nfs/dbraw/zinc/99/49/24/822994924.db2.gz ZQSPXOVFBSBEIP-HNNXBMFYSA-N 1 1 394.906 4.059 20 0 GIADMO COc1ccc2nc(C[NH+]3CCC([C@H](O)c4ccc(F)cc4)CC3)sc2c1 ZINC000187008193 822996544 /nfs/dbraw/zinc/99/65/44/822996544.db2.gz 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CCOC1CC2(C1)CC[N@@H+](Cc1cnn(-c3ccc(C(F)(F)F)cc3)c1)C2 ZINC000570084367 823004502 /nfs/dbraw/zinc/00/45/02/823004502.db2.gz GYOPLFNZNKUNTB-UHFFFAOYSA-N 1 1 379.426 4.282 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ncc(Br)cc1F ZINC000187055136 823004549 /nfs/dbraw/zinc/00/45/49/823004549.db2.gz XJNIOIZAPXADQX-LBPRGKRZSA-N 1 1 375.245 4.020 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CC[C@@H](c4ccccc4)[C@@H]3C)n2)c(OC)c1 ZINC000175605201 823005489 /nfs/dbraw/zinc/00/54/89/823005489.db2.gz WKNXPMDEEIBMMS-MAUKXSAKSA-N 1 1 379.460 4.132 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000187088008 823009040 /nfs/dbraw/zinc/00/90/40/823009040.db2.gz LOVFLUPSCAHKHZ-QAPCUYQASA-N 1 1 375.900 4.039 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N2CCC(C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175635840 823010574 /nfs/dbraw/zinc/01/05/74/823010574.db2.gz JMJSITCWCVFBAK-CRAIPNDOSA-N 1 1 383.458 4.023 20 0 GIADMO COc1cc(C2(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)ccc1C ZINC000570164963 823011684 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ZINC000175767933 823035317 /nfs/dbraw/zinc/03/53/17/823035317.db2.gz IYNZLUNTJPMQDR-SFHVURJKSA-N 1 1 399.560 4.133 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CC(C)(CC(F)(F)F)C2)[C@H]1c1cccs1 ZINC000458414750 823038029 /nfs/dbraw/zinc/03/80/29/823038029.db2.gz CXUWXZVEZRGGQA-ZFWWWQNUSA-N 1 1 389.487 4.115 20 0 GIADMO C[C@@H](O)CC(C)(C)CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000175778703 823038251 /nfs/dbraw/zinc/03/82/51/823038251.db2.gz APSWZMOSXKWAAG-GOSISDBHSA-N 1 1 389.584 4.047 20 0 GIADMO C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437913 823038353 /nfs/dbraw/zinc/03/83/53/823038353.db2.gz HYEOQRJPNLPWIU-GDIGMMSISA-N 1 1 382.508 4.440 20 0 GIADMO Cc1cn2cc(NC(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000570439313 823038473 /nfs/dbraw/zinc/03/84/73/823038473.db2.gz UVEJCPKHVFTYCP-FQEVSTJZSA-N 1 1 391.519 4.067 20 0 GIADMO c1ccc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)ns4)C[C@@H]3C2)cc1 ZINC000570443421 823039285 /nfs/dbraw/zinc/03/92/85/823039285.db2.gz ZLAGMZFUOXIZPS-PMACEKPBSA-N 1 1 376.529 4.163 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC[N@H+]1C ZINC000187299600 823039326 /nfs/dbraw/zinc/03/93/26/823039326.db2.gz IOIMLIILQAQJEZ-ZIAGYGMSSA-N 1 1 396.409 4.400 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000187314553 823042067 /nfs/dbraw/zinc/04/20/67/823042067.db2.gz HFJLNEZZDNYXKS-JOCHJYFZSA-N 1 1 389.499 4.463 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc2nc(C)ccc2c1 ZINC000187314553 823042072 /nfs/dbraw/zinc/04/20/72/823042072.db2.gz HFJLNEZZDNYXKS-JOCHJYFZSA-N 1 1 389.499 4.463 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570473551 823042957 /nfs/dbraw/zinc/04/29/57/823042957.db2.gz YCVOFULUMMXKML-FXAWDEMLSA-N 1 1 389.503 4.109 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC[N@H+]1C ZINC000175802663 823043859 /nfs/dbraw/zinc/04/38/59/823043859.db2.gz DGCAIROLAUZWSQ-OXJNMPFZSA-N 1 1 398.576 4.257 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c2ccccc2n1 ZINC000123799045 823541819 /nfs/dbraw/zinc/54/18/19/823541819.db2.gz SXFWVTRVTNLRDD-SFHVURJKSA-N 1 1 375.520 4.241 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)NCCOc2ccccc2-c2ccccc2)CC1 ZINC000060562899 823542524 /nfs/dbraw/zinc/54/25/24/823542524.db2.gz WSXYNFPZAICLCG-UHFFFAOYSA-N 1 1 395.547 4.248 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Cc2cc(F)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123817162 823543025 /nfs/dbraw/zinc/54/30/25/823543025.db2.gz RMTKSSAQLPHVQM-XCLFUZPHSA-N 1 1 396.840 4.109 20 0 GIADMO Cc1ccc(Br)cc1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000190156885 823543870 /nfs/dbraw/zinc/54/38/70/823543870.db2.gz IPEFJPWOHJDGPE-SFHVURJKSA-N 1 1 391.284 4.006 20 0 GIADMO COc1ccccc1C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCO1 ZINC000060594463 823546093 /nfs/dbraw/zinc/54/60/93/823546093.db2.gz XLHJIUGYZNDHMA-IBGZPJMESA-N 1 1 377.431 4.478 20 0 GIADMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000123857211 823546378 /nfs/dbraw/zinc/54/63/78/823546378.db2.gz IBZBQIWDVUNZQE-ZDUSSCGKSA-N 1 1 388.886 4.316 20 0 GIADMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2OC(F)F)C1 ZINC000123857211 823546382 /nfs/dbraw/zinc/54/63/82/823546382.db2.gz IBZBQIWDVUNZQE-ZDUSSCGKSA-N 1 1 388.886 4.316 20 0 GIADMO C[C@H](c1c(F)cccc1F)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000123869619 823547845 /nfs/dbraw/zinc/54/78/45/823547845.db2.gz GJFSVHCICOFESB-CYBMUJFWSA-N 1 1 377.410 4.451 20 0 GIADMO CCN(C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)C1CCCCC1 ZINC000190198545 823550072 /nfs/dbraw/zinc/55/00/72/823550072.db2.gz RPPUQEIOFCRRSM-KRWDZBQOSA-N 1 1 385.552 4.166 20 0 GIADMO COc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2Br)cc1 ZINC000411129089 823550581 /nfs/dbraw/zinc/55/05/81/823550581.db2.gz UPBYPSVHGQAGMR-AWEZNQCLSA-N 1 1 391.309 4.479 20 0 GIADMO Cc1nn(C)c2ncc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccccc3)cc12 ZINC000123961959 823555773 /nfs/dbraw/zinc/55/57/73/823555773.db2.gz MNWYURWGMJTRNB-IRLDBZIGSA-N 1 1 378.520 4.145 20 0 GIADMO CCSc1cc(Cl)ccc1C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000460984664 823555825 /nfs/dbraw/zinc/55/58/25/823555825.db2.gz VWLYHHOLQPLCQU-QGZVFWFLSA-N 1 1 392.952 4.493 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000123996063 823558559 /nfs/dbraw/zinc/55/85/59/823558559.db2.gz OCLUWQFTUOWRCF-GOTSBHOMSA-N 1 1 380.532 4.257 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000123995800 823558615 /nfs/dbraw/zinc/55/86/15/823558615.db2.gz OCLUWQFTUOWRCF-PKTZIBPZSA-N 1 1 380.532 4.257 20 0 GIADMO COc1cc(C[N@@H+](C)C[C@H](O)COc2ccc(SC)cc2)ccc1SC ZINC000411225266 823558669 /nfs/dbraw/zinc/55/86/69/823558669.db2.gz RUZCIWLZRIOHGV-INIZCTEOSA-N 1 1 393.574 4.011 20 0 GIADMO COc1ccc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c(C)c1 ZINC000461017884 823559834 /nfs/dbraw/zinc/55/98/34/823559834.db2.gz FCSVOMHFKLTUHV-UHFFFAOYSA-N 1 1 378.472 4.159 20 0 GIADMO COc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)c1 ZINC000461017884 823559837 /nfs/dbraw/zinc/55/98/37/823559837.db2.gz FCSVOMHFKLTUHV-UHFFFAOYSA-N 1 1 378.472 4.159 20 0 GIADMO CCN1CCN([C@H]2CC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248283 823560366 /nfs/dbraw/zinc/56/03/66/823560366.db2.gz ATHWVXUHVXUKAX-XZOQPEGZSA-N 1 1 383.967 4.141 20 0 GIADMO CCN1CCN([C@H]2CC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248283 823560368 /nfs/dbraw/zinc/56/03/68/823560368.db2.gz ATHWVXUHVXUKAX-XZOQPEGZSA-N 1 1 383.967 4.141 20 0 GIADMO CCCc1ncc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000461025081 823561212 /nfs/dbraw/zinc/56/12/12/823561212.db2.gz VEQAGEVFBHISFX-UHFFFAOYSA-N 1 1 383.517 4.251 20 0 GIADMO CCCc1ncc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000461025081 823561214 /nfs/dbraw/zinc/56/12/14/823561214.db2.gz VEQAGEVFBHISFX-UHFFFAOYSA-N 1 1 383.517 4.251 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)cc1F ZINC000060845501 823561669 /nfs/dbraw/zinc/56/16/69/823561669.db2.gz SJNXEGZIAOMQDP-CQSZACIVSA-N 1 1 388.266 4.013 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000190321230 823562501 /nfs/dbraw/zinc/56/25/01/823562501.db2.gz NBBMOXCPCWXSNP-CQSZACIVSA-N 1 1 396.441 4.350 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1cccc(-n2cccn2)c1 ZINC000190324157 823562802 /nfs/dbraw/zinc/56/28/02/823562802.db2.gz WTNZEMOENIJORA-OAHLLOKOSA-N 1 1 379.414 4.187 20 0 GIADMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000190326138 823563077 /nfs/dbraw/zinc/56/30/77/823563077.db2.gz HEYCUUPNMVSRDO-HNNXBMFYSA-N 1 1 393.441 4.495 20 0 GIADMO Fc1ccc(-n2ccc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)c(F)c1 ZINC000190327559 823563320 /nfs/dbraw/zinc/56/33/20/823563320.db2.gz GJIUVZGLUREVQJ-QFIPXVFZSA-N 1 1 397.425 4.163 20 0 GIADMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1CC ZINC000461039607 823563711 /nfs/dbraw/zinc/56/37/11/823563711.db2.gz XHUXKXIIWXNZMY-GUDVDZBRSA-N 1 1 399.362 4.056 20 0 GIADMO O=C(CC[N@@H+](C[C@H]1CCCO1)C1CCCC1)Nc1ccccc1Br ZINC000411316041 823564258 /nfs/dbraw/zinc/56/42/58/823564258.db2.gz VUDOCKNVBRDBFO-MRXNPFEDSA-N 1 1 395.341 4.201 20 0 GIADMO Cc1ccc(CNC(=O)c2nnc(C[N@@H+]3CCC[C@@H]3CC(C)(C)C)s2)cc1 ZINC000060877170 823564221 /nfs/dbraw/zinc/56/42/21/823564221.db2.gz DEPCGPNITIBYQM-QGZVFWFLSA-N 1 1 386.565 4.177 20 0 GIADMO Cc1ccc(CNC(=O)c2nnc(C[N@H+]3CCC[C@@H]3CC(C)(C)C)s2)cc1 ZINC000060877170 823564225 /nfs/dbraw/zinc/56/42/25/823564225.db2.gz DEPCGPNITIBYQM-QGZVFWFLSA-N 1 1 386.565 4.177 20 0 GIADMO Nc1nc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)nc2ccccc12 ZINC000411339644 823565340 /nfs/dbraw/zinc/56/53/40/823565340.db2.gz MOBCMWZYTGBBGR-UHFFFAOYSA-N 1 1 397.320 4.364 20 0 GIADMO COc1ccc(CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000060908872 823565712 /nfs/dbraw/zinc/56/57/12/823565712.db2.gz URFJKXCSHMKYBI-LJQANCHMSA-N 1 1 395.547 4.112 20 0 GIADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461050777 823565939 /nfs/dbraw/zinc/56/59/39/823565939.db2.gz UJUKSESQKMUDPA-OAHLLOKOSA-N 1 1 393.959 4.129 20 0 GIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc(C(=O)NC(C)C)cc3)c2C1 ZINC000124084288 823566192 /nfs/dbraw/zinc/56/61/92/823566192.db2.gz OQEGKDPBLWDLRN-UHFFFAOYSA-N 1 1 393.531 4.439 20 0 GIADMO CCC[N@@H+](C[C@@H]1CCCCO1)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411362742 823566538 /nfs/dbraw/zinc/56/65/38/823566538.db2.gz CCFHFIHBGLFNQE-CTNGQTDRSA-N 1 1 398.551 4.097 20 0 GIADMO Fc1c(F)c(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c(F)c1Br ZINC000411379138 823567632 /nfs/dbraw/zinc/56/76/32/823567632.db2.gz BGQKNVSAVHWKEW-QMMMGPOBSA-N 1 1 392.194 4.108 20 0 GIADMO CC(C)[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCOCC1 ZINC000411379129 823567700 /nfs/dbraw/zinc/56/77/00/823567700.db2.gz BFSLHTZUQAVQPR-JOCHJYFZSA-N 1 1 386.561 4.233 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000124102180 823567904 /nfs/dbraw/zinc/56/79/04/823567904.db2.gz LIDULVVCGFPRTL-UHFFFAOYSA-N 1 1 389.883 4.231 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C1CCC(CO)CC1 ZINC000411395060 823569610 /nfs/dbraw/zinc/56/96/10/823569610.db2.gz CDIRKYDNEOYVRA-UHFFFAOYSA-N 1 1 396.531 4.077 20 0 GIADMO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000411395631 823569745 /nfs/dbraw/zinc/56/97/45/823569745.db2.gz DBUSVTKRSKDDJK-GAJHUEQPSA-N 1 1 395.524 4.262 20 0 GIADMO C[C@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000411395631 823569747 /nfs/dbraw/zinc/56/97/47/823569747.db2.gz DBUSVTKRSKDDJK-GAJHUEQPSA-N 1 1 395.524 4.262 20 0 GIADMO Cc1cccc(C)c1NCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461076600 823571400 /nfs/dbraw/zinc/57/14/00/823571400.db2.gz PFZQIYIEQHACQB-RBBKRZOGSA-N 1 1 379.548 4.227 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000060996455 823571741 /nfs/dbraw/zinc/57/17/41/823571741.db2.gz OBJDEQFXBOLLKE-IYBDPMFKSA-N 1 1 387.911 4.271 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000060996455 823571744 /nfs/dbraw/zinc/57/17/44/823571744.db2.gz OBJDEQFXBOLLKE-IYBDPMFKSA-N 1 1 387.911 4.271 20 0 GIADMO COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000124146492 823571770 /nfs/dbraw/zinc/57/17/70/823571770.db2.gz GBECRIYIDPLKQL-QHCPKHFHSA-N 1 1 395.547 4.039 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000061014930 823572959 /nfs/dbraw/zinc/57/29/59/823572959.db2.gz JLMCYNWBYMVHHW-FQEVSTJZSA-N 1 1 386.902 4.366 20 0 GIADMO O=C(CC[N@@H+](Cc1ccncc1)C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000411425883 823572946 /nfs/dbraw/zinc/57/29/46/823572946.db2.gz YFZCRUYILSOJKW-UHFFFAOYSA-N 1 1 385.511 4.342 20 0 GIADMO C[N@@H+](CCCn1ccnc1)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000411425730 823572994 /nfs/dbraw/zinc/57/29/94/823572994.db2.gz ORYJRGODNFCSNA-UHFFFAOYSA-N 1 1 378.476 4.026 20 0 GIADMO C[C@H](c1ccncc1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411430955 823573347 /nfs/dbraw/zinc/57/33/47/823573347.db2.gz YYLRCAYVASYJOR-UONOGXRCSA-N 1 1 381.549 4.029 20 0 GIADMO c1ccc(-c2cccc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2)nc1 ZINC000124170432 823574309 /nfs/dbraw/zinc/57/43/09/823574309.db2.gz JAYLZCKMMMIVOF-OAQYLSRUSA-N 1 1 387.531 4.446 20 0 GIADMO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c(OCc2ccccc2)c1 ZINC000190444584 823575118 /nfs/dbraw/zinc/57/51/18/823575118.db2.gz WXMWZGLKBSNXME-IBGZPJMESA-N 1 1 397.519 4.080 20 0 GIADMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000190446268 823575433 /nfs/dbraw/zinc/57/54/33/823575433.db2.gz OLKPZOUNGWKOPZ-JTQLQIEISA-N 1 1 399.235 4.025 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)nc1 ZINC000411449656 823575832 /nfs/dbraw/zinc/57/58/32/823575832.db2.gz MKYKOKGNMDDNSJ-HNNXBMFYSA-N 1 1 384.476 4.049 20 0 GIADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(OC3CCOCC3)cc2)c1 ZINC000461097220 823576458 /nfs/dbraw/zinc/57/64/58/823576458.db2.gz DRLPXCPCSVVPHQ-UHFFFAOYSA-N 1 1 396.531 4.015 20 0 GIADMO C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000411459817 823577145 /nfs/dbraw/zinc/57/71/45/823577145.db2.gz ZJRCTSCLAFUQLL-GFCCVEGCSA-N 1 1 396.878 4.188 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000461100865 823577270 /nfs/dbraw/zinc/57/72/70/823577270.db2.gz BOWWFAKEPMKCIK-PZJWPPBQSA-N 1 1 395.572 4.174 20 0 GIADMO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ncc(C)c(OC)c1C ZINC000190463043 823577962 /nfs/dbraw/zinc/57/79/62/823577962.db2.gz XXXYHZFOMOKPLK-ZDUSSCGKSA-N 1 1 379.298 4.329 20 0 GIADMO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000411479270 823579625 /nfs/dbraw/zinc/57/96/25/823579625.db2.gz VOUUAVGTIOZVPS-SFHVURJKSA-N 1 1 379.522 4.349 20 0 GIADMO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000411490702 823581002 /nfs/dbraw/zinc/58/10/02/823581002.db2.gz TYJYPLIYLYZKCX-ZUOKHONESA-N 1 1 376.884 4.036 20 0 GIADMO Cc1ccn(C)c1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000190503609 823581722 /nfs/dbraw/zinc/58/17/22/823581722.db2.gz ZIUSZYFTMRAQQI-UHFFFAOYSA-N 1 1 380.319 4.035 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(Cl)cc1Br ZINC000124266446 823582330 /nfs/dbraw/zinc/58/23/30/823582330.db2.gz WYJGRXLTRPCIGL-CYBMUJFWSA-N 1 1 387.749 4.487 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)c2)no1 ZINC000124269107 823582587 /nfs/dbraw/zinc/58/25/87/823582587.db2.gz MLMIGNWFUOVJQR-GOSISDBHSA-N 1 1 394.450 4.035 20 0 GIADMO C[C@H](NCCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514427 823583174 /nfs/dbraw/zinc/58/31/74/823583174.db2.gz GBQQNKZWTJPOLB-RDJZCZTQSA-N 1 1 388.943 4.175 20 0 GIADMO C[C@H](NCCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514427 823583177 /nfs/dbraw/zinc/58/31/77/823583177.db2.gz GBQQNKZWTJPOLB-RDJZCZTQSA-N 1 1 388.943 4.175 20 0 GIADMO C[C@@H](NCCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514428 823583293 /nfs/dbraw/zinc/58/32/93/823583293.db2.gz GBQQNKZWTJPOLB-WBVHZDCISA-N 1 1 388.943 4.175 20 0 GIADMO C[C@@H](NCCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514428 823583296 /nfs/dbraw/zinc/58/32/96/823583296.db2.gz GBQQNKZWTJPOLB-WBVHZDCISA-N 1 1 388.943 4.175 20 0 GIADMO Fc1ccc(OC2CC[NH+](Cc3nc4cc(C(F)(F)F)ccc4o3)CC2)cn1 ZINC000190534278 823584030 /nfs/dbraw/zinc/58/40/30/823584030.db2.gz CFDQUAZGVPXAIH-UHFFFAOYSA-N 1 1 395.356 4.424 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000124297751 823585177 /nfs/dbraw/zinc/58/51/77/823585177.db2.gz ONLCNQHVCROETK-SJORKVTESA-N 1 1 380.602 4.398 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411532693 823585389 /nfs/dbraw/zinc/58/53/89/823585389.db2.gz ZOCATLSMYQNBHO-KDOFPFPSSA-N 1 1 388.309 4.256 20 0 GIADMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC(=O)N(C)c3ccccc3)n2)cc1 ZINC000411534226 823585774 /nfs/dbraw/zinc/58/57/74/823585774.db2.gz NVRLPVPJUFKNOC-INIZCTEOSA-N 1 1 378.476 4.003 20 0 GIADMO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1nc(-c2ccc(Br)cc2)no1 ZINC000411535423 823586026 /nfs/dbraw/zinc/58/60/26/823586026.db2.gz QFVHTPDIEZHXEX-RISCZKNCSA-N 1 1 380.286 4.107 20 0 GIADMO CSc1ccccc1NC(=O)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000411547337 823587384 /nfs/dbraw/zinc/58/73/84/823587384.db2.gz BZCRUXBCZVNLEX-ICSRJNTNSA-N 1 1 397.588 4.237 20 0 GIADMO COCC[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CCC[C@H]1C ZINC000411625275 823592188 /nfs/dbraw/zinc/59/21/88/823592188.db2.gz LCXCYKMKSXXJOV-HIFRSBDPSA-N 1 1 387.505 4.294 20 0 GIADMO O=C(CC[N@H+](Cc1ccc(F)cc1)C1CCOCC1)Nc1cc(F)cc(F)c1 ZINC000411630873 823592380 /nfs/dbraw/zinc/59/23/80/823592380.db2.gz KLPFETVDLOTJLD-UHFFFAOYSA-N 1 1 392.421 4.114 20 0 GIADMO CCC[C@@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000411635938 823592755 /nfs/dbraw/zinc/59/27/55/823592755.db2.gz DUVZYFCEERNBJA-NRFANRHFSA-N 1 1 383.517 4.191 20 0 GIADMO CCC[C@@]1(CO)CCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000411635938 823592758 /nfs/dbraw/zinc/59/27/58/823592758.db2.gz DUVZYFCEERNBJA-NRFANRHFSA-N 1 1 383.517 4.191 20 0 GIADMO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000061352338 823593094 /nfs/dbraw/zinc/59/30/94/823593094.db2.gz NWSBRRLXWYJPCK-RTBURBONSA-N 1 1 383.536 4.332 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCOc1ccc(Cl)cc1 ZINC000061380625 823594175 /nfs/dbraw/zinc/59/41/75/823594175.db2.gz MIAJIYDATOGSMB-UHFFFAOYSA-N 1 1 389.927 4.058 20 0 GIADMO CCCCOc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000190644418 823594631 /nfs/dbraw/zinc/59/46/31/823594631.db2.gz ZZMNGHAMZQEJMV-QGZVFWFLSA-N 1 1 381.948 4.002 20 0 GIADMO COC(=O)c1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000411658069 823595163 /nfs/dbraw/zinc/59/51/63/823595163.db2.gz AZLIXAAMGUPOQJ-ZDUSSCGKSA-N 1 1 393.814 4.030 20 0 GIADMO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000411662526 823595455 /nfs/dbraw/zinc/59/54/55/823595455.db2.gz OFMXMKOQYKRPHE-INIZCTEOSA-N 1 1 385.266 4.093 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2)CC1 ZINC000411661838 823595493 /nfs/dbraw/zinc/59/54/93/823595493.db2.gz DZWNCOIUBSAANG-UHFFFAOYSA-N 1 1 389.902 4.409 20 0 GIADMO COc1ccnc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c1OC ZINC000190656243 823595837 /nfs/dbraw/zinc/59/58/37/823595837.db2.gz SSAWGFLRRPSTMX-WBVHZDCISA-N 1 1 376.522 4.029 20 0 GIADMO Cc1ccncc1C[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411669931 823596201 /nfs/dbraw/zinc/59/62/01/823596201.db2.gz REHFDSPJZXRGKT-JOCHJYFZSA-N 1 1 379.529 4.179 20 0 GIADMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000411678962 823596528 /nfs/dbraw/zinc/59/65/28/823596528.db2.gz MJBLJPPSNVAXKQ-QGZVFWFLSA-N 1 1 378.879 4.251 20 0 GIADMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000411678962 823596533 /nfs/dbraw/zinc/59/65/33/823596533.db2.gz MJBLJPPSNVAXKQ-QGZVFWFLSA-N 1 1 378.879 4.251 20 0 GIADMO C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)c1nc(C(F)(F)F)cs1 ZINC000411687100 823597006 /nfs/dbraw/zinc/59/70/06/823597006.db2.gz MAOCKFBGNIOWQZ-VIFPVBQESA-N 1 1 377.819 4.495 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CC[C@@H](C(F)(F)F)C(C)(C)C3)CC2)[nH+]c1 ZINC000190673423 823597357 /nfs/dbraw/zinc/59/73/57/823597357.db2.gz INJATQRTVJOKQG-MRXNPFEDSA-N 1 1 383.458 4.043 20 0 GIADMO CC(=O)Oc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000124452744 823597965 /nfs/dbraw/zinc/59/79/65/823597965.db2.gz UXECCXGRFDVLSE-JOCHJYFZSA-N 1 1 381.497 4.409 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000190684011 823598237 /nfs/dbraw/zinc/59/82/37/823598237.db2.gz ZGDBQIASRPZVNG-LEWJYISDSA-N 1 1 395.547 4.308 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cc(Br)ccc1OC ZINC000461212255 823599625 /nfs/dbraw/zinc/59/96/25/823599625.db2.gz YFSMXQXCXCZBSS-UHFFFAOYSA-N 1 1 379.298 4.434 20 0 GIADMO CSCC[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1nnc2ccccn21 ZINC000190708966 823600734 /nfs/dbraw/zinc/60/07/34/823600734.db2.gz LKUTUMQDNUNBLK-LJQANCHMSA-N 1 1 382.533 4.102 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cccc(Br)c1OC ZINC000461222656 823600944 /nfs/dbraw/zinc/60/09/44/823600944.db2.gz PBWLXGZHUXMJRF-UHFFFAOYSA-N 1 1 379.298 4.434 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCc4c(cccc4C(C)C)C3)CC2)[nH+]c1 ZINC000190711781 823601106 /nfs/dbraw/zinc/60/11/06/823601106.db2.gz OGDKHJUGFSGXDJ-UHFFFAOYSA-N 1 1 377.532 4.315 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000411741276 823601327 /nfs/dbraw/zinc/60/13/27/823601327.db2.gz ZKXYGTDTLAJGQM-RDJZCZTQSA-N 1 1 386.458 4.000 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cc(Br)cc2c1OCC2 ZINC000461227929 823601649 /nfs/dbraw/zinc/60/16/49/823601649.db2.gz UMXMPCRVZCVPON-UHFFFAOYSA-N 1 1 391.309 4.360 20 0 GIADMO CCn1c2nnc(C[N@H+](C(C)C)[C@@H](C)c3ccccc3)n2c2ccccc2c1=O ZINC000411742763 823601540 /nfs/dbraw/zinc/60/15/40/823601540.db2.gz FOKSDQPXKLNXFW-KRWDZBQOSA-N 1 1 389.503 4.036 20 0 GIADMO CCn1c2nnc(C[N@@H+](C(C)C)[C@@H](C)c3ccccc3)n2c2ccccc2c1=O ZINC000411742763 823601542 /nfs/dbraw/zinc/60/15/42/823601542.db2.gz FOKSDQPXKLNXFW-KRWDZBQOSA-N 1 1 389.503 4.036 20 0 GIADMO C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[C@@H](CO)CC(C)(C)C ZINC000411797057 823605782 /nfs/dbraw/zinc/60/57/82/823605782.db2.gz SUWQFASTGRMAMX-OAHLLOKOSA-N 1 1 385.533 4.293 20 0 GIADMO C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[C@@H](CO)CC(C)(C)C ZINC000411797057 823605783 /nfs/dbraw/zinc/60/57/83/823605783.db2.gz SUWQFASTGRMAMX-OAHLLOKOSA-N 1 1 385.533 4.293 20 0 GIADMO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000461255892 823605968 /nfs/dbraw/zinc/60/59/68/823605968.db2.gz FIOFRWFTOLGSTR-HXUWFJFHSA-N 1 1 392.543 4.481 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000061623887 823606630 /nfs/dbraw/zinc/60/66/30/823606630.db2.gz QVASLZGYSJFJGO-UHFFFAOYSA-N 1 1 377.341 4.269 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000461259686 823606953 /nfs/dbraw/zinc/60/69/53/823606953.db2.gz AZFBFEIEDFGICV-MRXNPFEDSA-N 1 1 382.932 4.084 20 0 GIADMO Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc12 ZINC000461260428 823607125 /nfs/dbraw/zinc/60/71/25/823607125.db2.gz VJDMZHZYEYVEEJ-QGZVFWFLSA-N 1 1 396.560 4.342 20 0 GIADMO C[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000190776107 823607293 /nfs/dbraw/zinc/60/72/93/823607293.db2.gz MEGNHDKMXMCCLO-INIZCTEOSA-N 1 1 375.476 4.007 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1OCC ZINC000461263209 823607959 /nfs/dbraw/zinc/60/79/59/823607959.db2.gz LYMJWTLJIFHAOG-QGZVFWFLSA-N 1 1 396.959 4.474 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000461263897 823608316 /nfs/dbraw/zinc/60/83/16/823608316.db2.gz KKASTRGBPYBFJT-OAQYLSRUSA-N 1 1 384.495 4.351 20 0 GIADMO C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461264129 823608542 /nfs/dbraw/zinc/60/85/42/823608542.db2.gz NKWRNHVCBXIMCX-WIYYLYMNSA-N 1 1 395.547 4.177 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000461266808 823609036 /nfs/dbraw/zinc/60/90/36/823609036.db2.gz XGPPIVXVZRKGLB-CQSZACIVSA-N 1 1 395.334 4.126 20 0 GIADMO CCc1ccc(-c2nc(CC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cs2)cc1 ZINC000461269001 823609306 /nfs/dbraw/zinc/60/93/06/823609306.db2.gz YAOSNRXGSFATKG-FQEVSTJZSA-N 1 1 385.577 4.248 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1F ZINC000124597887 823609783 /nfs/dbraw/zinc/60/97/83/823609783.db2.gz DBPUWYTWSKYCFT-KURKYZTESA-N 1 1 386.511 4.294 20 0 GIADMO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061735343 823610283 /nfs/dbraw/zinc/61/02/83/823610283.db2.gz IFGWXISIZSNZBM-OAQYLSRUSA-N 1 1 385.596 4.012 20 0 GIADMO O=C(C[NH+]1CCC(c2ccncn2)CC1)N1c2ccccc2CCc2ccccc21 ZINC000411834655 823610369 /nfs/dbraw/zinc/61/03/69/823610369.db2.gz PMNAKPZRSBLQRU-UHFFFAOYSA-N 1 1 398.510 4.120 20 0 GIADMO CCc1c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cnn1-c1cccc(Cl)c1 ZINC000461273351 823610500 /nfs/dbraw/zinc/61/05/00/823610500.db2.gz SFEIAFYYJAWGSP-QGZVFWFLSA-N 1 1 388.943 4.035 20 0 GIADMO COC(=O)c1cccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000124609117 823610791 /nfs/dbraw/zinc/61/07/91/823610791.db2.gz CJHYUIUDZIGVGX-OAQYLSRUSA-N 1 1 392.430 4.082 20 0 GIADMO CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000411862803 823611288 /nfs/dbraw/zinc/61/12/88/823611288.db2.gz BQWIZRVYVWVDPW-UHFFFAOYSA-N 1 1 386.517 4.380 20 0 GIADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCSC2(CCC2)CC1 ZINC000411865882 823611307 /nfs/dbraw/zinc/61/13/07/823611307.db2.gz GKMRARZLCHMUIS-OAHLLOKOSA-N 1 1 389.590 4.005 20 0 GIADMO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(CN3C[C@@H](C)O[C@H](C)C3)cc1)CCC2 ZINC000124615085 823611313 /nfs/dbraw/zinc/61/13/13/823611313.db2.gz BZCFOZBEYUYDJB-MBOZVWFJSA-N 1 1 399.604 4.482 20 0 GIADMO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124614773 823611326 /nfs/dbraw/zinc/61/13/26/823611326.db2.gz BZCFOZBEYUYDJB-FUHIMQAGSA-N 1 1 399.604 4.482 20 0 GIADMO COc1ccc(-c2nc(C[N@H+](C)CCOc3ccccc3)cs2)c(OC)c1 ZINC000061759058 823611882 /nfs/dbraw/zinc/61/18/82/823611882.db2.gz LQZBLSHVQHVLAZ-UHFFFAOYSA-N 1 1 384.501 4.338 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+](C)CCOc3ccccc3)cs2)c(OC)c1 ZINC000061759058 823611885 /nfs/dbraw/zinc/61/18/85/823611885.db2.gz LQZBLSHVQHVLAZ-UHFFFAOYSA-N 1 1 384.501 4.338 20 0 GIADMO COCCN(C)c1ccc(CNc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000190820196 823613023 /nfs/dbraw/zinc/61/30/23/823613023.db2.gz AMDPNDBEKNUQSR-LJQANCHMSA-N 1 1 382.552 4.008 20 0 GIADMO Cc1ccc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc12 ZINC000411894184 823613670 /nfs/dbraw/zinc/61/36/70/823613670.db2.gz PSOQKFIRELLDSJ-KDURUIRLSA-N 1 1 380.532 4.110 20 0 GIADMO CCCOc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cs2)cc1 ZINC000124645924 823613786 /nfs/dbraw/zinc/61/37/86/823613786.db2.gz SQRILJXJZNJMJK-NVXWUHKLSA-N 1 1 387.549 4.154 20 0 GIADMO O=C(NCc1cc2ccccc2[nH]1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788889 823614326 /nfs/dbraw/zinc/61/43/26/823614326.db2.gz NEMQHUJTEQXXAN-UHFFFAOYSA-N 1 1 380.517 4.038 20 0 GIADMO CCCCOc1ccc(-c2nnc(C[N@@H+]3C[C@@H](O)C[C@H]3c3ccccc3)o2)cc1 ZINC000411935367 823614971 /nfs/dbraw/zinc/61/49/71/823614971.db2.gz HUCOXGTZIGFCAC-FPOVZHCZSA-N 1 1 393.487 4.223 20 0 GIADMO CCCCOc1ccc(-c2nnc(C[N@H+]3C[C@@H](O)C[C@H]3c3ccccc3)o2)cc1 ZINC000411935367 823614973 /nfs/dbraw/zinc/61/49/73/823614973.db2.gz HUCOXGTZIGFCAC-FPOVZHCZSA-N 1 1 393.487 4.223 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)[nH]c2c1 ZINC000061794163 823615104 /nfs/dbraw/zinc/61/51/04/823615104.db2.gz ZGAPVDDCINFWPR-GOSISDBHSA-N 1 1 383.540 4.027 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)c(OC)c1 ZINC000411940857 823615395 /nfs/dbraw/zinc/61/53/95/823615395.db2.gz LJEADRIYWANRSA-FXAWDEMLSA-N 1 1 396.512 4.135 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cs2)c(OC)c1 ZINC000411940857 823615397 /nfs/dbraw/zinc/61/53/97/823615397.db2.gz LJEADRIYWANRSA-FXAWDEMLSA-N 1 1 396.512 4.135 20 0 GIADMO CCc1cccc(CC)c1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190844243 823615545 /nfs/dbraw/zinc/61/55/45/823615545.db2.gz YMEOBBMGDLMHRJ-QFIPXVFZSA-N 1 1 395.547 4.224 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)cc1OC ZINC000411946603 823615919 /nfs/dbraw/zinc/61/59/19/823615919.db2.gz OKZZTRANKBRBMN-RTBURBONSA-N 1 1 396.512 4.135 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)cc1OC ZINC000411946603 823615921 /nfs/dbraw/zinc/61/59/21/823615921.db2.gz OKZZTRANKBRBMN-RTBURBONSA-N 1 1 396.512 4.135 20 0 GIADMO Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000411946641 823615942 /nfs/dbraw/zinc/61/59/42/823615942.db2.gz OMXJELWZVGJWMB-LEWJYISDSA-N 1 1 379.891 4.413 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC[N@H+]1C ZINC000124681299 823616807 /nfs/dbraw/zinc/61/68/07/823616807.db2.gz JWSXECJOKHABIV-YLJYHZDGSA-N 1 1 393.506 4.383 20 0 GIADMO CC(C)OC(=O)Cc1nc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)cs1 ZINC000411984921 823618172 /nfs/dbraw/zinc/61/81/72/823618172.db2.gz NLLWGABGDHDEDI-LJQANCHMSA-N 1 1 384.545 4.407 20 0 GIADMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411989020 823618368 /nfs/dbraw/zinc/61/83/68/823618368.db2.gz OSRNTFZYBYLFOC-DVECYGJZSA-N 1 1 390.527 4.208 20 0 GIADMO Cc1csc(N2CCC([NH2+]C3[C@@H](C)CN(Cc4ccccc4)C[C@@H]3C)CC2)n1 ZINC000124696945 823618417 /nfs/dbraw/zinc/61/84/17/823618417.db2.gz UOTNBNMPAIHEQN-ROUUACIJSA-N 1 1 398.620 4.167 20 0 GIADMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411989020 823618370 /nfs/dbraw/zinc/61/83/70/823618370.db2.gz OSRNTFZYBYLFOC-DVECYGJZSA-N 1 1 390.527 4.208 20 0 GIADMO O=C1[C@@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCN1c1ccccc1 ZINC000411994857 823619098 /nfs/dbraw/zinc/61/90/98/823619098.db2.gz BHNCTBUPSLJBPG-VXKWHMMOSA-N 1 1 376.500 4.036 20 0 GIADMO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000190882789 823619299 /nfs/dbraw/zinc/61/92/99/823619299.db2.gz MTRNRSHZOBKJCK-NRFANRHFSA-N 1 1 382.483 4.254 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1csc2ccccc12 ZINC000061960256 823620031 /nfs/dbraw/zinc/62/00/31/823620031.db2.gz LUOZGXFUNCVLOT-UHFFFAOYSA-N 1 1 379.529 4.149 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1F ZINC000412001288 823620368 /nfs/dbraw/zinc/62/03/68/823620368.db2.gz PTRILDXTZYCPRU-UTKZUKDTSA-N 1 1 382.479 4.315 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1F ZINC000412001288 823620370 /nfs/dbraw/zinc/62/03/70/823620370.db2.gz PTRILDXTZYCPRU-UTKZUKDTSA-N 1 1 382.479 4.315 20 0 GIADMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002378 823620667 /nfs/dbraw/zinc/62/06/67/823620667.db2.gz UCMCVNFDSICIDG-MZKRTTBSSA-N 1 1 392.543 4.414 20 0 GIADMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002378 823620668 /nfs/dbraw/zinc/62/06/68/823620668.db2.gz UCMCVNFDSICIDG-MZKRTTBSSA-N 1 1 392.543 4.414 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N[C@@H](c1ccccc1)C1CC1 ZINC000412002939 823620844 /nfs/dbraw/zinc/62/08/44/823620844.db2.gz VOHVSFMDIVOEOL-ZEQRLZLVSA-N 1 1 390.527 4.108 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N[C@@H](c1ccccc1)C1CC1 ZINC000412002939 823620845 /nfs/dbraw/zinc/62/08/45/823620845.db2.gz VOHVSFMDIVOEOL-ZEQRLZLVSA-N 1 1 390.527 4.108 20 0 GIADMO O=C1NC2(CC[NH+](Cc3ccccc3Cl)CC2)Nc2cc(Cl)ccc21 ZINC000124722449 823620885 /nfs/dbraw/zinc/62/08/85/823620885.db2.gz KKQSCTVTZLGHJX-UHFFFAOYSA-N 1 1 376.287 4.141 20 0 GIADMO CCC[C@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000412003510 823621074 /nfs/dbraw/zinc/62/10/74/823621074.db2.gz XGALPQXLXHBDAJ-UPVQGACJSA-N 1 1 392.543 4.498 20 0 GIADMO CCC[C@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000412003510 823621076 /nfs/dbraw/zinc/62/10/76/823621076.db2.gz XGALPQXLXHBDAJ-UPVQGACJSA-N 1 1 392.543 4.498 20 0 GIADMO OCC1([C@H]([NH2+]Cc2coc(-c3cccc(F)c3)n2)c2ccccc2)CCOCC1 ZINC000412006083 823621510 /nfs/dbraw/zinc/62/15/10/823621510.db2.gz HEZBBJXJLQGFOH-OAQYLSRUSA-N 1 1 396.462 4.101 20 0 GIADMO Cc1ccc(-c2cnc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCOCC3)o2)cc1 ZINC000412006215 823621567 /nfs/dbraw/zinc/62/15/67/823621567.db2.gz CONMTLVUEVDXAY-QHCPKHFHSA-N 1 1 392.499 4.270 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000412009065 823622056 /nfs/dbraw/zinc/62/20/56/823622056.db2.gz GCNAHXREOVNSAZ-OAQYLSRUSA-N 1 1 384.564 4.125 20 0 GIADMO CC(C)(C)CN1CCC[C@@H]([N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000461357284 823622133 /nfs/dbraw/zinc/62/21/33/823622133.db2.gz BUWYDJKHUWTVFH-CRAIPNDOSA-N 1 1 387.499 4.183 20 0 GIADMO CC(C)(CNC(=O)NCc1ccc(Cl)s1)[N@H+]1CCc2ccccc2C1 ZINC000062029573 823622242 /nfs/dbraw/zinc/62/22/42/823622242.db2.gz ZXNBPLKLFSPPLL-UHFFFAOYSA-N 1 1 377.941 4.038 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000412051997 823624262 /nfs/dbraw/zinc/62/42/62/823624262.db2.gz BLTZQTGBDUIVFU-HSZRJFAPSA-N 1 1 392.543 4.270 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000412059576 823625069 /nfs/dbraw/zinc/62/50/69/823625069.db2.gz XQDBFDVGHYZIIU-DGHUFFFNSA-N 1 1 391.353 4.329 20 0 GIADMO CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000062230993 823625292 /nfs/dbraw/zinc/62/52/92/823625292.db2.gz JGXZEKIYQGMWOC-HXUWFJFHSA-N 1 1 375.516 4.303 20 0 GIADMO CCOc1ccc(SCC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062231233 823625304 /nfs/dbraw/zinc/62/53/04/823625304.db2.gz DWNWZKKKIGWCLQ-HXUWFJFHSA-N 1 1 398.572 4.206 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c2c(nc3ccccc31)CCC2 ZINC000062230727 823625336 /nfs/dbraw/zinc/62/53/36/823625336.db2.gz CAJLXVSGZIEXHQ-HXUWFJFHSA-N 1 1 399.538 4.366 20 0 GIADMO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000412075242 823625845 /nfs/dbraw/zinc/62/58/45/823625845.db2.gz MHRGIGSMOATQIR-ZFWWWQNUSA-N 1 1 394.924 4.202 20 0 GIADMO COC(=O)[C@@H]1CSCC[N@H+]([C@@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000412075242 823625847 /nfs/dbraw/zinc/62/58/47/823625847.db2.gz 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CCNc1cc(C)ccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000191367927 823677297 /nfs/dbraw/zinc/67/72/97/823677297.db2.gz GMDMHUKPDRNLPM-QZTJIDSGSA-N 1 1 381.520 4.288 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000063530586 823677788 /nfs/dbraw/zinc/67/77/88/823677788.db2.gz OSIMWYKLJSKYMU-AWEZNQCLSA-N 1 1 385.558 4.485 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000063551535 823678997 /nfs/dbraw/zinc/67/89/97/823678997.db2.gz JTOWJIZMSSRANS-NRFANRHFSA-N 1 1 380.536 4.472 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cn2ncn(C(C)(C)C)c2=S)CC1 ZINC000125478189 823679409 /nfs/dbraw/zinc/67/94/09/823679409.db2.gz FDNFLIPVMZRNOV-QGZVFWFLSA-N 1 1 379.618 4.103 20 0 GIADMO C[C@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000125482185 823679676 /nfs/dbraw/zinc/67/96/76/823679676.db2.gz MUNHFTJYUCMZGN-CQSZACIVSA-N 1 1 376.422 4.193 20 0 GIADMO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@H+](C(C)C)C1CCOCC1)c1ccccc1 ZINC000125503517 823681233 /nfs/dbraw/zinc/68/12/33/823681233.db2.gz JAMRDYLAFLGECQ-ZCYQVOJMSA-N 1 1 397.559 4.351 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C[C@@H](c2ccccc2)O1 ZINC000063587867 823681503 /nfs/dbraw/zinc/68/15/03/823681503.db2.gz RDJFFTQAXCREBE-MBSDFSHPSA-N 1 1 390.483 4.172 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C[C@@H](c2ccccc2)O1 ZINC000063587867 823681504 /nfs/dbraw/zinc/68/15/04/823681504.db2.gz RDJFFTQAXCREBE-MBSDFSHPSA-N 1 1 390.483 4.172 20 0 GIADMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cn1 ZINC000191420474 823683271 /nfs/dbraw/zinc/68/32/71/823683271.db2.gz AHXLOIZKOIFZNT-AWEZNQCLSA-N 1 1 384.471 4.393 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)cn1 ZINC000063615828 823683289 /nfs/dbraw/zinc/68/32/89/823683289.db2.gz WSOKDJIMMYRFOG-OAQYLSRUSA-N 1 1 389.503 4.239 20 0 GIADMO CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3cnn(C(C)(C)C)c3C)cc2)CC1 ZINC000191424021 823683920 /nfs/dbraw/zinc/68/39/20/823683920.db2.gz GKIHPGMISUHDAD-SFHVURJKSA-N 1 1 383.584 4.257 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000461708627 823685400 /nfs/dbraw/zinc/68/54/00/823685400.db2.gz OQMCSKFEFSHMAZ-DYESRHJHSA-N 1 1 397.567 4.174 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)OC)cc2)cc1)C(C)C ZINC000412821195 823685554 /nfs/dbraw/zinc/68/55/54/823685554.db2.gz ZLWSZGBGRZBTTP-QGZVFWFLSA-N 1 1 382.504 4.446 20 0 GIADMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125567539 823686095 /nfs/dbraw/zinc/68/60/95/823686095.db2.gz MIVLBDNRDOIIDI-OAHLLOKOSA-N 1 1 396.478 4.429 20 0 GIADMO CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[C@@H](C)c1cccc(OC)c1 ZINC000461714258 823686266 /nfs/dbraw/zinc/68/62/66/823686266.db2.gz HWUSMZATRDQDBU-MOPGFXCFSA-N 1 1 383.536 4.308 20 0 GIADMO O[C@H](CNC1CC[NH+](C2CCCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000125572919 823686440 /nfs/dbraw/zinc/68/64/40/823686440.db2.gz YIPIHUJZVUDDDK-LJQANCHMSA-N 1 1 386.458 4.005 20 0 GIADMO FC(F)(F)COCc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000191463630 823687896 /nfs/dbraw/zinc/68/78/96/823687896.db2.gz URVPPLHWTGKIOQ-UHFFFAOYSA-N 1 1 375.394 4.241 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000191473135 823689015 /nfs/dbraw/zinc/68/90/15/823689015.db2.gz OBEBPEVYRFSXIT-INIZCTEOSA-N 1 1 376.932 4.147 20 0 GIADMO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1NC(=O)c1ccccc1 ZINC000063693341 823689840 /nfs/dbraw/zinc/68/98/40/823689840.db2.gz YRCOXOVCVUCIJH-LJQANCHMSA-N 1 1 393.531 4.098 20 0 GIADMO CC(C)(C)OC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000412897391 823689880 /nfs/dbraw/zinc/68/98/80/823689880.db2.gz JRWOVHFXQACFHE-RTBURBONSA-N 1 1 392.584 4.002 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000063706115 823690364 /nfs/dbraw/zinc/69/03/64/823690364.db2.gz MHFNSSRNLOTZMA-QWHCGFSZSA-N 1 1 375.365 4.321 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000191492469 823690757 /nfs/dbraw/zinc/69/07/57/823690757.db2.gz BBKVKSIBLRMBFG-SFHVURJKSA-N 1 1 378.520 4.338 20 0 GIADMO Cc1ccc(CC[N@H+](CC(=O)N2CCc3sccc3C2)Cc2ccco2)cc1 ZINC000461747058 823691145 /nfs/dbraw/zinc/69/11/45/823691145.db2.gz HBAFHFSNNOIYBJ-UHFFFAOYSA-N 1 1 394.540 4.279 20 0 GIADMO Cc1ccc(CC[N@@H+](CC(=O)N2CCc3sccc3C2)Cc2ccco2)cc1 ZINC000461747058 823691148 /nfs/dbraw/zinc/69/11/48/823691148.db2.gz HBAFHFSNNOIYBJ-UHFFFAOYSA-N 1 1 394.540 4.279 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063725217 823691995 /nfs/dbraw/zinc/69/19/95/823691995.db2.gz QHUSMIBFUDRQIX-UHFFFAOYSA-N 1 1 393.890 4.389 20 0 GIADMO CCC[N@@H+](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000063761928 823693980 /nfs/dbraw/zinc/69/39/80/823693980.db2.gz DVUTUOFQJBNMSL-UHFFFAOYSA-N 1 1 393.409 4.238 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccnc1SC(F)(F)F ZINC000063770974 823694548 /nfs/dbraw/zinc/69/45/48/823694548.db2.gz YTLCLFMJDZRDBH-UHFFFAOYSA-N 1 1 375.460 4.030 20 0 GIADMO Cc1ccc(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)c(-n2cc(Cl)cn2)n1 ZINC000191530295 823696174 /nfs/dbraw/zinc/69/61/74/823696174.db2.gz KAAHCRXVQUXMND-CYBMUJFWSA-N 1 1 387.940 4.415 20 0 GIADMO CCCCn1c(SC[C@@H]2CCCC[N@H+]2C(C)C)nnc1[C@H](CC)N(C)C ZINC000412979825 823696577 /nfs/dbraw/zinc/69/65/77/823696577.db2.gz DCFUZHJYTNHQBM-ROUUACIJSA-N 1 1 381.634 4.446 20 0 GIADMO c1ccc(-c2nnc(SCC[N@H+]3CCCOCC3)nc2-c2ccccc2)cc1 ZINC000412982477 823697087 /nfs/dbraw/zinc/69/70/87/823697087.db2.gz YRYPPCBZHBUOJW-UHFFFAOYSA-N 1 1 392.528 4.020 20 0 GIADMO O=C(NCc1cccc2ccccc21)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000063797377 823697468 /nfs/dbraw/zinc/69/74/68/823697468.db2.gz SUXJJOCUUZGXOC-UHFFFAOYSA-N 1 1 391.490 4.396 20 0 GIADMO O=C(NCc1cccc2ccccc21)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000063797377 823697472 /nfs/dbraw/zinc/69/74/72/823697472.db2.gz SUXJJOCUUZGXOC-UHFFFAOYSA-N 1 1 391.490 4.396 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000461801413 823697519 /nfs/dbraw/zinc/69/75/19/823697519.db2.gz FAAQVOHAEUBAGO-KSSFIOAISA-N 1 1 391.947 4.183 20 0 GIADMO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000461801413 823697522 /nfs/dbraw/zinc/69/75/22/823697522.db2.gz FAAQVOHAEUBAGO-KSSFIOAISA-N 1 1 391.947 4.183 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000461801413 823697525 /nfs/dbraw/zinc/69/75/25/823697525.db2.gz FAAQVOHAEUBAGO-KSSFIOAISA-N 1 1 391.947 4.183 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000063813179 823699093 /nfs/dbraw/zinc/69/90/93/823699093.db2.gz HPWLVEQZSGNYHB-FGTMMUONSA-N 1 1 383.561 4.337 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCc2ccccc2Cl)C1 ZINC000063834436 823700449 /nfs/dbraw/zinc/70/04/49/823700449.db2.gz MYJIOENKKXBNGL-KRWDZBQOSA-N 1 1 386.923 4.379 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125729582 823700973 /nfs/dbraw/zinc/70/09/73/823700973.db2.gz NYNVTJJSZLMJOI-LJQANCHMSA-N 1 1 396.531 4.136 20 0 GIADMO C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1nc(C(C)(C)C)no1 ZINC000191574519 823702548 /nfs/dbraw/zinc/70/25/48/823702548.db2.gz ZQBRXKHYBLRGOH-ZDUSSCGKSA-N 1 1 394.922 4.475 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000063865888 823703789 /nfs/dbraw/zinc/70/37/89/823703789.db2.gz XMVZEIXXVHRASQ-QGZVFWFLSA-N 1 1 399.583 4.080 20 0 GIADMO Cc1cccc([C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c2ccccn2)c1 ZINC000125755493 823704679 /nfs/dbraw/zinc/70/46/79/823704679.db2.gz BIAYPHZJYYXXTN-NZQKXSOJSA-N 1 1 394.563 4.291 20 0 GIADMO COc1cccc(C[N@@H+](C)CCc2ccncc2)c1OCc1ccccc1F ZINC000574341098 823705092 /nfs/dbraw/zinc/70/50/92/823705092.db2.gz NAGSWBBBUOCKLE-UHFFFAOYSA-N 1 1 380.463 4.483 20 0 GIADMO Cc1nc(CC2CC2)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000191588642 823705280 /nfs/dbraw/zinc/70/52/80/823705280.db2.gz PNMHEWCOUBSVAD-IHWFROFDSA-N 1 1 395.572 4.329 20 0 GIADMO COCC1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000413092581 823705646 /nfs/dbraw/zinc/70/56/46/823705646.db2.gz GPIDOKWFMNCRRU-PGFLUOATSA-N 1 1 387.568 4.065 20 0 GIADMO O=C(C[C@@H]1CCC[N@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350116 823706503 /nfs/dbraw/zinc/70/65/03/823706503.db2.gz ODONECXTJIPVRG-LEWJYISDSA-N 1 1 398.572 4.076 20 0 GIADMO O=C(C[C@@H]1CCCN1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350116 823706506 /nfs/dbraw/zinc/70/65/06/823706506.db2.gz ODONECXTJIPVRG-LEWJYISDSA-N 1 1 398.572 4.076 20 0 GIADMO O=C(C[C@@H]1CCCN1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350116 823706510 /nfs/dbraw/zinc/70/65/10/823706510.db2.gz ODONECXTJIPVRG-LEWJYISDSA-N 1 1 398.572 4.076 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1c(F)cccc1N1CCCC1 ZINC000574365943 823710449 /nfs/dbraw/zinc/71/04/49/823710449.db2.gz LQAQTGYNWRGEIP-NRFANRHFSA-N 1 1 396.554 4.307 20 0 GIADMO C[C@](Cc1ccccc1)(NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000413127390 823711726 /nfs/dbraw/zinc/71/17/26/823711726.db2.gz VRRBPJCWUPXQNZ-CQOQZXRMSA-N 1 1 377.532 4.071 20 0 GIADMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1c[nH]nc1-c1cccnc1 ZINC000191615048 823713302 /nfs/dbraw/zinc/71/33/02/823713302.db2.gz QWSBKUVLRJLBTM-UHFFFAOYSA-N 1 1 376.382 4.001 20 0 GIADMO CCCn1nc(C)c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1C ZINC000163480900 823714295 /nfs/dbraw/zinc/71/42/95/823714295.db2.gz JEFXCBGGIFPUDS-QGZVFWFLSA-N 1 1 382.552 4.214 20 0 GIADMO CC(C)C[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1cccs1 ZINC000163527206 823718365 /nfs/dbraw/zinc/71/83/65/823718365.db2.gz HCLHLUTZDBYJOB-SFHVURJKSA-N 1 1 379.614 4.052 20 0 GIADMO CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000125821252 823720037 /nfs/dbraw/zinc/72/00/37/823720037.db2.gz HKYVIRKKQXQUKN-UYAOXDASSA-N 1 1 396.535 4.078 20 0 GIADMO COc1ccc(-c2cnc(C[N@@H+](C[C@H](C)c3ccccc3)[C@@H](C)CO)o2)cc1 ZINC000574423907 823725580 /nfs/dbraw/zinc/72/55/80/823725580.db2.gz YDNDLLYPASJCHE-ROUUACIJSA-N 1 1 380.488 4.337 20 0 GIADMO CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)C)cc2)CC1 ZINC000461867887 823729121 /nfs/dbraw/zinc/72/91/21/823729121.db2.gz SGFDTVIZADFIDQ-QFIPXVFZSA-N 1 1 397.538 4.090 20 0 GIADMO Cc1cc(N2CCC(NC(=O)Nc3ccccc3CCC(C)C)CC2)nc(C)[nH+]1 ZINC000574437396 823729486 /nfs/dbraw/zinc/72/94/86/823729486.db2.gz RQQDXPVJONVPSS-UHFFFAOYSA-N 1 1 395.551 4.473 20 0 GIADMO CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000125857486 823730229 /nfs/dbraw/zinc/73/02/29/823730229.db2.gz JGRXDDNTGQSRGH-WBVHZDCISA-N 1 1 391.943 4.025 20 0 GIADMO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)c1nc(C)cs1 ZINC000191679337 823730529 /nfs/dbraw/zinc/73/05/29/823730529.db2.gz JYIULHJQGQWCDA-HUUCEWRRSA-N 1 1 394.338 4.060 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(Br)cc1F ZINC000574441522 823730772 /nfs/dbraw/zinc/73/07/72/823730772.db2.gz TUWNQFAPQMXHBV-VIFPVBQESA-N 1 1 387.199 4.156 20 0 GIADMO C[C@H](c1ccc(NC(=O)c2ccc3c(c2)C(C)(C)CO3)cc1)[NH+]1CCOCC1 ZINC000574443789 823731879 /nfs/dbraw/zinc/73/18/79/823731879.db2.gz WMWURVXZPHIQBW-MRXNPFEDSA-N 1 1 380.488 4.002 20 0 GIADMO CCOc1ccc2c(c1)C[N@H+](CCC(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000064013610 823733540 /nfs/dbraw/zinc/73/35/40/823733540.db2.gz RYTQJMKYWUREOQ-HSZRJFAPSA-N 1 1 378.516 4.027 20 0 GIADMO Cc1oc2ccccc2c1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191686231 823734076 /nfs/dbraw/zinc/73/40/76/823734076.db2.gz BAZUNBBPYPSWAJ-UHFFFAOYSA-N 1 1 396.438 4.324 20 0 GIADMO C[N@H+](Cc1cccs1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064030980 823738063 /nfs/dbraw/zinc/73/80/63/823738063.db2.gz XVAZRYLBBGFFBQ-LBPRGKRZSA-N 1 1 390.730 4.036 20 0 GIADMO CCCOc1cc(C)ccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000461888643 823739750 /nfs/dbraw/zinc/73/97/50/823739750.db2.gz HYLCARHNJPSLEV-FQEVSTJZSA-N 1 1 382.504 4.013 20 0 GIADMO CCCOc1cc(C)ccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000461888643 823739760 /nfs/dbraw/zinc/73/97/60/823739760.db2.gz HYLCARHNJPSLEV-FQEVSTJZSA-N 1 1 382.504 4.013 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccnc2C(F)(F)F)C1 ZINC000574482902 823742722 /nfs/dbraw/zinc/74/27/22/823742722.db2.gz XLEQYNRLLPBKCG-HIFRSBDPSA-N 1 1 378.398 4.057 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000461896632 823743459 /nfs/dbraw/zinc/74/34/59/823743459.db2.gz HFQKLSIHRZKQMW-QFIPXVFZSA-N 1 1 387.483 4.058 20 0 GIADMO COc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486447 823745016 /nfs/dbraw/zinc/74/50/16/823745016.db2.gz FXUCBGCTLNKLHP-YADHBBJMSA-N 1 1 380.532 4.190 20 0 GIADMO COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486447 823745022 /nfs/dbraw/zinc/74/50/22/823745022.db2.gz FXUCBGCTLNKLHP-YADHBBJMSA-N 1 1 380.532 4.190 20 0 GIADMO Cc1cc(-n2c(C)cn(C[N@@H+](Cc3ccc(F)cc3)C3CCCCC3)c2=O)no1 ZINC000064110507 823747442 /nfs/dbraw/zinc/74/74/42/823747442.db2.gz HPFVFYWSEOWOBL-UHFFFAOYSA-N 1 1 398.482 4.175 20 0 GIADMO C[N@H+](CCCOc1cccc(Cl)c1)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000064142839 823754053 /nfs/dbraw/zinc/75/40/53/823754053.db2.gz DPLMDFVZFSUBEL-UHFFFAOYSA-N 1 1 399.915 4.044 20 0 GIADMO C[N@@H+](CCCOc1cccc(Cl)c1)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000064142839 823754057 /nfs/dbraw/zinc/75/40/57/823754057.db2.gz DPLMDFVZFSUBEL-UHFFFAOYSA-N 1 1 399.915 4.044 20 0 GIADMO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)cc1 ZINC000574539301 823758736 /nfs/dbraw/zinc/75/87/36/823758736.db2.gz QZOFEMCRRBGSMA-QHCPKHFHSA-N 1 1 392.547 4.397 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N2CCSC3(CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000413361136 823759954 /nfs/dbraw/zinc/75/99/54/823759954.db2.gz OBNVHNFMDLQFML-UYAOXDASSA-N 1 1 387.593 4.111 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CSCc3cscn3)cc2)C1 ZINC000125994604 823762450 /nfs/dbraw/zinc/76/24/50/823762450.db2.gz BSOBQBSXCZVRBN-HNNXBMFYSA-N 1 1 375.563 4.247 20 0 GIADMO Brc1ccc([C@@H]2CCCN2c2cc[nH+]cc2Br)nc1 ZINC000413377909 823763605 /nfs/dbraw/zinc/76/36/05/823763605.db2.gz PKLACSOVCXJYSH-AWEZNQCLSA-N 1 1 383.087 4.343 20 0 GIADMO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126016383 823766877 /nfs/dbraw/zinc/76/68/77/823766877.db2.gz CWCFIWSJPCPCCC-LAUBAEHRSA-N 1 1 394.625 4.420 20 0 GIADMO Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000126022274 823768362 /nfs/dbraw/zinc/76/83/62/823768362.db2.gz HLZXJHWJOPYJAC-OAHLLOKOSA-N 1 1 391.519 4.139 20 0 GIADMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1Cl ZINC000574577110 823770784 /nfs/dbraw/zinc/77/07/84/823770784.db2.gz NOZKHYUCZFUTSZ-GFCCVEGCSA-N 1 1 387.954 4.443 20 0 GIADMO Clc1sccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000574586330 823772849 /nfs/dbraw/zinc/77/28/49/823772849.db2.gz BWFRUGDBUYGPDS-LJQANCHMSA-N 1 1 390.980 4.420 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413417769 823773158 /nfs/dbraw/zinc/77/31/58/823773158.db2.gz QERQNVFTFPCZTM-NZPGVSJUSA-N 1 1 385.886 4.052 20 0 GIADMO COc1ccc(CN(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000413434307 823777264 /nfs/dbraw/zinc/77/72/64/823777264.db2.gz DKTULEXOBWOJLY-DOTOQJQBSA-N 1 1 393.959 4.143 20 0 GIADMO CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249674 823780207 /nfs/dbraw/zinc/78/02/07/823780207.db2.gz LJWIXGRSAPKLJD-OAHLLOKOSA-N 1 1 376.850 4.146 20 0 GIADMO CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249674 823780215 /nfs/dbraw/zinc/78/02/15/823780215.db2.gz LJWIXGRSAPKLJD-OAHLLOKOSA-N 1 1 376.850 4.146 20 0 GIADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1sc2ccccc2c1Br ZINC000574611343 823780747 /nfs/dbraw/zinc/78/07/47/823780747.db2.gz OMAOHOHRBGRVKF-LBPRGKRZSA-N 1 1 381.339 4.078 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c(F)c(F)cc(F)c1F ZINC000574614501 823782520 /nfs/dbraw/zinc/78/25/20/823782520.db2.gz RNNMNTHXFLLLDS-HNNXBMFYSA-N 1 1 394.412 4.275 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000413497178 823787675 /nfs/dbraw/zinc/78/76/75/823787675.db2.gz LERRUSYYOPBIHS-ZOBUZTSGSA-N 1 1 386.458 4.095 20 0 GIADMO CSCC[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1nnc2ccccn21 ZINC000164244865 823789346 /nfs/dbraw/zinc/78/93/46/823789346.db2.gz XFCLATQHNRNXEX-DZGCQCFKSA-N 1 1 392.475 4.476 20 0 GIADMO Cc1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000064316797 823790095 /nfs/dbraw/zinc/79/00/95/823790095.db2.gz LABZHIXAPPLTRB-FQEVSTJZSA-N 1 1 376.422 4.066 20 0 GIADMO CCc1nc2c(s1)[C@@H]([NH2+][C@H](CCSC)c1nnc3ccccn31)CCC2 ZINC000164262383 823790822 /nfs/dbraw/zinc/79/08/22/823790822.db2.gz YKYABVRWGNRMOS-DZGCQCFKSA-N 1 1 387.578 4.210 20 0 GIADMO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)CC(F)(F)F ZINC000413526035 823792350 /nfs/dbraw/zinc/79/23/50/823792350.db2.gz BAYAQBIVZFZCJQ-NVXWUHKLSA-N 1 1 385.474 4.175 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000574657396 823792975 /nfs/dbraw/zinc/79/29/75/823792975.db2.gz MTXYSFNMEGSRIS-SBUREZEXSA-N 1 1 393.510 4.197 20 0 GIADMO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000574657396 823792979 /nfs/dbraw/zinc/79/29/79/823792979.db2.gz MTXYSFNMEGSRIS-SBUREZEXSA-N 1 1 393.510 4.197 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000574657396 823792985 /nfs/dbraw/zinc/79/29/85/823792985.db2.gz MTXYSFNMEGSRIS-SBUREZEXSA-N 1 1 393.510 4.197 20 0 GIADMO COCc1cc([C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)ccc1OC ZINC000164290629 823793245 /nfs/dbraw/zinc/79/32/45/823793245.db2.gz FBZKUGZKIQRVHP-GOSISDBHSA-N 1 1 379.504 4.132 20 0 GIADMO COc1cccc(Cl)c1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462009456 823793468 /nfs/dbraw/zinc/79/34/68/823793468.db2.gz JTEDTPWYLILEKE-UHFFFAOYSA-N 1 1 386.923 4.129 20 0 GIADMO CC(C)CCOc1ccc([C@@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000462015905 823795577 /nfs/dbraw/zinc/79/55/77/823795577.db2.gz LXJBBQXAXBIUEQ-QGZVFWFLSA-N 1 1 385.508 4.186 20 0 GIADMO O=C(Nc1ccc(OCc2ccccc2F)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000462017868 823796279 /nfs/dbraw/zinc/79/62/79/823796279.db2.gz RJSBEBYYMZHKRX-UHFFFAOYSA-N 1 1 395.434 4.241 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1OC)[C@H](C)c1cc2ccccc2o1 ZINC000064349160 823798503 /nfs/dbraw/zinc/79/85/03/823798503.db2.gz OWMPMNWGEIDPLB-OAHLLOKOSA-N 1 1 382.460 4.472 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1OC)[C@H](C)c1cc2ccccc2o1 ZINC000064349160 823798507 /nfs/dbraw/zinc/79/85/07/823798507.db2.gz OWMPMNWGEIDPLB-OAHLLOKOSA-N 1 1 382.460 4.472 20 0 GIADMO Cc1nc(CC2CC2)sc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000191862567 823798706 /nfs/dbraw/zinc/79/87/06/823798706.db2.gz UQMFWYPCMJLHQF-QAPCUYQASA-N 1 1 389.590 4.278 20 0 GIADMO CC[C@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)c1c(C)nn(C)c1C ZINC000164377092 823799017 /nfs/dbraw/zinc/79/90/17/823799017.db2.gz CQDBNCIODYYRDF-UNMCSNQZSA-N 1 1 376.504 4.458 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)c(OC)c1 ZINC000164396247 823800509 /nfs/dbraw/zinc/80/05/09/823800509.db2.gz HHARPLBXCCIKGB-CYBMUJFWSA-N 1 1 381.419 4.473 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1)C1CC1 ZINC000413600501 823802567 /nfs/dbraw/zinc/80/25/67/823802567.db2.gz GPQPXFOVNBCYOE-UHFFFAOYSA-N 1 1 391.559 4.067 20 0 GIADMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)CC2)c1 ZINC000126167651 823803866 /nfs/dbraw/zinc/80/38/66/823803866.db2.gz HRQGCOKTCFBZPD-UHFFFAOYSA-N 1 1 393.491 4.183 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)c1ccc([S@@](C)=O)cc1 ZINC000164511452 823806173 /nfs/dbraw/zinc/80/61/73/823806173.db2.gz LCLSWEDADCKMAR-WRHNGFHOSA-N 1 1 396.556 4.500 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462040234 823807679 /nfs/dbraw/zinc/80/76/79/823807679.db2.gz MBFBLECUHFLPOO-NJAPINKUSA-N 1 1 384.351 4.426 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)o2)c(C)c1 ZINC000164560628 823808682 /nfs/dbraw/zinc/80/86/82/823808682.db2.gz MZFHVIBLMJHNGD-UYAOXDASSA-N 1 1 382.504 4.032 20 0 GIADMO CC[NH+](CC)[C@H](c1nc(Cc2ccc(-n3cccn3)cc2)no1)c1ccccc1 ZINC000574721150 823808869 /nfs/dbraw/zinc/80/88/69/823808869.db2.gz JAOFMJNRZRKPBP-QFIPXVFZSA-N 1 1 387.487 4.277 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)o2)c(C)c1 ZINC000164560496 823808860 /nfs/dbraw/zinc/80/88/60/823808860.db2.gz MZFHVIBLMJHNGD-AZUAARDMSA-N 1 1 382.504 4.032 20 0 GIADMO O=C(NC1CC[NH+](Cc2sccc2Br)CC1)c1ccc(F)cc1 ZINC000164579210 823809897 /nfs/dbraw/zinc/80/98/97/823809897.db2.gz GFGGLZFVRMGVQL-UHFFFAOYSA-N 1 1 397.313 4.044 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)c1cc2ccccc2o1 ZINC000574723531 823810173 /nfs/dbraw/zinc/81/01/73/823810173.db2.gz RMKRAQXDWIKDMT-UFHDJZAFSA-N 1 1 384.520 4.014 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(Br)c1OC ZINC000574725564 823810492 /nfs/dbraw/zinc/81/04/92/823810492.db2.gz GBKIXHFIVGBHLL-UHFFFAOYSA-N 1 1 380.330 4.129 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1F ZINC000064395774 823810509 /nfs/dbraw/zinc/81/05/09/823810509.db2.gz GCEKBYBPBZTJCY-ROUUACIJSA-N 1 1 383.854 4.393 20 0 GIADMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462049111 823811438 /nfs/dbraw/zinc/81/14/38/823811438.db2.gz NCEILVPTLQLLLR-ZDUSSCGKSA-N 1 1 393.409 4.107 20 0 GIADMO C[C@@H](N[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000126208259 823812210 /nfs/dbraw/zinc/81/22/10/823812210.db2.gz PYSKAEDSLOHSJR-MSOLQXFVSA-N 1 1 399.966 4.160 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OCC)c(OC)c2)CC1 ZINC000126222515 823815513 /nfs/dbraw/zinc/81/55/13/823815513.db2.gz NQGIKZZISSHXBW-UHFFFAOYSA-N 1 1 377.529 4.070 20 0 GIADMO CN(C(=O)N[C@@H]1CCc2sc(Cl)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462061302 823816745 /nfs/dbraw/zinc/81/67/45/823816745.db2.gz QLUHNDCOEXGOQE-NVXWUHKLSA-N 1 1 389.952 4.305 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756504 823819904 /nfs/dbraw/zinc/81/99/04/823819904.db2.gz ZQPANEJQMQACAV-DSKINZAPSA-N 1 1 398.572 4.108 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756504 823819907 /nfs/dbraw/zinc/81/99/07/823819907.db2.gz ZQPANEJQMQACAV-DSKINZAPSA-N 1 1 398.572 4.108 20 0 GIADMO CC[C@H]1CN(c2ccccc2)CCN1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000462074051 823820177 /nfs/dbraw/zinc/82/01/77/823820177.db2.gz ZLUUVYQKCQNRFA-SFHVURJKSA-N 1 1 384.593 4.010 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2ccco2)CC1 ZINC000064447797 823820416 /nfs/dbraw/zinc/82/04/16/823820416.db2.gz WYKVQGNRTPEDFK-UHFFFAOYSA-N 1 1 394.437 4.354 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000064448233 823820450 /nfs/dbraw/zinc/82/04/50/823820450.db2.gz XRQKYMLUWSZIIO-QGZVFWFLSA-N 1 1 380.454 4.485 20 0 GIADMO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)ccn2)C1 ZINC000462075297 823820792 /nfs/dbraw/zinc/82/07/92/823820792.db2.gz FRSKXPAZQZHKCQ-QHAWAJNXSA-N 1 1 398.595 4.045 20 0 GIADMO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)ccn2)C1 ZINC000462075295 823820827 /nfs/dbraw/zinc/82/08/27/823820827.db2.gz FRSKXPAZQZHKCQ-NJDAHSKKSA-N 1 1 398.595 4.045 20 0 GIADMO Cc1ccccc1-c1cc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)n(C)n1 ZINC000462079528 823821523 /nfs/dbraw/zinc/82/15/23/823821523.db2.gz FKPIGQLQTYDTAP-KRWDZBQOSA-N 1 1 383.540 4.029 20 0 GIADMO CCCn1ncc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1C1CC1 ZINC000574769855 823821882 /nfs/dbraw/zinc/82/18/82/823821882.db2.gz WZMYYNMBKQHRCB-UHFFFAOYSA-N 1 1 399.514 4.049 20 0 GIADMO CCCn1ncc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1C1CC1 ZINC000574769855 823821887 /nfs/dbraw/zinc/82/18/87/823821887.db2.gz WZMYYNMBKQHRCB-UHFFFAOYSA-N 1 1 399.514 4.049 20 0 GIADMO CC(C)c1noc(-c2ccnc(NCCc3[nH+]ccn3Cc3ccccc3)c2)n1 ZINC000462090417 823825389 /nfs/dbraw/zinc/82/53/89/823825389.db2.gz JWGOUKJUGFZCGU-UHFFFAOYSA-N 1 1 388.475 4.154 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1ccc(F)cc1F ZINC000126291724 823831808 /nfs/dbraw/zinc/83/18/08/823831808.db2.gz UUJFACUNLPYZQH-HNNXBMFYSA-N 1 1 395.453 4.413 20 0 GIADMO Brc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)co2)cc1 ZINC000064508720 823832071 /nfs/dbraw/zinc/83/20/71/823832071.db2.gz OETDAXVASYQWTM-CQSZACIVSA-N 1 1 387.281 4.207 20 0 GIADMO CCN(C(=O)NC[C@H](C)CC(F)(F)F)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000413752114 823833681 /nfs/dbraw/zinc/83/36/81/823833681.db2.gz VQPJRAZOHITTTB-JFIYKMOQSA-N 1 1 385.474 4.442 20 0 GIADMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccnn2Cc2cccs2)cc1C ZINC000064517642 823833959 /nfs/dbraw/zinc/83/39/59/823833959.db2.gz SSVKIUDXRNMQEN-FQEVSTJZSA-N 1 1 394.544 4.385 20 0 GIADMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccnn2Cc2cccs2)cc1C ZINC000064517642 823833961 /nfs/dbraw/zinc/83/39/61/823833961.db2.gz SSVKIUDXRNMQEN-FQEVSTJZSA-N 1 1 394.544 4.385 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(-c2ccccc2)on1 ZINC000064521837 823835218 /nfs/dbraw/zinc/83/52/18/823835218.db2.gz WLDITBAIHKVTBQ-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-c2cnco2)cc1 ZINC000064521234 823835299 /nfs/dbraw/zinc/83/52/99/823835299.db2.gz XFOHKUAVBBRJAQ-MRXNPFEDSA-N 1 1 381.501 4.045 20 0 GIADMO CC[N@@H+](C)Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000126307731 823835760 /nfs/dbraw/zinc/83/57/60/823835760.db2.gz KCOWSYODZWAVCT-UHFFFAOYSA-N 1 1 396.409 4.183 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NCCNc1cccc(C)[nH+]1 ZINC000126313061 823836919 /nfs/dbraw/zinc/83/69/19/823836919.db2.gz LEWCEZWUDWSPLD-UHFFFAOYSA-N 1 1 396.516 4.129 20 0 GIADMO COc1cc(C)c([C@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000165297347 823842734 /nfs/dbraw/zinc/84/27/34/823842734.db2.gz KXPAZUWKPQIKQG-PZJWPPBQSA-N 1 1 382.548 4.227 20 0 GIADMO COc1cc(C)c([C@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000165297347 823842740 /nfs/dbraw/zinc/84/27/40/823842740.db2.gz KXPAZUWKPQIKQG-PZJWPPBQSA-N 1 1 382.548 4.227 20 0 GIADMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000413800356 823842913 /nfs/dbraw/zinc/84/29/13/823842913.db2.gz BNUVUIIQKBIOHM-SXWKCWPCSA-N 1 1 378.447 4.112 20 0 GIADMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1 ZINC000064555766 823843242 /nfs/dbraw/zinc/84/32/42/823843242.db2.gz OWTRFBVXFWWDRT-UHFFFAOYSA-N 1 1 389.471 4.481 20 0 GIADMO CSc1ccc(Cl)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000064563523 823846890 /nfs/dbraw/zinc/84/68/90/823846890.db2.gz ZULFMOPAWFKHHY-UHFFFAOYSA-N 1 1 387.896 4.273 20 0 GIADMO Cc1cccc2c(CCC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c[nH]c21 ZINC000462157013 823847805 /nfs/dbraw/zinc/84/78/05/823847805.db2.gz FVZSQNVLEOQWQQ-GCJKJVERSA-N 1 1 375.516 4.046 20 0 GIADMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)nnn1-c1ccc(Cl)cc1 ZINC000165447612 823849457 /nfs/dbraw/zinc/84/94/57/823849457.db2.gz CFDSWVVUUJUIDU-QWHCGFSZSA-N 1 1 398.898 4.132 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)N1[C@H](C)CC[C@H]1C ZINC000413845584 823850019 /nfs/dbraw/zinc/85/00/19/823850019.db2.gz PCQAKEFEVXEZMD-OAGGEKHMSA-N 1 1 393.959 4.013 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](Cc2ccccn2)C(C)C)cc1 ZINC000064629221 823854625 /nfs/dbraw/zinc/85/46/25/823854625.db2.gz PSDMHNJZXOBRFY-JOCHJYFZSA-N 1 1 381.520 4.054 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccccn2)C(C)C)cc1 ZINC000064629221 823854632 /nfs/dbraw/zinc/85/46/32/823854632.db2.gz PSDMHNJZXOBRFY-JOCHJYFZSA-N 1 1 381.520 4.054 20 0 GIADMO CCC[C@@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413876259 823854820 /nfs/dbraw/zinc/85/48/20/823854820.db2.gz KJALSCKESUZMAT-OAHLLOKOSA-N 1 1 396.373 4.244 20 0 GIADMO CSc1cccnc1-c1noc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000574896489 823854745 /nfs/dbraw/zinc/85/47/45/823854745.db2.gz HCOBYXGHXSCHHD-HNNXBMFYSA-N 1 1 384.480 4.372 20 0 GIADMO CC1(c2ccc(Br)cc2)CC[NH+](Cc2nnc(C3CC3)o2)CC1 ZINC000574895976 823855057 /nfs/dbraw/zinc/85/50/57/823855057.db2.gz BXRYKMYYRYRASK-UHFFFAOYSA-N 1 1 376.298 4.263 20 0 GIADMO CC[C@H](C)CN(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413879209 823856115 /nfs/dbraw/zinc/85/61/15/823856115.db2.gz MYRKSPKJLJIBPR-HNNXBMFYSA-N 1 1 396.373 4.101 20 0 GIADMO Fc1cc([C@H]2OCC[C@@H]2[NH2+]Cc2nc(-c3cccs3)no2)ccc1Cl ZINC000192087413 823856116 /nfs/dbraw/zinc/85/61/16/823856116.db2.gz DBMNDHXFIQFLJA-XJKSGUPXSA-N 1 1 379.844 4.210 20 0 GIADMO CC(C)[C@@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413878689 823856217 /nfs/dbraw/zinc/85/62/17/823856217.db2.gz MQYQAMJFZTVDNU-OAHLLOKOSA-N 1 1 396.373 4.099 20 0 GIADMO Fc1cc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc(-c3cccs3)no2)ccc1Cl ZINC000192087425 823856368 /nfs/dbraw/zinc/85/63/68/823856368.db2.gz DBMNDHXFIQFLJA-BBRMVZONSA-N 1 1 379.844 4.210 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1occc1COc1ccccc1 ZINC000462180387 823857070 /nfs/dbraw/zinc/85/70/70/823857070.db2.gz HKIQZNZYVDICOX-PGRDOPGGSA-N 1 1 390.483 4.109 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1occc1COc1ccccc1 ZINC000462180386 823857258 /nfs/dbraw/zinc/85/72/58/823857258.db2.gz HKIQZNZYVDICOX-GCJKJVERSA-N 1 1 390.483 4.109 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000462184604 823858882 /nfs/dbraw/zinc/85/88/82/823858882.db2.gz BCZPCPLZFXCCDS-JXFKEZNVSA-N 1 1 390.449 4.432 20 0 GIADMO COC(=O)CC[N@H+](Cc1coc(-c2ccc(Br)cc2)n1)CC(C)C ZINC000064694267 823865794 /nfs/dbraw/zinc/86/57/94/823865794.db2.gz FQWFTSHNDMKHBH-UHFFFAOYSA-N 1 1 395.297 4.125 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1sc2ccc(F)cc2c1C)[NH+](C)C ZINC000064709336 823868728 /nfs/dbraw/zinc/86/87/28/823868728.db2.gz PWACTRQQAYYSHB-KRWDZBQOSA-N 1 1 386.492 4.390 20 0 GIADMO C[N@H+](Cc1cscc1C(F)(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000574948391 823869103 /nfs/dbraw/zinc/86/91/03/823869103.db2.gz WNWSUOKQLYMKCU-UHFFFAOYSA-N 1 1 383.483 4.301 20 0 GIADMO C[N@@H+](Cc1cscc1C(F)(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000574948391 823869108 /nfs/dbraw/zinc/86/91/08/823869108.db2.gz WNWSUOKQLYMKCU-UHFFFAOYSA-N 1 1 383.483 4.301 20 0 GIADMO Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000064720196 823870577 /nfs/dbraw/zinc/87/05/77/823870577.db2.gz DTKLHOTZWQLSBQ-UHFFFAOYSA-N 1 1 397.519 4.349 20 0 GIADMO c1cc2c(s1)CCN([C@@H](CN[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172208 823871280 /nfs/dbraw/zinc/87/12/80/823871280.db2.gz VZYBKSMJNMVHHY-VSKRKVRLSA-N 1 1 381.589 4.064 20 0 GIADMO c1cc2c(s1)CCN([C@@H](CN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172208 823871289 /nfs/dbraw/zinc/87/12/89/823871289.db2.gz VZYBKSMJNMVHHY-VSKRKVRLSA-N 1 1 381.589 4.064 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000462209051 823872200 /nfs/dbraw/zinc/87/22/00/823872200.db2.gz NPJRNBXUVYKDAN-IMJJTQAJSA-N 1 1 397.332 4.167 20 0 GIADMO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574960838 823872665 /nfs/dbraw/zinc/87/26/65/823872665.db2.gz CVNKMVMRBSQSST-RDTXWAMCSA-N 1 1 396.350 4.053 20 0 GIADMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574960838 823872677 /nfs/dbraw/zinc/87/26/77/823872677.db2.gz CVNKMVMRBSQSST-RDTXWAMCSA-N 1 1 396.350 4.053 20 0 GIADMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000574962416 823873417 /nfs/dbraw/zinc/87/34/17/823873417.db2.gz RWTOSSHBOTWPLA-SIKLNZKXSA-N 1 1 378.516 4.271 20 0 GIADMO CSc1ncc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1-c1ccccc1 ZINC000064735270 823875276 /nfs/dbraw/zinc/87/52/76/823875276.db2.gz IHPKQSIYQGUNIE-SCTDSRPQSA-N 1 1 398.576 4.072 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000126465985 823875238 /nfs/dbraw/zinc/87/52/38/823875238.db2.gz PLVZESTVAFENPE-VXGBXAGGSA-N 1 1 397.306 4.082 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)s2)o1 ZINC000064735746 823875745 /nfs/dbraw/zinc/87/57/45/823875745.db2.gz LNRPWZZKUABTHY-JKIFEVAISA-N 1 1 387.549 4.497 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccnc(OCc3ccccc3)c2)C1 ZINC000064736042 823875786 /nfs/dbraw/zinc/87/57/86/823875786.db2.gz KGHSSMUOIKWHQU-XQBPLPMBSA-N 1 1 393.531 4.138 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000192139737 823876327 /nfs/dbraw/zinc/87/63/27/823876327.db2.gz OVVBSWITWJSVIV-AEFFLSMTSA-N 1 1 391.805 4.288 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166374453 823876794 /nfs/dbraw/zinc/87/67/94/823876794.db2.gz WAVUFPPGCDLBJJ-SJORKVTESA-N 1 1 397.519 4.015 20 0 GIADMO CCCc1c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cnn1Cc1ccccc1 ZINC000064739036 823876941 /nfs/dbraw/zinc/87/69/41/823876941.db2.gz HMFMUDBGHWUBFC-UHFFFAOYSA-N 1 1 396.579 4.076 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1 ZINC000064739275 823877254 /nfs/dbraw/zinc/87/72/54/823877254.db2.gz HXKJZIJWFWJKNX-UHFFFAOYSA-N 1 1 375.513 4.142 20 0 GIADMO c1cnn(Cc2ccc(-c3ccccc3CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166466693 823878065 /nfs/dbraw/zinc/87/80/65/823878065.db2.gz WELITOZONCIFDQ-DNQXCXABSA-N 1 1 386.543 4.315 20 0 GIADMO c1cnn(Cc2ccc(-c3ccccc3CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166466693 823878069 /nfs/dbraw/zinc/87/80/69/823878069.db2.gz WELITOZONCIFDQ-DNQXCXABSA-N 1 1 386.543 4.315 20 0 GIADMO O=C(Cc1ccc(O)cc1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000166807714 823882944 /nfs/dbraw/zinc/88/29/44/823882944.db2.gz ZLXXUOYBRYGBDA-UHFFFAOYSA-N 1 1 393.314 4.022 20 0 GIADMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccncc1C(F)(F)F ZINC000192158709 823884882 /nfs/dbraw/zinc/88/48/82/823884882.db2.gz USSQEXGPXDGDID-QGZVFWFLSA-N 1 1 397.828 4.321 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1cccc2ccccc21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000064791935 823887176 /nfs/dbraw/zinc/88/71/76/823887176.db2.gz HPZWAHSJOPDBNT-DNVJHFABSA-N 1 1 378.516 4.147 20 0 GIADMO CCC(CC)[N@@H+](CCOC)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000064806328 823888545 /nfs/dbraw/zinc/88/85/45/823888545.db2.gz UEVPJESSARQRNB-UHFFFAOYSA-N 1 1 379.501 4.025 20 0 GIADMO CC(C)[C@@H](NC(=O)C[N@@H+](C1CC1)C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000064808995 823889824 /nfs/dbraw/zinc/88/98/24/823889824.db2.gz RNDSLIHTQZDJMV-HSZRJFAPSA-N 1 1 386.536 4.068 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(COCC2CC2)c1 ZINC000462244953 823893896 /nfs/dbraw/zinc/89/38/96/823893896.db2.gz INRPLMVKQQXXQA-JPYJTQIMSA-N 1 1 393.531 4.255 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccnc1Cl ZINC000167791708 823895156 /nfs/dbraw/zinc/89/51/56/823895156.db2.gz SNHZGYUGAGQGOR-KBPBESRZSA-N 1 1 377.891 4.247 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(F)cc1F ZINC000167784262 823895310 /nfs/dbraw/zinc/89/53/10/823895310.db2.gz NGORDSJHYOCOIT-KGLIPLIRSA-N 1 1 378.438 4.477 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)cc1NC(C)=O ZINC000167869780 823897753 /nfs/dbraw/zinc/89/77/53/823897753.db2.gz NVKMLIJZSRAJIO-SJORKVTESA-N 1 1 383.536 4.434 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000414065020 823899233 /nfs/dbraw/zinc/89/92/33/823899233.db2.gz OCEWHRRFAKLXNE-JKSUJKDBSA-N 1 1 387.549 4.012 20 0 GIADMO CCOc1ccc(Oc2cc(C[NH2+][C@H](C)c3cc4n(n3)CCC4)ccn2)cc1 ZINC000414068912 823900982 /nfs/dbraw/zinc/90/09/82/823900982.db2.gz KCRFZEQFSCSYQY-MRXNPFEDSA-N 1 1 378.476 4.266 20 0 GIADMO C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)c(Br)c1 ZINC000462257667 823901996 /nfs/dbraw/zinc/90/19/96/823901996.db2.gz QGNACBVFWHNLMB-XUWXXGDYSA-N 1 1 397.332 4.025 20 0 GIADMO CC(C)c1cc(Br)ccc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462262580 823904480 /nfs/dbraw/zinc/90/44/80/823904480.db2.gz LYNXQKBBVIGHMD-UHFFFAOYSA-N 1 1 392.297 4.409 20 0 GIADMO Clc1ccc([C@@H]2CCC[C@@H]([NH2+]C3CCN(C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000414081597 823904532 /nfs/dbraw/zinc/90/45/32/823904532.db2.gz FEBSMFCWTDVECE-LRXVAGHRSA-N 1 1 376.972 4.457 20 0 GIADMO CC(C)OCc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000462264352 823905349 /nfs/dbraw/zinc/90/53/49/823905349.db2.gz XESVIVGIEOWIRE-PGRDOPGGSA-N 1 1 381.520 4.254 20 0 GIADMO C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC000575077951 823905366 /nfs/dbraw/zinc/90/53/66/823905366.db2.gz XBPQKFVDUXRYTP-KGVIQGDOSA-N 1 1 398.572 4.121 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC000414085066 823905430 /nfs/dbraw/zinc/90/54/30/823905430.db2.gz XWKFMUSKIAUYFF-YGRLFVJLSA-N 1 1 382.432 4.259 20 0 GIADMO Cc1cc(CNC(=O)N2CCCC[C@@H]2c2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000462268663 823906762 /nfs/dbraw/zinc/90/67/62/823906762.db2.gz QJSJWWQQBMQHHV-OAQYLSRUSA-N 1 1 378.520 4.427 20 0 GIADMO O=C(Nc1cccc(F)c1F)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000168837400 823906966 /nfs/dbraw/zinc/90/69/66/823906966.db2.gz FIKIYZZCJOXXGU-XLIONFOSSA-N 1 1 385.458 4.483 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2C[NH+]2CCSCC2)n1 ZINC000169126667 823908749 /nfs/dbraw/zinc/90/87/49/823908749.db2.gz LHAQZINOAYUEJW-NRFANRHFSA-N 1 1 396.560 4.308 20 0 GIADMO Cc1cc(CNC(=O)N(CCc2cccc(F)c2)C2CC2)cc(N2CCCC2)[nH+]1 ZINC000462274103 823909081 /nfs/dbraw/zinc/90/90/81/823909081.db2.gz SSCNRQMCUVWGNO-UHFFFAOYSA-N 1 1 396.510 4.046 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000462274270 823909289 /nfs/dbraw/zinc/90/92/89/823909289.db2.gz UOGZVCZBGJHRQJ-JXFKEZNVSA-N 1 1 392.528 4.452 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1csc(-c2ccccc2)n1 ZINC000414100415 823909749 /nfs/dbraw/zinc/90/97/49/823909749.db2.gz LHNUYTYAPDJRHA-GXTWGEPZSA-N 1 1 383.439 4.014 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105335 823910720 /nfs/dbraw/zinc/91/07/20/823910720.db2.gz GODCFBPQYHPKEY-UWJYYQICSA-N 1 1 393.556 4.228 20 0 GIADMO CCCc1c(NC(=O)CCn2cc[nH+]c2C(C)C)cnn1-c1ccc(F)cc1 ZINC000192234550 823911434 /nfs/dbraw/zinc/91/14/34/823911434.db2.gz RMNYZFMBUREGJE-UHFFFAOYSA-N 1 1 383.471 4.313 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)c(C)c1 ZINC000414108241 823911860 /nfs/dbraw/zinc/91/18/60/823911860.db2.gz JXYDWDDWUHDNPN-MRXNPFEDSA-N 1 1 395.528 4.241 20 0 GIADMO c1nc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)sc1-c1ccccc1 ZINC000126616464 823912205 /nfs/dbraw/zinc/91/22/05/823912205.db2.gz ONLRIEZWQLELLM-KRWDZBQOSA-N 1 1 375.501 4.232 20 0 GIADMO O=C1C[C@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)C(=O)N1c1cccc2ccccc21 ZINC000462285609 823912905 /nfs/dbraw/zinc/91/29/05/823912905.db2.gz BXQMDEWHPIHMSO-CVDCTZTESA-N 1 1 384.479 4.036 20 0 GIADMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1Cl ZINC000462300784 823916431 /nfs/dbraw/zinc/91/64/31/823916431.db2.gz JUZRZDAFZZADDT-KDOFPFPSSA-N 1 1 398.981 4.071 20 0 GIADMO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130828 823916342 /nfs/dbraw/zinc/91/63/42/823916342.db2.gz WXWYYFMASBNFAO-ZSZQSSIHSA-N 1 1 380.458 4.173 20 0 GIADMO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130828 823916349 /nfs/dbraw/zinc/91/63/49/823916349.db2.gz WXWYYFMASBNFAO-ZSZQSSIHSA-N 1 1 380.458 4.173 20 0 GIADMO C[C@@H](NCc1ccc2c[nH+]cn2c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414145203 823918216 /nfs/dbraw/zinc/91/82/16/823918216.db2.gz APCCFIQBBBZZKJ-LLVKDONJSA-N 1 1 383.345 4.388 20 0 GIADMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000064956860 823918190 /nfs/dbraw/zinc/91/81/90/823918190.db2.gz UMMGVEALIDCSNX-HIFRSBDPSA-N 1 1 399.343 4.107 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000064956860 823918202 /nfs/dbraw/zinc/91/82/02/823918202.db2.gz UMMGVEALIDCSNX-HIFRSBDPSA-N 1 1 399.343 4.107 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000064954504 823918281 /nfs/dbraw/zinc/91/82/81/823918281.db2.gz ONBHZLMLYRFMDX-GOSISDBHSA-N 1 1 384.520 4.455 20 0 GIADMO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000126666626 823922616 /nfs/dbraw/zinc/92/26/16/823922616.db2.gz DGTICNVRWOSCBW-LSDHHAIUSA-N 1 1 390.572 4.317 20 0 GIADMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000064995707 823922883 /nfs/dbraw/zinc/92/28/83/823922883.db2.gz WADNNXMWZLAWOW-ZBFHGGJFSA-N 1 1 375.538 4.228 20 0 GIADMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000064995707 823922893 /nfs/dbraw/zinc/92/28/93/823922893.db2.gz WADNNXMWZLAWOW-ZBFHGGJFSA-N 1 1 375.538 4.228 20 0 GIADMO CC(C)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2)c2nc3ccccc3s2)C1=O ZINC000414188967 823924960 /nfs/dbraw/zinc/92/49/60/823924960.db2.gz QUADPEFBVBRECS-OALUTQOASA-N 1 1 379.529 4.179 20 0 GIADMO CCC[N@H+](Cc1cncc(Br)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000170645234 823925027 /nfs/dbraw/zinc/92/50/27/823925027.db2.gz CJWMBBZDGVDBND-AWEZNQCLSA-N 1 1 376.298 4.083 20 0 GIADMO CCC[N@@H+](Cc1cncc(Br)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000170645234 823925034 /nfs/dbraw/zinc/92/50/34/823925034.db2.gz CJWMBBZDGVDBND-AWEZNQCLSA-N 1 1 376.298 4.083 20 0 GIADMO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462326028 823925564 /nfs/dbraw/zinc/92/55/64/823925564.db2.gz JHMSDPCOQYPGCT-KBXCAEBGSA-N 1 1 398.981 4.071 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)Cc1ccc(C(N)=O)cc1 ZINC000170648623 823926179 /nfs/dbraw/zinc/92/61/79/823926179.db2.gz HQRYRXYKKUBOOK-UHFFFAOYSA-N 1 1 377.488 4.285 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000170647741 823926857 /nfs/dbraw/zinc/92/68/57/823926857.db2.gz YSWVCTRHZNLXLV-AWEZNQCLSA-N 1 1 391.899 4.342 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccccc2Br)C1 ZINC000575159285 823926848 /nfs/dbraw/zinc/92/68/48/823926848.db2.gz UXTWKIGRKYYBHR-LJQANCHMSA-N 1 1 378.285 4.015 20 0 GIADMO CCC[N@@H+](Cc1cc(-c2ccco2)on1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000170652461 823927088 /nfs/dbraw/zinc/92/70/88/823927088.db2.gz WJNGJLBVNAEELL-UHFFFAOYSA-N 1 1 393.487 4.451 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126688820 823927368 /nfs/dbraw/zinc/92/73/68/823927368.db2.gz KDLCBXYIOVSOTJ-OXQOHEQNSA-N 1 1 385.552 4.465 20 0 GIADMO Cc1[nH]c2ccc(CNC(=O)NCCC[N@H+](C)Cc3ccccc3)cc2c1C ZINC000065031278 823927616 /nfs/dbraw/zinc/92/76/16/823927616.db2.gz LSMYLVKWWYCAFH-UHFFFAOYSA-N 1 1 378.520 4.106 20 0 GIADMO CSc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000575170694 823930783 /nfs/dbraw/zinc/93/07/83/823930783.db2.gz VWJCFWLOSBSFIZ-UHFFFAOYSA-N 1 1 380.966 4.472 20 0 GIADMO CSc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000575170694 823930786 /nfs/dbraw/zinc/93/07/86/823930786.db2.gz VWJCFWLOSBSFIZ-UHFFFAOYSA-N 1 1 380.966 4.472 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](CC(C)C)c2ccccn2)c1 ZINC000414215020 823931137 /nfs/dbraw/zinc/93/11/37/823931137.db2.gz WSWPVTCVYLSGHK-IBGZPJMESA-N 1 1 380.941 4.406 20 0 GIADMO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180427 823932975 /nfs/dbraw/zinc/93/29/75/823932975.db2.gz VGYAFLMFMQNKCY-FYYLOGMGSA-N 1 1 389.543 4.271 20 0 GIADMO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180427 823932982 /nfs/dbraw/zinc/93/29/82/823932982.db2.gz VGYAFLMFMQNKCY-FYYLOGMGSA-N 1 1 389.543 4.271 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC000414227730 823933988 /nfs/dbraw/zinc/93/39/88/823933988.db2.gz XAGNURJNAQQJAM-MEDUHNTESA-N 1 1 387.332 4.443 20 0 GIADMO CN1CCO[C@H]([C@H]([NH2+]Cc2cnccc2C(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000414235295 823935742 /nfs/dbraw/zinc/93/57/42/823935742.db2.gz UEQKIBCBHUQQHQ-LEWJYISDSA-N 1 1 387.955 4.194 20 0 GIADMO FC(F)(F)c1ccnc(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)n1 ZINC000414237009 823936569 /nfs/dbraw/zinc/93/65/69/823936569.db2.gz ATUCAFSHGJAJBU-HUUCEWRRSA-N 1 1 385.817 4.029 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000414237877 823936775 /nfs/dbraw/zinc/93/67/75/823936775.db2.gz LTAXPTRTJJTJEK-KRWDZBQOSA-N 1 1 394.334 4.020 20 0 GIADMO COc1cc2cc[nH+]c(NC3CCN(C(=O)c4ccccc4F)CC3)c2cc1F ZINC000575210681 823939679 /nfs/dbraw/zinc/93/96/79/823939679.db2.gz OEYQETDPFFGCLL-UHFFFAOYSA-N 1 1 397.425 4.238 20 0 GIADMO CCc1nc2cc(NC(=O)C3CC[NH+](Cc4csc(C)n4)CC3)ccc2o1 ZINC000170694690 823942782 /nfs/dbraw/zinc/94/27/82/823942782.db2.gz GZLVZACXAWOHHR-UHFFFAOYSA-N 1 1 384.505 4.006 20 0 GIADMO Cc1ccc(Br)c(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414260871 823944908 /nfs/dbraw/zinc/94/49/08/823944908.db2.gz NDXPDZPRBBTPOQ-UZLBHIALSA-N 1 1 388.353 4.153 20 0 GIADMO Cc1ccc(Br)c(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414260871 823944910 /nfs/dbraw/zinc/94/49/10/823944910.db2.gz NDXPDZPRBBTPOQ-UZLBHIALSA-N 1 1 388.353 4.153 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](c2ccccc2)C2CC2)CC1 ZINC000575241575 823950258 /nfs/dbraw/zinc/95/02/58/823950258.db2.gz BZHYVGOAYUZLQW-NRFANRHFSA-N 1 1 379.504 4.137 20 0 GIADMO CC(C)c1c(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cnn1-c1ccccc1 ZINC000192341226 823952479 /nfs/dbraw/zinc/95/24/79/823952479.db2.gz VPLRPGZHBQQROL-UHFFFAOYSA-N 1 1 395.551 4.478 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nc2ccccc12 ZINC000170719806 823952981 /nfs/dbraw/zinc/95/29/81/823952981.db2.gz RHMNJGKZKBMRBP-KRWDZBQOSA-N 1 1 384.524 4.017 20 0 GIADMO Cc1nc(C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nc2ccccc12 ZINC000170719806 823952994 /nfs/dbraw/zinc/95/29/94/823952994.db2.gz RHMNJGKZKBMRBP-KRWDZBQOSA-N 1 1 384.524 4.017 20 0 GIADMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000126797185 823953454 /nfs/dbraw/zinc/95/34/54/823953454.db2.gz GVNKITXSLMGJTQ-YOFSQIOKSA-N 1 1 379.529 4.148 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C)s2)C(C)C)cc1F ZINC000065162047 823954832 /nfs/dbraw/zinc/95/48/32/823954832.db2.gz KSDVBRRCYPZTBO-UHFFFAOYSA-N 1 1 378.513 4.073 20 0 GIADMO CC(=O)NC1CCC(Nc2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)CC1 ZINC000575324463 823956013 /nfs/dbraw/zinc/95/60/13/823956013.db2.gz KKOQIPOCNWOSGY-UHFFFAOYSA-N 1 1 381.398 4.301 20 0 GIADMO COCCCC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccc1 ZINC000065166035 823956282 /nfs/dbraw/zinc/95/62/82/823956282.db2.gz GORKEYGCMGLMJC-UHFFFAOYSA-N 1 1 378.875 4.346 20 0 GIADMO c1csc(-c2ncc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)s2)c1 ZINC000192356307 823958258 /nfs/dbraw/zinc/95/82/58/823958258.db2.gz MKJRURMDYKHHEX-GOSISDBHSA-N 1 1 399.585 4.252 20 0 GIADMO c1csc(-c2ncc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CCCO3)s2)c1 ZINC000192356307 823958262 /nfs/dbraw/zinc/95/82/62/823958262.db2.gz MKJRURMDYKHHEX-GOSISDBHSA-N 1 1 399.585 4.252 20 0 GIADMO CCCNC(=O)[C@H]1CCC[N@H+](Cn2c(C)c(C)n(C3CCCCC3)c2=S)C1 ZINC000065188675 823958314 /nfs/dbraw/zinc/95/83/14/823958314.db2.gz YRQJGBCWWGHBMH-SFHVURJKSA-N 1 1 392.613 4.337 20 0 GIADMO CCCNC(=O)[C@H]1CCC[N@@H+](Cn2c(C)c(C)n(C3CCCCC3)c2=S)C1 ZINC000065188675 823958320 /nfs/dbraw/zinc/95/83/20/823958320.db2.gz YRQJGBCWWGHBMH-SFHVURJKSA-N 1 1 392.613 4.337 20 0 GIADMO CCc1ccc([C@@H](CNCc2c[nH]nc2-c2cccnc2)[NH+](CC)CC)cc1 ZINC000575341790 823958824 /nfs/dbraw/zinc/95/88/24/823958824.db2.gz FJINQNSFASNBJW-JOCHJYFZSA-N 1 1 377.536 4.207 20 0 GIADMO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCc4nnc(C5CC5)s4)[C@H]3C2)cc1 ZINC000414327543 823958857 /nfs/dbraw/zinc/95/88/57/823958857.db2.gz OSSDLRWMXRQLCF-SLFFLAALSA-N 1 1 382.577 4.196 20 0 GIADMO Nc1c(Cl)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1Cl ZINC000126829494 823961165 /nfs/dbraw/zinc/96/11/65/823961165.db2.gz OETLWASUJSYRAD-LBPRGKRZSA-N 1 1 398.359 4.279 20 0 GIADMO Cc1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)ccc1NC(=O)OC(C)(C)C ZINC000126830744 823961591 /nfs/dbraw/zinc/96/15/91/823961591.db2.gz GKXFPEZUMDMRTR-UHFFFAOYSA-N 1 1 395.503 4.434 20 0 GIADMO Cc1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)ccc1NC(=O)OC(C)(C)C ZINC000126830744 823961598 /nfs/dbraw/zinc/96/15/98/823961598.db2.gz GKXFPEZUMDMRTR-UHFFFAOYSA-N 1 1 395.503 4.434 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)nnn1-c1cccc(Br)c1 ZINC000414346559 823962405 /nfs/dbraw/zinc/96/24/05/823962405.db2.gz UTLKRYXAFUJWRQ-IUIKQTSFSA-N 1 1 387.281 4.138 20 0 GIADMO CC(C)Cn1ncnc1C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000192372973 823963149 /nfs/dbraw/zinc/96/31/49/823963149.db2.gz XEZPONYHGVHDDK-GOSISDBHSA-N 1 1 379.346 4.358 20 0 GIADMO COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC000462417311 823966978 /nfs/dbraw/zinc/96/69/78/823966978.db2.gz VNDNYSDWWSBODJ-UOLNFUGQSA-N 1 1 399.922 4.088 20 0 GIADMO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126855116 823967256 /nfs/dbraw/zinc/96/72/56/823967256.db2.gz ONGRQEPYCVUPIG-CVDCTZTESA-N 1 1 388.511 4.007 20 0 GIADMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000170774645 823967754 /nfs/dbraw/zinc/96/77/54/823967754.db2.gz WBARSMMJXFBGNQ-YWZLYKJASA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000170774645 823967761 /nfs/dbraw/zinc/96/77/61/823967761.db2.gz WBARSMMJXFBGNQ-YWZLYKJASA-N 1 1 388.895 4.139 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cnccc1C(F)(F)F ZINC000575426831 823969741 /nfs/dbraw/zinc/96/97/41/823969741.db2.gz AVQLQKVVFKWLRF-OAHLLOKOSA-N 1 1 391.437 4.405 20 0 GIADMO CC(C)C[N@H+](Cc1nnc(-c2ccccc2)n1C)[C@@H]1CCCc2cccnc21 ZINC000126881726 823973008 /nfs/dbraw/zinc/97/30/08/823973008.db2.gz ULFIALDNQSASSI-HXUWFJFHSA-N 1 1 375.520 4.413 20 0 GIADMO CC(C)C[N@@H+](Cc1nnc(-c2ccccc2)n1C)[C@@H]1CCCc2cccnc21 ZINC000126881726 823973012 /nfs/dbraw/zinc/97/30/12/823973012.db2.gz ULFIALDNQSASSI-HXUWFJFHSA-N 1 1 375.520 4.413 20 0 GIADMO Cc1cscc1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000126895718 823975828 /nfs/dbraw/zinc/97/58/28/823975828.db2.gz GZOBPJJMOBVLSW-UHFFFAOYSA-N 1 1 393.350 4.213 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(C)c1Br ZINC000192420174 823982412 /nfs/dbraw/zinc/98/24/12/823982412.db2.gz JJUPAKPHHNXVNE-GOEBONIOSA-N 1 1 380.330 4.014 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000414430816 823983943 /nfs/dbraw/zinc/98/39/43/823983943.db2.gz MQEBMVAQKJXHLL-OAQYLSRUSA-N 1 1 375.451 4.117 20 0 GIADMO CS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)s1 ZINC000414434628 823985059 /nfs/dbraw/zinc/98/50/59/823985059.db2.gz PTVMRFRJCAKWIJ-OTWHNJEPSA-N 1 1 375.559 4.310 20 0 GIADMO CS(=O)(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)s1 ZINC000414434628 823985062 /nfs/dbraw/zinc/98/50/62/823985062.db2.gz PTVMRFRJCAKWIJ-OTWHNJEPSA-N 1 1 375.559 4.310 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000414451448 823987530 /nfs/dbraw/zinc/98/75/30/823987530.db2.gz NQWSITNFWLLVIP-SFHVURJKSA-N 1 1 393.510 4.232 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000414451447 823987648 /nfs/dbraw/zinc/98/76/48/823987648.db2.gz NQWSITNFWLLVIP-GOSISDBHSA-N 1 1 393.510 4.232 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126952266 823987992 /nfs/dbraw/zinc/98/79/92/823987992.db2.gz CMPYCSFVJKXYSL-OAQYLSRUSA-N 1 1 394.519 4.014 20 0 GIADMO COc1ccccc1COC[C@@H](O)C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126957260 823989428 /nfs/dbraw/zinc/98/94/28/823989428.db2.gz XPBNQPWXQUNMOL-FCHUYYIVSA-N 1 1 398.547 4.003 20 0 GIADMO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc([C@H]([NH3+])CC2CCCCC2)n1 ZINC000414476966 823992051 /nfs/dbraw/zinc/99/20/51/823992051.db2.gz AUGNYYIRLDCIGE-MRXNPFEDSA-N 1 1 390.915 4.358 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](COC)c2cccc(Cl)c2)cc1)C1CC1 ZINC000575784819 823994774 /nfs/dbraw/zinc/99/47/74/823994774.db2.gz UIXWQSBVQYMCSF-NRFANRHFSA-N 1 1 386.923 4.442 20 0 GIADMO COc1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc(OC)c1OCC(F)F ZINC000575786056 823995244 /nfs/dbraw/zinc/99/52/44/823995244.db2.gz DIFOTFFFOGFYLC-KRWDZBQOSA-N 1 1 399.478 4.271 20 0 GIADMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000575787687 823996003 /nfs/dbraw/zinc/99/60/03/823996003.db2.gz XZPZEHXGBBMCHU-CQSZACIVSA-N 1 1 382.439 4.118 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1SCc1cscn1 ZINC000575793607 823998412 /nfs/dbraw/zinc/99/84/12/823998412.db2.gz GUXLDLRMIYTYCH-OAHLLOKOSA-N 1 1 377.579 4.286 20 0 GIADMO C[C@@H](C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000414512005 823998848 /nfs/dbraw/zinc/99/88/48/823998848.db2.gz LZCJBSGHPXZSNN-PGRDOPGGSA-N 1 1 383.557 4.463 20 0 GIADMO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414511771 823998876 /nfs/dbraw/zinc/99/88/76/823998876.db2.gz XXTUPICWGIRDAP-SECBINFHSA-N 1 1 380.197 4.359 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cc(-c3ccsc3)nn2C)C1 ZINC000575809286 824001380 /nfs/dbraw/zinc/00/13/80/824001380.db2.gz MZDZUPZWBZNKFV-MAUKXSAKSA-N 1 1 395.532 4.106 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812691 824002134 /nfs/dbraw/zinc/00/21/34/824002134.db2.gz NXWSLILBNHBNGK-CRAIPNDOSA-N 1 1 393.409 4.094 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812691 824002139 /nfs/dbraw/zinc/00/21/39/824002139.db2.gz NXWSLILBNHBNGK-CRAIPNDOSA-N 1 1 393.409 4.094 20 0 GIADMO Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000575821790 824003398 /nfs/dbraw/zinc/00/33/98/824003398.db2.gz ICIBAFUDSBCYFX-GFCCVEGCSA-N 1 1 382.291 4.028 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCC(=O)c1csc2ccccc12 ZINC000127034405 824004496 /nfs/dbraw/zinc/00/44/96/824004496.db2.gz RGBPCAPBUFCWHS-MRXNPFEDSA-N 1 1 381.501 4.060 20 0 GIADMO CN(C[C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1)C(=O)OC(C)(C)C ZINC000170919340 824004916 /nfs/dbraw/zinc/00/49/16/824004916.db2.gz ODEYRMQBIKVMQL-OAHLLOKOSA-N 1 1 379.570 4.490 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1)C(=O)OC(C)(C)C ZINC000170919340 824004921 /nfs/dbraw/zinc/00/49/21/824004921.db2.gz ODEYRMQBIKVMQL-OAHLLOKOSA-N 1 1 379.570 4.490 20 0 GIADMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(SCc3csc(C)n3)cc2)[C@@H](C)C1 ZINC000575833745 824007097 /nfs/dbraw/zinc/00/70/97/824007097.db2.gz RUUBAZHSGXGRKT-GASCZTMLSA-N 1 1 389.590 4.299 20 0 GIADMO Cc1ncc([C@H](C)[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)s1 ZINC000127049952 824007181 /nfs/dbraw/zinc/00/71/81/824007181.db2.gz PZQSNNCNNMEEBO-BLLLJJGKSA-N 1 1 397.466 4.485 20 0 GIADMO CC[C@@H]1C[C@H](C[N@@H+](C[C@@H](O)COc2ccccc2SC)C(C)C)CCO1 ZINC000414544883 824007572 /nfs/dbraw/zinc/00/75/72/824007572.db2.gz FRFYVBKKVXQSAR-GUDVDZBRSA-N 1 1 381.582 4.064 20 0 GIADMO COc1cc(OC)c(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(OC)c1 ZINC000414549997 824009241 /nfs/dbraw/zinc/00/92/41/824009241.db2.gz IPXIHKJAZHVESJ-JOCHJYFZSA-N 1 1 383.488 4.066 20 0 GIADMO COc1cc(OC)c(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(OC)c1 ZINC000414549997 824009248 /nfs/dbraw/zinc/00/92/48/824009248.db2.gz IPXIHKJAZHVESJ-JOCHJYFZSA-N 1 1 383.488 4.066 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1scnc1C1CC1)C(C)C ZINC000414551026 824009759 /nfs/dbraw/zinc/00/97/59/824009759.db2.gz JLCBQRUSDMJBMD-MRXNPFEDSA-N 1 1 392.590 4.393 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000414556476 824011238 /nfs/dbraw/zinc/01/12/38/824011238.db2.gz VWTFEWBQQWFKNN-LLVKDONJSA-N 1 1 391.762 4.141 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000414556476 824011245 /nfs/dbraw/zinc/01/12/45/824011245.db2.gz VWTFEWBQQWFKNN-LLVKDONJSA-N 1 1 391.762 4.141 20 0 GIADMO CCC[C@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC[N@H+]1Cc1ccccc1 ZINC000127079874 824013275 /nfs/dbraw/zinc/01/32/75/824013275.db2.gz NSIOUYACSOGWOW-UTKZUKDTSA-N 1 1 382.552 4.033 20 0 GIADMO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)CC2(C)C)cn1 ZINC000575861443 824015094 /nfs/dbraw/zinc/01/50/94/824015094.db2.gz LJJDBWIYUMXUQN-NRFANRHFSA-N 1 1 388.515 4.151 20 0 GIADMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883498 824019116 /nfs/dbraw/zinc/01/91/16/824019116.db2.gz VSDINERARKKYRX-GQIGUUNPSA-N 1 1 388.353 4.405 20 0 GIADMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883498 824019124 /nfs/dbraw/zinc/01/91/24/824019124.db2.gz VSDINERARKKYRX-GQIGUUNPSA-N 1 1 388.353 4.405 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000170961367 824019992 /nfs/dbraw/zinc/01/99/92/824019992.db2.gz UCPCFQYHLNGRGW-QGZVFWFLSA-N 1 1 379.529 4.498 20 0 GIADMO CCCNC(=O)C1([NH2+]Cc2coc(-c3ccc(OCC)cc3)n2)CCCCC1 ZINC000127139166 824024649 /nfs/dbraw/zinc/02/46/49/824024649.db2.gz OEAMMGHLVBEXHF-UHFFFAOYSA-N 1 1 385.508 4.059 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000170977676 824026299 /nfs/dbraw/zinc/02/62/99/824026299.db2.gz UXURAACTUKDNHS-QGZVFWFLSA-N 1 1 381.545 4.137 20 0 GIADMO CCNC(=O)COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)cc1OC ZINC000575907464 824026593 /nfs/dbraw/zinc/02/65/93/824026593.db2.gz HNKDRVAZTJDOMH-RXVVDRJESA-N 1 1 396.531 4.183 20 0 GIADMO COCc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000192567191 824033635 /nfs/dbraw/zinc/03/36/35/824033635.db2.gz NJVUKPUZBAHEMR-XMSQKQJNSA-N 1 1 381.520 4.350 20 0 GIADMO Fc1ccc(-n2cc(C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@H]43)cn2)cc1 ZINC000575956123 824037178 /nfs/dbraw/zinc/03/71/78/824037178.db2.gz KUNGFALQSWUMBE-DNVJHFABSA-N 1 1 377.463 4.016 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000575959247 824038136 /nfs/dbraw/zinc/03/81/36/824038136.db2.gz PINIKTGEASAIHC-CYBMUJFWSA-N 1 1 398.338 4.088 20 0 GIADMO Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000171026758 824041813 /nfs/dbraw/zinc/04/18/13/824041813.db2.gz JJUWUTDQCQPWLB-GCJKJVERSA-N 1 1 393.531 4.251 20 0 GIADMO Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000171029250 824042555 /nfs/dbraw/zinc/04/25/55/824042555.db2.gz DEZDUQWFXNIFCQ-UHFFFAOYSA-N 1 1 390.487 4.044 20 0 GIADMO O=C(NCC(F)(F)c1ccc(Cl)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000575976553 824042756 /nfs/dbraw/zinc/04/27/56/824042756.db2.gz NWQIPNKHRCDRKG-RDTXWAMCSA-N 1 1 397.897 4.090 20 0 GIADMO CC[N@H+]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)[C@@H](C)C1 ZINC000575994777 824046180 /nfs/dbraw/zinc/04/61/80/824046180.db2.gz WWAAIMZBJJGWFP-ZDUSSCGKSA-N 1 1 396.318 4.134 20 0 GIADMO O=C(Nc1ccc2c(c1)CCCC2=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000575996751 824046680 /nfs/dbraw/zinc/04/66/80/824046680.db2.gz RPINBPXUUYUCPN-UHFFFAOYSA-N 1 1 395.478 4.085 20 0 GIADMO O=C(Nc1ccc2c(c1)CCCC2=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000575996751 824046685 /nfs/dbraw/zinc/04/66/85/824046685.db2.gz RPINBPXUUYUCPN-UHFFFAOYSA-N 1 1 395.478 4.085 20 0 GIADMO FC(F)(F)c1cccc(CCCC[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000192630229 824050248 /nfs/dbraw/zinc/05/02/48/824050248.db2.gz YKZGOCNXKJBTAS-SFHVURJKSA-N 1 1 384.486 4.119 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000192631471 824050765 /nfs/dbraw/zinc/05/07/65/824050765.db2.gz DRSXXFMKIXUTQZ-SJCJKPOMSA-N 1 1 385.430 4.113 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000576023353 824051790 /nfs/dbraw/zinc/05/17/90/824051790.db2.gz MUSNKIABZVUVAU-SFHVURJKSA-N 1 1 391.309 4.479 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000576023353 824051794 /nfs/dbraw/zinc/05/17/94/824051794.db2.gz MUSNKIABZVUVAU-SFHVURJKSA-N 1 1 391.309 4.479 20 0 GIADMO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000414936792 824051951 /nfs/dbraw/zinc/05/19/51/824051951.db2.gz HAMFSUJETSMXDQ-SBUREZEXSA-N 1 1 375.516 4.409 20 0 GIADMO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)cs2)cc1 ZINC000171064365 824052834 /nfs/dbraw/zinc/05/28/34/824052834.db2.gz BTPIWOBAZJBJPC-BEFAXECRSA-N 1 1 390.574 4.368 20 0 GIADMO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)cs2)cc1 ZINC000171064365 824052840 /nfs/dbraw/zinc/05/28/40/824052840.db2.gz BTPIWOBAZJBJPC-BEFAXECRSA-N 1 1 390.574 4.368 20 0 GIADMO CC(C)(C)c1cc(C[NH2+][C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)no1 ZINC000576031833 824053728 /nfs/dbraw/zinc/05/37/28/824053728.db2.gz QXGJWOUDOZMTFR-LJQANCHMSA-N 1 1 382.426 4.482 20 0 GIADMO CC[N@H+]1CCC[C@@H](CN(C)Cc2cnc(C3CCC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328635856 206237249 /nfs/dbraw/zinc/23/72/49/206237249.db2.gz NRZUCIVNKKEUGM-FXAWDEMLSA-N 1 1 387.597 4.049 20 0 GIADMO CCN1CCC[C@@H](C[N@H+](C)Cc2cnc(C3CCC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328635856 206237253 /nfs/dbraw/zinc/23/72/53/206237253.db2.gz NRZUCIVNKKEUGM-FXAWDEMLSA-N 1 1 387.597 4.049 20 0 GIADMO CCN1CCC[C@@H](C[N@@H+](C)Cc2cnc(C3CCC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328635856 206237257 /nfs/dbraw/zinc/23/72/57/206237257.db2.gz NRZUCIVNKKEUGM-FXAWDEMLSA-N 1 1 387.597 4.049 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000026336094 207312553 /nfs/dbraw/zinc/31/25/53/207312553.db2.gz OWFMEKBJKNVYCP-CYBMUJFWSA-N 1 1 393.409 4.123 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000026336094 207312557 /nfs/dbraw/zinc/31/25/57/207312557.db2.gz OWFMEKBJKNVYCP-CYBMUJFWSA-N 1 1 393.409 4.123 20 0 GIADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cc(-c3cccc(C)c3)nnc1Cl)C2 ZINC001164448991 718993044 /nfs/dbraw/zinc/99/30/44/718993044.db2.gz KXWVVYIHAUYCNS-UHFFFAOYSA-N 1 1 389.837 4.175 20 0 GIADMO Clc1nnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2ccccc12 ZINC001164622728 719061026 /nfs/dbraw/zinc/06/10/26/719061026.db2.gz IQFLDJZTVGLLKS-YLJYHZDGSA-N 1 1 378.907 4.384 20 0 GIADMO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2cc(Oc3ccccc3)ncn2)cc1 ZINC001164621866 719064093 /nfs/dbraw/zinc/06/40/93/719064093.db2.gz IAFZSVQYXOUZQC-UNMCSNQZSA-N 1 1 386.499 4.370 20 0 GIADMO Cc1nc(Cl)cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618948 719064450 /nfs/dbraw/zinc/06/44/50/719064450.db2.gz BQXPSYNQTQUBJK-IRXDYDNUSA-N 1 1 392.881 4.084 20 0 GIADMO Cc1nc2cc(F)ccc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164624352 719067794 /nfs/dbraw/zinc/06/77/94/719067794.db2.gz LJTRQUSBMJCDFM-GCJKJVERSA-N 1 1 376.479 4.178 20 0 GIADMO Clc1ccnc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc12 ZINC001164628877 719083588 /nfs/dbraw/zinc/08/35/88/719083588.db2.gz UEWIOCFUQMYGCR-FXAWDEMLSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1ccnc2cnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc12 ZINC001164628923 719085443 /nfs/dbraw/zinc/08/54/43/719085443.db2.gz UWSLYDRGTIEAQF-UTKZUKDTSA-N 1 1 378.907 4.384 20 0 GIADMO Cc1nc(-c2ccncc2)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164625130 719104944 /nfs/dbraw/zinc/10/49/44/719104944.db2.gz GQMCEWWMTKSHQV-PKTZIBPZSA-N 1 1 399.542 4.256 20 0 GIADMO CSc1ccc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2c1 ZINC001164630376 719109960 /nfs/dbraw/zinc/10/99/60/719109960.db2.gz VWIXXYOHBWLOHX-XMSQKQJNSA-N 1 1 390.556 4.453 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164633935 719250231 /nfs/dbraw/zinc/25/02/31/719250231.db2.gz LQWVPDVKSXPGDL-UONOGXRCSA-N 1 1 381.854 4.356 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164633935 719250233 /nfs/dbraw/zinc/25/02/33/719250233.db2.gz LQWVPDVKSXPGDL-UONOGXRCSA-N 1 1 381.854 4.356 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164650526 719309426 /nfs/dbraw/zinc/30/94/26/719309426.db2.gz YYJITBBDCONTMZ-UHFFFAOYSA-N 1 1 383.927 4.290 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4ncccc42)CC3)cs1 ZINC001164691751 719804452 /nfs/dbraw/zinc/80/44/52/719804452.db2.gz JOPHZEPICLXBOU-UHFFFAOYSA-N 1 1 379.533 4.030 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)ncc2F)CC3)cs1 ZINC001164693852 719807712 /nfs/dbraw/zinc/80/77/12/719807712.db2.gz RSRZWAAJLJBAAQ-UHFFFAOYSA-N 1 1 380.920 4.274 20 0 GIADMO CCc1c(Cl)ncnc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693082 719814708 /nfs/dbraw/zinc/81/47/08/719814708.db2.gz UGEIFTCZIPMIRQ-UHFFFAOYSA-N 1 1 391.972 4.092 20 0 GIADMO F[C@@H](c1ccnc(Cl)c1)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696039 719892311 /nfs/dbraw/zinc/89/23/11/719892311.db2.gz VMYZKULHZLFMHB-GOSISDBHSA-N 1 1 395.931 4.132 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cccc(C)c3n1)C2 ZINC001164808594 720076756 /nfs/dbraw/zinc/07/67/56/720076756.db2.gz IHJWFLPOJBCULW-RDPSFJRHSA-N 1 1 379.548 4.036 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164808610 720080943 /nfs/dbraw/zinc/08/09/43/720080943.db2.gz IIFFKEJIWFEENH-XMSQKQJNSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164805877 720099509 /nfs/dbraw/zinc/09/95/09/720099509.db2.gz AIKSNUJEJUNNDE-FOIQADDNSA-N 1 1 391.968 4.134 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164806951 720100739 /nfs/dbraw/zinc/10/07/39/720100739.db2.gz ABYSBUIPWDOCBN-AVRDEDQJSA-N 1 1 385.939 4.073 20 0 GIADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723174 720328651 /nfs/dbraw/zinc/32/86/51/720328651.db2.gz HILRLMJPIRVHQG-RBUKOAKNSA-N 1 1 382.870 4.276 20 0 GIADMO Clc1cc(-c2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2)ccn1 ZINC001164729902 720354174 /nfs/dbraw/zinc/35/41/74/720354174.db2.gz YUQIDGSOKZBGCA-WOJBJXKFSA-N 1 1 391.906 4.045 20 0 GIADMO Cc1cc2nc(Cl)c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2cc1C ZINC001164725823 720404587 /nfs/dbraw/zinc/40/45/87/720404587.db2.gz NQUJRFXMEVLSIV-VQTJNVASSA-N 1 1 393.922 4.148 20 0 GIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164726333 720410124 /nfs/dbraw/zinc/41/01/24/720410124.db2.gz BMNILVUSROPDFJ-UXHICEINSA-N 1 1 394.906 4.145 20 0 GIADMO Cc1c(Cl)ccc2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164735415 720421317 /nfs/dbraw/zinc/42/13/17/720421317.db2.gz XGJVOCJJYQYCDM-VQTJNVASSA-N 1 1 378.907 4.445 20 0 GIADMO CCCCOc1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164735871 720425126 /nfs/dbraw/zinc/42/51/26/720425126.db2.gz YVHFAEJJPGLQCR-PMACEKPBSA-N 1 1 386.927 4.162 20 0 GIADMO CCCCOc1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164735871 720425133 /nfs/dbraw/zinc/42/51/33/720425133.db2.gz YVHFAEJJPGLQCR-PMACEKPBSA-N 1 1 386.927 4.162 20 0 GIADMO Cc1cccc2cc(Cl)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731148 720473282 /nfs/dbraw/zinc/47/32/82/720473282.db2.gz WDLCCMKVTGITPC-OALUTQOASA-N 1 1 378.907 4.445 20 0 GIADMO Cc1cccc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc12 ZINC001164833262 720506575 /nfs/dbraw/zinc/50/65/75/720506575.db2.gz CKJPKRAWFGARDL-YPAWHYETSA-N 1 1 389.547 4.118 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3ccccc3n1)CC2 ZINC001164837624 720660589 /nfs/dbraw/zinc/66/05/89/720660589.db2.gz DLDLXCBOXRAWEZ-JOCHJYFZSA-N 1 1 387.527 4.495 20 0 GIADMO Cc1sc2nc(C)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1C ZINC001164859343 720958819 /nfs/dbraw/zinc/95/88/19/720958819.db2.gz MWSXHGKMMVBEIE-AWEZNQCLSA-N 1 1 398.580 4.234 20 0 GIADMO Clc1cc(Cl)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164785872 721400384 /nfs/dbraw/zinc/40/03/84/721400384.db2.gz NKOUIKSMSCFCDA-NXEZZACHSA-N 1 1 389.739 4.067 20 0 GIADMO Clc1cnc(Cl)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1Cl ZINC001164780587 721412242 /nfs/dbraw/zinc/41/22/42/721412242.db2.gz BKKGGJXJDYGCTP-AOOOYVTPSA-N 1 1 389.739 4.067 20 0 GIADMO Clc1cnc(Cl)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1Cl ZINC001164780587 721412247 /nfs/dbraw/zinc/41/22/47/721412247.db2.gz BKKGGJXJDYGCTP-AOOOYVTPSA-N 1 1 389.739 4.067 20 0 GIADMO CC(C)(C)c1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(C(C)(C)C)n1 ZINC001164790996 721424496 /nfs/dbraw/zinc/42/44/96/721424496.db2.gz YXCGZRJRTHCLEM-HOTGVXAUSA-N 1 1 399.608 4.096 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3c1CCC3)CC2 ZINC001164791960 721492638 /nfs/dbraw/zinc/49/26/38/721492638.db2.gz GYEFRKKIKSKJTK-UHFFFAOYSA-N 1 1 396.966 4.500 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164792238 721494518 /nfs/dbraw/zinc/49/45/18/721494518.db2.gz LCDZEDSDDGVLPK-UHFFFAOYSA-N 1 1 392.334 4.059 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164792273 721496418 /nfs/dbraw/zinc/49/64/18/721496418.db2.gz MOFWLBGLLPIZNC-UHFFFAOYSA-N 1 1 391.494 4.045 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164791985 721497024 /nfs/dbraw/zinc/49/70/24/721497024.db2.gz IKHOOXHZCOCGKY-UHFFFAOYSA-N 1 1 395.938 4.444 20 0 GIADMO Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc2[nH]ccc21 ZINC001164795711 721497968 /nfs/dbraw/zinc/49/79/68/721497968.db2.gz JZSPUSKRGKVANB-UHFFFAOYSA-N 1 1 375.520 4.147 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164796309 721499321 /nfs/dbraw/zinc/49/93/21/721499321.db2.gz PSQMHFUHDXNFKY-UHFFFAOYSA-N 1 1 399.542 4.420 20 0 GIADMO FC1(F)CCN(c2nccc3ccccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905619 721586800 /nfs/dbraw/zinc/58/68/00/721586800.db2.gz KGKMBTBLPJQWQJ-QFIPXVFZSA-N 1 1 394.469 4.368 20 0 GIADMO Cc1c[nH]c2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc12 ZINC001164906697 721696866 /nfs/dbraw/zinc/69/68/66/721696866.db2.gz OWGIYLFQKMFFIF-NRFANRHFSA-N 1 1 397.473 4.004 20 0 GIADMO Cc1c[nH]c2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ccc12 ZINC001164906698 721697226 /nfs/dbraw/zinc/69/72/26/721697226.db2.gz OWGIYLFQKMFFIF-OAQYLSRUSA-N 1 1 397.473 4.004 20 0 GIADMO Cc1nc2ccsc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024586 721799401 /nfs/dbraw/zinc/79/94/01/721799401.db2.gz MFRMXJNBCYIFBM-XKGZKEIXSA-N 1 1 393.560 4.132 20 0 GIADMO Cc1nc(C(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165025796 721801931 /nfs/dbraw/zinc/80/19/31/721801931.db2.gz OYCGETGZFUSMNX-CZTZKLFOSA-N 1 1 379.552 4.040 20 0 GIADMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc2ccccc12 ZINC001165027369 721809606 /nfs/dbraw/zinc/80/96/06/721809606.db2.gz UJYWKCYHXZLFCQ-ZEYPLWLESA-N 1 1 387.531 4.070 20 0 GIADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930538 721877710 /nfs/dbraw/zinc/87/77/10/721877710.db2.gz DEWCJBOVYPWAAP-BJKOFHAPSA-N 1 1 386.543 4.116 20 0 GIADMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930538 721877711 /nfs/dbraw/zinc/87/77/11/721877711.db2.gz DEWCJBOVYPWAAP-BJKOFHAPSA-N 1 1 386.543 4.116 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCn4cccc4C3)c2c1C ZINC001165051573 721991903 /nfs/dbraw/zinc/99/19/03/721991903.db2.gz JRAUBYBNUSTPIW-UHFFFAOYSA-N 1 1 381.549 4.116 20 0 GIADMO Cc1c[nH]c2nc(Cl)cc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955620 722021034 /nfs/dbraw/zinc/02/10/34/722021034.db2.gz KMJKDIUHVGFAQM-UHFFFAOYSA-N 1 1 395.938 4.412 20 0 GIADMO CC(C)c1c(Cl)ncnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164961381 722024219 /nfs/dbraw/zinc/02/42/19/722024219.db2.gz NKEFGCSLWXSTEU-UHFFFAOYSA-N 1 1 385.943 4.141 20 0 GIADMO Cc1nc2sccc2c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993630 722190956 /nfs/dbraw/zinc/19/09/56/722190956.db2.gz FYNQTZHKFBOFMW-OAQYLSRUSA-N 1 1 382.508 4.384 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nnc(Cl)cc2Cl)C3)c1 ZINC001164993953 722192918 /nfs/dbraw/zinc/19/29/18/722192918.db2.gz JUIWFPKSTWXTGD-GOSISDBHSA-N 1 1 381.282 4.167 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nnc(Cl)cc2Cl)C3)c1 ZINC001164993953 722192920 /nfs/dbraw/zinc/19/29/20/722192920.db2.gz JUIWFPKSTWXTGD-GOSISDBHSA-N 1 1 381.282 4.167 20 0 GIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164994236 722196646 /nfs/dbraw/zinc/19/66/46/722196646.db2.gz LYWOCZQXLFFDTA-NRFANRHFSA-N 1 1 399.901 4.304 20 0 GIADMO CSc1nc(Cl)ncc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995399 722199571 /nfs/dbraw/zinc/19/95/71/722199571.db2.gz NPIHSEJIQNBMQN-IBGZPJMESA-N 1 1 392.931 4.236 20 0 GIADMO Cc1cccc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c12 ZINC001164995352 722200809 /nfs/dbraw/zinc/20/08/09/722200809.db2.gz MHTVDLJXRKPSHR-HSZRJFAPSA-N 1 1 376.479 4.322 20 0 GIADMO CC(C)n1ccc2c1ncnc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996220 722206526 /nfs/dbraw/zinc/20/65/26/722206526.db2.gz RREYPCUJPYHSEU-QHCPKHFHSA-N 1 1 393.510 4.396 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nccnc2Cl)C3)c1 ZINC001164995568 722206845 /nfs/dbraw/zinc/20/68/45/722206845.db2.gz OEKDBXIOAHMUFA-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nccnc2Cl)C3)c1 ZINC001164995568 722206847 /nfs/dbraw/zinc/20/68/47/722206847.db2.gz OEKDBXIOAHMUFA-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Cc1cc2cccnc2c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995532 722211153 /nfs/dbraw/zinc/21/11/53/722211153.db2.gz JPKAKNCBJQHNRG-QHCPKHFHSA-N 1 1 376.479 4.322 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nccc4c5c([nH]c42)CCC5)C3)c1 ZINC001164997514 722211952 /nfs/dbraw/zinc/21/19/52/722211952.db2.gz RBCXRRWQPJJQDP-XMMPIXPASA-N 1 1 390.506 4.436 20 0 GIADMO CC(C)OC(=O)c1cccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164997495 722212410 /nfs/dbraw/zinc/21/24/10/722212410.db2.gz QWAAZNFOFYBQPN-HSZRJFAPSA-N 1 1 397.494 4.031 20 0 GIADMO O=c1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c2cc3c(cc2o1)CCC3 ZINC000175815398 823046878 /nfs/dbraw/zinc/04/68/78/823046878.db2.gz VAORSEYMOTZVOU-AZUAARDMSA-N 1 1 395.524 4.431 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175818618 823047378 /nfs/dbraw/zinc/04/73/78/823047378.db2.gz NQGSAPMQBLPCHK-PBHICJAKSA-N 1 1 378.925 4.237 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175818618 823047383 /nfs/dbraw/zinc/04/73/83/823047383.db2.gz NQGSAPMQBLPCHK-PBHICJAKSA-N 1 1 378.925 4.237 20 0 GIADMO CSCc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000187364082 823050255 /nfs/dbraw/zinc/05/02/55/823050255.db2.gz HFQQVIYUWZLMKI-VQIMIIECSA-N 1 1 375.582 4.002 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1CCCc1nc(-c2ccccc2)no1)c1cccs1 ZINC000175834391 823050830 /nfs/dbraw/zinc/05/08/30/823050830.db2.gz DXOCUIWFYGSPQF-MSOLQXFVSA-N 1 1 383.517 4.319 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000175836188 823051321 /nfs/dbraw/zinc/05/13/21/823051321.db2.gz IAKBNGSMBFKNCI-HRAATJIYSA-N 1 1 377.492 4.127 20 0 GIADMO COc1ccc2c(c1)CN(C(=O)N[C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC000175837139 823051704 /nfs/dbraw/zinc/05/17/04/823051704.db2.gz HHRRKVMOKOEXFE-MRXNPFEDSA-N 1 1 390.487 4.018 20 0 GIADMO Cc1csc2nc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cc3)cc(=O)n12 ZINC000055855420 823054127 /nfs/dbraw/zinc/05/41/27/823054127.db2.gz GIBMFXSJEZAUEP-HXUWFJFHSA-N 1 1 379.460 4.083 20 0 GIADMO C[C@@H]1C[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccsc2)O1 ZINC000120719822 823052104 /nfs/dbraw/zinc/05/21/04/823052104.db2.gz ULTPFYVZUDNTPL-CRAIPNDOSA-N 1 1 380.554 4.157 20 0 GIADMO CC(C)(C)c1ccc(-c2ccc(C(=O)N3CC[NH+](C4CCOCC4)CC3)o2)cc1 ZINC000175848477 823054524 /nfs/dbraw/zinc/05/45/24/823054524.db2.gz SIMJNHHPBKDPIL-UHFFFAOYSA-N 1 1 396.531 4.181 20 0 GIADMO CN(CCCn1ccnc1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000120740556 823055234 /nfs/dbraw/zinc/05/52/34/823055234.db2.gz QCTCDVWOAVNJDI-UHFFFAOYSA-N 1 1 383.540 4.202 20 0 GIADMO O=C(c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1)N1CCCC1 ZINC000175850065 823055268 /nfs/dbraw/zinc/05/52/68/823055268.db2.gz FMJYJZHERYYXJD-VQTJNVASSA-N 1 1 384.545 4.072 20 0 GIADMO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)CCC2CCOCC2)c2cccs2)cc1 ZINC000120743695 823055745 /nfs/dbraw/zinc/05/57/45/823055745.db2.gz ABUFFOSZFHDURF-JOCHJYFZSA-N 1 1 386.561 4.011 20 0 GIADMO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000175851938 823055813 /nfs/dbraw/zinc/05/58/13/823055813.db2.gz GGLHCWDHAMJACF-MSOLQXFVSA-N 1 1 394.581 4.283 20 0 GIADMO Cc1ncc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000570584932 823057581 /nfs/dbraw/zinc/05/75/81/823057581.db2.gz AMVYWCZQHKTBIR-HAYQSNGGSA-N 1 1 399.926 4.174 20 0 GIADMO C[N@@H+]1CC[C@@H](NC(=O)NC2CCC(C(F)F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000458570427 823057634 /nfs/dbraw/zinc/05/76/34/823057634.db2.gz CNLDFNREDYDALL-OKEQZYBDSA-N 1 1 385.886 4.208 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)NC2CCC(C(F)F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000458570427 823057640 /nfs/dbraw/zinc/05/76/40/823057640.db2.gz CNLDFNREDYDALL-OKEQZYBDSA-N 1 1 385.886 4.208 20 0 GIADMO FC(F)Oc1c(Br)cccc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000570587468 823058080 /nfs/dbraw/zinc/05/80/80/823058080.db2.gz HFYHMGMFPNJSAB-OAHLLOKOSA-N 1 1 384.220 4.412 20 0 GIADMO O=C(CC[N@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccccc1Br ZINC000570613106 823062215 /nfs/dbraw/zinc/06/22/15/823062215.db2.gz FASDUWXASYBLCK-QGZVFWFLSA-N 1 1 387.321 4.342 20 0 GIADMO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)oc1C ZINC000570614042 823062547 /nfs/dbraw/zinc/06/25/47/823062547.db2.gz GPJOMYYHODARGM-UHFFFAOYSA-N 1 1 391.309 4.053 20 0 GIADMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000055899655 823063729 /nfs/dbraw/zinc/06/37/29/823063729.db2.gz RLWXJOSAEVXGKH-AWEZNQCLSA-N 1 1 385.558 4.326 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCc3sccc3C2)cc1 ZINC000055899726 823063792 /nfs/dbraw/zinc/06/37/92/823063792.db2.gz VGTKUAGAGMMPLI-FQEVSTJZSA-N 1 1 384.545 4.259 20 0 GIADMO COC[C@@H](C)n1ccc(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000187456558 823067006 /nfs/dbraw/zinc/06/70/06/823067006.db2.gz AMPQGQKKNDSBEZ-QGZVFWFLSA-N 1 1 399.539 4.499 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cccc(C(C)(C)C)c3)CC2)oc1C ZINC000570652742 823067146 /nfs/dbraw/zinc/06/71/46/823067146.db2.gz SCDMVLWAGOUDIO-UHFFFAOYSA-N 1 1 383.536 4.231 20 0 GIADMO C[C@H](NC(=O)N1CCC[C@H]1c1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458632438 823067268 /nfs/dbraw/zinc/06/72/68/823067268.db2.gz NLHAAAKGNMBMBD-QYWGDWMGSA-N 1 1 391.506 4.464 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458638198 823068028 /nfs/dbraw/zinc/06/80/28/823068028.db2.gz SYCFWHDNIDQVBA-RVSPLBMKSA-N 1 1 395.469 4.043 20 0 GIADMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000570660246 823068406 /nfs/dbraw/zinc/06/84/06/823068406.db2.gz APKBOFQMSABWHW-HNJNHCNJSA-N 1 1 385.335 4.193 20 0 GIADMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000570660246 823068408 /nfs/dbraw/zinc/06/84/08/823068408.db2.gz APKBOFQMSABWHW-HNJNHCNJSA-N 1 1 385.335 4.193 20 0 GIADMO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)CN1CCN(C)CC1 ZINC000120817501 823070379 /nfs/dbraw/zinc/07/03/79/823070379.db2.gz FFBWTEYFPYJGEB-OLZOCXBDSA-N 1 1 378.775 4.181 20 0 GIADMO C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000120817645 823070429 /nfs/dbraw/zinc/07/04/29/823070429.db2.gz FFBWTEYFPYJGEB-QWHCGFSZSA-N 1 1 378.775 4.181 20 0 GIADMO CCSc1cc(CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccn1 ZINC000187497088 823075106 /nfs/dbraw/zinc/07/51/06/823075106.db2.gz IQOGLZBAZKFWFR-HNNXBMFYSA-N 1 1 395.532 4.248 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3c(F)cccc3Cl)c2)CCO1 ZINC000570715884 823075145 /nfs/dbraw/zinc/07/51/45/823075145.db2.gz SNLDFIKXHLBNSJ-CQSZACIVSA-N 1 1 391.874 4.022 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3c(F)cccc3Cl)c2)CCO1 ZINC000570715884 823075150 /nfs/dbraw/zinc/07/51/50/823075150.db2.gz SNLDFIKXHLBNSJ-CQSZACIVSA-N 1 1 391.874 4.022 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000570740366 823079013 /nfs/dbraw/zinc/07/90/13/823079013.db2.gz CCHJDZAMHMYQPP-ZFWWWQNUSA-N 1 1 392.544 4.347 20 0 GIADMO COc1ccc(-c2ccc(C)c(NC(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)c2)cn1 ZINC000570742868 823079265 /nfs/dbraw/zinc/07/92/65/823079265.db2.gz IMOASAOAVDDGQG-GOSISDBHSA-N 1 1 396.535 4.165 20 0 GIADMO CCOc1ccc(CCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000056016657 823079290 /nfs/dbraw/zinc/07/92/90/823079290.db2.gz AUQPZGRUIRFWOA-RTBURBONSA-N 1 1 396.531 4.266 20 0 GIADMO C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1)CN1CCN(C)CC1 ZINC000120874905 823080712 /nfs/dbraw/zinc/08/07/12/823080712.db2.gz VDRZHQQGAGOMFR-IAGOWNOFSA-N 1 1 375.557 4.088 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000056039383 823080990 /nfs/dbraw/zinc/08/09/90/823080990.db2.gz YAPLQPMULKNVHK-UHFFFAOYSA-N 1 1 379.287 4.120 20 0 GIADMO COc1ccc([C@H](C)CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000175952577 823081072 /nfs/dbraw/zinc/08/10/72/823081072.db2.gz PMWLSMZZVNCMJO-QZTJIDSGSA-N 1 1 386.561 4.279 20 0 GIADMO COc1ccc([C@@H](C)CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000175952557 823081078 /nfs/dbraw/zinc/08/10/78/823081078.db2.gz PMWLSMZZVNCMJO-ZWKOTPCHSA-N 1 1 386.561 4.279 20 0 GIADMO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000120885540 823082143 /nfs/dbraw/zinc/08/21/43/823082143.db2.gz AIHZEDUHZHPORE-INIZCTEOSA-N 1 1 379.508 4.055 20 0 GIADMO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000120885540 823082149 /nfs/dbraw/zinc/08/21/49/823082149.db2.gz AIHZEDUHZHPORE-INIZCTEOSA-N 1 1 379.508 4.055 20 0 GIADMO CCOc1ccc(CCC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000570766686 823084104 /nfs/dbraw/zinc/08/41/04/823084104.db2.gz VEWQBZROWVYBGP-HSZRJFAPSA-N 1 1 394.559 4.436 20 0 GIADMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ncc(Br)cc1F ZINC000187535969 823084326 /nfs/dbraw/zinc/08/43/26/823084326.db2.gz RFEWNOBBXXOBQE-MELADBBJSA-N 1 1 384.337 4.287 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)[C@@H]1c1cccs1 ZINC000175970704 823084936 /nfs/dbraw/zinc/08/49/36/823084936.db2.gz UGNHJYBRJWVMRD-GUBFDYSESA-N 1 1 380.557 4.151 20 0 GIADMO C[C@@H]1CN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000458784273 823085054 /nfs/dbraw/zinc/08/50/54/823085054.db2.gz XLQYCPCKHKLRBQ-NLGAHDLLSA-N 1 1 375.944 4.304 20 0 GIADMO Cc1cc(C)c(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1Br ZINC000187543384 823086000 /nfs/dbraw/zinc/08/60/00/823086000.db2.gz XXTAYOXPQGELHB-OAHLLOKOSA-N 1 1 380.286 4.083 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)C3(c4cccc(Cl)c4)CCC3)sc2C1 ZINC000120933125 823088814 /nfs/dbraw/zinc/08/88/14/823088814.db2.gz GHJMVEZHQUDKPC-UHFFFAOYSA-N 1 1 375.925 4.235 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)C3(c4cccc(Cl)c4)CCC3)sc2C1 ZINC000120933125 823088817 /nfs/dbraw/zinc/08/88/17/823088817.db2.gz GHJMVEZHQUDKPC-UHFFFAOYSA-N 1 1 375.925 4.235 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000175986404 823089032 /nfs/dbraw/zinc/08/90/32/823089032.db2.gz OOEKAQCDNNIGCA-AOMKIAJQSA-N 1 1 397.494 4.016 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000175986404 823089038 /nfs/dbraw/zinc/08/90/38/823089038.db2.gz OOEKAQCDNNIGCA-AOMKIAJQSA-N 1 1 397.494 4.016 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H](c3nccn3C)C2)on1 ZINC000570812846 823090524 /nfs/dbraw/zinc/09/05/24/823090524.db2.gz KKDGWFYCKSIBEB-KRWDZBQOSA-N 1 1 388.471 4.226 20 0 GIADMO c1[nH]c(-c2ccccc2)nc1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000175995072 823091076 /nfs/dbraw/zinc/09/10/76/823091076.db2.gz XRRBNDNSDGKCMK-UHFFFAOYSA-N 1 1 375.501 4.318 20 0 GIADMO C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(-n2cccn2)c(F)c1 ZINC000570819527 823091360 /nfs/dbraw/zinc/09/13/60/823091360.db2.gz KVEORIHJXRRZJD-AWEZNQCLSA-N 1 1 379.464 4.381 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccccc2Br)cc1NC(C)=O ZINC000120951048 823091630 /nfs/dbraw/zinc/09/16/30/823091630.db2.gz ZWJKXDGOYRIOTB-LBPRGKRZSA-N 1 1 377.282 4.267 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000187579381 823092058 /nfs/dbraw/zinc/09/20/58/823092058.db2.gz RSMHYUNXVNAEEB-SJCJKPOMSA-N 1 1 392.849 4.170 20 0 GIADMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000187579381 823092063 /nfs/dbraw/zinc/09/20/63/823092063.db2.gz RSMHYUNXVNAEEB-SJCJKPOMSA-N 1 1 392.849 4.170 20 0 GIADMO CCOc1cccc([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000570833749 823093167 /nfs/dbraw/zinc/09/31/67/823093167.db2.gz CTGNCUGIYOTPIH-IAOVAPTHSA-N 1 1 386.458 4.171 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000458830340 823093669 /nfs/dbraw/zinc/09/36/69/823093669.db2.gz CHYNDJXBYRLLPX-RPCCPQHDSA-N 1 1 384.351 4.221 20 0 GIADMO CCN(C(=O)NCCC1(COC)CCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000458830566 823093762 /nfs/dbraw/zinc/09/37/62/823093762.db2.gz NZSVGWARUCPIMK-CTNGQTDRSA-N 1 1 387.568 4.060 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458832744 823094196 /nfs/dbraw/zinc/09/41/96/823094196.db2.gz HRFYNXSYUYDDDH-ZDFLXESQSA-N 1 1 384.351 4.079 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458832741 823094342 /nfs/dbraw/zinc/09/43/42/823094342.db2.gz HRFYNXSYUYDDDH-UALQAHIBSA-N 1 1 384.351 4.079 20 0 GIADMO COc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000187593550 823094374 /nfs/dbraw/zinc/09/43/74/823094374.db2.gz VZMQKHUUHLELDP-OAHLLOKOSA-N 1 1 391.508 4.401 20 0 GIADMO C[C@H](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000120965743 823094449 /nfs/dbraw/zinc/09/44/49/823094449.db2.gz RKRZQHIBPSZYIH-VKJFTORMSA-N 1 1 385.474 4.181 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000570846238 823094832 /nfs/dbraw/zinc/09/48/32/823094832.db2.gz UEYRTBNBQOKZPL-QGZVFWFLSA-N 1 1 397.320 4.328 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000570846217 823094855 /nfs/dbraw/zinc/09/48/55/823094855.db2.gz UEYRTBNBQOKZPL-KRWDZBQOSA-N 1 1 397.320 4.328 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000187599022 823095372 /nfs/dbraw/zinc/09/53/72/823095372.db2.gz DXNWNXFFMQICJF-SFHVURJKSA-N 1 1 379.298 4.089 20 0 GIADMO O=C(NCC[C@H](c1ccccc1)C(F)(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000458837496 823095445 /nfs/dbraw/zinc/09/54/45/823095445.db2.gz GEMOJLLAQIOXIR-LJQANCHMSA-N 1 1 397.485 4.383 20 0 GIADMO Cc1csc(C(C)(C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000120974078 823095628 /nfs/dbraw/zinc/09/56/28/823095628.db2.gz LDQOKJMFNAMPQB-JKSUJKDBSA-N 1 1 392.956 4.085 20 0 GIADMO Cc1csc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000120974078 823095634 /nfs/dbraw/zinc/09/56/34/823095634.db2.gz LDQOKJMFNAMPQB-JKSUJKDBSA-N 1 1 392.956 4.085 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000176024642 823098588 /nfs/dbraw/zinc/09/85/88/823098588.db2.gz LBAOGVXUZYXSDI-FQEVSTJZSA-N 1 1 380.532 4.458 20 0 GIADMO Cc1ccc(CCCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000176027703 823099284 /nfs/dbraw/zinc/09/92/84/823099284.db2.gz WVBWGVMXWZUVAT-UHFFFAOYSA-N 1 1 392.515 4.438 20 0 GIADMO CC(F)(F)CCCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000458886360 823102084 /nfs/dbraw/zinc/10/20/84/823102084.db2.gz HFUQOFMNJZGCBM-UHFFFAOYSA-N 1 1 379.495 4.120 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cl)cc2F)[C@@H]1c1cccs1 ZINC000187644034 823104003 /nfs/dbraw/zinc/10/40/03/823104003.db2.gz PQPWAEBZBIGDMX-RDTXWAMCSA-N 1 1 395.931 4.423 20 0 GIADMO Cc1sc(CC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C(C)C ZINC000570896246 823104339 /nfs/dbraw/zinc/10/43/39/823104339.db2.gz KHKIIDHJDNUBLJ-LJQANCHMSA-N 1 1 385.577 4.098 20 0 GIADMO Cc1noc(COc2ccc(N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC000121024844 823104773 /nfs/dbraw/zinc/10/47/73/823104773.db2.gz SHMWFPJRZNWXKR-OXQOHEQNSA-N 1 1 378.476 4.032 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000570902493 823105298 /nfs/dbraw/zinc/10/52/98/823105298.db2.gz XBLVCTLJJXBJGJ-FXAWDEMLSA-N 1 1 395.551 4.110 20 0 GIADMO CCN(C(=O)NCC(C)(C)c1ccccn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000458915200 823105537 /nfs/dbraw/zinc/10/55/37/823105537.db2.gz CTNMMCDMPJLDBO-TZIWHRDSSA-N 1 1 394.563 4.226 20 0 GIADMO CSCC1CCC(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000458925135 823107183 /nfs/dbraw/zinc/10/71/83/823107183.db2.gz CAHTUPDCTKVWGX-NYLDSWQDSA-N 1 1 389.609 4.072 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000187664516 823108769 /nfs/dbraw/zinc/10/87/69/823108769.db2.gz CPVXXZWYRGABNM-KRWDZBQOSA-N 1 1 398.528 4.371 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)[nH+]c1 ZINC000176062353 823110058 /nfs/dbraw/zinc/11/00/58/823110058.db2.gz JDNGRVPHQKNVIT-UHFFFAOYSA-N 1 1 396.388 4.338 20 0 GIADMO c1c2c(sc1-c1nnc(C[N@@H+]3CCCN(c4ccccc4)CC3)o1)CCCC2 ZINC000121060521 823111148 /nfs/dbraw/zinc/11/11/48/823111148.db2.gz DQUIBEGXOVVEFE-UHFFFAOYSA-N 1 1 394.544 4.389 20 0 GIADMO c1c2c(sc1-c1nnc(C[N@H+]3CCCN(c4ccccc4)CC3)o1)CCCC2 ZINC000121060521 823111152 /nfs/dbraw/zinc/11/11/52/823111152.db2.gz DQUIBEGXOVVEFE-UHFFFAOYSA-N 1 1 394.544 4.389 20 0 GIADMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(F)c2ccccc21 ZINC000570960850 823112237 /nfs/dbraw/zinc/11/22/37/823112237.db2.gz JQDQVZDPKOVNRJ-HKUYNNGSSA-N 1 1 391.490 4.463 20 0 GIADMO C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000176072720 823112907 /nfs/dbraw/zinc/11/29/07/823112907.db2.gz CPVIHZJNDCYRNE-AZUAARDMSA-N 1 1 397.563 4.294 20 0 GIADMO C[C@H](c1cccc(O)c1)N(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458981333 823112982 /nfs/dbraw/zinc/11/29/82/823112982.db2.gz UCHVZCLPLCTCGK-GOSISDBHSA-N 1 1 381.520 4.149 20 0 GIADMO CCC[N@H+](Cc1csc(N(C(C)=O)C2CC2)n1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121072569 823113204 /nfs/dbraw/zinc/11/32/04/823113204.db2.gz KKOSJOHQICFHGT-MSOLQXFVSA-N 1 1 379.570 4.074 20 0 GIADMO CCC[N@@H+](Cc1csc(N(C(C)=O)C2CC2)n1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121072569 823113207 /nfs/dbraw/zinc/11/32/07/823113207.db2.gz KKOSJOHQICFHGT-MSOLQXFVSA-N 1 1 379.570 4.074 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000570970695 823113569 /nfs/dbraw/zinc/11/35/69/823113569.db2.gz PUFHLMARVAHWBO-RBUKOAKNSA-N 1 1 399.604 4.400 20 0 GIADMO CCN(C(=O)NCCCc1ncccc1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459000639 823115004 /nfs/dbraw/zinc/11/50/04/823115004.db2.gz ZPPRUGKPKTUKHC-UNMCSNQZSA-N 1 1 394.563 4.190 20 0 GIADMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1NC(=O)c1cccs1 ZINC000121084418 823115444 /nfs/dbraw/zinc/11/54/44/823115444.db2.gz WWIYQEMCYCMLHV-QGZVFWFLSA-N 1 1 399.560 4.159 20 0 GIADMO COc1cnccc1[C@@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000187700806 823115597 /nfs/dbraw/zinc/11/55/97/823115597.db2.gz GVJKYABZVLSTKF-MRXNPFEDSA-N 1 1 393.491 4.341 20 0 GIADMO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000121089730 823116366 /nfs/dbraw/zinc/11/63/66/823116366.db2.gz AFIWMXQYOALKAT-AWEZNQCLSA-N 1 1 396.373 4.019 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000187706272 823116855 /nfs/dbraw/zinc/11/68/55/823116855.db2.gz 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Cc1nc(C[NH+]2CCC(CNC(=O)Nc3c(F)cccc3Cl)CC2)oc1C ZINC000571043850 823124599 /nfs/dbraw/zinc/12/45/99/823124599.db2.gz URLFGWVBCPCZGR-UHFFFAOYSA-N 1 1 394.878 4.118 20 0 GIADMO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000459070427 823123587 /nfs/dbraw/zinc/12/35/87/823123587.db2.gz YBFSIOLNULCJRF-OTYNDTSQSA-N 1 1 375.532 4.050 20 0 GIADMO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+](C)CCC2CCOCC2)n1 ZINC000121161657 823130075 /nfs/dbraw/zinc/13/00/75/823130075.db2.gz WYYATYKVBZNSSN-UHFFFAOYSA-N 1 1 383.323 4.266 20 0 GIADMO C[C@@H](c1ccc(NCCC(=O)Nc2ccc(Cl)cc2)cc1)[NH+]1CCOCC1 ZINC000571075129 823128485 /nfs/dbraw/zinc/12/84/85/823128485.db2.gz KGINKQRMAFLPIH-INIZCTEOSA-N 1 1 387.911 4.174 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]nc1-c1ccsc1 ZINC000187767576 823128644 /nfs/dbraw/zinc/12/86/44/823128644.db2.gz NTIDPMRBTGHDAI-GOSISDBHSA-N 1 1 394.544 4.122 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Cc2csc(C(C)(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000176124781 823128931 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396.354 4.106 20 0 GIADMO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000121190036 823135400 /nfs/dbraw/zinc/13/54/00/823135400.db2.gz JATVNKPPOMPZLH-CYBMUJFWSA-N 1 1 396.354 4.106 20 0 GIADMO CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H](C)Cc1ccsc1 ZINC000187782394 823131982 /nfs/dbraw/zinc/13/19/82/823131982.db2.gz JJXWTOMMTDASNA-CQSZACIVSA-N 1 1 385.558 4.424 20 0 GIADMO CCOc1cc(CN[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(Br)c1O ZINC000571111873 823133937 /nfs/dbraw/zinc/13/39/37/823133937.db2.gz BNDUHTLMAAQARA-ZNMIVQPWSA-N 1 1 399.373 4.009 20 0 GIADMO CCOc1cc(C[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc(Br)c1O ZINC000571111873 823133938 /nfs/dbraw/zinc/13/39/38/823133938.db2.gz BNDUHTLMAAQARA-ZNMIVQPWSA-N 1 1 399.373 4.009 20 0 GIADMO CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459151624 823135706 /nfs/dbraw/zinc/13/57/06/823135706.db2.gz IIGSXNXSQNBEIK-UHFFFAOYSA-N 1 1 385.474 4.500 20 0 GIADMO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459155567 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GMXAWPWRWQCCTD-HNNXBMFYSA-N 1 1 397.544 4.454 20 0 GIADMO CC[C@H](C)[N@H+](Cc1ccc(SC)c(OC)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121221558 823141620 /nfs/dbraw/zinc/14/16/20/823141620.db2.gz GMXAWPWRWQCCTD-HNNXBMFYSA-N 1 1 397.544 4.454 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1F)[N@@H+]1CCc2sccc2C1 ZINC000056394239 823142251 /nfs/dbraw/zinc/14/22/51/823142251.db2.gz FNMVMMYTBXEZEO-HUUCEWRRSA-N 1 1 375.513 4.036 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1F)[N@H+]1CCc2sccc2C1 ZINC000056394239 823142257 /nfs/dbraw/zinc/14/22/57/823142257.db2.gz FNMVMMYTBXEZEO-HUUCEWRRSA-N 1 1 375.513 4.036 20 0 GIADMO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000121241344 823145811 /nfs/dbraw/zinc/14/58/11/823145811.db2.gz LICXNQOWXPVZRE-CVEARBPZSA-N 1 1 392.638 4.104 20 0 GIADMO Fc1ccc2nc(C[N@@H+]3CCCN(c4ccc(F)c(F)c4)CC3)sc2c1 ZINC000571185815 823145416 /nfs/dbraw/zinc/14/54/16/823145416.db2.gz FPEGLDAIDUIRQZ-UHFFFAOYSA-N 1 1 377.435 4.426 20 0 GIADMO Fc1ccc2nc(C[N@H+]3CCCN(c4ccc(F)c(F)c4)CC3)sc2c1 ZINC000571185815 823145419 /nfs/dbraw/zinc/14/54/19/823145419.db2.gz FPEGLDAIDUIRQZ-UHFFFAOYSA-N 1 1 377.435 4.426 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1OCC(F)(F)F ZINC000121243615 823146105 /nfs/dbraw/zinc/14/61/05/823146105.db2.gz DAVIBEUNCQYEET-HNNXBMFYSA-N 1 1 383.414 4.129 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1COc2ccccc21 ZINC000571197360 823147146 /nfs/dbraw/zinc/14/71/46/823147146.db2.gz WPXMANAIEKDBIM-RXVVDRJESA-N 1 1 393.531 4.036 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2nc3ccccc3s2)cc1 ZINC000121250124 823147468 /nfs/dbraw/zinc/14/74/68/823147468.db2.gz GHQNEGSBSQHMOO-CQSZACIVSA-N 1 1 391.500 4.351 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1 ZINC000176187712 823148157 /nfs/dbraw/zinc/14/81/57/823148157.db2.gz RHDLFKJRNLXWRX-KBPBESRZSA-N 1 1 385.414 4.104 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000176188693 823148423 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ZINC000571336468 823166961 /nfs/dbraw/zinc/16/69/61/823166961.db2.gz IJQBHHRVOMRXCF-LJQANCHMSA-N 1 1 397.519 4.128 20 0 GIADMO COCCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000571347511 823168656 /nfs/dbraw/zinc/16/86/56/823168656.db2.gz ZYGJAUIUOCNMDJ-AWEZNQCLSA-N 1 1 379.298 4.029 20 0 GIADMO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)ccc1O ZINC000459354646 823169485 /nfs/dbraw/zinc/16/94/85/823169485.db2.gz JHLOPIDOIIXQLD-IRXDYDNUSA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)ccc1O ZINC000459354646 823169491 /nfs/dbraw/zinc/16/94/91/823169491.db2.gz JHLOPIDOIIXQLD-IRXDYDNUSA-N 1 1 381.394 4.118 20 0 GIADMO CC[N@@H+](Cc1cnc(C2CC2)nc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000459354960 823169845 /nfs/dbraw/zinc/16/98/45/823169845.db2.gz TUHDGPPGTGLXJD-UHFFFAOYSA-N 1 1 394.567 4.067 20 0 GIADMO Clc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000459359437 823171028 /nfs/dbraw/zinc/17/10/28/823171028.db2.gz BUKXLLVQHSYXHI-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO Clc1cc(Br)cc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000459359437 823171032 /nfs/dbraw/zinc/17/10/32/823171032.db2.gz BUKXLLVQHSYXHI-ZDUSSCGKSA-N 1 1 395.732 4.409 20 0 GIADMO Clc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000459359746 823171260 /nfs/dbraw/zinc/17/12/60/823171260.db2.gz XWWZBHUIZHTRCJ-CYBMUJFWSA-N 1 1 395.732 4.020 20 0 GIADMO Clc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000459359746 823171263 /nfs/dbraw/zinc/17/12/63/823171263.db2.gz XWWZBHUIZHTRCJ-CYBMUJFWSA-N 1 1 395.732 4.020 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)NC[C@H](C)Cn3cc[nH+]c3C)c2)cc1 ZINC000176293957 823174697 /nfs/dbraw/zinc/17/46/97/823174697.db2.gz NOYPJCNBDYYDEY-HNNXBMFYSA-N 1 1 398.532 4.064 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+]3C[C@@H](c4ccc(F)cc4)C[C@H]3C)cc(=O)oc2c1 ZINC000121384569 823175013 /nfs/dbraw/zinc/17/50/13/823175013.db2.gz BWNXDUSQFCQZRA-PBHICJAKSA-N 1 1 394.446 4.269 20 0 GIADMO Cc1cc(C(F)(F)F)ccc1CNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000571390216 823176403 /nfs/dbraw/zinc/17/64/03/823176403.db2.gz IYRDOWCBKSBSGX-UHFFFAOYSA-N 1 1 397.441 4.270 20 0 GIADMO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376155 823176453 /nfs/dbraw/zinc/17/64/53/823176453.db2.gz NRHRXTDCZIYIIY-PGRDOPGGSA-N 1 1 381.568 4.222 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376155 823176458 /nfs/dbraw/zinc/17/64/58/823176458.db2.gz NRHRXTDCZIYIIY-PGRDOPGGSA-N 1 1 381.568 4.222 20 0 GIADMO CCN1CC[C@@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376155 823176463 /nfs/dbraw/zinc/17/64/63/823176463.db2.gz NRHRXTDCZIYIIY-PGRDOPGGSA-N 1 1 381.568 4.222 20 0 GIADMO CCN1CC[C@@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376155 823176467 /nfs/dbraw/zinc/17/64/67/823176467.db2.gz NRHRXTDCZIYIIY-PGRDOPGGSA-N 1 1 381.568 4.222 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)cn1 ZINC000056601972 823178380 /nfs/dbraw/zinc/17/83/80/823178380.db2.gz FFVABJAUQYBONU-UHFFFAOYSA-N 1 1 391.475 4.219 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CCC(C)(c4ccccc4)CC3)CC2)[nH+]c1 ZINC000121431566 823183128 /nfs/dbraw/zinc/18/31/28/823183128.db2.gz LRCPIOMNLXNSRT-UHFFFAOYSA-N 1 1 392.547 4.122 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000571442833 823183211 /nfs/dbraw/zinc/18/32/11/823183211.db2.gz WWNYSEKFZRCALM-HNNXBMFYSA-N 1 1 385.512 4.164 20 0 GIADMO C[N@H+]1CCC[C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000188070007 823181575 /nfs/dbraw/zinc/18/15/75/823181575.db2.gz DKQAGQBOHCRTET-LSTHTHJFSA-N 1 1 384.524 4.372 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](c3cccnc3)C2)cc1 ZINC000571436147 823182500 /nfs/dbraw/zinc/18/25/00/823182500.db2.gz QZUDIXUWXYDGNF-CVDCTZTESA-N 1 1 392.547 4.155 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](c3cccnc3)C2)cc1 ZINC000571436148 823182633 /nfs/dbraw/zinc/18/26/33/823182633.db2.gz QZUDIXUWXYDGNF-WMZHIEFXSA-N 1 1 392.547 4.155 20 0 GIADMO CCOC[C@H]1CC[N@@H+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000176327007 823182692 /nfs/dbraw/zinc/18/26/92/823182692.db2.gz AQUDPPMVGZYKJJ-ZDUSSCGKSA-N 1 1 381.339 4.431 20 0 GIADMO OCC[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H]1CCc2ccccc21 ZINC000121435057 823183739 /nfs/dbraw/zinc/18/37/39/823183739.db2.gz ZYVRITXBNHSQON-GOSISDBHSA-N 1 1 395.528 4.159 20 0 GIADMO OCC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H]1CCc2ccccc21 ZINC000121435057 823183743 /nfs/dbraw/zinc/18/37/43/823183743.db2.gz ZYVRITXBNHSQON-GOSISDBHSA-N 1 1 395.528 4.159 20 0 GIADMO CC(C)n1cnnc1-c1ccccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C ZINC000176330333 823183774 /nfs/dbraw/zinc/18/37/74/823183774.db2.gz SCAGXPTUTLELPF-ZWKOTPCHSA-N 1 1 396.539 4.005 20 0 GIADMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000121435911 823184180 /nfs/dbraw/zinc/18/41/80/823184180.db2.gz PJWUSAATSDMRTO-HIFRSBDPSA-N 1 1 378.394 4.244 20 0 GIADMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(=O)Nc1ccccc1OC(F)F ZINC000121435911 823184185 /nfs/dbraw/zinc/18/41/85/823184185.db2.gz PJWUSAATSDMRTO-HIFRSBDPSA-N 1 1 378.394 4.244 20 0 GIADMO C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000459402861 823185242 /nfs/dbraw/zinc/18/52/42/823185242.db2.gz NVDMDQIUFYXBEA-SFTDATJTSA-N 1 1 393.462 4.340 20 0 GIADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC000571454552 823185339 /nfs/dbraw/zinc/18/53/39/823185339.db2.gz ONVAJNUNBROPGT-CYBMUJFWSA-N 1 1 395.519 4.212 20 0 GIADMO COCCCOC1CC[NH+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000121444911 823185790 /nfs/dbraw/zinc/18/57/90/823185790.db2.gz BTEYCMIKDIIRLX-UHFFFAOYSA-N 1 1 378.900 4.321 20 0 GIADMO Cc1nn(C)c2cc(NC(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)ccc12 ZINC000571463523 823186312 /nfs/dbraw/zinc/18/63/12/823186312.db2.gz SXTIPJUZTDJPIO-QGZVFWFLSA-N 1 1 397.567 4.390 20 0 GIADMO C[N@@H+]1CC[C@H](N[C@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466601 823187147 /nfs/dbraw/zinc/18/71/47/823187147.db2.gz BUINKQLJNWEWIH-RBZQAINGSA-N 1 1 387.527 4.015 20 0 GIADMO C[N@H+]1CC[C@H](N[C@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466601 823187148 /nfs/dbraw/zinc/18/71/48/823187148.db2.gz BUINKQLJNWEWIH-RBZQAINGSA-N 1 1 387.527 4.015 20 0 GIADMO C[N@@H+]1CC[C@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466600 823187153 /nfs/dbraw/zinc/18/71/53/823187153.db2.gz BUINKQLJNWEWIH-KMDXXIMOSA-N 1 1 387.527 4.015 20 0 GIADMO C[N@H+]1CC[C@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000571466600 823187154 /nfs/dbraw/zinc/18/71/54/823187154.db2.gz BUINKQLJNWEWIH-KMDXXIMOSA-N 1 1 387.527 4.015 20 0 GIADMO CCN(C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1cccc(OC)c1 ZINC000459413803 823187402 /nfs/dbraw/zinc/18/74/02/823187402.db2.gz RIJRUXUQSPJTDI-KRWDZBQOSA-N 1 1 383.492 4.147 20 0 GIADMO C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1sccc1Br ZINC000571468871 823187446 /nfs/dbraw/zinc/18/74/46/823187446.db2.gz WYKSZAUOKPHJFX-SWLSCSKDSA-N 1 1 381.339 4.381 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000056639499 823187742 /nfs/dbraw/zinc/18/77/42/823187742.db2.gz DINFKXPDEHMBJQ-UHFFFAOYSA-N 1 1 379.464 4.207 20 0 GIADMO CCOC[C@@H]1CC[N@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000176345214 823188204 /nfs/dbraw/zinc/18/82/04/823188204.db2.gz MDYZIHOSOXOYMF-GCJKJVERSA-N 1 1 382.504 4.042 20 0 GIADMO C[C@H](C[N@H+](CCN(C)C)Cc1ccccn1)c1cccc(Br)c1 ZINC000571483593 823189599 /nfs/dbraw/zinc/18/95/99/823189599.db2.gz GKBXECUFJLLZNN-MRXNPFEDSA-N 1 1 376.342 4.011 20 0 GIADMO C[C@H](C[N@@H+](CCN(C)C)Cc1ccccn1)c1cccc(Br)c1 ZINC000571483593 823189602 /nfs/dbraw/zinc/18/96/02/823189602.db2.gz GKBXECUFJLLZNN-MRXNPFEDSA-N 1 1 376.342 4.011 20 0 GIADMO C[C@H](c1ccc(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000176352156 823189669 /nfs/dbraw/zinc/18/96/69/823189669.db2.gz FEWIEDZCESIVOA-CEXWTWQISA-N 1 1 381.520 4.394 20 0 GIADMO CCC1(CC)Oc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3C)cc2O1 ZINC000188120551 823189712 /nfs/dbraw/zinc/18/97/12/823189712.db2.gz ZFUWRRICUPIGHL-QGZVFWFLSA-N 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Cc1ccc(C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c2ccccn2)cc1 ZINC000122461793 823357796 /nfs/dbraw/zinc/35/77/96/823357796.db2.gz MLUBFPPCUQYNBL-WMZHIEFXSA-N 1 1 394.540 4.126 20 0 GIADMO Cc1ccc(C[C@@H]([NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c2ccccn2)cc1 ZINC000122462210 823357936 /nfs/dbraw/zinc/35/79/36/823357936.db2.gz MLUBFPPCUQYNBL-AUSIDOKSSA-N 1 1 394.540 4.126 20 0 GIADMO CC(C)(CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccs1 ZINC000460340088 823358240 /nfs/dbraw/zinc/35/82/40/823358240.db2.gz GQSANJZRMMWYRJ-WOJBJXKFSA-N 1 1 397.588 4.189 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1 ZINC000572547897 823358628 /nfs/dbraw/zinc/35/86/28/823358628.db2.gz KDDMCBWGIRANSM-QGZVFWFLSA-N 1 1 387.474 4.121 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1 ZINC000572547897 823358635 /nfs/dbraw/zinc/35/86/35/823358635.db2.gz KDDMCBWGIRANSM-QGZVFWFLSA-N 1 1 387.474 4.121 20 0 GIADMO O=C(CCCOc1cccc(F)c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000572549165 823358892 /nfs/dbraw/zinc/35/88/92/823358892.db2.gz KCZMAGZVLKXBLG-XMMPIXPASA-N 1 1 396.506 4.109 20 0 GIADMO O=C(c1ccccc1)N1CCC[N@@H+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000122472095 823359360 /nfs/dbraw/zinc/35/93/60/823359360.db2.gz LAGWEGSSFRGOMM-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000122472095 823359367 /nfs/dbraw/zinc/35/93/67/823359367.db2.gz LAGWEGSSFRGOMM-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO Cc1ccc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1OC(F)F ZINC000572553559 823359864 /nfs/dbraw/zinc/35/98/64/823359864.db2.gz ORVYLIPPXDJKQS-HNNXBMFYSA-N 1 1 377.435 4.238 20 0 GIADMO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1 ZINC000122475408 823359879 /nfs/dbraw/zinc/35/98/79/823359879.db2.gz BRVXFHFPDBZGEZ-KBPBESRZSA-N 1 1 380.485 4.008 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000058074988 823360025 /nfs/dbraw/zinc/36/00/25/823360025.db2.gz FGRGRFJFBJMXKA-UHFFFAOYSA-N 1 1 390.487 4.363 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C[C@@H](C)c3c(C)noc3C)C2)s1 ZINC000572556192 823360088 /nfs/dbraw/zinc/36/00/88/823360088.db2.gz AXBIQTRAIHYEJQ-RDTXWAMCSA-N 1 1 389.565 4.135 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1OCC ZINC000409978302 823360589 /nfs/dbraw/zinc/36/05/89/823360589.db2.gz QAFZRCBERCKBGL-MRXNPFEDSA-N 1 1 396.959 4.378 20 0 GIADMO CS[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)C[C@H]1N1CCCC1 ZINC000460354079 823362093 /nfs/dbraw/zinc/36/20/93/823362093.db2.gz SATAXRKPQXEWRA-DHIUTWEWSA-N 1 1 396.600 4.304 20 0 GIADMO CS[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)C[C@H]1N1CCCC1 ZINC000460354079 823362100 /nfs/dbraw/zinc/36/21/00/823362100.db2.gz SATAXRKPQXEWRA-DHIUTWEWSA-N 1 1 396.600 4.304 20 0 GIADMO Cc1csc2nc(C[NH2+][C@@H](c3ccccc3)c3cccc(F)c3)cc(=O)n12 ZINC000122490686 823362287 /nfs/dbraw/zinc/36/22/87/823362287.db2.gz JOULTYCFEPKJQC-FQEVSTJZSA-N 1 1 379.460 4.083 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000460366025 823365027 /nfs/dbraw/zinc/36/50/27/823365027.db2.gz PZYFIEHKFWUWQD-JXFKEZNVSA-N 1 1 388.943 4.244 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000460367389 823365342 /nfs/dbraw/zinc/36/53/42/823365342.db2.gz VUNJXZKTDSUJTO-HJPURHCSSA-N 1 1 376.479 4.478 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000460367389 823365349 /nfs/dbraw/zinc/36/53/49/823365349.db2.gz VUNJXZKTDSUJTO-HJPURHCSSA-N 1 1 376.479 4.478 20 0 GIADMO CCN(C(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1)c1nc2ccccc2s1 ZINC000460366549 823365434 /nfs/dbraw/zinc/36/54/34/823365434.db2.gz YUDPQNIUORNNAF-MAUKXSAKSA-N 1 1 380.517 4.127 20 0 GIADMO CCN(C(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1)c1nc2ccccc2s1 ZINC000460366549 823365435 /nfs/dbraw/zinc/36/54/35/823365435.db2.gz YUDPQNIUORNNAF-MAUKXSAKSA-N 1 1 380.517 4.127 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000189152033 823366068 /nfs/dbraw/zinc/36/60/68/823366068.db2.gz GHQVPLFTZOQRBP-CYBMUJFWSA-N 1 1 394.313 4.045 20 0 GIADMO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)s2)[NH+]2CCCCC2)cc1 ZINC000022685596 818843806 /nfs/dbraw/zinc/84/38/06/818843806.db2.gz FUKKRLDHNVNXHU-MRXNPFEDSA-N 1 1 378.925 4.367 20 0 GIADMO O=c1cc(C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)nc2ccc(Cl)cn12 ZINC000122561522 823373051 /nfs/dbraw/zinc/37/30/51/823373051.db2.gz GOVGETLCRBODNM-QFIPXVFZSA-N 1 1 393.849 4.366 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](CCCO)c2ccccc2)cc1 ZINC000122534581 823368449 /nfs/dbraw/zinc/36/84/49/823368449.db2.gz NTXFJYRSEMFTHZ-VGOFRKELSA-N 1 1 392.503 4.055 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000460390934 823373657 /nfs/dbraw/zinc/37/36/57/823373657.db2.gz WVVFXWVXMVQXRJ-UHFFFAOYSA-N 1 1 393.373 4.269 20 0 GIADMO CCCC[N@H+](C)CC1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000460390934 823373662 /nfs/dbraw/zinc/37/36/62/823373662.db2.gz WVVFXWVXMVQXRJ-UHFFFAOYSA-N 1 1 393.373 4.269 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000460390934 823373665 /nfs/dbraw/zinc/37/36/65/823373665.db2.gz WVVFXWVXMVQXRJ-UHFFFAOYSA-N 1 1 393.373 4.269 20 0 GIADMO Cc1cccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccccc4C)CC3)o2)c1 ZINC000022775308 818859442 /nfs/dbraw/zinc/85/94/42/818859442.db2.gz SGUUZAVARNWWFS-IBGZPJMESA-N 1 1 376.504 4.232 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(Br)cc2)c(OC)c1 ZINC000022783601 818860266 /nfs/dbraw/zinc/86/02/66/818860266.db2.gz GCKHHEPDHQGOHS-LBPRGKRZSA-N 1 1 380.282 4.326 20 0 GIADMO CN(CC1CCCC1)Cn1nc(C[NH+]2CCCC2)n(-c2ccccc2)c1=S ZINC000058207503 823369247 /nfs/dbraw/zinc/36/92/47/823369247.db2.gz GZIBHQRNHVPFQL-UHFFFAOYSA-N 1 1 385.581 4.079 20 0 GIADMO CN(C(=O)c1cnccc1Oc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000410005740 823369527 /nfs/dbraw/zinc/36/95/27/823369527.db2.gz UJCLNAHPIKSAHS-FQEVSTJZSA-N 1 1 387.483 4.220 20 0 GIADMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000189170892 823369564 /nfs/dbraw/zinc/36/95/64/823369564.db2.gz UUWXLYMWUAAPJR-UHFFFAOYSA-N 1 1 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S=c1n(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)nc(-c2cccnc2)n1C1CC1 ZINC000026236721 820073312 /nfs/dbraw/zinc/07/33/12/820073312.db2.gz QSMDTMJFOHYVIU-HXUWFJFHSA-N 1 1 391.544 4.476 20 0 GIADMO S=c1n(C[N@H+]2CCC[C@@H]2Cc2ccccc2)nc(-c2cccnc2)n1C1CC1 ZINC000026236721 820073324 /nfs/dbraw/zinc/07/33/24/820073324.db2.gz QSMDTMJFOHYVIU-HXUWFJFHSA-N 1 1 391.544 4.476 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)ccc2c1 ZINC000026301269 820079545 /nfs/dbraw/zinc/07/95/45/820079545.db2.gz JUFQQWNSKQOWSM-OAHLLOKOSA-N 1 1 392.455 4.036 20 0 GIADMO C[NH+](C)C1(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)CCCCC1 ZINC000026308134 820080869 /nfs/dbraw/zinc/08/08/69/820080869.db2.gz AFXXJCULCJIFMQ-UHFFFAOYSA-N 1 1 389.547 4.288 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC(C)C)C2)c(C(F)(F)F)c1 ZINC000177389314 823451774 /nfs/dbraw/zinc/45/17/74/823451774.db2.gz UQRGGOGMNHMZRN-OAHLLOKOSA-N 1 1 399.457 4.360 20 0 GIADMO O[C@H]([C@H]1CC[N@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000573134662 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1 1 385.455 4.178 20 0 GIADMO Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000573140405 823454308 /nfs/dbraw/zinc/45/43/08/823454308.db2.gz NBOBRPRABDHPJT-DBXWQHBBSA-N 1 1 395.453 4.359 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H](c4ccccc4F)C3)cc2)C[C@@H](C)O1 ZINC000410296574 823454411 /nfs/dbraw/zinc/45/44/11/823454411.db2.gz MNIQKPGOPFUWNG-OPYAIIAOSA-N 1 1 396.506 4.065 20 0 GIADMO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000026608864 820120681 /nfs/dbraw/zinc/12/06/81/820120681.db2.gz RYMJLBTVIRZYSL-UHFFFAOYSA-N 1 1 399.416 4.212 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)C[C@H](C)O1 ZINC000410298160 823454773 /nfs/dbraw/zinc/45/47/73/823454773.db2.gz BCVZRCHOXNFXTL-KDURUIRLSA-N 1 1 388.511 4.379 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)C[C@H](C)O1 ZINC000410298160 823454778 /nfs/dbraw/zinc/45/47/78/823454778.db2.gz BCVZRCHOXNFXTL-KDURUIRLSA-N 1 1 388.511 4.379 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(Oc3ccncc3)c2)[C@@H]1c1ccccc1 ZINC000189596009 823454759 /nfs/dbraw/zinc/45/47/59/823454759.db2.gz LLDSYKWCPLPNOS-YADHBBJMSA-N 1 1 388.471 4.441 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c(C)c1 ZINC000026640286 820126421 /nfs/dbraw/zinc/12/64/21/820126421.db2.gz PXROOXANYRRYMD-WSTZPKSXSA-N 1 1 384.564 4.091 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c(C)c1 ZINC000026640300 820126471 /nfs/dbraw/zinc/12/64/71/820126471.db2.gz PXROOXANYRRYMD-CMKODMSKSA-N 1 1 384.564 4.091 20 0 GIADMO O=C(c1ccc2ccc(Cl)cc2n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000177409273 823455212 /nfs/dbraw/zinc/45/52/12/823455212.db2.gz ORRPWGQBQNYMNZ-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO CC(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460615960 823456791 /nfs/dbraw/zinc/45/67/91/823456791.db2.gz BQDUVTJTXWGQPG-UHFFFAOYSA-N 1 1 399.558 4.119 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000058828233 823460402 /nfs/dbraw/zinc/46/04/02/823460402.db2.gz DIRXYPLONLXVKY-UHFFFAOYSA-N 1 1 377.410 4.275 20 0 GIADMO Cc1coc(-c2cccc(NC(=O)N3CC[NH+](Cc4ccccc4C)CC3)c2)n1 ZINC000177432066 823460939 /nfs/dbraw/zinc/46/09/39/823460939.db2.gz WIZWHOPDCJRCNJ-UHFFFAOYSA-N 1 1 390.487 4.308 20 0 GIADMO Cc1ccc(-c2ncc(C[NH+]3CCC(NC(=O)c4ccccc4)CC3)s2)o1 ZINC000123092094 823461052 /nfs/dbraw/zinc/46/10/52/823461052.db2.gz JMNSWDLGIXQJEI-UHFFFAOYSA-N 1 1 381.501 4.106 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C2CC2)cc1 ZINC000027279335 820219302 /nfs/dbraw/zinc/21/93/02/820219302.db2.gz QMWJQGZEFHJTBW-XMMPIXPASA-N 1 1 378.516 4.236 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C2CC2)cc1 ZINC000027279335 820219309 /nfs/dbraw/zinc/21/93/09/820219309.db2.gz QMWJQGZEFHJTBW-XMMPIXPASA-N 1 1 378.516 4.236 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@H](O)c1ccccc1F)C1CCCCC1 ZINC000058859221 823463023 /nfs/dbraw/zinc/46/30/23/823463023.db2.gz GAKULGQWHOLJSV-QFIPXVFZSA-N 1 1 399.510 4.445 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(Br)s2)CC1 ZINC000027386801 820237124 /nfs/dbraw/zinc/23/71/24/820237124.db2.gz CIZMYQBXMYNZGJ-UHFFFAOYSA-N 1 1 393.350 4.167 20 0 GIADMO COc1ccccc1-c1nc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000058861459 823463650 /nfs/dbraw/zinc/46/36/50/823463650.db2.gz PUCJVENVNWNVJV-UHFFFAOYSA-N 1 1 387.549 4.011 20 0 GIADMO CCCOc1ccc(C(=O)c2ccccc2-c2nc(C[NH3+])no2)cc1OCCC ZINC000573205861 823465376 /nfs/dbraw/zinc/46/53/76/823465376.db2.gz FQYJKQIUJXSNSD-UHFFFAOYSA-N 1 1 395.459 4.004 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc(F)cc1 ZINC000027574381 820262194 /nfs/dbraw/zinc/26/21/94/820262194.db2.gz UGDVCZNLWDUYQP-INIZCTEOSA-N 1 1 398.478 4.176 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(F)cc3)cc2)C1 ZINC000410354392 823471687 /nfs/dbraw/zinc/47/16/87/823471687.db2.gz WBVBNNRRRIAKNF-SFHVURJKSA-N 1 1 383.511 4.399 20 0 GIADMO COc1ccc(Cl)cc1C[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000027738573 820281396 /nfs/dbraw/zinc/28/13/96/820281396.db2.gz QHKUSEBKCBYHPU-UHFFFAOYSA-N 1 1 397.302 4.471 20 0 GIADMO COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000027738831 820281502 /nfs/dbraw/zinc/28/15/02/820281502.db2.gz HPOWOKKUGQFSEL-MRXNPFEDSA-N 1 1 384.701 4.277 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCOc2ccccc2F)cc1 ZINC000410339306 823467321 /nfs/dbraw/zinc/46/73/21/823467321.db2.gz XWCVHOWVTZIYNB-SFHVURJKSA-N 1 1 399.510 4.078 20 0 GIADMO Fc1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c2c(c1)COCO2 ZINC000027956833 820300555 /nfs/dbraw/zinc/30/05/55/820300555.db2.gz HNIVGEYDJGHNFP-UHFFFAOYSA-N 1 1 385.435 4.366 20 0 GIADMO C[C@H](c1ccc(NC(=O)N(C)Cc2ccccc2Cl)cc1)[NH+]1CCOCC1 ZINC000573232371 823468566 /nfs/dbraw/zinc/46/85/66/823468566.db2.gz DGSOVUCNIGYIOG-MRXNPFEDSA-N 1 1 387.911 4.397 20 0 GIADMO CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000058927795 823471451 /nfs/dbraw/zinc/47/14/51/823471451.db2.gz YZIAZNKPGHUCMJ-HXUWFJFHSA-N 1 1 396.535 4.175 20 0 GIADMO CC(C)c1ccccc1OC[C@@H](O)CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000573238230 823469050 /nfs/dbraw/zinc/46/90/50/823469050.db2.gz VJYWGZPDZMFXOA-UGKGYDQZSA-N 1 1 398.547 4.055 20 0 GIADMO C[C@@H](NC(=O)N1Cc2ccccc2OC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460658954 823469157 /nfs/dbraw/zinc/46/91/57/823469157.db2.gz UFZAMSUWXOCWEG-MSOLQXFVSA-N 1 1 385.552 4.022 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccccc2N(C)C)cc1 ZINC000410348112 823469800 /nfs/dbraw/zinc/46/98/00/823469800.db2.gz UUTZHDQCODUBTQ-GOSISDBHSA-N 1 1 380.536 4.449 20 0 GIADMO COc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1F ZINC000410349423 823470045 /nfs/dbraw/zinc/47/00/45/823470045.db2.gz AGNNZJVVPLBUJO-KRWDZBQOSA-N 1 1 399.510 4.066 20 0 GIADMO Cc1noc(C)c1C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000123148005 823470079 /nfs/dbraw/zinc/47/00/79/823470079.db2.gz HNXLFWHDJRLJPG-IRXDYDNUSA-N 1 1 398.551 4.096 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@H]1CCSc2ccc(F)cc21 ZINC000028354269 820328730 /nfs/dbraw/zinc/32/87/30/820328730.db2.gz ABVMXDNUPZVMKE-FQEVSTJZSA-N 1 1 399.535 4.110 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177470737 823470273 /nfs/dbraw/zinc/47/02/73/823470273.db2.gz QGQNKWBPWDORDF-AZUAARDMSA-N 1 1 388.552 4.105 20 0 GIADMO CCOc1ccc(C[NH+]2CCN(c3ncnc4sc(C)c(C)c43)CC2)cc1 ZINC000028620728 820346071 /nfs/dbraw/zinc/34/60/71/820346071.db2.gz VVQHBYFIKKLBCZ-UHFFFAOYSA-N 1 1 382.533 4.029 20 0 GIADMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177480337 823472443 /nfs/dbraw/zinc/47/24/43/823472443.db2.gz MBRKIHRAGYVWSC-OAHLLOKOSA-N 1 1 396.478 4.286 20 0 GIADMO C[C@@H]1CN(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000410356735 823472521 /nfs/dbraw/zinc/47/25/21/823472521.db2.gz XZOHOVNGOHVOAU-QRVBRYPASA-N 1 1 393.531 4.129 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000410358833 823473481 /nfs/dbraw/zinc/47/34/81/823473481.db2.gz KIXPQZUVGLWYCM-GOSISDBHSA-N 1 1 383.511 4.399 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cnc2c(F)cccc2c1 ZINC000573271449 823473728 /nfs/dbraw/zinc/47/37/28/823473728.db2.gz LPFQIMLZDXRIMZ-QGZVFWFLSA-N 1 1 377.463 4.111 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC000028887968 820367067 /nfs/dbraw/zinc/36/70/67/820367067.db2.gz JFDGHGUVMBKDFQ-HUUCEWRRSA-N 1 1 381.501 4.158 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000028895564 820368709 /nfs/dbraw/zinc/36/87/09/820368709.db2.gz UURITDAZIKGGBA-UHFFFAOYSA-N 1 1 397.302 4.341 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000028901483 820369671 /nfs/dbraw/zinc/36/96/71/820369671.db2.gz ONAUEOAPNRKEMT-UHFFFAOYSA-N 1 1 378.925 4.401 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCc3nc4ccccc4[nH]3)cc2)C1 ZINC000058948647 823474253 /nfs/dbraw/zinc/47/42/53/823474253.db2.gz SKBWBJROBHJGGR-GOSISDBHSA-N 1 1 390.531 4.044 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000028936529 820375949 /nfs/dbraw/zinc/37/59/49/820375949.db2.gz PIWJJIHVRMPDJO-UHFFFAOYSA-N 1 1 399.495 4.301 20 0 GIADMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000028975552 820378775 /nfs/dbraw/zinc/37/87/75/820378775.db2.gz KDFCLMMRDJQOLN-QGZVFWFLSA-N 1 1 384.480 4.157 20 0 GIADMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000028975552 820378781 /nfs/dbraw/zinc/37/87/81/820378781.db2.gz KDFCLMMRDJQOLN-QGZVFWFLSA-N 1 1 384.480 4.157 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cccnc2)C1 ZINC000410362608 823474804 /nfs/dbraw/zinc/47/48/04/823474804.db2.gz HHIAVZYXHLHWLA-WMZHIEFXSA-N 1 1 392.547 4.360 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)C1 ZINC000123179216 823474903 /nfs/dbraw/zinc/47/49/03/823474903.db2.gz MCWXJPCKSPKUKJ-VQTJNVASSA-N 1 1 392.543 4.115 20 0 GIADMO COc1ccc(CCC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1F ZINC000058952452 823474926 /nfs/dbraw/zinc/47/49/26/823474926.db2.gz CEEVSHPSJMBAME-SFHVURJKSA-N 1 1 398.522 4.315 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)C1(c2cccc(Cl)c2)CC1)c1ccccc1Cl ZINC000029051624 820387709 /nfs/dbraw/zinc/38/77/09/820387709.db2.gz GKQGAPHUUDMHHW-SFHVURJKSA-N 1 1 377.315 4.444 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000058957277 823475952 /nfs/dbraw/zinc/47/59/52/823475952.db2.gz MWKORONGYFUTQI-CYBMUJFWSA-N 1 1 384.307 4.110 20 0 GIADMO Clc1ccc2c(ccn2CC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000573290712 823476699 /nfs/dbraw/zinc/47/66/99/823476699.db2.gz KQNSZYCSLPCZCL-KRWDZBQOSA-N 1 1 379.895 4.217 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000058966217 823476813 /nfs/dbraw/zinc/47/68/13/823476813.db2.gz OLVKXCYFENGGCX-MRXNPFEDSA-N 1 1 396.959 4.379 20 0 GIADMO COc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000410369889 823477707 /nfs/dbraw/zinc/47/77/07/823477707.db2.gz CGERIWXOWLKYFQ-SFHVURJKSA-N 1 1 381.520 4.069 20 0 GIADMO Cc1sc(-c2ccco2)nc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029290547 820429539 /nfs/dbraw/zinc/42/95/39/820429539.db2.gz IMGATYBTNOOHLT-OAHLLOKOSA-N 1 1 385.489 4.262 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCOc2ccccc2)C1 ZINC000410374367 823479683 /nfs/dbraw/zinc/47/96/83/823479683.db2.gz NDNOFCWVRLEIEY-FQEVSTJZSA-N 1 1 395.547 4.139 20 0 GIADMO Cc1cccc(Oc2ccc(NC(=O)N3CCC([N@@H+](C)CCCO)CC3)cc2)c1 ZINC000177511152 823479686 /nfs/dbraw/zinc/47/96/86/823479686.db2.gz RGXDZQJZEITETC-UHFFFAOYSA-N 1 1 397.519 4.098 20 0 GIADMO COC(=O)c1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000410374813 823479995 /nfs/dbraw/zinc/47/99/95/823479995.db2.gz NTYXYCRVRASPFJ-QGZVFWFLSA-N 1 1 395.503 4.027 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3nc(C4CC4)oc3c2)[C@@H]1c1ccccc1 ZINC000189714902 823480693 /nfs/dbraw/zinc/48/06/93/823480693.db2.gz RXZWHZDUOVSUGX-QUCCMNQESA-N 1 1 376.460 4.272 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000573331496 823480721 /nfs/dbraw/zinc/48/07/21/823480721.db2.gz KIDIYCKHWRUSHB-JPYJTQIMSA-N 1 1 388.515 4.185 20 0 GIADMO CC(C)N(C)C(=O)C1CC[NH+](Cn2c3ccc(Cl)cc3oc2=S)CC1 ZINC000029586529 820479888 /nfs/dbraw/zinc/47/98/88/820479888.db2.gz NDCOERDDWUPSFG-UHFFFAOYSA-N 1 1 381.929 4.153 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000029615759 820485062 /nfs/dbraw/zinc/48/50/62/820485062.db2.gz AGLKYUVXHSHIKW-KGLIPLIRSA-N 1 1 376.884 4.343 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000029711051 820503359 /nfs/dbraw/zinc/50/33/59/820503359.db2.gz GIYFQLKBLGTCQS-KRWDZBQOSA-N 1 1 379.435 4.331 20 0 GIADMO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000029720276 820506612 /nfs/dbraw/zinc/50/66/12/820506612.db2.gz RYVROFLKSUNCIB-UHFFFAOYSA-N 1 1 379.435 4.005 20 0 GIADMO C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000029720276 820506617 /nfs/dbraw/zinc/50/66/17/820506617.db2.gz RYVROFLKSUNCIB-UHFFFAOYSA-N 1 1 379.435 4.005 20 0 GIADMO C[C@H](N[C@H](c1nccs1)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123248094 823484980 /nfs/dbraw/zinc/48/49/80/823484980.db2.gz QDEQVYJJKAKJRZ-BWAGFHJFSA-N 1 1 393.556 4.112 20 0 GIADMO C[C@H](N[C@H](c1nccs1)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123248094 823484984 /nfs/dbraw/zinc/48/49/84/823484984.db2.gz QDEQVYJJKAKJRZ-BWAGFHJFSA-N 1 1 393.556 4.112 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H](C)c3cccc(Cl)c3)cc2)CC1 ZINC000460707901 823489565 /nfs/dbraw/zinc/48/95/65/823489565.db2.gz HAQGRMXVZVTZOR-KRWDZBQOSA-N 1 1 385.939 4.220 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(F)c(Cl)c1 ZINC000029824786 820524946 /nfs/dbraw/zinc/52/49/46/820524946.db2.gz BPXXCNRTPJKTQV-ZDUSSCGKSA-N 1 1 387.842 4.438 20 0 GIADMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(F)c(Cl)c1 ZINC000029824786 820524951 /nfs/dbraw/zinc/52/49/51/820524951.db2.gz BPXXCNRTPJKTQV-ZDUSSCGKSA-N 1 1 387.842 4.438 20 0 GIADMO O=c1[nH]c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)nc2cc(Cl)ccc12 ZINC000029825500 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ZINC000190117814 823539479 /nfs/dbraw/zinc/53/94/79/823539479.db2.gz XTHMILTXLIJZJJ-UHFFFAOYSA-N 1 1 383.517 4.101 20 0 GIADMO COc1ccccc1-c1nn(C[N@H+](C)C2C3CC4CC(C3)CC2C4)c(=S)n1C ZINC000042094516 821264065 /nfs/dbraw/zinc/26/40/65/821264065.db2.gz LBTFULNZZZMPMU-UHFFFAOYSA-N 1 1 398.576 4.341 20 0 GIADMO COc1ccccc1-c1nn(C[N@@H+](C)C2C3CC4CC(C3)CC2C4)c(=S)n1C ZINC000042094516 821264073 /nfs/dbraw/zinc/26/40/73/821264073.db2.gz LBTFULNZZZMPMU-UHFFFAOYSA-N 1 1 398.576 4.341 20 0 GIADMO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123781100 823540233 /nfs/dbraw/zinc/54/02/33/823540233.db2.gz RTOXFYWBFCFYFO-LAUBAEHRSA-N 1 1 375.472 4.027 20 0 GIADMO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132578 821272730 /nfs/dbraw/zinc/27/27/30/821272730.db2.gz MTTCCNVRRBLIBO-QUCCMNQESA-N 1 1 391.515 4.363 20 0 GIADMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132497 821272751 /nfs/dbraw/zinc/27/27/51/821272751.db2.gz YPBHSRGOQJLSEZ-WBVHZDCISA-N 1 1 395.528 4.042 20 0 GIADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460911239 823540579 /nfs/dbraw/zinc/54/05/79/823540579.db2.gz QSQHKKWBJKXPHE-NRFANRHFSA-N 1 1 381.520 4.045 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 ZINC000042184043 821280294 /nfs/dbraw/zinc/28/02/94/821280294.db2.gz ZIDJACVNMSAZOK-QWHCGFSZSA-N 1 1 392.883 4.044 20 0 GIADMO Cc1cc(C[NH2+][C@@H](C)c2nnc3ccccn32)cc(C)c1OCc1ccccn1 ZINC000042187254 821281224 /nfs/dbraw/zinc/28/12/24/821281224.db2.gz GHZSXRIWBBKFFN-SFHVURJKSA-N 1 1 387.487 4.171 20 0 GIADMO CC(C)c1noc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000042243972 821290870 /nfs/dbraw/zinc/29/08/70/821290870.db2.gz UJDFRJUKEGEMDM-UHFFFAOYSA-N 1 1 376.504 4.100 20 0 GIADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1C ZINC000042288969 821295484 /nfs/dbraw/zinc/29/54/84/821295484.db2.gz YHNMJADCNVDENK-OALUTQOASA-N 1 1 393.531 4.333 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000042326816 821300113 /nfs/dbraw/zinc/30/01/13/821300113.db2.gz VAUQGUDRXWNEJQ-IBGZPJMESA-N 1 1 376.504 4.257 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000042326816 821300123 /nfs/dbraw/zinc/30/01/23/821300123.db2.gz VAUQGUDRXWNEJQ-IBGZPJMESA-N 1 1 376.504 4.257 20 0 GIADMO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000042330714 821301723 /nfs/dbraw/zinc/30/17/23/821301723.db2.gz IJNNVUNIXWDQSS-KBXCAEBGSA-N 1 1 392.421 4.166 20 0 GIADMO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000042330714 821301729 /nfs/dbraw/zinc/30/17/29/821301729.db2.gz IJNNVUNIXWDQSS-KBXCAEBGSA-N 1 1 392.421 4.166 20 0 GIADMO O=C(Nc1nccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000042736330 821328450 /nfs/dbraw/zinc/32/84/50/821328450.db2.gz GBXYFYHSBFAXAB-UHFFFAOYSA-N 1 1 378.501 4.082 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCc3nccn3C)cc2)cc1 ZINC000042743597 821329592 /nfs/dbraw/zinc/32/95/92/821329592.db2.gz ZHRAGQRCDDSUBJ-JOCHJYFZSA-N 1 1 377.488 4.345 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180629485 821375303 /nfs/dbraw/zinc/37/53/03/821375303.db2.gz SVPGZJBGRDXZFF-CVEARBPZSA-N 1 1 389.931 4.027 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180629485 821375312 /nfs/dbraw/zinc/37/53/12/821375312.db2.gz SVPGZJBGRDXZFF-CVEARBPZSA-N 1 1 389.931 4.027 20 0 GIADMO CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)c1cccc(OC)c1 ZINC000043239259 821379895 /nfs/dbraw/zinc/37/98/95/821379895.db2.gz WPXMXEQYXOIZKG-WIYYLYMNSA-N 1 1 381.520 4.062 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)s2)C1 ZINC000180647797 821381594 /nfs/dbraw/zinc/38/15/94/821381594.db2.gz PYCRWACGLKWKHB-YWZLYKJASA-N 1 1 385.508 4.233 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000180649291 821382325 /nfs/dbraw/zinc/38/23/25/821382325.db2.gz QDNDLRLBUDBACY-MLGOLLRUSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000180649291 821382334 /nfs/dbraw/zinc/38/23/34/821382334.db2.gz QDNDLRLBUDBACY-MLGOLLRUSA-N 1 1 387.833 4.038 20 0 GIADMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000043268519 821383863 /nfs/dbraw/zinc/38/38/63/821383863.db2.gz SFOICNUBCWTVAL-UHFFFAOYSA-N 1 1 390.487 4.063 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N(Cc1cccs1)C1CC1)c1ccccc1Cl ZINC000043307281 821389968 /nfs/dbraw/zinc/38/99/68/821389968.db2.gz RXWOWPWJPQZVAK-SFHVURJKSA-N 1 1 377.941 4.378 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000043314715 821390829 /nfs/dbraw/zinc/39/08/29/821390829.db2.gz NQBMMJXQNFOKFB-UHFFFAOYSA-N 1 1 398.526 4.067 20 0 GIADMO Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000180686887 821395341 /nfs/dbraw/zinc/39/53/41/821395341.db2.gz BXNBCCQWZGMXOX-RBUKOAKNSA-N 1 1 398.526 4.046 20 0 GIADMO CN(C(=O)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1nccs1 ZINC000180693767 821398785 /nfs/dbraw/zinc/39/87/85/821398785.db2.gz PYTZGISZWBQQIO-UHFFFAOYSA-N 1 1 383.439 4.004 20 0 GIADMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000180697703 821401324 /nfs/dbraw/zinc/40/13/24/821401324.db2.gz HTPMTOQDUORQEN-QGZVFWFLSA-N 1 1 385.508 4.069 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1OCC ZINC000043416840 821405170 /nfs/dbraw/zinc/40/51/70/821405170.db2.gz SOGKTRZWPOVISA-UHFFFAOYSA-N 1 1 397.519 4.224 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000043495231 821417705 /nfs/dbraw/zinc/41/77/05/821417705.db2.gz HCCDKYYEJVSWAG-IBGZPJMESA-N 1 1 392.547 4.164 20 0 GIADMO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000180739021 821426337 /nfs/dbraw/zinc/42/63/37/821426337.db2.gz IZMJRQIDWVLYMA-SFHVURJKSA-N 1 1 385.577 4.496 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1ccncc1)[C@@H](C)c1ccccc1 ZINC000043563900 821427572 /nfs/dbraw/zinc/42/75/72/821427572.db2.gz WXWYSSXBJMLZMH-RXVVDRJESA-N 1 1 382.577 4.004 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000043654305 821436718 /nfs/dbraw/zinc/43/67/18/821436718.db2.gz QSBCWHYKLFDLMC-KRWDZBQOSA-N 1 1 394.519 4.199 20 0 GIADMO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180774844 821448442 /nfs/dbraw/zinc/44/84/42/821448442.db2.gz DRVVHZYLILHDAJ-IBGZPJMESA-N 1 1 381.442 4.137 20 0 GIADMO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180774844 821448445 /nfs/dbraw/zinc/44/84/45/821448445.db2.gz DRVVHZYLILHDAJ-IBGZPJMESA-N 1 1 381.442 4.137 20 0 GIADMO C[C@@H](CNC(=O)c1occc1COc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000043750394 821453243 /nfs/dbraw/zinc/45/32/43/821453243.db2.gz UFTLJFVZILAJMB-SFHVURJKSA-N 1 1 390.483 4.035 20 0 GIADMO C[C@@H](CNC(=O)c1occc1COc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000043750394 821453252 /nfs/dbraw/zinc/45/32/52/821453252.db2.gz UFTLJFVZILAJMB-SFHVURJKSA-N 1 1 390.483 4.035 20 0 GIADMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cn2)C[C@H](C)O1 ZINC000180794082 821462402 /nfs/dbraw/zinc/46/24/02/821462402.db2.gz RDHAHHPUHASWGC-HDICACEKSA-N 1 1 393.487 4.370 20 0 GIADMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000180807060 821470431 /nfs/dbraw/zinc/47/04/31/821470431.db2.gz STAWMCREUNKPRU-IBGZPJMESA-N 1 1 382.504 4.216 20 0 GIADMO O=C(Nc1ccccc1OC(F)(F)F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043879275 821483197 /nfs/dbraw/zinc/48/31/97/821483197.db2.gz LKOJDLINHBMSCD-UHFFFAOYSA-N 1 1 393.409 4.325 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000180829301 821484696 /nfs/dbraw/zinc/48/46/96/821484696.db2.gz WMMDFAJWIIYKMW-IBGZPJMESA-N 1 1 386.923 4.219 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccco1 ZINC000043907663 821488015 /nfs/dbraw/zinc/48/80/15/821488015.db2.gz TWZLTQHKIFYWLH-MRXNPFEDSA-N 1 1 385.464 4.136 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccc(-n2cccn2)cc1 ZINC000180848344 821492807 /nfs/dbraw/zinc/49/28/07/821492807.db2.gz COGVTTCKORTVDI-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO Brc1ccc(-c2nccc(C[N@H+](Cc3ccccn3)C3CC3)n2)cc1 ZINC000180859694 821498176 /nfs/dbraw/zinc/49/81/76/821498176.db2.gz MMJMEPRRRDGGOA-UHFFFAOYSA-N 1 1 395.304 4.466 20 0 GIADMO Brc1ccc(-c2nccc(C[N@@H+](Cc3ccccn3)C3CC3)n2)cc1 ZINC000180859694 821498183 /nfs/dbraw/zinc/49/81/83/821498183.db2.gz MMJMEPRRRDGGOA-UHFFFAOYSA-N 1 1 395.304 4.466 20 0 GIADMO C[C@@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180863887 821501095 /nfs/dbraw/zinc/50/10/95/821501095.db2.gz YZWOFTWCOSNARG-GDBMZVCRSA-N 1 1 399.457 4.037 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)o2)cc1C ZINC000180874000 821506354 /nfs/dbraw/zinc/50/63/54/821506354.db2.gz XEVKJLKHQPRBHW-AEFFLSMTSA-N 1 1 392.507 4.220 20 0 GIADMO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180904152 821527135 /nfs/dbraw/zinc/52/71/35/821527135.db2.gz ODXFNCLIQWTHAI-INIZCTEOSA-N 1 1 395.469 4.081 20 0 GIADMO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000180987090 821575773 /nfs/dbraw/zinc/57/57/73/821575773.db2.gz AVWLOTBDOIDLEN-JOCHJYFZSA-N 1 1 394.490 4.332 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)c2ccccc2)cc1 ZINC000180987201 821576533 /nfs/dbraw/zinc/57/65/33/821576533.db2.gz BXWPKEAMXWQAAB-SFHVURJKSA-N 1 1 375.394 4.327 20 0 GIADMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(Oc2ccccc2)o1 ZINC000180988698 821577132 /nfs/dbraw/zinc/57/71/32/821577132.db2.gz OXBONKYIXREFQL-NRFANRHFSA-N 1 1 392.499 4.318 20 0 GIADMO C[C@H](CCO)[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000180990697 821578317 /nfs/dbraw/zinc/57/83/17/821578317.db2.gz PARAXUFXWVNNIS-MRXNPFEDSA-N 1 1 394.437 4.307 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)CCc2ccc3[nH]ccc3c2)[C@@H]1c1cccs1 ZINC000181020121 821596628 /nfs/dbraw/zinc/59/66/28/821596628.db2.gz DAEXUVSDEJAHDD-PGRDOPGGSA-N 1 1 381.545 4.361 20 0 GIADMO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000181056399 821613711 /nfs/dbraw/zinc/61/37/11/821613711.db2.gz QBFPHYLOOKQDBU-UHFFFAOYSA-N 1 1 376.460 4.259 20 0 GIADMO CC[N@H+](Cc1cnn(C)c1)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000181056399 821613717 /nfs/dbraw/zinc/61/37/17/821613717.db2.gz QBFPHYLOOKQDBU-UHFFFAOYSA-N 1 1 376.460 4.259 20 0 GIADMO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(-c3ccccc3)cc2)no1 ZINC000044591024 821617206 /nfs/dbraw/zinc/61/72/06/821617206.db2.gz AYSZUCVQOALKMW-REWPJTCUSA-N 1 1 378.472 4.227 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(-c3ccccc3)cc2)no1 ZINC000044591024 821617210 /nfs/dbraw/zinc/61/72/10/821617210.db2.gz AYSZUCVQOALKMW-REWPJTCUSA-N 1 1 378.472 4.227 20 0 GIADMO CCCN1c2ccc(NC(=O)[C@H](c3ccccc3)[N@H+](C)CC)cc2CCC1=O ZINC000181107492 821636443 /nfs/dbraw/zinc/63/64/43/821636443.db2.gz NRWRVXWGWFBOAK-QFIPXVFZSA-N 1 1 379.504 4.007 20 0 GIADMO CCCN1c2ccc(NC(=O)[C@H](c3ccccc3)[N@@H+](C)CC)cc2CCC1=O ZINC000181107492 821636446 /nfs/dbraw/zinc/63/64/46/821636446.db2.gz NRWRVXWGWFBOAK-QFIPXVFZSA-N 1 1 379.504 4.007 20 0 GIADMO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000181107420 821636479 /nfs/dbraw/zinc/63/64/79/821636479.db2.gz GZIXATZYVGWYOH-HXUWFJFHSA-N 1 1 393.358 4.324 20 0 GIADMO CCCN1c2ccc(NC(=O)[C@@H](c3ccccc3)[N@H+](C)CC)cc2CCC1=O ZINC000181107471 821636517 /nfs/dbraw/zinc/63/65/17/821636517.db2.gz NRWRVXWGWFBOAK-JOCHJYFZSA-N 1 1 379.504 4.007 20 0 GIADMO CCCN1c2ccc(NC(=O)[C@@H](c3ccccc3)[N@@H+](C)CC)cc2CCC1=O ZINC000181107471 821636520 /nfs/dbraw/zinc/63/65/20/821636520.db2.gz NRWRVXWGWFBOAK-JOCHJYFZSA-N 1 1 379.504 4.007 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181147850 821663624 /nfs/dbraw/zinc/66/36/24/821663624.db2.gz XTGLFLQVSHYMMR-FQEVSTJZSA-N 1 1 382.552 4.147 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000181152445 821666363 /nfs/dbraw/zinc/66/63/63/821666363.db2.gz YGGZLUKFXVGPDK-IBGZPJMESA-N 1 1 382.552 4.289 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1Cl ZINC000044836504 821670937 /nfs/dbraw/zinc/67/09/37/821670937.db2.gz JLZYJEIIWIDKMY-DVOMOZLQSA-N 1 1 376.850 4.428 20 0 GIADMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856760 821673064 /nfs/dbraw/zinc/67/30/64/821673064.db2.gz BEWFGIVCMDZWJT-LEWJYISDSA-N 1 1 396.531 4.183 20 0 GIADMO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044878942 821676230 /nfs/dbraw/zinc/67/62/30/821676230.db2.gz LQUFYUZMPDAYNZ-RBUKOAKNSA-N 1 1 396.531 4.011 20 0 GIADMO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044910557 821679576 /nfs/dbraw/zinc/67/95/76/821679576.db2.gz QOEVUOIUSZNELG-HSZRJFAPSA-N 1 1 391.559 4.205 20 0 GIADMO Cc1cc2ncc([C@@H](C)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c(C)n2n1 ZINC000181201904 821694034 /nfs/dbraw/zinc/69/40/34/821694034.db2.gz FZZSSHJTJPOQNP-PKOBYXMFSA-N 1 1 391.563 4.429 20 0 GIADMO Cc1cc2ncc([C@@H](C)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)c(C)n2n1 ZINC000181201904 821694038 /nfs/dbraw/zinc/69/40/38/821694038.db2.gz FZZSSHJTJPOQNP-PKOBYXMFSA-N 1 1 391.563 4.429 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1nc2ccccc2o1)c1ccccc1OCC(=O)N(C)C ZINC000181226850 821706499 /nfs/dbraw/zinc/70/64/99/821706499.db2.gz HMLBENPYKHRORQ-WBVHZDCISA-N 1 1 381.476 4.097 20 0 GIADMO Cc1ccc(C[C@@H](C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000181229560 821708001 /nfs/dbraw/zinc/70/80/01/821708001.db2.gz WMMSBIJOXUTSPL-GKBKNJALSA-N 1 1 376.544 4.485 20 0 GIADMO COCCc1noc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000181241876 821715039 /nfs/dbraw/zinc/71/50/39/821715039.db2.gz ZIGKMYDVZYNNTQ-NZQKXSOJSA-N 1 1 377.488 4.210 20 0 GIADMO CCCN(Cc1nnc(C2CC2)n1C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000181247793 821717755 /nfs/dbraw/zinc/71/77/55/821717755.db2.gz LAXHFOHQVBQJKP-QFIPXVFZSA-N 1 1 393.579 4.367 20 0 GIADMO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccc(N2CCOC2=O)cc1 ZINC000181271843 821726893 /nfs/dbraw/zinc/72/68/93/821726893.db2.gz DLRRPSNPQVQFBQ-GFCCVEGCSA-N 1 1 393.256 4.396 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000181274650 821728356 /nfs/dbraw/zinc/72/83/56/821728356.db2.gz MARQQKBUIAMXNF-CYBMUJFWSA-N 1 1 399.397 4.427 20 0 GIADMO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181293946 821739898 /nfs/dbraw/zinc/73/98/98/821739898.db2.gz DPNDAZFSZYUVRQ-HOCLYGCPSA-N 1 1 380.496 4.093 20 0 GIADMO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181293946 821739905 /nfs/dbraw/zinc/73/99/05/821739905.db2.gz DPNDAZFSZYUVRQ-HOCLYGCPSA-N 1 1 380.496 4.093 20 0 GIADMO C[N@@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn21)C[C@H](O)C(F)(F)F ZINC000181293819 821739953 /nfs/dbraw/zinc/73/99/53/821739953.db2.gz SYIJSUYXEMDCAU-ZDUSSCGKSA-N 1 1 389.830 4.071 20 0 GIADMO C[N@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn21)C[C@H](O)C(F)(F)F ZINC000181293819 821739957 /nfs/dbraw/zinc/73/99/57/821739957.db2.gz SYIJSUYXEMDCAU-ZDUSSCGKSA-N 1 1 389.830 4.071 20 0 GIADMO C[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1cccc(N2CCOC2=O)c1 ZINC000181298716 821742724 /nfs/dbraw/zinc/74/27/24/821742724.db2.gz DYXAQXKXXBTVFG-ZDUSSCGKSA-N 1 1 386.402 4.239 20 0 GIADMO C[C@H]([NH2+]Cc1c(F)cccc1Br)c1cccc(N2CCOC2=O)c1 ZINC000181305073 821745124 /nfs/dbraw/zinc/74/51/24/821745124.db2.gz KMIKKPVDJJGXDE-LBPRGKRZSA-N 1 1 393.256 4.396 20 0 GIADMO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(I)cc1 ZINC000181367980 821791571 /nfs/dbraw/zinc/79/15/71/821791571.db2.gz SRSIUFJPQQHFFA-JTQLQIEISA-N 1 1 384.286 4.476 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000181414814 821813765 /nfs/dbraw/zinc/81/37/65/821813765.db2.gz WAJFMIWYIJBRSK-IBGZPJMESA-N 1 1 376.447 4.005 20 0 GIADMO Nc1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)nc2ccccc12 ZINC000181416975 821814889 /nfs/dbraw/zinc/81/48/89/821814889.db2.gz HSGADPJQPADHRX-QAPCUYQASA-N 1 1 382.533 4.142 20 0 GIADMO COC[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(F)c(F)c1 ZINC000181418211 821815674 /nfs/dbraw/zinc/81/56/74/821815674.db2.gz DIZJNCCLAMNWIA-FQEVSTJZSA-N 1 1 385.410 4.037 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000181421507 821818112 /nfs/dbraw/zinc/81/81/12/821818112.db2.gz LPKPEOAVXYPOOK-LEWJYISDSA-N 1 1 380.536 4.359 20 0 GIADMO COc1ccccc1[C@H]([NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)c1ccco1 ZINC000181432015 821824182 /nfs/dbraw/zinc/82/41/82/821824182.db2.gz SLEOOHSZGCNGNJ-VLIAUNLRSA-N 1 1 399.878 4.433 20 0 GIADMO COC[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000181437118 821827096 /nfs/dbraw/zinc/82/70/96/821827096.db2.gz AKCINUHYJNQDGG-LPHOPBHVSA-N 1 1 396.503 4.207 20 0 GIADMO C[C@@H](NC(=O)c1cc(Br)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181450272 821831178 /nfs/dbraw/zinc/83/11/78/821831178.db2.gz DJVZKXFZCGFRGH-CHWSQXEVSA-N 1 1 399.760 4.485 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181451894 821832101 /nfs/dbraw/zinc/83/21/01/821832101.db2.gz ONRISTFWWKZFNI-GDBMZVCRSA-N 1 1 387.549 4.023 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181453373 821832344 /nfs/dbraw/zinc/83/23/44/821832344.db2.gz MCAZRFDIBDTSDO-APWZRJJASA-N 1 1 397.588 4.425 20 0 GIADMO Cc1ncsc1C[N@@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181455282 821833748 /nfs/dbraw/zinc/83/37/48/821833748.db2.gz GWUVWBUIBRTYAY-MRXNPFEDSA-N 1 1 397.466 4.093 20 0 GIADMO Cc1ncsc1C[N@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181455282 821833760 /nfs/dbraw/zinc/83/37/60/821833760.db2.gz GWUVWBUIBRTYAY-MRXNPFEDSA-N 1 1 397.466 4.093 20 0 GIADMO Brc1cccc(C2([NH2+]Cc3nnc(C4CC4)n3C3CC3)CCC2)c1 ZINC000181455082 821833902 /nfs/dbraw/zinc/83/39/02/821833902.db2.gz ZZPIDSLWXPITJD-UHFFFAOYSA-N 1 1 387.325 4.422 20 0 GIADMO COc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1OCC(C)C ZINC000181473998 821842320 /nfs/dbraw/zinc/84/23/20/821842320.db2.gz DGKCNVYLNFINCV-MJGOQNOKSA-N 1 1 388.552 4.113 20 0 GIADMO C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181486255 821847836 /nfs/dbraw/zinc/84/78/36/821847836.db2.gz DARBMSUMBNWQOX-SJORKVTESA-N 1 1 378.944 4.268 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)c(Br)c1 ZINC000181498635 821854760 /nfs/dbraw/zinc/85/47/60/821854760.db2.gz CBOQPZDFSCKNGF-LBPRGKRZSA-N 1 1 377.282 4.267 20 0 GIADMO COc1ccc2cccc(CC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2c1 ZINC000181505947 821857477 /nfs/dbraw/zinc/85/74/77/821857477.db2.gz TYKOXSRQMUIGFQ-PXNSSMCTSA-N 1 1 380.532 4.160 20 0 GIADMO Cc1ccc(Br)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181505630 821857647 /nfs/dbraw/zinc/85/76/47/821857647.db2.gz FEKGOLIADTVMIQ-LSDHHAIUSA-N 1 1 379.342 4.140 20 0 GIADMO CN(C[C@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000181509301 821859988 /nfs/dbraw/zinc/85/99/88/821859988.db2.gz VNADPUNHVLSKOP-KNQAVFIVSA-N 1 1 387.568 4.466 20 0 GIADMO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181513065 821862095 /nfs/dbraw/zinc/86/20/95/821862095.db2.gz IJRZKNAKJNCFSB-YOEHRIQHSA-N 1 1 375.582 4.492 20 0 GIADMO CC[N@H+](CCCC(=O)OC(C)(C)C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000181518229 821863695 /nfs/dbraw/zinc/86/36/95/821863695.db2.gz BAUJXIXYPUILDR-UHFFFAOYSA-N 1 1 389.323 4.376 20 0 GIADMO CC[N@@H+](CCCC(=O)OC(C)(C)C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000181518229 821863706 /nfs/dbraw/zinc/86/37/06/821863706.db2.gz BAUJXIXYPUILDR-UHFFFAOYSA-N 1 1 389.323 4.376 20 0 GIADMO O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000181521976 821865505 /nfs/dbraw/zinc/86/55/05/821865505.db2.gz HHLCGFWOFLOMQE-NRFANRHFSA-N 1 1 377.488 4.075 20 0 GIADMO C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181524625 821865764 /nfs/dbraw/zinc/86/57/64/821865764.db2.gz YZLSQBUUFQLSMB-KBPBESRZSA-N 1 1 385.335 4.141 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)s2)o1 ZINC000181528694 821867347 /nfs/dbraw/zinc/86/73/47/821867347.db2.gz HSMIOPLQHKWEDM-HOCLYGCPSA-N 1 1 387.549 4.403 20 0 GIADMO Cc1c(Br)cccc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181530913 821868752 /nfs/dbraw/zinc/86/87/52/821868752.db2.gz MJHZVKVBAUVFTJ-HUUCEWRRSA-N 1 1 379.342 4.140 20 0 GIADMO C[C@@H](NC(=O)c1cnc(Cc2ccccc2)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181531406 821869059 /nfs/dbraw/zinc/86/90/59/821869059.db2.gz FTZRNLRXIXRKRZ-SJLPKXTDSA-N 1 1 383.561 4.117 20 0 GIADMO COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCC[N@@H+](C)CC2)cc1F ZINC000181538351 821872980 /nfs/dbraw/zinc/87/29/80/821872980.db2.gz YOCUFAZAPSHAIH-UHFFFAOYSA-N 1 1 387.455 4.104 20 0 GIADMO O=C(CC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000181564934 821882831 /nfs/dbraw/zinc/88/28/31/821882831.db2.gz IZPBSCFEODBFAL-INIZCTEOSA-N 1 1 393.314 4.266 20 0 GIADMO O=C(CC[N@H+]1CCO[C@@H](Cc2ccccc2)C1)Nc1c(Cl)cccc1Cl ZINC000181564934 821882839 /nfs/dbraw/zinc/88/28/39/821882839.db2.gz IZPBSCFEODBFAL-INIZCTEOSA-N 1 1 393.314 4.266 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccccn1 ZINC000181594884 821895217 /nfs/dbraw/zinc/89/52/17/821895217.db2.gz LQWKMKFWUFVZPL-PBHICJAKSA-N 1 1 396.541 4.233 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)cc1 ZINC000181624230 821908943 /nfs/dbraw/zinc/90/89/43/821908943.db2.gz ONYULHDMJYZFQM-HXUWFJFHSA-N 1 1 389.446 4.239 20 0 GIADMO Cc1csc2nc(C[NH2+][C@@H](c3ccc(F)cc3F)C(C)(C)C)cc(=O)n12 ZINC000181631625 821912987 /nfs/dbraw/zinc/91/29/87/821912987.db2.gz CSDLOYNXXNONAG-KRWDZBQOSA-N 1 1 377.460 4.220 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 ZINC000181649662 821922222 /nfs/dbraw/zinc/92/22/22/821922222.db2.gz ZLKWYVGELJGFEH-LJQANCHMSA-N 1 1 381.501 4.034 20 0 GIADMO C[C@H](NC(=O)c1ccc(OCc2ccccc2)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181659160 821927496 /nfs/dbraw/zinc/92/74/96/821927496.db2.gz GQEPEWIEFLZLTE-GHTZIAJQSA-N 1 1 393.531 4.043 20 0 GIADMO C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181665979 821932699 /nfs/dbraw/zinc/93/26/99/821932699.db2.gz OZYKUWXEMCQGTB-QUCCMNQESA-N 1 1 395.547 4.434 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c(Br)c1 ZINC000181670636 821935428 /nfs/dbraw/zinc/93/54/28/821935428.db2.gz DPIKPZRURKOECS-CYBMUJFWSA-N 1 1 392.293 4.470 20 0 GIADMO C[C@@H](NC(=O)c1cccnc1SC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670132 821935777 /nfs/dbraw/zinc/93/57/77/821935777.db2.gz AKHUSRSQJZROKV-OLZOCXBDSA-N 1 1 387.471 4.076 20 0 GIADMO CCC[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc(F)cc1F ZINC000181672838 821936991 /nfs/dbraw/zinc/93/69/91/821936991.db2.gz BLXMICHZEKRJQO-HNNXBMFYSA-N 1 1 389.471 4.383 20 0 GIADMO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698488 821948473 /nfs/dbraw/zinc/94/84/73/821948473.db2.gz DMHFFMGAJONNGC-JXFKEZNVSA-N 1 1 392.971 4.387 20 0 GIADMO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698488 821948477 /nfs/dbraw/zinc/94/84/77/821948477.db2.gz DMHFFMGAJONNGC-JXFKEZNVSA-N 1 1 392.971 4.387 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000181749506 821975418 /nfs/dbraw/zinc/97/54/18/821975418.db2.gz VHBYMIALXAVRQS-GOSISDBHSA-N 1 1 383.536 4.292 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1cccc(N2CCCC2=O)c1 ZINC000181765205 821982925 /nfs/dbraw/zinc/98/29/25/821982925.db2.gz UPTXXGAIPJIDEG-HNNXBMFYSA-N 1 1 396.441 4.128 20 0 GIADMO C[C@H]([NH2+]CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccn1 ZINC000181785619 821991400 /nfs/dbraw/zinc/99/14/00/821991400.db2.gz MLYSYPRDGVSEGO-RXVVDRJESA-N 1 1 398.510 4.162 20 0 GIADMO C/C(=C\c1ccc(C)cc1)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000181791216 821993964 /nfs/dbraw/zinc/99/39/64/821993964.db2.gz WQSORHIGQCUKQD-GHRIWEEISA-N 1 1 381.520 4.032 20 0 GIADMO CN(C)C(=O)Cc1nc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)cs1 ZINC000181951283 822043489 /nfs/dbraw/zinc/04/34/89/822043489.db2.gz AKSLQXYDQXTTDE-OAGJVSPASA-N 1 1 389.590 4.293 20 0 GIADMO CN(C)C(=O)Cc1nc(C[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)cs1 ZINC000181951283 822043494 /nfs/dbraw/zinc/04/34/94/822043494.db2.gz AKSLQXYDQXTTDE-OAGJVSPASA-N 1 1 389.590 4.293 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc(OC)cc3)co2)cc1 ZINC000182003028 822059429 /nfs/dbraw/zinc/05/94/29/822059429.db2.gz MJUPMOBPZUXVCS-OAHLLOKOSA-N 1 1 380.444 4.330 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc(OC)cc3)co2)cc1 ZINC000182003028 822059433 /nfs/dbraw/zinc/05/94/33/822059433.db2.gz MJUPMOBPZUXVCS-OAHLLOKOSA-N 1 1 380.444 4.330 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)c(Br)c1 ZINC000182006167 822060038 /nfs/dbraw/zinc/06/00/38/822060038.db2.gz ILMGTVUFVPKYGS-YTEVENLXSA-N 1 1 382.323 4.046 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(-n4ccnn4)cc3)co2)cc1 ZINC000182055930 822076579 /nfs/dbraw/zinc/07/65/79/822076579.db2.gz RJDXWLFYNALKGE-INIZCTEOSA-N 1 1 389.459 4.172 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)C[N@@H+](C)Cc3ccccc3)o2)cc1 ZINC000182076382 822083393 /nfs/dbraw/zinc/08/33/93/822083393.db2.gz RRYBBESJPHVSKY-LJQANCHMSA-N 1 1 391.515 4.219 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@@H]3CCCOc4c(Cl)cccc43)CC2)[nH+]c1 ZINC000182120078 822102361 /nfs/dbraw/zinc/10/23/61/822102361.db2.gz PMAABEVHXDALFM-LJQANCHMSA-N 1 1 399.922 4.290 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)o1 ZINC000182194312 822141127 /nfs/dbraw/zinc/14/11/27/822141127.db2.gz JLHGWFIQFSXUFF-IBGZPJMESA-N 1 1 393.418 4.086 20 0 GIADMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000182242275 822163559 /nfs/dbraw/zinc/16/35/59/822163559.db2.gz FGSAQKCSEHMYLQ-MRXNPFEDSA-N 1 1 390.524 4.196 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](CCCOCc2ccccc2)CC1 ZINC000182261358 822174411 /nfs/dbraw/zinc/17/44/11/822174411.db2.gz AKPMTQSAKAVEAA-UHFFFAOYSA-N 1 1 386.923 4.095 20 0 GIADMO CCOc1cccc2cc([C@@H](C)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)oc21 ZINC000182267762 822179081 /nfs/dbraw/zinc/17/90/81/822179081.db2.gz RGWGQOCZODUGOA-UTKZUKDTSA-N 1 1 394.515 4.249 20 0 GIADMO CCOc1cccc2cc([C@@H](C)NCc3ccccc3C[N@H+]3CC[C@H](O)C3)oc21 ZINC000182267762 822179086 /nfs/dbraw/zinc/17/90/86/822179086.db2.gz RGWGQOCZODUGOA-UTKZUKDTSA-N 1 1 394.515 4.249 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)co2)cc1 ZINC000182351313 822211290 /nfs/dbraw/zinc/21/12/90/822211290.db2.gz QHDUEIZDPLTQAI-HXUWFJFHSA-N 1 1 391.471 4.205 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)co2)cc1 ZINC000182351313 822211297 /nfs/dbraw/zinc/21/12/97/822211297.db2.gz QHDUEIZDPLTQAI-HXUWFJFHSA-N 1 1 391.471 4.205 20 0 GIADMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355036 822212778 /nfs/dbraw/zinc/21/27/78/822212778.db2.gz KWIDZBNWBMDFLK-GXTWGEPZSA-N 1 1 383.876 4.126 20 0 GIADMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355036 822212786 /nfs/dbraw/zinc/21/27/86/822212786.db2.gz KWIDZBNWBMDFLK-GXTWGEPZSA-N 1 1 383.876 4.126 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1c(C)noc1C ZINC000182389380 822225606 /nfs/dbraw/zinc/22/56/06/822225606.db2.gz NFNGWKAPHVGKFB-YADHBBJMSA-N 1 1 391.515 4.432 20 0 GIADMO COc1ccc([C@H](CCO)[NH2+]Cc2csc(-c3cccc(OC)c3)n2)cc1 ZINC000182392077 822227158 /nfs/dbraw/zinc/22/71/58/822227158.db2.gz KMHRWZQLQVABPG-FQEVSTJZSA-N 1 1 384.501 4.041 20 0 GIADMO CC(C)Oc1cccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182404007 822231676 /nfs/dbraw/zinc/23/16/76/822231676.db2.gz BTKDDNIIQIZDSG-NLWGTHIKSA-N 1 1 387.568 4.487 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1c(C)noc1C ZINC000182410059 822232996 /nfs/dbraw/zinc/23/29/96/822232996.db2.gz VPDNQNJQFBNIQZ-OAHLLOKOSA-N 1 1 388.468 4.233 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cccc(O)c1 ZINC000182410532 822233395 /nfs/dbraw/zinc/23/33/95/822233395.db2.gz DQBNGQQYPMFEBG-UHFFFAOYSA-N 1 1 379.287 4.093 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182470124 822255395 /nfs/dbraw/zinc/25/53/95/822255395.db2.gz BRCYSDOQAQDVGL-DQLDELGASA-N 1 1 380.536 4.247 20 0 GIADMO COC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1ccc(F)c(F)c1 ZINC000182477273 822258161 /nfs/dbraw/zinc/25/81/61/822258161.db2.gz YOAPUENYINXCMF-FQEVSTJZSA-N 1 1 375.463 4.218 20 0 GIADMO CC(=O)c1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000182486507 822261939 /nfs/dbraw/zinc/26/19/39/822261939.db2.gz JPDVDSDWDQVZQT-LBPRGKRZSA-N 1 1 391.924 4.172 20 0 GIADMO CC(=O)c1ccc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1Cl ZINC000182486507 822261948 /nfs/dbraw/zinc/26/19/48/822261948.db2.gz JPDVDSDWDQVZQT-LBPRGKRZSA-N 1 1 391.924 4.172 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1cccnc1Cl ZINC000177996685 822275342 /nfs/dbraw/zinc/27/53/42/822275342.db2.gz BHWKHLCYKCVKBO-IEBWSBKVSA-N 1 1 387.911 4.042 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1cccnc1Cl ZINC000177996685 822275349 /nfs/dbraw/zinc/27/53/49/822275349.db2.gz BHWKHLCYKCVKBO-IEBWSBKVSA-N 1 1 387.911 4.042 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)c1c(C)noc1C ZINC000182513705 822276824 /nfs/dbraw/zinc/27/68/24/822276824.db2.gz VTVUTNUATISVSF-CQSZACIVSA-N 1 1 380.286 4.042 20 0 GIADMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182513334 822276841 /nfs/dbraw/zinc/27/68/41/822276841.db2.gz LOAPHIYBQVUCSE-CQSZACIVSA-N 1 1 375.435 4.051 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)C1 ZINC000178013209 822282543 /nfs/dbraw/zinc/28/25/43/822282543.db2.gz PXWNBFAXGXMMDY-SFHVURJKSA-N 1 1 394.519 4.053 20 0 GIADMO CCc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C[N@H+](C)CC)C3)cn2)c1 ZINC000178014820 822283287 /nfs/dbraw/zinc/28/32/87/822283287.db2.gz ZLYMPHQTNPRBKB-GOSISDBHSA-N 1 1 382.508 4.242 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2csc(Br)c2)C1)c1ccccc1 ZINC000178042594 822295920 /nfs/dbraw/zinc/29/59/20/822295920.db2.gz ZIXDLGHACTZMPS-CQSZACIVSA-N 1 1 393.350 4.153 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2csc(Br)c2)C1)c1ccccc1 ZINC000178042594 822295928 /nfs/dbraw/zinc/29/59/28/822295928.db2.gz ZIXDLGHACTZMPS-CQSZACIVSA-N 1 1 393.350 4.153 20 0 GIADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)OC)c(F)c2)C1 ZINC000182560033 822302265 /nfs/dbraw/zinc/30/22/65/822302265.db2.gz AAZWQGSVHUJLJO-CQSZACIVSA-N 1 1 394.491 4.026 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1)c1ccccc1 ZINC000178062571 822305713 /nfs/dbraw/zinc/30/57/13/822305713.db2.gz KSJXGSLVJPRUMX-AWEZNQCLSA-N 1 1 393.350 4.153 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2sccc2Br)C1)c1ccccc1 ZINC000178062571 822305721 /nfs/dbraw/zinc/30/57/21/822305721.db2.gz KSJXGSLVJPRUMX-AWEZNQCLSA-N 1 1 393.350 4.153 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000182570372 822307284 /nfs/dbraw/zinc/30/72/84/822307284.db2.gz AFCXDUFQNNVUHR-NRFANRHFSA-N 1 1 397.567 4.305 20 0 GIADMO COc1ccc([C@H](C)NCc2ccc(CO)c(F)c2)cc1C[NH+]1CCCCC1 ZINC000182576822 822309653 /nfs/dbraw/zinc/30/96/53/822309653.db2.gz JJHIXIMGNGPCPE-KRWDZBQOSA-N 1 1 386.511 4.163 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178074155 822309670 /nfs/dbraw/zinc/30/96/70/822309670.db2.gz GSSUHXAAVULSAY-HNNXBMFYSA-N 1 1 390.516 4.253 20 0 GIADMO Clc1ccccc1C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000178076645 822310346 /nfs/dbraw/zinc/31/03/46/822310346.db2.gz FGMYTWMUQTZFSR-OAQYLSRUSA-N 1 1 389.890 4.389 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000178089413 822315254 /nfs/dbraw/zinc/31/52/54/822315254.db2.gz WZHSUHSFIRAVRJ-IBGZPJMESA-N 1 1 399.583 4.190 20 0 GIADMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)c1 ZINC000178105866 822321860 /nfs/dbraw/zinc/32/18/60/822321860.db2.gz UVSZUPOKTBAAFO-FYYLOGMGSA-N 1 1 393.508 4.293 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1)c1ccccc1 ZINC000178131446 822327921 /nfs/dbraw/zinc/32/79/21/822327921.db2.gz BQGFENKYNXCFSR-FDDCHVKYSA-N 1 1 390.531 4.441 20 0 GIADMO COC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000182644372 822336573 /nfs/dbraw/zinc/33/65/73/822336573.db2.gz RWEKTXKZISGOED-OAQYLSRUSA-N 1 1 388.458 4.068 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000178169322 822340212 /nfs/dbraw/zinc/34/02/12/822340212.db2.gz YNHYOCBTSIXIBY-LAUBAEHRSA-N 1 1 380.536 4.189 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000178169322 822340219 /nfs/dbraw/zinc/34/02/19/822340219.db2.gz YNHYOCBTSIXIBY-LAUBAEHRSA-N 1 1 380.536 4.189 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000178169322 822340231 /nfs/dbraw/zinc/34/02/31/822340231.db2.gz YNHYOCBTSIXIBY-LAUBAEHRSA-N 1 1 380.536 4.189 20 0 GIADMO O=C(Nc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1)c1ccoc1 ZINC000178173845 822341574 /nfs/dbraw/zinc/34/15/74/822341574.db2.gz WKKDVIDSEQYWAM-INIZCTEOSA-N 1 1 381.476 4.125 20 0 GIADMO CC[C@H](C)[C@H](C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccccc1 ZINC000178182549 822344962 /nfs/dbraw/zinc/34/49/62/822344962.db2.gz UJXWUDKWGRICMN-AOMKIAJQSA-N 1 1 380.536 4.008 20 0 GIADMO CC[C@@H](CC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(C)cc1 ZINC000178189977 822347059 /nfs/dbraw/zinc/34/70/59/822347059.db2.gz UGXQMRZMHFOLDE-IBGZPJMESA-N 1 1 380.536 4.071 20 0 GIADMO Cc1cc(N2CCC(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)nc(C)[nH+]1 ZINC000178191233 822347924 /nfs/dbraw/zinc/34/79/24/822347924.db2.gz NBJQBZXPKBLUIK-SYQRVOMBSA-N 1 1 396.579 4.175 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1OC(F)(F)F ZINC000178201006 822350423 /nfs/dbraw/zinc/35/04/23/822350423.db2.gz JFULCBWNTDTTJY-SECBINFHSA-N 1 1 392.299 4.292 20 0 GIADMO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(N2CCCC2)c1 ZINC000182720398 822357622 /nfs/dbraw/zinc/35/76/22/822357622.db2.gz CYYDNXPWNNHSTC-IRFCIJBXSA-N 1 1 398.595 4.300 20 0 GIADMO C[C@H](N1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000178243360 822357846 /nfs/dbraw/zinc/35/78/46/822357846.db2.gz VRSYXDWXPGCUNX-ZDUSSCGKSA-N 1 1 384.364 4.043 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045033992 822358651 /nfs/dbraw/zinc/35/86/51/822358651.db2.gz NEGICYHYVHUATH-ROUUACIJSA-N 1 1 398.469 4.098 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1)C(=O)NCCc1ccccc1 ZINC000453412265 822359393 /nfs/dbraw/zinc/35/93/93/822359393.db2.gz RDFFLRMGIHUGAW-RBUKOAKNSA-N 1 1 389.499 4.272 20 0 GIADMO CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000453429894 822361782 /nfs/dbraw/zinc/36/17/82/822361782.db2.gz CMWLYCDRMZQANX-MRXNPFEDSA-N 1 1 391.947 4.012 20 0 GIADMO c1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2nnc4n2CCCCC4)CCC3)cc1 ZINC000178283720 822363266 /nfs/dbraw/zinc/36/32/66/822363266.db2.gz JQBRSONZXWZMIK-INIZCTEOSA-N 1 1 379.533 4.295 20 0 GIADMO C[C@@H](CNC(=O)N[C@H](c1ccco1)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000045154294 822366754 /nfs/dbraw/zinc/36/67/54/822366754.db2.gz CQBNDDYFBZIACL-KKSFZXQISA-N 1 1 395.528 4.177 20 0 GIADMO C[C@@H](CNC(=O)N[C@H](c1ccco1)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000045154294 822366758 /nfs/dbraw/zinc/36/67/58/822366758.db2.gz CQBNDDYFBZIACL-KKSFZXQISA-N 1 1 395.528 4.177 20 0 GIADMO CCN(c1nnc([C@@H]2CC[C@H](C)O2)n1CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000453457376 822367547 /nfs/dbraw/zinc/36/75/47/822367547.db2.gz ATWUCXXAOANMLQ-YHELAOLJSA-N 1 1 397.567 4.200 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1coc(-c2ccc(I)cc2)n1 ZINC000182814615 822372027 /nfs/dbraw/zinc/37/20/27/822372027.db2.gz STWUBMJKPGJXSK-UHFFFAOYSA-N 1 1 393.228 4.314 20 0 GIADMO C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182822019 822373146 /nfs/dbraw/zinc/37/31/46/822373146.db2.gz NNDGZITXHYBIEP-HOCLYGCPSA-N 1 1 386.927 4.113 20 0 GIADMO C[C@H](NC(=O)Nc1cccc(Cl)c1N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182834037 822375214 /nfs/dbraw/zinc/37/52/14/822375214.db2.gz RETAOGKMOVIBDF-GJZGRUSLSA-N 1 1 378.948 4.181 20 0 GIADMO Cc1nc(-c2ccc(CNC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)o2)cs1 ZINC000045275138 822375534 /nfs/dbraw/zinc/37/55/34/822375534.db2.gz ZXDKLBNCQWQNHA-HNNXBMFYSA-N 1 1 390.553 4.023 20 0 GIADMO COc1c(C)cc(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000182841848 822376727 /nfs/dbraw/zinc/37/67/27/822376727.db2.gz YSJLKNUJFBVPDB-ICSRJNTNSA-N 1 1 387.568 4.106 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182841880 822376744 /nfs/dbraw/zinc/37/67/44/822376744.db2.gz KQOZTBZGLQHUGM-HIFRSBDPSA-N 1 1 398.404 4.014 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182841880 822376749 /nfs/dbraw/zinc/37/67/49/822376749.db2.gz KQOZTBZGLQHUGM-HIFRSBDPSA-N 1 1 398.404 4.014 20 0 GIADMO C[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182845497 822377633 /nfs/dbraw/zinc/37/76/33/822377633.db2.gz XBPPOQKUUVNTAI-CTNGQTDRSA-N 1 1 399.579 4.030 20 0 GIADMO Cc1[nH]c2c(cccc2C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)c1C ZINC000045314072 822378267 /nfs/dbraw/zinc/37/82/67/822378267.db2.gz CIZNFOKJRAMVOT-UHFFFAOYSA-N 1 1 398.510 4.291 20 0 GIADMO Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000045317404 822378502 /nfs/dbraw/zinc/37/85/02/822378502.db2.gz HXAWOWZZIXCLCB-UHFFFAOYSA-N 1 1 382.533 4.490 20 0 GIADMO O=C(Nc1ccccc1OC(F)(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178434233 822378694 /nfs/dbraw/zinc/37/86/94/822378694.db2.gz YFQWBANNWVXFTD-CZUORRHYSA-N 1 1 383.414 4.066 20 0 GIADMO O=C(Nc1cccc(OC2CCCC2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178436680 822378941 /nfs/dbraw/zinc/37/89/41/822378941.db2.gz BEUCQKMCGBBXFK-VGSWGCGISA-N 1 1 383.536 4.489 20 0 GIADMO O=C(Nc1ccccc1OC1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178442729 822379351 /nfs/dbraw/zinc/37/93/51/822379351.db2.gz IJLFNUVHSHNVGC-DYESRHJHSA-N 1 1 383.536 4.489 20 0 GIADMO CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccs1 ZINC000453502427 822379469 /nfs/dbraw/zinc/37/94/69/822379469.db2.gz RCXWMSRHWAHZQV-IAGOWNOFSA-N 1 1 387.597 4.212 20 0 GIADMO CC(C)[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2Cc2cccs2)CC1 ZINC000453505176 822379797 /nfs/dbraw/zinc/37/97/97/822379797.db2.gz TYSDIHWCKQOELY-UHFFFAOYSA-N 1 1 399.539 4.115 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc21 ZINC000178449296 822379991 /nfs/dbraw/zinc/37/99/91/822379991.db2.gz QAEKPWOKTXAKPD-PXNSSMCTSA-N 1 1 381.524 4.098 20 0 GIADMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3ncc(Cl)n3C)s2)cc1 ZINC000178449559 822380116 /nfs/dbraw/zinc/38/01/16/822380116.db2.gz SWQXVJMDAYTPBU-LLVKDONJSA-N 1 1 376.913 4.365 20 0 GIADMO CSCC[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1nnc2ccccn21 ZINC000178455305 822380863 /nfs/dbraw/zinc/38/08/63/822380863.db2.gz RTZSZMHBASDJFM-HNAYVOBHSA-N 1 1 377.517 4.423 20 0 GIADMO CC(=O)Nc1cccc(C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000178467953 822382181 /nfs/dbraw/zinc/38/21/81/822382181.db2.gz DCXQECDYRZFOBD-IBGZPJMESA-N 1 1 377.529 4.016 20 0 GIADMO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(CO)cc1 ZINC000182870060 822383062 /nfs/dbraw/zinc/38/30/62/822383062.db2.gz XCCNMWDHPUTXSC-UHFFFAOYSA-N 1 1 380.410 4.047 20 0 GIADMO CC(C)Cn1ncnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000182876369 822384128 /nfs/dbraw/zinc/38/41/28/822384128.db2.gz KFTTYYZMSKATHG-SFHVURJKSA-N 1 1 380.540 4.244 20 0 GIADMO CC(C)Cn1ncnc1C[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000182876369 822384134 /nfs/dbraw/zinc/38/41/34/822384134.db2.gz KFTTYYZMSKATHG-SFHVURJKSA-N 1 1 380.540 4.244 20 0 GIADMO CCc1cccc(CC)c1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182881074 822385314 /nfs/dbraw/zinc/38/53/14/822385314.db2.gz CRTCYCYOQPHFFC-JOCHJYFZSA-N 1 1 395.547 4.090 20 0 GIADMO C[C@H](NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182888980 822386760 /nfs/dbraw/zinc/38/67/60/822386760.db2.gz QMCMIPKVXLMWOX-HRCADAONSA-N 1 1 379.495 4.320 20 0 GIADMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182891750 822387285 /nfs/dbraw/zinc/38/72/85/822387285.db2.gz DYCWZHNCXJRYPH-FUHWJXTLSA-N 1 1 398.551 4.118 20 0 GIADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178531323 822388535 /nfs/dbraw/zinc/38/85/35/822388535.db2.gz GISJLCPRZIZQEM-JSGCOSHPSA-N 1 1 377.872 4.115 20 0 GIADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178531323 822388538 /nfs/dbraw/zinc/38/85/38/822388538.db2.gz GISJLCPRZIZQEM-JSGCOSHPSA-N 1 1 377.872 4.115 20 0 GIADMO COc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000178543159 822390048 /nfs/dbraw/zinc/39/00/48/822390048.db2.gz LLLNXJXRMNFSEO-KNQAVFIVSA-N 1 1 379.504 4.214 20 0 GIADMO Brc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)nc1 ZINC000453608382 822392419 /nfs/dbraw/zinc/39/24/19/822392419.db2.gz GZXRXENMDGZXRV-KRWDZBQOSA-N 1 1 389.322 4.428 20 0 GIADMO Brc1ccc([C@@H]2CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)nc1 ZINC000453608382 822392422 /nfs/dbraw/zinc/39/24/22/822392422.db2.gz GZXRXENMDGZXRV-KRWDZBQOSA-N 1 1 389.322 4.428 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000178579772 822393796 /nfs/dbraw/zinc/39/37/96/822393796.db2.gz XFXGTAINUPSVOK-HNNXBMFYSA-N 1 1 397.425 4.471 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182924541 822393795 /nfs/dbraw/zinc/39/37/95/822393795.db2.gz ZVAYHUVHBRVLHN-CVEARBPZSA-N 1 1 386.565 4.091 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000178579772 822393801 /nfs/dbraw/zinc/39/38/01/822393801.db2.gz XFXGTAINUPSVOK-HNNXBMFYSA-N 1 1 397.425 4.471 20 0 GIADMO C[C@H](NC(=O)N(Cc1ccccc1)CC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182934687 822395863 /nfs/dbraw/zinc/39/58/63/822395863.db2.gz CDHDWKDSCBLHOK-WMZOPIPTSA-N 1 1 379.495 4.116 20 0 GIADMO C[N@@H+](CCCNC(=O)c1ccc(COc2ccc(F)cc2)o1)Cc1ccccc1 ZINC000045580973 822396880 /nfs/dbraw/zinc/39/68/80/822396880.db2.gz RKDHHHRJZCQEBI-UHFFFAOYSA-N 1 1 396.462 4.250 20 0 GIADMO COc1ccc(CN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182952081 822398911 /nfs/dbraw/zinc/39/89/11/822398911.db2.gz IQQFGTFYMPGKII-PKOBYXMFSA-N 1 1 385.552 4.022 20 0 GIADMO CCO[C@@H]1C[C@H](Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)C12CCC2 ZINC000182968053 822401335 /nfs/dbraw/zinc/40/13/35/822401335.db2.gz IMIFIAKFMYRGLN-LEWJYISDSA-N 1 1 385.552 4.179 20 0 GIADMO Cc1ccc(N[C@@H](C)c2cnn(C(C)C)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182967859 822401343 /nfs/dbraw/zinc/40/13/43/822401343.db2.gz LSGVHRYDKOZBID-SFHVURJKSA-N 1 1 383.540 4.370 20 0 GIADMO COC[C@H](Cc1ccccc1)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000182967959 822401387 /nfs/dbraw/zinc/40/13/87/822401387.db2.gz UMOGFFPCYFAFRG-QFIPXVFZSA-N 1 1 395.547 4.089 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178703802 822404282 /nfs/dbraw/zinc/40/42/82/822404282.db2.gz DGBSOMDKOAOXOU-YCRPNKLZSA-N 1 1 384.476 4.064 20 0 GIADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N[C@H](C)c1cc2ccccc2o1 ZINC000182994393 822407572 /nfs/dbraw/zinc/40/75/72/822407572.db2.gz YLELWFHIISERGK-MRXNPFEDSA-N 1 1 393.487 4.002 20 0 GIADMO CCSc1ccccc1[C@H](C)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183001802 822409006 /nfs/dbraw/zinc/40/90/06/822409006.db2.gz WBVJSAJJYJEEFR-OXJNMPFZSA-N 1 1 383.561 4.421 20 0 GIADMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000178779033 822409198 /nfs/dbraw/zinc/40/91/98/822409198.db2.gz KFWGFAKMJWHLJW-SFHVURJKSA-N 1 1 377.488 4.016 20 0 GIADMO COc1ccccc1CN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000045786400 822413504 /nfs/dbraw/zinc/41/35/04/822413504.db2.gz XQWINAKTLCLJRX-IBGZPJMESA-N 1 1 395.547 4.269 20 0 GIADMO CCN(Cc1ccccc1)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045787636 822413748 /nfs/dbraw/zinc/41/37/48/822413748.db2.gz UOUKPRBUXYIRCD-BGYRXZFFSA-N 1 1 395.547 4.028 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000178843644 822415801 /nfs/dbraw/zinc/41/58/01/822415801.db2.gz AWOJHBQOXLSKNB-MRXNPFEDSA-N 1 1 378.929 4.114 20 0 GIADMO CC(C)=CCC[C@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000453842980 822415810 /nfs/dbraw/zinc/41/58/10/822415810.db2.gz AUPPXDVMTGOHOC-ZWKOTPCHSA-N 1 1 385.552 4.236 20 0 GIADMO O=C(Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)N1CCCc2ccccc21 ZINC000183047608 822417305 /nfs/dbraw/zinc/41/73/05/822417305.db2.gz QGYGFLLOUJWXJK-DHIUTWEWSA-N 1 1 389.543 4.247 20 0 GIADMO Cc1ncsc1C[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000178861764 822417354 /nfs/dbraw/zinc/41/73/54/822417354.db2.gz VRNGNFQTPCSZAQ-UHFFFAOYSA-N 1 1 389.322 4.303 20 0 GIADMO Cc1ncsc1C[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000178861764 822417355 /nfs/dbraw/zinc/41/73/55/822417355.db2.gz VRNGNFQTPCSZAQ-UHFFFAOYSA-N 1 1 389.322 4.303 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000183054713 822418148 /nfs/dbraw/zinc/41/81/48/822418148.db2.gz YZOKAIYXNHRLPU-UHFFFAOYSA-N 1 1 381.497 4.056 20 0 GIADMO Cn1cc(C[N@H+](C)Cc2ccc(OCc3ccncc3)cc2)c(C(F)(F)F)n1 ZINC000178879408 822418616 /nfs/dbraw/zinc/41/86/16/822418616.db2.gz UCRZNATZVHCCIW-UHFFFAOYSA-N 1 1 390.409 4.045 20 0 GIADMO Cn1cc(C[N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)c(C(F)(F)F)n1 ZINC000178879408 822418617 /nfs/dbraw/zinc/41/86/17/822418617.db2.gz UCRZNATZVHCCIW-UHFFFAOYSA-N 1 1 390.409 4.045 20 0 GIADMO C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000178915372 822421503 /nfs/dbraw/zinc/42/15/03/822421503.db2.gz PGHYVFFVSHEDRK-IBGZPJMESA-N 1 1 397.588 4.337 20 0 GIADMO Cc1cc(N(C)C)cc(C)c1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000178932138 822422721 /nfs/dbraw/zinc/42/27/21/822422721.db2.gz WQBRMAJKYGOPQR-IBGZPJMESA-N 1 1 388.943 4.447 20 0 GIADMO C[C@H](Sc1nc(N)cc(N)[nH+]1)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000178937870 822423181 /nfs/dbraw/zinc/42/31/81/822423181.db2.gz DRNFNPMXMPYHFA-ZETCQYMHSA-N 1 1 382.276 4.456 20 0 GIADMO C[C@H](NCc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101530 822424483 /nfs/dbraw/zinc/42/44/83/822424483.db2.gz DJMKOMBEJBSSBG-FPOVZHCZSA-N 1 1 379.548 4.403 20 0 GIADMO C[C@H](NCc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101530 822424485 /nfs/dbraw/zinc/42/44/85/822424485.db2.gz DJMKOMBEJBSSBG-FPOVZHCZSA-N 1 1 379.548 4.403 20 0 GIADMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1ccccc1C ZINC000045933851 822424796 /nfs/dbraw/zinc/42/47/96/822424796.db2.gz XWCKETXMTSEBRW-OAQYLSRUSA-N 1 1 392.503 4.039 20 0 GIADMO Cc1cc2oc(=O)cc(C[NH2+][C@@H](C[S@](C)=O)c3ccccc3)c2cc1C(C)C ZINC000183128193 822427931 /nfs/dbraw/zinc/42/79/31/822427931.db2.gz LLOONGGMKDTGLM-KMRXNPHXSA-N 1 1 397.540 4.434 20 0 GIADMO C[N@H+](Cc1cccc2cnccc21)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000183140938 822430100 /nfs/dbraw/zinc/43/01/00/822430100.db2.gz VJZDNUUPCWSTGU-GOSISDBHSA-N 1 1 390.405 4.125 20 0 GIADMO c1nn(Cc2ccncc2)cc1N[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000183160857 822433495 /nfs/dbraw/zinc/43/34/95/822433495.db2.gz HXVAGRBTDFAIPL-QTJGBDASSA-N 1 1 387.531 4.039 20 0 GIADMO Cc1cc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000183165083 822434183 /nfs/dbraw/zinc/43/41/83/822434183.db2.gz QEHDUCHWTXOVSU-NFQMXDRXSA-N 1 1 399.947 4.315 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+](C)CCc3nccs3)cs2)cc1OC ZINC000179075553 822435862 /nfs/dbraw/zinc/43/58/62/822435862.db2.gz PXFHQFTXGBNYPQ-UHFFFAOYSA-N 1 1 389.546 4.348 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)CCc3nccs3)cs2)cc1OC ZINC000179075553 822435864 /nfs/dbraw/zinc/43/58/64/822435864.db2.gz PXFHQFTXGBNYPQ-UHFFFAOYSA-N 1 1 389.546 4.348 20 0 GIADMO CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3ccc(OC)c(COC)c3)cc2)CC1 ZINC000183181973 822436973 /nfs/dbraw/zinc/43/69/73/822436973.db2.gz RNRRZZAIIDKWLI-IBGZPJMESA-N 1 1 397.563 4.152 20 0 GIADMO COCCOc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000183190975 822438693 /nfs/dbraw/zinc/43/86/93/822438693.db2.gz MSDPVXLURZEDRV-NLWGTHIKSA-N 1 1 390.568 4.024 20 0 GIADMO COCCOc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000183190975 822438695 /nfs/dbraw/zinc/43/86/95/822438695.db2.gz MSDPVXLURZEDRV-NLWGTHIKSA-N 1 1 390.568 4.024 20 0 GIADMO O=C(c1nc2cc(Cl)ccc2s1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000454208235 822439079 /nfs/dbraw/zinc/43/90/79/822439079.db2.gz LWMXWDOSPGZNPP-LRDDRELGSA-N 1 1 375.925 4.039 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2)cc1 ZINC000183197115 822439837 /nfs/dbraw/zinc/43/98/37/822439837.db2.gz PWAVWNUPZPSLIY-DYESRHJHSA-N 1 1 399.560 4.049 20 0 GIADMO CCC(CC)n1ncc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C ZINC000179114606 822439926 /nfs/dbraw/zinc/43/99/26/822439926.db2.gz OERZKDHPWUSORU-IBGZPJMESA-N 1 1 376.932 4.239 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000454233718 822441697 /nfs/dbraw/zinc/44/16/97/822441697.db2.gz XIEDYVBUUHNAKR-UHFFFAOYSA-N 1 1 394.991 4.002 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000183216605 822442885 /nfs/dbraw/zinc/44/28/85/822442885.db2.gz JPWZRRLPRUHYRN-HNNXBMFYSA-N 1 1 375.341 4.095 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1cncc(Br)c1)c1ccc(F)cc1 ZINC000179161461 822445848 /nfs/dbraw/zinc/44/58/48/822445848.db2.gz WAYMSCFJYKDXQX-ZWKOTPCHSA-N 1 1 379.273 4.071 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1cncc(Br)c1)c1ccc(F)cc1 ZINC000179161461 822445851 /nfs/dbraw/zinc/44/58/51/822445851.db2.gz WAYMSCFJYKDXQX-ZWKOTPCHSA-N 1 1 379.273 4.071 20 0 GIADMO CCCc1ncc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)o1 ZINC000454264274 822446020 /nfs/dbraw/zinc/44/60/20/822446020.db2.gz LOVFCHRDNCUGPR-QGZVFWFLSA-N 1 1 384.524 4.001 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)CCCc3cccs3)CC[N@H+]2C2CC2)c1 ZINC000183249377 822448365 /nfs/dbraw/zinc/44/83/65/822448365.db2.gz GCYBHAVJRFZKON-IRLDBZIGSA-N 1 1 384.545 4.174 20 0 GIADMO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC000454276077 822448510 /nfs/dbraw/zinc/44/85/10/822448510.db2.gz XHLYYRCERRRQMN-XQBPLPMBSA-N 1 1 387.568 4.018 20 0 GIADMO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ncc(Br)s1 ZINC000179191243 822449032 /nfs/dbraw/zinc/44/90/32/822449032.db2.gz OHNHGCOOEUFINA-QWHCGFSZSA-N 1 1 384.343 4.376 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ncc(Br)s1 ZINC000179196459 822449609 /nfs/dbraw/zinc/44/96/09/822449609.db2.gz RFEPORGADCCFLM-LBPRGKRZSA-N 1 1 377.311 4.001 20 0 GIADMO C[C@H](C[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1)c1nccs1 ZINC000183260787 822450128 /nfs/dbraw/zinc/45/01/28/822450128.db2.gz ACXZPCJCFPGHEJ-GFCCVEGCSA-N 1 1 379.323 4.417 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ncc(Br)s1 ZINC000179214012 822452449 /nfs/dbraw/zinc/45/24/49/822452449.db2.gz HXJQEHBBOIYTFT-NWDGAFQWSA-N 1 1 394.338 4.444 20 0 GIADMO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ncc(Br)s1 ZINC000179216395 822452882 /nfs/dbraw/zinc/45/28/82/822452882.db2.gz OHEAMABXARDKRJ-HWPZZCPQSA-N 1 1 395.322 4.479 20 0 GIADMO COc1cccc([C@@H](CN[C@@H](c2ccccc2)c2ccc(F)cn2)[NH+](C)C)c1 ZINC000183281113 822453024 /nfs/dbraw/zinc/45/30/24/822453024.db2.gz LHPKFZLVFFQADU-PKTZIBPZSA-N 1 1 379.479 4.211 20 0 GIADMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000183300046 822455389 /nfs/dbraw/zinc/45/53/89/822455389.db2.gz BZCAYJGUNCJTRO-MJGOQNOKSA-N 1 1 387.911 4.423 20 0 GIADMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000046281769 822457720 /nfs/dbraw/zinc/45/77/20/822457720.db2.gz XSNGIJFQPSJYQC-INIZCTEOSA-N 1 1 394.544 4.057 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H](C(F)(F)F)C[C@H]2C)C1 ZINC000454326955 822458137 /nfs/dbraw/zinc/45/81/37/822458137.db2.gz OGXDZQKBBHFVGX-YYIAUSFCSA-N 1 1 377.495 4.117 20 0 GIADMO COc1cc(CN(C)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1SC ZINC000179274112 822459691 /nfs/dbraw/zinc/45/96/91/822459691.db2.gz VDKCKXWUMRKWNI-RXVVDRJESA-N 1 1 399.560 4.004 20 0 GIADMO COc1cc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1SC ZINC000179274126 822459797 /nfs/dbraw/zinc/45/97/97/822459797.db2.gz VDKCKXWUMRKWNI-NQIIRXRSSA-N 1 1 399.560 4.004 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cs1 ZINC000179281887 822460685 /nfs/dbraw/zinc/46/06/85/822460685.db2.gz VLQDELGLPJFZPM-SJORKVTESA-N 1 1 390.574 4.305 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cs1 ZINC000179281887 822460688 /nfs/dbraw/zinc/46/06/88/822460688.db2.gz VLQDELGLPJFZPM-SJORKVTESA-N 1 1 390.574 4.305 20 0 GIADMO CCn1cc([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000454355856 822461336 /nfs/dbraw/zinc/46/13/36/822461336.db2.gz ATSLJEJCGPNOBK-GOSISDBHSA-N 1 1 397.567 4.228 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[C@@]2(CCOC2)C1)C1CCCCC1 ZINC000454360332 822461750 /nfs/dbraw/zinc/46/17/50/822461750.db2.gz INPNVRFKSFHFEG-XMMPIXPASA-N 1 1 399.579 4.163 20 0 GIADMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3oc(=O)ccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000179304946 822463255 /nfs/dbraw/zinc/46/32/55/822463255.db2.gz XEVSWDZGQKUODQ-XLIONFOSSA-N 1 1 397.862 4.013 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3oc(=O)ccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000179304946 822463257 /nfs/dbraw/zinc/46/32/57/822463257.db2.gz XEVSWDZGQKUODQ-XLIONFOSSA-N 1 1 397.862 4.013 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCCOc2ccccc2)C[C@@H](C)O1 ZINC000046342189 822463487 /nfs/dbraw/zinc/46/34/87/822463487.db2.gz MVOGLNTYZJXUJR-RTBURBONSA-N 1 1 382.504 4.094 20 0 GIADMO CCOc1ccccc1CCC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000046342488 822463580 /nfs/dbraw/zinc/46/35/80/822463580.db2.gz UJSNORDBDMIUFQ-OALUTQOASA-N 1 1 396.531 4.266 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(Cl)c(Cl)n2C)C[C@@H](C)O1 ZINC000046345078 822464166 /nfs/dbraw/zinc/46/41/66/822464166.db2.gz XCJDZXKUMBVZOK-CHWSQXEVSA-N 1 1 396.318 4.193 20 0 GIADMO CSCC1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000454398772 822469028 /nfs/dbraw/zinc/46/90/28/822469028.db2.gz WSHPWXNBHDZTRB-UHFFFAOYSA-N 1 1 390.528 4.041 20 0 GIADMO CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046404053 822470590 /nfs/dbraw/zinc/47/05/90/822470590.db2.gz YIKSGAUAXXKRMQ-IBGZPJMESA-N 1 1 395.547 4.360 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1nccn1C ZINC000183413433 822471003 /nfs/dbraw/zinc/47/10/03/822471003.db2.gz JGIAVBXPVYIDAS-CYBMUJFWSA-N 1 1 376.220 4.442 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000454413309 822471683 /nfs/dbraw/zinc/47/16/83/822471683.db2.gz LXKYBHBQNHBOFI-LJQANCHMSA-N 1 1 385.577 4.153 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N(Cc1ccco1)Cc1ccco1 ZINC000046428873 822472409 /nfs/dbraw/zinc/47/24/09/822472409.db2.gz VBOBSIOFWKKTNI-UHFFFAOYSA-N 1 1 393.487 4.033 20 0 GIADMO CCOCc1ccccc1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183423958 822472600 /nfs/dbraw/zinc/47/26/00/822472600.db2.gz BPJNUDDFAKTTKG-UHFFFAOYSA-N 1 1 391.302 4.400 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@H](C)O1 ZINC000046432532 822472663 /nfs/dbraw/zinc/47/26/63/822472663.db2.gz FONFDNIVADOWTG-GASCZTMLSA-N 1 1 392.952 4.283 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@H](C)O1 ZINC000046432532 822472667 /nfs/dbraw/zinc/47/26/67/822472667.db2.gz FONFDNIVADOWTG-GASCZTMLSA-N 1 1 392.952 4.283 20 0 GIADMO CC(=O)N(c1nc(CN2CCC[N@H+](C3CC3)CC2)cs1)c1cccc(C)c1C ZINC000179374460 822473077 /nfs/dbraw/zinc/47/30/77/822473077.db2.gz WEETWXBQZQVWIW-UHFFFAOYSA-N 1 1 398.576 4.115 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(Cc3cccc(F)c3)C3CC3)cc2)C[C@H](C)O1 ZINC000046436883 822473026 /nfs/dbraw/zinc/47/30/26/822473026.db2.gz OMAXIIZNIKQPKQ-HDICACEKSA-N 1 1 396.506 4.240 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(Cc3cccc(F)c3)C3CC3)cc2)C[C@H](C)O1 ZINC000046436883 822473027 /nfs/dbraw/zinc/47/30/27/822473027.db2.gz OMAXIIZNIKQPKQ-HDICACEKSA-N 1 1 396.506 4.240 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(Cc3cccc(F)c3)C3CC3)cc2)C[C@@H](C)O1 ZINC000046436885 822473079 /nfs/dbraw/zinc/47/30/79/822473079.db2.gz OMAXIIZNIKQPKQ-QZTJIDSGSA-N 1 1 396.506 4.240 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000183447085 822476327 /nfs/dbraw/zinc/47/63/27/822476327.db2.gz DRLISSPCUKTSHO-LBPRGKRZSA-N 1 1 380.847 4.094 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000179399691 822477239 /nfs/dbraw/zinc/47/72/39/822477239.db2.gz OHCUJNJWIXTEBR-IBGZPJMESA-N 1 1 379.287 4.044 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000179399691 822477241 /nfs/dbraw/zinc/47/72/41/822477241.db2.gz OHCUJNJWIXTEBR-IBGZPJMESA-N 1 1 379.287 4.044 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000183474915 822481091 /nfs/dbraw/zinc/48/10/91/822481091.db2.gz AGQRMBKRFZNALJ-CYBMUJFWSA-N 1 1 375.440 4.295 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(Br)ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183480050 822482581 /nfs/dbraw/zinc/48/25/81/822482581.db2.gz DDPSFUQYZGIBBE-OLZOCXBDSA-N 1 1 398.320 4.363 20 0 GIADMO c1c(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)nnn1Cc1cccnc1 ZINC000183498033 822486262 /nfs/dbraw/zinc/48/62/62/822486262.db2.gz MCNODKIHZPZQMD-XMMPIXPASA-N 1 1 383.499 4.185 20 0 GIADMO c1c(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)nnn1Cc1cccnc1 ZINC000183498015 822486282 /nfs/dbraw/zinc/48/62/82/822486282.db2.gz MCNODKIHZPZQMD-DEOSSOPVSA-N 1 1 383.499 4.185 20 0 GIADMO COC[C@@H]1CCCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000454504664 822486450 /nfs/dbraw/zinc/48/64/50/822486450.db2.gz JPBHBOYDARAYCH-GOSISDBHSA-N 1 1 384.524 4.335 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C2CC2)n1 ZINC000183521377 822489266 /nfs/dbraw/zinc/48/92/66/822489266.db2.gz AAIHGBFQQPUTJH-SJCJKPOMSA-N 1 1 395.931 4.332 20 0 GIADMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C)n1Cc1cccs1 ZINC000179482120 822489338 /nfs/dbraw/zinc/48/93/38/822489338.db2.gz BXPJPIMDJQVRAX-IIBYNOLFSA-N 1 1 396.560 4.177 20 0 GIADMO CC[C@@H]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000454517626 822489502 /nfs/dbraw/zinc/48/95/02/822489502.db2.gz VBVVPRAJWCJNNX-WOJBJXKFSA-N 1 1 390.572 4.019 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2Br)[C@@H]1c1ccccc1 ZINC000179483918 822489569 /nfs/dbraw/zinc/48/95/69/822489569.db2.gz ZZKKNNRQMPDRFV-IRXDYDNUSA-N 1 1 392.272 4.155 20 0 GIADMO Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1-c1ncco1 ZINC000183526838 822490030 /nfs/dbraw/zinc/49/00/30/822490030.db2.gz COZWGFLJUAZZTR-IAGOWNOFSA-N 1 1 382.508 4.425 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183553377 822493856 /nfs/dbraw/zinc/49/38/56/822493856.db2.gz XNLXGVUUSSXTHH-SJKOYZFVSA-N 1 1 393.940 4.490 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)co2)cc1 ZINC000179516479 822494847 /nfs/dbraw/zinc/49/48/47/822494847.db2.gz UAZIGHKMVDUPJC-KRWDZBQOSA-N 1 1 393.491 4.115 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)co2)cc1 ZINC000179516479 822494849 /nfs/dbraw/zinc/49/48/49/822494849.db2.gz UAZIGHKMVDUPJC-KRWDZBQOSA-N 1 1 393.491 4.115 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000183567184 822495784 /nfs/dbraw/zinc/49/57/84/822495784.db2.gz UARQOWZNEXEDBP-NSHDSACASA-N 1 1 381.427 4.244 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)s1 ZINC000183567184 822495786 /nfs/dbraw/zinc/49/57/86/822495786.db2.gz UARQOWZNEXEDBP-NSHDSACASA-N 1 1 381.427 4.244 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)s1 ZINC000183568354 822495996 /nfs/dbraw/zinc/49/59/96/822495996.db2.gz 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CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OCC(F)F)cc1 ZINC000179574628 822505592 /nfs/dbraw/zinc/50/55/92/822505592.db2.gz QLFCMWKYYJFEAN-UHFFFAOYSA-N 1 1 384.373 4.069 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OCC(F)F)cc1 ZINC000179574628 822505593 /nfs/dbraw/zinc/50/55/93/822505593.db2.gz QLFCMWKYYJFEAN-UHFFFAOYSA-N 1 1 384.373 4.069 20 0 GIADMO CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1OC ZINC000046688835 822505688 /nfs/dbraw/zinc/50/56/88/822505688.db2.gz SUVMCIQXKNLVDJ-OAQYLSRUSA-N 1 1 381.520 4.064 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183654445 822506565 /nfs/dbraw/zinc/50/65/65/822506565.db2.gz NACPSAJOHDWNRH-KGLIPLIRSA-N 1 1 399.457 4.244 20 0 GIADMO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1-c1cccc(F)c1 ZINC000183656957 822506704 /nfs/dbraw/zinc/50/67/04/822506704.db2.gz KAHQWBSMZQCWKB-IAGOWNOFSA-N 1 1 399.514 4.094 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CSc2ccccc21 ZINC000454619259 822507598 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CSCCCCCCNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000183677789 822510115 /nfs/dbraw/zinc/51/01/15/822510115.db2.gz PUYSWCMNALPXBU-QGZVFWFLSA-N 1 1 379.570 4.125 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cnn(CCC(F)(F)F)c3)c2C1 ZINC000183692873 822512556 /nfs/dbraw/zinc/51/25/56/822512556.db2.gz NOOVPOXUKLJGRW-UHFFFAOYSA-N 1 1 380.414 4.059 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1N[C@@H]1CCSC1)CC2 ZINC000179616940 822513564 /nfs/dbraw/zinc/51/35/64/822513564.db2.gz UPIONAMODAJVII-LJQANCHMSA-N 1 1 384.545 4.180 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000046756240 822513721 /nfs/dbraw/zinc/51/37/21/822513721.db2.gz YGRXMHKJWYNMNU-UHFFFAOYSA-N 1 1 377.488 4.420 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000046756719 822513771 /nfs/dbraw/zinc/51/37/71/822513771.db2.gz RFRFVWPGTVZCJC-UHFFFAOYSA-N 1 1 392.543 4.295 20 0 GIADMO COc1cccc(C[NH2+]Cc2cncc(Br)c2)c1OC1CCCC1 ZINC000183708312 822514938 /nfs/dbraw/zinc/51/49/38/822514938.db2.gz MFNFYALBULZQGQ-UHFFFAOYSA-N 1 1 391.309 4.464 20 0 GIADMO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183717981 822516130 /nfs/dbraw/zinc/51/61/30/822516130.db2.gz OHLSVRJLAOHUED-FZKQIMNGSA-N 1 1 379.298 4.026 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)c(OC)c1 ZINC000183751395 822522222 /nfs/dbraw/zinc/52/22/22/822522222.db2.gz HCAXFHIYBOFWJA-LLVKDONJSA-N 1 1 383.275 4.300 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1cccc(Cl)c1Cl ZINC000183751480 822522229 /nfs/dbraw/zinc/52/22/29/822522229.db2.gz ICCHOGDIJPVCMV-WBMJQRKESA-N 1 1 379.287 4.284 20 0 GIADMO CCN(Cc1nnc(Cc2ccccc2C)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183753861 822522617 /nfs/dbraw/zinc/52/26/17/822522617.db2.gz SOLKJOTVUXZWGY-QFIPXVFZSA-N 1 1 390.531 4.065 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccc(C(F)(F)F)cc1 ZINC000179676367 822524981 /nfs/dbraw/zinc/52/49/81/822524981.db2.gz WBYBGACJXVAXAA-LJQANCHMSA-N 1 1 389.421 4.439 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NC3(Cc4ccccc4)CCCC3)CC2)[nH+]c1 ZINC000183766579 822525096 /nfs/dbraw/zinc/52/50/96/822525096.db2.gz CDWMBGULOJIRRZ-UHFFFAOYSA-N 1 1 377.532 4.278 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2nc(-c3ccc(C)c(OC)c3)no2)C2CC2)cc1 ZINC000179680059 822525803 /nfs/dbraw/zinc/52/58/03/822525803.db2.gz VQCSOFNXSZNXOJ-NRFANRHFSA-N 1 1 379.460 4.303 20 0 GIADMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccccc1OCC(=O)OC ZINC000183773395 822526214 /nfs/dbraw/zinc/52/62/14/822526214.db2.gz SMKDEMUTDAACBO-HZPDHXFCSA-N 1 1 381.476 4.020 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)NCCCC(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454741505 822526243 /nfs/dbraw/zinc/52/62/43/822526243.db2.gz SXFYBLJYPSDSHD-XJKSGUPXSA-N 1 1 391.865 4.207 20 0 GIADMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000183773378 822526375 /nfs/dbraw/zinc/52/63/75/822526375.db2.gz SMKDEMUTDAACBO-HOTGVXAUSA-N 1 1 381.476 4.020 20 0 GIADMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000179695027 822529282 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822534840 /nfs/dbraw/zinc/53/48/40/822534840.db2.gz UMDAXIUQJFOIAK-HXUWFJFHSA-N 1 1 380.513 4.190 20 0 GIADMO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)[N@@H+]1CCc2sccc2C1 ZINC000047010883 822537558 /nfs/dbraw/zinc/53/75/58/822537558.db2.gz GUYOZOBDYDXUPT-INIZCTEOSA-N 1 1 399.516 4.093 20 0 GIADMO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)[N@H+]1CCc2sccc2C1 ZINC000047010883 822537559 /nfs/dbraw/zinc/53/75/59/822537559.db2.gz GUYOZOBDYDXUPT-INIZCTEOSA-N 1 1 399.516 4.093 20 0 GIADMO CCc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000183864682 822537793 /nfs/dbraw/zinc/53/77/93/822537793.db2.gz CMZSWWOOJLCXJR-NRFANRHFSA-N 1 1 389.547 4.194 20 0 GIADMO CSCC1CCC(NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000454809040 822538173 /nfs/dbraw/zinc/53/81/73/822538173.db2.gz MKVQICUOIPICDR-LRYGQEGESA-N 1 1 391.581 4.123 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H](CCCO)c3ccccc3)cs2)cc1OC ZINC000179736220 822538687 /nfs/dbraw/zinc/53/86/87/822538687.db2.gz ZJEQMPNKXRGNIR-LJQANCHMSA-N 1 1 398.528 4.431 20 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ZINC000047104415 822544758 /nfs/dbraw/zinc/54/47/58/822544758.db2.gz XEPZYXZVIFPUFG-QZTJIDSGSA-N 1 1 381.442 4.006 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000183924950 822548034 /nfs/dbraw/zinc/54/80/34/822548034.db2.gz GRUDCLUYNOUKKE-GFCCVEGCSA-N 1 1 390.509 4.080 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000183924950 822548036 /nfs/dbraw/zinc/54/80/36/822548036.db2.gz GRUDCLUYNOUKKE-GFCCVEGCSA-N 1 1 390.509 4.080 20 0 GIADMO C[C@H](C[N@H+](C)Cc1nnc(-c2ccccc2Br)o1)c1nccs1 ZINC000183931183 822549189 /nfs/dbraw/zinc/54/91/89/822549189.db2.gz VPVLAKQBCDLWKO-LLVKDONJSA-N 1 1 393.310 4.191 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1)c1nccs1 ZINC000183931183 822549191 /nfs/dbraw/zinc/54/91/91/822549191.db2.gz VPVLAKQBCDLWKO-LLVKDONJSA-N 1 1 393.310 4.191 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1cc(F)ccc1F ZINC000179773410 822550024 /nfs/dbraw/zinc/55/00/24/822550024.db2.gz VQQKTGJHXKKCIJ-OAHLLOKOSA-N 1 1 375.444 4.278 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1cc(F)ccc1F ZINC000179778499 822550998 /nfs/dbraw/zinc/55/09/98/822550998.db2.gz HFPOIPSOACPQIJ-SJCJKPOMSA-N 1 1 378.419 4.050 20 0 GIADMO FC(F)Oc1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1Br ZINC000179780461 822551489 /nfs/dbraw/zinc/55/14/89/822551489.db2.gz ZOMYQDAMKSSRCO-GFCCVEGCSA-N 1 1 386.240 4.153 20 0 GIADMO COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1Cl ZINC000179782062 822551943 /nfs/dbraw/zinc/55/19/43/822551943.db2.gz FOSPEPQYYLDJKL-CYBMUJFWSA-N 1 1 391.302 4.424 20 0 GIADMO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1Cl ZINC000179782062 822551947 /nfs/dbraw/zinc/55/19/47/822551947.db2.gz FOSPEPQYYLDJKL-CYBMUJFWSA-N 1 1 391.302 4.424 20 0 GIADMO COc1cc(Cl)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl ZINC000179782047 822551962 /nfs/dbraw/zinc/55/19/62/822551962.db2.gz FOSPEPQYYLDJKL-ZDUSSCGKSA-N 1 1 391.302 4.424 20 0 GIADMO COc1cc(Cl)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl ZINC000179782047 822551964 /nfs/dbraw/zinc/55/19/64/822551964.db2.gz FOSPEPQYYLDJKL-ZDUSSCGKSA-N 1 1 391.302 4.424 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000047187717 822552452 /nfs/dbraw/zinc/55/24/52/822552452.db2.gz DADSPQWKEYEICG-QGZVFWFLSA-N 1 1 389.540 4.418 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183974394 822556341 /nfs/dbraw/zinc/55/63/41/822556341.db2.gz UQFGIVZGFFWHAR-GFCCVEGCSA-N 1 1 381.929 4.274 20 0 GIADMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC000179810892 822557751 /nfs/dbraw/zinc/55/77/51/822557751.db2.gz VGPFCVPTTKMBJB-UHFFFAOYSA-N 1 1 382.451 4.488 20 0 GIADMO Cc1cccnc1NC(=O)C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000047261364 822559512 /nfs/dbraw/zinc/55/95/12/822559512.db2.gz VXWVCZMSGJVVFV-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000047260450 822559632 /nfs/dbraw/zinc/55/96/32/822559632.db2.gz JWCROCHBVDXBAU-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000454947677 822561794 /nfs/dbraw/zinc/56/17/94/822561794.db2.gz NSXYODPEXLHLIN-CVDCTZTESA-N 1 1 384.568 4.323 20 0 GIADMO CSc1ncc(Cl)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000047283508 822562008 /nfs/dbraw/zinc/56/20/08/822562008.db2.gz JSTUTUNWXYPENQ-ZDUSSCGKSA-N 1 1 390.940 4.336 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(C4N=NC(=S)O4)cc3)c2C1 ZINC000184003648 822562072 /nfs/dbraw/zinc/56/20/72/822562072.db2.gz QNAYCVXRIQVEOA-UHFFFAOYSA-N 1 1 394.500 4.249 20 0 GIADMO CC(C)c1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cnn1-c1cccc(Cl)c1 ZINC000047287109 822562176 /nfs/dbraw/zinc/56/21/76/822562176.db2.gz GVUZVCGHQHIWAX-RBUKOAKNSA-N 1 1 386.927 4.006 20 0 GIADMO CCOCc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1OC ZINC000179840291 822564139 /nfs/dbraw/zinc/56/41/39/822564139.db2.gz STEYEABHHFWUHG-IBGZPJMESA-N 1 1 382.504 4.082 20 0 GIADMO Cc1cc(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc(N2CCCC2)[nH+]1 ZINC000454966753 822564317 /nfs/dbraw/zinc/56/43/17/822564317.db2.gz DAWJVRWIOVIUTO-FQEVSTJZSA-N 1 1 380.492 4.020 20 0 GIADMO O=C(Nc1ccc(F)c(F)c1F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047334069 822567508 /nfs/dbraw/zinc/56/75/08/822567508.db2.gz ZXBZEBAUKRVTMR-UHFFFAOYSA-N 1 1 399.363 4.168 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047336999 822568302 /nfs/dbraw/zinc/56/83/02/822568302.db2.gz WZIZDDAMBHUTBU-UHFFFAOYSA-N 1 1 381.520 4.272 20 0 GIADMO COc1ccc(C(=O)C2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000179881900 822570934 /nfs/dbraw/zinc/57/09/34/822570934.db2.gz PVXXKWFBYPBCGF-UHFFFAOYSA-N 1 1 393.462 4.115 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000184058467 822572536 /nfs/dbraw/zinc/57/25/36/822572536.db2.gz GJTMDYFTDWSFTG-CQSZACIVSA-N 1 1 379.476 4.035 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NCc3c(C)oc4ccccc43)CC2)cs1 ZINC000184061510 822572906 /nfs/dbraw/zinc/57/29/06/822572906.db2.gz RQNHPKZHRYJRQX-UHFFFAOYSA-N 1 1 383.517 4.035 20 0 GIADMO Clc1ccc(-c2nc(C[N@@H+]3CCOCC4(CCOCC4)C3)cs2)cc1 ZINC000184062764 822573115 /nfs/dbraw/zinc/57/31/15/822573115.db2.gz UAAADMDLYIEORR-UHFFFAOYSA-N 1 1 378.925 4.093 20 0 GIADMO Clc1ccc(-c2nc(C[N@H+]3CCOCC4(CCOCC4)C3)cs2)cc1 ZINC000184062764 822573117 /nfs/dbraw/zinc/57/31/17/822573117.db2.gz UAAADMDLYIEORR-UHFFFAOYSA-N 1 1 378.925 4.093 20 0 GIADMO CC(C)c1ccc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c(C(C)C)c1 ZINC000184065485 822573268 /nfs/dbraw/zinc/57/32/68/822573268.db2.gz HYKNWCLUKBFZQL-UHFFFAOYSA-N 1 1 388.600 4.471 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cn1 ZINC000047385506 822573353 /nfs/dbraw/zinc/57/33/53/822573353.db2.gz FHHKPUXHCPWMCF-UHFFFAOYSA-N 1 1 382.514 4.307 20 0 GIADMO C[C@H](CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C(=O)c1ccc(Cl)cc1 ZINC000179918900 822577119 /nfs/dbraw/zinc/57/71/19/822577119.db2.gz SLADNJHIURFCMZ-DLBZAZTESA-N 1 1 378.944 4.177 20 0 GIADMO CC[N@@H+]1CC[C@H](NC(=O)CCc2ccc(O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184108377 822579359 /nfs/dbraw/zinc/57/93/59/822579359.db2.gz ZNZMQQNBLZRLKN-FPOVZHCZSA-N 1 1 390.886 4.069 20 0 GIADMO CC[N@H+]1CC[C@H](NC(=O)CCc2ccc(O)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184108377 822579361 /nfs/dbraw/zinc/57/93/61/822579361.db2.gz ZNZMQQNBLZRLKN-FPOVZHCZSA-N 1 1 390.886 4.069 20 0 GIADMO C[C@@H](F)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000455056514 822581970 /nfs/dbraw/zinc/58/19/70/822581970.db2.gz QLHVPOZQLVRYHW-GFCCVEGCSA-N 1 1 376.303 4.005 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179953209 822584855 /nfs/dbraw/zinc/58/48/55/822584855.db2.gz RNGHFPRENZBFKJ-GFCCVEGCSA-N 1 1 380.847 4.094 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C(C)(C)C)n1 ZINC000179958368 822585642 /nfs/dbraw/zinc/58/56/42/822585642.db2.gz GTCODSJVTHFSAT-INIZCTEOSA-N 1 1 397.498 4.286 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCC[C@H]2CF)cc1)C[C@@H]1CCCCO1 ZINC000455079616 822586396 /nfs/dbraw/zinc/58/63/96/822586396.db2.gz TZCRVNZTRMSMQP-SFTDATJTSA-N 1 1 391.531 4.432 20 0 GIADMO COc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(OC)c1OC ZINC000047522391 822586895 /nfs/dbraw/zinc/58/68/95/822586895.db2.gz OSBJKCCIOMXKPI-INIZCTEOSA-N 1 1 398.503 4.339 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccccc2F)on1 ZINC000047526431 822587359 /nfs/dbraw/zinc/58/73/59/822587359.db2.gz UOZGCGIGAZTRAT-SFHVURJKSA-N 1 1 383.423 4.031 20 0 GIADMO CCN(C(=O)c1cc(Cl)cc(Cl)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184187256 822592687 /nfs/dbraw/zinc/59/26/87/822592687.db2.gz OVHRPWGCUNUINP-MRXNPFEDSA-N 1 1 378.303 4.125 20 0 GIADMO CC(F)(F)CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000455127498 822593270 /nfs/dbraw/zinc/59/32/70/822593270.db2.gz OQDLZINIRZEHKI-HNNXBMFYSA-N 1 1 393.400 4.014 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000180001991 822593603 /nfs/dbraw/zinc/59/36/03/822593603.db2.gz OPPOTUULVAHDTR-LBPRGKRZSA-N 1 1 383.398 4.355 20 0 GIADMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(-c4cccs4)on3)ccc2NC1=O ZINC000180006477 822594576 /nfs/dbraw/zinc/59/45/76/822594576.db2.gz XVEGWTVZUPQNKI-BLLLJJGKSA-N 1 1 383.473 4.363 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)c1nc2ccc(Cl)cc2n1C ZINC000180009324 822595428 /nfs/dbraw/zinc/59/54/28/822595428.db2.gz JBPIKIPNZDKFIC-OAHLLOKOSA-N 1 1 396.922 4.200 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc4cc(F)ccc4n3CC)ccc2NC1=O ZINC000180013512 822596554 /nfs/dbraw/zinc/59/65/54/822596554.db2.gz GMXJUMWWNDVVDT-BFUOFWGJSA-N 1 1 396.466 4.156 20 0 GIADMO CCC(CC)[N@H+](Cn1nc([C@H]2COc3ccccc3O2)n(C)c1=S)C1CC1 ZINC000047625665 822597921 /nfs/dbraw/zinc/59/79/21/822597921.db2.gz RLBZMHFCOWQGNF-GOSISDBHSA-N 1 1 388.537 4.074 20 0 GIADMO CCC(CC)[N@@H+](Cn1nc([C@H]2COc3ccccc3O2)n(C)c1=S)C1CC1 ZINC000047625665 822597926 /nfs/dbraw/zinc/59/79/26/822597926.db2.gz RLBZMHFCOWQGNF-GOSISDBHSA-N 1 1 388.537 4.074 20 0 GIADMO COc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC(C)C ZINC000184218592 822597903 /nfs/dbraw/zinc/59/79/03/822597903.db2.gz FBOWVKDKIZQZDM-IRXDYDNUSA-N 1 1 389.540 4.257 20 0 GIADMO O=C(NC[C@H]1CCCCC1(F)F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455159568 822599348 /nfs/dbraw/zinc/59/93/48/822599348.db2.gz FRAPQFPHNYYBMD-TZIWHRDSSA-N 1 1 391.506 4.120 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000047675605 822599331 /nfs/dbraw/zinc/59/93/31/822599331.db2.gz UNLNOSOELWQTKI-UHFFFAOYSA-N 1 1 399.560 4.337 20 0 GIADMO Cc1csc([C@H](C)[NH2+]CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000184235816 822600697 /nfs/dbraw/zinc/60/06/97/822600697.db2.gz PYWLYJKYXCNCNT-ZDUSSCGKSA-N 1 1 397.466 4.312 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cc(Cl)ccc1F ZINC000047714932 822602870 /nfs/dbraw/zinc/60/28/70/822602870.db2.gz RKOQFPIPCJOOMN-UHFFFAOYSA-N 1 1 382.813 4.152 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cc(-c2ccccc2)no1 ZINC000047715865 822603289 /nfs/dbraw/zinc/60/32/89/822603289.db2.gz PLEYKXBEMIZVRE-UHFFFAOYSA-N 1 1 397.425 4.014 20 0 GIADMO Cn1c(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)nc2ccccc2c1=O ZINC000180055830 822605422 /nfs/dbraw/zinc/60/54/22/822605422.db2.gz KRONWXRRJIPUHM-LJQANCHMSA-N 1 1 387.405 4.193 20 0 GIADMO C[C@@H](Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000180061041 822606484 /nfs/dbraw/zinc/60/64/84/822606484.db2.gz FXGOKBWNQZLADP-GFCCVEGCSA-N 1 1 387.480 4.166 20 0 GIADMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000047769094 822608333 /nfs/dbraw/zinc/60/83/33/822608333.db2.gz TUNBRPGCWYELJR-UHFFFAOYSA-N 1 1 387.351 4.137 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(F)cc3F)CC[N@H+]2C2CC2)c1 ZINC000180068607 822608654 /nfs/dbraw/zinc/60/86/54/822608654.db2.gz AUGIXQFWFGUEHX-WOJBJXKFSA-N 1 1 387.430 4.073 20 0 GIADMO Clc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1Br ZINC000180070894 822609315 /nfs/dbraw/zinc/60/93/15/822609315.db2.gz XAJKLBJUYJKSEU-ZDUSSCGKSA-N 1 1 395.732 4.020 20 0 GIADMO Clc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1Br ZINC000180070894 822609318 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ASUKJYCQMQIHIM-MRXNPFEDSA-N 1 1 387.549 4.412 20 0 GIADMO Cc1cc(OC(C)C)ccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000048122128 822635572 /nfs/dbraw/zinc/63/55/72/822635572.db2.gz ASUKJYCQMQIHIM-MRXNPFEDSA-N 1 1 387.549 4.412 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000048139807 822638036 /nfs/dbraw/zinc/63/80/36/822638036.db2.gz SXWLNNCNKJZLHL-UHFFFAOYSA-N 1 1 376.520 4.010 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000184460394 822639407 /nfs/dbraw/zinc/63/94/07/822639407.db2.gz YRQBQULTIIFCRR-HXUWFJFHSA-N 1 1 394.515 4.493 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000184463124 822640295 /nfs/dbraw/zinc/64/02/95/822640295.db2.gz PIWBDQUHYINGJM-AWEZNQCLSA-N 1 1 378.419 4.174 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000184463124 822640296 /nfs/dbraw/zinc/64/02/96/822640296.db2.gz PIWBDQUHYINGJM-AWEZNQCLSA-N 1 1 378.419 4.174 20 0 GIADMO COc1ccc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1F ZINC000048176874 822642399 /nfs/dbraw/zinc/64/23/99/822642399.db2.gz ZVDGMPZIKQNYHR-INIZCTEOSA-N 1 1 387.499 4.235 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1)C1CC1 ZINC000455374531 822642706 /nfs/dbraw/zinc/64/27/06/822642706.db2.gz WAUILJOJJZSYFU-UHFFFAOYSA-N 1 1 393.837 4.277 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184488402 822644563 /nfs/dbraw/zinc/64/45/63/822644563.db2.gz SNVHIXVFZNJSPR-ZWKOTPCHSA-N 1 1 388.552 4.192 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184488402 822644564 /nfs/dbraw/zinc/64/45/64/822644564.db2.gz SNVHIXVFZNJSPR-ZWKOTPCHSA-N 1 1 388.552 4.192 20 0 GIADMO Cc1nccn1-c1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1F ZINC000180232493 822644943 /nfs/dbraw/zinc/64/49/43/822644943.db2.gz RRXPPOMGCUIJMH-JOCHJYFZSA-N 1 1 393.441 4.072 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1F ZINC000180232493 822644945 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395.547 4.486 20 0 GIADMO O=C(O[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2cncnc2)cc1F ZINC000184534484 822652689 /nfs/dbraw/zinc/65/26/89/822652689.db2.gz YUUWIVRXDGCYAH-FQEVSTJZSA-N 1 1 391.446 4.104 20 0 GIADMO C[C@H](CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000048359061 822655680 /nfs/dbraw/zinc/65/56/80/822655680.db2.gz BKMFLKCEAMVPRV-VAMGGRTRSA-N 1 1 380.532 4.106 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(Br)c(F)c2)c2ccc(F)cc2)cn1 ZINC000184580047 822660961 /nfs/dbraw/zinc/66/09/61/822660961.db2.gz LRQMWTKYPIVHFG-GOSISDBHSA-N 1 1 392.247 4.340 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccccc1)CC(C)(C)O ZINC000180348797 822667737 /nfs/dbraw/zinc/66/77/37/822667737.db2.gz AOTZZGZKPLWJNH-UHFFFAOYSA-N 1 1 397.563 4.010 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000048509191 822668765 /nfs/dbraw/zinc/66/87/65/822668765.db2.gz BVBFSNBFUBXAGE-GOSISDBHSA-N 1 1 392.503 4.285 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(OCC#N)c2)C1 ZINC000048509295 822668816 /nfs/dbraw/zinc/66/88/16/822668816.db2.gz JXGFWSATOBDEDG-GOSISDBHSA-N 1 1 392.503 4.143 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3c(F)cc(Cl)cc3F)cc2)C[C@H](C)O1 ZINC000180355478 822669317 /nfs/dbraw/zinc/66/93/17/822669317.db2.gz HGWNIGQQJWGDNJ-STQMWFEESA-N 1 1 394.849 4.480 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3c(F)cc(Cl)cc3F)cc2)C[C@H](C)O1 ZINC000180355463 822669327 /nfs/dbraw/zinc/66/93/27/822669327.db2.gz HGWNIGQQJWGDNJ-BETUJISGSA-N 1 1 394.849 4.480 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3c(F)cc(Cl)cc3F)cc2)C[C@H](C)O1 ZINC000180355463 822669329 /nfs/dbraw/zinc/66/93/29/822669329.db2.gz HGWNIGQQJWGDNJ-BETUJISGSA-N 1 1 394.849 4.480 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000048540968 822670951 /nfs/dbraw/zinc/67/09/51/822670951.db2.gz GFLLXNGYUMGQRH-UHFFFAOYSA-N 1 1 395.503 4.242 20 0 GIADMO COc1cc(Cl)cc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c1O ZINC000184680174 822675399 /nfs/dbraw/zinc/67/53/99/822675399.db2.gz NMHUTRXEHAKEAD-UHFFFAOYSA-N 1 1 376.884 4.050 20 0 GIADMO COc1cc(Cl)cc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c1O ZINC000184680174 822675400 /nfs/dbraw/zinc/67/54/00/822675400.db2.gz NMHUTRXEHAKEAD-UHFFFAOYSA-N 1 1 376.884 4.050 20 0 GIADMO C[C@@H](c1cnccn1)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000184684093 822676218 /nfs/dbraw/zinc/67/62/18/822676218.db2.gz DQXDNSFIOYCSSG-HNNXBMFYSA-N 1 1 378.442 4.153 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1scnc1C1CCCC1 ZINC000184692019 822677704 /nfs/dbraw/zinc/67/77/04/822677704.db2.gz MXQIJJMJIAKCGI-GOSISDBHSA-N 1 1 383.561 4.095 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 ZINC000180413348 822677723 /nfs/dbraw/zinc/67/77/23/822677723.db2.gz DTAUMGAKSBJVFT-OAHLLOKOSA-N 1 1 383.458 4.217 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1)c1ccccc1 ZINC000180418837 822678487 /nfs/dbraw/zinc/67/84/87/822678487.db2.gz WYRXRGGKNPUNPC-UHFFFAOYSA-N 1 1 376.456 4.466 20 0 GIADMO CCOc1ccc(C2=CC[N@@H+](Cc3cc(-c4cnn(C)c4C)no3)CC2)cc1 ZINC000184707419 822679971 /nfs/dbraw/zinc/67/99/71/822679971.db2.gz WESBASSGFOFNOE-UHFFFAOYSA-N 1 1 378.476 4.072 20 0 GIADMO O=C(NCCC1CC(F)(F)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455591551 822680129 /nfs/dbraw/zinc/68/01/29/822680129.db2.gz BVGFCZCXPIHNJE-PMACEKPBSA-N 1 1 391.506 4.118 20 0 GIADMO CCc1nc([C@H](C)[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)cs1 ZINC000184715085 822680826 /nfs/dbraw/zinc/68/08/26/822680826.db2.gz ZFVVXVAFCSWDTN-JQWIXIFHSA-N 1 1 375.321 4.103 20 0 GIADMO O=C(C[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)NCC(F)(F)F ZINC000048745894 822680930 /nfs/dbraw/zinc/68/09/30/822680930.db2.gz DDDAPPQYXKGFJL-UHFFFAOYSA-N 1 1 381.181 4.022 20 0 GIADMO CCc1nc([C@H](C)[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)cs1 ZINC000184715125 822681173 /nfs/dbraw/zinc/68/11/73/822681173.db2.gz ZFVVXVAFCSWDTN-CMPLNLGQSA-N 1 1 375.321 4.103 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000184721532 822681867 /nfs/dbraw/zinc/68/18/67/822681867.db2.gz SISXOKHMGORSFX-OAHLLOKOSA-N 1 1 396.878 4.333 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180438423 822682180 /nfs/dbraw/zinc/68/21/80/822682180.db2.gz UYLFEZBFCMGPOF-SCLBCKFNSA-N 1 1 394.441 4.297 20 0 GIADMO C[C@H](c1ccc(NC(=O)c2scnc2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000184724320 822682317 /nfs/dbraw/zinc/68/23/17/822682317.db2.gz JGKJXWYHKMGVOO-OAHLLOKOSA-N 1 1 385.533 4.446 20 0 GIADMO COc1ccc([C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)c2ccc(C)cc2)cc1 ZINC000455603405 822682764 /nfs/dbraw/zinc/68/27/64/822682764.db2.gz FBIHDNCWWBMUQE-HSZRJFAPSA-N 1 1 395.547 4.267 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H](c1ccccc1)C(F)F ZINC000455603247 822682785 /nfs/dbraw/zinc/68/27/85/822682785.db2.gz SFMUYDGWYNURLH-QAPCUYQASA-N 1 1 393.503 4.266 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N[C@@H](c2ccccc2)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000455610258 822684122 /nfs/dbraw/zinc/68/41/22/822684122.db2.gz BFSIJFGBMQPLBC-UXPWSPDFSA-N 1 1 387.474 4.345 20 0 GIADMO Brc1cccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)c1 ZINC000048817989 822684475 /nfs/dbraw/zinc/68/44/75/822684475.db2.gz PTEXDAGGTGEALH-UHFFFAOYSA-N 1 1 399.082 4.230 20 0 GIADMO COCc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000048828371 822684917 /nfs/dbraw/zinc/68/49/17/822684917.db2.gz OLVNGEWEYFZUGV-IBGZPJMESA-N 1 1 395.547 4.064 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC[C@@H]1c1cccc(Br)c1)C1CC1 ZINC000455622679 822685679 /nfs/dbraw/zinc/68/56/79/822685679.db2.gz VAVRZMJPHNJPNJ-GOSISDBHSA-N 1 1 394.357 4.170 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2cccc(OC(F)F)c2)nnn1-c1ccc(F)cc1 ZINC000180504977 822692636 /nfs/dbraw/zinc/69/26/36/822692636.db2.gz CSEJBUVPPAJWGN-LBPRGKRZSA-N 1 1 376.382 4.167 20 0 GIADMO Oc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000180507180 822692998 /nfs/dbraw/zinc/69/29/98/822692998.db2.gz QXYUCJWDRUAJMA-CZUORRHYSA-N 1 1 382.323 4.304 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000180520474 822695477 /nfs/dbraw/zinc/69/54/77/822695477.db2.gz BWFYAYKETORSNW-AWEZNQCLSA-N 1 1 398.841 4.057 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000180520474 822695478 /nfs/dbraw/zinc/69/54/78/822695478.db2.gz BWFYAYKETORSNW-AWEZNQCLSA-N 1 1 398.841 4.057 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1nc(-c2ccccc2)cs1 ZINC000180529943 822697151 /nfs/dbraw/zinc/69/71/51/822697151.db2.gz OUDMKPCXMYBHLI-CQSZACIVSA-N 1 1 383.542 4.107 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(Cl)cn2)cc1 ZINC000180536314 822698208 /nfs/dbraw/zinc/69/82/08/822698208.db2.gz CORACZYWYYQXBM-INIZCTEOSA-N 1 1 386.927 4.109 20 0 GIADMO CN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000455678054 822698562 /nfs/dbraw/zinc/69/85/62/822698562.db2.gz WPFJERMUIUQWCT-FYYLOGMGSA-N 1 1 393.531 4.319 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000180553268 822700979 /nfs/dbraw/zinc/70/09/79/822700979.db2.gz WLXAXXNOFHCFLB-HNNXBMFYSA-N 1 1 376.300 4.326 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180575697 822705186 /nfs/dbraw/zinc/70/51/86/822705186.db2.gz ISEOSURHSZTORV-QGZVFWFLSA-N 1 1 382.357 4.250 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)c(Cl)nc21 ZINC000180601632 822709357 /nfs/dbraw/zinc/70/93/57/822709357.db2.gz QASXDZRWBBHHBF-SJORKVTESA-N 1 1 388.899 4.347 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000455713223 822710562 /nfs/dbraw/zinc/71/05/62/822710562.db2.gz LXXHJBMQUAUXQM-UHFFFAOYSA-N 1 1 386.927 4.419 20 0 GIADMO COc1cccc([C@H]([NH2+]Cc2ccc(CO)cc2)c2cc(F)ccc2OC)c1 ZINC000180608711 822711370 /nfs/dbraw/zinc/71/13/70/822711370.db2.gz HLMFOSPDMFEDES-QHCPKHFHSA-N 1 1 381.447 4.214 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000180609492 822711597 /nfs/dbraw/zinc/71/15/97/822711597.db2.gz IHLILWKUAXXDBD-FDDCHVKYSA-N 1 1 377.536 4.136 20 0 GIADMO Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000180618681 822713630 /nfs/dbraw/zinc/71/36/30/822713630.db2.gz QGUSTENFFNYOMI-MRXNPFEDSA-N 1 1 377.330 4.310 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000050028386 822715070 /nfs/dbraw/zinc/71/50/70/822715070.db2.gz ANNJDXNLLCEDCX-NRFANRHFSA-N 1 1 379.504 4.274 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cccc(OC(F)F)c1 ZINC000050055698 822716309 /nfs/dbraw/zinc/71/63/09/822716309.db2.gz OXSDOCMCSOMATJ-AWEZNQCLSA-N 1 1 395.475 4.383 20 0 GIADMO Cc1sc([C@H](C)[NH2+]CC(=O)NCC2CCC2)nc1-c1ccc(Cl)cc1 ZINC000184946829 822716980 /nfs/dbraw/zinc/71/69/80/822716980.db2.gz RKSUXUPMVBONIR-LBPRGKRZSA-N 1 1 377.941 4.339 20 0 GIADMO COc1ccc(C(=O)C2CC[NH+](C[C@@H](O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000184949599 822717321 /nfs/dbraw/zinc/71/73/21/822717321.db2.gz MRNFWFKEJGRFKM-HXUWFJFHSA-N 1 1 391.870 4.116 20 0 GIADMO CCCn1ncc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455743352 822718110 /nfs/dbraw/zinc/71/81/10/822718110.db2.gz ABCBZXINYZHSKV-KRWDZBQOSA-N 1 1 383.540 4.203 20 0 GIADMO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(F)c3)c2C1 ZINC000184961509 822718840 /nfs/dbraw/zinc/71/88/40/822718840.db2.gz AZXIDEBIQLTQKO-HNNXBMFYSA-N 1 1 376.497 4.128 20 0 GIADMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)Cc3cccc(F)c3)c2C1 ZINC000184961509 822718843 /nfs/dbraw/zinc/71/88/43/822718843.db2.gz AZXIDEBIQLTQKO-HNNXBMFYSA-N 1 1 376.497 4.128 20 0 GIADMO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184961834 822718943 /nfs/dbraw/zinc/71/89/43/822718943.db2.gz IJAFISRSOXQBMK-NEPJUHHUSA-N 1 1 396.354 4.138 20 0 GIADMO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(-c2ccccc2)o1 ZINC000184967141 822719526 /nfs/dbraw/zinc/71/95/26/822719526.db2.gz HLLOPHYGTXPBFA-SFHVURJKSA-N 1 1 389.499 4.387 20 0 GIADMO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1F ZINC000050137265 822720015 /nfs/dbraw/zinc/72/00/15/822720015.db2.gz GQXAIDHNTRBCOR-HUUCEWRRSA-N 1 1 393.503 4.299 20 0 GIADMO CCSCc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)no1 ZINC000184976130 822720584 /nfs/dbraw/zinc/72/05/84/822720584.db2.gz BSBJKSGDALKYOQ-NQIIRXRSSA-N 1 1 399.560 4.054 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1c(C)ccc(F)c1Br ZINC000455758694 822720981 /nfs/dbraw/zinc/72/09/81/822720981.db2.gz VPHDQKOHJPLAEB-UHFFFAOYSA-N 1 1 383.265 4.003 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccccc2C(C)(F)F)CC1 ZINC000455764834 822722078 /nfs/dbraw/zinc/72/20/78/822722078.db2.gz DEIPXKPPQOMKIM-UHFFFAOYSA-N 1 1 397.510 4.401 20 0 GIADMO Cn1c(C[NH2+][C@@H](Cc2ccccc2)c2cccs2)nc2ccccc2c1=O ZINC000184989795 822722545 /nfs/dbraw/zinc/72/25/45/822722545.db2.gz HLBHTLMKYHAKLA-IBGZPJMESA-N 1 1 375.497 4.069 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)ccc1OCCC(C)C ZINC000185051644 822729628 /nfs/dbraw/zinc/72/96/28/822729628.db2.gz PQKDEWTYNPHZDR-MRXNPFEDSA-N 1 1 398.507 4.359 20 0 GIADMO Cn1cc(-c2cc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3F)on2)cn1 ZINC000185054490 822729990 /nfs/dbraw/zinc/72/99/90/822729990.db2.gz HXWLMLQVZZJSGM-QFIPXVFZSA-N 1 1 376.435 4.288 20 0 GIADMO Cc1nc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(-c2ccccc2)o1 ZINC000185069889 822732388 /nfs/dbraw/zinc/73/23/88/822732388.db2.gz QKSAEAMTVFHVEH-NRFANRHFSA-N 1 1 389.499 4.387 20 0 GIADMO O=C(CCCOCc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050631741 822735326 /nfs/dbraw/zinc/73/53/26/822735326.db2.gz CFUWOUREOWCUNQ-HXUWFJFHSA-N 1 1 386.561 4.073 20 0 GIADMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000185140297 822742032 /nfs/dbraw/zinc/74/20/32/822742032.db2.gz JFSUBTAFIJYPCM-JXFKEZNVSA-N 1 1 385.533 4.020 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(n2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000455884130 822742280 /nfs/dbraw/zinc/74/22/80/822742280.db2.gz MLMUHTTUDVPWBX-PXNSSMCTSA-N 1 1 378.520 4.087 20 0 GIADMO COc1ccc2c(C[N@H+](Cc3cccc(F)c3)C[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000050963885 822743471 /nfs/dbraw/zinc/74/34/71/822743471.db2.gz AIVLAMDXPLJLOS-FQEVSTJZSA-N 1 1 397.446 4.122 20 0 GIADMO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(C1CC1)C1CC1 ZINC000050989466 822743724 /nfs/dbraw/zinc/74/37/24/822743724.db2.gz YTWMAJLGGDJGSH-QGZVFWFLSA-N 1 1 383.517 4.139 20 0 GIADMO CCSCc1ccc(NC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000455896568 822744265 /nfs/dbraw/zinc/74/42/65/822744265.db2.gz OBEUPOYEPOEVBI-HXUWFJFHSA-N 1 1 398.576 4.321 20 0 GIADMO O[C@H](C[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051091570 822746472 /nfs/dbraw/zinc/74/64/72/822746472.db2.gz CVBCKVWRGOBQGH-HXRGIAOBSA-N 1 1 390.449 4.070 20 0 GIADMO CCc1ccc(CNC(=O)C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)s1 ZINC000051132132 822747035 /nfs/dbraw/zinc/74/70/35/822747035.db2.gz FHJJADNMKDLUDR-XMSQKQJNSA-N 1 1 386.561 4.026 20 0 GIADMO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132962 822747286 /nfs/dbraw/zinc/74/72/86/822747286.db2.gz MQZPEAANXOZYQT-ISKFKSNPSA-N 1 1 380.532 4.135 20 0 GIADMO C[N@H+](CC(=O)N1CCCc2ccccc21)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133375 822747611 /nfs/dbraw/zinc/74/76/11/822747611.db2.gz BMVVKWDKVZKVND-XUZZJYLKSA-N 1 1 378.516 4.066 20 0 GIADMO Cc1ccc(-c2noc(CCC[NH2+][C@H](C)c3nc(C(C)(C)C)no3)n2)cc1F ZINC000185209928 822749661 /nfs/dbraw/zinc/74/96/61/822749661.db2.gz MSFLZGZQYZOPAS-CYBMUJFWSA-N 1 1 387.459 4.148 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)C1CC1 ZINC000185220136 822750758 /nfs/dbraw/zinc/75/07/58/822750758.db2.gz NIEIIQDQUICNPT-SFHVURJKSA-N 1 1 387.549 4.127 20 0 GIADMO CCOc1cc(C[N@@H+](C)C[C@H](O)c2cc(F)ccc2F)ccc1OC(F)F ZINC000051323842 822756000 /nfs/dbraw/zinc/75/60/00/822756000.db2.gz CJQZDCJBXNNSGV-INIZCTEOSA-N 1 1 387.373 4.130 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)cc(Br)c3)CC[C@@H]21 ZINC000455967912 822758702 /nfs/dbraw/zinc/75/87/02/822758702.db2.gz IQZOADGNUWGKHI-NHYWBVRUSA-N 1 1 386.721 4.051 20 0 GIADMO Cc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000455994135 822763254 /nfs/dbraw/zinc/76/32/54/822763254.db2.gz LRZQTXYHZAHEAV-QUCCMNQESA-N 1 1 377.532 4.298 20 0 GIADMO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000051531384 822764516 /nfs/dbraw/zinc/76/45/16/822764516.db2.gz SPROYLKYEOXCQL-KKSFZXQISA-N 1 1 384.545 4.181 20 0 GIADMO C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ncc(Br)s1 ZINC000185315310 822764647 /nfs/dbraw/zinc/76/46/47/822764647.db2.gz BQBIMONIFAAFAR-IPYPFGDCSA-N 1 1 380.355 4.077 20 0 GIADMO C[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ncc(Br)s1 ZINC000185315310 822764648 /nfs/dbraw/zinc/76/46/48/822764648.db2.gz BQBIMONIFAAFAR-IPYPFGDCSA-N 1 1 380.355 4.077 20 0 GIADMO Cc1csc([C@H](NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000174292660 822764726 /nfs/dbraw/zinc/76/47/26/822764726.db2.gz OVWAWJBOZUYOHB-VQTJNVASSA-N 1 1 398.576 4.209 20 0 GIADMO Cc1cnc([C@H](NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000174293319 822764937 /nfs/dbraw/zinc/76/49/37/822764937.db2.gz WKGUJBXGEFOTIP-WOJBJXKFSA-N 1 1 398.576 4.209 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000456056714 822772231 /nfs/dbraw/zinc/77/22/31/822772231.db2.gz HQDTVELPBGLZHO-ZDUSSCGKSA-N 1 1 389.487 4.132 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C2CC2)s1 ZINC000185369336 822773219 /nfs/dbraw/zinc/77/32/19/822773219.db2.gz DAISQYISXWUNDV-JKSUJKDBSA-N 1 1 395.450 4.317 20 0 GIADMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncoc1-c1ccccc1Cl ZINC000174339631 822774426 /nfs/dbraw/zinc/77/44/26/822774426.db2.gz OCKJQFSBBFKWIH-INIZCTEOSA-N 1 1 382.847 4.426 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000185375426 822774446 /nfs/dbraw/zinc/77/44/46/822774446.db2.gz HJRNMPZOPHDKAK-JOCHJYFZSA-N 1 1 396.535 4.232 20 0 GIADMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000174340161 822774622 /nfs/dbraw/zinc/77/46/22/822774622.db2.gz RHVAPBSUFYKAOD-MNOVXSKESA-N 1 1 386.315 4.198 20 0 GIADMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3cc(C)nn3C(C)(C)C)ccc2c1 ZINC000051876781 822781699 /nfs/dbraw/zinc/78/16/99/822781699.db2.gz CSFRJQGWQCQMCZ-UHFFFAOYSA-N 1 1 394.519 4.179 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3cc(C)nn3C(C)(C)C)ccc2c1 ZINC000051876781 822781702 /nfs/dbraw/zinc/78/17/02/822781702.db2.gz CSFRJQGWQCQMCZ-UHFFFAOYSA-N 1 1 394.519 4.179 20 0 GIADMO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000185439182 822784206 /nfs/dbraw/zinc/78/42/06/822784206.db2.gz RDPBIFJMGCEZFD-GOSISDBHSA-N 1 1 383.536 4.110 20 0 GIADMO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 ZINC000185442335 822784287 /nfs/dbraw/zinc/78/42/87/822784287.db2.gz JRMYFANJQQQZTM-GOSISDBHSA-N 1 1 395.503 4.476 20 0 GIADMO COc1ccc2oc([C@H](C)[NH2+]Cc3cc(-c4cnn(C)c4C)no3)c(C)c2c1 ZINC000185441745 822784377 /nfs/dbraw/zinc/78/43/77/822784377.db2.gz URBRHYXKILHGNR-ZDUSSCGKSA-N 1 1 380.448 4.298 20 0 GIADMO CN(Cc1ncc(-c2ccc(F)cc2)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402387 822785035 /nfs/dbraw/zinc/78/50/35/822785035.db2.gz GFEXEDRBRZBWRF-IBGZPJMESA-N 1 1 379.479 4.435 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)ccc1OC ZINC000174408852 822786429 /nfs/dbraw/zinc/78/64/29/822786429.db2.gz HCOKPOZWJJXDBV-FQEVSTJZSA-N 1 1 381.520 4.380 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185480958 822789089 /nfs/dbraw/zinc/78/90/89/822789089.db2.gz DPOWPZMMXAJWBE-HNNXBMFYSA-N 1 1 392.421 4.016 20 0 GIADMO Cc1nc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)sc1C ZINC000174433472 822789499 /nfs/dbraw/zinc/78/94/99/822789499.db2.gz RDUCQPKWZPLXCW-UHFFFAOYSA-N 1 1 375.501 4.297 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000174451919 822791579 /nfs/dbraw/zinc/79/15/79/822791579.db2.gz GWZZOAQMAMMZAH-UHFFFAOYSA-N 1 1 386.499 4.387 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000052158879 822791794 /nfs/dbraw/zinc/79/17/94/822791794.db2.gz KDCPRJWAWMSQTB-IBGZPJMESA-N 1 1 399.579 4.108 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1ccc(Cl)cc1 ZINC000174469020 822794446 /nfs/dbraw/zinc/79/44/46/822794446.db2.gz PAYNIWKUFSGUQT-HXUWFJFHSA-N 1 1 385.939 4.046 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c(F)c1 ZINC000052264948 822795043 /nfs/dbraw/zinc/79/50/43/822795043.db2.gz YVALUEYLYYIFPD-UHFFFAOYSA-N 1 1 391.512 4.067 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000052294403 822795737 /nfs/dbraw/zinc/79/57/37/822795737.db2.gz UHSYVBVGTOMSGQ-HNNXBMFYSA-N 1 1 382.439 4.183 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000052295288 822795825 /nfs/dbraw/zinc/79/58/25/822795825.db2.gz ZQDCKMOAHHOPNC-FQEVSTJZSA-N 1 1 382.895 4.128 20 0 GIADMO CC(C)OCc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC000456311257 822797148 /nfs/dbraw/zinc/79/71/48/822797148.db2.gz SAJZMWGRYCHGCB-HXUWFJFHSA-N 1 1 380.532 4.206 20 0 GIADMO C[C@@H]1CN(C(=O)CCc2nc3ccccc3s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456317730 822797822 /nfs/dbraw/zinc/79/78/22/822797822.db2.gz ZKWGXIBVFVDTDY-SFHVURJKSA-N 1 1 393.556 4.209 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc(Cl)cc1 ZINC000052427994 822799034 /nfs/dbraw/zinc/79/90/34/822799034.db2.gz SOCBJPFPHKGKHJ-LJQANCHMSA-N 1 1 396.940 4.204 20 0 GIADMO C[C@H]1CN(C(=O)C2CCC(C(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456331629 822799261 /nfs/dbraw/zinc/79/92/61/822799261.db2.gz KIFQVXFYHIAGRS-IPJUCJBFSA-N 1 1 382.470 4.336 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(C)c1 ZINC000052440521 822799706 /nfs/dbraw/zinc/79/97/06/822799706.db2.gz SGLASJPBUGFPHU-AUSIDOKSSA-N 1 1 380.532 4.384 20 0 GIADMO CCSc1cccc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000185594341 822800383 /nfs/dbraw/zinc/80/03/83/822800383.db2.gz PDFRQIYZKBWWSY-IBGZPJMESA-N 1 1 383.561 4.108 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000174524554 822800765 /nfs/dbraw/zinc/80/07/65/822800765.db2.gz KXTGMAVKLMWVOJ-LLVKDONJSA-N 1 1 382.348 4.138 20 0 GIADMO Cc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c(-c2ccccc2)o1 ZINC000456351296 822801215 /nfs/dbraw/zinc/80/12/15/822801215.db2.gz WPQGLKMMNIDMIU-GOSISDBHSA-N 1 1 389.499 4.244 20 0 GIADMO C[C@H](O)CC(C)(C)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000174526893 822801395 /nfs/dbraw/zinc/80/13/95/822801395.db2.gz PZYNAQUHBQVZMZ-KRWDZBQOSA-N 1 1 375.557 4.370 20 0 GIADMO CCn1ccnc1[C@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000456353430 822801533 /nfs/dbraw/zinc/80/15/33/822801533.db2.gz MIEZCKMZLRPCCD-SFHVURJKSA-N 1 1 376.504 4.026 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)C1 ZINC000174536575 822802625 /nfs/dbraw/zinc/80/26/25/822802625.db2.gz DRONXOZJSARRQP-MRXNPFEDSA-N 1 1 396.959 4.187 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](c4nncn4C(C)C)C3)o2)cc1 ZINC000174547118 822803495 /nfs/dbraw/zinc/80/34/95/822803495.db2.gz MFPVIKLWRROALR-WMZOPIPTSA-N 1 1 380.496 4.158 20 0 GIADMO CCCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OCCC ZINC000174548550 822803627 /nfs/dbraw/zinc/80/36/27/822803627.db2.gz HBEJBOMAFRKESV-YQQQUEKLSA-N 1 1 389.540 4.401 20 0 GIADMO CC(=O)Nc1ccccc1C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000185634598 822804714 /nfs/dbraw/zinc/80/47/14/822804714.db2.gz JCAPHPPYBAJJQZ-UHFFFAOYSA-N 1 1 397.519 4.172 20 0 GIADMO CC(=O)Nc1ccccc1C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000185634598 822804718 /nfs/dbraw/zinc/80/47/18/822804718.db2.gz JCAPHPPYBAJJQZ-UHFFFAOYSA-N 1 1 397.519 4.172 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC[N@H+]1C ZINC000174568413 822806135 /nfs/dbraw/zinc/80/61/35/822806135.db2.gz CRLCJCBVUNWDMI-NVXWUHKLSA-N 1 1 378.948 4.277 20 0 GIADMO C[N@H+]1CCN(C(=O)c2ccc(C3SCCS3)cc2)C2(CCCCC2)C1 ZINC000174572064 822806645 /nfs/dbraw/zinc/80/66/45/822806645.db2.gz JDZVMMIUFIVJLD-UHFFFAOYSA-N 1 1 376.591 4.256 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)c(C(F)(F)F)c1 ZINC000052664725 822806886 /nfs/dbraw/zinc/80/68/86/822806886.db2.gz FIDUTDBZCWDFRI-UHFFFAOYSA-N 1 1 397.441 4.399 20 0 GIADMO CC[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@H](C)c1cccc(OC)c1 ZINC000052706223 822807774 /nfs/dbraw/zinc/80/77/74/822807774.db2.gz HATUQRKYUMBLPF-QGZVFWFLSA-N 1 1 391.515 4.144 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000052712177 822808069 /nfs/dbraw/zinc/80/80/69/822808069.db2.gz ZLNWXRWYFGZFGZ-QWHCGFSZSA-N 1 1 396.409 4.400 20 0 GIADMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2csc(-c3cccs3)n2)cc1 ZINC000185666755 822808261 /nfs/dbraw/zinc/80/82/61/822808261.db2.gz HCMAICMZRPLPSE-CYBMUJFWSA-N 1 1 388.514 4.274 20 0 GIADMO C[C@@H](NCC(=O)N(Cc1ccco1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675567 822809004 /nfs/dbraw/zinc/80/90/04/822809004.db2.gz QJBMFTWZAKTGJO-UXHICEINSA-N 1 1 395.547 4.055 20 0 GIADMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000052747611 822809359 /nfs/dbraw/zinc/80/93/59/822809359.db2.gz ARIHOXGNUMQYAU-UHFFFAOYSA-N 1 1 393.462 4.184 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCOC[C@H]2c2ccc(F)cc2)cc1)C1CC1 ZINC000456482396 822809775 /nfs/dbraw/zinc/80/97/75/822809775.db2.gz RHWCSFYMOXJGCQ-QFIPXVFZSA-N 1 1 382.479 4.024 20 0 GIADMO C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683142 822809808 /nfs/dbraw/zinc/80/98/08/822809808.db2.gz ABOOBTFWYLWHLB-WMZOPIPTSA-N 1 1 375.582 4.203 20 0 GIADMO C[C@H](NCc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683142 822809812 /nfs/dbraw/zinc/80/98/12/822809812.db2.gz ABOOBTFWYLWHLB-WMZOPIPTSA-N 1 1 375.582 4.203 20 0 GIADMO C[N@@H+](CCSc1nnc(Cc2ccccc2F)o1)Cc1ccc(F)cc1 ZINC000185691489 822810627 /nfs/dbraw/zinc/81/06/27/822810627.db2.gz RLRMWRONODTXFY-UHFFFAOYSA-N 1 1 375.444 4.163 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000174603408 822810867 /nfs/dbraw/zinc/81/08/67/822810867.db2.gz ZCPVUIZXCBVCEI-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000174603408 822810871 /nfs/dbraw/zinc/81/08/71/822810871.db2.gz ZCPVUIZXCBVCEI-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804119 822811114 /nfs/dbraw/zinc/81/11/14/822811114.db2.gz DHLNIUQKWHRAPA-DNVCBOLYSA-N 1 1 383.517 4.039 20 0 GIADMO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804119 822811118 /nfs/dbraw/zinc/81/11/18/822811118.db2.gz DHLNIUQKWHRAPA-DNVCBOLYSA-N 1 1 383.517 4.039 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)nc1 ZINC000174605265 822811296 /nfs/dbraw/zinc/81/12/96/822811296.db2.gz BISSHEIHTWULDG-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)nc1 ZINC000174605265 822811297 /nfs/dbraw/zinc/81/12/97/822811297.db2.gz BISSHEIHTWULDG-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO C[C@@H](NCc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185699563 822811323 /nfs/dbraw/zinc/81/13/23/822811323.db2.gz NIWIGURLXJYGET-RTBURBONSA-N 1 1 378.564 4.104 20 0 GIADMO 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Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186031101 822845428 /nfs/dbraw/zinc/84/54/28/822845428.db2.gz BSPRJDOBCQQWEM-GFCCVEGCSA-N 1 1 395.272 4.282 20 0 GIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[nH]c2c1C(=O)CCC2 ZINC000053720547 822845971 /nfs/dbraw/zinc/84/59/71/822845971.db2.gz GLURSXCOTNAPMA-OAHLLOKOSA-N 1 1 379.504 4.469 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000174851230 822846394 /nfs/dbraw/zinc/84/63/94/822846394.db2.gz LSXXQXIMPUGUHJ-RDJZCZTQSA-N 1 1 385.474 4.010 20 0 GIADMO CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000174852395 822846527 /nfs/dbraw/zinc/84/65/27/822846527.db2.gz GQQZRCUBGHNGTJ-OXJNMPFZSA-N 1 1 390.572 4.114 20 0 GIADMO C[C@H](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C(=O)c1cccc(F)c1 ZINC000174856050 822847131 /nfs/dbraw/zinc/84/71/31/822847131.db2.gz QCPRERYTTACRQE-QYZOEREBSA-N 1 1 388.527 4.148 20 0 GIADMO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCc4ncc(-c5ccccc5)cn4)[C@@H]3C2)cc1 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377.579 4.090 20 0 GIADMO CCc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457101024 822853269 /nfs/dbraw/zinc/85/32/69/822853269.db2.gz XNTFVDJOLHELAZ-CQSZACIVSA-N 1 1 375.900 4.112 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2sccc2OC)CC1 ZINC000186154456 822856266 /nfs/dbraw/zinc/85/62/66/822856266.db2.gz RNKKMNXJVSUIOL-CVEARBPZSA-N 1 1 391.556 4.450 20 0 GIADMO C[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)C1CC1 ZINC000457170459 822858699 /nfs/dbraw/zinc/85/86/99/822858699.db2.gz QJFQRZPGACMBBL-UHFFFAOYSA-N 1 1 396.409 4.449 20 0 GIADMO COc1cccc(COCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000054012011 822858817 /nfs/dbraw/zinc/85/88/17/822858817.db2.gz MSCDHNHAJBTFQB-UHFFFAOYSA-N 1 1 393.487 4.219 20 0 GIADMO C[N@@H+](CCCCNC(=O)c1cc(Br)cc(C(F)(F)F)c1)C1CC1 ZINC000457173937 822859052 /nfs/dbraw/zinc/85/90/52/822859052.db2.gz VSFVSYZVRXZBPJ-UHFFFAOYSA-N 1 1 393.247 4.072 20 0 GIADMO C[N@@H+](CCCCNC(=O)c1cc2ccc(Br)cc2s1)C1CC1 ZINC000457189564 822859544 /nfs/dbraw/zinc/85/95/44/822859544.db2.gz UIWBRYLECLESPG-UHFFFAOYSA-N 1 1 381.339 4.268 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)CC1 ZINC000186201576 822860298 /nfs/dbraw/zinc/86/02/98/822860298.db2.gz MIECXYYYWOVYPU-UHFFFAOYSA-N 1 1 393.453 4.243 20 0 GIADMO CN(C(=O)c1ncoc1-c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000186206107 822860835 /nfs/dbraw/zinc/86/08/35/822860835.db2.gz UBGLWEXOSYFJBO-FQEVSTJZSA-N 1 1 393.462 4.217 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@H](C)c3c(F)cccc3Cl)CC2)[nH+]c1 ZINC000174958420 822861352 /nfs/dbraw/zinc/86/13/52/822861352.db2.gz ZWPSAPZWTLHGLN-CQSZACIVSA-N 1 1 375.875 4.276 20 0 GIADMO COc1ccc([C@@H]2CCCCC[N@H+]2CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000054172963 822865599 /nfs/dbraw/zinc/86/55/99/822865599.db2.gz OLOYTZGJTUVITL-NRFANRHFSA-N 1 1 377.488 4.092 20 0 GIADMO O=C(C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1)N1CCCCCC1 ZINC000054172840 822865686 /nfs/dbraw/zinc/86/56/86/822865686.db2.gz RRRGMFJIJFCOGK-UHFFFAOYSA-N 1 1 397.332 4.203 20 0 GIADMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000054174169 822866016 /nfs/dbraw/zinc/86/60/16/822866016.db2.gz HTXAOXOQGUPFBB-GFCCVEGCSA-N 1 1 376.287 4.465 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000175007458 822866302 /nfs/dbraw/zinc/86/63/02/822866302.db2.gz KEBIFEZGXQDCJE-OAHLLOKOSA-N 1 1 375.563 4.100 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1c(F)cccc1OC ZINC000186263434 822866831 /nfs/dbraw/zinc/86/68/31/822866831.db2.gz PKBTZFSLTJVRDQ-GOSISDBHSA-N 1 1 385.483 4.210 20 0 GIADMO Cc1cccnc1NC(=O)C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000054207629 822868297 /nfs/dbraw/zinc/86/82/97/822868297.db2.gz ZUGOWIQLCGWXGV-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(Cl)c1 ZINC000568998536 822868508 /nfs/dbraw/zinc/86/85/08/822868508.db2.gz XATYUCPSZCTKTM-WBVHZDCISA-N 1 1 388.943 4.143 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(Cl)c1 ZINC000568998536 822868510 /nfs/dbraw/zinc/86/85/10/822868510.db2.gz XATYUCPSZCTKTM-WBVHZDCISA-N 1 1 388.943 4.143 20 0 GIADMO Cc1c(F)cccc1NC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175020348 822868640 /nfs/dbraw/zinc/86/86/40/822868640.db2.gz IROAASLWPCCWTB-HZPDHXFCSA-N 1 1 385.483 4.065 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000054227371 822869856 /nfs/dbraw/zinc/86/98/56/822869856.db2.gz KOCWVPVGCNAIKG-PXNSSMCTSA-N 1 1 391.540 4.304 20 0 GIADMO Cc1ccc([C@@H]2CCCCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000175027165 822870381 /nfs/dbraw/zinc/87/03/81/822870381.db2.gz YUCCPXRQNDPCHH-IBGZPJMESA-N 1 1 382.508 4.197 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000054255642 822871317 /nfs/dbraw/zinc/87/13/17/822871317.db2.gz FTFHXXOBKTUWMG-UHFFFAOYSA-N 1 1 385.321 4.059 20 0 GIADMO CSCc1cccnc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000569043310 822872722 /nfs/dbraw/zinc/87/27/22/822872722.db2.gz JQEFMCMIPZANIL-CTNGQTDRSA-N 1 1 395.572 4.071 20 0 GIADMO Cc1ccc2[nH]c(C(=O)Nc3ccc([C@@H](C)[NH+]4CCOCC4)cc3)cc2c1C ZINC000569047113 822873314 /nfs/dbraw/zinc/87/33/14/822873314.db2.gz JOOQGAOUJTWZEZ-QGZVFWFLSA-N 1 1 377.488 4.430 20 0 GIADMO CCN(C(=O)Cc1coc(-c2cccs2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186302457 822873367 /nfs/dbraw/zinc/87/33/67/822873367.db2.gz YNLXBQFPZZTAAJ-IBGZPJMESA-N 1 1 395.528 4.069 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000054286835 822873391 /nfs/dbraw/zinc/87/33/91/822873391.db2.gz SFXZSEPSDFANSZ-MRXNPFEDSA-N 1 1 399.560 4.241 20 0 GIADMO CCN(C(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186304127 822873553 /nfs/dbraw/zinc/87/35/53/822873553.db2.gz RYYDMMQQTQQOCA-MRXNPFEDSA-N 1 1 378.303 4.125 20 0 GIADMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000175052490 822874219 /nfs/dbraw/zinc/87/42/19/822874219.db2.gz XZALSEUXEWSHOE-AWEZNQCLSA-N 1 1 399.491 4.113 20 0 GIADMO O=S1(=O)CC[C@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)c2ccccc21 ZINC000186309674 822874287 /nfs/dbraw/zinc/87/42/87/822874287.db2.gz LXKUICPYVHEQOW-IRXDYDNUSA-N 1 1 377.893 4.062 20 0 GIADMO O=C(c1cnc2ccccc2c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000457449058 822875997 /nfs/dbraw/zinc/87/59/97/822875997.db2.gz XRGKZYHLJBEODM-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1cnc2ccccc2c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000457449058 822876001 /nfs/dbraw/zinc/87/60/01/822876001.db2.gz XRGKZYHLJBEODM-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO C[N@H+]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C2(CCCCC2)C1 ZINC000175068247 822876996 /nfs/dbraw/zinc/87/69/96/822876996.db2.gz NGFZOTSRKGKXPC-UHFFFAOYSA-N 1 1 384.351 4.272 20 0 GIADMO CC[N@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H](C)c1cccc(OC)c1 ZINC000054339815 822877184 /nfs/dbraw/zinc/87/71/84/822877184.db2.gz WHXTVLMPFGNJMW-HNNXBMFYSA-N 1 1 397.475 4.346 20 0 GIADMO CC[N@@H+](Cc1nc(-c2ccc(OC)cc2OC)no1)[C@@H](C)c1cccc(OC)c1 ZINC000054339815 822877188 /nfs/dbraw/zinc/87/71/88/822877188.db2.gz WHXTVLMPFGNJMW-HNNXBMFYSA-N 1 1 397.475 4.346 20 0 GIADMO O=C(Nc1ccc2c(c1)CCC2=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000569080486 822877997 /nfs/dbraw/zinc/87/79/97/822877997.db2.gz ZDFDUUKKSPMNDH-SEJPIABJSA-N 1 1 389.499 4.133 20 0 GIADMO CC(C)Nc1ncccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175083739 822879254 /nfs/dbraw/zinc/87/92/54/822879254.db2.gz UJAQZPDAJKNJHD-UYAOXDASSA-N 1 1 380.536 4.027 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccccc2N2CCCC2)C1 ZINC000054382179 822879513 /nfs/dbraw/zinc/87/95/13/822879513.db2.gz HBBNBFDERZAOOZ-QUCCMNQESA-N 1 1 378.520 4.244 20 0 GIADMO Cc1ccccc1NC(=O)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000054392911 822881499 /nfs/dbraw/zinc/88/14/99/822881499.db2.gz BVEPXNHNQBLLSA-UHFFFAOYSA-N 1 1 394.494 4.038 20 0 GIADMO CCN(C(=O)c1cc(-c2csc(C)n2)c[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186359507 822881542 /nfs/dbraw/zinc/88/15/42/822881542.db2.gz DSYNXNDNXIMMIP-IBGZPJMESA-N 1 1 394.544 4.183 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000186358168 822881693 /nfs/dbraw/zinc/88/16/93/822881693.db2.gz ITVOPNDFMOIJQU-AWEZNQCLSA-N 1 1 398.532 4.188 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054406247 822882514 /nfs/dbraw/zinc/88/25/14/822882514.db2.gz NQHPQLATSKXPCW-LAUBAEHRSA-N 1 1 394.519 4.238 20 0 GIADMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1 ZINC000175103361 822882668 /nfs/dbraw/zinc/88/26/68/822882668.db2.gz MRBMXYFCQQYEDQ-QGZVFWFLSA-N 1 1 397.519 4.025 20 0 GIADMO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CCN1Cc1ccccc1 ZINC000186393414 822887024 /nfs/dbraw/zinc/88/70/24/822887024.db2.gz VIQDSFCZZKJYBP-PGRDOPGGSA-N 1 1 380.532 4.474 20 0 GIADMO C[C@H]1C[C@H](NCc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1Cc1ccccc1 ZINC000186393414 822887026 /nfs/dbraw/zinc/88/70/26/822887026.db2.gz VIQDSFCZZKJYBP-PGRDOPGGSA-N 1 1 380.532 4.474 20 0 GIADMO C[C@H]1C[C@H](NCc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1Cc1ccccc1 ZINC000186393414 822887030 /nfs/dbraw/zinc/88/70/30/822887030.db2.gz VIQDSFCZZKJYBP-PGRDOPGGSA-N 1 1 380.532 4.474 20 0 GIADMO Fc1ccc([C@H]2C[C@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c(F)c1 ZINC000569168969 822887671 /nfs/dbraw/zinc/88/76/71/822887671.db2.gz CRSZDKRUMUNVOQ-RTBURBONSA-N 1 1 397.425 4.118 20 0 GIADMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000175131012 822888623 /nfs/dbraw/zinc/88/86/23/822888623.db2.gz XJRCCEXBINIXMR-JOCHJYFZSA-N 1 1 377.488 4.275 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000457550410 822889573 /nfs/dbraw/zinc/88/95/73/822889573.db2.gz CBCYLGHVAPSGRL-OAHLLOKOSA-N 1 1 398.532 4.087 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2sc(C)cc2Br)CC1 ZINC000457553692 822890298 /nfs/dbraw/zinc/89/02/98/822890298.db2.gz JHJPYDQNIIHVJE-UHFFFAOYSA-N 1 1 387.387 4.403 20 0 GIADMO Cc1ccccc1C(=O)NC1CC[NH+](Cn2c3ccccc3oc2=S)CC1 ZINC000054491602 822890561 /nfs/dbraw/zinc/89/05/61/822890561.db2.gz KKRZOVKDSSDCND-UHFFFAOYSA-N 1 1 381.501 4.124 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)C1 ZINC000054511060 822891836 /nfs/dbraw/zinc/89/18/36/822891836.db2.gz KCTYYHNPYSPAKO-HNNXBMFYSA-N 1 1 383.458 4.111 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)c3ccc(OC(C)C)cc3Cl)CC2)[nH+]1 ZINC000457563454 822891796 /nfs/dbraw/zinc/89/17/96/822891796.db2.gz DMMBURSNWFIARE-UHFFFAOYSA-N 1 1 387.911 4.229 20 0 GIADMO CC[C@H](CC(F)F)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000457565722 822892230 /nfs/dbraw/zinc/89/22/30/822892230.db2.gz HYXFGZMGONGROZ-HIFRSBDPSA-N 1 1 378.385 4.077 20 0 GIADMO CCOC(=O)N(C)c1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000054530890 822893694 /nfs/dbraw/zinc/89/36/94/822893694.db2.gz RBAVCVBBNYRMMB-QGZVFWFLSA-N 1 1 390.528 4.055 20 0 GIADMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186431676 822894108 /nfs/dbraw/zinc/89/41/08/822894108.db2.gz OUQXNANKSICRFD-QHCPKHFHSA-N 1 1 395.453 4.399 20 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ZINC000457635931 822899454 /nfs/dbraw/zinc/89/94/54/822899454.db2.gz JOZINUOXCYQISQ-IUODEOHRSA-N 1 1 393.350 4.212 20 0 GIADMO CCCN(C(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H](C)c1ccccc1OC ZINC000569275115 822899870 /nfs/dbraw/zinc/89/98/70/822899870.db2.gz YHUOLGZRWGBETR-LJQANCHMSA-N 1 1 383.536 4.310 20 0 GIADMO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000569275623 822899933 /nfs/dbraw/zinc/89/99/33/822899933.db2.gz LEKSDIZYBMHZPV-AWEZNQCLSA-N 1 1 397.445 4.050 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C2CC2)n1 ZINC000186467042 822899951 /nfs/dbraw/zinc/89/99/51/822899951.db2.gz RTTFPBLFGOFWKR-HOCLYGCPSA-N 1 1 395.450 4.317 20 0 GIADMO Cc1c(Cl)cncc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000457643235 822900153 /nfs/dbraw/zinc/90/01/53/822900153.db2.gz CSVKBFWBBWUYIZ-GHTZIAJQSA-N 1 1 383.923 4.170 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cncc(F)c1 ZINC000457653932 822901783 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ZINC000569418714 822920528 /nfs/dbraw/zinc/92/05/28/822920528.db2.gz FSDMFVBZTQOJMT-MRXNPFEDSA-N 1 1 387.321 4.189 20 0 GIADMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000175272625 822921232 /nfs/dbraw/zinc/92/12/32/822921232.db2.gz WBKNTSMUSCZPOR-UONOGXRCSA-N 1 1 389.462 4.156 20 0 GIADMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000175272625 822921235 /nfs/dbraw/zinc/92/12/35/822921235.db2.gz WBKNTSMUSCZPOR-UONOGXRCSA-N 1 1 389.462 4.156 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000175276947 822922133 /nfs/dbraw/zinc/92/21/33/822922133.db2.gz JUERLGXENQTFPG-ZJSXRUAMSA-N 1 1 392.543 4.061 20 0 GIADMO CCC(=O)Nc1cccc(C(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175277240 822922546 /nfs/dbraw/zinc/92/25/46/822922546.db2.gz YSNFROUNDMOQEL-FQEVSTJZSA-N 1 1 393.531 4.019 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c2ccccc12 ZINC000175280470 822923125 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1 1 392.478 4.126 20 0 GIADMO Clc1cccc(-c2noc(CC[N@H+]3CC[C@]4(C3)OCc3ccccc34)n2)c1 ZINC000186637205 822927495 /nfs/dbraw/zinc/92/74/95/822927495.db2.gz DDPJPJGVYZXTDR-OAQYLSRUSA-N 1 1 381.863 4.064 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000569484221 822928500 /nfs/dbraw/zinc/92/85/00/822928500.db2.gz DTYLXFQLOUXXLO-LLVKDONJSA-N 1 1 377.257 4.324 20 0 GIADMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(-n2ccnc2)cc1 ZINC000186649185 822929415 /nfs/dbraw/zinc/92/94/15/822929415.db2.gz RKPLADLISRFIOL-ZHRRBRCNSA-N 1 1 375.451 4.185 20 0 GIADMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000457897089 822930358 /nfs/dbraw/zinc/93/03/58/822930358.db2.gz ITZPJEKGNUDHAG-MNEFBYGVSA-N 1 1 395.469 4.158 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1Br)CCc1ccc(F)cc1 ZINC000055025101 822931874 /nfs/dbraw/zinc/93/18/74/822931874.db2.gz QMPXPSWVBHVVKA-UHFFFAOYSA-N 1 1 379.273 4.091 20 0 GIADMO C[N@H+]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1 ZINC000569512399 822932322 /nfs/dbraw/zinc/93/23/22/822932322.db2.gz GVYYBYHBSLVEMU-HSZRJFAPSA-N 1 1 399.538 4.151 20 0 GIADMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000055031826 822932553 /nfs/dbraw/zinc/93/25/53/822932553.db2.gz YUOJZFSCTRRQKW-UHFFFAOYSA-N 1 1 394.450 4.267 20 0 GIADMO Brc1ccc(-c2ccc(C[NH2+]C3CCN(C4CC4)CC3)o2)cc1 ZINC000055043154 822933733 /nfs/dbraw/zinc/93/37/33/822933733.db2.gz KXQLYYCOHSOOTD-UHFFFAOYSA-N 1 1 375.310 4.426 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCC[C@H]2CCCCO2)c1 ZINC000186686399 822937166 /nfs/dbraw/zinc/93/71/66/822937166.db2.gz UUJKDGIMQMYKPK-HSZRJFAPSA-N 1 1 380.532 4.398 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)[C@H]1c1cccs1 ZINC000569541920 822937439 /nfs/dbraw/zinc/93/74/39/822937439.db2.gz GWPBGGJEJNYMNV-SNPRPXQTSA-N 1 1 391.503 4.407 20 0 GIADMO O=C(c1cc(Cl)cc2cccnc21)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000055095847 822937531 /nfs/dbraw/zinc/93/75/31/822937531.db2.gz VKHLNWQNTHYHNU-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055102379 822938296 /nfs/dbraw/zinc/93/82/96/822938296.db2.gz YDRXEAFTXLKJPB-UHFFFAOYSA-N 1 1 378.516 4.019 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)co2)cc1 ZINC000186692969 822938586 /nfs/dbraw/zinc/93/85/86/822938586.db2.gz KFNDTCZWCVDSNB-QHCPKHFHSA-N 1 1 376.456 4.372 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)co2)cc1 ZINC000186692969 822938592 /nfs/dbraw/zinc/93/85/92/822938592.db2.gz KFNDTCZWCVDSNB-QHCPKHFHSA-N 1 1 376.456 4.372 20 0 GIADMO CCOc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CCO2 ZINC000186693467 822938781 /nfs/dbraw/zinc/93/87/81/822938781.db2.gz KDCJQGDOFLJAEW-HTAPYJJXSA-N 1 1 384.520 4.200 20 0 GIADMO Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000569556825 822939362 /nfs/dbraw/zinc/93/93/62/822939362.db2.gz HZZJVWHLZBGLDK-UHFFFAOYSA-N 1 1 386.923 4.255 20 0 GIADMO CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000186700412 822940417 /nfs/dbraw/zinc/94/04/17/822940417.db2.gz JYUBONXPOYZIJI-JTSKRJEESA-N 1 1 384.520 4.200 20 0 GIADMO CC(=O)N1CCc2cc(C(=O)[C@@H](C)[NH2+][C@H](C)c3ccccc3OC(C)C)ccc21 ZINC000055152020 822941256 /nfs/dbraw/zinc/94/12/56/822941256.db2.gz OCVBVFBUOURXQL-IAGOWNOFSA-N 1 1 394.515 4.305 20 0 GIADMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc(Br)cc2ccccc21 ZINC000569597467 822943309 /nfs/dbraw/zinc/94/33/09/822943309.db2.gz WVEXRJHKOWMJGG-UHFFFAOYSA-N 1 1 384.277 4.065 20 0 GIADMO COc1ccc([C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c2ccc(F)cc2)cc1 ZINC000457975326 822946712 /nfs/dbraw/zinc/94/67/12/822946712.db2.gz UBLFYSMNBHQKDT-IFMALSPDSA-N 1 1 399.510 4.048 20 0 GIADMO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(Br)ccc1Br ZINC000186759644 822950770 /nfs/dbraw/zinc/95/07/70/822950770.db2.gz OIYNAKJTUJESEB-VIFPVBQESA-N 1 1 387.119 4.104 20 0 GIADMO CCc1c(NC(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)cnn1-c1ccccc1 ZINC000569654564 822950803 /nfs/dbraw/zinc/95/08/03/822950803.db2.gz HFMUOBSWOMXTAQ-JOCHJYFZSA-N 1 1 376.504 4.284 20 0 GIADMO CC(C)n1cc2cc(NC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)ccc2n1 ZINC000569659645 822951904 /nfs/dbraw/zinc/95/19/04/822951904.db2.gz DIIHAONYLJRUIB-NRFANRHFSA-N 1 1 377.492 4.138 20 0 GIADMO CC(C)n1cc2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)ccc2n1 ZINC000569659645 822951907 /nfs/dbraw/zinc/95/19/07/822951907.db2.gz DIIHAONYLJRUIB-NRFANRHFSA-N 1 1 377.492 4.138 20 0 GIADMO CC(C)n1cc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc2n1 ZINC000569659646 822951915 /nfs/dbraw/zinc/95/19/15/822951915.db2.gz DIIHAONYLJRUIB-OAQYLSRUSA-N 1 1 377.492 4.138 20 0 GIADMO CC(C)n1cc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc2n1 ZINC000569659646 822951919 /nfs/dbraw/zinc/95/19/19/822951919.db2.gz DIIHAONYLJRUIB-OAQYLSRUSA-N 1 1 377.492 4.138 20 0 GIADMO C[C@@H]1[C@@H](NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000569726329 822959366 /nfs/dbraw/zinc/95/93/66/822959366.db2.gz SZMFSEYYARJAKY-PVAVHDDUSA-N 1 1 383.458 4.022 20 0 GIADMO Cc1cnc([C@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C2CC2)s1 ZINC000175401295 822959758 /nfs/dbraw/zinc/95/97/58/822959758.db2.gz YITZJOZZOQVSPL-LJQANCHMSA-N 1 1 386.565 4.242 20 0 GIADMO C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Oc2cccnc2)cc1 ZINC000569730626 822959986 /nfs/dbraw/zinc/95/99/86/822959986.db2.gz GYRIYHOVNDYUTI-HTAPYJJXSA-N 1 1 375.472 4.354 20 0 GIADMO CSCc1ccc(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000055425541 822961240 /nfs/dbraw/zinc/96/12/40/822961240.db2.gz KHXUMUAZXDEDMY-UHFFFAOYSA-N 1 1 391.540 4.056 20 0 GIADMO COc1c(F)cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1F ZINC000175411647 822962301 /nfs/dbraw/zinc/96/23/01/822962301.db2.gz WMSMUJKYSKOWIX-SJKOYZFVSA-N 1 1 395.475 4.240 20 0 GIADMO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000186828037 822962859 /nfs/dbraw/zinc/96/28/59/822962859.db2.gz HFUZFGCVTFXPJI-CYBMUJFWSA-N 1 1 379.888 4.150 20 0 GIADMO COc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000186834814 822964163 /nfs/dbraw/zinc/96/41/63/822964163.db2.gz WBNHZXAFBNHNLR-SJLPKXTDSA-N 1 1 385.483 4.317 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000175421045 822964575 /nfs/dbraw/zinc/96/45/75/822964575.db2.gz FHWATEATDPGAGP-SRGMZFCMSA-N 1 1 396.915 4.238 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000569764864 822965497 /nfs/dbraw/zinc/96/54/97/822965497.db2.gz ZSMPVYZRIJZPFI-XMMPIXPASA-N 1 1 399.506 4.208 20 0 GIADMO CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458178821 822965643 /nfs/dbraw/zinc/96/56/43/822965643.db2.gz XBTYQRJNTRMKNI-KRWDZBQOSA-N 1 1 387.593 4.493 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](c2ccccc2C)C(C)(C)C)cn1 ZINC000175429192 822966441 /nfs/dbraw/zinc/96/64/41/822966441.db2.gz IOGCYTOCAYTLKE-OAQYLSRUSA-N 1 1 391.519 4.471 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000569777934 822967680 /nfs/dbraw/zinc/96/76/80/822967680.db2.gz UUZOECXBZVPAQF-UHFFFAOYSA-N 1 1 386.503 4.017 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1csc(CC(=O)N(C)C)n1 ZINC000175436227 822968613 /nfs/dbraw/zinc/96/86/13/822968613.db2.gz MLNLZYGSDBUQEJ-KBPBESRZSA-N 1 1 379.957 4.051 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[C@H]1CCC[C@H]1C ZINC000186860099 822969616 /nfs/dbraw/zinc/96/96/16/822969616.db2.gz HRHSIRPTVDDGEE-DUXKGJEZSA-N 1 1 380.536 4.403 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cnc(C(C)C)s3)C2)s1 ZINC000569797128 822970327 /nfs/dbraw/zinc/97/03/27/822970327.db2.gz XEGNICUBVAVEMN-HNNXBMFYSA-N 1 1 377.579 4.231 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000569805101 822971447 /nfs/dbraw/zinc/97/14/47/822971447.db2.gz CULXXQFQMIUXGZ-GHMZBOCLSA-N 1 1 378.263 4.317 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)CC2)[nH+]c1 ZINC000175449875 822971497 /nfs/dbraw/zinc/97/14/97/822971497.db2.gz UNFUPKYVCJGCBR-SFHVURJKSA-N 1 1 396.535 4.206 20 0 GIADMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000055528012 822974876 /nfs/dbraw/zinc/97/48/76/822974876.db2.gz MJMFNKCWSITTJE-FQEVSTJZSA-N 1 1 385.508 4.162 20 0 GIADMO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000175463516 822975207 /nfs/dbraw/zinc/97/52/07/822975207.db2.gz RPYRJGJNPJJRGE-OAQYLSRUSA-N 1 1 391.519 4.047 20 0 GIADMO CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000175480505 822979029 /nfs/dbraw/zinc/97/90/29/822979029.db2.gz VVRMFKHOFVJPOC-LPHOPBHVSA-N 1 1 390.524 4.073 20 0 GIADMO CCc1ccc(-c2noc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)n2)cc1 ZINC000186920850 822980265 /nfs/dbraw/zinc/98/02/65/822980265.db2.gz TZWDBSGJHZYZIX-UHFFFAOYSA-N 1 1 395.478 4.008 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186921780 822980727 /nfs/dbraw/zinc/98/07/27/822980727.db2.gz DHAXXMBXORZLCP-MRXNPFEDSA-N 1 1 397.544 4.082 20 0 GIADMO CC[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)c1nc(C)cs1 ZINC000458303411 822980811 /nfs/dbraw/zinc/98/08/11/822980811.db2.gz ATDPFWFYNWVRCS-VQIMIIECSA-N 1 1 386.565 4.066 20 0 GIADMO CC(C)Sc1ccc([C@H](C)NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000458331152 822983987 /nfs/dbraw/zinc/98/39/87/822983987.db2.gz ZMMGYLKTBTZFFR-LAUBAEHRSA-N 1 1 375.582 4.375 20 0 GIADMO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)s1 ZINC000175508521 822986312 /nfs/dbraw/zinc/98/63/12/822986312.db2.gz HLVAJXJZZZQPNO-AOCRQIFASA-N 1 1 393.597 4.132 20 0 GIADMO CN(Cc1ccc(Cl)nc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000175515860 822988702 /nfs/dbraw/zinc/98/87/02/822988702.db2.gz MJKVGCNPSVTYTK-MAUKXSAKSA-N 1 1 392.956 4.021 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)C(C)(C)C)c2C1 ZINC000569948674 822988753 /nfs/dbraw/zinc/98/87/53/822988753.db2.gz XIAYNSFGEMPNDQ-MRXNPFEDSA-N 1 1 387.568 4.174 20 0 GIADMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2nc3ccccc3s2)c1 ZINC000175523960 822990547 /nfs/dbraw/zinc/99/05/47/822990547.db2.gz XYSAGPACOJBLSL-SFHVURJKSA-N 1 1 381.501 4.105 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2nc3ccccc3s2)c1 ZINC000175523960 822990551 /nfs/dbraw/zinc/99/05/51/822990551.db2.gz XYSAGPACOJBLSL-SFHVURJKSA-N 1 1 381.501 4.105 20 0 GIADMO CCc1nc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000175527140 822991258 /nfs/dbraw/zinc/99/12/58/822991258.db2.gz WVLDMMBEYBEPKW-RYRKJORJSA-N 1 1 386.565 4.119 20 0 GIADMO Cc1nc(CCCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cs1 ZINC000175532007 822992119 /nfs/dbraw/zinc/99/21/19/822992119.db2.gz JIURMXVFBWQEEC-QGZVFWFLSA-N 1 1 385.577 4.465 20 0 GIADMO Cc1nc(CCCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000175531992 822992189 /nfs/dbraw/zinc/99/21/89/822992189.db2.gz JIURMXVFBWQEEC-KRWDZBQOSA-N 1 1 385.577 4.465 20 0 GIADMO O=C(c1ccc(F)cc1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534930 822992796 /nfs/dbraw/zinc/99/27/96/822992796.db2.gz FCUIFVBUPKRZSL-KRWDZBQOSA-N 1 1 394.412 4.352 20 0 GIADMO Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@H](O)C45CCCC5)cc3)nc12 ZINC000569994886 822994413 /nfs/dbraw/zinc/99/44/13/822994413.db2.gz UVVMMXBZJMGTGY-QFIPXVFZSA-N 1 1 391.515 4.101 20 0 GIADMO COc1ccc2nc(C[NH+]3CCC(N(C)C(=O)OC(C)(C)C)CC3)sc2c1 ZINC000187006191 822995968 /nfs/dbraw/zinc/99/59/68/822995968.db2.gz ZJRGXIRYJVVOPJ-UHFFFAOYSA-N 1 1 391.537 4.136 20 0 GIADMO COc1ccc2nc(C[NH+]3CCC([C@@H](O)c4ccc(F)cc4)CC3)sc2c1 ZINC000187008215 822996524 /nfs/dbraw/zinc/99/65/24/822996524.db2.gz FBQSQDNOJXOYCB-NRFANRHFSA-N 1 1 386.492 4.390 20 0 GIADMO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000187010823 822997290 /nfs/dbraw/zinc/99/72/90/822997290.db2.gz BIIRSYCOLHSIQR-UZLBHIALSA-N 1 1 375.944 4.115 20 0 GIADMO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000187010823 822997292 /nfs/dbraw/zinc/99/72/92/822997292.db2.gz BIIRSYCOLHSIQR-UZLBHIALSA-N 1 1 375.944 4.115 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NCc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000187010823 822997294 /nfs/dbraw/zinc/99/72/94/822997294.db2.gz BIIRSYCOLHSIQR-UZLBHIALSA-N 1 1 375.944 4.115 20 0 GIADMO Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cs1 ZINC000187019949 822998596 /nfs/dbraw/zinc/99/85/96/822998596.db2.gz OYCDASKPDXEFPI-OZOXKJRCSA-N 1 1 398.576 4.351 20 0 GIADMO CC(C)N1CC[C@@H]([NH2+]Cc2nc(C3CC3)no2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570025197 822998575 /nfs/dbraw/zinc/99/85/75/822998575.db2.gz XJWXRMNAWVBGGD-SJLPKXTDSA-N 1 1 378.879 4.053 20 0 GIADMO CC[NH+]1CCN(c2ccc(C(=O)Nc3c(C)cc(OC)c(C)c3C)cc2F)CC1 ZINC000570068596 823002831 /nfs/dbraw/zinc/00/28/31/823002831.db2.gz GMAHHEQJBSKYQM-UHFFFAOYSA-N 1 1 399.510 4.154 20 0 GIADMO CN(C(=O)c1nc2ccccc2cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570092627 823005110 /nfs/dbraw/zinc/00/51/10/823005110.db2.gz VUJYNYILYSEBBJ-GOSISDBHSA-N 1 1 379.891 4.235 20 0 GIADMO CC1(C2CC2)CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000570099916 823005631 /nfs/dbraw/zinc/00/56/31/823005631.db2.gz DTTUHNJYOXDJGO-GOSISDBHSA-N 1 1 381.476 4.062 20 0 GIADMO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(C)s1 ZINC000570108924 823006305 /nfs/dbraw/zinc/00/63/05/823006305.db2.gz GNWMXDSBCODFNZ-WIYYLYMNSA-N 1 1 380.517 4.364 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000175617883 823007559 /nfs/dbraw/zinc/00/75/59/823007559.db2.gz GHTXTRMFRBUPOY-MOPGFXCFSA-N 1 1 396.535 4.138 20 0 GIADMO CC[C@@H](Oc1ccccc1F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000175620934 823008119 /nfs/dbraw/zinc/00/81/19/823008119.db2.gz FDIWJHMLSSPKCN-RKKYOWQMSA-N 1 1 396.506 4.295 20 0 GIADMO Cc1nc(C)c([C@@H](C)N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000175631125 823009844 /nfs/dbraw/zinc/00/98/44/823009844.db2.gz ZPVVVPNIFXTPJL-DOTOQJQBSA-N 1 1 388.581 4.373 20 0 GIADMO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1Oc1cccnc1 ZINC000175637029 823010796 /nfs/dbraw/zinc/01/07/96/823010796.db2.gz RRGRXACXIJQDJA-YQQQUEKLSA-N 1 1 380.492 4.319 20 0 GIADMO CC(C)([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccc(F)cc1 ZINC000175638739 823010945 /nfs/dbraw/zinc/01/09/45/823010945.db2.gz DMBDWTDDECKUCC-UHFFFAOYSA-N 1 1 383.492 4.237 20 0 GIADMO COc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1F ZINC000187108134 823011461 /nfs/dbraw/zinc/01/14/61/823011461.db2.gz UJNMOCBEGLLNDC-QFBILLFUSA-N 1 1 385.483 4.351 20 0 GIADMO COc1ccc(Cl)c(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175667457 823016361 /nfs/dbraw/zinc/01/63/61/823016361.db2.gz VVCXDICLWQMAQI-QGZVFWFLSA-N 1 1 387.911 4.334 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C)C1 ZINC000175673892 823017653 /nfs/dbraw/zinc/01/76/53/823017653.db2.gz CQGVVRORVSKHRX-MOPGFXCFSA-N 1 1 384.568 4.187 20 0 GIADMO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccccc1 ZINC000570247563 823018902 /nfs/dbraw/zinc/01/89/02/823018902.db2.gz HASNOGAIIXWLQZ-KRWDZBQOSA-N 1 1 377.282 4.017 20 0 GIADMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000187161104 823019308 /nfs/dbraw/zinc/01/93/08/823019308.db2.gz UJIWYGRWKKGRCN-UHFFFAOYSA-N 1 1 395.952 4.458 20 0 GIADMO 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380.463 4.448 20 0 GIADMO COCC[N@@H+](Cc1cccnc1)Cc1cccc(OCc2ccccc2F)c1 ZINC000570485863 823044552 /nfs/dbraw/zinc/04/45/52/823044552.db2.gz LPOYLCQVJZBESM-UHFFFAOYSA-N 1 1 380.463 4.448 20 0 GIADMO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncccc1O ZINC000570484739 823044579 /nfs/dbraw/zinc/04/45/79/823044579.db2.gz NLDZTVMUMKQMGY-CYBMUJFWSA-N 1 1 381.398 4.045 20 0 GIADMO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncccc1O ZINC000570484739 823044584 /nfs/dbraw/zinc/04/45/84/823044584.db2.gz NLDZTVMUMKQMGY-CYBMUJFWSA-N 1 1 381.398 4.045 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)/C=C/c1ccccc1OC(F)(F)F ZINC000060566654 823542988 /nfs/dbraw/zinc/54/29/88/823542988.db2.gz WKHHWPPZGOEEHO-PCUGXKRQSA-N 1 1 384.442 4.369 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N[C@H]2CCCc3sccc32)cc1)[NH+]1CCOCC1 ZINC000123830552 823543847 /nfs/dbraw/zinc/54/38/47/823543847.db2.gz UEJJKFODQNVPPM-KXBFYZLASA-N 1 1 385.533 4.340 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C2 ZINC000177909500 823545077 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FPMPKHYIXIPOEP-SGTLLEGYSA-N 1 1 382.813 4.180 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123934207 823553147 /nfs/dbraw/zinc/55/31/47/823553147.db2.gz FPMPKHYIXIPOEP-SGTLLEGYSA-N 1 1 382.813 4.180 20 0 GIADMO CCOC(=O)c1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cs1 ZINC000123952459 823554705 /nfs/dbraw/zinc/55/47/05/823554705.db2.gz UWBZPHHKIOAAMP-MOPGFXCFSA-N 1 1 388.533 4.188 20 0 GIADMO CCOC(=O)c1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)cs1 ZINC000123952459 823554710 /nfs/dbraw/zinc/55/47/10/823554710.db2.gz UWBZPHHKIOAAMP-MOPGFXCFSA-N 1 1 388.533 4.188 20 0 GIADMO CN1CC[NH+](Cc2ccc(CNc3ncc(C(F)(F)F)cc3Cl)cc2)CC1 ZINC000060741749 823554885 /nfs/dbraw/zinc/55/48/85/823554885.db2.gz VWNCSCYMJOIUCX-UHFFFAOYSA-N 1 1 398.860 4.113 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460981614 823555361 /nfs/dbraw/zinc/55/53/61/823555361.db2.gz HYKGPHJKWXDSDH-ICSRJNTNSA-N 1 1 382.552 4.052 20 0 GIADMO 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/nfs/dbraw/zinc/56/05/49/823560549.db2.gz OXJCJLMZDPONIO-AWEZNQCLSA-N 1 1 397.466 4.095 20 0 GIADMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1cn2cccc(C)c2n1 ZINC000124025466 823560979 /nfs/dbraw/zinc/56/09/79/823560979.db2.gz MXZSIUNNHZBXIP-UHFFFAOYSA-N 1 1 393.922 4.448 20 0 GIADMO CCCn1c(C[NH2+]Cc2ccc(C)nc2-n2cc(Cl)cn2)nc2ccccc21 ZINC000190308423 823561235 /nfs/dbraw/zinc/56/12/35/823561235.db2.gz OTIXCPQOAGNZOU-UHFFFAOYSA-N 1 1 394.910 4.279 20 0 GIADMO Cc1ccc(C[NH2+]Cc2csc(-c3ccccn3)n2)c(-n2cc(Cl)cn2)n1 ZINC000190307718 823561305 /nfs/dbraw/zinc/56/13/05/823561305.db2.gz MUKATOOYCRYYPP-UHFFFAOYSA-N 1 1 396.907 4.037 20 0 GIADMO COC1CCC([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411271957 823561550 /nfs/dbraw/zinc/56/15/50/823561550.db2.gz LUNZHRIFFJTPIP-UHFFFAOYSA-N 1 1 380.532 4.172 20 0 GIADMO CO[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000461027937 823561616 /nfs/dbraw/zinc/56/16/16/823561616.db2.gz NCRCPHBFDWXAAJ-ROUUACIJSA-N 1 1 381.303 4.100 20 0 GIADMO CC(C)c1c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cnn1-c1ccccc1Cl ZINC000461030755 823562190 /nfs/dbraw/zinc/56/21/90/823562190.db2.gz RHACUNAKOQJHNE-OAHLLOKOSA-N 1 1 376.932 4.108 20 0 GIADMO CC[C@H](C(=O)N[C@@H]1c2ccccc2CC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000461033830 823562666 /nfs/dbraw/zinc/56/26/66/823562666.db2.gz MYMJAKCDZSXYFH-DHIUTWEWSA-N 1 1 392.543 4.107 20 0 GIADMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000124049550 823563154 /nfs/dbraw/zinc/56/31/54/823563154.db2.gz ULKLJEHLKCNYHG-OAQYLSRUSA-N 1 1 393.560 4.463 20 0 GIADMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000124049550 823563155 /nfs/dbraw/zinc/56/31/55/823563155.db2.gz ULKLJEHLKCNYHG-OAQYLSRUSA-N 1 1 393.560 4.463 20 0 GIADMO CCC[N@@H+](CCC(=O)Nc1ccccc1Br)C[C@@H]1CCCCO1 ZINC000411370914 823567141 /nfs/dbraw/zinc/56/71/41/823567141.db2.gz VUDWZSIQVIOSDM-HNNXBMFYSA-N 1 1 383.330 4.059 20 0 GIADMO CC[C@@H](C[N@H+](C)[C@@H](C)c1nc(COC)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000190381768 823568106 /nfs/dbraw/zinc/56/81/06/823568106.db2.gz QBYAGJQGMFSUKE-RYUDHWBXSA-N 1 1 388.295 4.373 20 0 GIADMO CC[C@@H](C[N@@H+](C)[C@@H](C)c1nc(COC)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000190381768 823568108 /nfs/dbraw/zinc/56/81/08/823568108.db2.gz QBYAGJQGMFSUKE-RYUDHWBXSA-N 1 1 388.295 4.373 20 0 GIADMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000124117611 823569092 /nfs/dbraw/zinc/56/90/92/823569092.db2.gz HYOOPKJOANJGAN-HSZRJFAPSA-N 1 1 392.543 4.297 20 0 GIADMO CCCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124135907 823570771 /nfs/dbraw/zinc/57/07/71/823570771.db2.gz HJPXMOSCGFCGRR-GOSISDBHSA-N 1 1 392.551 4.144 20 0 GIADMO CCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124135907 823570772 /nfs/dbraw/zinc/57/07/72/823570772.db2.gz HJPXMOSCGFCGRR-GOSISDBHSA-N 1 1 392.551 4.144 20 0 GIADMO CCCNC(=O)CCC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000411405571 823570830 /nfs/dbraw/zinc/57/08/30/823570830.db2.gz ZRONZVBNBXRNTC-SFHVURJKSA-N 1 1 390.572 4.068 20 0 GIADMO Fc1cc(-c2ncco2)ccc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000411406336 823570847 /nfs/dbraw/zinc/57/08/47/823570847.db2.gz JAPWKOONAIOPFG-GOSISDBHSA-N 1 1 376.435 4.495 20 0 GIADMO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000190421999 823571475 /nfs/dbraw/zinc/57/14/75/823571475.db2.gz LBZONHZTWYHYQN-VIFPVBQESA-N 1 1 392.219 4.061 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H]1c1ncc[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000411425228 823572758 /nfs/dbraw/zinc/57/27/58/823572758.db2.gz GBGJKRUBXUDWAL-FQEVSTJZSA-N 1 1 376.460 4.368 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1ncc[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000411425228 823572759 /nfs/dbraw/zinc/57/27/59/823572759.db2.gz GBGJKRUBXUDWAL-FQEVSTJZSA-N 1 1 376.460 4.368 20 0 GIADMO c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc(-c2ccncc2)c1 ZINC000124164434 823573632 /nfs/dbraw/zinc/57/36/32/823573632.db2.gz DRWDXAHUXGIZED-JOCHJYFZSA-N 1 1 387.531 4.446 20 0 GIADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCC[N@@H+]1CCCC[C@@H]1C ZINC000061029110 823574226 /nfs/dbraw/zinc/57/42/26/823574226.db2.gz BBVUAENTNHGQGU-INIZCTEOSA-N 1 1 392.950 4.386 20 0 GIADMO C[C@@H]1CSCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000190440766 823574362 /nfs/dbraw/zinc/57/43/62/823574362.db2.gz XRWXDQVVPGWXPY-ZDUSSCGKSA-N 1 1 378.339 4.091 20 0 GIADMO O=C(CC[N@H+](Cc1ccco1)Cc1cccnc1)N[C@H]1CCCc2ccccc21 ZINC000411445395 823575021 /nfs/dbraw/zinc/57/50/21/823575021.db2.gz OUBFFWVHZZGLOU-QHCPKHFHSA-N 1 1 389.499 4.261 20 0 GIADMO O=C(CC[N@@H+](Cc1ccco1)Cc1cccnc1)N[C@H]1CCCc2ccccc21 ZINC000411445395 823575022 /nfs/dbraw/zinc/57/50/22/823575022.db2.gz OUBFFWVHZZGLOU-QHCPKHFHSA-N 1 1 389.499 4.261 20 0 GIADMO COC(=O)c1cc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)cs1 ZINC000411448790 823575649 /nfs/dbraw/zinc/57/56/49/823575649.db2.gz CMTBHIDNQRRKND-KRWDZBQOSA-N 1 1 375.490 4.016 20 0 GIADMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000190455370 823576964 /nfs/dbraw/zinc/57/69/64/823576964.db2.gz OCEAKHDIGBUITL-HNNXBMFYSA-N 1 1 381.476 4.034 20 0 GIADMO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000061072647 823577076 /nfs/dbraw/zinc/57/70/76/823577076.db2.gz VWGORUMHXLJNBN-GHTZIAJQSA-N 1 1 391.515 4.402 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C(C)(C)C)cn1 ZINC000411477594 823579480 /nfs/dbraw/zinc/57/94/80/823579480.db2.gz SMDPDRYIQHMVIX-QGZVFWFLSA-N 1 1 397.504 4.267 20 0 GIADMO CC[C@H]([NH2+]Cc1nc(-c2ccc(OC)cc2OC)no1)c1ccc(OC)cc1 ZINC000124239077 823580145 /nfs/dbraw/zinc/58/01/45/823580145.db2.gz CMYQUAVIEYETCD-SFHVURJKSA-N 1 1 383.448 4.003 20 0 GIADMO O=C(C[N@@H+](C1CC1)C1CCCCC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000061162756 823581576 /nfs/dbraw/zinc/58/15/76/823581576.db2.gz XNSCEMLQLXOJLH-LJQANCHMSA-N 1 1 381.476 4.347 20 0 GIADMO CC(C)C[C@H]([NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccs1 ZINC000411510570 823582623 /nfs/dbraw/zinc/58/26/23/823582623.db2.gz GJVMQSKVDBOMSH-KRWDZBQOSA-N 1 1 393.516 4.460 20 0 GIADMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000124270585 823582756 /nfs/dbraw/zinc/58/27/56/823582756.db2.gz VYXWFDXBPPMIPO-IBGZPJMESA-N 1 1 375.488 4.157 20 0 GIADMO C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C[C@@H]1c1ccccc1 ZINC000411513724 823582962 /nfs/dbraw/zinc/58/29/62/823582962.db2.gz PLSKFPBOUZAXIG-XXBNENTESA-N 1 1 384.470 4.239 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000411519698 823583936 /nfs/dbraw/zinc/58/39/36/823583936.db2.gz NNVOTWHWYKOMCG-LLVKDONJSA-N 1 1 394.493 4.105 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411524009 823584513 /nfs/dbraw/zinc/58/45/13/823584513.db2.gz JMWZFRYYXSOCFQ-KDOFPFPSSA-N 1 1 388.309 4.256 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411532695 823585342 /nfs/dbraw/zinc/58/53/42/823585342.db2.gz ZOCATLSMYQNBHO-KSSFIOAISA-N 1 1 388.309 4.256 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3cccc(F)c3)n2)ccc1F ZINC000411537943 823586169 /nfs/dbraw/zinc/58/61/69/823586169.db2.gz TURPXELEUOMXBK-ZDUSSCGKSA-N 1 1 386.402 4.003 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3ccccc3F)n2)cc1F ZINC000411539047 823586262 /nfs/dbraw/zinc/58/62/62/823586262.db2.gz VGKTXWQYAITRCP-CYBMUJFWSA-N 1 1 386.402 4.003 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)c1C ZINC000411541942 823586717 /nfs/dbraw/zinc/58/67/17/823586717.db2.gz PHFXQUOQWHSGON-NVXWUHKLSA-N 1 1 392.503 4.001 20 0 GIADMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cc2ccccc2o1 ZINC000190562640 823586836 /nfs/dbraw/zinc/58/68/36/823586836.db2.gz UTQBAKQUAFGPAH-HLIPFELVSA-N 1 1 392.503 4.099 20 0 GIADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411548580 823587238 /nfs/dbraw/zinc/58/72/38/823587238.db2.gz FJUMLCINMLSYBS-FQEVSTJZSA-N 1 1 398.938 4.235 20 0 GIADMO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411548580 823587242 /nfs/dbraw/zinc/58/72/42/823587242.db2.gz FJUMLCINMLSYBS-FQEVSTJZSA-N 1 1 398.938 4.235 20 0 GIADMO Cc1ncsc1CCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000411561193 823588163 /nfs/dbraw/zinc/58/81/63/823588163.db2.gz LMQXFNQYEFEPDO-UHFFFAOYSA-N 1 1 385.577 4.465 20 0 GIADMO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)cc(Br)c1)c1ccccn1 ZINC000411562696 823588430 /nfs/dbraw/zinc/58/84/30/823588430.db2.gz PANATCCXCAPSBK-KRWDZBQOSA-N 1 1 397.700 4.066 20 0 GIADMO Brc1ccc([C@H]([NH2+]Cc2nncn2-c2ccccc2)C2CC2)s1 ZINC000190582942 823588474 /nfs/dbraw/zinc/58/84/74/823588474.db2.gz ZBPBOQCRNQKRSZ-QGZVFWFLSA-N 1 1 389.322 4.332 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N3CCSCC3)cc2)c1 ZINC000124369475 823590877 /nfs/dbraw/zinc/59/08/77/823590877.db2.gz CTXCKSJXCKZAQC-UHFFFAOYSA-N 1 1 398.576 4.013 20 0 GIADMO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000124395601 823593164 /nfs/dbraw/zinc/59/31/64/823593164.db2.gz RTMCQFJVBSOQRQ-IBGZPJMESA-N 1 1 376.504 4.052 20 0 GIADMO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2)c1C ZINC000461185025 823594962 /nfs/dbraw/zinc/59/49/62/823594962.db2.gz IPAUFBZLIRQAFQ-UHFFFAOYSA-N 1 1 375.881 4.084 20 0 GIADMO C[C@@H]([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000411683961 823596760 /nfs/dbraw/zinc/59/67/60/823596760.db2.gz HRUOKSSJUAIYMF-IUODEOHRSA-N 1 1 397.466 4.396 20 0 GIADMO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1noc(-c2ccccc2)n1 ZINC000124473999 823599697 /nfs/dbraw/zinc/59/96/97/823599697.db2.gz YAJPYNSHTWRLOH-YWNJXLEPSA-N 1 1 388.471 4.220 20 0 GIADMO CCN1C[C@H](C)[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H](C)C1 ZINC000411722046 823600009 /nfs/dbraw/zinc/60/00/09/823600009.db2.gz PYHVDHHXOUJYSJ-OALUTQOASA-N 1 1 381.520 4.222 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000461217503 823600479 /nfs/dbraw/zinc/60/04/79/823600479.db2.gz LCZIPSYHNVTXJY-UHFFFAOYSA-N 1 1 389.862 4.036 20 0 GIADMO CC(C)N1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000124500213 823601879 /nfs/dbraw/zinc/60/18/79/823601879.db2.gz JSQKJGVGIMBMGO-UHFFFAOYSA-N 1 1 390.163 4.174 20 0 GIADMO COc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000411786856 823604718 /nfs/dbraw/zinc/60/47/18/823604718.db2.gz DPCGWBWQKHSKKR-HXUWFJFHSA-N 1 1 378.476 4.127 20 0 GIADMO CC(C)n1c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2nc1C(F)(F)F ZINC000124545205 823605081 /nfs/dbraw/zinc/60/50/81/823605081.db2.gz JUWATRUHUAKCKB-ZFWWWQNUSA-N 1 1 396.457 4.191 20 0 GIADMO CN(C(=O)c1cc2ccccc2s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124549947 823605718 /nfs/dbraw/zinc/60/57/18/823605718.db2.gz IWIXGFYFKDAZPI-UXHICEINSA-N 1 1 399.604 4.311 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)c2C(C)C)cc1 ZINC000461260079 823607069 /nfs/dbraw/zinc/60/70/69/823607069.db2.gz GMBAXTOYOROEFU-LJQANCHMSA-N 1 1 382.552 4.251 20 0 GIADMO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000124574305 823607651 /nfs/dbraw/zinc/60/76/51/823607651.db2.gz CPFHOTLFPLUEKF-IXDOHACOSA-N 1 1 387.593 4.474 20 0 GIADMO Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2CC2CCOCC2)n1 ZINC000190781412 823608060 /nfs/dbraw/zinc/60/80/60/823608060.db2.gz JEWWQXFONIHGDJ-MRXNPFEDSA-N 1 1 392.297 4.063 20 0 GIADMO C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461264128 823608547 /nfs/dbraw/zinc/60/85/47/823608547.db2.gz NKWRNHVCBXIMCX-RXVVDRJESA-N 1 1 395.547 4.177 20 0 GIADMO Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c2cc(F)ccc2n1 ZINC000124586690 823608718 /nfs/dbraw/zinc/60/87/18/823608718.db2.gz ZNCUDFRASAKWQL-UHFFFAOYSA-N 1 1 379.479 4.251 20 0 GIADMO CCCOc1ccc(Oc2ncccc2C[NH2+]Cc2cccc(OC)n2)cc1 ZINC000190788069 823609165 /nfs/dbraw/zinc/60/91/65/823609165.db2.gz MAYSHIBYTUCEGX-UHFFFAOYSA-N 1 1 379.460 4.356 20 0 GIADMO CCCCOc1ccc(-c2nnc(C[NH+]3CCC(c4ccncn4)CC3)o2)cc1 ZINC000411826333 823609151 /nfs/dbraw/zinc/60/91/51/823609151.db2.gz JKXYLSILGOIVMV-UHFFFAOYSA-N 1 1 393.491 4.085 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461271600 823610066 /nfs/dbraw/zinc/61/00/66/823610066.db2.gz MFIXKSDVZDCNQI-QGZVFWFLSA-N 1 1 375.513 4.204 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3cc(F)cc(F)c3)cc2)C1 ZINC000061735411 823610215 /nfs/dbraw/zinc/61/02/15/823610215.db2.gz WZXCJIHLEUWLHU-MRXNPFEDSA-N 1 1 387.474 4.196 20 0 GIADMO C[C@@H]1CN(Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000124621709 823612009 /nfs/dbraw/zinc/61/20/09/823612009.db2.gz WNBCIVPHVBOZCM-OYRHEFFESA-N 1 1 393.575 4.054 20 0 GIADMO CCc1c(NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cnn1CC(C)C ZINC000124631841 823612815 /nfs/dbraw/zinc/61/28/15/823612815.db2.gz AUBRUISJBFUZMA-QGZVFWFLSA-N 1 1 399.539 4.139 20 0 GIADMO COc1ccc(OCc2nc(C[NH2+][C@@H]3Cc4ccccc4[C@@H]3OC)cs2)cc1 ZINC000411888043 823613194 /nfs/dbraw/zinc/61/31/94/823613194.db2.gz DANFEAVUMCFLIT-IRLDBZIGSA-N 1 1 396.512 4.133 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC)c1 ZINC000124639871 823613331 /nfs/dbraw/zinc/61/33/31/823613331.db2.gz GGFLXUCEOPKZAZ-OTWHNJEPSA-N 1 1 398.547 4.164 20 0 GIADMO O=C(NCc1cc2ccccc2o1)Nc1ccccc1C[NH+]1CCSCC1 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COCc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000061867690 823616838 /nfs/dbraw/zinc/61/68/38/823616838.db2.gz SOTUMFSAWGGGCZ-LJQANCHMSA-N 1 1 395.547 4.207 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)C[C@@H]1C ZINC000461318697 823616910 /nfs/dbraw/zinc/61/69/10/823616910.db2.gz NUBGKTDLGZFFOS-DOTOQJQBSA-N 1 1 399.564 4.265 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC[N@H+]1C ZINC000124681692 823617005 /nfs/dbraw/zinc/61/70/05/823617005.db2.gz JWSXECJOKHABIV-XLIONFOSSA-N 1 1 393.506 4.383 20 0 GIADMO CC(C)[C@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000411982175 823617972 /nfs/dbraw/zinc/61/79/72/823617972.db2.gz CGMATIXAFBPYGV-BJKOFHAPSA-N 1 1 392.543 4.354 20 0 GIADMO CC(C)[C@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000411982175 823617973 /nfs/dbraw/zinc/61/79/73/823617973.db2.gz CGMATIXAFBPYGV-BJKOFHAPSA-N 1 1 392.543 4.354 20 0 GIADMO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411988137 823618341 /nfs/dbraw/zinc/61/83/41/823618341.db2.gz NRYVJFBHXQSWOX-PGRDOPGGSA-N 1 1 378.516 4.430 20 0 GIADMO CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411988137 823618342 /nfs/dbraw/zinc/61/83/42/823618342.db2.gz NRYVJFBHXQSWOX-PGRDOPGGSA-N 1 1 378.516 4.430 20 0 GIADMO FC(F)(F)COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cn1 ZINC000411994663 823618848 /nfs/dbraw/zinc/61/88/48/823618848.db2.gz ATYZMCFDIHJVJA-IBGZPJMESA-N 1 1 392.421 4.376 20 0 GIADMO FC(F)(F)COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cn1 ZINC000411994663 823618850 /nfs/dbraw/zinc/61/88/50/823618850.db2.gz ATYZMCFDIHJVJA-IBGZPJMESA-N 1 1 392.421 4.376 20 0 GIADMO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411992968 823618937 /nfs/dbraw/zinc/61/89/37/823618937.db2.gz XXWHFFQQMFRWEK-NZQKXSOJSA-N 1 1 392.543 4.277 20 0 GIADMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411996273 823619357 /nfs/dbraw/zinc/61/93/57/823619357.db2.gz GDYJBZWWRNVPQG-QRWLVFNGSA-N 1 1 386.442 4.146 20 0 GIADMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411996273 823619359 /nfs/dbraw/zinc/61/93/59/823619359.db2.gz GDYJBZWWRNVPQG-QRWLVFNGSA-N 1 1 386.442 4.146 20 0 GIADMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995611 823619433 /nfs/dbraw/zinc/61/94/33/823619433.db2.gz DRGFGIGGYHQHGQ-SIKLNZKXSA-N 1 1 382.548 4.235 20 0 GIADMO C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995611 823619435 /nfs/dbraw/zinc/61/94/35/823619435.db2.gz DRGFGIGGYHQHGQ-SIKLNZKXSA-N 1 1 382.548 4.235 20 0 GIADMO O=C1[C@@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000412003259 823620838 /nfs/dbraw/zinc/62/08/38/823620838.db2.gz WTHOZLBKPFTKDG-SFTDATJTSA-N 1 1 396.918 4.299 20 0 GIADMO O=C1[C@@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000412003259 823620839 /nfs/dbraw/zinc/62/08/39/823620839.db2.gz WTHOZLBKPFTKDG-SFTDATJTSA-N 1 1 396.918 4.299 20 0 GIADMO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412004977 823621415 /nfs/dbraw/zinc/62/14/15/823621415.db2.gz AFHNYNXKMLDBTN-HXUWFJFHSA-N 1 1 398.528 4.332 20 0 GIADMO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000412006069 823621528 /nfs/dbraw/zinc/62/15/28/823621528.db2.gz BGVKAOJOMQNZHY-REWPJTCUSA-N 1 1 390.527 4.002 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009278 823622023 /nfs/dbraw/zinc/62/20/23/823622023.db2.gz NLUVZMZJPLKRPX-FQEVSTJZSA-N 1 1 398.528 4.332 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000412009060 823622072 /nfs/dbraw/zinc/62/20/72/823622072.db2.gz GCNAHXREOVNSAZ-NRFANRHFSA-N 1 1 384.564 4.125 20 0 GIADMO Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412008004 823622081 /nfs/dbraw/zinc/62/20/81/823622081.db2.gz JYJJJOFNFIPGMT-VQTJNVASSA-N 1 1 381.545 4.265 20 0 GIADMO OCC1([C@H]([NH2+]Cc2csc(-c3ccoc3)n2)c2ccccc2)CCOCC1 ZINC000412010110 823622229 /nfs/dbraw/zinc/62/22/29/823622229.db2.gz KSCXAGNIEIJGCL-LJQANCHMSA-N 1 1 384.501 4.023 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2csc(-c3ncccn3)n2)c2ccccc2)CCCCC1 ZINC000412009631 823622244 /nfs/dbraw/zinc/62/22/44/823622244.db2.gz MSRALWYSRILLCS-IBGZPJMESA-N 1 1 394.544 4.374 20 0 GIADMO Cc1cc(F)c(Br)cc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000190907520 823622779 /nfs/dbraw/zinc/62/27/79/823622779.db2.gz WTSBPBDBVVCDDI-UHFFFAOYSA-N 1 1 398.320 4.379 20 0 GIADMO COC1([C@@H](C)[NH2+]Cc2csc(N(C(C)=O)c3cccc(C)c3C)n2)CCC1 ZINC000412020455 823623129 /nfs/dbraw/zinc/62/31/29/823623129.db2.gz KODSPHKDRPFUEH-MRXNPFEDSA-N 1 1 387.549 4.492 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000412054135 823624511 /nfs/dbraw/zinc/62/45/11/823624511.db2.gz HMIQXSBWKFJVEH-CQSZACIVSA-N 1 1 391.487 4.065 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000412054135 823624513 /nfs/dbraw/zinc/62/45/13/823624513.db2.gz HMIQXSBWKFJVEH-CQSZACIVSA-N 1 1 391.487 4.065 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000412056338 823624577 /nfs/dbraw/zinc/62/45/77/823624577.db2.gz ODZICHOSZCMOTE-GOSISDBHSA-N 1 1 398.469 4.341 20 0 GIADMO O=C(CCOc1ccc(Cl)cc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062230128 823625018 /nfs/dbraw/zinc/62/50/18/823625018.db2.gz XXEILSNLWKSXCF-LJQANCHMSA-N 1 1 386.923 4.137 20 0 GIADMO O=C(CSc1ccc(Cl)cc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062231431 823625284 /nfs/dbraw/zinc/62/52/84/823625284.db2.gz XPARXPIYLRWSSM-GOSISDBHSA-N 1 1 388.964 4.461 20 0 GIADMO Cc1ccc(OCCCC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062231479 823625357 /nfs/dbraw/zinc/62/53/57/823625357.db2.gz ULGUIWONOQZYKC-JOCHJYFZSA-N 1 1 380.532 4.182 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000062245074 823625875 /nfs/dbraw/zinc/62/58/75/823625875.db2.gz NKDBZHAWMIEBJH-JTQLQIEISA-N 1 1 380.926 4.096 20 0 GIADMO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412078743 823626046 /nfs/dbraw/zinc/62/60/46/823626046.db2.gz UUASAZDYAZLBSZ-JKSUJKDBSA-N 1 1 386.496 4.027 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2cncc(Br)c2)C1 ZINC000412082707 823626247 /nfs/dbraw/zinc/62/62/47/823626247.db2.gz XQBCTOMGDPAJMB-AWEZNQCLSA-N 1 1 383.330 4.178 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000412082707 823626249 /nfs/dbraw/zinc/62/62/49/823626249.db2.gz XQBCTOMGDPAJMB-AWEZNQCLSA-N 1 1 383.330 4.178 20 0 GIADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000412084219 823626253 /nfs/dbraw/zinc/62/62/53/823626253.db2.gz YOFBLCDPFSYHCP-HXUWFJFHSA-N 1 1 383.536 4.265 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412101129 823626594 /nfs/dbraw/zinc/62/65/94/823626594.db2.gz YGSLULOOXBEGHQ-WBVHZDCISA-N 1 1 380.960 4.276 20 0 GIADMO CC[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCSc2ccc(Br)cc21 ZINC000461382143 823626859 /nfs/dbraw/zinc/62/68/59/823626859.db2.gz AHGCBQOAWUTAQF-WCQYABFASA-N 1 1 384.261 4.231 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2scc(C)c2Br)CC1 ZINC000190940449 823627592 /nfs/dbraw/zinc/62/75/92/823627592.db2.gz XEDPTVHVDOGPGU-UHFFFAOYSA-N 1 1 387.387 4.403 20 0 GIADMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(C(F)F)cc3)CC2)c1 ZINC000461391926 823628476 /nfs/dbraw/zinc/62/84/76/823628476.db2.gz UXSALXCLRKLTPD-UHFFFAOYSA-N 1 1 376.447 4.354 20 0 GIADMO COc1ccccc1CC[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000461396241 823629163 /nfs/dbraw/zinc/62/91/63/823629163.db2.gz KPVWPNHGWWBULU-UHFFFAOYSA-N 1 1 383.517 4.360 20 0 GIADMO COc1ccccc1CC[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000461396241 823629164 /nfs/dbraw/zinc/62/91/64/823629164.db2.gz KPVWPNHGWWBULU-UHFFFAOYSA-N 1 1 383.517 4.360 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412146231 823630104 /nfs/dbraw/zinc/63/01/04/823630104.db2.gz FHRRNFWEWYGQGG-RDPSFJRHSA-N 1 1 392.543 4.256 20 0 GIADMO O=C([C@@H]1SCCc2sccc21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461422035 823633230 /nfs/dbraw/zinc/63/32/30/823633230.db2.gz IGHDVJQTKKKYRJ-WAOWUJCRSA-N 1 1 398.597 4.059 20 0 GIADMO CCc1ccc(CCC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000461423434 823633437 /nfs/dbraw/zinc/63/34/37/823633437.db2.gz AKFTXPWUNQSIPV-DNQXCXABSA-N 1 1 376.544 4.162 20 0 GIADMO CCc1ccc(CCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461423436 823633449 /nfs/dbraw/zinc/63/34/49/823633449.db2.gz AKFTXPWUNQSIPV-ZEQRLZLVSA-N 1 1 376.544 4.162 20 0 GIADMO O=C(C[C@@H]1CCc2ccccc2C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461423387 823633457 /nfs/dbraw/zinc/63/34/57/823633457.db2.gz ABZQYWYBSXNFIA-ZODMCCGTSA-N 1 1 388.555 4.162 20 0 GIADMO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461425179 823633801 /nfs/dbraw/zinc/63/38/01/823633801.db2.gz CMQRUAMFAIEPEW-WOJBJXKFSA-N 1 1 380.507 4.084 20 0 GIADMO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461425452 823633953 /nfs/dbraw/zinc/63/39/53/823633953.db2.gz JCCDRVZKHGLUMG-FYQPLNBISA-N 1 1 394.481 4.336 20 0 GIADMO O=C(C1CCC(C(F)(F)F)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461427774 823634729 /nfs/dbraw/zinc/63/47/29/823634729.db2.gz HNBAXJMLZKCXBH-NUVZVAJJSA-N 1 1 394.481 4.336 20 0 GIADMO CCOc1cc(Cl)ccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461427563 823634769 /nfs/dbraw/zinc/63/47/69/823634769.db2.gz KYXWXETXTMFFCI-MOPGFXCFSA-N 1 1 398.934 4.333 20 0 GIADMO COCCN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccc2OC)cn1 ZINC000190986131 823634837 /nfs/dbraw/zinc/63/48/37/823634837.db2.gz NDQIMLOWZAOZIQ-DEOSSOPVSA-N 1 1 391.515 4.052 20 0 GIADMO CSc1cccc(F)c1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461428851 823634936 /nfs/dbraw/zinc/63/49/36/823634936.db2.gz NUQAANVORNNVJS-ZWKOTPCHSA-N 1 1 384.520 4.142 20 0 GIADMO CC(C)(C)c1ncsc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461430407 823635338 /nfs/dbraw/zinc/63/53/38/823635338.db2.gz QDWHUIIMKQBZCY-ROUUACIJSA-N 1 1 383.561 4.035 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000412202618 823635418 /nfs/dbraw/zinc/63/54/18/823635418.db2.gz FFCQLBXLQXSICK-VGSGFSFPSA-N 1 1 392.543 4.216 20 0 GIADMO CCSc1cccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461431133 823635487 /nfs/dbraw/zinc/63/54/87/823635487.db2.gz QTTIWKRRZMRFJC-RTWAWAEBSA-N 1 1 380.557 4.393 20 0 GIADMO C[N@@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)C1(CO)CCOCC1 ZINC000190990883 823635638 /nfs/dbraw/zinc/63/56/38/823635638.db2.gz FPSKNBQKSXRRGC-UHFFFAOYSA-N 1 1 389.486 4.350 20 0 GIADMO O=C(CCSc1ccc(F)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461432608 823635901 /nfs/dbraw/zinc/63/59/01/823635901.db2.gz OMXVHKBVWDMEML-UXHICEINSA-N 1 1 398.547 4.288 20 0 GIADMO CC(C)N(C)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000190994572 823636164 /nfs/dbraw/zinc/63/61/64/823636164.db2.gz WJCOAAVXYSZSJF-NOTZXAQLSA-N 1 1 378.564 4.211 20 0 GIADMO O=C(c1cccc2ccsc21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461433232 823636300 /nfs/dbraw/zinc/63/63/00/823636300.db2.gz WHDAYLCBVIASKG-VQTJNVASSA-N 1 1 376.525 4.495 20 0 GIADMO CN(C)c1nccc(C[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)n1 ZINC000461436874 823637113 /nfs/dbraw/zinc/63/71/13/823637113.db2.gz QZGKWZHAGIKGJU-UHFFFAOYSA-N 1 1 386.858 4.417 20 0 GIADMO O=C(Cc1ccc(Cl)c(F)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436657 823637232 /nfs/dbraw/zinc/63/72/32/823637232.db2.gz PVGJLIMTXZVFNU-RTBURBONSA-N 1 1 386.898 4.002 20 0 GIADMO O=C(c1ccc(OC2CCC2)cc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461438339 823637533 /nfs/dbraw/zinc/63/75/33/823637533.db2.gz LEYICNZPFUTKKZ-FGZHOGPDSA-N 1 1 390.527 4.212 20 0 GIADMO O=C(c1coc2cc(F)ccc12)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461439373 823637642 /nfs/dbraw/zinc/63/76/42/823637642.db2.gz QZRLYNCJGKRPMP-ROUUACIJSA-N 1 1 378.447 4.166 20 0 GIADMO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)c1 ZINC000124928920 823637882 /nfs/dbraw/zinc/63/78/82/823637882.db2.gz YBUAYPDTJYJKFF-GFCCVEGCSA-N 1 1 399.293 4.498 20 0 GIADMO O=C(Cc1c(F)cccc1Cl)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461440702 823638086 /nfs/dbraw/zinc/63/80/86/823638086.db2.gz CRTNRFDJBMGRGU-QZTJIDSGSA-N 1 1 386.898 4.002 20 0 GIADMO O=C(c1cc2c(s1)CCCC2)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461441272 823638306 /nfs/dbraw/zinc/63/83/06/823638306.db2.gz FMFPGJSWKREBPF-UXHICEINSA-N 1 1 380.557 4.221 20 0 GIADMO Cc1ccccc1OCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461441774 823638327 /nfs/dbraw/zinc/63/83/27/823638327.db2.gz GJODUDYJCUCBPK-DHIUTWEWSA-N 1 1 392.543 4.135 20 0 GIADMO O=C(c1cc2c(s1)CCCC2)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461441274 823638343 /nfs/dbraw/zinc/63/83/43/823638343.db2.gz FMFPGJSWKREBPF-WOJBJXKFSA-N 1 1 380.557 4.221 20 0 GIADMO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2cccc(F)c2)CCC1 ZINC000461442248 823638505 /nfs/dbraw/zinc/63/85/05/823638505.db2.gz FGUYRXYWIVSFCV-LEWJYISDSA-N 1 1 392.518 4.228 20 0 GIADMO O=C([C@@H]1C[C@]1(F)c1ccccc1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000412236424 823638532 /nfs/dbraw/zinc/63/85/32/823638532.db2.gz SXGMKKQONDLZAT-DHLKQENFSA-N 1 1 392.518 4.386 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)ccc1OC(=O)C1CC1 ZINC000124936009 823638555 /nfs/dbraw/zinc/63/85/55/823638555.db2.gz JVVUBORCHCTSBS-CYBMUJFWSA-N 1 1 375.415 4.482 20 0 GIADMO O=C(c1coc(C2CCCCC2)n1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443123 823638628 /nfs/dbraw/zinc/63/86/28/823638628.db2.gz ILQOTTMJMXLNPP-LEWJYISDSA-N 1 1 393.531 4.316 20 0 GIADMO COCC(C)(C)CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000412238783 823638677 /nfs/dbraw/zinc/63/86/77/823638677.db2.gz AYTSOJSGKBHRAP-UHFFFAOYSA-N 1 1 387.351 4.137 20 0 GIADMO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1c(F)cccc1F ZINC000461444520 823638855 /nfs/dbraw/zinc/63/88/55/823638855.db2.gz IYLINSRBPYHHKJ-QXAKKESOSA-N 1 1 384.470 4.049 20 0 GIADMO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c2ccccc2n1 ZINC000461444545 823639110 /nfs/dbraw/zinc/63/91/10/823639110.db2.gz KZZWHHHSKQOGHQ-SFTDATJTSA-N 1 1 385.511 4.137 20 0 GIADMO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461445766 823639312 /nfs/dbraw/zinc/63/93/12/823639312.db2.gz IHGSGWFVIWXMRR-RTWAWAEBSA-N 1 1 387.527 4.379 20 0 GIADMO Cc1ccc2[nH]c(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cc2c1C ZINC000461446748 823639386 /nfs/dbraw/zinc/63/93/86/823639386.db2.gz NLNZXPAKUXRPOC-RTWAWAEBSA-N 1 1 387.527 4.379 20 0 GIADMO C[C@]1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCc2ccccc2C1 ZINC000461446708 823639403 /nfs/dbraw/zinc/63/94/03/823639403.db2.gz DXQWVXUARZUFLH-GSLIJJQTSA-N 1 1 388.555 4.162 20 0 GIADMO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461447071 823639417 /nfs/dbraw/zinc/63/94/17/823639417.db2.gz DXTRTDWWYWKJST-OHUMZHCVSA-N 1 1 394.946 4.424 20 0 GIADMO C[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(F)c1 ZINC000461447974 823639611 /nfs/dbraw/zinc/63/96/11/823639611.db2.gz NFWACJXGYLLTGK-BVYCBKJFSA-N 1 1 380.507 4.300 20 0 GIADMO O=C(c1ccc(-n2cccc2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448395 823639796 /nfs/dbraw/zinc/63/97/96/823639796.db2.gz UXFDPJVOFCOEDR-XZOQPEGZSA-N 1 1 385.511 4.071 20 0 GIADMO CC(C)C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000191031101 823640004 /nfs/dbraw/zinc/64/00/04/823640004.db2.gz ZFKVADQYJXEODL-ZDUSSCGKSA-N 1 1 395.351 4.131 20 0 GIADMO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461453268 823640743 /nfs/dbraw/zinc/64/07/43/823640743.db2.gz ZKPAISRMJCCWGR-OALUTQOASA-N 1 1 393.918 4.415 20 0 GIADMO Cc1ccc(CCCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461453515 823640893 /nfs/dbraw/zinc/64/08/93/823640893.db2.gz YNUOTARDRKVQQZ-ZEQRLZLVSA-N 1 1 376.544 4.298 20 0 GIADMO Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(F)c1Cl ZINC000461455601 823641315 /nfs/dbraw/zinc/64/13/15/823641315.db2.gz LSUBKSFGSVNYJH-ROUUACIJSA-N 1 1 386.898 4.382 20 0 GIADMO Cc1c2cc(F)ccc2oc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461456283 823641465 /nfs/dbraw/zinc/64/14/65/823641465.db2.gz NXQHHMVVKPZGGH-OALUTQOASA-N 1 1 392.474 4.474 20 0 GIADMO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458469 823641822 /nfs/dbraw/zinc/64/18/22/823641822.db2.gz UIXYWWBLFQWYPH-NCYKPQTJSA-N 1 1 380.557 4.141 20 0 GIADMO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461458467 823641848 /nfs/dbraw/zinc/64/18/48/823641848.db2.gz UIXYWWBLFQWYPH-BURNTYAHSA-N 1 1 380.557 4.141 20 0 GIADMO CCCCn1ncc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1CC ZINC000461467146 823643200 /nfs/dbraw/zinc/64/32/00/823643200.db2.gz MKHWSXCTTXWCOA-OAQYLSRUSA-N 1 1 396.579 4.278 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461467926 823643227 /nfs/dbraw/zinc/64/32/27/823643227.db2.gz WQYVCNRRCCYZJK-FQEVSTJZSA-N 1 1 383.536 4.214 20 0 GIADMO CCc1c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]c(C)c1C(C)=O ZINC000461471648 823643690 /nfs/dbraw/zinc/64/36/90/823643690.db2.gz FWGGHFAVKLBNFY-FQEVSTJZSA-N 1 1 395.547 4.120 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)C[C@@H]1C ZINC000461478193 823644855 /nfs/dbraw/zinc/64/48/55/823644855.db2.gz IBDJBUVTYUSDKB-HKUYNNGSSA-N 1 1 395.576 4.364 20 0 GIADMO Cc1ccc(-c2nnc(N(C)[C@@H]3CC[N@H+](C4CC4)C3)n2Cc2cccs2)s1 ZINC000461503192 823649888 /nfs/dbraw/zinc/64/98/88/823649888.db2.gz PHZVQFMJSPPZLD-MRXNPFEDSA-N 1 1 399.589 4.098 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc4noc(-c5ccc(F)cc5)c4c3)CC[C@@H]21 ZINC000125073138 823649911 /nfs/dbraw/zinc/64/99/11/823649911.db2.gz DOVAETKVCCRPHO-UWJYYQICSA-N 1 1 393.462 4.190 20 0 GIADMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC([C@H]2CCCO2)CC1 ZINC000191132837 823652622 /nfs/dbraw/zinc/65/26/22/823652622.db2.gz MNAIHMLVVLYEBJ-XMMPIXPASA-N 1 1 392.543 4.106 20 0 GIADMO CSCC[C@H]([NH2+][C@H](C)c1cnn(C(C)(C)C)c1C)c1nnc2ccccn21 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20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125212269 823659524 /nfs/dbraw/zinc/65/95/24/823659524.db2.gz VIHNPORMBWNOHF-KRWDZBQOSA-N 1 1 391.556 4.292 20 0 GIADMO CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(Cl)s1 ZINC000063285729 823659843 /nfs/dbraw/zinc/65/98/43/823659843.db2.gz XAUKQWUVEUCMSM-UHFFFAOYSA-N 1 1 387.954 4.096 20 0 GIADMO CC[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(Cl)s1 ZINC000063285729 823659844 /nfs/dbraw/zinc/65/98/44/823659844.db2.gz XAUKQWUVEUCMSM-UHFFFAOYSA-N 1 1 387.954 4.096 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(Sc3ccccc3)cc2)CC[N@H+]1C ZINC000125235416 823661026 /nfs/dbraw/zinc/66/10/26/823661026.db2.gz SEQMERSUASSXEF-HKUYNNGSSA-N 1 1 383.561 4.462 20 0 GIADMO Cc1csc2nc(C[N@H+](CCC(F)(F)F)Cc3ccccc3)cc(=O)n12 ZINC000191243595 823662828 /nfs/dbraw/zinc/66/28/28/823662828.db2.gz LPXGJLJSIGMVKR-UHFFFAOYSA-N 1 1 381.423 4.019 20 0 GIADMO Cc1csc2nc(C[N@@H+](CCC(F)(F)F)Cc3ccccc3)cc(=O)n12 ZINC000191243595 823662833 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Cc1nc(COc2ccc(C[NH2+][C@H](c3ccco3)c3ccccc3)cc2)no1 ZINC000063509163 823677065 /nfs/dbraw/zinc/67/70/65/823677065.db2.gz UUHLLRKENPMACR-QFIPXVFZSA-N 1 1 375.428 4.429 20 0 GIADMO COc1ccccc1NC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000125469408 823678856 /nfs/dbraw/zinc/67/88/56/823678856.db2.gz HJBDZJBYMDUPKN-UHFFFAOYSA-N 1 1 380.517 4.290 20 0 GIADMO Cc1[nH+]ccn1CCCCN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000125507986 823681561 /nfs/dbraw/zinc/68/15/61/823681561.db2.gz CMJVLIINBGPWMJ-SFHVURJKSA-N 1 1 386.298 4.491 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000125538260 823683531 /nfs/dbraw/zinc/68/35/31/823683531.db2.gz LPKKLCADOPSUGK-NRFANRHFSA-N 1 1 394.519 4.211 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cc1F ZINC000063619454 823683582 /nfs/dbraw/zinc/68/35/82/823683582.db2.gz RXLIQEMQUUWGEQ-NRFANRHFSA-N 1 1 384.495 4.247 20 0 GIADMO Fc1cccc(Cl)c1CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000125546143 823684092 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CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000461729961 823688564 /nfs/dbraw/zinc/68/85/64/823688564.db2.gz JNSQSSARMZEYGX-FQEVSTJZSA-N 1 1 395.975 4.181 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000191482450 823689838 /nfs/dbraw/zinc/68/98/38/823689838.db2.gz BNXGPSHFNOMBJX-UHFFFAOYSA-N 1 1 383.323 4.103 20 0 GIADMO Clc1ccc(CN2CCC([NH2+][C@@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000125615866 823690244 /nfs/dbraw/zinc/69/02/44/823690244.db2.gz ZJLQYOGUQCYKGZ-OAQYLSRUSA-N 1 1 380.923 4.407 20 0 GIADMO C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(-c2ccccc2)cc1 ZINC000461748456 823691267 /nfs/dbraw/zinc/69/12/67/823691267.db2.gz UHJDVNFXFQFYOW-KRWDZBQOSA-N 1 1 375.472 4.428 20 0 GIADMO Cc1nc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)nc2ccccc12 ZINC000125628366 823691302 /nfs/dbraw/zinc/69/13/02/823691302.db2.gz MKIQJVIYQLFCOX-UHFFFAOYSA-N 1 1 375.398 4.060 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000063724811 823691916 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COc1sc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)cc1Br ZINC000191510196 823693613 /nfs/dbraw/zinc/69/36/13/823693613.db2.gz PBZHNTIKBWNQLL-UHFFFAOYSA-N 1 1 398.322 4.398 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCc2ccc(-c3ccccc3)[nH]2)C1 ZINC000063758809 823693992 /nfs/dbraw/zinc/69/39/92/823693992.db2.gz JAMSSVGTRSVMJV-BGYRXZFFSA-N 1 1 381.564 4.489 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000063771810 823694750 /nfs/dbraw/zinc/69/47/50/823694750.db2.gz XVKRIKXGQRPXSV-UHFFFAOYSA-N 1 1 389.540 4.370 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000191519570 823694770 /nfs/dbraw/zinc/69/47/70/823694770.db2.gz LWCAPVXFMZLHSG-MRXNPFEDSA-N 1 1 376.932 4.147 20 0 GIADMO O=C(c1cc2sc(Nc3ccccc3)nc2s1)N1CC[NH+](CC2CC2)CC1 ZINC000063779401 823695353 /nfs/dbraw/zinc/69/53/53/823695353.db2.gz JRIKGCGIPNUGQM-UHFFFAOYSA-N 1 1 398.557 4.269 20 0 GIADMO CC(C)(CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)C1CC1 ZINC000412973767 823695779 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COc1ccc(Cc2nnc(SC[C@@H]3CCCC[N@H+]3C(C)C)o2)cc1OC ZINC000412990856 823698524 /nfs/dbraw/zinc/69/85/24/823698524.db2.gz HAXYUNWSIRHPMW-INIZCTEOSA-N 1 1 391.537 4.033 20 0 GIADMO Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C ZINC000063816461 823699266 /nfs/dbraw/zinc/69/92/66/823699266.db2.gz ZYUYTHZWXKWNHS-XMMPIXPASA-N 1 1 391.559 4.028 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC000063822333 823699595 /nfs/dbraw/zinc/69/95/95/823699595.db2.gz MWVPOOHOMKLHHT-GOSISDBHSA-N 1 1 392.971 4.017 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+](Cc3nc4ccccc4s3)CC2)n1 ZINC000191565452 823700636 /nfs/dbraw/zinc/70/06/36/823700636.db2.gz QUMLTTKBWLJLCT-UHFFFAOYSA-N 1 1 387.530 4.309 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000063836613 823700650 /nfs/dbraw/zinc/70/06/50/823700650.db2.gz AHQRVYAVVWDKKO-SFHVURJKSA-N 1 1 389.499 4.469 20 0 GIADMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@H](CO)c1cccc(Br)c1 ZINC000125730903 823701274 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ZINC000163956429 823765491 /nfs/dbraw/zinc/76/54/91/823765491.db2.gz DAEUWCREBGPWLL-IBGZPJMESA-N 1 1 398.547 4.036 20 0 GIADMO COc1c(C)cnc(CN2CCC([N@@H+](C)C/C=C/c3ccccc3)CC2)c1C ZINC000574558531 823765659 /nfs/dbraw/zinc/76/56/59/823765659.db2.gz LBLLDVAJBRXTQN-DHZHZOJOSA-N 1 1 379.548 4.317 20 0 GIADMO COc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCCCC2)cc1NC(C)=O ZINC000164023180 823771124 /nfs/dbraw/zinc/77/11/24/823771124.db2.gz URKKCHHAKJUFHO-GOSISDBHSA-N 1 1 395.547 4.490 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413417777 823773048 /nfs/dbraw/zinc/77/30/48/823773048.db2.gz QERQNVFTFPCZTM-UWIFEVILSA-N 1 1 385.886 4.052 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H](C)c2cc(F)ccc2F)c1 ZINC000064229468 823775939 /nfs/dbraw/zinc/77/59/39/823775939.db2.gz XPHDDUKYCJOCSZ-OAHLLOKOSA-N 1 1 375.463 4.319 20 0 GIADMO O=C(c1cnc(Cc2ccccc2)s1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000126080345 823782170 /nfs/dbraw/zinc/78/21/70/823782170.db2.gz 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382.335 4.180 20 0 GIADMO COC(=O)C[C@](C)([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 ZINC000191904371 823808800 /nfs/dbraw/zinc/80/88/00/823808800.db2.gz VAAAXZMMRASQER-KRWDZBQOSA-N 1 1 386.801 4.322 20 0 GIADMO C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1)CN1CCN(C)CC1 ZINC000574728368 823811808 /nfs/dbraw/zinc/81/18/08/823811808.db2.gz NJKRREFLVOQBOG-ROUUACIJSA-N 1 1 387.518 4.166 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)NCCNc3cccc(C)[nH+]3)cc2)cs1 ZINC000126213226 823813312 /nfs/dbraw/zinc/81/33/12/823813312.db2.gz PHQFPNZEVIQPJH-UHFFFAOYSA-N 1 1 398.557 4.289 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@H](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000126220805 823815112 /nfs/dbraw/zinc/81/51/12/823815112.db2.gz ATCSOUZZLLYREV-ZRCGQRJVSA-N 1 1 392.543 4.001 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@H](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000126220805 823815120 /nfs/dbraw/zinc/81/51/20/823815120.db2.gz ATCSOUZZLLYREV-ZRCGQRJVSA-N 1 1 392.543 4.001 20 0 GIADMO CC[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000413723979 823825915 /nfs/dbraw/zinc/82/59/15/823825915.db2.gz CBOONTUDMGTZFY-QXAKKESOSA-N 1 1 397.485 4.129 20 0 GIADMO O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cc(C[NH+]2CCCC2)on1 ZINC000462110587 823830552 /nfs/dbraw/zinc/83/05/52/823830552.db2.gz FQBSSWUEMPQFBS-GOSISDBHSA-N 1 1 381.501 4.046 20 0 GIADMO Cc1csc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1Br ZINC000191986269 823831362 /nfs/dbraw/zinc/83/13/62/823831362.db2.gz JUAJOJMOSCWEEJ-CYBMUJFWSA-N 1 1 397.338 4.369 20 0 GIADMO CC(C)CCc1noc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000064507996 823832361 /nfs/dbraw/zinc/83/23/61/823832361.db2.gz VKXUDRZVVFHGGU-UHFFFAOYSA-N 1 1 376.932 4.020 20 0 GIADMO CC(C)CCc1noc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000064507996 823832371 /nfs/dbraw/zinc/83/23/71/823832371.db2.gz VKXUDRZVVFHGGU-UHFFFAOYSA-N 1 1 376.932 4.020 20 0 GIADMO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C ZINC000064517625 823834055 /nfs/dbraw/zinc/83/40/55/823834055.db2.gz HOFLEAWBVRPDKM-QHCPKHFHSA-N 1 1 379.548 4.165 20 0 GIADMO Cc1ccc(C)c(OCCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064522301 823836096 /nfs/dbraw/zinc/83/60/96/823836096.db2.gz OHGPKIQHCRKIEC-IBGZPJMESA-N 1 1 386.561 4.162 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)cc3)n2)cc1F ZINC000192029951 823837221 /nfs/dbraw/zinc/83/72/21/823837221.db2.gz YKFFQJVXHQIGNU-FUHWJXTLSA-N 1 1 391.805 4.288 20 0 GIADMO COc1cccc(COc2cccc(NC(=O)NC[C@@H]3CCC[N@@H+](C)C3)c2C)c1 ZINC000165168503 823837460 /nfs/dbraw/zinc/83/74/60/823837460.db2.gz VHVLDQCJBMIJJV-IBGZPJMESA-N 1 1 397.519 4.046 20 0 GIADMO C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462136490 823840957 /nfs/dbraw/zinc/84/09/57/823840957.db2.gz CNDGFSYVVQLQCA-IPYPFGDCSA-N 1 1 385.321 4.023 20 0 GIADMO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)o1 ZINC000165238715 823841109 /nfs/dbraw/zinc/84/11/09/823841109.db2.gz CGZLJEPAPPBXRC-JXFKEZNVSA-N 1 1 383.492 4.193 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCc2sc(Cl)cc21 ZINC000574848353 823841882 /nfs/dbraw/zinc/84/18/82/823841882.db2.gz MAPWNNNYLXBCEN-RDJZCZTQSA-N 1 1 389.952 4.210 20 0 GIADMO O=C(N[C@H](Cc1ccccc1)c1ccccc1F)c1cc(C[NH+]2CCCC2)on1 ZINC000462143105 823843409 /nfs/dbraw/zinc/84/34/09/823843409.db2.gz XARJLWRSFJQGTQ-OAQYLSRUSA-N 1 1 393.462 4.123 20 0 GIADMO Cc1ccc([C@@H](CNS(=O)(=O)c2ccccc2C(C)(C)C)[NH+]2CCCC2)o1 ZINC000462155550 823847305 /nfs/dbraw/zinc/84/73/05/823847305.db2.gz JRKQNPKFBUXFJX-GOSISDBHSA-N 1 1 390.549 4.001 20 0 GIADMO Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000165412458 823848318 /nfs/dbraw/zinc/84/83/18/823848318.db2.gz GACUIOLQKNQHTD-FQEVSTJZSA-N 1 1 375.516 4.379 20 0 GIADMO Cc1c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1-c1ccccn1 ZINC000462160502 823849108 /nfs/dbraw/zinc/84/91/08/823849108.db2.gz UYBOWMGCAZEVEL-KOSHJBKYSA-N 1 1 385.511 4.307 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](Cc1ccccn1)C(C)C ZINC000165445666 823849270 /nfs/dbraw/zinc/84/92/70/823849270.db2.gz MWXQKNDDMKQDBS-UHFFFAOYSA-N 1 1 391.519 4.123 20 0 GIADMO COc1nc2ccccc2cc1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000574877214 823849276 /nfs/dbraw/zinc/84/92/76/823849276.db2.gz LDERYHVDKINZPO-GOSISDBHSA-N 1 1 390.405 4.476 20 0 GIADMO Cc1noc(C)c1CC[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000165532943 823852282 /nfs/dbraw/zinc/85/22/82/823852282.db2.gz QBNMOPPLNBACPT-HXUWFJFHSA-N 1 1 382.504 4.137 20 0 GIADMO C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462171676 823852932 /nfs/dbraw/zinc/85/29/32/823852932.db2.gz PUZFZCOTJRTIGS-GFCCVEGCSA-N 1 1 394.302 4.337 20 0 GIADMO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000192079807 823853086 /nfs/dbraw/zinc/85/30/86/823853086.db2.gz JECYJVHHRBNWKV-QGZVFWFLSA-N 1 1 394.581 4.185 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000574890813 823853298 /nfs/dbraw/zinc/85/32/98/823853298.db2.gz WOQHXJQBCFXKBM-GHTZIAJQSA-N 1 1 382.552 4.195 20 0 GIADMO CCOc1c(OC)cc(C[NH2+]Cc2ccc(Br)cc2F)cc1OC ZINC000064616395 823853775 /nfs/dbraw/zinc/85/37/75/823853775.db2.gz NOWNLJOKLHQLTK-UHFFFAOYSA-N 1 1 398.272 4.294 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000192086455 823855513 /nfs/dbraw/zinc/85/55/13/823855513.db2.gz GXUPBCHWTYJGHX-SJLPKXTDSA-N 1 1 391.805 4.288 20 0 GIADMO Cc1csc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1Br ZINC000192090432 823856707 /nfs/dbraw/zinc/85/67/07/823856707.db2.gz MVHBGNCVKZILNE-STQMWFEESA-N 1 1 385.371 4.202 20 0 GIADMO Cc1ccccc1C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644049 823856711 /nfs/dbraw/zinc/85/67/11/823856711.db2.gz CZQWCAZUNQRMEP-MOPGFXCFSA-N 1 1 385.577 4.199 20 0 GIADMO CCc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000064644052 823856778 /nfs/dbraw/zinc/85/67/78/823856778.db2.gz GJSSEOMPFPAGCD-OAHLLOKOSA-N 1 1 377.579 4.083 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000462182469 823858275 /nfs/dbraw/zinc/85/82/75/823858275.db2.gz OVBRSFJGFDNLRY-WZONZLPQSA-N 1 1 375.516 4.127 20 0 GIADMO CSc1cccc(-c2noc([C@@H]3C[N@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)n1 ZINC000574907847 823858468 /nfs/dbraw/zinc/85/84/68/823858468.db2.gz RRCFHVFGIAUBBN-GHMZBOCLSA-N 1 1 386.443 4.230 20 0 GIADMO Cc1nc2ccc(C(=O)N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2s1 ZINC000574908119 823858651 /nfs/dbraw/zinc/85/86/51/823858651.db2.gz QCIWLLMWCZIUFP-QHCPKHFHSA-N 1 1 391.540 4.343 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1OCC(=O)N(C)C ZINC000165695091 823859343 /nfs/dbraw/zinc/85/93/43/823859343.db2.gz RVQHIOVOYYXXHL-KBXCAEBGSA-N 1 1 376.447 4.234 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462186135 823859597 /nfs/dbraw/zinc/85/95/97/823859597.db2.gz FRJBITZBKZFBDR-CABCVRRESA-N 1 1 399.348 4.176 20 0 GIADMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000574910532 823859763 /nfs/dbraw/zinc/85/97/63/823859763.db2.gz PCINQRCURIPKNS-JLTOFOAXSA-N 1 1 391.899 4.362 20 0 GIADMO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000574929218 823862296 /nfs/dbraw/zinc/86/22/96/823862296.db2.gz USZFPGSFVQDDCS-PVERMEFCSA-N 1 1 376.544 4.379 20 0 GIADMO Clc1cc2c(c(C[N@@H+](Cc3ccc(-n4cncn4)cc3)C3CC3)c1)OCC2 ZINC000574929193 823862439 /nfs/dbraw/zinc/86/24/39/823862439.db2.gz UDYPQASVWQRCCH-UHFFFAOYSA-N 1 1 380.879 4.020 20 0 GIADMO CCc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)n2)cc1 ZINC000192110968 823863506 /nfs/dbraw/zinc/86/35/06/823863506.db2.gz XKEPZRMDPNHVST-AZUAARDMSA-N 1 1 385.414 4.197 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)c2ccccc2C1 ZINC000165806299 823863614 /nfs/dbraw/zinc/86/36/14/823863614.db2.gz POUDKHHWRUUCBN-UHFFFAOYSA-N 1 1 377.875 4.494 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)c2ccccc2C1 ZINC000165806299 823863622 /nfs/dbraw/zinc/86/36/22/823863622.db2.gz POUDKHHWRUUCBN-UHFFFAOYSA-N 1 1 377.875 4.494 20 0 GIADMO CC[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413905907 823864082 /nfs/dbraw/zinc/86/40/82/823864082.db2.gz JRDUYZYPKKAIAX-FUHWJXTLSA-N 1 1 385.474 4.129 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C(F)(F)F)c1 ZINC000166081938 823869565 /nfs/dbraw/zinc/86/95/65/823869565.db2.gz PTGNKWQQUGIKMY-SUMWQHHRSA-N 1 1 385.430 4.052 20 0 GIADMO COCCOc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000064720320 823871250 /nfs/dbraw/zinc/87/12/50/823871250.db2.gz AXUIDZKAVGHEKD-LJQANCHMSA-N 1 1 396.531 4.016 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2ccccc2O1 ZINC000574959706 823871839 /nfs/dbraw/zinc/87/18/39/823871839.db2.gz PQUNNGDVXUQOGF-PZPFTHLGSA-N 1 1 399.560 4.343 20 0 GIADMO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574960835 823872342 /nfs/dbraw/zinc/87/23/42/823872342.db2.gz CVNKMVMRBSQSST-KBXCAEBGSA-N 1 1 396.350 4.053 20 0 GIADMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574960835 823872344 /nfs/dbraw/zinc/87/23/44/823872344.db2.gz CVNKMVMRBSQSST-KBXCAEBGSA-N 1 1 396.350 4.053 20 0 GIADMO CCCCOc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OC ZINC000064725905 823872470 /nfs/dbraw/zinc/87/24/70/823872470.db2.gz VQVIZNUFPYWGAS-WSTZPKSXSA-N 1 1 388.552 4.352 20 0 GIADMO CCOc1c(Cl)cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OC ZINC000064725696 823872538 /nfs/dbraw/zinc/87/25/38/823872538.db2.gz ZJINOEYMFGNTLH-UXLLHSPISA-N 1 1 394.943 4.225 20 0 GIADMO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310847 823875051 /nfs/dbraw/zinc/87/50/51/823875051.db2.gz YBILSCQURIRSKR-GRYCIOLGSA-N 1 1 376.394 4.165 20 0 GIADMO C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310847 823875057 /nfs/dbraw/zinc/87/50/57/823875057.db2.gz YBILSCQURIRSKR-GRYCIOLGSA-N 1 1 376.394 4.165 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1C1CC1 ZINC000126468791 823876468 /nfs/dbraw/zinc/87/64/68/823876468.db2.gz STBWCFPAFUBELU-UYAOXDASSA-N 1 1 394.563 4.026 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1C(=O)c1cc(C)ccc1C ZINC000064736960 823876523 /nfs/dbraw/zinc/87/65/23/823876523.db2.gz AZDGAOHLINTPAG-KRWDZBQOSA-N 1 1 389.499 4.105 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(F)(F)c2ccccc2)C1 ZINC000462221385 823878954 /nfs/dbraw/zinc/87/89/54/823878954.db2.gz CMMYENFCUAXGJS-MSOLQXFVSA-N 1 1 379.495 4.074 20 0 GIADMO Cc1c(Cl)c(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)nn1C ZINC000574980471 823879189 /nfs/dbraw/zinc/87/91/89/823879189.db2.gz MSYJVYZNJDCZQT-UHFFFAOYSA-N 1 1 388.943 4.076 20 0 GIADMO CC[C@@H]([NH2+]Cc1cc(OC)ccc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000192151205 823881407 /nfs/dbraw/zinc/88/14/07/823881407.db2.gz IDSGHLGFSBCMLA-LJQANCHMSA-N 1 1 390.911 4.057 20 0 GIADMO CN1C(=O)C[C@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000192151817 823881888 /nfs/dbraw/zinc/88/18/88/823881888.db2.gz HVLQVJFZQXGVBK-MAUKXSAKSA-N 1 1 387.892 4.118 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000574997340 823882656 /nfs/dbraw/zinc/88/26/56/823882656.db2.gz RNKHRWMLAQGRGZ-MRXNPFEDSA-N 1 1 383.517 4.477 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000574997340 823882662 /nfs/dbraw/zinc/88/26/62/823882662.db2.gz RNKHRWMLAQGRGZ-MRXNPFEDSA-N 1 1 383.517 4.477 20 0 GIADMO COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000064791998 823887094 /nfs/dbraw/zinc/88/70/94/823887094.db2.gz LSARVZCQBLNYDC-DEOSSOPVSA-N 1 1 388.511 4.440 20 0 GIADMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000575015342 823888063 /nfs/dbraw/zinc/88/80/63/823888063.db2.gz UUMCPPMOQMPSCB-MRXNPFEDSA-N 1 1 395.425 4.307 20 0 GIADMO CCC(CC)[N@@H+](CCOC)Cc1nnc(-c2ccccc2Br)o1 ZINC000064806230 823888517 /nfs/dbraw/zinc/88/85/17/823888517.db2.gz FWQAFIIVDOPUIW-UHFFFAOYSA-N 1 1 382.302 4.136 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000064820919 823891392 /nfs/dbraw/zinc/89/13/92/823891392.db2.gz GKKLSPYVQNUSNS-PVAVHDDUSA-N 1 1 382.470 4.436 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000462244605 823893961 /nfs/dbraw/zinc/89/39/61/823893961.db2.gz LJZINIBBLIKMNV-JXFKEZNVSA-N 1 1 392.528 4.452 20 0 GIADMO CCN(C(=O)c1ccc(C)c(NC(C)=O)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000126545652 823894782 /nfs/dbraw/zinc/89/47/82/823894782.db2.gz BZYAPFJNUWBEMN-PGRDOPGGSA-N 1 1 393.531 4.251 20 0 GIADMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2sccc2[nH]1 ZINC000192181764 823894931 /nfs/dbraw/zinc/89/49/31/823894931.db2.gz MOZGZHTZZKTNRI-INIZCTEOSA-N 1 1 391.500 4.125 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C(F)F ZINC000575036245 823896065 /nfs/dbraw/zinc/89/60/65/823896065.db2.gz ITGOWCVZUAMSLV-MOPGFXCFSA-N 1 1 379.495 4.118 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167814272 823896526 /nfs/dbraw/zinc/89/65/26/823896526.db2.gz QXVZNQFPSPUAQV-ZIAGYGMSSA-N 1 1 378.438 4.477 20 0 GIADMO CCN(C(=O)c1ccc(F)c(NC(C)=O)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000126552451 823896804 /nfs/dbraw/zinc/89/68/04/823896804.db2.gz DEZFMGGAIAIZOU-JXFKEZNVSA-N 1 1 397.494 4.082 20 0 GIADMO COc1cc([C@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000167856604 823896807 /nfs/dbraw/zinc/89/68/07/823896807.db2.gz NEOPQMHYUHNJEJ-IRXDYDNUSA-N 1 1 386.536 4.492 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(COC4CCCCC4)c3)CC[C@@H]21 ZINC000167885514 823897418 /nfs/dbraw/zinc/89/74/18/823897418.db2.gz ZIZMFEFYEQASBC-UGKGYDQZSA-N 1 1 385.552 4.484 20 0 GIADMO CCN1CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](C)C1 ZINC000167901114 823898275 /nfs/dbraw/zinc/89/82/75/823898275.db2.gz INUKPIAQBCHXIR-QRWLVFNGSA-N 1 1 384.395 4.278 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167947852 823898764 /nfs/dbraw/zinc/89/87/64/823898764.db2.gz DQXCTADMHAGRKU-IBGZPJMESA-N 1 1 387.959 4.144 20 0 GIADMO O=C(CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044869 823898794 /nfs/dbraw/zinc/89/87/94/823898794.db2.gz AMYYJPQKBYOAOD-FQEVSTJZSA-N 1 1 383.923 4.065 20 0 GIADMO O=C(C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)Nc1ccc(Cl)cc1 ZINC000575044869 823898798 /nfs/dbraw/zinc/89/87/98/823898798.db2.gz AMYYJPQKBYOAOD-FQEVSTJZSA-N 1 1 383.923 4.065 20 0 GIADMO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)cn1 ZINC000414068078 823900235 /nfs/dbraw/zinc/90/02/35/823900235.db2.gz JMLFSVDHKUPAOH-INIZCTEOSA-N 1 1 378.476 4.266 20 0 GIADMO Cc1ccccc1COc1ccc([C@@H](C)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000168288085 823902056 /nfs/dbraw/zinc/90/20/56/823902056.db2.gz IMVHDQYEYKZNDZ-HXUWFJFHSA-N 1 1 382.548 4.335 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126571965 823902375 /nfs/dbraw/zinc/90/23/75/823902375.db2.gz UNVSRHQKSDWKFX-MJGOQNOKSA-N 1 1 380.492 4.131 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000462259039 823902380 /nfs/dbraw/zinc/90/23/80/823902380.db2.gz MNSSUCUIGBJPAY-YWZLYKJASA-N 1 1 390.487 4.347 20 0 GIADMO COc1cc(Cl)c(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000575066487 823903126 /nfs/dbraw/zinc/90/31/26/823903126.db2.gz UICVJBPRRFGSOU-RDTXWAMCSA-N 1 1 377.916 4.138 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)COc2ccccc2C(F)(F)F)s1 ZINC000414077594 823903179 /nfs/dbraw/zinc/90/31/79/823903179.db2.gz RFNMHPAEKMQNMM-QWRGUYRKSA-N 1 1 388.411 4.067 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc(N2CCCC2)[nH+]1 ZINC000462262696 823904420 /nfs/dbraw/zinc/90/44/20/823904420.db2.gz UTRGRSGSKSGBEI-APWZRJJASA-N 1 1 382.508 4.266 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)cc1OC ZINC000168597495 823904496 /nfs/dbraw/zinc/90/44/96/823904496.db2.gz RRAHEWQYSRDTDC-HZPDHXFCSA-N 1 1 383.467 4.500 20 0 GIADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000462263374 823905050 /nfs/dbraw/zinc/90/50/50/823905050.db2.gz OGRCVXJOAJQTIK-ZOCIIQOWSA-N 1 1 387.321 4.114 20 0 GIADMO Cc1cc(CNC(=O)N2CCCCC[C@@H]2c2ccco2)cc(N2CCCC2)[nH+]1 ZINC000462264200 823905313 /nfs/dbraw/zinc/90/53/13/823905313.db2.gz VHSXRJGHSDYKIA-LJQANCHMSA-N 1 1 382.508 4.410 20 0 GIADMO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(Cl)c2)c(Br)c1 ZINC000575078129 823906146 /nfs/dbraw/zinc/90/61/46/823906146.db2.gz FWEYVEXGIPCOBW-UHFFFAOYSA-N 1 1 398.684 4.188 20 0 GIADMO C[C@H](c1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1)[NH+]1CCOCC1 ZINC000192216497 823906284 /nfs/dbraw/zinc/90/62/84/823906284.db2.gz OYBAJEWGYWXXBN-CYBMUJFWSA-N 1 1 375.856 4.083 20 0 GIADMO CCN(C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[C@H](C)Cc1ccsc1 ZINC000462268216 823906453 /nfs/dbraw/zinc/90/64/53/823906453.db2.gz BKCOTYKOMVWWRE-QGZVFWFLSA-N 1 1 386.565 4.214 20 0 GIADMO Cc1cc(CNC(=O)N2CCC[C@@]2(C)Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000462273190 823908972 /nfs/dbraw/zinc/90/89/72/823908972.db2.gz QMQTXUVTBYICJB-DEOSSOPVSA-N 1 1 392.547 4.297 20 0 GIADMO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000169276134 823910731 /nfs/dbraw/zinc/91/07/31/823910731.db2.gz NGIOAPFPVUNTIU-KRWDZBQOSA-N 1 1 391.943 4.046 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000462282547 823911861 /nfs/dbraw/zinc/91/18/61/823911861.db2.gz WMVGGBDHYDPOFI-SCLBCKFNSA-N 1 1 399.445 4.143 20 0 GIADMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000462282547 823911866 /nfs/dbraw/zinc/91/18/66/823911866.db2.gz WMVGGBDHYDPOFI-SCLBCKFNSA-N 1 1 399.445 4.143 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000462282547 823911870 /nfs/dbraw/zinc/91/18/70/823911870.db2.gz WMVGGBDHYDPOFI-SCLBCKFNSA-N 1 1 399.445 4.143 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c(C)c1 ZINC000414115037 823912823 /nfs/dbraw/zinc/91/28/23/823912823.db2.gz MKYUVUOJXBMABS-MSOLQXFVSA-N 1 1 385.527 4.306 20 0 GIADMO CC(C)Cn1ncc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C(C)C ZINC000462288364 823913172 /nfs/dbraw/zinc/91/31/72/823913172.db2.gz ULIXYTYHEWDDHD-WIYYLYMNSA-N 1 1 397.567 4.305 20 0 GIADMO Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC(F)F ZINC000575112576 823915639 /nfs/dbraw/zinc/91/56/39/823915639.db2.gz WNCLVVMBUJOUGC-QGZVFWFLSA-N 1 1 375.419 4.117 20 0 GIADMO Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC(F)F ZINC000575112576 823915643 /nfs/dbraw/zinc/91/56/43/823915643.db2.gz WNCLVVMBUJOUGC-QGZVFWFLSA-N 1 1 375.419 4.117 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126635975 823916491 /nfs/dbraw/zinc/91/64/91/823916491.db2.gz IOBLBORENOMEBW-VGOFRKELSA-N 1 1 382.479 4.024 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126635975 823916500 /nfs/dbraw/zinc/91/65/00/823916500.db2.gz IOBLBORENOMEBW-VGOFRKELSA-N 1 1 382.479 4.024 20 0 GIADMO c1ccc2c(c1)cccc2OCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000064951374 823917761 /nfs/dbraw/zinc/91/77/61/823917761.db2.gz VRXMTORAGAJHDZ-FQEVSTJZSA-N 1 1 390.531 4.416 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000064956853 823918245 /nfs/dbraw/zinc/91/82/45/823918245.db2.gz KHBJHSNXRSVJMQ-ZFWWWQNUSA-N 1 1 399.343 4.107 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000064956743 823918388 /nfs/dbraw/zinc/91/83/88/823918388.db2.gz ZOPUOUUEJFMIML-STKMQCMOSA-N 1 1 390.936 4.066 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)c1nc2c(s1)CCC2 ZINC000414158764 823920009 /nfs/dbraw/zinc/92/00/09/823920009.db2.gz UWWAACIAKZUJRY-GJZGRUSLSA-N 1 1 382.533 4.356 20 0 GIADMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1 ZINC000462313580 823921462 /nfs/dbraw/zinc/92/14/62/823921462.db2.gz ICCDOQWPLSDAHJ-UHFFFAOYSA-N 1 1 399.516 4.051 20 0 GIADMO C[NH+](C)[C@@H](C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccccc1 ZINC000170627373 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CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192334597 823950095 /nfs/dbraw/zinc/95/00/95/823950095.db2.gz MLSHDNLQCPUZBC-PKOBYXMFSA-N 1 1 381.524 4.086 20 0 GIADMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000065165024 823955891 /nfs/dbraw/zinc/95/58/91/823955891.db2.gz XVVRFLMDJCBDGE-UHFFFAOYSA-N 1 1 380.532 4.351 20 0 GIADMO c1csc(-c2ncc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)s2)c1 ZINC000192356313 823957967 /nfs/dbraw/zinc/95/79/67/823957967.db2.gz MKJRURMDYKHHEX-SFHVURJKSA-N 1 1 399.585 4.252 20 0 GIADMO c1csc(-c2ncc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCCO3)s2)c1 ZINC000192356313 823957978 /nfs/dbraw/zinc/95/79/78/823957978.db2.gz MKJRURMDYKHHEX-SFHVURJKSA-N 1 1 399.585 4.252 20 0 GIADMO C[N@@H+](Cc1ccccc1)C1CCC(Nc2cccc([C@@H]3CCC(=O)N3)c2)CC1 ZINC000414327355 823958756 /nfs/dbraw/zinc/95/87/56/823958756.db2.gz YJTBZSAPODYPEM-SDVLMSEASA-N 1 1 377.532 4.493 20 0 GIADMO C[N@H+]1CCC[C@H]1CCSc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC000126832296 823962118 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4.420 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000575399565 823967195 /nfs/dbraw/zinc/96/71/95/823967195.db2.gz GZZHDCPZTPYCJU-UHFFFAOYSA-N 1 1 390.793 4.345 20 0 GIADMO CC(C)c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nn1-c1ccccc1 ZINC000126860514 823968570 /nfs/dbraw/zinc/96/85/70/823968570.db2.gz MMBQILHNFNKXCB-GCJKJVERSA-N 1 1 392.547 4.085 20 0 GIADMO COc1ccc(COC[C@@H](O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cc1 ZINC000126870384 823970853 /nfs/dbraw/zinc/97/08/53/823970853.db2.gz RRDOTCWKSFLKRJ-JTHBVZDNSA-N 1 1 398.547 4.003 20 0 GIADMO Brc1ccccc1N1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126873271 823971423 /nfs/dbraw/zinc/97/14/23/823971423.db2.gz NXTGENQTBAPAHB-QFBILLFUSA-N 1 1 397.320 4.130 20 0 GIADMO O[C@](C[NH2+]Cc1ccc(CSC(F)F)o1)(c1ccccc1)C(F)(F)F ZINC000170790814 823972306 /nfs/dbraw/zinc/97/23/06/823972306.db2.gz FWDZXMSAXJLUIL-OAHLLOKOSA-N 1 1 381.366 4.275 20 0 GIADMO Cc1cc(Br)cn2c(C[NH+]3CCC(c4ccncc4)CC3)cnc12 ZINC000575599533 823978188 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20 0 GIADMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C12CCCC2 ZINC000575771032 823990258 /nfs/dbraw/zinc/99/02/58/823990258.db2.gz XECDKJDHEDTWAD-IRXDYDNUSA-N 1 1 375.900 4.158 20 0 GIADMO CCn1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)n1 ZINC000414478514 823991858 /nfs/dbraw/zinc/99/18/58/823991858.db2.gz GINKTBYNZIEWME-UHFFFAOYSA-N 1 1 385.895 4.434 20 0 GIADMO FC(F)(F)Cn1cc(C[NH2+]Cc2cccc(Br)c2Cl)cn1 ZINC000414489744 823994044 /nfs/dbraw/zinc/99/40/44/823994044.db2.gz YYPATMYEBULKSE-UHFFFAOYSA-N 1 1 382.611 4.151 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cc2)cs1 ZINC000414489467 823994106 /nfs/dbraw/zinc/99/41/06/823994106.db2.gz SMZWDYNZADEAKK-UNMCSNQZSA-N 1 1 380.513 4.338 20 0 GIADMO CC(C)(C)c1ccncc1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000414499193 823995686 /nfs/dbraw/zinc/99/56/86/823995686.db2.gz OCDZXNXNFGIAPL-UHFFFAOYSA-N 1 1 377.282 4.160 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C)c(N3CCNC3=O)c2)cc1 ZINC000575787654 823995872 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Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414537397 824004762 /nfs/dbraw/zinc/00/47/62/824004762.db2.gz YXSAGHLUPYCDOV-NRFANRHFSA-N 1 1 389.490 4.404 20 0 GIADMO CN(C[C@@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1)C(=O)OC(C)(C)C ZINC000170930222 824007236 /nfs/dbraw/zinc/00/72/36/824007236.db2.gz MZPYHQYDXITDFW-AWEZNQCLSA-N 1 1 377.510 4.092 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1)C(=O)OC(C)(C)C ZINC000170930222 824007243 /nfs/dbraw/zinc/00/72/43/824007243.db2.gz MZPYHQYDXITDFW-AWEZNQCLSA-N 1 1 377.510 4.092 20 0 GIADMO CC[C@@H]1C[C@@H](C[N@@H+](C[C@@H](O)COc2ccccc2SC)C(C)C)CCO1 ZINC000414544886 824007492 /nfs/dbraw/zinc/00/74/92/824007492.db2.gz FRFYVBKKVXQSAR-IPMKNSEASA-N 1 1 381.582 4.064 20 0 GIADMO COc1cc(OC)c(OC)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414547011 824007908 /nfs/dbraw/zinc/00/79/08/824007908.db2.gz GTBJLWJLHSZLOP-QFIPXVFZSA-N 1 1 383.488 4.066 20 0 GIADMO COc1cc(OC)c(OC)cc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414547011 824007911 /nfs/dbraw/zinc/00/79/11/824007911.db2.gz GTBJLWJLHSZLOP-QFIPXVFZSA-N 1 1 383.488 4.066 20 0 GIADMO CCCCCOc1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)ccc1OC ZINC000414548908 824008449 /nfs/dbraw/zinc/00/84/49/824008449.db2.gz KZMRDERFYQEGLZ-HXUWFJFHSA-N 1 1 388.552 4.241 20 0 GIADMO C[N@@H+](CCCc1ccccc1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000170938339 824008857 /nfs/dbraw/zinc/00/88/57/824008857.db2.gz FBOLAALFDCVXKU-UHFFFAOYSA-N 1 1 385.305 4.286 20 0 GIADMO COc1ncc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1Cl ZINC000575839640 824009356 /nfs/dbraw/zinc/00/93/56/824009356.db2.gz RMWPKDDDHBPZJR-UHFFFAOYSA-N 1 1 375.831 4.404 20 0 GIADMO O=C1CCCN1Cc1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000192492278 824009938 /nfs/dbraw/zinc/00/99/38/824009938.db2.gz ODRRKLWVRDDCOD-UHFFFAOYSA-N 1 1 391.284 4.000 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)cc(OC)c1OC ZINC000414553443 824010671 /nfs/dbraw/zinc/01/06/71/824010671.db2.gz FQTJZONMJSOPLQ-MRXNPFEDSA-N 1 1 393.524 4.046 20 0 GIADMO CC(C)[N@H+]1CCc2nc(CN3CC4(CCOCC4)[C@@H]3c3ccccc3)sc2C1 ZINC000414554999 824010749 /nfs/dbraw/zinc/01/07/49/824010749.db2.gz LVVANUVJFYMBJG-QFIPXVFZSA-N 1 1 397.588 4.263 20 0 GIADMO CC(C)(CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000575845985 824011346 /nfs/dbraw/zinc/01/13/46/824011346.db2.gz DWCFHXBVDLKCQV-KRWDZBQOSA-N 1 1 385.474 4.176 20 0 GIADMO COc1ccc(CN(C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1Cl ZINC000414557002 824011877 /nfs/dbraw/zinc/01/18/77/824011877.db2.gz ZFTXRAPNFOIANG-UHFFFAOYSA-N 1 1 379.957 4.204 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1nc(-c3cc4ccccc4o3)cs1)C2 ZINC000575857800 824013831 /nfs/dbraw/zinc/01/38/31/824013831.db2.gz ZPHLITFDFVBYLP-AWEZNQCLSA-N 1 1 378.457 4.262 20 0 GIADMO COc1ccsc1C[N@@H+](C[C@H](O)COc1ccccc1SC)C(C)C ZINC000414566595 824014124 /nfs/dbraw/zinc/01/41/24/824014124.db2.gz XANUWXZCZPEVIV-HNNXBMFYSA-N 1 1 381.563 4.129 20 0 GIADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000414668930 824022100 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O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000192560029 824031386 /nfs/dbraw/zinc/03/13/86/824031386.db2.gz ZMCPNCXRUMWIEH-UHFFFAOYSA-N 1 1 395.503 4.297 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000575937299 824032569 /nfs/dbraw/zinc/03/25/69/824032569.db2.gz CRHSHBRHHFMXBL-ULQDDVLXSA-N 1 1 384.524 4.135 20 0 GIADMO CCCN(C(=O)N[C@@H](C)c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000171003286 824033432 /nfs/dbraw/zinc/03/34/32/824033432.db2.gz RPAMJLYCCCCDJW-PZJWPPBQSA-N 1 1 380.536 4.229 20 0 GIADMO Cc1c(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)ccn1C ZINC000192585665 824038207 /nfs/dbraw/zinc/03/82/07/824038207.db2.gz VNWJDPMASPWOHX-UHFFFAOYSA-N 1 1 380.319 4.035 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@@H]3CCC[C@H]3C(C)(C)C)CC2)oc1C ZINC000575969428 824041378 /nfs/dbraw/zinc/04/13/78/824041378.db2.gz FWVZSGAEPLHLQD-RTBURBONSA-N 1 1 390.572 4.017 20 0 GIADMO CCCOc1c(Br)cc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414855819 824042759 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GIADMO CC[N@H+]1CCC[C@@H](CN(C)[C@H](C)c2ncc(C(C)(C)C)o2)[C@@H]1c1cnn(C)c1 ZINC000328637782 206236223 /nfs/dbraw/zinc/23/62/23/206236223.db2.gz OURGVUMSSGYMDD-FUHIMQAGSA-N 1 1 387.572 4.172 20 0 GIADMO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4cc(Oc5ccccc5)ncn4)[C@@H]3C2)cc1 ZINC001164621864 719064415 /nfs/dbraw/zinc/06/44/15/719064415.db2.gz IAFZSVQYXOUZQC-RBBKRZOGSA-N 1 1 386.499 4.370 20 0 GIADMO Clc1cnc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2c1 ZINC001164620410 719074941 /nfs/dbraw/zinc/07/49/41/719074941.db2.gz DTSRKVOFHKLQIT-ICSRJNTNSA-N 1 1 378.907 4.384 20 0 GIADMO CCOC(=O)c1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC001164622441 719090788 /nfs/dbraw/zinc/09/07/88/719090788.db2.gz BZSWFRFGLJOQID-HKUYNNGSSA-N 1 1 399.922 4.013 20 0 GIADMO Cc1nc(-c2ccccn2)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C ZINC001164623544 719104499 /nfs/dbraw/zinc/10/44/99/719104499.db2.gz DLBDXODRUKZDQD-GMAHTHKFSA-N 1 1 399.542 4.256 20 0 GIADMO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4nccnc4Oc4ccccc4)[C@@H]3C2)cc1 ZINC001164621813 719105822 /nfs/dbraw/zinc/10/58/22/719105822.db2.gz AXQWJUMABOLIMD-RBBKRZOGSA-N 1 1 386.499 4.370 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@@H](C)C[N@@H+]1C ZINC001164641030 719209687 /nfs/dbraw/zinc/20/96/87/719209687.db2.gz UMYAHOQTYBIDQR-ZJUUUORDSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2ccc3c(Cl)nc(Cl)nc3c2)[C@@H](C)C[N@H+]1C ZINC001164641030 719209694 /nfs/dbraw/zinc/20/96/94/719209694.db2.gz UMYAHOQTYBIDQR-ZJUUUORDSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164632268 719233983 /nfs/dbraw/zinc/23/39/83/719233983.db2.gz ARTYKPRPSJRHBV-LSDHHAIUSA-N 1 1 393.560 4.161 20 0 GIADMO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000508374629 719245819 /nfs/dbraw/zinc/24/58/19/719245819.db2.gz FHRIQHQHHMGCGT-HUUCEWRRSA-N 1 1 382.533 4.034 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc3cccc(Cl)c31)CC2 ZINC001164650357 719311694 /nfs/dbraw/zinc/31/16/94/719311694.db2.gz WOCUALDWMQUONP-UHFFFAOYSA-N 1 1 383.927 4.290 20 0 GIADMO Cc1cc2c(ccnc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)o1 ZINC001164670519 719525136 /nfs/dbraw/zinc/52/51/36/719525136.db2.gz DJGSQGADMFRZGR-UHFFFAOYSA-N 1 1 395.478 4.147 20 0 GIADMO Cc1cc2c(ccnc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)o1 ZINC001164670519 719525144 /nfs/dbraw/zinc/52/51/44/719525144.db2.gz DJGSQGADMFRZGR-UHFFFAOYSA-N 1 1 395.478 4.147 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)nc4ccccc42)CC3)cs1 ZINC001164694339 719805746 /nfs/dbraw/zinc/80/57/46/719805746.db2.gz XIIMGBBVCBFSGK-UHFFFAOYSA-N 1 1 393.560 4.338 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(C)nc(C)nc2Cl)CC3)cs1 ZINC001164693843 719807204 /nfs/dbraw/zinc/80/72/04/719807204.db2.gz ROICCARZMISILJ-UHFFFAOYSA-N 1 1 391.972 4.147 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4ncccc4n2)CC3)cs1 ZINC001164693766 719807857 /nfs/dbraw/zinc/80/78/57/719807857.db2.gz RCDBZTXZUMQESJ-UHFFFAOYSA-N 1 1 379.533 4.030 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4cccc(F)c42)CC3)cs1 ZINC001164694531 719809768 /nfs/dbraw/zinc/80/97/68/719809768.db2.gz ZSIGGHVGMXHXJG-UHFFFAOYSA-N 1 1 397.523 4.169 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3cc1Cl)C2 ZINC001164814299 720099700 /nfs/dbraw/zinc/09/97/00/720099700.db2.gz WMGPJXUIAZOIII-AVRDEDQJSA-N 1 1 385.939 4.073 20 0 GIADMO Fc1ccc2nc(Cl)cc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729772 720358373 /nfs/dbraw/zinc/35/83/73/720358373.db2.gz XYGHZFOFSAEMDK-RTBURBONSA-N 1 1 382.870 4.276 20 0 GIADMO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc2cc(Cl)ccc12 ZINC001164728933 720407152 /nfs/dbraw/zinc/40/71/52/720407152.db2.gz UIMNXLYIFLXLLQ-RTWAWAEBSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc2cc(Cl)ccc12 ZINC001164728935 720408099 /nfs/dbraw/zinc/40/80/99/720408099.db2.gz UIMNXLYIFLXLLQ-SFTDATJTSA-N 1 1 378.907 4.445 20 0 GIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164726335 720411225 /nfs/dbraw/zinc/41/12/25/720411225.db2.gz BMNILVUSROPDFJ-VQTJNVASSA-N 1 1 394.906 4.145 20 0 GIADMO Cc1c(Cl)ccc2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164735416 720420767 /nfs/dbraw/zinc/42/07/67/720420767.db2.gz XGJVOCJJYQYCDM-WOJBJXKFSA-N 1 1 378.907 4.445 20 0 GIADMO CCCCOc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164735873 720423888 /nfs/dbraw/zinc/42/38/88/720423888.db2.gz YVHFAEJJPGLQCR-VQTJNVASSA-N 1 1 386.927 4.162 20 0 GIADMO CCCCOc1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164735873 720423896 /nfs/dbraw/zinc/42/38/96/720423896.db2.gz YVHFAEJJPGLQCR-VQTJNVASSA-N 1 1 386.927 4.162 20 0 GIADMO Cc1nc(C2CCCCC2)cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164734748 720425630 /nfs/dbraw/zinc/42/56/30/720425630.db2.gz UAMHRIRHQXMHDH-YADHBBJMSA-N 1 1 377.536 4.081 20 0 GIADMO Clc1cccc(-c2cc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ncn2)c1 ZINC001164733923 720450093 /nfs/dbraw/zinc/45/00/93/720450093.db2.gz QTDGJKCRYKUUIC-LEWJYISDSA-N 1 1 391.906 4.045 20 0 GIADMO Cc1cc2ccccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838601 720574041 /nfs/dbraw/zinc/57/40/41/720574041.db2.gz OSAYRQLUZPEILX-MQSCRBSSSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1Cl ZINC001164843841 720686185 /nfs/dbraw/zinc/68/61/85/720686185.db2.gz RJBKMVMQXOEVJP-IBGZPJMESA-N 1 1 385.939 4.303 20 0 GIADMO CSc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001164841791 720708712 /nfs/dbraw/zinc/70/87/12/720708712.db2.gz XAKZGMMIWPEHSQ-HXUWFJFHSA-N 1 1 397.588 4.372 20 0 GIADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164774118 721286334 /nfs/dbraw/zinc/28/63/34/721286334.db2.gz XBVDJTNXNBLKMC-UHFFFAOYSA-N 1 1 377.866 4.355 20 0 GIADMO Cc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(C(C)C)n1 ZINC001164795440 721500114 /nfs/dbraw/zinc/50/01/14/721500114.db2.gz HBCKDAWRVQKNRN-UHFFFAOYSA-N 1 1 379.552 4.184 20 0 GIADMO Cc1cc2cccnc2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796718 721502259 /nfs/dbraw/zinc/50/22/59/721502259.db2.gz WHFZNBPFJOYESJ-UHFFFAOYSA-N 1 1 387.531 4.214 20 0 GIADMO Cc1ccc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1 ZINC001164903460 721532303 /nfs/dbraw/zinc/53/23/03/721532303.db2.gz CTWNXVDHVVCQGA-CTNGQTDRSA-N 1 1 377.463 4.024 20 0 GIADMO Cc1cccc2c1ccnc2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164906943 721534853 /nfs/dbraw/zinc/53/48/53/721534853.db2.gz LZFYHBDCIOXAFY-QUCCMNQESA-N 1 1 377.463 4.024 20 0 GIADMO Fc1cnc(Cl)cc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907516 721701088 /nfs/dbraw/zinc/70/10/88/721701088.db2.gz VCGGLKPQQAYHLP-SFHVURJKSA-N 1 1 396.844 4.007 20 0 GIADMO FC1(F)CCN(c2cc(C3CC3)ccn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907836 721710465 /nfs/dbraw/zinc/71/04/65/721710465.db2.gz UMKREVWGJQVRIY-OAQYLSRUSA-N 1 1 384.474 4.092 20 0 GIADMO FC1(F)CCN(c2cccc(C3CC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913466 721735893 /nfs/dbraw/zinc/73/58/93/721735893.db2.gz VXSKUKHTKWVWOT-NRFANRHFSA-N 1 1 384.474 4.092 20 0 GIADMO Cc1cc(Cl)c(C)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024897 721817362 /nfs/dbraw/zinc/81/73/62/721817362.db2.gz KZRCTXBZRQBICM-HFSMHLIXSA-N 1 1 384.955 4.484 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(-c4ccccc4)cn3)C[C@H]21 ZINC001165024640 721823377 /nfs/dbraw/zinc/82/33/77/721823377.db2.gz KVEWGNQBAPFHDQ-BGWNEDDSSA-N 1 1 399.542 4.276 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)C)n1 ZINC001165021537 721823469 /nfs/dbraw/zinc/82/34/69/721823469.db2.gz GAOMDCVNAMOKKL-CEWLAPEOSA-N 1 1 379.552 4.040 20 0 GIADMO CC(C)Sc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nn1 ZINC001165026209 721827088 /nfs/dbraw/zinc/82/70/88/721827088.db2.gz OHLIEEBYVZPPBD-SXLOBPIMSA-N 1 1 397.592 4.109 20 0 GIADMO CSCc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027008 721828988 /nfs/dbraw/zinc/82/89/88/721828988.db2.gz QSTZRGFWYFCULN-JBACZVJFSA-N 1 1 382.577 4.077 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc(C)c4Cl)CC3)C2)cc1 ZINC001164941007 721925212 /nfs/dbraw/zinc/92/52/12/721925212.db2.gz YQLFHFKILVYYKZ-UHFFFAOYSA-N 1 1 385.939 4.223 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5occc5n4)CC3)C2)cc1 ZINC001164938624 721927020 /nfs/dbraw/zinc/92/70/20/721927020.db2.gz BFFZDURQDYZPKF-UHFFFAOYSA-N 1 1 377.488 4.008 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)nc(C(C)C)n4)CC3)C2)cc1 ZINC001164938735 721930300 /nfs/dbraw/zinc/93/03/00/721930300.db2.gz FXBXLAIKLKSMRY-UHFFFAOYSA-N 1 1 394.563 4.088 20 0 GIADMO COc1cc(Cl)cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994537 722193756 /nfs/dbraw/zinc/19/37/56/722193756.db2.gz NUHSYAQMGHQPBO-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc(Cl)cn2)C3)c1 ZINC001164995947 722193932 /nfs/dbraw/zinc/19/39/32/722193932.db2.gz ZXRUHBFRDXLEHN-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cnc(Cl)cn2)C3)c1 ZINC001164995947 722193933 /nfs/dbraw/zinc/19/39/33/722193933.db2.gz ZXRUHBFRDXLEHN-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO C[N@@H+](Cc1ccc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2ccccc2)nc1)C1CC1 ZINC001165004569 722271980 /nfs/dbraw/zinc/27/19/80/722271980.db2.gz BPAUMKZUFLRLLV-ZEQRLZLVSA-N 1 1 391.559 4.292 20 0 GIADMO Cc1[nH]c(=O)c(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1-c1ccccc1 ZINC000570501745 823047271 /nfs/dbraw/zinc/04/72/71/823047271.db2.gz CCCFAZMVVISFLY-MRXNPFEDSA-N 1 1 381.520 4.003 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000175818750 823047541 /nfs/dbraw/zinc/04/75/41/823047541.db2.gz HDVXHWWCUFBYQD-CYBMUJFWSA-N 1 1 384.402 4.185 20 0 GIADMO O=C(c1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1)N1CCCCC1 ZINC000175821094 823047886 /nfs/dbraw/zinc/04/78/86/823047886.db2.gz JTGPNODRGNQPIJ-SFTDATJTSA-N 1 1 398.572 4.462 20 0 GIADMO CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000570519211 823049096 /nfs/dbraw/zinc/04/90/96/823049096.db2.gz QJIBPHMLZQTXBS-CYBMUJFWSA-N 1 1 381.398 4.200 20 0 GIADMO Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)n1 ZINC000570527705 823050072 /nfs/dbraw/zinc/05/00/72/823050072.db2.gz WIKQXPQROAFBQL-HXUWFJFHSA-N 1 1 375.472 4.419 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H]2OCCC[C@@H]2C1)C1CCCCC1 ZINC000120741574 823055498 /nfs/dbraw/zinc/05/54/98/823055498.db2.gz KPMQOESEZURVTC-DENIHFKCSA-N 1 1 385.552 4.484 20 0 GIADMO Cc1ccc2c([nH+]cc(C(=O)[O-])c2N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000570573023 823056171 /nfs/dbraw/zinc/05/61/71/823056171.db2.gz JPAUSCJSZRAFLB-QGZVFWFLSA-N 1 1 389.499 4.261 20 0 GIADMO COc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c(OC)c1 ZINC000570617641 823063071 /nfs/dbraw/zinc/06/30/71/823063071.db2.gz BVTRJZSQGSCLKF-KBPBESRZSA-N 1 1 395.931 4.132 20 0 GIADMO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[C@@H](C)c1ccccc1C(F)(F)F ZINC000458610045 823063310 /nfs/dbraw/zinc/06/33/10/823063310.db2.gz LWXWLICNZMOVFC-GQIGUUNPSA-N 1 1 397.485 4.325 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000175877001 823061836 /nfs/dbraw/zinc/06/18/36/823061836.db2.gz DBKRJVVAIBBEMV-HXUWFJFHSA-N 1 1 392.547 4.333 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000175877001 823061840 /nfs/dbraw/zinc/06/18/40/823061840.db2.gz DBKRJVVAIBBEMV-HXUWFJFHSA-N 1 1 392.547 4.333 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1 ZINC000570636035 823064932 /nfs/dbraw/zinc/06/49/32/823064932.db2.gz ZTBHLKZHJMLDFG-QGZVFWFLSA-N 1 1 385.430 4.064 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1 ZINC000570636034 823065145 /nfs/dbraw/zinc/06/51/45/823065145.db2.gz ZTBHLKZHJMLDFG-KRWDZBQOSA-N 1 1 385.430 4.064 20 0 GIADMO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000120810764 823069035 /nfs/dbraw/zinc/06/90/35/823069035.db2.gz OHTBMYZDKOHTDF-XMSQKQJNSA-N 1 1 379.504 4.131 20 0 GIADMO CCCC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1cc(C)on1 ZINC000175911002 823070512 /nfs/dbraw/zinc/07/05/12/823070512.db2.gz IGFUGXLIHPXADS-UIFIKXQLSA-N 1 1 398.551 4.123 20 0 GIADMO CCCC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(=O)Nc1cc(C)on1 ZINC000175911002 823070514 /nfs/dbraw/zinc/07/05/14/823070514.db2.gz IGFUGXLIHPXADS-UIFIKXQLSA-N 1 1 398.551 4.123 20 0 GIADMO C[C@H](NC(=O)NC1CCC(C(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458669619 823072418 /nfs/dbraw/zinc/07/24/18/823072418.db2.gz IAHMCJHACBQHEF-WEOZKBJRSA-N 1 1 379.495 4.020 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458661352 823071059 /nfs/dbraw/zinc/07/10/59/823071059.db2.gz DYAMASVTOYCKRD-ZRCGQRJVSA-N 1 1 394.563 4.003 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCOC[C@H]2C2CCC2)c1 ZINC000570680366 823071259 /nfs/dbraw/zinc/07/12/59/823071259.db2.gz UMXMMDDCPKRTJV-FQEVSTJZSA-N 1 1 382.508 4.088 20 0 GIADMO CC1([C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)OCCO1 ZINC000187482400 823072557 /nfs/dbraw/zinc/07/25/57/823072557.db2.gz TWXFJEYWDUDAGS-AWEZNQCLSA-N 1 1 378.925 4.439 20 0 GIADMO CC1([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)OCCO1 ZINC000187482379 823072682 /nfs/dbraw/zinc/07/26/82/823072682.db2.gz TWXFJEYWDUDAGS-CQSZACIVSA-N 1 1 378.925 4.439 20 0 GIADMO C[C@H](C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)CN1CCN(C)CC1 ZINC000120832506 823073413 /nfs/dbraw/zinc/07/34/13/823073413.db2.gz QEQAZRMALDXXLS-MOPGFXCFSA-N 1 1 385.527 4.152 20 0 GIADMO C[C@@H](NC(=O)N1Cc2ccc(Cl)cc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458682097 823073562 /nfs/dbraw/zinc/07/35/62/823073562.db2.gz OGEIZDCSBGZLSQ-SJLPKXTDSA-N 1 1 383.923 4.276 20 0 GIADMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCC(CC(F)(F)F)CC2)c(C)c1 ZINC000570704304 823073712 /nfs/dbraw/zinc/07/37/12/823073712.db2.gz QBVKOIMZDVDOSD-AWEZNQCLSA-N 1 1 385.430 4.004 20 0 GIADMO C[C@@H](Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187496027 823074901 /nfs/dbraw/zinc/07/49/01/823074901.db2.gz YSYRWVRABGGAEO-QGZVFWFLSA-N 1 1 378.582 4.076 20 0 GIADMO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458708098 823077067 /nfs/dbraw/zinc/07/70/67/823077067.db2.gz PWWSFQRRMXHUOD-MJGOQNOKSA-N 1 1 383.458 4.116 20 0 GIADMO Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458708099 823077084 /nfs/dbraw/zinc/07/70/84/823077084.db2.gz PWWSFQRRMXHUOD-PKOBYXMFSA-N 1 1 383.458 4.116 20 0 GIADMO CC(C)[C@H](CC(F)(F)F)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000458698668 823075726 /nfs/dbraw/zinc/07/57/26/823075726.db2.gz WJIQAZVTZTUBLN-WMZOPIPTSA-N 1 1 385.474 4.127 20 0 GIADMO COc1ccc2c(c1)oc(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)c2-c1ccccc1 ZINC000055996716 823076391 /nfs/dbraw/zinc/07/63/91/823076391.db2.gz DHWWQZTXOMVMSF-WOJBJXKFSA-N 1 1 390.483 4.465 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@H+]1C ZINC000187510424 823077870 /nfs/dbraw/zinc/07/78/70/823077870.db2.gz LFRNEKBAALTCJV-PKOBYXMFSA-N 1 1 395.975 4.403 20 0 GIADMO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(=O)c4ccccc4[nH]3)cc2)CC1 ZINC000056011377 823078681 /nfs/dbraw/zinc/07/86/81/823078681.db2.gz RRNKUMPTOBLMHD-UHFFFAOYSA-N 1 1 375.472 4.012 20 0 GIADMO Cn1cc([C@H]2C[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2(C)C)cn1 ZINC000570735902 823078753 /nfs/dbraw/zinc/07/87/53/823078753.db2.gz AGCMLIJUDIXPGR-YADHBBJMSA-N 1 1 388.515 4.226 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)c2ccc(F)cc2)cn1 ZINC000187518506 823079692 /nfs/dbraw/zinc/07/96/92/823079692.db2.gz WEBYVBPEKAJQTI-QFIPXVFZSA-N 1 1 389.434 4.021 20 0 GIADMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000120873803 823080497 /nfs/dbraw/zinc/08/04/97/823080497.db2.gz GFZTZZAQXMWXMB-CVDCTZTESA-N 1 1 377.532 4.301 20 0 GIADMO COc1cc(Cl)c(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1C ZINC000570758493 823082244 /nfs/dbraw/zinc/08/22/44/823082244.db2.gz PXPVLCSAIKQYNB-UHFFFAOYSA-N 1 1 379.863 4.050 20 0 GIADMO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000187530288 823082979 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4.268 20 0 GIADMO COc1cc(Cl)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1Cl ZINC000120936944 823089638 /nfs/dbraw/zinc/08/96/38/823089638.db2.gz PKASJJUNJLNDRD-UHFFFAOYSA-N 1 1 391.302 4.424 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cnn(CC(F)(F)F)c2)[C@H](C)C2CC2)c(OC)c1 ZINC000570810194 823090293 /nfs/dbraw/zinc/09/02/93/823090293.db2.gz CVSVBYMPCYCSGY-CQSZACIVSA-N 1 1 397.441 4.263 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000056154636 823090873 /nfs/dbraw/zinc/09/08/73/823090873.db2.gz JQSMXWCXKPVEFV-DVECYGJZSA-N 1 1 391.559 4.171 20 0 GIADMO C[C@H]1CN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000458818584 823091502 /nfs/dbraw/zinc/09/15/02/823091502.db2.gz MZKSNZKSWKQXRS-APWZRJJASA-N 1 1 397.485 4.238 20 0 GIADMO Cc1ccccc1NC(=O)[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000056156227 823091608 /nfs/dbraw/zinc/09/16/08/823091608.db2.gz CBNKMAWIRDEROR-PMACEKPBSA-N 1 1 379.548 4.486 20 0 GIADMO Cc1ccccc1NC(=O)[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000056156227 823091612 /nfs/dbraw/zinc/09/16/12/823091612.db2.gz CBNKMAWIRDEROR-PMACEKPBSA-N 1 1 379.548 4.486 20 0 GIADMO O=C(Nc1ccc2c(c1)CCC2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000570825136 823092154 /nfs/dbraw/zinc/09/21/54/823092154.db2.gz HOJPZFLRVDXDMV-VXKWHMMOSA-N 1 1 375.516 4.161 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000187599039 823095524 /nfs/dbraw/zinc/09/55/24/823095524.db2.gz DXNWNXFFMQICJF-GOSISDBHSA-N 1 1 379.298 4.089 20 0 GIADMO C[C@@H](c1ccco1)N(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000056185924 823098509 /nfs/dbraw/zinc/09/85/09/823098509.db2.gz RSALGMRFRJBLEG-KSZLIROESA-N 1 1 382.504 4.255 20 0 GIADMO C[C@@H](c1ccco1)N(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000056185924 823098515 /nfs/dbraw/zinc/09/85/15/823098515.db2.gz RSALGMRFRJBLEG-KSZLIROESA-N 1 1 382.504 4.255 20 0 GIADMO Cc1nn(C)c(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c1Br ZINC000570871380 823099199 /nfs/dbraw/zinc/09/91/99/823099199.db2.gz DWUXACJXDJJZRP-UHFFFAOYSA-N 1 1 378.314 4.102 20 0 GIADMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000570876518 823100600 /nfs/dbraw/zinc/10/06/00/823100600.db2.gz JLVVRMDJZUYIGH-USXIJHARSA-N 1 1 384.442 4.022 20 0 GIADMO Cc1nc2sccn2c1-c1noc([C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000570880464 823101236 /nfs/dbraw/zinc/10/12/36/823101236.db2.gz SNPYAJWQRARWNA-GHMZBOCLSA-N 1 1 399.442 4.130 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000570892890 823103441 /nfs/dbraw/zinc/10/34/41/823103441.db2.gz ZZBMATNAPVGASI-GFCCVEGCSA-N 1 1 378.385 4.081 20 0 GIADMO Cc1cccc(COc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000176044896 823105242 /nfs/dbraw/zinc/10/52/42/823105242.db2.gz QBNGQHYINXTWJE-CVDCTZTESA-N 1 1 395.547 4.056 20 0 GIADMO CCN(c1ccccc1)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000176054682 823108168 /nfs/dbraw/zinc/10/81/68/823108168.db2.gz QLHUDOSWOGFCSK-AUSIDOKSSA-N 1 1 394.563 4.469 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c(C)c1OC ZINC000570972617 823113869 /nfs/dbraw/zinc/11/38/69/823113869.db2.gz HNRPUMNULPRJIV-HNNXBMFYSA-N 1 1 397.441 4.144 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000187673586 823110632 /nfs/dbraw/zinc/11/06/32/823110632.db2.gz KXQLIQAGOZTYIF-AWEZNQCLSA-N 1 1 396.350 4.088 20 0 GIADMO Cc1cc(CNC(=O)Nc2nc3c(s2)CCCCC3)cc(N2CCCC2)[nH+]1 ZINC000570975365 823114175 /nfs/dbraw/zinc/11/41/75/823114175.db2.gz AKCMPMLGDWVKCG-UHFFFAOYSA-N 1 1 385.537 4.037 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1(Cc2ccccc2F)CC1 ZINC000187693693 823114390 /nfs/dbraw/zinc/11/43/90/823114390.db2.gz RIVONIOUSJWTAE-KRWDZBQOSA-N 1 1 386.536 4.238 20 0 GIADMO CCC[N@H+]1CC[C@H](CNCc2cc(C(F)(F)F)ccc2Br)C1 ZINC000570977608 823114744 /nfs/dbraw/zinc/11/47/44/823114744.db2.gz AKYDFKIGHQKSJT-GFCCVEGCSA-N 1 1 379.264 4.289 20 0 GIADMO CCC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1)C(C)(C)C ZINC000459003526 823115307 /nfs/dbraw/zinc/11/53/07/823115307.db2.gz LWUPDLRTNJQJBK-DFQSSKMNSA-N 1 1 391.604 4.049 20 0 GIADMO CCN(C(=O)NC[C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459036617 823119320 /nfs/dbraw/zinc/11/93/20/823119320.db2.gz ZXFZEOXALHSCKV-VWPQPMDRSA-N 1 1 399.579 4.203 20 0 GIADMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]1c1ccccc1Br ZINC000121087945 823116122 /nfs/dbraw/zinc/11/61/22/823116122.db2.gz BPUASSPRZYTNRP-KRWDZBQOSA-N 1 1 376.298 4.098 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000176087327 823116408 /nfs/dbraw/zinc/11/64/08/823116408.db2.gz RPNVHBDRFCLEMW-UHFFFAOYSA-N 1 1 389.499 4.016 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CCCC2=O ZINC000570991191 823116657 /nfs/dbraw/zinc/11/66/57/823116657.db2.gz WGRXNUGYNLBQMV-HXUWFJFHSA-N 1 1 390.527 4.190 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3C[C@H](c4ccc(C)cc4)C[C@@H]3C)nc2c1 ZINC000570997087 823117567 /nfs/dbraw/zinc/11/75/67/823117567.db2.gz NTXRRQQRGXZSDS-FUHWJXTLSA-N 1 1 398.528 4.308 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+]3C[C@H](c4ccc(C)cc4)C[C@@H]3C)nc2c1 ZINC000570997087 823117568 /nfs/dbraw/zinc/11/75/68/823117568.db2.gz NTXRRQQRGXZSDS-FUHWJXTLSA-N 1 1 398.528 4.308 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)COc3ccccc3Br)c2C1 ZINC000121107605 823119946 /nfs/dbraw/zinc/11/99/46/823119946.db2.gz ZUPVWQQRCFCIFG-UHFFFAOYSA-N 1 1 389.293 4.192 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)COc3ccccc3Br)c2C1 ZINC000121107605 823119950 /nfs/dbraw/zinc/11/99/50/823119950.db2.gz ZUPVWQQRCFCIFG-UHFFFAOYSA-N 1 1 389.293 4.192 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000121110105 823120290 /nfs/dbraw/zinc/12/02/90/823120290.db2.gz KFDGJULZUMARIT-CYBMUJFWSA-N 1 1 390.940 4.429 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000121110105 823120291 /nfs/dbraw/zinc/12/02/91/823120291.db2.gz KFDGJULZUMARIT-CYBMUJFWSA-N 1 1 390.940 4.429 20 0 GIADMO COc1c(Cl)cccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000056287392 823121478 /nfs/dbraw/zinc/12/14/78/823121478.db2.gz CZSUZTSDIWJXFG-HUUCEWRRSA-N 1 1 388.895 4.210 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)c2ccccc2Br)CC[N@H+]1Cc1ccccc1 ZINC000176103186 823121656 /nfs/dbraw/zinc/12/16/56/823121656.db2.gz ITMZLESLTAZUCP-RDJZCZTQSA-N 1 1 387.321 4.232 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H](O)COCc1ccccc1F ZINC000121128069 823123121 /nfs/dbraw/zinc/12/31/21/823123121.db2.gz QMZOOQLOYRNOMM-WBVHZDCISA-N 1 1 380.529 4.285 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176115643 823125058 /nfs/dbraw/zinc/12/50/58/823125058.db2.gz PJNRPRMTSCSKAY-NSHGMRRFSA-N 1 1 398.572 4.345 20 0 GIADMO c1cc2cc(-c3noc(-c4ccccc4C[NH+]4CCOCC4)n3)ccc2s1 ZINC000571086487 823130118 /nfs/dbraw/zinc/13/01/18/823130118.db2.gz XCPMSSDNKDNQNM-UHFFFAOYSA-N 1 1 377.469 4.451 20 0 GIADMO CC[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000571068908 823127586 /nfs/dbraw/zinc/12/75/86/823127586.db2.gz SFAAATJFOBWDKC-UAPYVXQJSA-N 1 1 396.535 4.078 20 0 GIADMO Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2)cs1 ZINC000176122591 823128044 /nfs/dbraw/zinc/12/80/44/823128044.db2.gz AIHXPDJSGSAOKF-DNVCBOLYSA-N 1 1 394.544 4.230 20 0 GIADMO CCCN(C(=O)N[C@H](C)c1cnn(CC)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459099936 823128095 /nfs/dbraw/zinc/12/80/95/823128095.db2.gz KZUZJZKXZVAEBU-DENIHFKCSA-N 1 1 397.567 4.050 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000176127863 823130174 /nfs/dbraw/zinc/13/01/74/823130174.db2.gz QPDAEHPMGXJDFN-TZMCWYRMSA-N 1 1 380.385 4.026 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000121162496 823130151 /nfs/dbraw/zinc/13/01/51/823130151.db2.gz MULVACWCDKLGAE-AEFFLSMTSA-N 1 1 382.508 4.094 20 0 GIADMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCCc3ccsc3)CC2)cs1 ZINC000571079485 823128795 /nfs/dbraw/zinc/12/87/95/823128795.db2.gz SWOYYXWETJOFEW-INIZCTEOSA-N 1 1 379.595 4.053 20 0 GIADMO 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/nfs/dbraw/zinc/18/58/52/823185852.db2.gz RHXZJPPXXMLVFS-KRWDZBQOSA-N 1 1 390.503 4.311 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)Cc3c[nH]c4cc(F)ccc34)c2)C[C@H](C)O1 ZINC000121448301 823186296 /nfs/dbraw/zinc/18/62/96/823186296.db2.gz RUCCPMKRCLAOPK-HOTGVXAUSA-N 1 1 395.478 4.097 20 0 GIADMO CC(C)c1cc(NC(=O)N2CCC[N@H+](C(C)C)CC2)n(Cc2ccccc2)n1 ZINC000571462273 823186529 /nfs/dbraw/zinc/18/65/29/823186529.db2.gz NPZMLTQIATXLKW-UHFFFAOYSA-N 1 1 383.540 4.003 20 0 GIADMO COc1cccc([C@H](C)C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)c1 ZINC000121449918 823186711 /nfs/dbraw/zinc/18/67/11/823186711.db2.gz IBCQIXARIMORMZ-KURKYZTESA-N 1 1 382.504 4.047 20 0 GIADMO Cn1c(COc2ccc(Cl)cc2)nnc1SCC[C@@H]1CCCC[N@H+]1C ZINC000121450736 823187071 /nfs/dbraw/zinc/18/70/71/823187071.db2.gz LDWDEVRQRPAKLP-HNNXBMFYSA-N 1 1 380.945 4.014 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000121455040 823187923 /nfs/dbraw/zinc/18/79/23/823187923.db2.gz RCAIRIYEPHLRBL-CYBMUJFWSA-N 1 1 383.323 4.334 20 0 GIADMO CCOc1cc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)ccc1O ZINC000459431542 823190783 /nfs/dbraw/zinc/19/07/83/823190783.db2.gz LULPGLZOPYOQRP-UHFFFAOYSA-N 1 1 380.488 4.306 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000056658470 823191555 /nfs/dbraw/zinc/19/15/55/823191555.db2.gz XEBYEZWREUNIHG-QZTJIDSGSA-N 1 1 394.519 4.181 20 0 GIADMO CCOc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1F ZINC000571496281 823192288 /nfs/dbraw/zinc/19/22/88/823192288.db2.gz YEAGLEMKPVWKDO-KRWDZBQOSA-N 1 1 382.439 4.049 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(Cl)nc3Cl)c2)C[C@H](C)O1 ZINC000121487397 823193175 /nfs/dbraw/zinc/19/31/75/823193175.db2.gz LXSJLSCZJZSZKB-STQMWFEESA-N 1 1 394.302 4.250 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1C1CC1 ZINC000121490864 823193673 /nfs/dbraw/zinc/19/36/73/823193673.db2.gz NYCWDGGCUQSAOH-CQSZACIVSA-N 1 1 395.482 4.295 20 0 GIADMO CN(CC1(c2ccccc2)CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000188149319 823193977 /nfs/dbraw/zinc/19/39/77/823193977.db2.gz AABXXVGQDKBKHP-LJQANCHMSA-N 1 1 397.588 4.333 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2nnc3ccccn32)c(-c2ccccc2)cc1OC ZINC000121494424 823194235 /nfs/dbraw/zinc/19/42/35/823194235.db2.gz BJCNNYLLPUBOJR-MRXNPFEDSA-N 1 1 388.471 4.264 20 0 GIADMO CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000056692184 823194439 /nfs/dbraw/zinc/19/44/39/823194439.db2.gz JHXQTDXAVUAWNH-CQSZACIVSA-N 1 1 380.920 4.075 20 0 GIADMO COc1ccc(CNc2[nH+]cnc3c2c(C)c(C)n3Cc2ccco2)cc1O ZINC000121498454 823195026 /nfs/dbraw/zinc/19/50/26/823195026.db2.gz FZSJJDHMVMLZSG-UHFFFAOYSA-N 1 1 378.432 4.016 20 0 GIADMO C[C@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)CCN3)C[N@H+]1Cc1ccccc1 ZINC000571533633 823197115 /nfs/dbraw/zinc/19/71/15/823197115.db2.gz AJCFDCRZTZCQBX-HKUYNNGSSA-N 1 1 378.520 4.077 20 0 GIADMO CCN(C[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1)CC(F)(F)F ZINC000176404226 823201052 /nfs/dbraw/zinc/20/10/52/823201052.db2.gz DPQKMSIPTRMWGX-GJZGRUSLSA-N 1 1 382.430 4.004 20 0 GIADMO C[C@H]1[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCC12CCOCC2 ZINC000459479595 823201117 /nfs/dbraw/zinc/20/11/17/823201117.db2.gz IRYAHAVYJSAHBD-GOSISDBHSA-N 1 1 380.536 4.451 20 0 GIADMO COc1c(F)cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1F ZINC000056718223 823199041 /nfs/dbraw/zinc/19/90/41/823199041.db2.gz ONJOXYUCZZYDEJ-INIZCTEOSA-N 1 1 383.826 4.051 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1)CC(F)(F)F ZINC000176400814 823200095 /nfs/dbraw/zinc/20/00/95/823200095.db2.gz RHDNAWPHMJHPEN-CQSZACIVSA-N 1 1 387.471 4.418 20 0 GIADMO Cc1nnc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)n1C1CC1 ZINC000188187517 823200420 /nfs/dbraw/zinc/20/04/20/823200420.db2.gz RZZHURORILBQOF-KRWDZBQOSA-N 1 1 393.304 4.454 20 0 GIADMO COC(=O)c1ccc(C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)nc1C1CC1 ZINC000571603173 823206456 /nfs/dbraw/zinc/20/64/56/823206456.db2.gz WEKYYVPENWVGBJ-UHFFFAOYSA-N 1 1 393.512 4.467 20 0 GIADMO CCc1nocc1C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000571588220 823204320 /nfs/dbraw/zinc/20/43/20/823204320.db2.gz CCELQEJHYRHHLX-UHFFFAOYSA-N 1 1 387.487 4.176 20 0 GIADMO CCc1nocc1C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000571588220 823204325 /nfs/dbraw/zinc/20/43/25/823204325.db2.gz CCELQEJHYRHHLX-UHFFFAOYSA-N 1 1 387.487 4.176 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)c2ncc[nH]2)cc1 ZINC000188230228 823206810 /nfs/dbraw/zinc/20/68/10/823206810.db2.gz MIQQICLECIJROT-QGZVFWFLSA-N 1 1 379.357 4.369 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000571609275 823208132 /nfs/dbraw/zinc/20/81/32/823208132.db2.gz PZYOYUQBOXHUBV-STZQEDGTSA-N 1 1 399.579 4.160 20 0 GIADMO CSc1ccc([C@@H](C)NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000056761500 823208383 /nfs/dbraw/zinc/20/83/83/823208383.db2.gz CZAWJYRHCNFSEO-QGZVFWFLSA-N 1 1 399.560 4.166 20 0 GIADMO Cc1cc([C@H](C)NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c(C)s1 ZINC000056761976 823208426 /nfs/dbraw/zinc/20/84/26/823208426.db2.gz DYIJLHSIULWIQW-INIZCTEOSA-N 1 1 387.549 4.122 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056761560 823208463 /nfs/dbraw/zinc/20/84/63/823208463.db2.gz ORGXTSVCYXCLKO-HXUWFJFHSA-N 1 1 399.560 4.164 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000459513517 823208731 /nfs/dbraw/zinc/20/87/31/823208731.db2.gz BUJHNUDLUQZAEC-UHFFFAOYSA-N 1 1 399.535 4.290 20 0 GIADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000571615177 823209356 /nfs/dbraw/zinc/20/93/56/823209356.db2.gz QPSZNHJUSWCOBR-SFHVURJKSA-N 1 1 395.503 4.196 20 0 GIADMO C[C@H](NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12)c1ccccc1Cl ZINC000459519661 823210097 /nfs/dbraw/zinc/21/00/97/823210097.db2.gz YTPUUFZHZNTNGG-KRWDZBQOSA-N 1 1 398.934 4.081 20 0 GIADMO Cc1nccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000121584003 823211126 /nfs/dbraw/zinc/21/11/26/823211126.db2.gz GPNTWJWHUDDINF-RBUKOAKNSA-N 1 1 397.567 4.196 20 0 GIADMO Brc1ccc(-c2c[nH]c(C[NH+]3CCC([C@H]4CCCO4)CC3)n2)cc1 ZINC000188265710 823211239 /nfs/dbraw/zinc/21/12/39/823211239.db2.gz OGFKYSIPCPAQBM-GOSISDBHSA-N 1 1 390.325 4.230 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459548964 823217883 /nfs/dbraw/zinc/21/78/83/823217883.db2.gz ZOCINOQXCVWGIH-KXBFYZLASA-N 1 1 393.516 4.162 20 0 GIADMO COCc1cc(C[NH+]2CCC(C)(c3ccc(Br)cc3)CC2)no1 ZINC000459533742 823213580 /nfs/dbraw/zinc/21/35/80/823213580.db2.gz PTXQLVHJOHNWPN-UHFFFAOYSA-N 1 1 379.298 4.137 20 0 GIADMO CSCCCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000121599607 823213762 /nfs/dbraw/zinc/21/37/62/823213762.db2.gz CHZJHUKQGOVSFZ-QAPCUYQASA-N 1 1 388.499 4.348 20 0 GIADMO C[C@@H](c1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1)[NH+]1CCOCC1 ZINC000188285575 823214356 /nfs/dbraw/zinc/21/43/56/823214356.db2.gz GJEIACYBCYQXPS-KRWDZBQOSA-N 1 1 382.479 4.180 20 0 GIADMO COc1cc(OC)cc(Oc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000459536065 823214423 /nfs/dbraw/zinc/21/44/23/823214423.db2.gz APSUUDGWAHKOMO-UHFFFAOYSA-N 1 1 382.504 4.213 20 0 GIADMO CC(C)[C@H](Oc1ccc(Cl)cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000571650105 823214661 /nfs/dbraw/zinc/21/46/61/823214661.db2.gz JJOGZSVJPOJECJ-ABSDTBQOSA-N 1 1 391.899 4.425 20 0 GIADMO CC(C)[C@H](Oc1ccc(Cl)cc1)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000571650105 823214664 /nfs/dbraw/zinc/21/46/64/823214664.db2.gz JJOGZSVJPOJECJ-ABSDTBQOSA-N 1 1 391.899 4.425 20 0 GIADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459543358 823216323 /nfs/dbraw/zinc/21/63/23/823216323.db2.gz LRMZBZKPUAZANU-HNNXBMFYSA-N 1 1 387.553 4.227 20 0 GIADMO CCOc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc(Br)c1O ZINC000459554941 823219449 /nfs/dbraw/zinc/21/94/49/823219449.db2.gz GGVDKDDNFMTRJB-HIFRSBDPSA-N 1 1 376.241 4.031 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc(Br)c1O ZINC000459554941 823219451 /nfs/dbraw/zinc/21/94/51/823219451.db2.gz GGVDKDDNFMTRJB-HIFRSBDPSA-N 1 1 376.241 4.031 20 0 GIADMO CC(C)c1csc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000571690938 823219501 /nfs/dbraw/zinc/21/95/01/823219501.db2.gz PTJURCLIJFAWTD-QZTJIDSGSA-N 1 1 384.549 4.252 20 0 GIADMO c1c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459555032 823219640 /nfs/dbraw/zinc/21/96/40/823219640.db2.gz GVXAYXNPPHERHL-FQEVSTJZSA-N 1 1 380.536 4.309 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000459562577 823220797 /nfs/dbraw/zinc/22/07/97/823220797.db2.gz TZYLTHNIOYVYHP-CQSZACIVSA-N 1 1 375.444 4.473 20 0 GIADMO O=C(C[C@H]1CCCc2ccccc21)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000409451641 823221570 /nfs/dbraw/zinc/22/15/70/823221570.db2.gz CKPJQKFCSJMGPX-OAQYLSRUSA-N 1 1 378.516 4.010 20 0 GIADMO CC(=O)Nc1cccc([C@@H](C)NC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000121650185 823222446 /nfs/dbraw/zinc/22/24/46/823222446.db2.gz NWCBEVYSBQCEJN-QGZVFWFLSA-N 1 1 383.511 4.142 20 0 GIADMO COCC[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1cccnc1 ZINC000459569534 823222499 /nfs/dbraw/zinc/22/24/99/823222499.db2.gz YQBIBCAVWOOHBR-UHFFFAOYSA-N 1 1 391.519 4.104 20 0 GIADMO COCC[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)Cc1cccnc1 ZINC000459569534 823222505 /nfs/dbraw/zinc/22/25/05/823222505.db2.gz YQBIBCAVWOOHBR-UHFFFAOYSA-N 1 1 391.519 4.104 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2cccc(C(C)C)c2)cc1F ZINC000409458443 823223981 /nfs/dbraw/zinc/22/39/81/823223981.db2.gz UGVOVBXSBSFQNM-UHFFFAOYSA-N 1 1 381.451 4.138 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000571718424 823224095 /nfs/dbraw/zinc/22/40/95/823224095.db2.gz HBJNGZVOAIFUCH-JOCHJYFZSA-N 1 1 385.504 4.245 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000409460476 823224260 /nfs/dbraw/zinc/22/42/60/823224260.db2.gz SXJZVLGIAURUNB-APWZRJJASA-N 1 1 394.906 4.091 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCNC(=O)[C@H]3CC=CCC3)cc2)C1 ZINC000409461172 823224669 /nfs/dbraw/zinc/22/46/69/823224669.db2.gz NPODEJPOJWLLGC-CTNGQTDRSA-N 1 1 397.563 4.110 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC[C@@H]2Oc2ccccc2C)cs1)C1CC1 ZINC000121662905 823225232 /nfs/dbraw/zinc/22/52/32/823225232.db2.gz RFXDCZUSFUBGEP-CTNGQTDRSA-N 1 1 399.560 4.447 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000409463166 823225418 /nfs/dbraw/zinc/22/54/18/823225418.db2.gz CZRQOXKMCOEXOE-PZJWPPBQSA-N 1 1 397.563 4.252 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000176513386 823225935 /nfs/dbraw/zinc/22/59/35/823225935.db2.gz MPHKOZMRWOYHMS-SFHVURJKSA-N 1 1 382.504 4.291 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)cs1 ZINC000459587875 823226081 /nfs/dbraw/zinc/22/60/81/823226081.db2.gz QDFDYXDBFPRAJK-NRFANRHFSA-N 1 1 388.533 4.372 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)cs1 ZINC000459587875 823226083 /nfs/dbraw/zinc/22/60/83/823226083.db2.gz QDFDYXDBFPRAJK-NRFANRHFSA-N 1 1 388.533 4.372 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000571731925 823226985 /nfs/dbraw/zinc/22/69/85/823226985.db2.gz AOMLAUUXHFIUHF-NJYVYQBISA-N 1 1 399.560 4.262 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000571731925 823226987 /nfs/dbraw/zinc/22/69/87/823226987.db2.gz AOMLAUUXHFIUHF-NJYVYQBISA-N 1 1 399.560 4.262 20 0 GIADMO Clc1ccccc1-c1nnc(CN2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121670663 823227152 /nfs/dbraw/zinc/22/71/52/823227152.db2.gz JVOABPHZMSBBOB-UHFFFAOYSA-N 1 1 388.943 4.478 20 0 GIADMO COc1cc(C[NH+]2CC(c3nc(C)no3)C2)ccc1OCc1ccc(Cl)cc1 ZINC000459601851 823227920 /nfs/dbraw/zinc/22/79/20/823227920.db2.gz CKLJHWVFUULZDP-UHFFFAOYSA-N 1 1 399.878 4.218 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)C/C=C/c3ccc(C)cc3)CC2)cc1 ZINC000176527779 823229785 /nfs/dbraw/zinc/22/97/85/823229785.db2.gz MLKBKTDVYCZUGL-HWKANZROSA-N 1 1 378.516 4.141 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000459627192 823232104 /nfs/dbraw/zinc/23/21/04/823232104.db2.gz BCQKNMNCYSBRRT-MNOVXSKESA-N 1 1 394.338 4.072 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)o2)cc1C ZINC000121696965 823232435 /nfs/dbraw/zinc/23/24/35/823232435.db2.gz JFURXCNZOFEHHT-NQIIRXRSSA-N 1 1 399.535 4.465 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)c1nc2c(s1)CCC2 ZINC000459628507 823232448 /nfs/dbraw/zinc/23/24/48/823232448.db2.gz CUNBUGBVVUACIW-WDEREUQCSA-N 1 1 394.338 4.072 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000571779068 823233329 /nfs/dbraw/zinc/23/33/29/823233329.db2.gz GEFUIYMAGJNSHB-IRXDYDNUSA-N 1 1 389.506 4.119 20 0 GIADMO COc1cc2cc[nH+]c(NCc3ccc(-n4nc(C)cc4C)nc3)c2cc1F ZINC000571794418 823235136 /nfs/dbraw/zinc/23/51/36/823235136.db2.gz QOMYBSRWGWYXML-UHFFFAOYSA-N 1 1 377.423 4.192 20 0 GIADMO Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)s2)cn1 ZINC000459642420 823236073 /nfs/dbraw/zinc/23/60/73/823236073.db2.gz BRLOEYHNVYAUBL-QGZVFWFLSA-N 1 1 399.482 4.330 20 0 GIADMO COc1cc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459644246 823236771 /nfs/dbraw/zinc/23/67/71/823236771.db2.gz DIBNSPOHDDKVDZ-GOSISDBHSA-N 1 1 387.442 4.193 20 0 GIADMO CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459658103 823242434 /nfs/dbraw/zinc/24/24/34/823242434.db2.gz IVSNDSYWFNDOLS-SFHVURJKSA-N 1 1 399.453 4.433 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650394 823239154 /nfs/dbraw/zinc/23/91/54/823239154.db2.gz XTQJIAPDPRGSNJ-IBGZPJMESA-N 1 1 399.453 4.469 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650394 823239158 /nfs/dbraw/zinc/23/91/58/823239158.db2.gz XTQJIAPDPRGSNJ-IBGZPJMESA-N 1 1 399.453 4.469 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)CC12CCOCC2 ZINC000459652848 823240126 /nfs/dbraw/zinc/24/01/26/823240126.db2.gz QXHVNCFVEPAJNR-HUUCEWRRSA-N 1 1 390.471 4.176 20 0 GIADMO CSc1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459653847 823240231 /nfs/dbraw/zinc/24/02/31/823240231.db2.gz DNZBYNOPNHSJJV-KRWDZBQOSA-N 1 1 389.483 4.468 20 0 GIADMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)o1 ZINC000459655808 823241435 /nfs/dbraw/zinc/24/14/35/823241435.db2.gz VFDDVOOSRWTACI-MRXNPFEDSA-N 1 1 383.414 4.159 20 0 GIADMO O=C(N[C@H](C1CC1)C(F)(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000571835588 823242197 /nfs/dbraw/zinc/24/21/97/823242197.db2.gz BCFRJUJXIRDKFQ-UYAOXDASSA-N 1 1 395.469 4.025 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)no2)cc1 ZINC000121751985 823243230 /nfs/dbraw/zinc/24/32/30/823243230.db2.gz OMXPWJRVNNWDPS-HKUYNNGSSA-N 1 1 397.475 4.207 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)no2)cc1 ZINC000121751985 823243233 /nfs/dbraw/zinc/24/32/33/823243233.db2.gz OMXPWJRVNNWDPS-HKUYNNGSSA-N 1 1 397.475 4.207 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000057047398 823243278 /nfs/dbraw/zinc/24/32/78/823243278.db2.gz AQSLUXOCZAXQQE-OAQYLSRUSA-N 1 1 386.580 4.476 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000188465569 823244831 /nfs/dbraw/zinc/24/48/31/823244831.db2.gz NRLBTUXEACUOHV-AWEZNQCLSA-N 1 1 395.425 4.083 20 0 GIADMO COCCOc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2OC)cc1OC ZINC000188465474 823244891 /nfs/dbraw/zinc/24/48/91/823244891.db2.gz MQXFGDLFQRPMOB-CQSZACIVSA-N 1 1 379.884 4.233 20 0 GIADMO COCCOc1ccc([C@H](C)[NH2+]Cc2c(Cl)cccc2OC)cc1OC ZINC000188465451 823244928 /nfs/dbraw/zinc/24/49/28/823244928.db2.gz MQXFGDLFQRPMOB-AWEZNQCLSA-N 1 1 379.884 4.233 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459672997 823247628 /nfs/dbraw/zinc/24/76/28/823247628.db2.gz LNMMQMMVTVLLBP-AAIMPIBUSA-N 1 1 390.527 4.105 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459672997 823247636 /nfs/dbraw/zinc/24/76/36/823247636.db2.gz LNMMQMMVTVLLBP-AAIMPIBUSA-N 1 1 390.527 4.105 20 0 GIADMO Cc1c(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cccc1-c1ncco1 ZINC000571855849 823246615 /nfs/dbraw/zinc/24/66/15/823246615.db2.gz UIVZEWIQKPUZSD-LJQANCHMSA-N 1 1 390.487 4.436 20 0 GIADMO O=C(CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000459670516 823246898 /nfs/dbraw/zinc/24/68/98/823246898.db2.gz JXWZSOSMZJGHRP-IFMALSPDSA-N 1 1 376.500 4.183 20 0 GIADMO O=C(CC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21)Nc1ccccc1-c1ccccc1 ZINC000459670523 823246909 /nfs/dbraw/zinc/24/69/09/823246909.db2.gz JXWZSOSMZJGHRP-RBBKRZOGSA-N 1 1 376.500 4.183 20 0 GIADMO CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000057128412 823252369 /nfs/dbraw/zinc/25/23/69/823252369.db2.gz MCJFHCUFILUDSO-UHFFFAOYSA-N 1 1 389.912 4.022 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(OC)c(Cl)c(OC)c2)c1 ZINC000459682094 823249752 /nfs/dbraw/zinc/24/97/52/823249752.db2.gz RZNAWBXALORWMY-UHFFFAOYSA-N 1 1 391.899 4.131 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(OC)c(Cl)c(OC)c2)CC1 ZINC000459681337 823249757 /nfs/dbraw/zinc/24/97/57/823249757.db2.gz RKISXTJQSVBFQF-UHFFFAOYSA-N 1 1 397.947 4.333 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@@H](C)c2ccccc2Cl)cn1 ZINC000057118140 823250552 /nfs/dbraw/zinc/25/05/52/823250552.db2.gz APCBNEBQHKYMHM-AWEZNQCLSA-N 1 1 383.883 4.132 20 0 GIADMO C[C@H]1C[C@H](NC(=O)C2(Cc3ccccc3F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000188494606 823250726 /nfs/dbraw/zinc/25/07/26/823250726.db2.gz WKCLDUPQLLJYTG-GHTZIAJQSA-N 1 1 380.507 4.318 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)Cc2cnccc2C(F)(F)F)CC1)CC1CC1 ZINC000571894562 823250761 /nfs/dbraw/zinc/25/07/61/823250761.db2.gz GTHCBWGWWAJWAS-UHFFFAOYSA-N 1 1 397.485 4.004 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)Cc2csc3ccccc23)cn1 ZINC000057126476 823251570 /nfs/dbraw/zinc/25/15/70/823251570.db2.gz CZZKRCHQXSMCAB-UHFFFAOYSA-N 1 1 391.500 4.132 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(Cl)cc1 ZINC000057128021 823251925 /nfs/dbraw/zinc/25/19/25/823251925.db2.gz HBKKSIZAIXQGRP-GOSISDBHSA-N 1 1 383.883 4.180 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(Br)n1 ZINC000188503074 823252230 /nfs/dbraw/zinc/25/22/30/823252230.db2.gz VTZAFWPMNXPMNU-UHFFFAOYSA-N 1 1 391.313 4.006 20 0 GIADMO CCOc1cc(CNCC(C)(C)[NH+]2CCCCC2)ccc1OCC(F)(F)F ZINC000409574113 823252326 /nfs/dbraw/zinc/25/23/26/823252326.db2.gz DPOGTQBBPOIOAR-UHFFFAOYSA-N 1 1 388.474 4.381 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057141158 823254211 /nfs/dbraw/zinc/25/42/11/823254211.db2.gz NWRZYVAOVXSRSS-NRFANRHFSA-N 1 1 388.515 4.340 20 0 GIADMO C[C@@H]1CCN(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000409583465 823254679 /nfs/dbraw/zinc/25/46/79/823254679.db2.gz ULGVJOBNBIKENX-OAHLLOKOSA-N 1 1 383.458 4.063 20 0 GIADMO C[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409584591 823254687 /nfs/dbraw/zinc/25/46/87/823254687.db2.gz LJDQWDVRMUNLJL-UONOGXRCSA-N 1 1 396.478 4.433 20 0 GIADMO C[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000409584591 823254688 /nfs/dbraw/zinc/25/46/88/823254688.db2.gz LJDQWDVRMUNLJL-UONOGXRCSA-N 1 1 396.478 4.433 20 0 GIADMO COc1cccc([C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057153382 823255806 /nfs/dbraw/zinc/25/58/06/823255806.db2.gz XINVQYRHXDSZOK-JTHBVZDNSA-N 1 1 378.516 4.271 20 0 GIADMO CC(=O)Nc1cccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C ZINC000188523507 823256069 /nfs/dbraw/zinc/25/60/69/823256069.db2.gz GSAGSHJDGJPVMP-QGZVFWFLSA-N 1 1 385.552 4.070 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571929682 823256096 /nfs/dbraw/zinc/25/60/96/823256096.db2.gz MGRSXAQLHRCVIC-XXBNENTESA-N 1 1 396.556 4.054 20 0 GIADMO Cc1ccc(-c2noc(C[NH2+][C@@H]3c4ccccc4CC34CCOCC4)n2)cc1 ZINC000571931697 823256597 /nfs/dbraw/zinc/25/65/97/823256597.db2.gz USLSQMMKWZCISF-OAQYLSRUSA-N 1 1 375.472 4.229 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459746488 823259451 /nfs/dbraw/zinc/25/94/51/823259451.db2.gz CAVFCFYMRABUPM-CRAIPNDOSA-N 1 1 385.533 4.202 20 0 GIADMO C[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)c1ccn(C)n1 ZINC000459749264 823260109 /nfs/dbraw/zinc/26/01/09/823260109.db2.gz KJDXZDVWASHXGE-NSHDSACASA-N 1 1 377.311 4.157 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459793578 823265591 /nfs/dbraw/zinc/26/55/91/823265591.db2.gz LDRVMZZEGKWGHJ-RPVQJOFSSA-N 1 1 375.513 4.278 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459793578 823265594 /nfs/dbraw/zinc/26/55/94/823265594.db2.gz LDRVMZZEGKWGHJ-RPVQJOFSSA-N 1 1 375.513 4.278 20 0 GIADMO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1)c1nccs1 ZINC000571988964 823266214 /nfs/dbraw/zinc/26/62/14/823266214.db2.gz KWHBBWBJYFSALR-LJQANCHMSA-N 1 1 386.565 4.245 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409629125 823266404 /nfs/dbraw/zinc/26/64/04/823266404.db2.gz GUTUPKCEDFBEAO-WOJBJXKFSA-N 1 1 393.522 4.366 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000057222983 823266642 /nfs/dbraw/zinc/26/66/42/823266642.db2.gz ZLXRBDDNYRZYQI-UHFFFAOYSA-N 1 1 389.484 4.184 20 0 GIADMO O=C(NC[C@H]1CCCC(F)(F)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000409630179 823266774 /nfs/dbraw/zinc/26/67/74/823266774.db2.gz DKVNJRFUQYHMOY-FQEVSTJZSA-N 1 1 393.522 4.162 20 0 GIADMO Cc1oc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1C1CC1 ZINC000571994590 823267064 /nfs/dbraw/zinc/26/70/64/823267064.db2.gz HKWKWUHZYCWNNX-KXBFYZLASA-N 1 1 382.508 4.377 20 0 GIADMO COc1cccc2c(N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc(C)nc12 ZINC000409642203 823271065 /nfs/dbraw/zinc/27/10/65/823271065.db2.gz RMOMMHHXAJERFI-QGZVFWFLSA-N 1 1 376.504 4.469 20 0 GIADMO C[NH+](C)[C@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1 ZINC000409643313 823271385 /nfs/dbraw/zinc/27/13/85/823271385.db2.gz BGJABAQIMIXTMS-WMZOPIPTSA-N 1 1 378.900 4.435 20 0 GIADMO O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000121896704 823272135 /nfs/dbraw/zinc/27/21/35/823272135.db2.gz 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GIADMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000021673108 818723915 /nfs/dbraw/zinc/72/39/15/818723915.db2.gz BAGBNSMLWYYHHO-HXUWFJFHSA-N 1 1 397.906 4.474 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000189106909 823358682 /nfs/dbraw/zinc/35/86/82/823358682.db2.gz IBPDYDGVSQTKMR-QGZVFWFLSA-N 1 1 382.470 4.265 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000021849884 818746939 /nfs/dbraw/zinc/74/69/39/818746939.db2.gz BDFVJSKBUZHRTL-SFHVURJKSA-N 1 1 381.520 4.145 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000021849884 818746946 /nfs/dbraw/zinc/74/69/46/818746946.db2.gz BDFVJSKBUZHRTL-SFHVURJKSA-N 1 1 381.520 4.145 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C[N@H+]1C1CC1 ZINC000177085514 823367547 /nfs/dbraw/zinc/36/75/47/823367547.db2.gz YLUAQUOGAUHMAU-FUHWJXTLSA-N 1 1 387.483 4.364 20 0 GIADMO Cc1ccccc1-c1nn(CN2CC[NH+](Cc3cccs3)CC2)c(=S)o1 ZINC000022365816 818797660 /nfs/dbraw/zinc/79/76/60/818797660.db2.gz RKEVVNPJABWDBE-UHFFFAOYSA-N 1 1 386.546 4.018 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCCC(F)(F)C1 ZINC000460362812 823364221 /nfs/dbraw/zinc/36/42/21/823364221.db2.gz ZSZKPUCJVLLKTD-RTBURBONSA-N 1 1 379.495 4.166 20 0 GIADMO CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412055781 823624605 /nfs/dbraw/zinc/62/46/05/823624605.db2.gz MNJMMCCAHYRGSW-MSOLQXFVSA-N 1 1 379.342 4.377 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)C(C)(C)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000409993132 823365267 /nfs/dbraw/zinc/36/52/67/823365267.db2.gz NHRXFHFOKASNPI-REWPJTCUSA-N 1 1 394.559 4.399 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@H+]2CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000022474561 818812712 /nfs/dbraw/zinc/81/27/12/818812712.db2.gz YKJLABUQGYPEDM-QFIPXVFZSA-N 1 1 392.499 4.299 20 0 GIADMO CCOc1ccc(-c2nc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)cs2)cc1 ZINC000409993692 823365452 /nfs/dbraw/zinc/36/54/52/823365452.db2.gz PWLCEKDBHDUKOA-MRXNPFEDSA-N 1 1 387.549 4.059 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000460353686 823361730 /nfs/dbraw/zinc/36/17/30/823361730.db2.gz ZZOWDVKFGGNYPJ-ACJLOTCBSA-N 1 1 388.309 4.174 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000460353686 823361737 /nfs/dbraw/zinc/36/17/37/823361737.db2.gz ZZOWDVKFGGNYPJ-ACJLOTCBSA-N 1 1 388.309 4.174 20 0 GIADMO COCCCOC1CC[NH+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000122561632 823372969 /nfs/dbraw/zinc/37/29/69/823372969.db2.gz NJXWJKPEEDRPFX-UHFFFAOYSA-N 1 1 390.568 4.389 20 0 GIADMO COc1ccc([C@H](CNC(=O)c2ccc(Cl)s2)[NH+]2CCCCC2)cc1 ZINC000022685600 818843690 /nfs/dbraw/zinc/84/36/90/818843690.db2.gz FUKKRLDHNVNXHU-INIZCTEOSA-N 1 1 378.925 4.367 20 0 GIADMO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)n(C(C)(C)C)n1 ZINC000122536145 823368837 /nfs/dbraw/zinc/36/88/37/823368837.db2.gz JBYNDFINWPAIGM-QFIPXVFZSA-N 1 1 394.494 4.403 20 0 GIADMO Cc1cccc(C[NH+]2CCN([C@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)c1 ZINC000022775922 818859391 /nfs/dbraw/zinc/85/93/91/818859391.db2.gz CXZVWOXBYFBRLD-LJQANCHMSA-N 1 1 376.504 4.232 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nc(-c3ccccc3F)no2)cc1 ZINC000189168649 823369286 /nfs/dbraw/zinc/36/92/86/823369286.db2.gz OXVNXDZGBDXFIK-CQSZACIVSA-N 1 1 377.423 4.221 20 0 GIADMO Brc1ccc2[nH]c(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)nc2c1 ZINC000460378868 823369502 /nfs/dbraw/zinc/36/95/02/823369502.db2.gz DFJVHVVAGXXHHW-HNNXBMFYSA-N 1 1 378.314 4.249 20 0 GIADMO Brc1ccc2nc(C[N@H+](C[C@@H]3CCCO3)C3CCCC3)[nH]c2c1 ZINC000460378868 823369507 /nfs/dbraw/zinc/36/95/07/823369507.db2.gz DFJVHVVAGXXHHW-HNNXBMFYSA-N 1 1 378.314 4.249 20 0 GIADMO Brc1ccc2nc(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)[nH]c2c1 ZINC000460378868 823369512 /nfs/dbraw/zinc/36/95/12/823369512.db2.gz DFJVHVVAGXXHHW-HNNXBMFYSA-N 1 1 378.314 4.249 20 0 GIADMO C[C@H](CNC(=O)c1ccccc1N(C)C(=O)c1cccs1)[N@H+]1CCCC[C@H]1C ZINC000058230926 823370200 /nfs/dbraw/zinc/37/02/00/823370200.db2.gz KCKIBIGRBBPZMZ-IAGOWNOFSA-N 1 1 399.560 4.017 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000022969516 818882008 /nfs/dbraw/zinc/88/20/08/818882008.db2.gz KFSJXMDEFZAAGT-UHFFFAOYSA-N 1 1 381.501 4.106 20 0 GIADMO COc1ccccc1C(C)(C)CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000058237464 823370676 /nfs/dbraw/zinc/37/06/76/823370676.db2.gz YQGLKGRBDKCFID-QUCCMNQESA-N 1 1 395.547 4.108 20 0 GIADMO COc1ccc(-c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000023290681 818921495 /nfs/dbraw/zinc/92/14/95/818921495.db2.gz YWVNVCZZXBVJDI-UHFFFAOYSA-N 1 1 379.529 4.137 20 0 GIADMO Cc1ccccc1NCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000058295745 823375701 /nfs/dbraw/zinc/37/57/01/823375701.db2.gz FBFFZCRBGKNFDF-HXUWFJFHSA-N 1 1 379.548 4.488 20 0 GIADMO CC[C@@]1(C)Oc2ccc(NC(=O)C3CCN(c4ccc(C)c[nH+]4)CC3)cc2O1 ZINC000189225934 823378618 /nfs/dbraw/zinc/37/86/18/823378618.db2.gz BNTRVKWTOYNTSZ-QFIPXVFZSA-N 1 1 381.476 4.143 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2c(F)cc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000177121777 823376467 /nfs/dbraw/zinc/37/64/67/823376467.db2.gz JVHFDCHKQPGRJQ-BBRMVZONSA-N 1 1 377.410 4.279 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)CCCSc3ccc(OC)cc3)sc2C1 ZINC000023802614 818985243 /nfs/dbraw/zinc/98/52/43/818985243.db2.gz SSGGQGIIPQMWTH-UHFFFAOYSA-N 1 1 391.562 4.041 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)CCCSc3ccc(OC)cc3)sc2C1 ZINC000023802614 818985246 /nfs/dbraw/zinc/98/52/46/818985246.db2.gz SSGGQGIIPQMWTH-UHFFFAOYSA-N 1 1 391.562 4.041 20 0 GIADMO COc1cccc(C[N@@H+](C)CCCc2cncn2C)c1OCc1ccccc1F ZINC000572659266 823377662 /nfs/dbraw/zinc/37/76/62/823377662.db2.gz AHZQROCEAOYFKR-UHFFFAOYSA-N 1 1 397.494 4.211 20 0 GIADMO Cc1ccccc1CNC(=O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000024239375 819038781 /nfs/dbraw/zinc/03/87/81/819038781.db2.gz OQTQQSSEMRZIBE-UHFFFAOYSA-N 1 1 379.548 4.488 20 0 GIADMO COc1cc(C[N@@H+](C)Cn2cnc3cc(F)c(F)cc32)ccc1OC(F)F ZINC000024374018 819052409 /nfs/dbraw/zinc/05/24/09/819052409.db2.gz WNUFRTMYQPRMQS-UHFFFAOYSA-N 1 1 383.345 4.014 20 0 GIADMO CC[N@@H+](CC1(SC)CCC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000572688314 823383041 /nfs/dbraw/zinc/38/30/41/823383041.db2.gz HQBKGPUJSSRWBM-UHFFFAOYSA-N 1 1 376.614 4.485 20 0 GIADMO Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1C ZINC000177153905 823385256 /nfs/dbraw/zinc/38/52/56/823385256.db2.gz PSHIXYOIJLNULP-NRFANRHFSA-N 1 1 378.472 4.071 20 0 GIADMO Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1C ZINC000177153905 823385263 /nfs/dbraw/zinc/38/52/63/823385263.db2.gz PSHIXYOIJLNULP-NRFANRHFSA-N 1 1 378.472 4.071 20 0 GIADMO O[C@H](C[N@@H+](Cc1ccccc1)Cc1cncc(Br)c1)c1ccco1 ZINC000177157333 823386412 /nfs/dbraw/zinc/38/64/12/823386412.db2.gz ZCAKUTRBDJPQHI-GOSISDBHSA-N 1 1 387.277 4.173 20 0 GIADMO C[C@H](OC[C@@H](O)C[NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000572713750 823387488 /nfs/dbraw/zinc/38/74/88/823387488.db2.gz AHYLXJFGTYATHV-KXBFYZLASA-N 1 1 386.879 4.223 20 0 GIADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000177167258 823389214 /nfs/dbraw/zinc/38/92/14/823389214.db2.gz LUYJLUJRDQWBCJ-OAHLLOKOSA-N 1 1 383.517 4.468 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)Sc2ccc(Br)cc2)CC[N@H+]1C ZINC000122674299 823392014 /nfs/dbraw/zinc/39/20/14/823392014.db2.gz BAEWZARZXMDHBS-ZFWWWQNUSA-N 1 1 399.398 4.261 20 0 GIADMO COc1cccc([C@@H](C)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410101588 823391996 /nfs/dbraw/zinc/39/19/96/823391996.db2.gz KWSSZZPEHLJBBB-JPYJTQIMSA-N 1 1 394.559 4.388 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NCC2CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000410102378 823392155 /nfs/dbraw/zinc/39/21/55/823392155.db2.gz BVLMOEKNVJTRBG-APWZRJJASA-N 1 1 379.495 4.164 20 0 GIADMO COc1ccc2[nH]c(C(=O)NC[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cc2c1 ZINC000189323499 823393997 /nfs/dbraw/zinc/39/39/97/823393997.db2.gz JEIUWECSDPDPMV-JLTOFOAXSA-N 1 1 383.517 4.051 20 0 GIADMO Cc1cc(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)nn1C(C)(C)C ZINC000410099516 823390959 /nfs/dbraw/zinc/39/09/59/823390959.db2.gz FOJISOKMFSQARQ-OAQYLSRUSA-N 1 1 396.579 4.149 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000410099757 823391176 /nfs/dbraw/zinc/39/11/76/823391176.db2.gz MOPCBXNGUCGCMZ-IBGZPJMESA-N 1 1 392.902 4.174 20 0 GIADMO Cc1nc(-c2ccc(C(=O)N(C)CCC[N@@H+](C)Cc3ccncc3)cc2)cs1 ZINC000572764324 823394453 /nfs/dbraw/zinc/39/44/53/823394453.db2.gz QUMNBGJVIGSRMB-UHFFFAOYSA-N 1 1 394.544 4.108 20 0 GIADMO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(F)c2)c(F)c1 ZINC000122688486 823394792 /nfs/dbraw/zinc/39/47/92/823394792.db2.gz VLZXZXRHIWAMJG-HOCLYGCPSA-N 1 1 388.458 4.195 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1Cl ZINC000189347553 823398537 /nfs/dbraw/zinc/39/85/37/823398537.db2.gz DSDKOCYZEGBPFI-HNNXBMFYSA-N 1 1 378.925 4.073 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1Cl ZINC000189347553 823398544 /nfs/dbraw/zinc/39/85/44/823398544.db2.gz DSDKOCYZEGBPFI-HNNXBMFYSA-N 1 1 378.925 4.073 20 0 GIADMO O=C(NCc1ccncc1)Nc1cccc(C[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000189338370 823396725 /nfs/dbraw/zinc/39/67/25/823396725.db2.gz ZJRFLFKIWDGIBK-UHFFFAOYSA-N 1 1 398.869 4.486 20 0 GIADMO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000410131604 823398134 /nfs/dbraw/zinc/39/81/34/823398134.db2.gz RIUFXRZLTDQQSF-HFTRVMKXSA-N 1 1 383.458 4.140 20 0 GIADMO Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000410134944 823399045 /nfs/dbraw/zinc/39/90/45/823399045.db2.gz COYDTORZPZBOJG-VTXGNWFNSA-N 1 1 392.543 4.280 20 0 GIADMO Cc1ccccc1[C@H]1C[C@H](NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000410134944 823399052 /nfs/dbraw/zinc/39/90/52/823399052.db2.gz COYDTORZPZBOJG-VTXGNWFNSA-N 1 1 392.543 4.280 20 0 GIADMO CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H](O)Cc1ccccc1 ZINC000177211197 823400346 /nfs/dbraw/zinc/40/03/46/823400346.db2.gz USWHBKYXVYPYSM-KRWDZBQOSA-N 1 1 385.895 4.206 20 0 GIADMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000058525551 823403782 /nfs/dbraw/zinc/40/37/82/823403782.db2.gz JRRBOTSVEHEBOM-UTKZUKDTSA-N 1 1 384.495 4.061 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2cc3sccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189363718 823401417 /nfs/dbraw/zinc/40/14/17/823401417.db2.gz CVMCETMXMFZCSO-SGTLLEGYSA-N 1 1 391.899 4.445 20 0 GIADMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(OC)cc1OC ZINC000058523885 823403835 /nfs/dbraw/zinc/40/38/35/823403835.db2.gz JUSTVTRULBUBJN-CTNGQTDRSA-N 1 1 382.504 4.301 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000410154660 823403879 /nfs/dbraw/zinc/40/38/79/823403879.db2.gz OVZZJGRTOBHHNH-SJLPKXTDSA-N 1 1 390.911 4.352 20 0 GIADMO C[NH+]1CCC(CNC(=O)C(C)(C)CCCc2ccccc2)(N2CCCCC2)CC1 ZINC000460483600 823404063 /nfs/dbraw/zinc/40/40/63/823404063.db2.gz RPJQEWNAJQAGRX-UHFFFAOYSA-N 1 1 399.623 4.102 20 0 GIADMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058539291 823406209 /nfs/dbraw/zinc/40/62/09/823406209.db2.gz CLKMWMMHTZUZJW-LEWJYISDSA-N 1 1 391.475 4.469 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000572827805 823406272 /nfs/dbraw/zinc/40/62/72/823406272.db2.gz JDQWYTZXCFBQAO-UHFFFAOYSA-N 1 1 387.480 4.136 20 0 GIADMO Cc1nc(C(C)(C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)sc1C ZINC000572831602 823407008 /nfs/dbraw/zinc/40/70/08/823407008.db2.gz YNBKBCCOVXBHSF-HNNXBMFYSA-N 1 1 381.904 4.183 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(F)c1F ZINC000177241309 823407996 /nfs/dbraw/zinc/40/79/96/823407996.db2.gz CTSPBYKWKDCDLA-INIZCTEOSA-N 1 1 376.422 4.088 20 0 GIADMO Clc1cccc(Cl)c1-c1nnc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)o1 ZINC000572838561 823408086 /nfs/dbraw/zinc/40/80/86/823408086.db2.gz CODNQKHVWNYADT-DOMZBBRYSA-N 1 1 382.291 4.434 20 0 GIADMO COCCc1ccccc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000189413858 823411030 /nfs/dbraw/zinc/41/10/30/823411030.db2.gz XSCQPSNFYUDYLD-LJQANCHMSA-N 1 1 381.520 4.004 20 0 GIADMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cnn(Cc3ccc(F)cc3)c1)CCO2 ZINC000189414949 823411335 /nfs/dbraw/zinc/41/13/35/823411335.db2.gz LALQNXOTQMJSIX-OAQYLSRUSA-N 1 1 381.451 4.083 20 0 GIADMO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccccc3Br)s2)c1 ZINC000189407573 823410050 /nfs/dbraw/zinc/41/00/50/823410050.db2.gz ZEKURJXMHZCDPA-UHFFFAOYSA-N 1 1 391.290 4.159 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3cc4ccccc4[nH]3)cc2)C1 ZINC000058562458 823410082 /nfs/dbraw/zinc/41/00/82/823410082.db2.gz NPFSTNZFMQUEER-GOSISDBHSA-N 1 1 390.531 4.399 20 0 GIADMO CCc1ccc([C@H](COC)NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000122774696 823410193 /nfs/dbraw/zinc/41/01/93/823410193.db2.gz KUYRHGFKSFSFAC-QRWLVFNGSA-N 1 1 396.491 4.084 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2csc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000189411008 823410373 /nfs/dbraw/zinc/41/03/73/823410373.db2.gz REZRVVVBQKGSMA-UKRRQHHQSA-N 1 1 397.466 4.287 20 0 GIADMO Cc1cccn2cc(COc3ccc(C[N@H+]4CCC[C@]4(C)CCCO)cc3)nc12 ZINC000572887692 823414452 /nfs/dbraw/zinc/41/44/52/823414452.db2.gz XVQBIKYOOHHBQF-XMMPIXPASA-N 1 1 393.531 4.349 20 0 GIADMO Cc1cc(NCCCOC[C@H]2CCOC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000572893346 823415425 /nfs/dbraw/zinc/41/54/25/823415425.db2.gz AGLZFFDDHRWVOG-CQSZACIVSA-N 1 1 384.398 4.297 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2ccc(Cl)cc2Cl)CC1 ZINC000189445990 823418468 /nfs/dbraw/zinc/41/84/68/823418468.db2.gz SDYVVNICXXRQGA-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO Cc1ccc(C[C@H](C)NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000460528935 823420832 /nfs/dbraw/zinc/42/08/32/823420832.db2.gz NUMQITCJZKCZFX-YYWHXJBOSA-N 1 1 397.588 4.151 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000122890142 823429323 /nfs/dbraw/zinc/42/93/23/823429323.db2.gz ANWFEBOYXNOCNO-IBGZPJMESA-N 1 1 388.471 4.120 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000572956251 823426597 /nfs/dbraw/zinc/42/65/97/823426597.db2.gz QOCOTJBSJYWFGK-XXBNENTESA-N 1 1 392.547 4.155 20 0 GIADMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1OC(F)F ZINC000122871593 823426830 /nfs/dbraw/zinc/42/68/30/823426830.db2.gz DDJGUCRKHUGOEZ-MRXNPFEDSA-N 1 1 390.430 4.147 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000177304619 823427274 /nfs/dbraw/zinc/42/72/74/823427274.db2.gz LKNMIHHJSMFJBR-VQIMIIECSA-N 1 1 397.485 4.414 20 0 GIADMO Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)n[nH]2)c(C)c1 ZINC000189483030 823427455 /nfs/dbraw/zinc/42/74/55/823427455.db2.gz LHHUWOBGUXDSJN-UHFFFAOYSA-N 1 1 392.503 4.023 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000189487217 823428152 /nfs/dbraw/zinc/42/81/52/823428152.db2.gz ONZUCUFTMYCKKF-AEFFLSMTSA-N 1 1 382.470 4.217 20 0 GIADMO CC[C@@H](CNC(=O)N(C)[C@@H](CC)c1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000122882160 823428423 /nfs/dbraw/zinc/42/84/23/823428423.db2.gz BKCVKKTYVGHBKZ-VXKWHMMOSA-N 1 1 380.536 4.011 20 0 GIADMO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189487664 823428468 /nfs/dbraw/zinc/42/84/68/823428468.db2.gz CBQBFRAFXGZWLK-JXFKEZNVSA-N 1 1 392.971 4.387 20 0 GIADMO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189487664 823428470 /nfs/dbraw/zinc/42/84/70/823428470.db2.gz CBQBFRAFXGZWLK-JXFKEZNVSA-N 1 1 392.971 4.387 20 0 GIADMO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Br)c(Cl)c1 ZINC000189512853 823434408 /nfs/dbraw/zinc/43/44/08/823434408.db2.gz STPOWEPSNRUMBT-NRFANRHFSA-N 1 1 386.742 4.472 20 0 GIADMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Br)c(Cl)c1 ZINC000189512853 823434410 /nfs/dbraw/zinc/43/44/10/823434410.db2.gz STPOWEPSNRUMBT-NRFANRHFSA-N 1 1 386.742 4.472 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ncc(-c2cccc(Br)c2)o1 ZINC000177314922 823430419 /nfs/dbraw/zinc/43/04/19/823430419.db2.gz LEHUBJUYOPUZJO-SJORKVTESA-N 1 1 390.325 4.163 20 0 GIADMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000122896667 823430707 /nfs/dbraw/zinc/43/07/07/823430707.db2.gz FVACWJJFAWXEPU-HZPDHXFCSA-N 1 1 386.542 4.323 20 0 GIADMO COc1cc(C[NH2+]Cc2ccc(Br)o2)ccc1OCC(F)(F)F ZINC000189506985 823433407 /nfs/dbraw/zinc/43/34/07/823433407.db2.gz USGWGHSPUQNGCQ-UHFFFAOYSA-N 1 1 394.187 4.282 20 0 GIADMO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024665224 819861636 /nfs/dbraw/zinc/86/16/36/819861636.db2.gz UJYYTHBBHCGDKP-HNNXBMFYSA-N 1 1 378.407 4.397 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1F ZINC000024667748 819862412 /nfs/dbraw/zinc/86/24/12/819862412.db2.gz ABWZINNNKIXSOC-HZPDHXFCSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1F ZINC000024667748 819862417 /nfs/dbraw/zinc/86/24/17/819862417.db2.gz ABWZINNNKIXSOC-HZPDHXFCSA-N 1 1 381.451 4.482 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024667780 819862654 /nfs/dbraw/zinc/86/26/54/819862654.db2.gz QWNMOIDRLADAKW-DLBZAZTESA-N 1 1 393.487 4.433 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024667780 819862667 /nfs/dbraw/zinc/86/26/67/819862667.db2.gz QWNMOIDRLADAKW-DLBZAZTESA-N 1 1 393.487 4.433 20 0 GIADMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2SC)cc1OC ZINC000024798849 819878287 /nfs/dbraw/zinc/87/82/87/819878287.db2.gz VOFVZOCACSIZIX-OAHLLOKOSA-N 1 1 388.533 4.193 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2SC)cc1OC ZINC000024798849 819878298 /nfs/dbraw/zinc/87/82/98/819878298.db2.gz VOFVZOCACSIZIX-OAHLLOKOSA-N 1 1 388.533 4.193 20 0 GIADMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000024806431 819879469 /nfs/dbraw/zinc/87/94/69/819879469.db2.gz OBLXGQXKDHEGLG-INIZCTEOSA-N 1 1 393.487 4.019 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc3ncccc32)cc1OC ZINC000024806431 819879477 /nfs/dbraw/zinc/87/94/77/819879477.db2.gz OBLXGQXKDHEGLG-INIZCTEOSA-N 1 1 393.487 4.019 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000024855585 819884531 /nfs/dbraw/zinc/88/45/31/819884531.db2.gz IBWTXAUKHACAOW-UHFFFAOYSA-N 1 1 396.878 4.241 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)C2 ZINC000573051279 823440547 /nfs/dbraw/zinc/44/05/47/823440547.db2.gz IGIADELVRQTQFU-UHFFFAOYSA-N 1 1 375.415 4.353 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(OC)c(OC(F)F)c1)C2 ZINC000573051279 823440551 /nfs/dbraw/zinc/44/05/51/823440551.db2.gz IGIADELVRQTQFU-UHFFFAOYSA-N 1 1 375.415 4.353 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2)C[C@H](C)O1 ZINC000025057970 819917687 /nfs/dbraw/zinc/91/76/87/819917687.db2.gz FEDDUDVOVIIXLZ-FUHIMQAGSA-N 1 1 384.545 4.335 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2)C[C@H](C)O1 ZINC000025057970 819917691 /nfs/dbraw/zinc/91/76/91/819917691.db2.gz FEDDUDVOVIIXLZ-FUHIMQAGSA-N 1 1 384.545 4.335 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccnc2-c2ccc(Cl)s2)CC[N@H+]1C ZINC000189527754 823437938 /nfs/dbraw/zinc/43/79/38/823437938.db2.gz IAGCXUZIYIETFM-OLZOCXBDSA-N 1 1 378.929 4.410 20 0 GIADMO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)Sc3ccc(C)cc3)CC2)cc1 ZINC000025081613 819923084 /nfs/dbraw/zinc/92/30/84/819923084.db2.gz UPVTXZURYSJLEV-LJQANCHMSA-N 1 1 398.572 4.219 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](C)Sc3ccc(C)cc3)CC2)cc1 ZINC000025081613 819923088 /nfs/dbraw/zinc/92/30/88/819923088.db2.gz UPVTXZURYSJLEV-LJQANCHMSA-N 1 1 398.572 4.219 20 0 GIADMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2cccnc12 ZINC000025094100 819927368 /nfs/dbraw/zinc/92/73/68/819927368.db2.gz YXIBRLHKFFGFTJ-HDICACEKSA-N 1 1 389.499 4.405 20 0 GIADMO Cc1ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2cccnc12 ZINC000025094100 819927374 /nfs/dbraw/zinc/92/73/74/819927374.db2.gz YXIBRLHKFFGFTJ-HDICACEKSA-N 1 1 389.499 4.405 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)C[C@@H](C)O1 ZINC000025114680 819931777 /nfs/dbraw/zinc/93/17/77/819931777.db2.gz XZCIGRXDJDFIKY-IAGOWNOFSA-N 1 1 384.545 4.162 20 0 GIADMO 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399.494 4.056 20 0 GIADMO NC(=O)c1ccc(C[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C2CC2)cc1 ZINC000027908404 820295333 /nfs/dbraw/zinc/29/53/33/820295333.db2.gz QPXNHXFIZXEZIU-UHFFFAOYSA-N 1 1 399.494 4.056 20 0 GIADMO NC(=O)c1ccc(C[N@@H+](CCOc2ccc(Cl)cc2Cl)C2CC2)cc1 ZINC000027909028 820295576 /nfs/dbraw/zinc/29/55/76/820295576.db2.gz PXQCXGOMOAMKFR-UHFFFAOYSA-N 1 1 379.287 4.136 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+]1Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 ZINC000189654431 823468112 /nfs/dbraw/zinc/46/81/12/823468112.db2.gz KHGFZMYGSQCGBI-OAQYLSRUSA-N 1 1 387.549 4.181 20 0 GIADMO CC[C@]1(CO)CCC[N@H+]1Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 ZINC000189654431 823468114 /nfs/dbraw/zinc/46/81/14/823468114.db2.gz KHGFZMYGSQCGBI-OAQYLSRUSA-N 1 1 387.549 4.181 20 0 GIADMO COc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1F ZINC000410345754 823468747 /nfs/dbraw/zinc/46/87/47/823468747.db2.gz DPOJKIAQCITDNY-KRWDZBQOSA-N 1 1 399.510 4.208 20 0 GIADMO CO[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000410354367 823471488 /nfs/dbraw/zinc/47/14/88/823471488.db2.gz PNWXZQYOPGJIBG-XXBNENTESA-N 1 1 395.547 4.105 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2sccc2C1 ZINC000410348013 823469626 /nfs/dbraw/zinc/46/96/26/823469626.db2.gz GHCDISQSSDSIMN-KRWDZBQOSA-N 1 1 383.561 4.390 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028348070 820327437 /nfs/dbraw/zinc/32/74/37/820327437.db2.gz LWVHLJMNVKHUNB-CABCVRRESA-N 1 1 376.460 4.497 20 0 GIADMO COc1ccc([C@@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000028353725 820328615 /nfs/dbraw/zinc/32/86/15/820328615.db2.gz GPMPEHKFGHNRNV-QHCPKHFHSA-N 1 1 395.547 4.140 20 0 GIADMO COCCOCc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000573248446 823470429 /nfs/dbraw/zinc/47/04/29/823470429.db2.gz UBFHZQQOJLGLOF-UHFFFAOYSA-N 1 1 385.348 4.166 20 0 GIADMO COCCOCc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000573248446 823470433 /nfs/dbraw/zinc/47/04/33/823470433.db2.gz UBFHZQQOJLGLOF-UHFFFAOYSA-N 1 1 385.348 4.166 20 0 GIADMO CC[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028392382 820332205 /nfs/dbraw/zinc/33/22/05/820332205.db2.gz QHLASVBEMSYESC-VGSWGCGISA-N 1 1 383.511 4.365 20 0 GIADMO CCCOc1ccc(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000410350026 823470459 /nfs/dbraw/zinc/47/04/59/823470459.db2.gz AASDOGSOHWJXSC-UHFFFAOYSA-N 1 1 383.536 4.315 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3ccnn3C(C)C)ccc2c1 ZINC000028730733 820353856 /nfs/dbraw/zinc/35/38/56/820353856.db2.gz QUNWGPJBYNLMKE-INIZCTEOSA-N 1 1 380.492 4.085 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCc4sccc4C3)cc2)C1 ZINC000410358782 823473374 /nfs/dbraw/zinc/47/33/74/823473374.db2.gz IOVAFLQKEYESSV-KRWDZBQOSA-N 1 1 383.561 4.248 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCc3ccccc3C2)C1 ZINC000410359202 823473431 /nfs/dbraw/zinc/47/34/31/823473431.db2.gz LZQYKYICFDMGEV-IBGZPJMESA-N 1 1 377.532 4.186 20 0 GIADMO COc1cnccc1[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C 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GKQGAPHUUDMHHW-GOSISDBHSA-N 1 1 377.315 4.444 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1OCc1ccccc1Cl ZINC000058957830 823476091 /nfs/dbraw/zinc/47/60/91/823476091.db2.gz YBNRUVWLBKTLJM-MRXNPFEDSA-N 1 1 397.906 4.490 20 0 GIADMO CN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460680362 823476875 /nfs/dbraw/zinc/47/68/75/823476875.db2.gz XLVPMMVUYZYOQT-QRVBRYPASA-N 1 1 397.485 4.271 20 0 GIADMO O=C(C[NH+]1CCC(OCC2CCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000177497943 823476890 /nfs/dbraw/zinc/47/68/90/823476890.db2.gz XXDHEPZSTNETEF-UHFFFAOYSA-N 1 1 384.442 4.315 20 0 GIADMO COc1ccc(Cl)cc1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000410370516 823478133 /nfs/dbraw/zinc/47/81/33/823478133.db2.gz QVJNBSLDESPGJP-UHFFFAOYSA-N 1 1 389.927 4.188 20 0 GIADMO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177503454 823478296 /nfs/dbraw/zinc/47/82/96/823478296.db2.gz WJJSVNNIHCWJAP-INIZCTEOSA-N 1 1 376.566 4.407 20 0 GIADMO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000410388562 823483672 /nfs/dbraw/zinc/48/36/72/823483672.db2.gz KIVSMRLZVPNLRG-GOSISDBHSA-N 1 1 392.506 4.096 20 0 GIADMO COc1ccc(-c2cc(CO[NH+]=C(N)C34CC5CC(CC(C5)C3)C4)on2)cc1 ZINC000029384992 820448573 /nfs/dbraw/zinc/44/85/73/820448573.db2.gz RPSJGOGAUQSNNK-UHFFFAOYSA-N 1 1 381.476 4.355 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc(F)c3C)CC[N@H+]2C2CC2)c1 ZINC000189710493 823480018 /nfs/dbraw/zinc/48/00/18/823480018.db2.gz GYRVQVIEZDHJEJ-LEWJYISDSA-N 1 1 383.467 4.242 20 0 GIADMO Fc1ccc2c(c1)[nH]cc2C1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000410375557 823480383 /nfs/dbraw/zinc/48/03/83/823480383.db2.gz QGSZHFJKCOXXHP-UHFFFAOYSA-N 1 1 375.451 4.267 20 0 GIADMO Cc1ccc([C@@H](NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)C2CC2)cc1 ZINC000029481460 820460652 /nfs/dbraw/zinc/46/06/52/820460652.db2.gz VBDZEEFFQMYRFQ-JWQCQUIFSA-N 1 1 392.543 4.008 20 0 GIADMO CCOc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC000029655101 820494363 /nfs/dbraw/zinc/49/43/63/820494363.db2.gz BCGIOOXOIWQPLC-LBPRGKRZSA-N 1 1 378.266 4.427 20 0 GIADMO C[NH+](C)CCCC1CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000123235573 823482987 /nfs/dbraw/zinc/48/29/87/823482987.db2.gz MQKVYPGCQOPWHG-UHFFFAOYSA-N 1 1 379.548 4.346 20 0 GIADMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029686688 820497907 /nfs/dbraw/zinc/49/79/07/820497907.db2.gz IYTIJIPKPZOBAI-HOTGVXAUSA-N 1 1 396.922 4.016 20 0 GIADMO CNC(=O)c1ccc(C[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C2CC2)cc1 ZINC000029718618 820505937 /nfs/dbraw/zinc/50/59/37/820505937.db2.gz SWFMRFJYGOTWEG-UHFFFAOYSA-N 1 1 375.472 4.174 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C2CC2)cc1 ZINC000029718618 820505945 /nfs/dbraw/zinc/50/59/45/820505945.db2.gz SWFMRFJYGOTWEG-UHFFFAOYSA-N 1 1 375.472 4.174 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCc2ccccc2O)C1 ZINC000059286782 823489582 /nfs/dbraw/zinc/48/95/82/823489582.db2.gz IKIGHWIQKNUFQO-KDURUIRLSA-N 1 1 380.532 4.119 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460708198 823489590 /nfs/dbraw/zinc/48/95/90/823489590.db2.gz IBYGJBLTFPRHID-IBGZPJMESA-N 1 1 381.520 4.045 20 0 GIADMO CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000029828012 820526917 /nfs/dbraw/zinc/52/69/17/820526917.db2.gz DMSNQUAOQXMEQI-HNNXBMFYSA-N 1 1 381.501 4.368 20 0 GIADMO CSc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000029828012 820526923 /nfs/dbraw/zinc/52/69/23/820526923.db2.gz DMSNQUAOQXMEQI-HNNXBMFYSA-N 1 1 381.501 4.368 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029827140 820526970 /nfs/dbraw/zinc/52/69/70/820526970.db2.gz VXOWRBIBBGROKX-FQEVSTJZSA-N 1 1 391.515 4.444 20 0 GIADMO O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828721 820527461 /nfs/dbraw/zinc/52/74/61/820527461.db2.gz PEQWUTJPBDHLOO-NVXWUHKLSA-N 1 1 386.879 4.101 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830039 820527609 /nfs/dbraw/zinc/52/76/09/820527609.db2.gz MMJBGLMARJPCAK-JKSUJKDBSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830039 820527617 /nfs/dbraw/zinc/52/76/17/820527617.db2.gz MMJBGLMARJPCAK-JKSUJKDBSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc2c(CC(=O)NCCC[N@H+]3CCc4ccccc4C3)coc2c1C ZINC000029837590 820529329 /nfs/dbraw/zinc/52/93/29/820529329.db2.gz UTIOTTOXMSCPGA-UHFFFAOYSA-N 1 1 376.500 4.157 20 0 GIADMO O=C(CCc1ccc(-c2ccccc2)o1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029838268 820529435 /nfs/dbraw/zinc/52/94/35/820529435.db2.gz RGGWLFAFWNYVMU-UHFFFAOYSA-N 1 1 388.511 4.444 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)Cc1cn2ccccc2n1)C1CCCCC1 ZINC000029880266 820539409 /nfs/dbraw/zinc/53/94/09/820539409.db2.gz DZLUTKRQWJOTGK-UHFFFAOYSA-N 1 1 376.504 4.280 20 0 GIADMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1cc(F)cc(F)c1 ZINC000029936383 820550712 /nfs/dbraw/zinc/55/07/12/820550712.db2.gz DALKUJCVAGYKLL-IBGZPJMESA-N 1 1 376.403 4.483 20 0 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393.531 4.490 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000177845687 823535265 /nfs/dbraw/zinc/53/52/65/823535265.db2.gz YPPFZSLFMBGQHS-SJORKVTESA-N 1 1 376.932 4.031 20 0 GIADMO COc1ccc(OCCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000060547842 823540799 /nfs/dbraw/zinc/54/07/99/823540799.db2.gz SVXSZHJPAKEXJG-GOSISDBHSA-N 1 1 382.504 4.335 20 0 GIADMO CCN(C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[C@H]1CCOC(C)(C)C1 ZINC000460889571 823536362 /nfs/dbraw/zinc/53/63/62/823536362.db2.gz NORAKBPIIDOAFP-LEWJYISDSA-N 1 1 389.584 4.132 20 0 GIADMO C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CCN1C ZINC000123741917 823536521 /nfs/dbraw/zinc/53/65/21/823536521.db2.gz SQPHZIZBAHPNMB-MOPGFXCFSA-N 1 1 381.520 4.222 20 0 GIADMO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(Br)cc2Br)C1 ZINC000041651875 821215933 /nfs/dbraw/zinc/21/59/33/821215933.db2.gz ISGLRIQTWKEOIT-NWDGAFQWSA-N 1 1 390.163 4.204 20 0 GIADMO C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 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398.547 4.275 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(NC(N)=O)cc1)C1CCCCC1 ZINC000042012194 821254140 /nfs/dbraw/zinc/25/41/40/821254140.db2.gz JZTYQXCESQRTSK-UHFFFAOYSA-N 1 1 380.492 4.194 20 0 GIADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccccc1SC1CCCC1 ZINC000190118329 823539590 /nfs/dbraw/zinc/53/95/90/823539590.db2.gz POQWVRMFOHRUME-MRXNPFEDSA-N 1 1 391.581 4.030 20 0 GIADMO COc1ccc2c(c1)CCN2C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000060545138 823540343 /nfs/dbraw/zinc/54/03/43/823540343.db2.gz KUAMAMOKGJPDEY-GOSISDBHSA-N 1 1 393.531 4.199 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(F)c2cccnc12 ZINC000042122182 821269639 /nfs/dbraw/zinc/26/96/39/821269639.db2.gz PGEQQMWTQWBWIP-UHFFFAOYSA-N 1 1 381.451 4.233 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123783272 823540484 /nfs/dbraw/zinc/54/04/84/823540484.db2.gz GDTWAEGREBEENR-KBPBESRZSA-N 1 1 385.414 4.313 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123783272 823540485 /nfs/dbraw/zinc/54/04/85/823540485.db2.gz GDTWAEGREBEENR-KBPBESRZSA-N 1 1 385.414 4.313 20 0 GIADMO COc1ccc(C[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)cn1 ZINC000042202912 821283345 /nfs/dbraw/zinc/28/33/45/821283345.db2.gz DGCLPONCQCUZKL-UHFFFAOYSA-N 1 1 377.275 4.181 20 0 GIADMO COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)cn1 ZINC000042202911 821283473 /nfs/dbraw/zinc/28/34/73/821283473.db2.gz KRCJIYSQMWILMO-UHFFFAOYSA-N 1 1 391.302 4.240 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000042205959 821283862 /nfs/dbraw/zinc/28/38/62/821283862.db2.gz XVPZQTWWLUCZPH-UHFFFAOYSA-N 1 1 395.869 4.449 20 0 GIADMO CNC(=O)c1ccc(C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)cc1 ZINC000042225825 821288069 /nfs/dbraw/zinc/28/80/69/821288069.db2.gz YZHJBZGEBRNGML-UHFFFAOYSA-N 1 1 396.922 4.299 20 0 GIADMO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc(F)cc1 ZINC000042332629 821301555 /nfs/dbraw/zinc/30/15/55/821301555.db2.gz URWBQXDAHUGPAW-UHFFFAOYSA-N 1 1 377.463 4.055 20 0 GIADMO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccc(F)cc1 ZINC000042332629 821301563 /nfs/dbraw/zinc/30/15/63/821301563.db2.gz URWBQXDAHUGPAW-UHFFFAOYSA-N 1 1 377.463 4.055 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000042354225 821303463 /nfs/dbraw/zinc/30/34/63/821303463.db2.gz LYNFYRTVIBULSF-SLFFLAALSA-N 1 1 380.536 4.328 20 0 GIADMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cccs2)cc1F ZINC000042356277 821304048 /nfs/dbraw/zinc/30/40/48/821304048.db2.gz ZJSGKWXVHOBNLO-RHSMWYFYSA-N 1 1 376.497 4.080 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)C2CCC(C)CC2)c(C(F)(F)F)c1 ZINC000042475153 821308288 /nfs/dbraw/zinc/30/82/88/821308288.db2.gz OPWYUFSUYLYGHV-UHFFFAOYSA-N 1 1 385.430 4.113 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042657431 821321247 /nfs/dbraw/zinc/32/12/47/821321247.db2.gz RTKOGRMIOSWPBK-IERDGZPVSA-N 1 1 386.923 4.421 20 0 GIADMO CCCNC(=O)C1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000042685890 821324424 /nfs/dbraw/zinc/32/44/24/821324424.db2.gz WXHVOHKNFYGDAD-UHFFFAOYSA-N 1 1 377.941 4.202 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000042743651 821329826 /nfs/dbraw/zinc/32/98/26/821329826.db2.gz GLIVOHUEVINFFL-UHFFFAOYSA-N 1 1 378.501 4.241 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000042743651 821329834 /nfs/dbraw/zinc/32/98/34/821329834.db2.gz GLIVOHUEVINFFL-UHFFFAOYSA-N 1 1 378.501 4.241 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)on1 ZINC000043085740 821358827 /nfs/dbraw/zinc/35/88/27/821358827.db2.gz TVVBYOOQNWJFLM-IRXDYDNUSA-N 1 1 387.549 4.268 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000043085882 821359389 /nfs/dbraw/zinc/35/93/89/821359389.db2.gz ZOQOMWGUSWFAIT-QWHCGFSZSA-N 1 1 393.890 4.435 20 0 GIADMO CC(C)[C@@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1nc2ccccc2[nH]1 ZINC000043105569 821361495 /nfs/dbraw/zinc/36/14/95/821361495.db2.gz JYHWEFXRUUPFFL-YLJYHZDGSA-N 1 1 385.556 4.071 20 0 GIADMO O=C(Nc1cccc(Br)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043134476 821365619 /nfs/dbraw/zinc/36/56/19/821365619.db2.gz MFYFYGNRGCDUGF-UHFFFAOYSA-N 1 1 388.309 4.189 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000043159457 821370925 /nfs/dbraw/zinc/37/09/25/821370925.db2.gz QQNLGKHQQIKDEQ-UHFFFAOYSA-N 1 1 377.410 4.364 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC000043188150 821376306 /nfs/dbraw/zinc/37/63/06/821376306.db2.gz BAUHDDYIVSHBIM-UHFFFAOYSA-N 1 1 387.911 4.397 20 0 GIADMO CC(C)CO[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000180634023 821376454 /nfs/dbraw/zinc/37/64/54/821376454.db2.gz VQKANWFOVSGRNJ-QHCPKHFHSA-N 1 1 390.531 4.240 20 0 GIADMO O=C(Nc1cc(F)ccc1F)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043236090 821379154 /nfs/dbraw/zinc/37/91/54/821379154.db2.gz MEJCKVQQSSDYNR-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO O=C(Nc1cc(F)ccc1F)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000043236090 821379162 /nfs/dbraw/zinc/37/91/62/821379162.db2.gz MEJCKVQQSSDYNR-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043239380 821380002 /nfs/dbraw/zinc/38/00/02/821380002.db2.gz IMDAYUILRYZLGJ-AEFFLSMTSA-N 1 1 394.544 4.273 20 0 GIADMO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)o1 ZINC000180651329 821383025 /nfs/dbraw/zinc/38/30/25/821383025.db2.gz AVFWHBMEKSGAJU-KKSFZXQISA-N 1 1 383.467 4.073 20 0 GIADMO Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)o1 ZINC000180651348 821383262 /nfs/dbraw/zinc/38/32/62/821383262.db2.gz AVFWHBMEKSGAJU-IERDGZPVSA-N 1 1 383.467 4.073 20 0 GIADMO C[C@@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180660715 821386259 /nfs/dbraw/zinc/38/62/59/821386259.db2.gz XYAPGEOQDHCJIZ-AUSIDOKSSA-N 1 1 388.515 4.277 20 0 GIADMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 ZINC000043286099 821386997 /nfs/dbraw/zinc/38/69/97/821386997.db2.gz QDRUDBRHBBBRLO-UHFFFAOYSA-N 1 1 398.576 4.306 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1OC ZINC000043305274 821388669 /nfs/dbraw/zinc/38/86/69/821388669.db2.gz GFKAKYKXDHGUME-HSZRJFAPSA-N 1 1 390.483 4.482 20 0 GIADMO COCC[NH2+][C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000043303908 821388696 /nfs/dbraw/zinc/38/86/96/821388696.db2.gz ASRGFTRRRRJPGU-INIZCTEOSA-N 1 1 386.801 4.275 20 0 GIADMO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1OC ZINC000043305272 821388722 /nfs/dbraw/zinc/38/87/22/821388722.db2.gz LKPHAVFZQZKQIK-QFIPXVFZSA-N 1 1 394.446 4.313 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1 ZINC000180673555 821390686 /nfs/dbraw/zinc/39/06/86/821390686.db2.gz AVTRCJFSQVOSFW-XMSQKQJNSA-N 1 1 376.504 4.133 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)CCCc3ccccc3)CC2)oc1C ZINC000180678687 821393239 /nfs/dbraw/zinc/39/32/39/821393239.db2.gz HUCMKLMFUYXMNO-GOSISDBHSA-N 1 1 397.563 4.279 20 0 GIADMO COc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1Cl ZINC000043332017 821393855 /nfs/dbraw/zinc/39/38/55/821393855.db2.gz LLYMDYOTKLFFAO-UHFFFAOYSA-N 1 1 387.911 4.397 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000043357234 821397133 /nfs/dbraw/zinc/39/71/33/821397133.db2.gz MXPXTANYYIRPPE-UHFFFAOYSA-N 1 1 387.911 4.397 20 0 GIADMO Cc1c([C@@H](C)NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cnn1C ZINC000043390866 821401113 /nfs/dbraw/zinc/40/11/13/821401113.db2.gz HJEAMACDSHUHQT-MRXNPFEDSA-N 1 1 383.540 4.376 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccn2C2CCCC2)C[C@H](C)O1 ZINC000180713079 821412263 /nfs/dbraw/zinc/41/22/63/821412263.db2.gz VIPOBZYCTLZVQY-ROUUACIJSA-N 1 1 381.520 4.465 20 0 GIADMO C[C@@H]1C[C@@H](N[C@H](c2cnn(C)c2)c2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000180727058 821420244 /nfs/dbraw/zinc/42/02/44/821420244.db2.gz ITYUJMDXYMWNEB-DKLXNKCPSA-N 1 1 392.522 4.291 20 0 GIADMO CC(C)OCc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043544909 821424160 /nfs/dbraw/zinc/42/41/60/821424160.db2.gz YSUDXPOGHNPHIF-LJQANCHMSA-N 1 1 392.499 4.362 20 0 GIADMO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000180737647 821425684 /nfs/dbraw/zinc/42/56/84/821425684.db2.gz UEYREWTURZJHFV-MRXNPFEDSA-N 1 1 386.458 4.271 20 0 GIADMO O=C(C[NH2+]Cc1ccc(Oc2ccccc2)o1)Nc1ccc(F)c(F)c1F ZINC000180759786 821439185 /nfs/dbraw/zinc/43/91/85/821439185.db2.gz QVQYISRLEKSERA-UHFFFAOYSA-N 1 1 376.334 4.218 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180760414 821439328 /nfs/dbraw/zinc/43/93/28/821439328.db2.gz WVRQBMKZZRMZML-GKCIPKSASA-N 1 1 389.902 4.318 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180760414 821439335 /nfs/dbraw/zinc/43/93/35/821439335.db2.gz WVRQBMKZZRMZML-GKCIPKSASA-N 1 1 389.902 4.318 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000180765113 821441890 /nfs/dbraw/zinc/44/18/90/821441890.db2.gz AOUGRUNDZSIDHW-GOSISDBHSA-N 1 1 387.451 4.089 20 0 GIADMO CCc1nn(C)c(CC)c1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180774865 821448415 /nfs/dbraw/zinc/44/84/15/821448415.db2.gz DRVVHZYLILHDAJ-LJQANCHMSA-N 1 1 381.442 4.137 20 0 GIADMO CCc1nn(C)c(CC)c1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180774865 821448420 /nfs/dbraw/zinc/44/84/20/821448420.db2.gz DRVVHZYLILHDAJ-LJQANCHMSA-N 1 1 381.442 4.137 20 0 GIADMO Cc1ncc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1-c1ccccc1 ZINC000180803137 821466751 /nfs/dbraw/zinc/46/67/51/821466751.db2.gz KSTUXLXZZLUVBH-KRWDZBQOSA-N 1 1 389.425 4.233 20 0 GIADMO Cc1cc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)ccc1Cl ZINC000180822862 821481669 /nfs/dbraw/zinc/48/16/69/821481669.db2.gz RCMMHQJUZUCRNS-UHFFFAOYSA-N 1 1 380.941 4.015 20 0 GIADMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)c(OCc3cccc(C)c3)c(C)c2)C1 ZINC000180825418 821482365 /nfs/dbraw/zinc/48/23/65/821482365.db2.gz YYRPZPAXSVZNDC-HSZRJFAPSA-N 1 1 394.559 4.491 20 0 GIADMO c1sc(CCc2ccccc2)nc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180850568 821494614 /nfs/dbraw/zinc/49/46/14/821494614.db2.gz LQGCNBWNZGHYBI-SFHVURJKSA-N 1 1 393.560 4.234 20 0 GIADMO c1sc(CCc2ccccc2)nc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180850568 821494621 /nfs/dbraw/zinc/49/46/21/821494621.db2.gz LQGCNBWNZGHYBI-SFHVURJKSA-N 1 1 393.560 4.234 20 0 GIADMO Cc1sc2nc([C@H](C)[NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)nc(N)c2c1C ZINC000180855600 821496857 /nfs/dbraw/zinc/49/68/57/821496857.db2.gz KJVPWSKJQMIBDL-KBPBESRZSA-N 1 1 392.532 4.488 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C)c1 ZINC000180857030 821497527 /nfs/dbraw/zinc/49/75/27/821497527.db2.gz OGOPIVHQIZAHAK-IBGZPJMESA-N 1 1 395.551 4.137 20 0 GIADMO COc1ccc2cc(CNC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccc2c1 ZINC000180861892 821500253 /nfs/dbraw/zinc/50/02/53/821500253.db2.gz BEIYQFVJVFZXSC-DYESRHJHSA-N 1 1 395.547 4.301 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180864707 821501214 /nfs/dbraw/zinc/50/12/14/821501214.db2.gz TZZBSNYXJLRMML-KBPBESRZSA-N 1 1 385.430 4.360 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1C ZINC000044048562 821511254 /nfs/dbraw/zinc/51/12/54/821511254.db2.gz OHWSQXRGKRLSAL-LJQANCHMSA-N 1 1 388.899 4.031 20 0 GIADMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC)c(C)c1 ZINC000180894601 821520523 /nfs/dbraw/zinc/52/05/23/821520523.db2.gz UCLSYWDLMJBNCP-FOIQADDNSA-N 1 1 395.952 4.159 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000181005486 821587835 /nfs/dbraw/zinc/58/78/35/821587835.db2.gz SUHWMIFBJOTFRN-ZDUSSCGKSA-N 1 1 396.318 4.371 20 0 GIADMO CC(C)(CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000044487257 821592488 /nfs/dbraw/zinc/59/24/88/821592488.db2.gz OPMFFPGXSBSNLO-WMZOPIPTSA-N 1 1 382.470 4.308 20 0 GIADMO CS(=O)(=O)Cc1nc(C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)cs1 ZINC000181035995 821605012 /nfs/dbraw/zinc/60/50/12/821605012.db2.gz IVWOPKSFTQOKTN-SFHVURJKSA-N 1 1 398.981 4.362 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(-c2cccnc2)on1 ZINC000044552642 821607777 /nfs/dbraw/zinc/60/77/77/821607777.db2.gz WIZVSZIVDZRUGQ-KRWDZBQOSA-N 1 1 390.487 4.041 20 0 GIADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C(c2cccs2)c2cccs2)c1 ZINC000181050676 821611089 /nfs/dbraw/zinc/61/10/89/821611089.db2.gz KRIYLIQDMNIDIF-CYBMUJFWSA-N 1 1 392.571 4.158 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[N@H+]1CCc2ccccc2C1 ZINC000181114485 821641313 /nfs/dbraw/zinc/64/13/13/821641313.db2.gz ZTSKMQIMILFSRF-CYBMUJFWSA-N 1 1 399.445 4.069 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[N@@H+]1CCc2ccccc2C1 ZINC000181114485 821641316 /nfs/dbraw/zinc/64/13/16/821641316.db2.gz ZTSKMQIMILFSRF-CYBMUJFWSA-N 1 1 399.445 4.069 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[N@H+]1CCc2ccccc2C1 ZINC000181114485 821641322 /nfs/dbraw/zinc/64/13/22/821641322.db2.gz ZTSKMQIMILFSRF-CYBMUJFWSA-N 1 1 399.445 4.069 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)CC2)c1 ZINC000181123334 821647603 /nfs/dbraw/zinc/64/76/03/821647603.db2.gz ULPZWQPULPPTAG-UHFFFAOYSA-N 1 1 399.445 4.159 20 0 GIADMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c(Br)c1 ZINC000181146935 821662737 /nfs/dbraw/zinc/66/27/37/821662737.db2.gz DEUJUBAPBMABRJ-RDJZCZTQSA-N 1 1 375.266 4.002 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181147988 821664296 /nfs/dbraw/zinc/66/42/96/821664296.db2.gz ZVSYKXVOOQNJKH-OAQYLSRUSA-N 1 1 375.516 4.081 20 0 GIADMO CC(=O)N1CCc2cc(C(=O)[C@H](C)Nc3ccc([NH+]4CCCC4)cc3C)ccc21 ZINC000044831001 821669520 /nfs/dbraw/zinc/66/95/20/821669520.db2.gz LHCKDYDVOGKJHQ-KRWDZBQOSA-N 1 1 391.515 4.188 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000181161990 821672231 /nfs/dbraw/zinc/67/22/31/821672231.db2.gz RZRJIMNMWFJDOV-JOCHJYFZSA-N 1 1 389.543 4.471 20 0 GIADMO CCOc1ccc(-c2noc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)n2)cc1 ZINC000044872903 821675021 /nfs/dbraw/zinc/67/50/21/821675021.db2.gz GVMJCWJVMMZUFC-QFIPXVFZSA-N 1 1 393.487 4.081 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCCc2ccc3ccccc3c2)cc1 ZINC000181170518 821677166 /nfs/dbraw/zinc/67/71/66/821677166.db2.gz VAJTUZUOYUBYFO-UHFFFAOYSA-N 1 1 389.499 4.301 20 0 GIADMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000181185397 821684078 /nfs/dbraw/zinc/68/40/78/821684078.db2.gz KZHQXVDUHCXCEK-MRXNPFEDSA-N 1 1 380.444 4.031 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181187519 821684961 /nfs/dbraw/zinc/68/49/61/821684961.db2.gz NBYNLVUGTVPEDG-DYESRHJHSA-N 1 1 393.487 4.393 20 0 GIADMO Clc1ccc(-n2cc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)nn2)cc1 ZINC000181191737 821687715 /nfs/dbraw/zinc/68/77/15/821687715.db2.gz PZXIKAGOVMGDTQ-KKSFZXQISA-N 1 1 382.895 4.178 20 0 GIADMO Fc1ccc(C[N@@H+]2CCCN(Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000045003231 821688231 /nfs/dbraw/zinc/68/82/31/821688231.db2.gz GDSHOKVVDNPKKN-UHFFFAOYSA-N 1 1 388.437 4.278 20 0 GIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045014409 821691036 /nfs/dbraw/zinc/69/10/36/821691036.db2.gz QIQPPQMFZDQNTL-MOPGFXCFSA-N 1 1 382.470 4.398 20 0 GIADMO COc1ccccc1-c1nnc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000181207241 821697018 /nfs/dbraw/zinc/69/70/18/821697018.db2.gz WZARVCLFGJEATQ-QFBILLFUSA-N 1 1 379.460 4.003 20 0 GIADMO C[C@H]1C[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000181215564 821702312 /nfs/dbraw/zinc/70/23/12/821702312.db2.gz IOHYJGNOFQGFSS-PGRDOPGGSA-N 1 1 375.516 4.270 20 0 GIADMO CCOc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccncc2Cl)cc1 ZINC000181237350 821712902 /nfs/dbraw/zinc/71/29/02/821712902.db2.gz UUWHYJQVHHHIHM-UHFFFAOYSA-N 1 1 384.911 4.423 20 0 GIADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccncc2Cl)cc1 ZINC000181237350 821712910 /nfs/dbraw/zinc/71/29/10/821712910.db2.gz UUWHYJQVHHHIHM-UHFFFAOYSA-N 1 1 384.911 4.423 20 0 GIADMO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000181247830 821717836 /nfs/dbraw/zinc/71/78/36/821717836.db2.gz BLTCZNPGWCIXAS-KSFYIVLOSA-N 1 1 382.298 4.103 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)co2)cc1 ZINC000181282175 821733589 /nfs/dbraw/zinc/73/35/89/821733589.db2.gz YTLLLCJUSOVNKB-OAHLLOKOSA-N 1 1 393.443 4.158 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)nc2ccccc12 ZINC000181300272 821743275 /nfs/dbraw/zinc/74/32/75/821743275.db2.gz ODSNWRKDJMBBSQ-SFHVURJKSA-N 1 1 384.487 4.103 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H](C)c3cccc(N4CCOC4=O)c3)co2)cc1 ZINC000181315620 821754056 /nfs/dbraw/zinc/75/40/56/821754056.db2.gz DRGLPGZEZJXTBP-OAHLLOKOSA-N 1 1 393.443 4.158 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181341558 821772565 /nfs/dbraw/zinc/77/25/65/821772565.db2.gz BDCLCZQVTCKYGP-OAHLLOKOSA-N 1 1 379.435 4.458 20 0 GIADMO CC(C)c1cccc(-c2ccc(C(=O)N(C)CC[N@@H+](C)C3CCN(C)CC3)o2)c1 ZINC000181344054 821774471 /nfs/dbraw/zinc/77/44/71/821774471.db2.gz SZWMDRWWSROHPC-UHFFFAOYSA-N 1 1 397.563 4.168 20 0 GIADMO CC(C)c1cccc(-c2ccc(C(=O)N(C)CCN(C)C3CC[NH+](C)CC3)o2)c1 ZINC000181344054 821774479 /nfs/dbraw/zinc/77/44/79/821774479.db2.gz SZWMDRWWSROHPC-UHFFFAOYSA-N 1 1 397.563 4.168 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181346398 821776445 /nfs/dbraw/zinc/77/64/45/821776445.db2.gz PYURAJVYNXVRAW-OAHLLOKOSA-N 1 1 379.435 4.458 20 0 GIADMO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000181410767 821811244 /nfs/dbraw/zinc/81/12/44/821811244.db2.gz RDFYDJZEMSMNLW-KYNGSXCRSA-N 1 1 386.458 4.004 20 0 GIADMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)n[nH]1 ZINC000181426244 821820738 /nfs/dbraw/zinc/82/07/38/821820738.db2.gz FDSBDXMDDWATIP-GXSJLCMTSA-N 1 1 375.366 4.203 20 0 GIADMO CCc1ccc([C@@H]([NH2+][C@@H](C)c2cccnc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181428152 821821870 /nfs/dbraw/zinc/82/18/70/821821870.db2.gz MUMLXWDEFVCILM-GAJHUEQPSA-N 1 1 394.540 4.488 20 0 GIADMO COc1ccccc1[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccco1 ZINC000181434784 821825653 /nfs/dbraw/zinc/82/56/53/821825653.db2.gz GGOIHIYUHREVJQ-QHCPKHFHSA-N 1 1 377.488 4.027 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 ZINC000181437247 821826974 /nfs/dbraw/zinc/82/69/74/821826974.db2.gz NMLGLFSJXLMSFH-MRXNPFEDSA-N 1 1 389.229 4.187 20 0 GIADMO C[C@@H](NC(=O)c1cc(Br)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181450311 821831455 /nfs/dbraw/zinc/83/14/55/821831455.db2.gz DJVZKXFZCGFRGH-OLZOCXBDSA-N 1 1 399.760 4.485 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181453186 821832378 /nfs/dbraw/zinc/83/23/78/821832378.db2.gz MCAZRFDIBDTSDO-VQIMIIECSA-N 1 1 397.588 4.425 20 0 GIADMO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000181454046 821832967 /nfs/dbraw/zinc/83/29/67/821832967.db2.gz IEIBXVTVPCNILP-HNNXBMFYSA-N 1 1 386.517 4.096 20 0 GIADMO C[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C[C@@H]1CCCC[C@@H]1O ZINC000181461840 821837037 /nfs/dbraw/zinc/83/70/37/821837037.db2.gz CISSHSUHCURCQT-HOCLYGCPSA-N 1 1 379.298 4.087 20 0 GIADMO C[C@@H](NC(=O)CCc1cc(Br)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181471121 821841398 /nfs/dbraw/zinc/84/13/98/821841398.db2.gz MHRQDLBTZUNZCC-KGLIPLIRSA-N 1 1 399.398 4.212 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000181474578 821842113 /nfs/dbraw/zinc/84/21/13/821842113.db2.gz XHPAYBXOAGMETD-HSZRJFAPSA-N 1 1 389.499 4.335 20 0 GIADMO COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1OCC(C)C ZINC000181473981 821842143 /nfs/dbraw/zinc/84/21/43/821842143.db2.gz DGKCNVYLNFINCV-HKUYNNGSSA-N 1 1 388.552 4.113 20 0 GIADMO CC[C@H]1C[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCO1 ZINC000181495899 821853385 /nfs/dbraw/zinc/85/33/85/821853385.db2.gz GZNHHPHDLVSCFF-BEFAXECRSA-N 1 1 399.362 4.279 20 0 GIADMO C[C@@H](NC(=O)CCc1cccc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181507493 821858995 /nfs/dbraw/zinc/85/89/95/821858995.db2.gz KTQYAQJPRDDQLR-WBVHZDCISA-N 1 1 393.369 4.151 20 0 GIADMO C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181524589 821865871 /nfs/dbraw/zinc/86/58/71/821865871.db2.gz YZLSQBUUFQLSMB-UONOGXRCSA-N 1 1 385.335 4.141 20 0 GIADMO C[C@H](NC(=O)c1cnc(Cc2ccccc2)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181531424 821868983 /nfs/dbraw/zinc/86/89/83/821868983.db2.gz FTZRNLRXIXRKRZ-WMZOPIPTSA-N 1 1 383.561 4.117 20 0 GIADMO C[C@H](NC(=O)c1ccc(Br)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181544899 821875465 /nfs/dbraw/zinc/87/54/65/821875465.db2.gz QDOAAJSFEGPNHZ-QWHCGFSZSA-N 1 1 399.760 4.485 20 0 GIADMO C[C@H](NC(=O)c1cnc(-c2ccsc2)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181547140 821876014 /nfs/dbraw/zinc/87/60/14/821876014.db2.gz IEPIDYONKBOSEE-KBPBESRZSA-N 1 1 375.563 4.254 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Br)s1 ZINC000181555565 821879644 /nfs/dbraw/zinc/87/96/44/821879644.db2.gz UYRIXUZHVRKTPG-MELADBBJSA-N 1 1 399.398 4.383 20 0 GIADMO CCN(C(=O)C[NH2+][C@@H](c1nc(C)cs1)C1CC1)c1nc2ccccc2s1 ZINC000181600768 821897406 /nfs/dbraw/zinc/89/74/06/821897406.db2.gz MEEGQHKCRGAEHA-QGZVFWFLSA-N 1 1 386.546 4.155 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Br)c2)C2CC2)n1 ZINC000181618625 821906328 /nfs/dbraw/zinc/90/63/28/821906328.db2.gz WRGPPGDKWGODBJ-XHDPSFHLSA-N 1 1 394.338 4.282 20 0 GIADMO CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000181622512 821908404 /nfs/dbraw/zinc/90/84/04/821908404.db2.gz XQBUDJOOMNPJGI-LJQANCHMSA-N 1 1 396.503 4.092 20 0 GIADMO Cc1csc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC2)n1 ZINC000181624885 821909325 /nfs/dbraw/zinc/90/93/25/821909325.db2.gz FPPNVSJUYXOGSS-SFHVURJKSA-N 1 1 392.590 4.264 20 0 GIADMO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cccc1-c1ccccn1 ZINC000181664049 821931075 /nfs/dbraw/zinc/93/10/75/821931075.db2.gz UDQPHAGUARVMKM-MOPGFXCFSA-N 1 1 377.532 4.440 20 0 GIADMO Cc1nc(C[NH2+]C(C)(C)COc2ccc(C(F)(F)F)cn2)nc2ccccc12 ZINC000181665477 821931811 /nfs/dbraw/zinc/93/18/11/821931811.db2.gz UOIYHCLNPJRRJU-UHFFFAOYSA-N 1 1 390.409 4.299 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 ZINC000181703045 821950488 /nfs/dbraw/zinc/95/04/88/821950488.db2.gz JABYDPGBENFANZ-OAQYLSRUSA-N 1 1 376.456 4.395 20 0 GIADMO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000181709978 821953665 /nfs/dbraw/zinc/95/36/65/821953665.db2.gz PJJNAZAOFJEASX-INIZCTEOSA-N 1 1 397.544 4.359 20 0 GIADMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181739178 821970009 /nfs/dbraw/zinc/97/00/09/821970009.db2.gz BMWBCBWKASEZCD-NRFANRHFSA-N 1 1 396.579 4.478 20 0 GIADMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1 ZINC000181764689 821982303 /nfs/dbraw/zinc/98/23/03/821982303.db2.gz IJKXJSWUMFOYHS-HNNXBMFYSA-N 1 1 393.441 4.495 20 0 GIADMO c1cn(Cc2ccccc2)c(CCNc2nnc(Cc3ccccc3)s2)[nH+]1 ZINC000181782964 821990014 /nfs/dbraw/zinc/99/00/14/821990014.db2.gz PFNPRYAETAFNIZ-UHFFFAOYSA-N 1 1 375.501 4.028 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181828080 822009288 /nfs/dbraw/zinc/00/92/88/822009288.db2.gz VFOSVMULXOEPFO-FQEVSTJZSA-N 1 1 382.504 4.169 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cs1 ZINC000181873971 822022994 /nfs/dbraw/zinc/02/29/94/822022994.db2.gz SNJGHVROFSIBEC-INIZCTEOSA-N 1 1 399.482 4.327 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)n2)cc1F ZINC000181873281 822023085 /nfs/dbraw/zinc/02/30/85/822023085.db2.gz DBRICMCDFXSAAZ-CABCVRRESA-N 1 1 392.438 4.177 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000181917389 822036186 /nfs/dbraw/zinc/03/61/86/822036186.db2.gz ZEFKMXQFNXYBBP-NSHDSACASA-N 1 1 392.297 4.351 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1cccc(F)c1F ZINC000182001704 822058874 /nfs/dbraw/zinc/05/88/74/822058874.db2.gz AVNAWKIRPVGREU-OAHLLOKOSA-N 1 1 395.453 4.413 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccc(-n2ccnn2)cc1 ZINC000182010114 822061307 /nfs/dbraw/zinc/06/13/07/822061307.db2.gz MBUHBMDSDJQPQB-ZDUSSCGKSA-N 1 1 381.386 4.051 20 0 GIADMO C[C@H](CNC(=O)CC1CCC(C(F)(F)F)CC1)[N@@H+]1CCc2sccc2C1 ZINC000182018332 822064355 /nfs/dbraw/zinc/06/43/55/822064355.db2.gz LVGCTONZCMDYDJ-VQCLRJIVSA-N 1 1 388.499 4.370 20 0 GIADMO C[C@H](CNC(=O)CC1CCC(C(F)(F)F)CC1)[N@H+]1CCc2sccc2C1 ZINC000182018332 822064363 /nfs/dbraw/zinc/06/43/63/822064363.db2.gz LVGCTONZCMDYDJ-VQCLRJIVSA-N 1 1 388.499 4.370 20 0 GIADMO Cc1cc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1Oc1cccnc1 ZINC000182090506 822089706 /nfs/dbraw/zinc/08/97/06/822089706.db2.gz LHACJODEWKZUIL-LJQANCHMSA-N 1 1 376.504 4.371 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000182092923 822090766 /nfs/dbraw/zinc/09/07/66/822090766.db2.gz GHPJVLKXGQWIFH-QFIPXVFZSA-N 1 1 391.563 4.045 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ncc(Br)s1 ZINC000182157732 822122568 /nfs/dbraw/zinc/12/25/68/822122568.db2.gz LQDCATBGGCXNNR-REAQECSSSA-N 1 1 389.265 4.365 20 0 GIADMO Cc1cc2cc([C@H](C)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)oc2cc1C ZINC000182260791 822174561 /nfs/dbraw/zinc/17/45/61/822174561.db2.gz SDCXJIGWOQACSI-AVRDEDQJSA-N 1 1 378.516 4.467 20 0 GIADMO Cc1cc2cc([C@H](C)NCc3ccccc3C[N@H+]3CC[C@H](O)C3)oc2cc1C ZINC000182260791 822174564 /nfs/dbraw/zinc/17/45/64/822174564.db2.gz SDCXJIGWOQACSI-AVRDEDQJSA-N 1 1 378.516 4.467 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182304921 822195391 /nfs/dbraw/zinc/19/53/91/822195391.db2.gz DHOIVSFQIYOQPG-PGRDOPGGSA-N 1 1 395.551 4.078 20 0 GIADMO O=C(Nc1ccncc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182354952 822212642 /nfs/dbraw/zinc/21/26/42/822212642.db2.gz RXMWAXGZUADTQG-UHFFFAOYSA-N 1 1 379.291 4.175 20 0 GIADMO CN(C)c1nc2sc(C(=O)N3C[C@@H]4CCC[N@H+]4Cc4ccccc43)cc2s1 ZINC000182363570 822216371 /nfs/dbraw/zinc/21/63/71/822216371.db2.gz WDVHIIDZBIUJOU-AWEZNQCLSA-N 1 1 398.557 4.049 20 0 GIADMO COc1ccc([C@H](NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182380352 822222115 /nfs/dbraw/zinc/22/21/15/822222115.db2.gz JLONOYBHDRRLJR-ZWDAVXSWSA-N 1 1 385.552 4.099 20 0 GIADMO CC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000182499280 822269642 /nfs/dbraw/zinc/26/96/42/822269642.db2.gz UVVPHGBOUHYCLI-ZFWWWQNUSA-N 1 1 377.916 4.317 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1c(C)noc1C ZINC000182499911 822269875 /nfs/dbraw/zinc/26/98/75/822269875.db2.gz IGPFLMPUVKMWQR-INIZCTEOSA-N 1 1 385.464 4.012 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C)[C@@H](C)C3CCCCC3)CC2)cs1 ZINC000177998246 822276268 /nfs/dbraw/zinc/27/62/68/822276268.db2.gz BWJREWGNFCPZKM-HZPDHXFCSA-N 1 1 377.598 4.385 20 0 GIADMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000177998831 822276851 /nfs/dbraw/zinc/27/68/51/822276851.db2.gz FYLNDDQATGQZRB-CQSZACIVSA-N 1 1 378.373 4.267 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)C1 ZINC000178009148 822280245 /nfs/dbraw/zinc/28/02/45/822280245.db2.gz YTRBHECTNAJFMR-IBGZPJMESA-N 1 1 397.567 4.034 20 0 GIADMO 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C[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182874083 822383642 /nfs/dbraw/zinc/38/36/42/822383642.db2.gz UIUVXCPIIXHVFH-AZUAARDMSA-N 1 1 390.527 4.300 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182882442 822385389 /nfs/dbraw/zinc/38/53/89/822385389.db2.gz HDYJTJPXDOFNSO-GOEBONIOSA-N 1 1 381.923 4.274 20 0 GIADMO C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182882838 822385430 /nfs/dbraw/zinc/38/54/30/822385430.db2.gz LDRYODGOACECEM-HOTGVXAUSA-N 1 1 391.506 4.292 20 0 GIADMO Cc1cc(Br)c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)s1 ZINC000453568183 822385582 /nfs/dbraw/zinc/38/55/82/822385582.db2.gz WWLXVWNDXSJEQZ-CYBMUJFWSA-N 1 1 391.338 4.241 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178526180 822387874 /nfs/dbraw/zinc/38/78/74/822387874.db2.gz GJEVYUYOLZHUQT-RYUDHWBXSA-N 1 1 387.423 4.242 20 0 GIADMO Cn1c(C[NH+]2CCC3(CC2)OCCc2ccccc23)nc2ccc(Cl)cc21 ZINC000453581100 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397.425 4.471 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000178579759 822393819 /nfs/dbraw/zinc/39/38/19/822393819.db2.gz XFXGTAINUPSVOK-OAHLLOKOSA-N 1 1 397.425 4.471 20 0 GIADMO CON1CCC([N@@H+](C)Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000453620686 822394321 /nfs/dbraw/zinc/39/43/21/822394321.db2.gz MHENKJQRSLWFLT-UHFFFAOYSA-N 1 1 396.354 4.030 20 0 GIADMO O=C1[C@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C[C@@H]2CCCCN12 ZINC000453631197 822395741 /nfs/dbraw/zinc/39/57/41/822395741.db2.gz OSEOLSBGTKCZHY-SWLSCSKDSA-N 1 1 396.343 4.360 20 0 GIADMO O=C1[C@@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C[C@@H]2CCCCN12 ZINC000453631200 822395810 /nfs/dbraw/zinc/39/58/10/822395810.db2.gz OSEOLSBGTKCZHY-WFASDCNBSA-N 1 1 396.343 4.360 20 0 GIADMO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccnc(Cl)c2)c1 ZINC000178614498 822396304 /nfs/dbraw/zinc/39/63/04/822396304.db2.gz VQPNLVZZRAECSK-OAQYLSRUSA-N 1 1 382.891 4.479 20 0 GIADMO C[C@H](NC(=O)N(C)CCOc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182938319 822396432 /nfs/dbraw/zinc/39/64/32/822396432.db2.gz HKLDGROOPKVYLV-IRXDYDNUSA-N 1 1 393.959 4.013 20 0 GIADMO C[C@@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccsc1 ZINC000178769820 822408516 /nfs/dbraw/zinc/40/85/16/822408516.db2.gz XBZKZSRQFFKPCD-CQSZACIVSA-N 1 1 388.514 4.190 20 0 GIADMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c(C2CCCCC2)n1 ZINC000183004797 822409582 /nfs/dbraw/zinc/40/95/82/822409582.db2.gz UNTHDYNGFDROFS-UHFFFAOYSA-N 1 1 390.572 4.299 20 0 GIADMO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000045787893 822413738 /nfs/dbraw/zinc/41/37/38/822413738.db2.gz KZLOGYXFYYXHBL-HTAPYJJXSA-N 1 1 396.535 4.262 20 0 GIADMO COc1ccc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000045789462 822414021 /nfs/dbraw/zinc/41/40/21/822414021.db2.gz FXFXPHKIXWMUEH-IBGZPJMESA-N 1 1 395.547 4.269 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000045804796 822414896 /nfs/dbraw/zinc/41/48/96/822414896.db2.gz YKPCSBPOGHFUAT-GOSISDBHSA-N 1 1 399.579 4.027 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2Br)cc1OC ZINC000178885256 822418979 /nfs/dbraw/zinc/41/89/79/822418979.db2.gz JCZQDPNNNCAWHK-LBPRGKRZSA-N 1 1 378.266 4.095 20 0 GIADMO COc1ccc(Br)cc1C[NH2+]Cc1ccc(Br)o1 ZINC000178901476 822420278 /nfs/dbraw/zinc/42/02/78/822420278.db2.gz JXEYOVQEAZJSGG-UHFFFAOYSA-N 1 1 375.060 4.103 20 0 GIADMO COc1cc(-c2ccccc2)ccc1CNc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000183082099 822422494 /nfs/dbraw/zinc/42/24/94/822422494.db2.gz IVLCNKZOSLZSQB-UHFFFAOYSA-N 1 1 389.499 4.474 20 0 GIADMO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1ccccc1C ZINC000045933849 822424772 /nfs/dbraw/zinc/42/47/72/822424772.db2.gz XWCKETXMTSEBRW-NRFANRHFSA-N 1 1 392.503 4.039 20 0 GIADMO CC(C)c1noc(CN2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000178991103 822427099 /nfs/dbraw/zinc/42/70/99/822427099.db2.gz AAUNVXLNAPEILK-UHFFFAOYSA-N 1 1 396.457 4.308 20 0 GIADMO Cc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000454084478 822427492 /nfs/dbraw/zinc/42/74/92/822427492.db2.gz IIMAABYLOGOFOT-MOPGFXCFSA-N 1 1 393.531 4.043 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000045979914 822429191 /nfs/dbraw/zinc/42/91/91/822429191.db2.gz ZIMRMHNIRGDDGL-QGZVFWFLSA-N 1 1 394.519 4.341 20 0 GIADMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC000183138601 822429584 /nfs/dbraw/zinc/42/95/84/822429584.db2.gz MPYRURRODOLVCO-OAHLLOKOSA-N 1 1 392.894 4.266 20 0 GIADMO C[N@H+](Cc1cccc2cnccc21)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000183142181 822430312 /nfs/dbraw/zinc/43/03/12/822430312.db2.gz MRRFISHWSYFVEK-KRWDZBQOSA-N 1 1 390.405 4.125 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2nc([C@@H](C)OCC(C)C)no2)cc1 ZINC000183148697 822431453 /nfs/dbraw/zinc/43/14/53/822431453.db2.gz VTRLZDUPKYGRDW-JKSUJKDBSA-N 1 1 383.496 4.148 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccnc(Oc3ccccc3)c2)C1 ZINC000045997300 822432390 /nfs/dbraw/zinc/43/23/90/822432390.db2.gz OKYJMKAUZGNEKK-LJQANCHMSA-N 1 1 396.535 4.185 20 0 GIADMO O=C([C@@H]1C[C@H]1c1cccnc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000454144524 822433112 /nfs/dbraw/zinc/43/31/12/822433112.db2.gz UIFSSHBQHHWNJL-BJKOFHAPSA-N 1 1 397.522 4.119 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000179062564 822434709 /nfs/dbraw/zinc/43/47/09/822434709.db2.gz WDAHUALWOPGTJH-NSHDSACASA-N 1 1 387.286 4.430 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)CCCn1cc[nH+]c1C ZINC000179072765 822435471 /nfs/dbraw/zinc/43/54/71/822435471.db2.gz ANLQATMIQIWTDP-INIZCTEOSA-N 1 1 397.548 4.416 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(F)c1 ZINC000183172739 822435561 /nfs/dbraw/zinc/43/55/61/822435561.db2.gz GUDREJPFXMSKHK-ZDUSSCGKSA-N 1 1 398.404 4.014 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000454175490 822435827 /nfs/dbraw/zinc/43/58/27/822435827.db2.gz XNPPICASSZGLOA-AWEZNQCLSA-N 1 1 377.410 4.090 20 0 GIADMO COC(=O)c1oc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1C ZINC000179092144 822437189 /nfs/dbraw/zinc/43/71/89/822437189.db2.gz TVCRHBHYUXRPTN-NSHDSACASA-N 1 1 388.411 4.230 20 0 GIADMO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179094781 822437675 /nfs/dbraw/zinc/43/76/75/822437675.db2.gz WCYAHYHHHNIXDU-LBPRGKRZSA-N 1 1 380.439 4.428 20 0 GIADMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179094781 822437677 /nfs/dbraw/zinc/43/76/77/822437677.db2.gz WCYAHYHHHNIXDU-LBPRGKRZSA-N 1 1 380.439 4.428 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000046060693 822438489 /nfs/dbraw/zinc/43/84/89/822438489.db2.gz JTQFUXXLCNWZBB-QPPBQGQZSA-N 1 1 394.515 4.199 20 0 GIADMO Fc1ccc(-n2ccc(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)n2)cc1 ZINC000183201855 822440618 /nfs/dbraw/zinc/44/06/18/822440618.db2.gz PAEYDZLCQDXHIW-UHFFFAOYSA-N 1 1 393.388 4.064 20 0 GIADMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000046092277 822440920 /nfs/dbraw/zinc/44/09/20/822440920.db2.gz FNKJYRLPTZPCBL-GAJHUEQPSA-N 1 1 398.934 4.047 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NC1(CF)CCOCC1)C1CCCCC1 ZINC000454230151 822441334 /nfs/dbraw/zinc/44/13/34/822441334.db2.gz QPNDDDXYWYGFKI-UHFFFAOYSA-N 1 1 377.504 4.091 20 0 GIADMO C[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)[N@@H+]1CCc2sccc2C1 ZINC000454241874 822442746 /nfs/dbraw/zinc/44/27/46/822442746.db2.gz CDQSLNIBOOCQRW-BEFAXECRSA-N 1 1 385.533 4.025 20 0 GIADMO C[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)[N@H+]1CCc2sccc2C1 ZINC000454241874 822442749 /nfs/dbraw/zinc/44/27/49/822442749.db2.gz CDQSLNIBOOCQRW-BEFAXECRSA-N 1 1 385.533 4.025 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](c3ccccc3C)C(C)C)nc2c1 ZINC000183215726 822442833 /nfs/dbraw/zinc/44/28/33/822442833.db2.gz XIEKXFVQIVOOQR-NRFANRHFSA-N 1 1 386.517 4.417 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)cc1F ZINC000183220211 822443300 /nfs/dbraw/zinc/44/33/00/822443300.db2.gz DLDPNXKKRNSUNV-YCRPNKLZSA-N 1 1 393.466 4.008 20 0 GIADMO CN(Cc1ccco1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183228547 822444706 /nfs/dbraw/zinc/44/47/06/822444706.db2.gz VKNHLIATTIGHAU-UHFFFAOYSA-N 1 1 396.318 4.392 20 0 GIADMO Cc1nc2ccccc2n1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000046156322 822445568 /nfs/dbraw/zinc/44/55/68/822445568.db2.gz LBWICOPQCNHLGV-QGZVFWFLSA-N 1 1 376.504 4.215 20 0 GIADMO CSc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000179159958 822445619 /nfs/dbraw/zinc/44/56/19/822445619.db2.gz KAJHWHXOBSBJKL-ICSRJNTNSA-N 1 1 388.508 4.074 20 0 GIADMO O=C(OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)c1cccc(Cl)n1 ZINC000183236852 822446175 /nfs/dbraw/zinc/44/61/75/822446175.db2.gz BCFDPWHYFOAOOR-CYBMUJFWSA-N 1 1 380.822 4.082 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(C(F)F)c3)CC[N@H+]2C2CC2)c1 ZINC000183238511 822446339 /nfs/dbraw/zinc/44/63/39/822446339.db2.gz GTEOVJMWDLVBPH-WOJBJXKFSA-N 1 1 386.442 4.341 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3sccc3SC)CC[N@@H+]2C2CC2)c1 ZINC000183246926 822447933 /nfs/dbraw/zinc/44/79/33/822447933.db2.gz HFFPJZCRBJBSBS-AEFFLSMTSA-N 1 1 388.558 4.186 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3sccc3SC)CC[N@H+]2C2CC2)c1 ZINC000183246926 822447935 /nfs/dbraw/zinc/44/79/35/822447935.db2.gz HFFPJZCRBJBSBS-AEFFLSMTSA-N 1 1 388.558 4.186 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3sccc3SC)CC[N@@H+]2C2CC2)c1 ZINC000183246909 822447972 /nfs/dbraw/zinc/44/79/72/822447972.db2.gz HFFPJZCRBJBSBS-SJLPKXTDSA-N 1 1 388.558 4.186 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3sccc3SC)CC[N@H+]2C2CC2)c1 ZINC000183246909 822447973 /nfs/dbraw/zinc/44/79/73/822447973.db2.gz HFFPJZCRBJBSBS-SJLPKXTDSA-N 1 1 388.558 4.186 20 0 GIADMO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)C(C)C ZINC000183269184 822451233 /nfs/dbraw/zinc/45/12/33/822451233.db2.gz PLLXDOPSWWWVEB-HXUWFJFHSA-N 1 1 385.533 4.315 20 0 GIADMO CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)cc1 ZINC000179208599 822451360 /nfs/dbraw/zinc/45/13/60/822451360.db2.gz YEGPWKAHUIMQJT-LLVKDONJSA-N 1 1 397.342 4.286 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)c3cccs3)CC[N@H+]2C2CC2)c1 ZINC000183274757 822452133 /nfs/dbraw/zinc/45/21/33/822452133.db2.gz PECCPJAGGBXFJT-UYAOXDASSA-N 1 1 384.545 4.129 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3c(F)cccc3Cl)CC[N@H+]2C2CC2)c1 ZINC000183279254 822452860 /nfs/dbraw/zinc/45/28/60/822452860.db2.gz HXSUIESXLRIZNR-AZUAARDMSA-N 1 1 388.870 4.196 20 0 GIADMO C[C@@H](Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000183281246 822452960 /nfs/dbraw/zinc/45/29/60/822452960.db2.gz ZPHBBTANFFBISW-QZTJIDSGSA-N 1 1 399.510 4.091 20 0 GIADMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccccc3-c3nc4ccccc4s3)C[C@@H]21 ZINC000454295315 822453529 /nfs/dbraw/zinc/45/35/29/822453529.db2.gz LRNJQMKMEYRXTN-KDOFPFPSSA-N 1 1 378.501 4.131 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ncc(Br)s1 ZINC000179230876 822454510 /nfs/dbraw/zinc/45/45/10/822454510.db2.gz NDWOLUNNCFHSJP-SKDRFNHKSA-N 1 1 390.297 4.137 20 0 GIADMO COCc1cccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c1 ZINC000179235588 822455325 /nfs/dbraw/zinc/45/53/25/822455325.db2.gz PAJWGABVZFSZQW-OAQYLSRUSA-N 1 1 381.520 4.175 20 0 GIADMO COCc1cccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000179235368 822455368 /nfs/dbraw/zinc/45/53/68/822455368.db2.gz PXDUUZIHSGDOLG-LJQANCHMSA-N 1 1 381.451 4.402 20 0 GIADMO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C1CC1 ZINC000183300233 822455395 /nfs/dbraw/zinc/45/53/95/822455395.db2.gz ZVBSMMTWAHCLID-HXUWFJFHSA-N 1 1 378.451 4.052 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ncc(Br)s1 ZINC000179238537 822455798 /nfs/dbraw/zinc/45/57/98/822455798.db2.gz YITTUVVNDNLVEC-VHSXEESVSA-N 1 1 388.281 4.113 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000454324231 822458041 /nfs/dbraw/zinc/45/80/41/822458041.db2.gz VJJYGQVSBWWVNN-YJBOKZPZSA-N 1 1 385.474 4.399 20 0 GIADMO CS[C@H](C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179268813 822459362 /nfs/dbraw/zinc/45/93/62/822459362.db2.gz ZIRMWZKBTRVKBU-CQSZACIVSA-N 1 1 388.499 4.270 20 0 GIADMO CCn1ccnc1[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000454356296 822461347 /nfs/dbraw/zinc/46/13/47/822461347.db2.gz BFMOLEYSFZWEHO-GOSISDBHSA-N 1 1 397.567 4.228 20 0 GIADMO CO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC000454364353 822462555 /nfs/dbraw/zinc/46/25/55/822462555.db2.gz MRKGKCVCRBEMHF-PGRDOPGGSA-N 1 1 387.568 4.018 20 0 GIADMO COc1ccc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1OC(C)C ZINC000183365294 822464294 /nfs/dbraw/zinc/46/42/94/822464294.db2.gz YHMJBLSMBPQHFO-UHFFFAOYSA-N 1 1 383.492 4.041 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)[N@H+]1CCC[C@@H](C)C1 ZINC000046348672 822464564 /nfs/dbraw/zinc/46/45/64/822464564.db2.gz YZQOFLWQPFDCNE-SOLBZPMBSA-N 1 1 386.565 4.263 20 0 GIADMO C[C@@H](c1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1)[NH+]1CCOCC1 ZINC000179339139 822468069 /nfs/dbraw/zinc/46/80/69/822468069.db2.gz NIMBOWKMAZUZKA-HNNXBMFYSA-N 1 1 379.435 4.019 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2)C[C@H](C)O1 ZINC000046432534 822472621 /nfs/dbraw/zinc/47/26/21/822472621.db2.gz FONFDNIVADOWTG-GJZGRUSLSA-N 1 1 392.952 4.283 20 0 GIADMO Cc1cc(N(C)C)ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454420932 822472923 /nfs/dbraw/zinc/47/29/23/822472923.db2.gz AWWICHRFUCSVGI-SFHVURJKSA-N 1 1 380.536 4.047 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)Cc3cnc(C)s3)c2)cc1 ZINC000179381647 822474213 /nfs/dbraw/zinc/47/42/13/822474213.db2.gz ZCNXYGGADFDBAC-UHFFFAOYSA-N 1 1 381.501 4.344 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)Cc3cnc(C)s3)c2)cc1 ZINC000179381647 822474217 /nfs/dbraw/zinc/47/42/17/822474217.db2.gz ZCNXYGGADFDBAC-UHFFFAOYSA-N 1 1 381.501 4.344 20 0 GIADMO C[C@@H](c1nc(-c2cccs2)no1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394648 822476560 /nfs/dbraw/zinc/47/65/60/822476560.db2.gz SEGBJJRLSIPURL-INIZCTEOSA-N 1 1 397.548 4.493 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3cccc(C)c3)CC2)c1 ZINC000179398324 822476868 /nfs/dbraw/zinc/47/68/68/822476868.db2.gz YCVMQGOQRLDASE-KRWDZBQOSA-N 1 1 377.488 4.070 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3cccc(C)c3)CC2)c1 ZINC000179398324 822476869 /nfs/dbraw/zinc/47/68/69/822476869.db2.gz YCVMQGOQRLDASE-KRWDZBQOSA-N 1 1 377.488 4.070 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179399777 822477313 /nfs/dbraw/zinc/47/73/13/822477313.db2.gz WWVXENPROPHWKH-HUUCEWRRSA-N 1 1 399.560 4.091 20 0 GIADMO COc1c(C)ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000454452793 822478145 /nfs/dbraw/zinc/47/81/45/822478145.db2.gz UIVDJVDHBVDCLU-QGZVFWFLSA-N 1 1 381.520 4.298 20 0 GIADMO CCOCc1cc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1OC ZINC000179415325 822479516 /nfs/dbraw/zinc/47/95/16/822479516.db2.gz RQTOWUKXWDRHPT-UHFFFAOYSA-N 1 1 384.520 4.227 20 0 GIADMO CCOCc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1OC ZINC000179415325 822479520 /nfs/dbraw/zinc/47/95/20/822479520.db2.gz RQTOWUKXWDRHPT-UHFFFAOYSA-N 1 1 384.520 4.227 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000183468141 822479578 /nfs/dbraw/zinc/47/95/78/822479578.db2.gz XEXZDBJXIXGLJF-UHFFFAOYSA-N 1 1 382.851 4.027 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](Cc4nccn4C)C3)cs2)cc1 ZINC000179430769 822481789 /nfs/dbraw/zinc/48/17/89/822481789.db2.gz ZENIXYYRJAMBNP-INIZCTEOSA-N 1 1 382.533 4.007 20 0 GIADMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)o1 ZINC000183479336 822482190 /nfs/dbraw/zinc/48/21/90/822482190.db2.gz OUJYHQBVNWXQHW-HNNXBMFYSA-N 1 1 375.362 4.400 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC[C@@H]21 ZINC000183479599 822482331 /nfs/dbraw/zinc/48/23/31/822482331.db2.gz KDZXPPGHGMBLOH-GUYCJALGSA-N 1 1 381.467 4.090 20 0 GIADMO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC(F)F ZINC000183483669 822483163 /nfs/dbraw/zinc/48/31/63/822483163.db2.gz QDGIWSRDOIHOMZ-CABCVRRESA-N 1 1 381.467 4.371 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000183490129 822484608 /nfs/dbraw/zinc/48/46/08/822484608.db2.gz AWZCYIROFUPHOQ-CABCVRRESA-N 1 1 381.467 4.233 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@]2(O)CCCC2(C)C)c1 ZINC000454496808 822484868 /nfs/dbraw/zinc/48/48/68/822484868.db2.gz CHUGKNKJVMYBEJ-QFIPXVFZSA-N 1 1 384.524 4.118 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(SC(=O)N(C)C)c2)cc1OC ZINC000183497726 822486355 /nfs/dbraw/zinc/48/63/55/822486355.db2.gz IQRLYJXKHHYYHY-CYBMUJFWSA-N 1 1 392.496 4.467 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)ccc1OCc1ccccc1 ZINC000179467527 822487002 /nfs/dbraw/zinc/48/70/02/822487002.db2.gz JNVLCHYBLLIYMC-OAQYLSRUSA-N 1 1 392.503 4.093 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183511738 822488148 /nfs/dbraw/zinc/48/81/48/822488148.db2.gz MEHIJXVRISJPPB-GDBMZVCRSA-N 1 1 382.508 4.480 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179478839 822488595 /nfs/dbraw/zinc/48/85/95/822488595.db2.gz WVNKINULSLMAMU-TZIWHRDSSA-N 1 1 394.519 4.156 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000183518943 822488994 /nfs/dbraw/zinc/48/89/94/822488994.db2.gz VWNVPWXATCVJBA-UHFFFAOYSA-N 1 1 380.439 4.201 20 0 GIADMO CCC[C@@H](NC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(C)(C)C ZINC000454521237 822490583 /nfs/dbraw/zinc/49/05/83/822490583.db2.gz XZNHDDSFWZGQNV-GOSISDBHSA-N 1 1 378.561 4.017 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)n2)cc1F ZINC000179499607 822491875 /nfs/dbraw/zinc/49/18/75/822491875.db2.gz UQEJDYATUAFMAQ-CJNGLKHVSA-N 1 1 396.470 4.120 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)n2)cc1F ZINC000179499607 822491877 /nfs/dbraw/zinc/49/18/77/822491877.db2.gz UQEJDYATUAFMAQ-CJNGLKHVSA-N 1 1 396.470 4.120 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C2CC2)n1 ZINC000183541231 822492399 /nfs/dbraw/zinc/49/23/99/822492399.db2.gz BUYZMEOGQHGOPI-GDZNZVCISA-N 1 1 377.941 4.412 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C2CC2)n1 ZINC000183545568 822492878 /nfs/dbraw/zinc/49/28/78/822492878.db2.gz CEHQVYWNSBBRJB-JLTOFOAXSA-N 1 1 383.517 4.458 20 0 GIADMO Fc1ccc([C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc2)nc1 ZINC000183550514 822493654 /nfs/dbraw/zinc/49/36/54/822493654.db2.gz PWFXHJWNBVPAMV-OFVILXPXSA-N 1 1 389.518 4.464 20 0 GIADMO CC(C)c1ccc2c(c1)[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)CCCO2 ZINC000179511402 822493681 /nfs/dbraw/zinc/49/36/81/822493681.db2.gz RMMCTYPHPVVHGP-NRFANRHFSA-N 1 1 383.536 4.149 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000183558964 822494642 /nfs/dbraw/zinc/49/46/42/822494642.db2.gz XSTKPAYIRFGRFG-UHFFFAOYSA-N 1 1 391.909 4.056 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000183576353 822496642 /nfs/dbraw/zinc/49/66/42/822496642.db2.gz KWIVRTFVNOMLFT-OAHLLOKOSA-N 1 1 390.516 4.004 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@H](C)c3cccc(-n4cccn4)c3)n2)ccc1C ZINC000183579093 822497090 /nfs/dbraw/zinc/49/70/90/822497090.db2.gz WLFYDDQTVQVUCX-MRXNPFEDSA-N 1 1 389.459 4.090 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000179530641 822497938 /nfs/dbraw/zinc/49/79/38/822497938.db2.gz BSDVHMDXJITULG-UHFFFAOYSA-N 1 1 387.483 4.177 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000179530641 822497941 /nfs/dbraw/zinc/49/79/41/822497941.db2.gz BSDVHMDXJITULG-UHFFFAOYSA-N 1 1 387.483 4.177 20 0 GIADMO CCCNc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000183589837 822498182 /nfs/dbraw/zinc/49/81/82/822498182.db2.gz YCHZEUYHVROPOR-ROUUACIJSA-N 1 1 381.520 4.370 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)s1 ZINC000183603807 822500121 /nfs/dbraw/zinc/50/01/21/822500121.db2.gz PVQJXDJTPIBDRK-AWEZNQCLSA-N 1 1 378.460 4.020 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N(C)Cc2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000454591400 822502521 /nfs/dbraw/zinc/50/25/21/822502521.db2.gz KDKGKQHCKHYPMT-SJLPKXTDSA-N 1 1 387.474 4.159 20 0 GIADMO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1cc(F)c(F)c(F)c1 ZINC000179555828 822502823 /nfs/dbraw/zinc/50/28/23/822502823.db2.gz WAKWXZKCSZKTMW-OPURJYLOSA-N 1 1 398.856 4.480 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(F)cc1F ZINC000179556138 822503016 /nfs/dbraw/zinc/50/30/16/822503016.db2.gz JVVFVGGTUBNLJI-QTJFZDIUSA-N 1 1 380.866 4.341 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cn(C)nc1-c1ccccc1 ZINC000179567174 822504689 /nfs/dbraw/zinc/50/46/89/822504689.db2.gz FHEBAOAKFHMZFP-UHFFFAOYSA-N 1 1 376.504 4.246 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cn(C)nc1-c1ccccc1 ZINC000179567174 822504692 /nfs/dbraw/zinc/50/46/92/822504692.db2.gz FHEBAOAKFHMZFP-UHFFFAOYSA-N 1 1 376.504 4.246 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]Cc2sc(C)nc2C(F)(F)F)cc1OC ZINC000183643777 822505641 /nfs/dbraw/zinc/50/56/41/822505641.db2.gz CVOQBAFGDBQQRV-MRVPVSSYSA-N 1 1 378.391 4.477 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(Oc2cnccn2)cc1 ZINC000179575953 822505882 /nfs/dbraw/zinc/50/58/82/822505882.db2.gz QJUKNHCRXFGQHN-UHFFFAOYSA-N 1 1 398.413 4.008 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(Oc2cnccn2)cc1 ZINC000179575953 822505886 /nfs/dbraw/zinc/50/58/86/822505886.db2.gz QJUKNHCRXFGQHN-UHFFFAOYSA-N 1 1 398.413 4.008 20 0 GIADMO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1cccc(OC(F)F)c1 ZINC000179578316 822506082 /nfs/dbraw/zinc/50/60/82/822506082.db2.gz DEAYHZCZXACPHL-LBPRGKRZSA-N 1 1 378.810 4.373 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454615127 822506556 /nfs/dbraw/zinc/50/65/56/822506556.db2.gz LKGRKYFANGFHKU-KAGYGMCKSA-N 1 1 393.531 4.427 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CSc2ccccc21 ZINC000454619262 822507582 /nfs/dbraw/zinc/50/75/82/822507582.db2.gz NZJSBOVJZLKDOL-YFVAEKQCSA-N 1 1 395.572 4.086 20 0 GIADMO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000454623117 822508185 /nfs/dbraw/zinc/50/81/85/822508185.db2.gz CDAJAOPQTCAMCU-XMMPIXPASA-N 1 1 392.547 4.273 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000183666046 822508224 /nfs/dbraw/zinc/50/82/24/822508224.db2.gz JLVHVMJQJIPKME-DAVBRLECSA-N 1 1 392.547 4.227 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CCO)C(C)(C)C)cs1)c1ccc(C)cc1 ZINC000183671933 822508871 /nfs/dbraw/zinc/50/88/71/822508871.db2.gz LMWLNUSXRRPGOL-SFHVURJKSA-N 1 1 375.538 4.023 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1Cl ZINC000183701921 822513839 /nfs/dbraw/zinc/51/38/39/822513839.db2.gz PIPDWYUJAAXLMP-IBGZPJMESA-N 1 1 396.940 4.204 20 0 GIADMO CCOCc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC)ccc1OC ZINC000179625384 822515020 /nfs/dbraw/zinc/51/50/20/822515020.db2.gz ZQGMYPQJBFBXHJ-UHFFFAOYSA-N 1 1 388.533 4.024 20 0 GIADMO CCOCc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)ccc1OC ZINC000179625384 822515023 /nfs/dbraw/zinc/51/50/23/822515023.db2.gz ZQGMYPQJBFBXHJ-UHFFFAOYSA-N 1 1 388.533 4.024 20 0 GIADMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183712345 822515333 /nfs/dbraw/zinc/51/53/33/822515333.db2.gz FKZVGAZXNYPSBP-CYBMUJFWSA-N 1 1 377.282 4.198 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc(Br)c1OC ZINC000183723128 822516892 /nfs/dbraw/zinc/51/68/92/822516892.db2.gz CDUPDMNLGOEOIM-ZDUSSCGKSA-N 1 1 379.298 4.444 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000183725472 822517250 /nfs/dbraw/zinc/51/72/50/822517250.db2.gz SPCYBJWUJBFKRY-NHYWBVRUSA-N 1 1 393.409 4.024 20 0 GIADMO COc1cccc(CCC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000046790081 822517441 /nfs/dbraw/zinc/51/74/41/822517441.db2.gz UFWJQMITWLYSAD-LJQANCHMSA-N 1 1 380.532 4.319 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[NH2+]C3(c4ccccc4F)CC3)cc(=O)oc2c1 ZINC000179642376 822518433 /nfs/dbraw/zinc/51/84/33/822518433.db2.gz SKFDIKBRDFHMCS-UHFFFAOYSA-N 1 1 396.418 4.279 20 0 GIADMO Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000454697925 822518927 /nfs/dbraw/zinc/51/89/27/822518927.db2.gz KDANYYWPQRWYNR-KRWDZBQOSA-N 1 1 387.911 4.301 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)Cc1ccncc1 ZINC000183737851 822519431 /nfs/dbraw/zinc/51/94/31/822519431.db2.gz FPVOJWPHMRTFPS-UHFFFAOYSA-N 1 1 385.309 4.279 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)Cc1ccncc1 ZINC000183737851 822519433 /nfs/dbraw/zinc/51/94/33/822519433.db2.gz FPVOJWPHMRTFPS-UHFFFAOYSA-N 1 1 385.309 4.279 20 0 GIADMO CCCOc1c(Br)cc(C[N@H+](C)Cc2ccncc2)cc1OC ZINC000183743557 822520546 /nfs/dbraw/zinc/52/05/46/822520546.db2.gz HKSOBOXBVBGIPS-UHFFFAOYSA-N 1 1 379.298 4.274 20 0 GIADMO CCCOc1c(Br)cc(C[N@@H+](C)Cc2ccncc2)cc1OC ZINC000183743557 822520549 /nfs/dbraw/zinc/52/05/49/822520549.db2.gz HKSOBOXBVBGIPS-UHFFFAOYSA-N 1 1 379.298 4.274 20 0 GIADMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)ccc1OC ZINC000183746161 822521270 /nfs/dbraw/zinc/52/12/70/822521270.db2.gz QAINQNMBUHBUTP-INIZCTEOSA-N 1 1 389.839 4.228 20 0 GIADMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)ccc1OC ZINC000183746178 822521278 /nfs/dbraw/zinc/52/12/78/822521278.db2.gz QAINQNMBUHBUTP-MRXNPFEDSA-N 1 1 389.839 4.228 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)CCc1ccncc1 ZINC000183753531 822522648 /nfs/dbraw/zinc/52/26/48/822522648.db2.gz ZEULVWXUVDFIMF-UHFFFAOYSA-N 1 1 385.309 4.013 20 0 GIADMO C[C@H](c1ccncc1)[N@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000179664646 822523017 /nfs/dbraw/zinc/52/30/17/822523017.db2.gz VCSIOMNTQGICPU-OAHLLOKOSA-N 1 1 391.437 4.284 20 0 GIADMO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000179664646 822523021 /nfs/dbraw/zinc/52/30/21/822523021.db2.gz VCSIOMNTQGICPU-OAHLLOKOSA-N 1 1 391.437 4.284 20 0 GIADMO CCC(CC)n1nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000179667207 822523375 /nfs/dbraw/zinc/52/33/75/822523375.db2.gz IUSDJBUFNQTXLO-LJQANCHMSA-N 1 1 382.552 4.289 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)C3C[C@H](C)C[C@@H](C)C3)CC2)cs1 ZINC000183763090 822524464 /nfs/dbraw/zinc/52/44/64/822524464.db2.gz FRZKOQSDWHXZBC-HZPDHXFCSA-N 1 1 377.598 4.106 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccc(NCC3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000183763836 822524748 /nfs/dbraw/zinc/52/47/48/822524748.db2.gz JHUGNAKMFBJHDD-UHFFFAOYSA-N 1 1 397.485 4.131 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)cc1OC ZINC000183765871 822525170 /nfs/dbraw/zinc/52/51/70/822525170.db2.gz QTFMWKVUNDSSIH-LLVKDONJSA-N 1 1 383.275 4.300 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(F)ccc3F)CC[N@H+]2C2CC2)c1 ZINC000183767846 822525514 /nfs/dbraw/zinc/52/55/14/822525514.db2.gz LQUJTLFTKURFEH-UYAOXDASSA-N 1 1 387.430 4.073 20 0 GIADMO Cc1cc2c(cc1NC(=O)N1CCC(C[N@H+](C)Cc3ccccc3)CC1)OCO2 ZINC000183787238 822528283 /nfs/dbraw/zinc/52/82/83/822528283.db2.gz YXOZKQGHSAZARX-UHFFFAOYSA-N 1 1 395.503 4.100 20 0 GIADMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)on2)cc1 ZINC000046904471 822528904 /nfs/dbraw/zinc/52/89/04/822528904.db2.gz GNFKDMMBTNHVAM-LJQANCHMSA-N 1 1 379.460 4.200 20 0 GIADMO C[C@@H](CNC(=O)N[C@@H]1CCSc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000046908408 822529054 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1 1 382.504 4.007 20 0 GIADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000179704442 822531458 /nfs/dbraw/zinc/53/14/58/822531458.db2.gz LDGLRFPZUOLUEQ-HNNXBMFYSA-N 1 1 383.826 4.358 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000179704442 822531462 /nfs/dbraw/zinc/53/14/62/822531462.db2.gz LDGLRFPZUOLUEQ-HNNXBMFYSA-N 1 1 383.826 4.358 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)C1 ZINC000046934557 822532499 /nfs/dbraw/zinc/53/24/99/822532499.db2.gz ULGVEVZXTBOWDO-INIZCTEOSA-N 1 1 377.488 4.056 20 0 GIADMO COc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(OC)c1OC ZINC000046934309 822532577 /nfs/dbraw/zinc/53/25/77/822532577.db2.gz XKCJFMIPIGNSFF-INIZCTEOSA-N 1 1 398.503 4.197 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2cn3cccnc3n2)ccc1OCc1ccccc1 ZINC000179710611 822532643 /nfs/dbraw/zinc/53/26/43/822532643.db2.gz YCAFNIVNBIGWDC-KRWDZBQOSA-N 1 1 388.471 4.168 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc4c(c3)CCC(=O)N4)cc2)C1 ZINC000046934556 822532675 /nfs/dbraw/zinc/53/26/75/822532675.db2.gz ULGVEVZXTBOWDO-MRXNPFEDSA-N 1 1 377.488 4.056 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183825480 822532795 /nfs/dbraw/zinc/53/27/95/822532795.db2.gz LEXULFPHCJIAPR-QUCCMNQESA-N 1 1 394.515 4.156 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3SCC#N)cc2)C1 ZINC000046935389 822532848 /nfs/dbraw/zinc/53/28/48/822532848.db2.gz RMZQEJAAGCAOGH-GOSISDBHSA-N 1 1 393.556 4.464 20 0 GIADMO CCC(CC)n1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000179713275 822533113 /nfs/dbraw/zinc/53/31/13/822533113.db2.gz DPOJJSXLTIABLZ-XLIONFOSSA-N 1 1 382.552 4.336 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)on1 ZINC000046952434 822533672 /nfs/dbraw/zinc/53/36/72/822533672.db2.gz SEMDJHFYZIVGBS-DOTOQJQBSA-N 1 1 387.549 4.126 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000046989765 822535989 /nfs/dbraw/zinc/53/59/89/822535989.db2.gz PGKJQVSMVAWMQG-MRXNPFEDSA-N 1 1 393.597 4.426 20 0 GIADMO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000046988568 822536029 /nfs/dbraw/zinc/53/60/29/822536029.db2.gz OFRPQPBUXJWBCZ-KRWDZBQOSA-N 1 1 399.535 4.255 20 0 GIADMO O=C(Nc1cccc(Cl)n1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000183856369 822536576 /nfs/dbraw/zinc/53/65/76/822536576.db2.gz XZLXIKDOEUSQFK-UHFFFAOYSA-N 1 1 379.291 4.128 20 0 GIADMO O=C(Nc1cccc(Cl)n1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000183856369 822536579 /nfs/dbraw/zinc/53/65/79/822536579.db2.gz XZLXIKDOEUSQFK-UHFFFAOYSA-N 1 1 379.291 4.128 20 0 GIADMO Fc1ccccc1-c1cnc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000179736804 822538954 /nfs/dbraw/zinc/53/89/54/822538954.db2.gz ZFLSLEAROJTFPJ-QFIPXVFZSA-N 1 1 380.419 4.493 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)co2)cc1 ZINC000179739969 822539836 /nfs/dbraw/zinc/53/98/36/822539836.db2.gz QSTOIPGUHPWRTJ-QFIPXVFZSA-N 1 1 392.455 4.362 20 0 GIADMO C[C@H](c1ccc(NC(=O)NC[C@@H]2CCCCC2(F)F)cc1)[NH+]1CCOCC1 ZINC000454816750 822539959 /nfs/dbraw/zinc/53/99/59/822539959.db2.gz UCQCFZDVXHSVDH-WBVHZDCISA-N 1 1 381.467 4.027 20 0 GIADMO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1OC(F)F ZINC000179745177 822541441 /nfs/dbraw/zinc/54/14/41/822541441.db2.gz ROOSRXGFUIJGQA-UHFFFAOYSA-N 1 1 390.430 4.147 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179763495 822546745 /nfs/dbraw/zinc/54/67/45/822546745.db2.gz HMLQERKVIBXGFY-CQSZACIVSA-N 1 1 396.441 4.350 20 0 GIADMO C[C@H](C[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1nccs1 ZINC000183925998 822548210 /nfs/dbraw/zinc/54/82/10/822548210.db2.gz IAHNINAWUCOWCJ-NWDGAFQWSA-N 1 1 387.578 4.090 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1nccs1 ZINC000183925998 822548213 /nfs/dbraw/zinc/54/82/13/822548213.db2.gz IAHNINAWUCOWCJ-NWDGAFQWSA-N 1 1 387.578 4.090 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000047146633 822548379 /nfs/dbraw/zinc/54/83/79/822548379.db2.gz NGHOQJVKHIVMKA-GFCCVEGCSA-N 1 1 396.318 4.419 20 0 GIADMO C[C@@H](CCCC(F)(F)F)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454868825 822548979 /nfs/dbraw/zinc/54/89/79/822548979.db2.gz YLTLNLBCSBCFDU-IRXDYDNUSA-N 1 1 385.474 4.271 20 0 GIADMO c1ccc(COc2cccc(C[N@H+]3CCC[C@H](c4nnc5ccccn54)C3)c2)nc1 ZINC000179781881 822551749 /nfs/dbraw/zinc/55/17/49/822551749.db2.gz PGVZNUCGVIAXOG-FQEVSTJZSA-N 1 1 399.498 4.083 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1 ZINC000047190818 822552685 /nfs/dbraw/zinc/55/26/85/822552685.db2.gz WERXNTBIYZENEA-IBGZPJMESA-N 1 1 393.531 4.210 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000183952306 822552902 /nfs/dbraw/zinc/55/29/02/822552902.db2.gz UQAOPCHSVNWRMY-NSHDSACASA-N 1 1 387.427 4.202 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccccc2SCCC(N)=O)cc1 ZINC000179791267 822553809 /nfs/dbraw/zinc/55/38/09/822553809.db2.gz NIKNAOPPGRPEBR-HNNXBMFYSA-N 1 1 380.517 4.321 20 0 GIADMO Cc1cc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)c(C)n1Cc1ccccc1 ZINC000047227985 822556196 /nfs/dbraw/zinc/55/61/96/822556196.db2.gz BGFDXKMHWAILRJ-UHFFFAOYSA-N 1 1 385.471 4.295 20 0 GIADMO COc1cccc2c1CCN(C(=O)N[C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC000183973484 822556398 /nfs/dbraw/zinc/55/63/98/822556398.db2.gz RJPBPKMCQUFHMA-MRXNPFEDSA-N 1 1 390.487 4.018 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1 ZINC000183988744 822558940 /nfs/dbraw/zinc/55/89/40/822558940.db2.gz KERDULLODKJWJN-GOSISDBHSA-N 1 1 391.519 4.221 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3csc(-c4ccccc4)n3)C2)n1 ZINC000047260832 822559598 /nfs/dbraw/zinc/55/95/98/822559598.db2.gz PPFLTFXAVPEHTL-SFHVURJKSA-N 1 1 392.528 4.364 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)n1 ZINC000047260832 822559602 /nfs/dbraw/zinc/55/96/02/822559602.db2.gz PPFLTFXAVPEHTL-SFHVURJKSA-N 1 1 392.528 4.364 20 0 GIADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl)c1nccs1 ZINC000183993431 822559889 /nfs/dbraw/zinc/55/98/89/822559889.db2.gz UKJKVMPLWRGUMB-OLZOCXBDSA-N 1 1 383.920 4.018 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000047262587 822559967 /nfs/dbraw/zinc/55/99/67/822559967.db2.gz UWOSJIBZUMUDPI-UHFFFAOYSA-N 1 1 396.878 4.241 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cn1 ZINC000047275799 822560916 /nfs/dbraw/zinc/56/09/16/822560916.db2.gz ZZDHGTDBNUBXHV-UHFFFAOYSA-N 1 1 388.471 4.056 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccc(OCc3cccs3)c2)cn1 ZINC000047275957 822561295 /nfs/dbraw/zinc/56/12/95/822561295.db2.gz NICVJBUGBVEGPI-UHFFFAOYSA-N 1 1 390.468 4.469 20 0 GIADMO Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)c12 ZINC000047283516 822561908 /nfs/dbraw/zinc/56/19/08/822561908.db2.gz LNVCIAZONUSAGH-OAHLLOKOSA-N 1 1 391.519 4.069 20 0 GIADMO C[C@H](C[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1)c1nccs1 ZINC000184010687 822563365 /nfs/dbraw/zinc/56/33/65/822563365.db2.gz PGHRBTUFLHUZEL-CQSZACIVSA-N 1 1 386.546 4.016 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1)c1nccs1 ZINC000184010687 822563366 /nfs/dbraw/zinc/56/33/66/822563366.db2.gz PGHRBTUFLHUZEL-CQSZACIVSA-N 1 1 386.546 4.016 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(C(F)F)cc1 ZINC000184011662 822563524 /nfs/dbraw/zinc/56/35/24/822563524.db2.gz VXHSPSWKKPMXBP-UHFFFAOYSA-N 1 1 375.463 4.464 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000184013433 822564005 /nfs/dbraw/zinc/56/40/05/822564005.db2.gz XYZFABNLIKZYPY-UHFFFAOYSA-N 1 1 390.468 4.382 20 0 GIADMO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000179853705 822566647 /nfs/dbraw/zinc/56/66/47/822566647.db2.gz NINRCNJINGFRMU-QGZVFWFLSA-N 1 1 388.393 4.243 20 0 GIADMO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000179853705 822566650 /nfs/dbraw/zinc/56/66/50/822566650.db2.gz NINRCNJINGFRMU-QGZVFWFLSA-N 1 1 388.393 4.243 20 0 GIADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000179882389 822571230 /nfs/dbraw/zinc/57/12/30/822571230.db2.gz XXRVKOMTGJGFTO-RHSMWYFYSA-N 1 1 386.883 4.228 20 0 GIADMO Clc1ccc2c(c1)nccc2SCC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184070430 822574032 /nfs/dbraw/zinc/57/40/32/822574032.db2.gz LKPVVFUFIAJCPX-UHFFFAOYSA-N 1 1 392.952 4.109 20 0 GIADMO Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179907984 822574986 /nfs/dbraw/zinc/57/49/86/822574986.db2.gz LKHKRULJARKZQB-WIYYLYMNSA-N 1 1 394.906 4.009 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000179919176 822577036 /nfs/dbraw/zinc/57/70/36/822577036.db2.gz SATKORMFXHUNLI-JKSUJKDBSA-N 1 1 385.483 4.112 20 0 GIADMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000179931808 822579351 /nfs/dbraw/zinc/57/93/51/822579351.db2.gz LQKAMMGKUNIOOH-CQSZACIVSA-N 1 1 387.749 4.231 20 0 GIADMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000179931808 822579354 /nfs/dbraw/zinc/57/93/54/822579354.db2.gz LQKAMMGKUNIOOH-CQSZACIVSA-N 1 1 387.749 4.231 20 0 GIADMO CCC[N@@H+](C)[C@@H](CNC(=O)NCc1cnc(C2CC2)o1)c1ccc(Cl)cc1 ZINC000455049554 822580544 /nfs/dbraw/zinc/58/05/44/822580544.db2.gz QZHQYRUKIAKTGK-SFHVURJKSA-N 1 1 390.915 4.088 20 0 GIADMO Cc1ccnc(NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000184140275 822584790 /nfs/dbraw/zinc/58/47/90/822584790.db2.gz SOBGVTHJAWMXCC-UHFFFAOYSA-N 1 1 392.425 4.149 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(COc4ccccc4)cc3)C2)C1 ZINC000455075093 822585448 /nfs/dbraw/zinc/58/54/48/822585448.db2.gz KUWUJZXIVNLWJD-QHCPKHFHSA-N 1 1 379.504 4.215 20 0 GIADMO Cn1cc([C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCCC2)c2cccc(F)c2)cn1 ZINC000179960848 822586117 /nfs/dbraw/zinc/58/61/17/822586117.db2.gz ZZTFMCQFYDUIAO-GOTSBHOMSA-N 1 1 378.495 4.075 20 0 GIADMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047540145 822588433 /nfs/dbraw/zinc/58/84/33/822588433.db2.gz ZWHTVWQFUXSUFK-MRXNPFEDSA-N 1 1 397.519 4.156 20 0 GIADMO O=C(Nc1ccc(Oc2ccccc2)cn1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000455105983 822589625 /nfs/dbraw/zinc/58/96/25/822589625.db2.gz DDFZIYQFUAXYQL-UTKZUKDTSA-N 1 1 392.503 4.355 20 0 GIADMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000184169111 822589934 /nfs/dbraw/zinc/58/99/34/822589934.db2.gz DWDGSDHYYNEGKO-MRXNPFEDSA-N 1 1 386.542 4.444 20 0 GIADMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)Nc1ccccc1OC(F)F ZINC000179986675 822591155 /nfs/dbraw/zinc/59/11/55/822591155.db2.gz BPEYVAKVZDKQOD-UHFFFAOYSA-N 1 1 382.357 4.174 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)Nc1ccncc1F ZINC000184190747 822593524 /nfs/dbraw/zinc/59/35/24/822593524.db2.gz WCMVBXLPFVFBCD-IBGZPJMESA-N 1 1 396.491 4.203 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)Nc1ccncc1F ZINC000184190747 822593525 /nfs/dbraw/zinc/59/35/25/822593525.db2.gz WCMVBXLPFVFBCD-IBGZPJMESA-N 1 1 396.491 4.203 20 0 GIADMO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ncc(Br)s1 ZINC000180010498 822595800 /nfs/dbraw/zinc/59/58/00/822595800.db2.gz RAHJDFRJMPILFG-VXGBXAGGSA-N 1 1 375.332 4.022 20 0 GIADMO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2)C2CCCCC2)c1 ZINC000047659336 822598948 /nfs/dbraw/zinc/59/89/48/822598948.db2.gz OFWWXOYJNRCVDW-UHFFFAOYSA-N 1 1 393.531 4.162 20 0 GIADMO COc1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184236181 822600682 /nfs/dbraw/zinc/60/06/82/822600682.db2.gz YHBGBLTVDXCULM-QAPCUYQASA-N 1 1 392.427 4.204 20 0 GIADMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc4c(cccc4F)n3CC)ccc2NC1=O ZINC000180034083 822601635 /nfs/dbraw/zinc/60/16/35/822601635.db2.gz VTHIRRNZFRTYJB-ACJLOTCBSA-N 1 1 396.466 4.156 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000047715538 822603115 /nfs/dbraw/zinc/60/31/15/822603115.db2.gz CBSXXDDQOZIQOV-UHFFFAOYSA-N 1 1 382.508 4.069 20 0 GIADMO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3ccc(F)cc3F)c2)cc1 ZINC000047718419 822603707 /nfs/dbraw/zinc/60/37/07/822603707.db2.gz MRCYMMAEBRQXAU-UHFFFAOYSA-N 1 1 380.438 4.493 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1 ZINC000180046546 822603775 /nfs/dbraw/zinc/60/37/75/822603775.db2.gz DIXIVOJXJMQOEF-LJQANCHMSA-N 1 1 376.541 4.286 20 0 GIADMO Cc1csc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000184282422 822608191 /nfs/dbraw/zinc/60/81/91/822608191.db2.gz FGSWTBONKNKTQT-CZUORRHYSA-N 1 1 397.466 4.312 20 0 GIADMO COc1cc(C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)ccc1O ZINC000180067344 822608260 /nfs/dbraw/zinc/60/82/60/822608260.db2.gz DGVMAZUPFFNHDX-UHFFFAOYSA-N 1 1 379.403 4.175 20 0 GIADMO Cc1ccccc1C(NC(=O)CCCC[NH+]1CCOCC1)c1ccccc1C ZINC000184288636 822609097 /nfs/dbraw/zinc/60/90/97/822609097.db2.gz YVPNESDNPOTVPG-UHFFFAOYSA-N 1 1 380.532 4.012 20 0 GIADMO CCOc1cc(Br)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCC ZINC000180091029 822613484 /nfs/dbraw/zinc/61/34/84/822613484.db2.gz WBTBNHQBHMVUID-ZIAGYGMSSA-N 1 1 383.330 4.285 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2occc2COc2ccccc2)[C@@H]1c1ccccc1 ZINC000180095274 822614314 /nfs/dbraw/zinc/61/43/14/822614314.db2.gz JAVIKPBHBIFRRT-RTWAWAEBSA-N 1 1 376.456 4.034 20 0 GIADMO Cc1nc(-c2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2)cs1 ZINC000180105974 822616313 /nfs/dbraw/zinc/61/63/13/822616313.db2.gz BOOOZKODGUZRKE-PZJWPPBQSA-N 1 1 377.513 4.294 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1ccccn1 ZINC000047888261 822616584 /nfs/dbraw/zinc/61/65/84/822616584.db2.gz NCKCERRXBYJUCW-OTWHNJEPSA-N 1 1 380.536 4.120 20 0 GIADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000184331046 822616635 /nfs/dbraw/zinc/61/66/35/822616635.db2.gz VCMBMPNGEWVSCV-SJORKVTESA-N 1 1 378.944 4.177 20 0 GIADMO O=C(CCc1ccccc1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000047894871 822617450 /nfs/dbraw/zinc/61/74/50/822617450.db2.gz DZHXSPNKWWGZCX-UHFFFAOYSA-N 1 1 390.449 4.419 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000455251205 822617858 /nfs/dbraw/zinc/61/78/58/822617858.db2.gz CVRIYVFYTJCGFE-RDJZCZTQSA-N 1 1 389.462 4.254 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000455254201 822618734 /nfs/dbraw/zinc/61/87/34/822618734.db2.gz WVUBCJZAAGXVJK-SYYKKAFVSA-N 1 1 393.531 4.062 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(Cl)s1)[NH+](C)C ZINC000047914174 822619141 /nfs/dbraw/zinc/61/91/41/822619141.db2.gz MAZRULREKOJECW-JSGCOSHPSA-N 1 1 381.929 4.073 20 0 GIADMO CC[C@@H]1C[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCO1 ZINC000180124119 822620280 /nfs/dbraw/zinc/62/02/80/822620280.db2.gz XCOYIUBDZJHZAT-NVXWUHKLSA-N 1 1 399.362 4.279 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cc3c(cc2C)OCO3)cc1 ZINC000180126668 822620860 /nfs/dbraw/zinc/62/08/60/822620860.db2.gz INFOPPCLBPZUCC-AWEZNQCLSA-N 1 1 378.432 4.101 20 0 GIADMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139631 822624545 /nfs/dbraw/zinc/62/45/45/822624545.db2.gz CMWVTLRGSQLJNK-OARUMGJZSA-N 1 1 378.520 4.023 20 0 GIADMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139631 822624548 /nfs/dbraw/zinc/62/45/48/822624548.db2.gz CMWVTLRGSQLJNK-OARUMGJZSA-N 1 1 378.520 4.023 20 0 GIADMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139631 822624550 /nfs/dbraw/zinc/62/45/50/822624550.db2.gz CMWVTLRGSQLJNK-OARUMGJZSA-N 1 1 378.520 4.023 20 0 GIADMO Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000184386549 822626170 /nfs/dbraw/zinc/62/61/70/822626170.db2.gz WYVADNSXHPGMLK-UHFFFAOYSA-N 1 1 375.460 4.207 20 0 GIADMO Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)CC2)nc1 ZINC000180149067 822626935 /nfs/dbraw/zinc/62/69/35/822626935.db2.gz ILUVKEYEXCTUPH-CWAQXLGLSA-N 1 1 390.575 4.144 20 0 GIADMO CC[C@@H]([NH2+]CC1(CN[C@@H](CC)c2nc(C)cs2)COC1)c1nc(C)cs1 ZINC000184398802 822628378 /nfs/dbraw/zinc/62/83/78/822628378.db2.gz QSFNANXRANWCCN-IYBDPMFKSA-N 1 1 394.610 4.015 20 0 GIADMO c1cn(CCc2ccncc2)nc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180157894 822629185 /nfs/dbraw/zinc/62/91/85/822629185.db2.gz DARJYGIDSDSWDD-NOTZXAQLSA-N 1 1 387.531 4.128 20 0 GIADMO C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1noc(-c2ccccc2)n1 ZINC000180170734 822631730 /nfs/dbraw/zinc/63/17/30/822631730.db2.gz BHQOOOIYFPJDAA-AGOPTVSRSA-N 1 1 388.515 4.298 20 0 GIADMO COc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1C(F)(F)F ZINC000455331009 822635644 /nfs/dbraw/zinc/63/56/44/822635644.db2.gz PONHVFBOHIGEFS-ZDUSSCGKSA-N 1 1 385.430 4.052 20 0 GIADMO CN(Cc1c(C2CC2)nc2sccn12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180196906 822637448 /nfs/dbraw/zinc/63/74/48/822637448.db2.gz CHMCJONOJJFDNE-GOSISDBHSA-N 1 1 380.561 4.227 20 0 GIADMO C[C@H](c1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000180199040 822637923 /nfs/dbraw/zinc/63/79/23/822637923.db2.gz FBNUMFJBTDJQIJ-CQSZACIVSA-N 1 1 394.393 4.231 20 0 GIADMO COCc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)sc2cccc(F)c21 ZINC000180202059 822638637 /nfs/dbraw/zinc/63/86/37/822638637.db2.gz FCTNTGTWJMQGJD-XLIONFOSSA-N 1 1 398.503 4.362 20 0 GIADMO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000180203477 822638827 /nfs/dbraw/zinc/63/88/27/822638827.db2.gz TWZKBRBWTMWGMK-YWZLYKJASA-N 1 1 387.321 4.139 20 0 GIADMO O=C(CCc1ccc2[nH]ccc2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000180205724 822639222 /nfs/dbraw/zinc/63/92/22/822639222.db2.gz WCQCRZNVKGKUCS-UHFFFAOYSA-N 1 1 389.543 4.268 20 0 GIADMO COc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c(C)cc1C ZINC000455356912 822639488 /nfs/dbraw/zinc/63/94/88/822639488.db2.gz FBELSOZSABZTDS-QGZVFWFLSA-N 1 1 381.520 4.298 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3c4c(ccc3Cl)CC(C)(C)O4)C2)C1 ZINC000455360316 822640312 /nfs/dbraw/zinc/64/03/12/822640312.db2.gz UNDKRRHWUSDHNM-HXUWFJFHSA-N 1 1 377.916 4.003 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000180215261 822640968 /nfs/dbraw/zinc/64/09/68/822640968.db2.gz DBAUYFPRRXMWDX-HNNXBMFYSA-N 1 1 376.342 4.161 20 0 GIADMO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)c1ccc(F)cc1 ZINC000184472423 822642099 /nfs/dbraw/zinc/64/20/99/822642099.db2.gz DVFCKOUJYPUPGL-RDBSUJKOSA-N 1 1 377.529 4.496 20 0 GIADMO Cc1ccc(OCc2ccccc2)c(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000455377358 822643241 /nfs/dbraw/zinc/64/32/41/822643241.db2.gz DJQUYZVAKLBXJH-QHCPKHFHSA-N 1 1 379.504 4.134 20 0 GIADMO Cc1cnc(CC[N@H+](C)Cc2ccc(Br)c3cccnc23)s1 ZINC000180226985 822643511 /nfs/dbraw/zinc/64/35/11/822643511.db2.gz QBCCZWAPXPFRSZ-UHFFFAOYSA-N 1 1 376.323 4.437 20 0 GIADMO O[C@H]1CCCC[C@H]1N1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180245447 822647523 /nfs/dbraw/zinc/64/75/23/822647523.db2.gz GAJVJQVTCLAULE-RPBOFIJWSA-N 1 1 378.560 4.176 20 0 GIADMO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180245506 822647602 /nfs/dbraw/zinc/64/76/02/822647602.db2.gz GAJVJQVTCLAULE-LOSJGSFVSA-N 1 1 378.560 4.176 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)N(C)CC3)CC[N@H+]1Cc1ccccc1 ZINC000180251437 822648333 /nfs/dbraw/zinc/64/83/33/822648333.db2.gz VZOLHJCXKMJFNA-PGRDOPGGSA-N 1 1 392.547 4.196 20 0 GIADMO OCC[C@H]([NH2+]Cc1cc(Br)cc(C(F)(F)F)c1)c1ccco1 ZINC000184518023 822649535 /nfs/dbraw/zinc/64/95/35/822649535.db2.gz RAPINGIGMHYLOX-ZDUSSCGKSA-N 1 1 378.188 4.274 20 0 GIADMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(Cl)cc3Cl)ccc2NC1=O ZINC000180259383 822649768 /nfs/dbraw/zinc/64/97/68/822649768.db2.gz ZUABDFITAKFJRG-QFYYESIMSA-N 1 1 380.275 4.349 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000184521272 822650230 /nfs/dbraw/zinc/65/02/30/822650230.db2.gz YJFLWDIDGSLIHA-YJBOKZPZSA-N 1 1 393.512 4.101 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C2)C1 ZINC000455430933 822652430 /nfs/dbraw/zinc/65/24/30/822652430.db2.gz JMCZVGRLQYKMFL-SFHVURJKSA-N 1 1 380.464 4.184 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000184535100 822652781 /nfs/dbraw/zinc/65/27/81/822652781.db2.gz AHWURPYYZIPAHY-HNNXBMFYSA-N 1 1 395.532 4.411 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180275582 822652777 /nfs/dbraw/zinc/65/27/77/822652777.db2.gz UIKPDCXMXCNBOL-FQEVSTJZSA-N 1 1 392.547 4.055 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000048359492 822655820 /nfs/dbraw/zinc/65/58/20/822655820.db2.gz PAYLTPBXTDKLJX-IRXDYDNUSA-N 1 1 391.515 4.016 20 0 GIADMO Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000184569620 822659015 /nfs/dbraw/zinc/65/90/15/822659015.db2.gz YWWFRPPVVCJSTN-AZUAARDMSA-N 1 1 395.551 4.299 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1cccc2cccnc21 ZINC000048402551 822659843 /nfs/dbraw/zinc/65/98/43/822659843.db2.gz GBQCOUWDESOTMQ-UHFFFAOYSA-N 1 1 390.531 4.117 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)c2ccc(F)cc2)cn1 ZINC000184610464 822665593 /nfs/dbraw/zinc/66/55/93/822665593.db2.gz QYZLRWAMOTXLDP-LJQANCHMSA-N 1 1 393.384 4.380 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000048478428 822666258 /nfs/dbraw/zinc/66/62/58/822666258.db2.gz HZNVOBWRHUOTNJ-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(-c3nc[nH]n3)cc2)c1 ZINC000184643201 822670179 /nfs/dbraw/zinc/67/01/79/822670179.db2.gz CJGSTVYNOOFVPF-UHFFFAOYSA-N 1 1 386.459 4.092 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455563128 822675081 /nfs/dbraw/zinc/67/50/81/822675081.db2.gz IOWZQYFKSYLSTB-OAHLLOKOSA-N 1 1 377.410 4.090 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(OC)c2O)cc1OC(F)F ZINC000184678879 822675051 /nfs/dbraw/zinc/67/50/51/822675051.db2.gz MJKJWGFIXQSDHG-UHFFFAOYSA-N 1 1 387.810 4.296 20 0 GIADMO CC(C)N1CCC([NH2+][C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)CC1 ZINC000180402086 822676035 /nfs/dbraw/zinc/67/60/35/822676035.db2.gz CDIVQVCGNQKUAS-XLIONFOSSA-N 1 1 378.532 4.297 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000184689062 822677023 /nfs/dbraw/zinc/67/70/23/822677023.db2.gz NFPVERZFHQHSJJ-UHFFFAOYSA-N 1 1 397.519 4.260 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)sc2C1 ZINC000184692189 822677673 /nfs/dbraw/zinc/67/76/73/822677673.db2.gz QRMJPDMHRZDWRE-UHFFFAOYSA-N 1 1 389.830 4.446 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)cc3C(F)(F)F)sc2C1 ZINC000184692189 822677677 /nfs/dbraw/zinc/67/76/77/822677677.db2.gz QRMJPDMHRZDWRE-UHFFFAOYSA-N 1 1 389.830 4.446 20 0 GIADMO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000180415771 822677882 /nfs/dbraw/zinc/67/78/82/822677882.db2.gz AQXBOWZHBKQBHA-CQSZACIVSA-N 1 1 396.373 4.019 20 0 GIADMO CC(C)Sc1cc(Br)ccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000180422103 822678881 /nfs/dbraw/zinc/67/88/81/822678881.db2.gz PRRJHISZESAKEY-UHFFFAOYSA-N 1 1 385.371 4.037 20 0 GIADMO Cc1scc(C(=O)Nc2ccnn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000180432250 822680676 /nfs/dbraw/zinc/68/06/76/822680676.db2.gz VLLJSGHGFRKFDZ-SFHVURJKSA-N 1 1 380.517 4.261 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(N3CCOCC3)c(C)c2)cc1 ZINC000180435568 822681241 /nfs/dbraw/zinc/68/12/41/822681241.db2.gz YCJLIBPZJULIGX-SFHVURJKSA-N 1 1 376.504 4.499 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000184721512 822681847 /nfs/dbraw/zinc/68/18/47/822681847.db2.gz SISXOKHMGORSFX-HNNXBMFYSA-N 1 1 396.878 4.333 20 0 GIADMO CCCOc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1OC ZINC000048776436 822682232 /nfs/dbraw/zinc/68/22/32/822682232.db2.gz SKWQQYUAJRQZKC-UHFFFAOYSA-N 1 1 391.515 4.448 20 0 GIADMO CC(C)c1csc([C@@H]2CCCN(C(=O)NCCCC[N@@H+](C)C3CC3)C2)n1 ZINC000455605408 822683241 /nfs/dbraw/zinc/68/32/41/822683241.db2.gz HFWHUJVKXYGTLW-MRXNPFEDSA-N 1 1 378.586 4.030 20 0 GIADMO CC[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000180446187 822683435 /nfs/dbraw/zinc/68/34/35/822683435.db2.gz MNMQYTUSIMITOR-VGSWGCGISA-N 1 1 382.504 4.221 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(F)F)C1 ZINC000455607945 822683583 /nfs/dbraw/zinc/68/35/83/822683583.db2.gz XIGJLGRPHYEITI-LMMKCTJWSA-N 1 1 379.495 4.289 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C2CC2)n1 ZINC000455608840 822683834 /nfs/dbraw/zinc/68/38/34/822683834.db2.gz BQJRHAZHPXPHAQ-LJQANCHMSA-N 1 1 378.520 4.335 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000455609173 822683852 /nfs/dbraw/zinc/68/38/52/822683852.db2.gz YUBIFQTWBBOTEB-LJQANCHMSA-N 1 1 391.437 4.049 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000455609173 822683855 /nfs/dbraw/zinc/68/38/55/822683855.db2.gz YUBIFQTWBBOTEB-LJQANCHMSA-N 1 1 391.437 4.049 20 0 GIADMO COCc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000048826112 822684869 /nfs/dbraw/zinc/68/48/69/822684869.db2.gz ZLSZHDDTUWRKQY-LJQANCHMSA-N 1 1 395.547 4.207 20 0 GIADMO COCc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000048826189 822684881 /nfs/dbraw/zinc/68/48/81/822684881.db2.gz RVFWQVDWGYBQCN-IBGZPJMESA-N 1 1 395.547 4.207 20 0 GIADMO CCc1cccc2c(C3CCN(C(=O)NCCCC[N@@H+](C)C4CC4)CC3)c[nH]c21 ZINC000455615887 822684947 /nfs/dbraw/zinc/68/49/47/822684947.db2.gz ONGFXTFEMGNGLA-UHFFFAOYSA-N 1 1 396.579 4.494 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC([C@H](F)c2ccccc2F)CC1)C1CC1 ZINC000455619255 822685338 /nfs/dbraw/zinc/68/53/38/822685338.db2.gz QWTUDDBWCRSNEY-FQEVSTJZSA-N 1 1 379.495 4.132 20 0 GIADMO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000180455430 822685472 /nfs/dbraw/zinc/68/54/72/822685472.db2.gz TZUGUPJZZJURII-DLBZAZTESA-N 1 1 398.359 4.194 20 0 GIADMO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000180455430 822685475 /nfs/dbraw/zinc/68/54/75/822685475.db2.gz TZUGUPJZZJURII-DLBZAZTESA-N 1 1 398.359 4.194 20 0 GIADMO CCCOc1c(Cl)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1OCC ZINC000180457840 822685890 /nfs/dbraw/zinc/68/58/90/822685890.db2.gz HDFBNVMDMNNEAL-WMZOPIPTSA-N 1 1 385.957 4.234 20 0 GIADMO CCCOc1c(Cl)cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1OCC ZINC000180457840 822685892 /nfs/dbraw/zinc/68/58/92/822685892.db2.gz HDFBNVMDMNNEAL-WMZOPIPTSA-N 1 1 385.957 4.234 20 0 GIADMO C[C@@H](NCc1cccc(SC(=O)N(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180464345 822686860 /nfs/dbraw/zinc/68/68/60/822686860.db2.gz NSZUDDLNJLVYQC-AEFFLSMTSA-N 1 1 375.582 4.203 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000180521470 822695383 /nfs/dbraw/zinc/69/53/83/822695383.db2.gz MQIOZSMRZKTYHQ-QGZVFWFLSA-N 1 1 395.334 4.129 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000180521470 822695385 /nfs/dbraw/zinc/69/53/85/822695385.db2.gz MQIOZSMRZKTYHQ-QGZVFWFLSA-N 1 1 395.334 4.129 20 0 GIADMO C[C@@H](CCNC(=O)Nc1ccc([C@@H]2CCOC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000455674794 822697710 /nfs/dbraw/zinc/69/77/10/822697710.db2.gz PYKNSYVOHPDENS-GHTZIAJQSA-N 1 1 381.520 4.223 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc3c(cn2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000455677174 822698357 /nfs/dbraw/zinc/69/83/57/822698357.db2.gz XJSJODGESRYTMM-UTKZUKDTSA-N 1 1 378.520 4.087 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@H](C)c2ccccc2N(C)C)cc1OC ZINC000180543511 822699312 /nfs/dbraw/zinc/69/93/12/822699312.db2.gz UUGJNEXJGPVDEK-CYBMUJFWSA-N 1 1 393.325 4.383 20 0 GIADMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)CC2 ZINC000180543342 822699330 /nfs/dbraw/zinc/69/93/30/822699330.db2.gz ASBUVYKJNZWFAF-KRWDZBQOSA-N 1 1 392.293 4.252 20 0 GIADMO COc1cc(F)cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000180557290 822701872 /nfs/dbraw/zinc/70/18/72/822701872.db2.gz ZYZYBRSLVIJEDP-DYESRHJHSA-N 1 1 399.510 4.029 20 0 GIADMO Cc1cc(C)n2c(C[N@@H+](Cc3ccccc3)C[C@H](O)c3ccsc3)cnc2n1 ZINC000180583550 822706194 /nfs/dbraw/zinc/70/61/94/822706194.db2.gz SDSAXQPAEPCUCY-NRFANRHFSA-N 1 1 392.528 4.143 20 0 GIADMO Cc1cc(C)n2c(C[N@H+](Cc3ccccc3)C[C@H](O)c3ccsc3)cnc2n1 ZINC000180583550 822706195 /nfs/dbraw/zinc/70/61/95/822706195.db2.gz SDSAXQPAEPCUCY-NRFANRHFSA-N 1 1 392.528 4.143 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N(C)Cc1csc2ccccc12)[NH+](C)C ZINC000049789726 822709514 /nfs/dbraw/zinc/70/95/14/822709514.db2.gz GWYSUPCORINFPI-IBGZPJMESA-N 1 1 397.544 4.354 20 0 GIADMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000180611755 822712120 /nfs/dbraw/zinc/71/21/20/822712120.db2.gz VUPBHDNLYXCUPG-SPLOXXLWSA-N 1 1 385.462 4.047 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cn(C)nc2C2CCCCC2)C1 ZINC000455719265 822712780 /nfs/dbraw/zinc/71/27/80/822712780.db2.gz SYUCEORWJBHZLX-KRWDZBQOSA-N 1 1 375.561 4.101 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2OCCF)[C@H]1c1cccs1 ZINC000455720627 822713298 /nfs/dbraw/zinc/71/32/98/822713298.db2.gz GMPNFDISEYJMFE-BEFAXECRSA-N 1 1 391.512 4.301 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2nc(CC(F)(F)F)cs2)c1 ZINC000455721295 822713482 /nfs/dbraw/zinc/71/34/82/822713482.db2.gz JXWPTUGEJIFEPY-UHFFFAOYSA-N 1 1 386.443 4.021 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc(F)c(F)c1F ZINC000050035802 822715431 /nfs/dbraw/zinc/71/54/31/822715431.db2.gz QMHZZAAVHVFRLZ-LBPRGKRZSA-N 1 1 383.439 4.199 20 0 GIADMO COc1ccc(Cl)c(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000050059724 822716616 /nfs/dbraw/zinc/71/66/16/822716616.db2.gz HDXLMOXUHJBYDQ-CQSZACIVSA-N 1 1 393.940 4.444 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+](C)C[C@@H]3CCCCO3)cs2)cc1OC ZINC000050075122 822717100 /nfs/dbraw/zinc/71/71/00/822717100.db2.gz NPUYPTVEXVHZRM-KRWDZBQOSA-N 1 1 376.522 4.218 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)C[C@@H]3CCCCO3)cs2)cc1OC ZINC000050075122 822717104 /nfs/dbraw/zinc/71/71/04/822717104.db2.gz NPUYPTVEXVHZRM-KRWDZBQOSA-N 1 1 376.522 4.218 20 0 GIADMO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1csc(CC(=O)N(C)C)n1 ZINC000184966040 822719517 /nfs/dbraw/zinc/71/95/17/822719517.db2.gz LBDVFYNAIJXOMR-SFHVURJKSA-N 1 1 399.585 4.217 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000184973535 822720243 /nfs/dbraw/zinc/72/02/43/822720243.db2.gz LFUALURYDQERIP-KRWDZBQOSA-N 1 1 380.517 4.209 20 0 GIADMO CCCCn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000184976001 822720614 /nfs/dbraw/zinc/72/06/14/822720614.db2.gz BFSYZWYVYGCFHE-GGAORHGYSA-N 1 1 394.563 4.118 20 0 GIADMO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S ZINC000184978704 822720945 /nfs/dbraw/zinc/72/09/45/822720945.db2.gz XTUUHHMTDLGMTK-LRDDRELGSA-N 1 1 391.566 4.454 20 0 GIADMO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S ZINC000184978704 822720946 /nfs/dbraw/zinc/72/09/46/822720946.db2.gz XTUUHHMTDLGMTK-LRDDRELGSA-N 1 1 391.566 4.454 20 0 GIADMO O=C(c1ccn(-c2ccccc2Cl)n1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000050333093 822726151 /nfs/dbraw/zinc/72/61/51/822726151.db2.gz NRTNRUAXLRQSMO-QGZVFWFLSA-N 1 1 392.890 4.151 20 0 GIADMO Cn1cc(-c2cc(C[N@H+]3CC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)on2)cn1 ZINC000185024749 822726456 /nfs/dbraw/zinc/72/64/56/822726456.db2.gz NLLDLDZYTFDBMA-CQSZACIVSA-N 1 1 393.274 4.035 20 0 GIADMO CSc1cccc(C)c1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000185026661 822726782 /nfs/dbraw/zinc/72/67/82/822726782.db2.gz FHTBDXJTFHUWQY-CALCHBBNSA-N 1 1 391.581 4.070 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ncc(C3CCOCC3)s2)CC1 ZINC000455806324 822729699 /nfs/dbraw/zinc/72/96/99/822729699.db2.gz XZZTZFYPBIZZJT-UHFFFAOYSA-N 1 1 394.585 4.013 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1nccs1 ZINC000185069835 822732480 /nfs/dbraw/zinc/73/24/80/822732480.db2.gz ROWRGHFRAWZKSD-FXAWDEMLSA-N 1 1 397.569 4.420 20 0 GIADMO CCCn1ncc(NC(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000455828933 822733137 /nfs/dbraw/zinc/73/31/37/822733137.db2.gz MCGKZCUHIVETPJ-FQEVSTJZSA-N 1 1 395.551 4.129 20 0 GIADMO O=C(C[NH2+][C@@H](CCO)c1ccco1)Nc1ccccc1Sc1ccccc1 ZINC000185076000 822733562 /nfs/dbraw/zinc/73/35/62/822733562.db2.gz RSVUFIAYOAJCMH-KRWDZBQOSA-N 1 1 382.485 4.083 20 0 GIADMO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)o1 ZINC000185077911 822733895 /nfs/dbraw/zinc/73/38/95/822733895.db2.gz GQWLKZOIZPMKBB-UHFFFAOYSA-N 1 1 399.441 4.055 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)c1nccs1 ZINC000185083928 822734577 /nfs/dbraw/zinc/73/45/77/822734577.db2.gz TYTXLKKLWXXWFQ-IBGZPJMESA-N 1 1 383.517 4.004 20 0 GIADMO CCCn1ncc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1C1CC1 ZINC000455842631 822735524 /nfs/dbraw/zinc/73/55/24/822735524.db2.gz ZNUTZTQPCZJRGF-UHFFFAOYSA-N 1 1 396.470 4.125 20 0 GIADMO C=CCSc1nc2ccccc2n1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000185099184 822736742 /nfs/dbraw/zinc/73/67/42/822736742.db2.gz CCTOFCCLXXUCTC-UHFFFAOYSA-N 1 1 383.439 4.115 20 0 GIADMO CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000050860813 822740084 /nfs/dbraw/zinc/74/00/84/822740084.db2.gz UXTJCNDBIFKGHT-KMDXXIMOSA-N 1 1 392.543 4.277 20 0 GIADMO Cc1ccc(C(=O)NC2CC[NH+](Cn3c4ccccc4oc3=S)CC2)s1 ZINC000050924295 822742688 /nfs/dbraw/zinc/74/26/88/822742688.db2.gz MQBQDEXMLKXSKG-UHFFFAOYSA-N 1 1 387.530 4.186 20 0 GIADMO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)C(C1CC1)C1CC1 ZINC000050989465 822743801 /nfs/dbraw/zinc/74/38/01/822743801.db2.gz YTWMAJLGGDJGSH-KRWDZBQOSA-N 1 1 383.517 4.139 20 0 GIADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000051053599 822745015 /nfs/dbraw/zinc/74/50/15/822745015.db2.gz NGXNTBBJDBYZFG-GBESFXJTSA-N 1 1 387.568 4.154 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000051058662 822745087 /nfs/dbraw/zinc/74/50/87/822745087.db2.gz MCGJUACZAGYORI-LSDHHAIUSA-N 1 1 378.467 4.121 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000051058662 822745091 /nfs/dbraw/zinc/74/50/91/822745091.db2.gz MCGJUACZAGYORI-LSDHHAIUSA-N 1 1 378.467 4.121 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000185170567 822745102 /nfs/dbraw/zinc/74/51/02/822745102.db2.gz POYBTJYLULEQIU-SFHVURJKSA-N 1 1 378.582 4.014 20 0 GIADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000051056889 822745150 /nfs/dbraw/zinc/74/51/50/822745150.db2.gz HRSZMLVAFVNEGM-LSDHHAIUSA-N 1 1 377.579 4.388 20 0 GIADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000051056889 822745152 /nfs/dbraw/zinc/74/51/52/822745152.db2.gz HRSZMLVAFVNEGM-LSDHHAIUSA-N 1 1 377.579 4.388 20 0 GIADMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000051059395 822745364 /nfs/dbraw/zinc/74/53/64/822745364.db2.gz HEZMOTLHUKYWER-INIZCTEOSA-N 1 1 375.900 4.123 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000185179871 822746158 /nfs/dbraw/zinc/74/61/58/822746158.db2.gz YQRWFDLMVCTTJC-WFASDCNBSA-N 1 1 397.828 4.004 20 0 GIADMO C[N@H+](Cc1nc(-c2ccc(F)cc2)no1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133701 822747776 /nfs/dbraw/zinc/74/77/76/822747776.db2.gz CWYQLBDVQNEMAJ-GHTZIAJQSA-N 1 1 381.451 4.475 20 0 GIADMO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)N2CCCC2)o1 ZINC000455919608 822749448 /nfs/dbraw/zinc/74/94/48/822749448.db2.gz LIAFBLXUWIVDHP-LEWJYISDSA-N 1 1 396.535 4.096 20 0 GIADMO O=C(C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)Nc1cccc(F)c1 ZINC000051188762 822749942 /nfs/dbraw/zinc/74/99/42/822749942.db2.gz XLLHSZFKNIWCLZ-UHFFFAOYSA-N 1 1 399.853 4.181 20 0 GIADMO COc1cc(C[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C2CC2)ccc1OC(F)F ZINC000051262189 822752556 /nfs/dbraw/zinc/75/25/56/822752556.db2.gz PEIBSTWJQQYVNE-QGZVFWFLSA-N 1 1 399.384 4.273 20 0 GIADMO CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H](C)Cc2ccc(OC)c(F)c2)n1 ZINC000185256897 822755382 /nfs/dbraw/zinc/75/53/82/822755382.db2.gz PGQHFRMCYAYGIV-UONOGXRCSA-N 1 1 381.517 4.342 20 0 GIADMO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H](C)Cc2ccc(OC)c(F)c2)n1 ZINC000185256897 822755384 /nfs/dbraw/zinc/75/53/84/822755384.db2.gz PGQHFRMCYAYGIV-UONOGXRCSA-N 1 1 381.517 4.342 20 0 GIADMO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1)c1ccccc1 ZINC000185259866 822755858 /nfs/dbraw/zinc/75/58/58/822755858.db2.gz HDQUUXGAFUQYEC-UZLBHIALSA-N 1 1 384.495 4.367 20 0 GIADMO Cc1ncc(C[N@@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000051408090 822758847 /nfs/dbraw/zinc/75/88/47/822758847.db2.gz CIMDZJSEYZLYGP-GGAORHGYSA-N 1 1 396.556 4.359 20 0 GIADMO O=C(Nc1ccc2cnccc2c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455969047 822759016 /nfs/dbraw/zinc/75/90/16/822759016.db2.gz KPBZDPHZZZXQEY-DEOSSOPVSA-N 1 1 386.499 4.365 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000174281750 822762558 /nfs/dbraw/zinc/76/25/58/822762558.db2.gz UWYCQUQKLHUKEC-AWEZNQCLSA-N 1 1 383.414 4.215 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000174288634 822763783 /nfs/dbraw/zinc/76/37/83/822763783.db2.gz URXFAJFNVDUVMP-HNNXBMFYSA-N 1 1 396.457 4.484 20 0 GIADMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000051531151 822764348 /nfs/dbraw/zinc/76/43/48/822764348.db2.gz YXOAKJSGFUKEMM-IIBYNOLFSA-N 1 1 384.545 4.181 20 0 GIADMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000051531153 822764585 /nfs/dbraw/zinc/76/45/85/822764585.db2.gz YXOAKJSGFUKEMM-IERDGZPVSA-N 1 1 384.545 4.181 20 0 GIADMO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2Br)c1 ZINC000051533610 822764794 /nfs/dbraw/zinc/76/47/94/822764794.db2.gz DPLJKCLKXROBTK-UHFFFAOYSA-N 1 1 391.309 4.307 20 0 GIADMO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)c1 ZINC000051533610 822764799 /nfs/dbraw/zinc/76/47/99/822764799.db2.gz DPLJKCLKXROBTK-UHFFFAOYSA-N 1 1 391.309 4.307 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC[N@H+]1C ZINC000185317845 822765066 /nfs/dbraw/zinc/76/50/66/822765066.db2.gz VYOULKNBFOSECS-FXAWDEMLSA-N 1 1 399.510 4.029 20 0 GIADMO C[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1cn(C)c2ccccc12 ZINC000185324641 822766027 /nfs/dbraw/zinc/76/60/27/822766027.db2.gz QPUPQHSPWOZTNT-MSOLQXFVSA-N 1 1 391.515 4.314 20 0 GIADMO CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000185325958 822766326 /nfs/dbraw/zinc/76/63/26/822766326.db2.gz ILGWAGSDHGWBQI-FDDCHVKYSA-N 1 1 393.531 4.449 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C2CC2)s1 ZINC000185340043 822768381 /nfs/dbraw/zinc/76/83/81/822768381.db2.gz JFWCHQYAXNXUGY-IAQYHMDHSA-N 1 1 381.448 4.121 20 0 GIADMO CC(C)Cn1ncc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185349496 822769426 /nfs/dbraw/zinc/76/94/26/822769426.db2.gz RUFGBKUPNOGBDL-QFIPXVFZSA-N 1 1 394.563 4.057 20 0 GIADMO CC(C)(C)Oc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000174322389 822770695 /nfs/dbraw/zinc/77/06/95/822770695.db2.gz YCZFEMUAXSHTEB-QGZVFWFLSA-N 1 1 380.410 4.199 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)s1 ZINC000185359404 822771021 /nfs/dbraw/zinc/77/10/21/822771021.db2.gz XZMZQVSSEXZGMN-ZUZCIYMTSA-N 1 1 394.884 4.081 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185360177 822771258 /nfs/dbraw/zinc/77/12/58/822771258.db2.gz JMOYOFUPXGHJSI-SJCJKPOMSA-N 1 1 393.940 4.490 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)c(F)c1F ZINC000174326943 822771510 /nfs/dbraw/zinc/77/15/10/822771510.db2.gz UWUHGFBJZVGXPC-INIZCTEOSA-N 1 1 391.437 4.480 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000174328279 822771635 /nfs/dbraw/zinc/77/16/35/822771635.db2.gz OZHRCHPOUXMUFD-CQSZACIVSA-N 1 1 377.410 4.232 20 0 GIADMO CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000174342073 822775119 /nfs/dbraw/zinc/77/51/19/822775119.db2.gz VLOAODXOOBWQGL-KBPBESRZSA-N 1 1 398.956 4.046 20 0 GIADMO CC1CCC([N@@H+](C)CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000051802349 822779286 /nfs/dbraw/zinc/77/92/86/822779286.db2.gz FLEKVUSCUZBKIY-UHFFFAOYSA-N 1 1 384.520 4.123 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000174379391 822780922 /nfs/dbraw/zinc/78/09/22/822780922.db2.gz XLOCYIFAPRRLHK-LJQANCHMSA-N 1 1 397.519 4.080 20 0 GIADMO Cc1cc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c(OC(F)F)cc1C ZINC000174379756 822780929 /nfs/dbraw/zinc/78/09/29/822780929.db2.gz GWBOLPHXIIYYGT-UHFFFAOYSA-N 1 1 382.495 4.030 20 0 GIADMO Cc1nnc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)c2)o1 ZINC000174388636 822782172 /nfs/dbraw/zinc/78/21/72/822782172.db2.gz VPCHENDDVSUHIP-SFHVURJKSA-N 1 1 394.450 4.035 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(COc4ccccc4F)on3)c2C1 ZINC000185439524 822784163 /nfs/dbraw/zinc/78/41/63/822784163.db2.gz FICZFLRUPZULJQ-UHFFFAOYSA-N 1 1 395.434 4.371 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(COc4ccccc4F)on3)c2C1 ZINC000185439524 822784164 /nfs/dbraw/zinc/78/41/64/822784164.db2.gz FICZFLRUPZULJQ-UHFFFAOYSA-N 1 1 395.434 4.371 20 0 GIADMO Cc1cccc(Cl)c1NC(=O)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185459115 822786886 /nfs/dbraw/zinc/78/68/86/822786886.db2.gz HBKUUMQFBCSRNW-OAHLLOKOSA-N 1 1 377.941 4.027 20 0 GIADMO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000185465312 822787520 /nfs/dbraw/zinc/78/75/20/822787520.db2.gz VGQMXRWEEQCSPB-UGKGYDQZSA-N 1 1 380.532 4.016 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3Cc3cccc(F)c3)n2)c(OC)c1 ZINC000052035195 822788853 /nfs/dbraw/zinc/78/88/53/822788853.db2.gz NYVHCKQIBMGNDQ-KRWDZBQOSA-N 1 1 397.450 4.100 20 0 GIADMO CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000174431262 822789216 /nfs/dbraw/zinc/78/92/16/822789216.db2.gz BJSWXLAXHOQCOW-KJNZLNQQSA-N 1 1 390.593 4.042 20 0 GIADMO CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000174431262 822789217 /nfs/dbraw/zinc/78/92/17/822789217.db2.gz BJSWXLAXHOQCOW-KJNZLNQQSA-N 1 1 390.593 4.042 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3nc(C)c(C)s3)c2)cc1 ZINC000174434188 822789612 /nfs/dbraw/zinc/78/96/12/822789612.db2.gz MHMJGLYVCYLHCA-UHFFFAOYSA-N 1 1 381.501 4.311 20 0 GIADMO Cc1cc2nn(CN3CCC[N@H+](C(C)(C)C)CC3)c(=S)n2c2ccccc12 ZINC000052087320 822790166 /nfs/dbraw/zinc/79/01/66/822790166.db2.gz ZVQNCJMDYOZIST-UHFFFAOYSA-N 1 1 383.565 4.091 20 0 GIADMO CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc1 ZINC000174450048 822791243 /nfs/dbraw/zinc/79/12/43/822791243.db2.gz XFMXNRDWGLJTSU-UHFFFAOYSA-N 1 1 377.488 4.160 20 0 GIADMO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cccc(C[N@H+](C)CC)c2)s1 ZINC000174450757 822791484 /nfs/dbraw/zinc/79/14/84/822791484.db2.gz AWNNXUIDIITFAB-MRXNPFEDSA-N 1 1 388.581 4.368 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000052158881 822791643 /nfs/dbraw/zinc/79/16/43/822791643.db2.gz KDCPRJWAWMSQTB-LJQANCHMSA-N 1 1 399.579 4.108 20 0 GIADMO CC1CCN(C(=O)C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)CC1 ZINC000052159498 822791786 /nfs/dbraw/zinc/79/17/86/822791786.db2.gz VDICDWQBZLYQEH-UHFFFAOYSA-N 1 1 397.588 4.204 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000185506844 822791780 /nfs/dbraw/zinc/79/17/80/822791780.db2.gz PRMTYQIJRVGRGU-HFCFLWKCSA-N 1 1 382.470 4.497 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000052186002 822792799 /nfs/dbraw/zinc/79/27/99/822792799.db2.gz RHRDWDFXXHEFNP-UHFFFAOYSA-N 1 1 377.579 4.342 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000174459459 822793053 /nfs/dbraw/zinc/79/30/53/822793053.db2.gz WNROCQSYMJMYCT-KXBFYZLASA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000174459459 822793054 /nfs/dbraw/zinc/79/30/54/822793054.db2.gz WNROCQSYMJMYCT-KXBFYZLASA-N 1 1 388.895 4.139 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccccn1 ZINC000052218191 822793444 /nfs/dbraw/zinc/79/34/44/822793444.db2.gz OGQTZDBUACNHPL-JOCHJYFZSA-N 1 1 379.529 4.259 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccccn1 ZINC000052218191 822793446 /nfs/dbraw/zinc/79/34/46/822793446.db2.gz OGQTZDBUACNHPL-JOCHJYFZSA-N 1 1 379.529 4.259 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)c1cccc(F)c1 ZINC000052310121 822795796 /nfs/dbraw/zinc/79/57/96/822795796.db2.gz SOAUVDUFAKLEHN-INIZCTEOSA-N 1 1 385.266 4.127 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)c1cccc(F)c1 ZINC000052310121 822795799 /nfs/dbraw/zinc/79/57/99/822795799.db2.gz SOAUVDUFAKLEHN-INIZCTEOSA-N 1 1 385.266 4.127 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 ZINC000174489922 822796197 /nfs/dbraw/zinc/79/61/97/822796197.db2.gz SWTWWSPMCMVNIT-GOSISDBHSA-N 1 1 393.506 4.243 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000174494271 822796600 /nfs/dbraw/zinc/79/66/00/822796600.db2.gz QMQGHMQVCHQQDJ-CQSZACIVSA-N 1 1 385.558 4.439 20 0 GIADMO CC[C@@](C)([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1nc(C)cs1 ZINC000174498578 822797204 /nfs/dbraw/zinc/79/72/04/822797204.db2.gz WPFJKVBWNYJSRK-QGZVFWFLSA-N 1 1 397.338 4.400 20 0 GIADMO COc1ccccc1[C@@H](C)CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456318658 822797987 /nfs/dbraw/zinc/79/79/87/822797987.db2.gz BAUNZEAYYRMURL-PMACEKPBSA-N 1 1 380.532 4.169 20 0 GIADMO COc1ccc2c(c1)c(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)c(C)n2C1CCCC1 ZINC000456322819 822798347 /nfs/dbraw/zinc/79/83/47/822798347.db2.gz SSZIIJBCZUUKLB-JLYLLQBASA-N 1 1 395.547 4.428 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456349527 822801065 /nfs/dbraw/zinc/80/10/65/822801065.db2.gz VVRPFQIKQHVIFV-ZDUSSCGKSA-N 1 1 397.466 4.064 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](Cc2ccccc2)C2CC2)c(OC)c1 ZINC000052507477 822802051 /nfs/dbraw/zinc/80/20/51/822802051.db2.gz BKMYIXNAAMCKHN-QFIPXVFZSA-N 1 1 394.515 4.032 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2)C2CC2)c(OC)c1 ZINC000052507477 822802055 /nfs/dbraw/zinc/80/20/55/822802055.db2.gz BKMYIXNAAMCKHN-QFIPXVFZSA-N 1 1 394.515 4.032 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1Br)Cc1ccc(F)cc1F ZINC000052506961 822802080 /nfs/dbraw/zinc/80/20/80/822802080.db2.gz SQPIGIIFVSTZNO-UHFFFAOYSA-N 1 1 383.236 4.188 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1Br)Cc1ccc(F)c(F)c1 ZINC000052518537 822802374 /nfs/dbraw/zinc/80/23/74/822802374.db2.gz LYTJYAGCABQYFJ-UHFFFAOYSA-N 1 1 383.236 4.188 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000174546964 822803549 /nfs/dbraw/zinc/80/35/49/822803549.db2.gz NMDJUFURBTZKLK-AWEZNQCLSA-N 1 1 383.323 4.424 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000174549503 822803854 /nfs/dbraw/zinc/80/38/54/822803854.db2.gz NBORTXNDOYMTTD-CYBMUJFWSA-N 1 1 381.293 4.140 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000174549503 822803856 /nfs/dbraw/zinc/80/38/56/822803856.db2.gz NBORTXNDOYMTTD-CYBMUJFWSA-N 1 1 381.293 4.140 20 0 GIADMO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000174554446 822804381 /nfs/dbraw/zinc/80/43/81/822804381.db2.gz BGUPUTXZRCIFLR-CQSZACIVSA-N 1 1 393.329 4.010 20 0 GIADMO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000174554446 822804384 /nfs/dbraw/zinc/80/43/84/822804384.db2.gz BGUPUTXZRCIFLR-CQSZACIVSA-N 1 1 393.329 4.010 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000174558419 822804935 /nfs/dbraw/zinc/80/49/35/822804935.db2.gz PKLGGIYKDFBHRS-UHFFFAOYSA-N 1 1 375.885 4.207 20 0 GIADMO CCOc1c(Cl)cc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1OC ZINC000185639258 822805387 /nfs/dbraw/zinc/80/53/87/822805387.db2.gz LEIKIUMHMIORLZ-UHFFFAOYSA-N 1 1 375.896 4.231 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccs1 ZINC000185644788 822806047 /nfs/dbraw/zinc/80/60/47/822806047.db2.gz HMNNYCWKRHXEHM-MEDUHNTESA-N 1 1 384.332 4.263 20 0 GIADMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)cc1 ZINC000185658497 822807464 /nfs/dbraw/zinc/80/74/64/822807464.db2.gz UPQURRCVEJWJOT-ZDUSSCGKSA-N 1 1 388.514 4.274 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(F)c(Cl)c3F)cc2)CC1 ZINC000185666877 822808341 /nfs/dbraw/zinc/80/83/41/822808341.db2.gz MSCOKYBCDBXKBD-UHFFFAOYSA-N 1 1 379.838 4.012 20 0 GIADMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc2ccccc21 ZINC000185678500 822809412 /nfs/dbraw/zinc/80/94/12/822809412.db2.gz OMLJSIFXKBKYCJ-BJLQDIEVSA-N 1 1 379.548 4.409 20 0 GIADMO COc1ccc(-n2c(C[N@@H+](C[C@H]3CCOC3)C3CC3)nc3ccccc32)cc1 ZINC000052774598 822810173 /nfs/dbraw/zinc/81/01/73/822810173.db2.gz SBQKHHILLKZWIP-QGZVFWFLSA-N 1 1 377.488 4.035 20 0 GIADMO C[N@@H+](CCSc1nnc(Cc2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000185691377 822810550 /nfs/dbraw/zinc/81/05/50/822810550.db2.gz OTGFGFWBLFEZOI-UHFFFAOYSA-N 1 1 375.444 4.163 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C(F)F)cc2)C1 ZINC000185698549 822811279 /nfs/dbraw/zinc/81/12/79/822811279.db2.gz SGUBBKPFHXTRAY-WMZOPIPTSA-N 1 1 379.495 4.420 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2csc3ccccc23)c(OC)c1 ZINC000052806120 822811604 /nfs/dbraw/zinc/81/16/04/822811604.db2.gz JVHAGLKDEOMYHX-AWEZNQCLSA-N 1 1 384.501 4.378 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2csc3ccccc23)c(OC)c1 ZINC000052806120 822811606 /nfs/dbraw/zinc/81/16/06/822811606.db2.gz JVHAGLKDEOMYHX-AWEZNQCLSA-N 1 1 384.501 4.378 20 0 GIADMO CC(C)[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174608531 822812004 /nfs/dbraw/zinc/81/20/04/822812004.db2.gz UDKNTMQAXNWLJQ-FGTMMUONSA-N 1 1 383.458 4.281 20 0 GIADMO Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nn1C(C)(C)C ZINC000052822691 822812045 /nfs/dbraw/zinc/81/20/45/822812045.db2.gz ZTTDQXPGDUKSMQ-LJQANCHMSA-N 1 1 388.943 4.167 20 0 GIADMO Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nn1C(C)(C)C ZINC000052822690 822812067 /nfs/dbraw/zinc/81/20/67/822812067.db2.gz ZTTDQXPGDUKSMQ-IBGZPJMESA-N 1 1 388.943 4.167 20 0 GIADMO COc1ccc(-c2noc([C@H](C)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)cc1 ZINC000185712107 822813059 /nfs/dbraw/zinc/81/30/59/822813059.db2.gz INCGIPKKGXATEE-SOLBZPMBSA-N 1 1 384.524 4.049 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1Br)[C@H](C)c1cccc(O)c1 ZINC000174618007 822813303 /nfs/dbraw/zinc/81/33/03/822813303.db2.gz SUVZSMDACXYGPT-CYBMUJFWSA-N 1 1 377.282 4.176 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1Br)[C@H](C)c1cccc(O)c1 ZINC000174618007 822813307 /nfs/dbraw/zinc/81/33/07/822813307.db2.gz SUVZSMDACXYGPT-CYBMUJFWSA-N 1 1 377.282 4.176 20 0 GIADMO O=C(C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccc(F)cc1Cl ZINC000052865465 822813327 /nfs/dbraw/zinc/81/33/27/822813327.db2.gz SXKACMDPQNRNGL-KRWDZBQOSA-N 1 1 376.859 4.099 20 0 GIADMO O=C(C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)Nc1ccc(F)cc1Cl ZINC000052865465 822813329 /nfs/dbraw/zinc/81/33/29/822813329.db2.gz SXKACMDPQNRNGL-KRWDZBQOSA-N 1 1 376.859 4.099 20 0 GIADMO CCN(C(=O)C[N@H+](CC)[C@H](C)c1cccc(O)c1)c1nc2ccccc2s1 ZINC000174620621 822813592 /nfs/dbraw/zinc/81/35/92/822813592.db2.gz OXTFAHKKEQGQDY-OAHLLOKOSA-N 1 1 383.517 4.438 20 0 GIADMO CCN(C(=O)C[N@@H+](CC)[C@H](C)c1cccc(O)c1)c1nc2ccccc2s1 ZINC000174620621 822813594 /nfs/dbraw/zinc/81/35/94/822813594.db2.gz OXTFAHKKEQGQDY-OAHLLOKOSA-N 1 1 383.517 4.438 20 0 GIADMO C[NH+](C)[C@H](C(=O)N[C@@H]1CCO[C@H](c2cccs2)C1)c1cccc(Cl)c1 ZINC000456544155 822814609 /nfs/dbraw/zinc/81/46/09/822814609.db2.gz PZTDTACNAAOVEH-RYRKJORJSA-N 1 1 378.925 4.041 20 0 GIADMO CCOc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000174631840 822814833 /nfs/dbraw/zinc/81/48/33/822814833.db2.gz USRNSMWRWSFZIO-QHCPKHFHSA-N 1 1 395.524 4.368 20 0 GIADMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000052906646 822814938 /nfs/dbraw/zinc/81/49/38/822814938.db2.gz AKMMQLGSSNJBDP-GOSISDBHSA-N 1 1 390.874 4.399 20 0 GIADMO CCc1ccc([C@@H]([NH2+]Cc2cccnc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174634026 822815336 /nfs/dbraw/zinc/81/53/36/822815336.db2.gz QHZGWCROAFPZBS-HSZRJFAPSA-N 1 1 394.540 4.235 20 0 GIADMO COc1ccc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1OCc1cccnc1 ZINC000174636364 822815770 /nfs/dbraw/zinc/81/57/70/822815770.db2.gz VFYLOXOENXCCCK-QFIPXVFZSA-N 1 1 395.547 4.023 20 0 GIADMO COc1ccc(C[NH2+][C@H]2CCN(CC3CCCC3)C2)cc1OCc1cccnc1 ZINC000174636364 822815771 /nfs/dbraw/zinc/81/57/71/822815771.db2.gz VFYLOXOENXCCCK-QFIPXVFZSA-N 1 1 395.547 4.023 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748326 822817302 /nfs/dbraw/zinc/81/73/02/822817302.db2.gz SZPRKQKRLXHXIS-JAXLGGSGSA-N 1 1 385.596 4.055 20 0 GIADMO C[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751898 822817586 /nfs/dbraw/zinc/81/75/86/822817586.db2.gz UGFOIUUYCMUXQO-UONOGXRCSA-N 1 1 384.351 4.175 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc3ccccc32)c1 ZINC000053017345 822818762 /nfs/dbraw/zinc/81/87/62/822818762.db2.gz BLOCIYWCBGAOGR-MRXNPFEDSA-N 1 1 375.472 4.257 20 0 GIADMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000053049271 822819707 /nfs/dbraw/zinc/81/97/07/822819707.db2.gz FWOXWQNUAAZSML-UHFFFAOYSA-N 1 1 393.462 4.009 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H]3Cc3cccc(F)c3)cc(=O)oc2c1 ZINC000053076283 822820535 /nfs/dbraw/zinc/82/05/35/822820535.db2.gz WYTYIQBTHAWDAK-FQEVSTJZSA-N 1 1 394.446 4.098 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677488 822822060 /nfs/dbraw/zinc/82/20/60/822822060.db2.gz BBEYIPGBTBLNJP-QGZVFWFLSA-N 1 1 391.437 4.245 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000053112907 822822220 /nfs/dbraw/zinc/82/22/20/822822220.db2.gz FCPGSTWBUAIEDY-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000053112907 822822223 /nfs/dbraw/zinc/82/22/23/822822223.db2.gz FCPGSTWBUAIEDY-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053112830 822822251 /nfs/dbraw/zinc/82/22/51/822822251.db2.gz FIKMFICVWXMUDF-CYBMUJFWSA-N 1 1 393.409 4.123 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053112830 822822252 /nfs/dbraw/zinc/82/22/52/822822252.db2.gz FIKMFICVWXMUDF-CYBMUJFWSA-N 1 1 393.409 4.123 20 0 GIADMO CCCCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)n1 ZINC000185804799 822822851 /nfs/dbraw/zinc/82/28/51/822822851.db2.gz UXHWSGCSRLNHQV-WIYYLYMNSA-N 1 1 382.552 4.117 20 0 GIADMO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000185807534 822823049 /nfs/dbraw/zinc/82/30/49/822823049.db2.gz XRWWCRDTNLSLPX-IEBWSBKVSA-N 1 1 392.590 4.450 20 0 GIADMO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000185807551 822823128 /nfs/dbraw/zinc/82/31/28/822823128.db2.gz XRWWCRDTNLSLPX-MJGOQNOKSA-N 1 1 392.590 4.450 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000053211351 822826140 /nfs/dbraw/zinc/82/61/40/822826140.db2.gz AETGHWIXOCHXPO-OAQYLSRUSA-N 1 1 380.536 4.472 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCC2(c3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000174709068 822826799 /nfs/dbraw/zinc/82/67/99/822826799.db2.gz DHLBJRXLAAJNFZ-YLJYHZDGSA-N 1 1 383.561 4.162 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(C2SCCS2)c1 ZINC000174719556 822828161 /nfs/dbraw/zinc/82/81/61/822828161.db2.gz QGZGKXJDAYVAHZ-UHFFFAOYSA-N 1 1 376.551 4.272 20 0 GIADMO Cc1ncsc1CN(C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000174724047 822828782 /nfs/dbraw/zinc/82/87/82/822828782.db2.gz FOPJAFJLCGJUED-UHFFFAOYSA-N 1 1 379.529 4.112 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C)cc1Cl ZINC000053279475 822828916 /nfs/dbraw/zinc/82/89/16/822828916.db2.gz MRKJTKKOGYYPMK-GOSISDBHSA-N 1 1 388.895 4.441 20 0 GIADMO Cc1nc(COc2cccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2)cs1 ZINC000053285534 822829272 /nfs/dbraw/zinc/82/92/72/822829272.db2.gz QYKCFOQHKBCBNW-MRXNPFEDSA-N 1 1 387.549 4.025 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000174732678 822829951 /nfs/dbraw/zinc/82/99/51/822829951.db2.gz YJUXJBHGMNYAAO-KGLIPLIRSA-N 1 1 386.367 4.395 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NC2(Cc3ccccc3)CCOCC2)cc1)C1CC1 ZINC000456796792 822832001 /nfs/dbraw/zinc/83/20/01/822832001.db2.gz WCIAUYSUSUJJEP-UHFFFAOYSA-N 1 1 392.543 4.193 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC[N@H+]1C ZINC000174780137 822835903 /nfs/dbraw/zinc/83/59/03/822835903.db2.gz DFNFFBWFMRPMGJ-OXJNMPFZSA-N 1 1 395.507 4.277 20 0 GIADMO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)cc2F)n1 ZINC000174786067 822836669 /nfs/dbraw/zinc/83/66/69/822836669.db2.gz BOHAGGUWQKPSRE-MOPGFXCFSA-N 1 1 399.514 4.107 20 0 GIADMO CC[C@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1nc(C(F)(F)F)cs1 ZINC000185955953 822836953 /nfs/dbraw/zinc/83/69/53/822836953.db2.gz HQXFQCZNRGROLJ-KBPBESRZSA-N 1 1 388.455 4.259 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000185965340 822838529 /nfs/dbraw/zinc/83/85/29/822838529.db2.gz FXRHCJDQBDHIAZ-LAUBAEHRSA-N 1 1 389.503 4.251 20 0 GIADMO CCC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1Br)c1cccnc1 ZINC000185984960 822841051 /nfs/dbraw/zinc/84/10/51/822841051.db2.gz KGACJVYWLKDZJC-MRXNPFEDSA-N 1 1 379.298 4.492 20 0 GIADMO C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826160 822842482 /nfs/dbraw/zinc/84/24/82/822842482.db2.gz ACGFYRXMRNTUHJ-UHFFFAOYSA-N 1 1 389.471 4.312 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000456978688 822844356 /nfs/dbraw/zinc/84/43/56/822844356.db2.gz AFLXCEPHFBUKBY-RUZDIDTESA-N 1 1 399.538 4.105 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN[C@H](c3ccccc3)C2)c1 ZINC000456978689 822844402 /nfs/dbraw/zinc/84/44/02/822844402.db2.gz AFLXCEPHFBUKBY-VWLOTQADSA-N 1 1 399.538 4.105 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC[N@H+]1C ZINC000174841615 822845024 /nfs/dbraw/zinc/84/50/24/822845024.db2.gz DDOKTTJWHHKJMK-OXJNMPFZSA-N 1 1 385.483 4.351 20 0 GIADMO COc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000053710572 822845320 /nfs/dbraw/zinc/84/53/20/822845320.db2.gz MUVUMBMQGQXUQR-MRXNPFEDSA-N 1 1 390.911 4.303 20 0 GIADMO COc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000053710572 822845322 /nfs/dbraw/zinc/84/53/22/822845322.db2.gz MUVUMBMQGQXUQR-MRXNPFEDSA-N 1 1 390.911 4.303 20 0 GIADMO O=C(Cc1csc(-c2ccccc2)n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000053721477 822846051 /nfs/dbraw/zinc/84/60/51/822846051.db2.gz KQDHEXUVNSWOML-UHFFFAOYSA-N 1 1 391.540 4.087 20 0 GIADMO CC[C@@H](NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)c1nc(C(F)(F)F)cs1 ZINC000174856388 822847119 /nfs/dbraw/zinc/84/71/19/822847119.db2.gz ROEBNLADVDDCSY-UKRRQHHQSA-N 1 1 385.455 4.422 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ncoc2-c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000186050463 822847294 /nfs/dbraw/zinc/84/72/94/822847294.db2.gz NSTDYMRPFDCJIA-HNAYVOBHSA-N 1 1 399.491 4.355 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1OC ZINC000053780443 822847985 /nfs/dbraw/zinc/84/79/85/822847985.db2.gz OYSZLYAGTMWXEU-JOCHJYFZSA-N 1 1 376.456 4.173 20 0 GIADMO CC(=O)Nc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000053811519 822849109 /nfs/dbraw/zinc/84/91/09/822849109.db2.gz JUBKLVNSAQLBML-MRXNPFEDSA-N 1 1 397.494 4.089 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3scnc3Cl)cc2)C1 ZINC000053813278 822849144 /nfs/dbraw/zinc/84/91/44/822849144.db2.gz CGBISBZTDBMYRJ-OKILXGFUSA-N 1 1 377.941 4.204 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC000186079360 822849845 /nfs/dbraw/zinc/84/98/45/822849845.db2.gz UXYCOIRHZQHEIF-UHFFFAOYSA-N 1 1 386.414 4.377 20 0 GIADMO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC[C@@H]1c1ccccc1 ZINC000174889990 822851310 /nfs/dbraw/zinc/85/13/10/822851310.db2.gz YYJQDJGOMCCPMS-GCJKJVERSA-N 1 1 379.504 4.099 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCO2 ZINC000174891861 822851590 /nfs/dbraw/zinc/85/15/90/822851590.db2.gz XESSXXIGOJTABS-UHFFFAOYSA-N 1 1 391.471 4.168 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCO2 ZINC000174891861 822851593 /nfs/dbraw/zinc/85/15/93/822851593.db2.gz XESSXXIGOJTABS-UHFFFAOYSA-N 1 1 391.471 4.168 20 0 GIADMO OCCC[N@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1CCCc2ccccc21 ZINC000174908672 822854329 /nfs/dbraw/zinc/85/43/29/822854329.db2.gz WCQSLMGLAYBCMR-OAQYLSRUSA-N 1 1 379.529 4.467 20 0 GIADMO OCCC[N@@H+](Cc1csc(-c2ccccn2)n1)[C@@H]1CCCc2ccccc21 ZINC000174908672 822854333 /nfs/dbraw/zinc/85/43/33/822854333.db2.gz WCQSLMGLAYBCMR-OAQYLSRUSA-N 1 1 379.529 4.467 20 0 GIADMO Cc1oc2ccccc2c1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000186135580 822854591 /nfs/dbraw/zinc/85/45/91/822854591.db2.gz ZXHNODXTGQMHES-LEWJYISDSA-N 1 1 397.563 4.150 20 0 GIADMO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174913925 822855007 /nfs/dbraw/zinc/85/50/07/822855007.db2.gz OLLJENRNOMVLTM-HLLBOEOZSA-N 1 1 399.457 4.119 20 0 GIADMO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174913925 822855010 /nfs/dbraw/zinc/85/50/10/822855010.db2.gz OLLJENRNOMVLTM-HLLBOEOZSA-N 1 1 399.457 4.119 20 0 GIADMO CCSCc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)no1 ZINC000186140644 822855222 /nfs/dbraw/zinc/85/52/22/822855222.db2.gz PPELQXPMEDYDLY-MRXNPFEDSA-N 1 1 379.570 4.044 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC[N@H+]1C ZINC000174928588 822857112 /nfs/dbraw/zinc/85/71/12/822857112.db2.gz OHNMKIMXHDHWFN-OXQOHEQNSA-N 1 1 385.483 4.351 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000174927603 822857239 /nfs/dbraw/zinc/85/72/39/822857239.db2.gz ZBHCTLWPVWLSIW-INIZCTEOSA-N 1 1 394.412 4.439 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457160988 822858114 /nfs/dbraw/zinc/85/81/14/822858114.db2.gz BYTDPXWBDROTRR-UHFFFAOYSA-N 1 1 395.425 4.273 20 0 GIADMO C[N@@H+](CCCCNC(=O)COc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000457160429 822858171 /nfs/dbraw/zinc/85/81/71/822858171.db2.gz BOXMDNRAXKCXFU-UHFFFAOYSA-N 1 1 379.715 4.016 20 0 GIADMO Cc1cc2cc(C(=O)NCCCC[N@H+](C)C3CC3)oc2c(Br)c1 ZINC000457164221 822858268 /nfs/dbraw/zinc/85/82/68/822858268.db2.gz IGIQAPRDRIFBQC-UHFFFAOYSA-N 1 1 379.298 4.108 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000174938342 822858413 /nfs/dbraw/zinc/85/84/13/822858413.db2.gz PEEIWUHFQGASND-CEWLAPEOSA-N 1 1 382.935 4.424 20 0 GIADMO Cc1cc2c(o1)c(C(=O)NCCCC[N@H+](C)C1CC1)ccc2Br ZINC000457166654 822858428 /nfs/dbraw/zinc/85/84/28/822858428.db2.gz LIUKDGXKSCGJNU-UHFFFAOYSA-N 1 1 379.298 4.108 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1 ZINC000054011535 822858715 /nfs/dbraw/zinc/85/87/15/822858715.db2.gz YZJHKIMEDHHOPO-IERDGZPVSA-N 1 1 391.471 4.222 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1 ZINC000054011311 822858725 /nfs/dbraw/zinc/85/87/25/822858725.db2.gz PFZBIUIUXGNPBK-UHFFFAOYSA-N 1 1 385.471 4.493 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COc2ccc(F)cc2F)c1 ZINC000054011751 822858743 /nfs/dbraw/zinc/85/87/43/822858743.db2.gz MLBYKZCDHRFBIE-UHFFFAOYSA-N 1 1 385.414 4.351 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1 ZINC000054011531 822858751 /nfs/dbraw/zinc/85/87/51/822858751.db2.gz YZJHKIMEDHHOPO-IIBYNOLFSA-N 1 1 391.471 4.222 20 0 GIADMO CCCc1noc(CCCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1 ZINC000054012183 822858824 /nfs/dbraw/zinc/85/88/24/822858824.db2.gz PCRKZDIYDVWYNC-UHFFFAOYSA-N 1 1 395.507 4.352 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCc2nc(C(C)(C)C)no2)c1 ZINC000054011911 822858867 /nfs/dbraw/zinc/85/88/67/822858867.db2.gz FLMYSSFRNOZYMY-UHFFFAOYSA-N 1 1 395.507 4.307 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)cc1OC ZINC000186183870 822858944 /nfs/dbraw/zinc/85/89/44/822858944.db2.gz DNRDZOFYEPJWFT-LLVKDONJSA-N 1 1 383.275 4.300 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000174942754 822858997 /nfs/dbraw/zinc/85/89/97/822858997.db2.gz MBOWVOWLBFJUIJ-KRWDZBQOSA-N 1 1 397.569 4.466 20 0 GIADMO CC(C)c1c(C(=O)NCCCC[N@@H+](C)C2CC2)cnn1-c1cccc(Cl)c1 ZINC000457193309 822859828 /nfs/dbraw/zinc/85/98/28/822859828.db2.gz CXJFTNRAERFNIJ-UHFFFAOYSA-N 1 1 388.943 4.253 20 0 GIADMO COc1ccccc1[C@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174950395 822859958 /nfs/dbraw/zinc/85/99/58/822859958.db2.gz OPLHQPRPTSLYEA-TZIWHRDSSA-N 1 1 380.532 4.169 20 0 GIADMO C[N@@H+](CCCCNC(=O)C1(c2cccc(Br)c2)CCCC1)C1CC1 ZINC000457198704 822860509 /nfs/dbraw/zinc/86/05/09/822860509.db2.gz KFTPXTWOZMXWRP-UHFFFAOYSA-N 1 1 393.369 4.252 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000174956912 822861061 /nfs/dbraw/zinc/86/10/61/822861061.db2.gz CJUXNPBVWKEEOS-SFHVURJKSA-N 1 1 395.934 4.344 20 0 GIADMO Cc1cccc2c(CCC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH]c21 ZINC000174957008 822861090 /nfs/dbraw/zinc/86/10/90/822861090.db2.gz LPZNHJOUJIFERS-NRFANRHFSA-N 1 1 389.543 4.389 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@@H](C)c3c(F)cccc3Cl)CC2)[nH+]c1 ZINC000174958402 822861325 /nfs/dbraw/zinc/86/13/25/822861325.db2.gz ZWPSAPZWTLHGLN-AWEZNQCLSA-N 1 1 375.875 4.276 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1Br ZINC000174960536 822861736 /nfs/dbraw/zinc/86/17/36/822861736.db2.gz IFUVSMSTQXPSGH-OAHLLOKOSA-N 1 1 393.350 4.105 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000174964789 822862125 /nfs/dbraw/zinc/86/21/25/822862125.db2.gz REERFEABVHQKSB-QGZVFWFLSA-N 1 1 392.421 4.179 20 0 GIADMO Cc1ccc(-c2cc(C(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)on2)cc1 ZINC000174969127 822862546 /nfs/dbraw/zinc/86/25/46/822862546.db2.gz YYVBPOSZCJKACQ-FQEVSTJZSA-N 1 1 389.499 4.244 20 0 GIADMO COc1ccccc1/C(C)=C/C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174971321 822862901 /nfs/dbraw/zinc/86/29/01/822862901.db2.gz SAQSNYNTFVIZMI-JENJNIGESA-N 1 1 378.516 4.079 20 0 GIADMO O=C(c1ccc(-c2cnco2)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000054130065 822863531 /nfs/dbraw/zinc/86/35/31/822863531.db2.gz YACPORVDZFWXLW-UHFFFAOYSA-N 1 1 397.478 4.453 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Cc1coc2ccc3ccccc3c12 ZINC000054164789 822864700 /nfs/dbraw/zinc/86/47/00/822864700.db2.gz XNDKFSKOHOYWGZ-UHFFFAOYSA-N 1 1 396.450 4.334 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000054164817 822864781 /nfs/dbraw/zinc/86/47/81/822864781.db2.gz PDIXLAYIEIXDFF-UHFFFAOYSA-N 1 1 398.466 4.085 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000054172833 822865649 /nfs/dbraw/zinc/86/56/49/822865649.db2.gz JYQWZEDYBGINOV-SFHVURJKSA-N 1 1 393.388 4.307 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000054182353 822866359 /nfs/dbraw/zinc/86/63/59/822866359.db2.gz CBRQYYYZLIQFOX-INIZCTEOSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000054182353 822866361 /nfs/dbraw/zinc/86/63/61/822866361.db2.gz CBRQYYYZLIQFOX-INIZCTEOSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000054182117 822866454 /nfs/dbraw/zinc/86/64/54/822866454.db2.gz QMZGXOFPLJIMGB-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000054182117 822866458 /nfs/dbraw/zinc/86/64/58/822866458.db2.gz QMZGXOFPLJIMGB-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1ccccc1SC(F)F ZINC000175011629 822866975 /nfs/dbraw/zinc/86/69/75/822866975.db2.gz LKBYJVHGNIVPJS-UHFFFAOYSA-N 1 1 383.489 4.455 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)c2ccccc12)c1nc(-c2nc[nH]n2)no1 ZINC000568983980 822867355 /nfs/dbraw/zinc/86/73/55/822867355.db2.gz SHIBTGSHTHKQPA-MRXNPFEDSA-N 1 1 382.855 4.148 20 0 GIADMO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)c2ccccc21 ZINC000186287810 822871152 /nfs/dbraw/zinc/87/11/52/822871152.db2.gz FCFFKWVXPZIWTJ-RTBURBONSA-N 1 1 383.513 4.331 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000054286809 822873132 /nfs/dbraw/zinc/87/31/32/822873132.db2.gz JCCFEXGRDLXOFH-CQSZACIVSA-N 1 1 377.579 4.041 20 0 GIADMO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCCOc3c(Cl)cccc32)c2ccccc21 ZINC000186309758 822874326 /nfs/dbraw/zinc/87/43/26/822874326.db2.gz NCLSSEYPAWPMNA-IAGOWNOFSA-N 1 1 377.893 4.062 20 0 GIADMO CCN(C(=O)Cc1csc(-c2ccoc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186313601 822874904 /nfs/dbraw/zinc/87/49/04/822874904.db2.gz LERSNKPJYBTMFM-HXUWFJFHSA-N 1 1 395.528 4.069 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000175058989 822875336 /nfs/dbraw/zinc/87/53/36/822875336.db2.gz MPVPOPPMOPUNCB-UHFFFAOYSA-N 1 1 394.479 4.029 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000186325478 822876311 /nfs/dbraw/zinc/87/63/11/822876311.db2.gz SOUFFUYFEGDDLF-XZOQPEGZSA-N 1 1 392.547 4.147 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000186327110 822876609 /nfs/dbraw/zinc/87/66/09/822876609.db2.gz RDPJIPGRNKOYGG-LEOXJPRUSA-N 1 1 392.547 4.085 20 0 GIADMO CC[C@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1nc(C)cs1 ZINC000186330386 822876963 /nfs/dbraw/zinc/87/69/63/822876963.db2.gz JBESQFIMYYGPJT-OALUTQOASA-N 1 1 386.565 4.112 20 0 GIADMO Cc1nc2ccccc2nc1C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339368 822877103 /nfs/dbraw/zinc/87/71/03/822877103.db2.gz YEGIRLQEGSZCND-VQTJNVASSA-N 1 1 388.298 4.335 20 0 GIADMO Cc1nc2ccccc2nc1C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339368 822877106 /nfs/dbraw/zinc/87/71/06/822877106.db2.gz YEGIRLQEGSZCND-VQTJNVASSA-N 1 1 388.298 4.335 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC(OC2CCCC2)CC1)C1CC1 ZINC000186331963 822877291 /nfs/dbraw/zinc/87/72/91/822877291.db2.gz RNUFNOANAVCYCJ-QHCPKHFHSA-N 1 1 399.579 4.030 20 0 GIADMO CCN(C(=O)c1cnc2onc(C(C)C)c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186332198 822877397 /nfs/dbraw/zinc/87/73/97/822877397.db2.gz BLFNAKDDWBAFSV-IBGZPJMESA-N 1 1 392.503 4.083 20 0 GIADMO C[C@@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F)C1CCC1 ZINC000457470962 822878198 /nfs/dbraw/zinc/87/81/98/822878198.db2.gz VVVQOPNXLZEQSQ-LSDHHAIUSA-N 1 1 375.488 4.013 20 0 GIADMO C[C@@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)C1CCC1 ZINC000457470962 822878202 /nfs/dbraw/zinc/87/82/02/822878202.db2.gz VVVQOPNXLZEQSQ-LSDHHAIUSA-N 1 1 375.488 4.013 20 0 GIADMO O=C(c1ccsc1)N1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000054364243 822878656 /nfs/dbraw/zinc/87/86/56/822878656.db2.gz SNMOXOOYDRGBGC-UHFFFAOYSA-N 1 1 385.920 4.298 20 0 GIADMO O=C(c1ccsc1)N1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000054364243 822878659 /nfs/dbraw/zinc/87/86/59/822878659.db2.gz SNMOXOOYDRGBGC-UHFFFAOYSA-N 1 1 385.920 4.298 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000569088932 822879092 /nfs/dbraw/zinc/87/90/92/822879092.db2.gz VZGPSCAWMFJYFS-MDOVXXIYSA-N 1 1 398.469 4.162 20 0 GIADMO CC(C)Nc1ncccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175083775 822879430 /nfs/dbraw/zinc/87/94/30/822879430.db2.gz UJAQZPDAJKNJHD-QUCCMNQESA-N 1 1 380.536 4.027 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186348723 822879761 /nfs/dbraw/zinc/87/97/61/822879761.db2.gz KUEUGWAEDUQQSN-UHFFFAOYSA-N 1 1 382.504 4.409 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186348723 822879766 /nfs/dbraw/zinc/87/97/66/822879766.db2.gz KUEUGWAEDUQQSN-UHFFFAOYSA-N 1 1 382.504 4.409 20 0 GIADMO C[C@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCC1(F)F ZINC000569108586 822880359 /nfs/dbraw/zinc/88/03/59/822880359.db2.gz QLFZVNGBPLZSIG-INIZCTEOSA-N 1 1 391.462 4.098 20 0 GIADMO C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCC1(F)F ZINC000569108586 822880363 /nfs/dbraw/zinc/88/03/63/822880363.db2.gz QLFZVNGBPLZSIG-INIZCTEOSA-N 1 1 391.462 4.098 20 0 GIADMO CCN(C(=O)c1cc(Br)co1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000457492793 822881348 /nfs/dbraw/zinc/88/13/48/822881348.db2.gz PPECIZCRAQGJGI-PBHICJAKSA-N 1 1 391.309 4.340 20 0 GIADMO Cc1cc(C[N@H+](C)CC(=O)Nc2ccc(O)cc2)cc(C)c1OCC(F)(F)F ZINC000054396424 822881896 /nfs/dbraw/zinc/88/18/96/822881896.db2.gz LDOBCPWGAPCQMN-UHFFFAOYSA-N 1 1 396.409 4.021 20 0 GIADMO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccc(O)cc2)cc(C)c1OCC(F)(F)F ZINC000054396424 822881902 /nfs/dbraw/zinc/88/19/02/822881902.db2.gz LDOBCPWGAPCQMN-UHFFFAOYSA-N 1 1 396.409 4.021 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccc(OC(F)F)c2)C1 ZINC000054410480 822883164 /nfs/dbraw/zinc/88/31/64/822883164.db2.gz PYQJBXRDDDHYRM-YOEHRIQHSA-N 1 1 375.419 4.245 20 0 GIADMO O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000175110590 822884133 /nfs/dbraw/zinc/88/41/33/822884133.db2.gz IVKFNVSRAIAZRM-QFIPXVFZSA-N 1 1 399.485 4.032 20 0 GIADMO O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000175110590 822884137 /nfs/dbraw/zinc/88/41/37/822884137.db2.gz IVKFNVSRAIAZRM-QFIPXVFZSA-N 1 1 399.485 4.032 20 0 GIADMO COc1ccc(C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C2CC2)cc1 ZINC000054427718 822884154 /nfs/dbraw/zinc/88/41/54/822884154.db2.gz KXGWRRKVOHKDTO-UHFFFAOYSA-N 1 1 388.895 4.350 20 0 GIADMO CCCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1OC ZINC000569155356 822885286 /nfs/dbraw/zinc/88/52/86/822885286.db2.gz CLLICJWXCMPWAM-VSKRKVRLSA-N 1 1 381.516 4.489 20 0 GIADMO CC(=O)Nc1ccc(Cl)c(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000054446274 822886709 /nfs/dbraw/zinc/88/67/09/822886709.db2.gz ZYTPCXZEXZFZKM-OKILXGFUSA-N 1 1 394.947 4.176 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(F)(F)[C@@H](C)C2)C1 ZINC000569165489 822886919 /nfs/dbraw/zinc/88/69/19/822886919.db2.gz QWYZVOBSHOHGRT-SJORKVTESA-N 1 1 379.495 4.105 20 0 GIADMO Cc1cc(N(C)C)ccc1-c1noc(-c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000569169916 822887904 /nfs/dbraw/zinc/88/79/04/822887904.db2.gz 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O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000054513695 822891992 /nfs/dbraw/zinc/89/19/92/822891992.db2.gz RRYXVGDODXBKEL-ZDUSSCGKSA-N 1 1 379.279 4.213 20 0 GIADMO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000054513695 822891993 /nfs/dbraw/zinc/89/19/93/822891993.db2.gz RRYXVGDODXBKEL-ZDUSSCGKSA-N 1 1 379.279 4.213 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000457568036 822892435 /nfs/dbraw/zinc/89/24/35/822892435.db2.gz ZNWNTECNWLYLRM-OAHLLOKOSA-N 1 1 398.532 4.180 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Br)co2)CC[N@H+]1Cc1ccccc1 ZINC000457572499 822893036 /nfs/dbraw/zinc/89/30/36/822893036.db2.gz IVLNDXRCQMXFNR-YOEHRIQHSA-N 1 1 391.309 4.167 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC000569219603 822894027 /nfs/dbraw/zinc/89/40/27/822894027.db2.gz VIHYHPPYJGQRFZ-GFCCVEGCSA-N 1 1 393.837 4.434 20 0 GIADMO Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000569238251 822895408 /nfs/dbraw/zinc/89/54/08/822895408.db2.gz ISDOPNLLODOYGO-KDYSTLNUSA-N 1 1 384.545 4.215 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186441543 822896306 /nfs/dbraw/zinc/89/63/06/822896306.db2.gz SOOSIXVVNVDAIA-QFIPXVFZSA-N 1 1 379.891 4.466 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186441543 822896312 /nfs/dbraw/zinc/89/63/12/822896312.db2.gz SOOSIXVVNVDAIA-QFIPXVFZSA-N 1 1 379.891 4.466 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000054606335 822898553 /nfs/dbraw/zinc/89/85/53/822898553.db2.gz DPSUZXOSMBHMOO-UHFFFAOYSA-N 1 1 385.471 4.071 20 0 GIADMO CCc1ccc([C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2C)C(C)C)cc1 ZINC000054607481 822898766 /nfs/dbraw/zinc/89/87/66/822898766.db2.gz ZLVKYFZSONCYRF-OAQYLSRUSA-N 1 1 391.519 4.335 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000054609246 822898830 /nfs/dbraw/zinc/89/88/30/822898830.db2.gz ANLNZSXLBFCVNG-LJQANCHMSA-N 1 1 395.894 4.276 20 0 GIADMO CCc1cc(CCC[N@H+](CC)CC(=O)Nc2c(Cl)cccc2Cl)on1 ZINC000569274238 822899592 /nfs/dbraw/zinc/89/95/92/822899592.db2.gz ZHRVKILJASGJTK-UHFFFAOYSA-N 1 1 384.307 4.437 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C2CC2)n1 ZINC000186467025 822900059 /nfs/dbraw/zinc/90/00/59/822900059.db2.gz RTTFPBLFGOFWKR-GOEBONIOSA-N 1 1 395.450 4.317 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)CC(F)(F)F ZINC000457652731 822901723 /nfs/dbraw/zinc/90/17/23/822901723.db2.gz AUJUJBTZGXPVSY-RHSMWYFYSA-N 1 1 394.441 4.166 20 0 GIADMO O=C(CC[N@H+]1CCc2sccc2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000054670683 822903541 /nfs/dbraw/zinc/90/35/41/822903541.db2.gz FYGVWJUHNXPZPI-NRFANRHFSA-N 1 1 382.554 4.464 20 0 GIADMO C[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1nc2c(s1)CCC2 ZINC000569313944 822906215 /nfs/dbraw/zinc/90/62/15/822906215.db2.gz XEKLIAAUPACMKW-ZBFHGGJFSA-N 1 1 398.576 4.316 20 0 GIADMO CO[C@H](C)c1nc(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cs1 ZINC000175218903 822907354 /nfs/dbraw/zinc/90/73/54/822907354.db2.gz ZODCMQLQQQXNCO-CQSZACIVSA-N 1 1 388.512 4.444 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccco2)C1 ZINC000054718173 822907386 /nfs/dbraw/zinc/90/73/86/822907386.db2.gz XIFYVRGNJPSULA-QUCCMNQESA-N 1 1 393.487 4.420 20 0 GIADMO CO[C@H](C)c1nc(C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cs1 ZINC000175218903 822907357 /nfs/dbraw/zinc/90/73/57/822907357.db2.gz ZODCMQLQQQXNCO-CQSZACIVSA-N 1 1 388.512 4.444 20 0 GIADMO CC[C@H](CC(F)F)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457694808 822907674 /nfs/dbraw/zinc/90/76/74/822907674.db2.gz RSGCCLZKEQMGQB-CJBNDPTMSA-N 1 1 376.850 4.270 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000054726118 822907779 /nfs/dbraw/zinc/90/77/79/822907779.db2.gz WRCLROUYQFBBNG-KDURUIRLSA-N 1 1 399.579 4.047 20 0 GIADMO CCOc1cc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1OC ZINC000175227519 822909075 /nfs/dbraw/zinc/90/90/75/822909075.db2.gz MXMXWPYJOJYFLW-SFHVURJKSA-N 1 1 397.519 4.222 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000054758969 822910592 /nfs/dbraw/zinc/91/05/92/822910592.db2.gz WAYYOBAASOADRN-UHFFFAOYSA-N 1 1 397.357 4.042 20 0 GIADMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054762203 822910954 /nfs/dbraw/zinc/91/09/54/822910954.db2.gz MNGPOVSAMZOIPR-MRXNPFEDSA-N 1 1 382.533 4.131 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000186551831 822911773 /nfs/dbraw/zinc/91/17/73/822911773.db2.gz AUJFXBSGIPMSBQ-GQIGUUNPSA-N 1 1 388.533 4.136 20 0 GIADMO O=C(Nc1cccc(COCc2ccco2)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000175243117 822912359 /nfs/dbraw/zinc/91/23/59/822912359.db2.gz JLVWVXVJAQOEIS-NRFANRHFSA-N 1 1 397.519 4.382 20 0 GIADMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000457737270 822912799 /nfs/dbraw/zinc/91/27/99/822912799.db2.gz PVDFZNSAJJJOMH-HXUWFJFHSA-N 1 1 399.966 4.284 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc(OC)c1O ZINC000569386346 822914371 /nfs/dbraw/zinc/91/43/71/822914371.db2.gz BGVAJWMDMYOXGG-HNNXBMFYSA-N 1 1 384.501 4.399 20 0 GIADMO CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)Cc1ccc(OC)c(OC)c1 ZINC000054808513 822914615 /nfs/dbraw/zinc/91/46/15/822914615.db2.gz BBRNERXDVUJXDS-UHFFFAOYSA-N 1 1 396.531 4.352 20 0 GIADMO CCc1ccc2c(C[NH2+]C(C)(C)c3nc4ccccc4n3C)cc(=O)oc2c1 ZINC000186568991 822914992 /nfs/dbraw/zinc/91/49/92/822914992.db2.gz HXULDEPKUAKMGX-UHFFFAOYSA-N 1 1 375.472 4.267 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)CCN2CCN(C)CC2)CCC3)cc1 ZINC000186575797 822916043 /nfs/dbraw/zinc/91/60/43/822916043.db2.gz IYOYVPXBVISHHY-ICSRJNTNSA-N 1 1 398.620 4.112 20 0 GIADMO Cc1cc(Br)c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000457764283 822916525 /nfs/dbraw/zinc/91/65/25/822916525.db2.gz LJSVEGCEZWWMQA-HNNXBMFYSA-N 1 1 393.350 4.071 20 0 GIADMO CC[NH+](CC)[C@@H](CNCc1cncc(Br)c1)c1cccc(OC)c1 ZINC000186581654 822916904 /nfs/dbraw/zinc/91/69/04/822916904.db2.gz NPFICWPOHHFLGQ-IBGZPJMESA-N 1 1 392.341 4.025 20 0 GIADMO COc1ccccc1-c1nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(=S)n1C ZINC000175261602 822918075 /nfs/dbraw/zinc/91/80/75/822918075.db2.gz DRXZGEJDTQORNB-SJLPKXTDSA-N 1 1 394.544 4.462 20 0 GIADMO COc1ccccc1-c1nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c(=S)n1C ZINC000175261602 822918079 /nfs/dbraw/zinc/91/80/79/822918079.db2.gz DRXZGEJDTQORNB-SJLPKXTDSA-N 1 1 394.544 4.462 20 0 GIADMO OC1(Cc2cccc(F)c2)CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000186588311 822918384 /nfs/dbraw/zinc/91/83/84/822918384.db2.gz IFCJPDWHRFWVTH-UHFFFAOYSA-N 1 1 384.314 4.219 20 0 GIADMO COc1ccc(OC(F)F)c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186589269 822918643 /nfs/dbraw/zinc/91/86/43/822918643.db2.gz KDTHAHDAHKFUQT-UHFFFAOYSA-N 1 1 395.421 4.005 20 0 GIADMO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cncc(Br)c2)C1 ZINC000186590631 822918952 /nfs/dbraw/zinc/91/89/52/822918952.db2.gz KGWSZDKHVDHTLL-INIZCTEOSA-N 1 1 388.353 4.366 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cncc(Br)c2)C1 ZINC000186590631 822918954 /nfs/dbraw/zinc/91/89/54/822918954.db2.gz KGWSZDKHVDHTLL-INIZCTEOSA-N 1 1 388.353 4.366 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000569412916 822919044 /nfs/dbraw/zinc/91/90/44/822919044.db2.gz PYGGVPSQTTZJDH-UHFFFAOYSA-N 1 1 388.899 4.282 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000186593816 822920200 /nfs/dbraw/zinc/92/02/00/822920200.db2.gz RNHXRWYYKQCJGO-VQTJNVASSA-N 1 1 399.554 4.081 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000175272791 822921513 /nfs/dbraw/zinc/92/15/13/822921513.db2.gz KHLXBQGDBOOOCG-GOSISDBHSA-N 1 1 394.544 4.122 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000569433269 822922490 /nfs/dbraw/zinc/92/24/90/822922490.db2.gz PEIOWDCAEZRHGT-WIYYLYMNSA-N 1 1 380.536 4.371 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000569433269 822922493 /nfs/dbraw/zinc/92/24/93/822922493.db2.gz PEIOWDCAEZRHGT-WIYYLYMNSA-N 1 1 380.536 4.371 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC(F)F)c1 ZINC000175278403 822922836 /nfs/dbraw/zinc/92/28/36/822922836.db2.gz VXKZZOAKZPBDAQ-GOSISDBHSA-N 1 1 388.458 4.272 20 0 GIADMO CCN(C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)[C@H](C)c1cccc(OC)c1 ZINC000175281395 822923393 /nfs/dbraw/zinc/92/33/93/822923393.db2.gz HUSAQYUEFFCARQ-GOSISDBHSA-N 1 1 396.535 4.160 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@H](c4cnn(C)c4)C(C)(C)C3)n2)ccc1F ZINC000569469382 822926766 /nfs/dbraw/zinc/92/67/66/822926766.db2.gz WNVMNPSBOBRDBF-WMLDXEAASA-N 1 1 383.471 4.104 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000175294349 822927195 /nfs/dbraw/zinc/92/71/95/822927195.db2.gz VTCWJWSHORJPTF-HNNXBMFYSA-N 1 1 392.952 4.248 20 0 GIADMO CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000186637493 822927503 /nfs/dbraw/zinc/92/75/03/822927503.db2.gz WRNCLVLGLWVGOE-DENIHFKCSA-N 1 1 381.451 4.161 20 0 GIADMO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186645131 822928900 /nfs/dbraw/zinc/92/89/00/822928900.db2.gz VYYFWFDEAJFLLQ-WAIKUNEKSA-N 1 1 389.478 4.494 20 0 GIADMO CC(C)C(=O)Nc1ccc(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569489701 822929114 /nfs/dbraw/zinc/92/91/14/822929114.db2.gz NPOUEFQZHKELCY-HSZRJFAPSA-N 1 1 394.519 4.067 20 0 GIADMO C[C@@H](CNC(=O)N(C)Cc1cc2ccccc2o1)[N@@H+]1CCc2sccc2C1 ZINC000175319022 822933680 /nfs/dbraw/zinc/93/36/80/822933680.db2.gz BSGBEUNPZCARPT-HNNXBMFYSA-N 1 1 383.517 4.083 20 0 GIADMO C[C@@H](CNC(=O)N(C)Cc1cc2ccccc2o1)[N@H+]1CCc2sccc2C1 ZINC000175319022 822933684 /nfs/dbraw/zinc/93/36/84/822933684.db2.gz BSGBEUNPZCARPT-HNNXBMFYSA-N 1 1 383.517 4.083 20 0 GIADMO Clc1cnc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)s1 ZINC000569527460 822934612 /nfs/dbraw/zinc/93/46/12/822934612.db2.gz KLZRTLCOTWBNCH-AUUYWEPGSA-N 1 1 386.908 4.400 20 0 GIADMO Clc1cnc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)s1 ZINC000569527460 822934616 /nfs/dbraw/zinc/93/46/16/822934616.db2.gz KLZRTLCOTWBNCH-AUUYWEPGSA-N 1 1 386.908 4.400 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186678890 822935650 /nfs/dbraw/zinc/93/56/50/822935650.db2.gz OGTGZMNDTWRCPN-OBWXTZQISA-N 1 1 390.483 4.130 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186678890 822935651 /nfs/dbraw/zinc/93/56/51/822935651.db2.gz OGTGZMNDTWRCPN-OBWXTZQISA-N 1 1 390.483 4.130 20 0 GIADMO C[N@@H+]1CC[C@H](N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000569533227 822935795 /nfs/dbraw/zinc/93/57/95/822935795.db2.gz FJIQGISFXQDQLS-VXNXHJTFSA-N 1 1 385.511 4.401 20 0 GIADMO C[N@H+]1CC[C@H](N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000569533227 822935798 /nfs/dbraw/zinc/93/57/98/822935798.db2.gz FJIQGISFXQDQLS-VXNXHJTFSA-N 1 1 385.511 4.401 20 0 GIADMO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cccc1-c1ncco1 ZINC000569561831 822940254 /nfs/dbraw/zinc/94/02/54/822940254.db2.gz KIUUCCNIOQFSAT-VQTJNVASSA-N 1 1 376.460 4.217 20 0 GIADMO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000569562314 822940567 /nfs/dbraw/zinc/94/05/67/822940567.db2.gz IPBFZXGZSFEXGU-QUFMSWDXSA-N 1 1 392.543 4.128 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000055152639 822941468 /nfs/dbraw/zinc/94/14/68/822941468.db2.gz UYWFAXJTLIOXKM-VXGBXAGGSA-N 1 1 380.847 4.174 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186712320 822942405 /nfs/dbraw/zinc/94/24/05/822942405.db2.gz AKXHGYDALCKJOI-JOCHJYFZSA-N 1 1 378.497 4.450 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186712320 822942408 /nfs/dbraw/zinc/94/24/08/822942408.db2.gz AKXHGYDALCKJOI-JOCHJYFZSA-N 1 1 378.497 4.450 20 0 GIADMO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)[C@@H]1[C@@H]1CCCO1 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O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC(c2ccc(Cl)cc2)C1 ZINC000458264455 822975545 /nfs/dbraw/zinc/97/55/45/822975545.db2.gz MAFOTPRLVPHQNF-LJQANCHMSA-N 1 1 397.950 4.013 20 0 GIADMO COc1ccc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c(OCc2cccnc2)c1 ZINC000569854426 822976057 /nfs/dbraw/zinc/97/60/57/822976057.db2.gz RVQGRTFHTOJKNZ-MWTRTKDXSA-N 1 1 396.462 4.020 20 0 GIADMO CSCc1cccc(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000186896000 822976265 /nfs/dbraw/zinc/97/62/65/822976265.db2.gz XVSZDUWADDHYFC-JOCHJYFZSA-N 1 1 397.588 4.213 20 0 GIADMO CCN(C(C)=O)c1nc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000569860641 822977538 /nfs/dbraw/zinc/97/75/38/822977538.db2.gz IBADUYDCKYVBDQ-HNNXBMFYSA-N 1 1 385.455 4.027 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc3c2CC(=O)CC3)cc1 ZINC000569859724 822977543 /nfs/dbraw/zinc/97/75/43/822977543.db2.gz IUFLDGIKASWTHI-KRWDZBQOSA-N 1 1 376.500 4.371 20 0 GIADMO C[C@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ncc(Br)cc1F ZINC000186906527 822977730 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GIADMO Fc1cccc(F)c1-c1csc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)n1 ZINC000569873836 822979202 /nfs/dbraw/zinc/97/92/02/822979202.db2.gz QJPIJZVNPWTDGS-LBPRGKRZSA-N 1 1 388.443 4.338 20 0 GIADMO Cn1cc([C@@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cn1 ZINC000569891935 822981591 /nfs/dbraw/zinc/98/15/91/822981591.db2.gz HCZQSINOGNWJEI-RDGATRHJSA-N 1 1 388.559 4.401 20 0 GIADMO CCC[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)C1CCCCC1 ZINC000458311420 822981975 /nfs/dbraw/zinc/98/19/75/822981975.db2.gz YDFKKHYFCLTEFB-JGUMPVPUSA-N 1 1 379.589 4.019 20 0 GIADMO COc1ccc(-c2noc(C[NH+]3CCC(c4ccsc4)CC3)n2)c(OC)c1 ZINC000186949806 822985043 /nfs/dbraw/zinc/98/50/43/822985043.db2.gz AIQBQESAZNISKH-UHFFFAOYSA-N 1 1 385.489 4.195 20 0 GIADMO C[C@H]1C[C@@H](Nc2ccc(F)c(N3CCCNC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000569916509 822985513 /nfs/dbraw/zinc/98/55/13/822985513.db2.gz MDVNNQXBYHPJIY-PXNSSMCTSA-N 1 1 396.510 4.210 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H]1c1cccs1 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Cc1nc(C(C)C)oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000570232018 823017229 /nfs/dbraw/zinc/01/72/29/823017229.db2.gz RQHSUFTXKDFKDT-KRWDZBQOSA-N 1 1 375.900 4.327 20 0 GIADMO Cc1ccc2cc(C[N@H+]3CCCN(C(=O)Oc4ccccc4)CC3)ccc2n1 ZINC000187146364 823017540 /nfs/dbraw/zinc/01/75/40/823017540.db2.gz OLKWSRNMNCCAEM-UHFFFAOYSA-N 1 1 375.472 4.250 20 0 GIADMO Cc1cc(C(C)(C)[NH2+]Cc2nnc3n2CCCCC3)ccc1Br ZINC000570248158 823018973 /nfs/dbraw/zinc/01/89/73/823018973.db2.gz OZSCVBNKSGQBTJ-UHFFFAOYSA-N 1 1 377.330 4.100 20 0 GIADMO C[C@H](CCNC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000175683941 823019803 /nfs/dbraw/zinc/01/98/03/823019803.db2.gz WYXAXCOGISQGEC-QGZVFWFLSA-N 1 1 394.519 4.067 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cnc(-c3ccncc3)s2)cc1 ZINC000175690573 823021248 /nfs/dbraw/zinc/02/12/48/823021248.db2.gz KJECCGLQZNDHCT-CQSZACIVSA-N 1 1 389.484 4.190 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)cs1)c1ccc(C)cc1 ZINC000570269428 823021352 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388.515 4.065 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000570284724 823022340 /nfs/dbraw/zinc/02/23/40/823022340.db2.gz KQBOITMEBFNFAD-LJQANCHMSA-N 1 1 398.532 4.023 20 0 GIADMO C[C@H](CN[C@@H](C)c1ncc(Br)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000187190995 823023017 /nfs/dbraw/zinc/02/30/17/823023017.db2.gz AIQWUVILXGGJFR-KGLIPLIRSA-N 1 1 380.305 4.154 20 0 GIADMO C[C@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)N(C)Cc1ccccc1 ZINC000187190995 823023019 /nfs/dbraw/zinc/02/30/19/823023019.db2.gz AIQWUVILXGGJFR-KGLIPLIRSA-N 1 1 380.305 4.154 20 0 GIADMO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(OC(F)(F)F)c1 ZINC000175704645 823024012 /nfs/dbraw/zinc/02/40/12/823024012.db2.gz GDTDXEFQQNHREF-KZULUSFZSA-N 1 1 396.384 4.395 20 0 GIADMO CC[N@H+](C)Cc1cccc(CNCc2cc(-c3ccncc3)ccc2OC)c1 ZINC000187206905 823024706 /nfs/dbraw/zinc/02/47/06/823024706.db2.gz MMSCLUKJSQAFEM-UHFFFAOYSA-N 1 1 375.516 4.499 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNCc2cc(-c3ccncc3)ccc2OC)c1 ZINC000187206905 823024710 /nfs/dbraw/zinc/02/47/10/823024710.db2.gz MMSCLUKJSQAFEM-UHFFFAOYSA-N 1 1 375.516 4.499 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000570321849 823025747 /nfs/dbraw/zinc/02/57/47/823025747.db2.gz WEPNXTZMZLCKNU-FQEVSTJZSA-N 1 1 399.922 4.082 20 0 GIADMO Clc1ccc2nc(CN3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn2c1 ZINC000570351614 823028009 /nfs/dbraw/zinc/02/80/09/823028009.db2.gz SHCKCFHSSMQYLK-UHFFFAOYSA-N 1 1 394.950 4.476 20 0 GIADMO O=C(N[C@@H](c1ccccc1)C1CC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000570353120 823028241 /nfs/dbraw/zinc/02/82/41/823028241.db2.gz RFEPFBKIDIFGEP-UKILVPOCSA-N 1 1 389.543 4.445 20 0 GIADMO CCOCCOc1c(Cl)cccc1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000175730802 823028266 /nfs/dbraw/zinc/02/82/66/823028266.db2.gz ZCBVZMYVVFIBQY-MRXNPFEDSA-N 1 1 397.947 4.093 20 0 GIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c(Cl)ccc(Cl)c2Cl)C[C@H](C)O1 ZINC000175731705 823028504 /nfs/dbraw/zinc/02/85/04/823028504.db2.gz VQJNTYZBMXMBKM-PHIMTYICSA-N 1 1 393.742 4.264 20 0 GIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c(Cl)ccc(Cl)c2Cl)C[C@H](C)O1 ZINC000175731705 823028507 /nfs/dbraw/zinc/02/85/07/823028507.db2.gz VQJNTYZBMXMBKM-PHIMTYICSA-N 1 1 393.742 4.264 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2N(C)Cc2ccccc2)CC[N@H+]1C ZINC000175733319 823028827 /nfs/dbraw/zinc/02/88/27/823028827.db2.gz DYLBOVNVBPGXDW-QUCCMNQESA-N 1 1 380.536 4.269 20 0 GIADMO Cc1cnc(CC[N@H+](C)Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)s1 ZINC000570365576 823029608 /nfs/dbraw/zinc/02/96/08/823029608.db2.gz LQSUEFDJYMDVAE-UHFFFAOYSA-N 1 1 380.439 4.331 20 0 GIADMO C[C@H](NC(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000570366924 823029901 /nfs/dbraw/zinc/02/99/01/823029901.db2.gz JVPIKHADFBRYDI-SOVGHPHASA-N 1 1 397.346 4.204 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000570366924 823029903 /nfs/dbraw/zinc/02/99/03/823029903.db2.gz JVPIKHADFBRYDI-SOVGHPHASA-N 1 1 397.346 4.204 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc([S@](C)=O)cc2)cc1 ZINC000175748395 823031425 /nfs/dbraw/zinc/03/14/25/823031425.db2.gz GVUHHXSXCKEWDE-HPGBDJQBSA-N 1 1 399.560 4.120 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000175753986 823032249 /nfs/dbraw/zinc/03/22/49/823032249.db2.gz QATVTQAQKCXWMO-INIZCTEOSA-N 1 1 387.487 4.265 20 0 GIADMO C[C@H]1[C@@H](NC(=O)Nc2ccccc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000570424332 823036025 /nfs/dbraw/zinc/03/60/25/823036025.db2.gz JLZSXTHTDOROTB-ICSRJNTNSA-N 1 1 378.520 4.071 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3[C@H](C)[C@H](CC(F)(F)F)C[C@@H]3C)CC2)[nH+]1 ZINC000458393336 823036198 /nfs/dbraw/zinc/03/61/98/823036198.db2.gz JTHKJLZSHSYBRO-XHSDSOJGSA-N 1 1 398.473 4.120 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC[N@H+]1C ZINC000187298993 823039242 /nfs/dbraw/zinc/03/92/42/823039242.db2.gz NIMOBAFOBZEBJD-TZMCWYRMSA-N 1 1 388.861 4.332 20 0 GIADMO c1ccc(C[N@H+]2CC[C@@H]3CN(c4nc(-c5ccccc5)ns4)C[C@H]3C2)cc1 ZINC000570443465 823039353 /nfs/dbraw/zinc/03/93/53/823039353.db2.gz ZLAGMZFUOXIZPS-WOJBJXKFSA-N 1 1 376.529 4.163 20 0 GIADMO c1ccc(C[N@H+]2CC[C@H]3CN(c4nc(-c5ccccc5)ns4)C[C@H]3C2)cc1 ZINC000570443425 823039400 /nfs/dbraw/zinc/03/94/00/823039400.db2.gz ZLAGMZFUOXIZPS-VQTJNVASSA-N 1 1 376.529 4.163 20 0 GIADMO CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175789432 823040689 /nfs/dbraw/zinc/04/06/89/823040689.db2.gz BEBHWLQEGCSVGT-PXNSSMCTSA-N 1 1 387.549 4.029 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000570464727 823041313 /nfs/dbraw/zinc/04/13/13/823041313.db2.gz XUEWOLSTUCBNRJ-GAJHUEQPSA-N 1 1 392.547 4.130 20 0 GIADMO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cccc1C(=O)Nc1ccccc1 ZINC000175793649 823041727 /nfs/dbraw/zinc/04/17/27/823041727.db2.gz FWDIJZWMISTAIW-VQIMIIECSA-N 1 1 394.519 4.194 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000175794808 823041875 /nfs/dbraw/zinc/04/18/75/823041875.db2.gz BABOHZHZZPJKBL-JLTOFOAXSA-N 1 1 394.450 4.204 20 0 GIADMO C[N@@H+](Cc1nnc(-c2ccccc2Br)o1)CC1(O)CCCCCC1 ZINC000187332593 823044807 /nfs/dbraw/zinc/04/48/07/823044807.db2.gz MYFVIOVYSRLHDV-UHFFFAOYSA-N 1 1 394.313 4.016 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000123815960 823543018 /nfs/dbraw/zinc/54/30/18/823543018.db2.gz IRHGEVKSSWWUOI-UGKGYDQZSA-N 1 1 399.510 4.105 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)s1 ZINC000177901119 823543781 /nfs/dbraw/zinc/54/37/81/823543781.db2.gz SFIORQUGEQZARP-GOSISDBHSA-N 1 1 379.529 4.331 20 0 GIADMO Cc1cc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc2n1 ZINC000123833681 823544222 /nfs/dbraw/zinc/54/42/22/823544222.db2.gz PPDOSXLQQZYUBQ-UHFFFAOYSA-N 1 1 377.463 4.030 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000123856029 823546204 /nfs/dbraw/zinc/54/62/04/823546204.db2.gz AQVGQORGLNIBEN-HIFRSBDPSA-N 1 1 377.558 4.119 20 0 GIADMO C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000460943853 823547754 /nfs/dbraw/zinc/54/77/54/823547754.db2.gz ONNBCHZQELGCJN-HUUCEWRRSA-N 1 1 378.488 4.158 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460952035 823549542 /nfs/dbraw/zinc/54/95/42/823549542.db2.gz ACVWRAQKZIZPDM-HZPDHXFCSA-N 1 1 382.470 4.364 20 0 GIADMO Cc1cnc(NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000123897314 823549835 /nfs/dbraw/zinc/54/98/35/823549835.db2.gz LKLACOJTIREMMD-UHFFFAOYSA-N 1 1 398.454 4.210 20 0 GIADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000460956029 823550164 /nfs/dbraw/zinc/55/01/64/823550164.db2.gz GKKWQEKNIITOCA-QLFBSQMISA-N 1 1 375.900 4.091 20 0 GIADMO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123909781 823551054 /nfs/dbraw/zinc/55/10/54/823551054.db2.gz SOGJTRWMFDYQPU-IFXJQAMLSA-N 1 1 378.850 4.349 20 0 GIADMO Cc1ccc(F)c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000123909781 823551058 /nfs/dbraw/zinc/55/10/58/823551058.db2.gz SOGJTRWMFDYQPU-IFXJQAMLSA-N 1 1 378.850 4.349 20 0 GIADMO c1ccc(-c2noc([C@H]3CCCC[N@@H+]3CC3CCC4(CC3)OCCO4)n2)cc1 ZINC000190213672 823551545 /nfs/dbraw/zinc/55/15/45/823551545.db2.gz ZKPDWALZSRXVSJ-LJQANCHMSA-N 1 1 383.492 4.197 20 0 GIADMO CC[C@H](C)[N@@H+](CCc1cncs1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000411155015 823552427 /nfs/dbraw/zinc/55/24/27/823552427.db2.gz NQMDAGATERFKCT-ZDUSSCGKSA-N 1 1 385.455 4.444 20 0 GIADMO Cc1ccc(C(=O)Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)cc1 ZINC000060713225 823553756 /nfs/dbraw/zinc/55/37/56/823553756.db2.gz NKIHMAQENSSPHL-INIZCTEOSA-N 1 1 383.467 4.199 20 0 GIADMO Cc1ccc(C(=O)Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)cc1 ZINC000060713225 823553757 /nfs/dbraw/zinc/55/37/57/823553757.db2.gz NKIHMAQENSSPHL-INIZCTEOSA-N 1 1 383.467 4.199 20 0 GIADMO CC[C@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CCC(C)CC1 ZINC000460977946 823554520 /nfs/dbraw/zinc/55/45/20/823554520.db2.gz HQHBJWNZYXMCEE-DJFKLQJRSA-N 1 1 378.601 4.187 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460981617 823555294 /nfs/dbraw/zinc/55/52/94/823555294.db2.gz HYKGPHJKWXDSDH-QUCCMNQESA-N 1 1 382.552 4.052 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)ccc2Br)C1 ZINC000124442787 823597380 /nfs/dbraw/zinc/59/73/80/823597380.db2.gz MATJLPJQGISYFZ-CYBMUJFWSA-N 1 1 387.749 4.200 20 0 GIADMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000461003165 823557751 /nfs/dbraw/zinc/55/77/51/823557751.db2.gz VGTFGNRGQBDKES-INIZCTEOSA-N 1 1 382.470 4.460 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000461009945 823558632 /nfs/dbraw/zinc/55/86/32/823558632.db2.gz WPRGYJKBCLYDEW-UHFFFAOYSA-N 1 1 393.300 4.067 20 0 GIADMO CC(=O)Nc1cccc(-n2cnn(C[N@@H+]3CCC[C@H]3CC(C)(C)C)c2=S)c1 ZINC000060840154 823561390 /nfs/dbraw/zinc/56/13/90/823561390.db2.gz PQRNXYPZBPJKCV-SFHVURJKSA-N 1 1 387.553 4.220 20 0 GIADMO CC(=O)Nc1cccc(-n2cnn(C[N@H+]3CCC[C@H]3CC(C)(C)C)c2=S)c1 ZINC000060840154 823561393 /nfs/dbraw/zinc/56/13/93/823561393.db2.gz PQRNXYPZBPJKCV-SFHVURJKSA-N 1 1 387.553 4.220 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)cc1F ZINC000060845383 823561718 /nfs/dbraw/zinc/56/17/18/823561718.db2.gz LYMCPONYVOJINE-AWEZNQCLSA-N 1 1 388.266 4.013 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@@](C)(O)CCC(C)C)cs1)c1ccc(F)cc1 ZINC000124042846 823562422 /nfs/dbraw/zinc/56/24/22/823562422.db2.gz ZJOYVSHFWARDCN-FQEVSTJZSA-N 1 1 393.528 4.244 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000411310126 823563799 /nfs/dbraw/zinc/56/37/99/823563799.db2.gz TZRHPOSEBOYEKQ-ZDUSSCGKSA-N 1 1 397.466 4.225 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1CC1CCCCC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000060892632 823564930 /nfs/dbraw/zinc/56/49/30/823564930.db2.gz HDYLVFLZSPWFKU-JTHBVZDNSA-N 1 1 383.580 4.064 20 0 GIADMO O=C(CC[NH2+][C@H](c1nccs1)c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000411349822 823565829 /nfs/dbraw/zinc/56/58/29/823565829.db2.gz DTSIGPBKRNFHRM-IRLDBZIGSA-N 1 1 391.540 4.406 20 0 GIADMO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000124083511 823566155 /nfs/dbraw/zinc/56/61/55/823566155.db2.gz BXYYWFWHXAAKHF-UHFFFAOYSA-N 1 1 398.894 4.060 20 0 GIADMO Cc1nc(C(C)(C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)sc1C ZINC000411392116 823569269 /nfs/dbraw/zinc/56/92/69/823569269.db2.gz UAEGXJZAKDEZJQ-UHFFFAOYSA-N 1 1 397.544 4.407 20 0 GIADMO O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3)CC[C@@H]2N1C1CC1 ZINC000411398469 823570237 /nfs/dbraw/zinc/57/02/37/823570237.db2.gz ORNDNKYUVKNFFE-GUYCJALGSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Br)c3)CC[C@@H]2N1C1CC1 ZINC000411398469 823570239 /nfs/dbraw/zinc/57/02/39/823570239.db2.gz ORNDNKYUVKNFFE-GUYCJALGSA-N 1 1 397.744 4.078 20 0 GIADMO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000124134575 823570762 /nfs/dbraw/zinc/57/07/62/823570762.db2.gz VFDABRQGTFEUIU-UYAOXDASSA-N 1 1 378.516 4.089 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000124137257 823570911 /nfs/dbraw/zinc/57/09/11/823570911.db2.gz BUUGEBMUMJWEHX-GMBSWORKSA-N 1 1 393.478 4.007 20 0 GIADMO C[N@H+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H](c2ccccc2)C1 ZINC000411412531 823571493 /nfs/dbraw/zinc/57/14/93/823571493.db2.gz FCDJATYDLSHTTR-GOSISDBHSA-N 1 1 392.330 4.311 20 0 GIADMO CN1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H](c2ccccc2)C1 ZINC000411412531 823571495 /nfs/dbraw/zinc/57/14/95/823571495.db2.gz FCDJATYDLSHTTR-GOSISDBHSA-N 1 1 392.330 4.311 20 0 GIADMO CN1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)[C@@H](c2ccccc2)C1 ZINC000411412531 823571497 /nfs/dbraw/zinc/57/14/97/823571497.db2.gz FCDJATYDLSHTTR-GOSISDBHSA-N 1 1 392.330 4.311 20 0 GIADMO COc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000411412985 823571508 /nfs/dbraw/zinc/57/15/08/823571508.db2.gz YAMHFWWOCWOARF-UHFFFAOYSA-N 1 1 392.421 4.143 20 0 GIADMO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000124144016 823571612 /nfs/dbraw/zinc/57/16/12/823571612.db2.gz HMTLLFYHXSKVEC-YJBOKZPZSA-N 1 1 388.943 4.204 20 0 GIADMO CCOc1ccc([C@@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1OCC ZINC000060993966 823571760 /nfs/dbraw/zinc/57/17/60/823571760.db2.gz TZXBAPXZMPIZOC-ZHRRBRCNSA-N 1 1 382.504 4.155 20 0 GIADMO COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000124146705 823571763 /nfs/dbraw/zinc/57/17/63/823571763.db2.gz GBECRIYIDPLKQL-HSZRJFAPSA-N 1 1 395.547 4.039 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124153641 823572441 /nfs/dbraw/zinc/57/24/41/823572441.db2.gz GHBUTQFLEZWAJS-INIZCTEOSA-N 1 1 395.478 4.438 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000190437926 823573857 /nfs/dbraw/zinc/57/38/57/823573857.db2.gz XJQPZJMMWISHAU-LLVKDONJSA-N 1 1 396.256 4.314 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(-c2ncco2)cc1F)c1cccc(N2CCCC2=O)c1 ZINC000411446680 823575140 /nfs/dbraw/zinc/57/51/40/823575140.db2.gz AVJCVBKQSWZRMN-OAHLLOKOSA-N 1 1 379.435 4.458 20 0 GIADMO CC[C@]1(C)Oc2ccc(NC(=O)NC3CCN(c4cccc(C)[nH+]4)CC3)cc2O1 ZINC000190445583 823575302 /nfs/dbraw/zinc/57/53/02/823575302.db2.gz XPLSSFIPCYLCEU-JOCHJYFZSA-N 1 1 396.491 4.078 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC3CCCC3)c(OC)c2)nc1 ZINC000411449659 823575799 /nfs/dbraw/zinc/57/57/99/823575799.db2.gz MKYKOKGNMDDNSJ-OAHLLOKOSA-N 1 1 384.476 4.049 20 0 GIADMO FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124190871 823576150 /nfs/dbraw/zinc/57/61/50/823576150.db2.gz WRLDASDPXDDYBR-MRXNPFEDSA-N 1 1 394.441 4.283 20 0 GIADMO Cc1c2ccccc2oc1[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000411458590 823577006 /nfs/dbraw/zinc/57/70/06/823577006.db2.gz JQUCRHGVHJYNOE-JOCHJYFZSA-N 1 1 385.552 4.017 20 0 GIADMO CCC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1cccc(C(F)(F)F)c1 ZINC000411457707 823577060 /nfs/dbraw/zinc/57/70/60/823577060.db2.gz PAULUCJNXYAMDN-OAHLLOKOSA-N 1 1 375.412 4.333 20 0 GIADMO Cc1ccc([C@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c2ccccc2)cc1 ZINC000061072408 823577090 /nfs/dbraw/zinc/57/70/90/823577090.db2.gz LPTVZAIGLNCGRH-IFMALSPDSA-N 1 1 377.488 4.280 20 0 GIADMO COc1ccc2oc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)cc2c1 ZINC000124210273 823577634 /nfs/dbraw/zinc/57/76/34/823577634.db2.gz IZLIECGPRDZWDS-INIZCTEOSA-N 1 1 380.492 4.139 20 0 GIADMO CC[N@H+](CCCCCS(=O)(=O)CC)Cc1cc(Br)ccc1F ZINC000190474715 823579224 /nfs/dbraw/zinc/57/92/24/823579224.db2.gz BZXZKKPAJATOKN-UHFFFAOYSA-N 1 1 394.350 4.015 20 0 GIADMO CC[N@@H+](CCCCCS(=O)(=O)CC)Cc1cc(Br)ccc1F ZINC000190474715 823579229 /nfs/dbraw/zinc/57/92/29/823579229.db2.gz BZXZKKPAJATOKN-UHFFFAOYSA-N 1 1 394.350 4.015 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)C2CC2)n1 ZINC000411484407 823580148 /nfs/dbraw/zinc/58/01/48/823580148.db2.gz XVVPEGCTBRCSBD-NRFANRHFSA-N 1 1 395.528 4.314 20 0 GIADMO C[C@@H](CNC(=O)CSCc1cc(-c2cccs2)on1)[N@H+]1CCCC[C@@H]1C ZINC000061159909 823581273 /nfs/dbraw/zinc/58/12/73/823581273.db2.gz CAFJJKFWOIDBJO-GJZGRUSLSA-N 1 1 393.578 4.015 20 0 GIADMO C[C@@H](NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000061185252 823582581 /nfs/dbraw/zinc/58/25/81/823582581.db2.gz GGKQLBDTBOXVDS-RRFJBIMHSA-N 1 1 382.346 4.072 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000411513144 823583070 /nfs/dbraw/zinc/58/30/70/823583070.db2.gz OEOYLBSNWDLVRF-NDHGSNPTSA-N 1 1 390.496 4.336 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)s1 ZINC000411519458 823583998 /nfs/dbraw/zinc/58/39/98/823583998.db2.gz MSDMPHBRPAWGNW-UHFFFAOYSA-N 1 1 383.517 4.098 20 0 GIADMO CSC1(C[NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CCOCC1 ZINC000124291344 823584445 /nfs/dbraw/zinc/58/44/45/823584445.db2.gz JQEJLSGHHNCQHH-LJQANCHMSA-N 1 1 395.528 4.328 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3cccc(F)c3)n2)cc1F ZINC000411527292 823584864 /nfs/dbraw/zinc/58/48/64/823584864.db2.gz DKUFETJYDSIPRA-ZDUSSCGKSA-N 1 1 386.402 4.003 20 0 GIADMO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H](C)c3nnnn3C3CC3)cc2)c1 ZINC000190553627 823585579 /nfs/dbraw/zinc/58/55/79/823585579.db2.gz NECJBZWEDXTLKJ-IAGOWNOFSA-N 1 1 377.492 4.307 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411535139 823585706 /nfs/dbraw/zinc/58/57/06/823585706.db2.gz QPIMNYYCPZDGFM-RTBURBONSA-N 1 1 390.531 4.025 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccc(C(F)(F)F)cc2C)C1 ZINC000190560209 823586656 /nfs/dbraw/zinc/58/66/56/823586656.db2.gz RPEHCXUZQWJMSU-QGZVFWFLSA-N 1 1 394.441 4.319 20 0 GIADMO CSc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000411540590 823586711 /nfs/dbraw/zinc/58/67/11/823586711.db2.gz NLYHCCACVUIABS-DOTOQJQBSA-N 1 1 384.501 4.154 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)c1C ZINC000411541948 823586730 /nfs/dbraw/zinc/58/67/30/823586730.db2.gz PHFXQUOQWHSGON-WBVHZDCISA-N 1 1 392.503 4.001 20 0 GIADMO COc1ccccc1CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000061260405 823588191 /nfs/dbraw/zinc/58/81/91/823588191.db2.gz FXHVVYRCXUKANN-LJQANCHMSA-N 1 1 395.547 4.112 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+](C)CCCn1ccnc1 ZINC000124342149 823588762 /nfs/dbraw/zinc/58/87/62/823588762.db2.gz ZOZZIRWWYJAKOB-GOSISDBHSA-N 1 1 394.544 4.383 20 0 GIADMO CC(C)Oc1cccc(CC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000061284728 823589181 /nfs/dbraw/zinc/58/91/81/823589181.db2.gz HBWHQHTZEOICIG-UHFFFAOYSA-N 1 1 384.545 4.204 20 0 GIADMO COC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000061286083 823589586 /nfs/dbraw/zinc/58/95/86/823589586.db2.gz WOMJDLIIZHKQMM-QGZVFWFLSA-N 1 1 395.503 4.169 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1nc2ccccc2n1C(F)F ZINC000411611807 823590728 /nfs/dbraw/zinc/59/07/28/823590728.db2.gz KXHFBDMYEDIWRU-LRDDRELGSA-N 1 1 388.393 4.027 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1ccccc1F ZINC000061311700 823591160 /nfs/dbraw/zinc/59/11/60/823591160.db2.gz MVZSJMGPMCWIPB-GOSISDBHSA-N 1 1 383.511 4.242 20 0 GIADMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411621879 823591645 /nfs/dbraw/zinc/59/16/45/823591645.db2.gz SCYXAMJMWBPLGY-ZDUSSCGKSA-N 1 1 393.247 4.441 20 0 GIADMO CCOc1ccccc1NC(=O)CC[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000411661892 823595462 /nfs/dbraw/zinc/59/54/62/823595462.db2.gz MSERDTQIFFMTMF-MRXNPFEDSA-N 1 1 397.302 4.044 20 0 GIADMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000190657344 823595967 /nfs/dbraw/zinc/59/59/67/823595967.db2.gz LKBBKVUZOZEFFL-GOSISDBHSA-N 1 1 393.462 4.075 20 0 GIADMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000190657322 823596026 /nfs/dbraw/zinc/59/60/26/823596026.db2.gz LKBBKVUZOZEFFL-SFHVURJKSA-N 1 1 393.462 4.075 20 0 GIADMO CS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411687156 823597090 /nfs/dbraw/zinc/59/70/90/823597090.db2.gz FLYLKJRDVNKOQJ-UXHICEINSA-N 1 1 377.937 4.329 20 0 GIADMO CS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411687156 823597094 /nfs/dbraw/zinc/59/70/94/823597094.db2.gz FLYLKJRDVNKOQJ-UXHICEINSA-N 1 1 377.937 4.329 20 0 GIADMO CCOC(=O)[C@H](CC)[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000190673005 823597394 /nfs/dbraw/zinc/59/73/94/823597394.db2.gz SVTXLXXSZIKULE-HNNXBMFYSA-N 1 1 387.307 4.128 20 0 GIADMO CCOC(=O)[C@H](CC)[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000190673005 823597397 /nfs/dbraw/zinc/59/73/97/823597397.db2.gz SVTXLXXSZIKULE-HNNXBMFYSA-N 1 1 387.307 4.128 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000061441847 823597877 /nfs/dbraw/zinc/59/78/77/823597877.db2.gz AWERZNBJLPKYEX-LJQANCHMSA-N 1 1 394.563 4.126 20 0 GIADMO CC(C)(C)n1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)nn1 ZINC000190696450 823599238 /nfs/dbraw/zinc/59/92/38/823599238.db2.gz HMZDKOQKSZGQIT-UHFFFAOYSA-N 1 1 386.503 4.176 20 0 GIADMO CC[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1)c1cccs1 ZINC000190699398 823599388 /nfs/dbraw/zinc/59/93/88/823599388.db2.gz FBKXARVFANKFGH-HZPDHXFCSA-N 1 1 392.594 4.128 20 0 GIADMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1OCCC(C)C ZINC000124472285 823599566 /nfs/dbraw/zinc/59/95/66/823599566.db2.gz GUIKRWOSBUTNGI-RDJZCZTQSA-N 1 1 396.959 4.328 20 0 GIADMO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000190700457 823599630 /nfs/dbraw/zinc/59/96/30/823599630.db2.gz VWDWXGMBGQEQTF-HNNXBMFYSA-N 1 1 394.364 4.052 20 0 GIADMO CCS(=O)(=O)CCCCC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000190700457 823599631 /nfs/dbraw/zinc/59/96/31/823599631.db2.gz VWDWXGMBGQEQTF-HNNXBMFYSA-N 1 1 394.364 4.052 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccc(Br)cc1 ZINC000411726834 823600553 /nfs/dbraw/zinc/60/05/53/823600553.db2.gz IFSCUFPKYSYLPS-MRXNPFEDSA-N 1 1 388.309 4.052 20 0 GIADMO O=C(CC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)Nc1ccc(Cl)cc1 ZINC000411728456 823600621 /nfs/dbraw/zinc/60/06/21/823600621.db2.gz KTLUOWFJGKDLGH-MAUKXSAKSA-N 1 1 390.936 4.169 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1cc(OC)ccc1Br ZINC000461228237 823601633 /nfs/dbraw/zinc/60/16/33/823601633.db2.gz VOWFJJGCSQFLCY-UHFFFAOYSA-N 1 1 379.298 4.434 20 0 GIADMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(Cl)cc1F ZINC000124500089 823601889 /nfs/dbraw/zinc/60/18/89/823601889.db2.gz AKWMPLOVSQKFLI-AWEZNQCLSA-N 1 1 380.916 4.491 20 0 GIADMO CC(C)([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1cc(C(F)(F)F)on1 ZINC000411753609 823602423 /nfs/dbraw/zinc/60/24/23/823602423.db2.gz CSEARNOAANLPAZ-UHFFFAOYSA-N 1 1 393.768 4.339 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c1C ZINC000411766496 823603473 /nfs/dbraw/zinc/60/34/73/823603473.db2.gz JVGTUDJHNLPULA-UKRRQHHQSA-N 1 1 396.466 4.081 20 0 GIADMO Clc1cccc([C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccccn2)c1 ZINC000124546731 823605300 /nfs/dbraw/zinc/60/53/00/823605300.db2.gz NRXWFWCPEKRIQF-QHCPKHFHSA-N 1 1 392.934 4.474 20 0 GIADMO COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000461255050 823605742 /nfs/dbraw/zinc/60/57/42/823605742.db2.gz YTSYPQZOUFPYKE-DOTOQJQBSA-N 1 1 388.458 4.063 20 0 GIADMO CN(C(=O)c1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124560524 823606546 /nfs/dbraw/zinc/60/65/46/823606546.db2.gz QLOOEULJVZGRQI-ZEQRLZLVSA-N 1 1 393.575 4.249 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)NC2CCCCCCC2)c1 ZINC000124565157 823607028 /nfs/dbraw/zinc/60/70/28/823607028.db2.gz WEMRMCZBRVPXGT-UHFFFAOYSA-N 1 1 396.535 4.222 20 0 GIADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@H]3CC3CCCCC3)cc2)CC1 ZINC000061636987 823607179 /nfs/dbraw/zinc/60/71/79/823607179.db2.gz CHMIUIZDXQEXGW-HSZRJFAPSA-N 1 1 383.580 4.009 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCCc1ccc(Br)s1 ZINC000461263777 823608359 /nfs/dbraw/zinc/60/83/59/823608359.db2.gz MWTUUOXXJOHSHU-AWEZNQCLSA-N 1 1 387.387 4.166 20 0 GIADMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000190775944 823607400 /nfs/dbraw/zinc/60/74/00/823607400.db2.gz AJBHDALXXPEXSR-LLVKDONJSA-N 1 1 377.847 4.319 20 0 GIADMO C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000190776123 823607551 /nfs/dbraw/zinc/60/75/51/823607551.db2.gz MEGNHDKMXMCCLO-MRXNPFEDSA-N 1 1 375.476 4.007 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000461264279 823608527 /nfs/dbraw/zinc/60/85/27/823608527.db2.gz ODYGWMOFROPFRW-ZDUSSCGKSA-N 1 1 396.304 4.016 20 0 GIADMO O=C(Nc1ccc(F)cc1OC(F)F)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000461265812 823608864 /nfs/dbraw/zinc/60/88/64/823608864.db2.gz TTWRYZDIWQWXCH-AWEZNQCLSA-N 1 1 396.384 4.417 20 0 GIADMO CCc1ccc(-c2nc(CC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cs2)cc1 ZINC000461269003 823609396 /nfs/dbraw/zinc/60/93/96/823609396.db2.gz YAOSNRXGSFATKG-HXUWFJFHSA-N 1 1 385.577 4.248 20 0 GIADMO COCCCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190796233 823609961 /nfs/dbraw/zinc/60/99/61/823609961.db2.gz WOOZTWLSJXETDU-OAHLLOKOSA-N 1 1 380.286 4.063 20 0 GIADMO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461274551 823610615 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COCCN(C)c1ccc(CNc2cccc(Cn3cc[nH+]c3C(C)C)c2)cn1 ZINC000190830988 823614096 /nfs/dbraw/zinc/61/40/96/823614096.db2.gz PTCCTMBIOVZHAW-UHFFFAOYSA-N 1 1 393.535 4.145 20 0 GIADMO CCc1cccc(CC)c1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190844227 823615448 /nfs/dbraw/zinc/61/54/48/823615448.db2.gz YMEOBBMGDLMHRJ-JOCHJYFZSA-N 1 1 395.547 4.224 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCSCc2ccccc2F)c1 ZINC000061855106 823616183 /nfs/dbraw/zinc/61/61/83/823616183.db2.gz DTQKXOAOEDYGHU-UHFFFAOYSA-N 1 1 389.540 4.010 20 0 GIADMO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)CC1CCCC1 ZINC000190851314 823616315 /nfs/dbraw/zinc/61/63/15/823616315.db2.gz FQZVRJDGIFTIRW-INIZCTEOSA-N 1 1 386.458 4.296 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411959677 823616789 /nfs/dbraw/zinc/61/67/89/823616789.db2.gz VPGXKJHSKJQZHV-CQSZACIVSA-N 1 1 397.466 4.047 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1OC ZINC000061869005 823616978 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FPIKMYIBHULORI-BEFAXECRSA-N 1 1 385.483 4.039 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000063484290 823675483 /nfs/dbraw/zinc/67/54/83/823675483.db2.gz RLZYZPSKWZCSAA-XLIONFOSSA-N 1 1 395.421 4.291 20 0 GIADMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Oc3ccccc3F)c(F)c2)CN1 ZINC000125430516 823675645 /nfs/dbraw/zinc/67/56/45/823675645.db2.gz NSADIPUTDUQMAU-VQIMIIECSA-N 1 1 386.442 4.248 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000191366304 823677135 /nfs/dbraw/zinc/67/71/35/823677135.db2.gz YBCALMSKVVZMAA-OLZOCXBDSA-N 1 1 387.318 4.167 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000191366304 823677136 /nfs/dbraw/zinc/67/71/36/823677136.db2.gz YBCALMSKVVZMAA-OLZOCXBDSA-N 1 1 387.318 4.167 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)cc1 ZINC000412724622 823677945 /nfs/dbraw/zinc/67/79/45/823677945.db2.gz GCLNDDPRTRDGIA-NRFANRHFSA-N 1 1 379.504 4.122 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1 ZINC000125474793 823678973 /nfs/dbraw/zinc/67/89/73/823678973.db2.gz QPJKNXGDNNEMCO-INIZCTEOSA-N 1 1 387.549 4.338 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)cc1 ZINC000125474793 823678975 /nfs/dbraw/zinc/67/89/75/823678975.db2.gz QPJKNXGDNNEMCO-INIZCTEOSA-N 1 1 387.549 4.338 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125477004 823679235 /nfs/dbraw/zinc/67/92/35/823679235.db2.gz CRQPUYOPHFFYGA-IBGZPJMESA-N 1 1 399.579 4.428 20 0 GIADMO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)c1 ZINC000063619496 823683547 /nfs/dbraw/zinc/68/35/47/823683547.db2.gz CLVKQWJXOXTGCZ-AVRDEDQJSA-N 1 1 396.531 4.335 20 0 GIADMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)co2)cc1 ZINC000063627605 823684808 /nfs/dbraw/zinc/68/48/08/823684808.db2.gz KVTSHWALWVPZCS-KRWDZBQOSA-N 1 1 385.508 4.387 20 0 GIADMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CNC(=O)OC(C)(C)C)C3)co2)cc1 ZINC000063627605 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4.208 20 0 GIADMO Cn1cc(C[NH2+]Cc2cc(Br)c(Cl)s2)c(C(F)(F)F)n1 ZINC000191461303 823687774 /nfs/dbraw/zinc/68/77/74/823687774.db2.gz BVKLKIOYGJFYEU-UHFFFAOYSA-N 1 1 388.640 4.206 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125594536 823688318 /nfs/dbraw/zinc/68/83/18/823688318.db2.gz WSOUPAUQJMQDHZ-UHFFFAOYSA-N 1 1 394.441 4.117 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191471132 823688744 /nfs/dbraw/zinc/68/87/44/823688744.db2.gz VJDMSXVFPJILDE-DLBZAZTESA-N 1 1 390.959 4.077 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000191472821 823688792 /nfs/dbraw/zinc/68/87/92/823688792.db2.gz FSWRMHADZQMWOQ-AWEZNQCLSA-N 1 1 397.350 4.492 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)C1 ZINC000063693457 823689694 /nfs/dbraw/zinc/68/96/94/823689694.db2.gz YOWDIIHPDHFTBH-VQTJNVASSA-N 1 1 380.532 4.358 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191491713 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Cc1noc(C)c1COc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000063771564 823694728 /nfs/dbraw/zinc/69/47/28/823694728.db2.gz PTKNDAYZLKGIJL-UHFFFAOYSA-N 1 1 399.535 4.207 20 0 GIADMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)CCS2 ZINC000191522829 823695218 /nfs/dbraw/zinc/69/52/18/823695218.db2.gz UOINVXQJKXYXJF-FQEVSTJZSA-N 1 1 379.529 4.461 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000461790971 823695734 /nfs/dbraw/zinc/69/57/34/823695734.db2.gz LDJSXIRZSUPLKJ-KRWDZBQOSA-N 1 1 398.551 4.096 20 0 GIADMO CC(C)N1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191528653 823695974 /nfs/dbraw/zinc/69/59/74/823695974.db2.gz VDANUGMIGDUEDH-FQEVSTJZSA-N 1 1 395.385 4.379 20 0 GIADMO CCC[NH+]1CCC(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000461794418 823696295 /nfs/dbraw/zinc/69/62/95/823696295.db2.gz ARUGKDSZTAPYCS-QFIPXVFZSA-N 1 1 383.605 4.312 20 0 GIADMO CCn1c(Cc2ccccc2)nnc1S[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412982518 823697116 /nfs/dbraw/zinc/69/71/16/823697116.db2.gz KOONZZXYXSJKKQ-HXUWFJFHSA-N 1 1 378.545 4.255 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000461800154 823697192 /nfs/dbraw/zinc/69/71/92/823697192.db2.gz HOPZHEHJEMAAKZ-KRWDZBQOSA-N 1 1 386.540 4.146 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000461800398 823697355 /nfs/dbraw/zinc/69/73/55/823697355.db2.gz HUWWSYNKTVFVJC-INIZCTEOSA-N 1 1 381.948 4.013 20 0 GIADMO Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537559 823697399 /nfs/dbraw/zinc/69/73/99/823697399.db2.gz CWKDSCYTZRGHKX-LPHOPBHVSA-N 1 1 388.353 4.153 20 0 GIADMO Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537559 823697400 /nfs/dbraw/zinc/69/74/00/823697400.db2.gz CWKDSCYTZRGHKX-LPHOPBHVSA-N 1 1 388.353 4.153 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000063835789 823700458 /nfs/dbraw/zinc/70/04/58/823700458.db2.gz BSHCWQOXBFYLGU-AWEZNQCLSA-N 1 1 377.941 4.232 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000163307048 823700720 /nfs/dbraw/zinc/70/07/20/823700720.db2.gz MWQIYKQPTYTWQP-INIZCTEOSA-N 1 1 393.597 4.139 20 0 GIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(SCc3csc(C)n3)cc2)C1 ZINC000063852744 823702330 /nfs/dbraw/zinc/70/23/30/823702330.db2.gz BQKWUMJDUPYCAP-INIZCTEOSA-N 1 1 389.590 4.206 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+](CCC(Cl)(Cl)Cl)CC2)n1 ZINC000191577805 823703437 /nfs/dbraw/zinc/70/34/37/823703437.db2.gz IJWUTCOENIZXSH-UHFFFAOYSA-N 1 1 385.744 4.260 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000574331509 823703693 /nfs/dbraw/zinc/70/36/93/823703693.db2.gz UUVVDIQPXGBESR-UHFFFAOYSA-N 1 1 396.922 4.324 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)c1ccc(Cl)cn1 ZINC000574349934 823706469 /nfs/dbraw/zinc/70/64/69/823706469.db2.gz YTVVTWPZEIYGCB-CKFHNAJUSA-N 1 1 375.875 4.277 20 0 GIADMO O=C(C[C@@H]1CCC[N@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350119 823706590 /nfs/dbraw/zinc/70/65/90/823706590.db2.gz ODONECXTJIPVRG-SFTDATJTSA-N 1 1 398.572 4.076 20 0 GIADMO O=C(C[C@@H]1CCCN1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350119 823706594 /nfs/dbraw/zinc/70/65/94/823706594.db2.gz ODONECXTJIPVRG-SFTDATJTSA-N 1 1 398.572 4.076 20 0 GIADMO O=C(C[C@@H]1CCCN1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccs1 ZINC000574350119 823706598 /nfs/dbraw/zinc/70/65/98/823706598.db2.gz ODONECXTJIPVRG-SFTDATJTSA-N 1 1 398.572 4.076 20 0 GIADMO CCCn1nc(C)c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000163480766 823714346 /nfs/dbraw/zinc/71/43/46/823714346.db2.gz JEFXCBGGIFPUDS-KRWDZBQOSA-N 1 1 382.552 4.214 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000574388613 823716669 /nfs/dbraw/zinc/71/66/69/823716669.db2.gz GORYIIIEOJGHQI-INIZCTEOSA-N 1 1 388.487 4.042 20 0 GIADMO Cc1cc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(C)o1 ZINC000163562189 823721982 /nfs/dbraw/zinc/72/19/82/823721982.db2.gz AJDFKQGUSHLVMH-GOSISDBHSA-N 1 1 380.410 4.369 20 0 GIADMO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000191658330 823725909 /nfs/dbraw/zinc/72/59/09/823725909.db2.gz UTQSZQZBSAQRGO-OAHLLOKOSA-N 1 1 376.250 4.051 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191662574 823726768 /nfs/dbraw/zinc/72/67/68/823726768.db2.gz STGDGFPZPUFRQU-GFCCVEGCSA-N 1 1 387.368 4.080 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000191662574 823726777 /nfs/dbraw/zinc/72/67/77/823726777.db2.gz STGDGFPZPUFRQU-GFCCVEGCSA-N 1 1 387.368 4.080 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1N1CCCCC1 ZINC000574435198 823728744 /nfs/dbraw/zinc/72/87/44/823728744.db2.gz OHIRBGOOHZTXQA-REWPJTCUSA-N 1 1 391.559 4.317 20 0 GIADMO CC[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)c1nc(C)cs1 ZINC000191679349 823730641 /nfs/dbraw/zinc/73/06/41/823730641.db2.gz JYIULHJQGQWCDA-GJZGRUSLSA-N 1 1 394.338 4.060 20 0 GIADMO Fc1ccc(COc2cccc(C[NH2+]Cc3nncn3-c3ccccc3)c2)cc1 ZINC000163640870 823730742 /nfs/dbraw/zinc/73/07/42/823730742.db2.gz NQIDOBKEYKVCDH-UHFFFAOYSA-N 1 1 388.446 4.275 20 0 GIADMO CC[N@@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)[C@@H]1CCOC(C)(C)C1 ZINC000574441556 823731374 /nfs/dbraw/zinc/73/13/74/823731374.db2.gz VVAANZACLFCOLQ-RTBURBONSA-N 1 1 380.532 4.435 20 0 GIADMO C[C@@H](c1cccc(NCCC(=O)Nc2cccc(Cl)c2)c1)[NH+]1CCOCC1 ZINC000574446093 823732516 /nfs/dbraw/zinc/73/25/16/823732516.db2.gz OTOBXMIGGBWKPY-INIZCTEOSA-N 1 1 387.911 4.174 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cn1 ZINC000064027274 823736809 /nfs/dbraw/zinc/73/68/09/823736809.db2.gz YQLBEUKAMXGKBQ-UHFFFAOYSA-N 1 1 397.891 4.216 20 0 GIADMO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000125892626 823738597 /nfs/dbraw/zinc/73/85/97/823738597.db2.gz USRITFRAJQVEDU-YOEHRIQHSA-N 1 1 387.490 4.379 20 0 GIADMO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1cc(OC)ccc1OC ZINC000574480872 823742167 /nfs/dbraw/zinc/74/21/67/823742167.db2.gz DRYZVCFHSFISMF-UHFFFAOYSA-N 1 1 379.504 4.304 20 0 GIADMO C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(c1ccccc1)c1ccccc1 ZINC000461900671 823744881 /nfs/dbraw/zinc/74/48/81/823744881.db2.gz TXAXKZJIXPCIHE-SFHVURJKSA-N 1 1 389.499 4.221 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccccc1 ZINC000125926774 823745845 /nfs/dbraw/zinc/74/58/45/823745845.db2.gz YGYVYAWBTLCYGA-FGZHOGPDSA-N 1 1 375.447 4.125 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1 ZINC000125926312 823745883 /nfs/dbraw/zinc/74/58/83/823745883.db2.gz YGYVYAWBTLCYGA-FCHUYYIVSA-N 1 1 375.447 4.125 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191723282 823747097 /nfs/dbraw/zinc/74/70/97/823747097.db2.gz GWEKNKWATZRSGT-GFCCVEGCSA-N 1 1 388.737 4.298 20 0 GIADMO COc1cc(Cl)c(F)c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000413294171 823747109 /nfs/dbraw/zinc/74/71/09/823747109.db2.gz OWKXENZRFMOVIS-UHFFFAOYSA-N 1 1 394.899 4.289 20 0 GIADMO Cc1cccc(CC2(O)CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)c1 ZINC000574499410 823749353 /nfs/dbraw/zinc/74/93/53/823749353.db2.gz JTMBDLILYFXSEZ-UHFFFAOYSA-N 1 1 389.499 4.147 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccccc1 ZINC000125948992 823751141 /nfs/dbraw/zinc/75/11/41/823751141.db2.gz GDYIJCRRSCVLDF-DWACAAAGSA-N 1 1 389.524 4.060 20 0 GIADMO COc1cc(F)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000163814214 823751658 /nfs/dbraw/zinc/75/16/58/823751658.db2.gz ZIUHROKPGMYHCU-OAHLLOKOSA-N 1 1 386.467 4.470 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000461916118 823752802 /nfs/dbraw/zinc/75/28/02/823752802.db2.gz INXYGFCWIMFVOS-UHFFFAOYSA-N 1 1 394.302 4.382 20 0 GIADMO Fc1ccccc1-c1ccc(C[NH+]2CCN(Cc3nnc(C4CC4)o3)CC2)s1 ZINC000064140451 823753239 /nfs/dbraw/zinc/75/32/39/823753239.db2.gz OUMFKPNEPZYDRN-UHFFFAOYSA-N 1 1 398.507 4.132 20 0 GIADMO COc1cc(C[N@H+](C)Cc2c(C)nn(Cc3ccc(C)cc3)c2C)ccc1O ZINC000125959444 823753351 /nfs/dbraw/zinc/75/33/51/823753351.db2.gz RXCTXFGFTCRULK-UHFFFAOYSA-N 1 1 379.504 4.203 20 0 GIADMO 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KPWOJZUPQBPIAM-HNNXBMFYSA-N 1 1 395.286 4.218 20 0 GIADMO COC(=O)c1cccc(C[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000574872855 823848804 /nfs/dbraw/zinc/84/88/04/823848804.db2.gz KPWOJZUPQBPIAM-HNNXBMFYSA-N 1 1 395.286 4.218 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)nnn1-c1ccc(Cl)cc1 ZINC000165447997 823849302 /nfs/dbraw/zinc/84/93/02/823849302.db2.gz CFDSWVVUUJUIDU-OLZOCXBDSA-N 1 1 398.898 4.132 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000413874830 823854275 /nfs/dbraw/zinc/85/42/75/823854275.db2.gz IOKQLAVNKMCEPT-UHFFFAOYSA-N 1 1 387.527 4.420 20 0 GIADMO COc1ccc(C[NH+]2CCC(CN[C@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000126412472 823860387 /nfs/dbraw/zinc/86/03/87/823860387.db2.gz SAFCHCWKESSRDQ-QHCPKHFHSA-N 1 1 390.531 4.010 20 0 GIADMO CC(C)Oc1ccc([C@@H](CNCc2cn3cc(Cl)ccc3n2)[NH+](C)C)cc1 ZINC000574921879 823860682 /nfs/dbraw/zinc/86/06/82/823860682.db2.gz TWKBOQYUVNHPRB-HXUWFJFHSA-N 1 1 386.927 4.167 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462189390 823861375 /nfs/dbraw/zinc/86/13/75/823861375.db2.gz MSQLJBUFIGBTHP-AWEZNQCLSA-N 1 1 395.425 4.068 20 0 GIADMO CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064705535 823867698 /nfs/dbraw/zinc/86/76/98/823867698.db2.gz BDUFUTMXMOYBEP-OAHLLOKOSA-N 1 1 391.512 4.320 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C(F)(F)F)c1 ZINC000166081707 823869588 /nfs/dbraw/zinc/86/95/88/823869588.db2.gz PTGNKWQQUGIKMY-CXAGYDPISA-N 1 1 385.430 4.052 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)o2)cc1C ZINC000574961651 823872882 /nfs/dbraw/zinc/87/28/82/823872882.db2.gz GHWARDOALASKER-WMQCIHAUSA-N 1 1 376.504 4.449 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H]3CCN(C)[C@H]3c3ccccc3)o2)cc1C ZINC000574961651 823872890 /nfs/dbraw/zinc/87/28/90/823872890.db2.gz GHWARDOALASKER-WMQCIHAUSA-N 1 1 376.504 4.449 20 0 GIADMO Cn1cc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c(C2CCCCC2)n1 ZINC000574962224 823873431 /nfs/dbraw/zinc/87/34/31/823873431.db2.gz OYMTVOQDVMAEOT-UHFFFAOYSA-N 1 1 379.508 4.192 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)cc1OC ZINC000574965840 823874732 /nfs/dbraw/zinc/87/47/32/823874732.db2.gz SJZJVXKNKYIPEM-HXUWFJFHSA-N 1 1 397.519 4.222 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000064735658 823875191 /nfs/dbraw/zinc/87/51/91/823875191.db2.gz FOKNWGCAUZXGGU-XHSDSOJGSA-N 1 1 386.927 4.208 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000064735658 823875198 /nfs/dbraw/zinc/87/51/98/823875198.db2.gz FOKNWGCAUZXGGU-XHSDSOJGSA-N 1 1 386.927 4.208 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000064735658 823875204 /nfs/dbraw/zinc/87/52/04/823875204.db2.gz FOKNWGCAUZXGGU-XHSDSOJGSA-N 1 1 386.927 4.208 20 0 GIADMO Cc1cc(Br)ccc1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064735940 823875948 /nfs/dbraw/zinc/87/59/48/823875948.db2.gz YVEUSFFZQDQHMT-HLLBOEOZSA-N 1 1 379.342 4.235 20 0 GIADMO Cc1cc(/C=C(/C#N)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1CC(C)C ZINC000064739253 823876988 /nfs/dbraw/zinc/87/69/88/823876988.db2.gz WIMJCTQYJILHDD-QRVIBDJDSA-N 1 1 398.595 4.247 20 0 GIADMO CC(C)[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192141223 823877358 /nfs/dbraw/zinc/87/73/58/823877358.db2.gz SQQKOPIUEQPYCJ-AWEZNQCLSA-N 1 1 389.883 4.086 20 0 GIADMO CC(C)[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192141223 823877362 /nfs/dbraw/zinc/87/73/62/823877362.db2.gz SQQKOPIUEQPYCJ-AWEZNQCLSA-N 1 1 389.883 4.086 20 0 GIADMO Clc1ccccc1[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000166727926 823881713 /nfs/dbraw/zinc/88/17/13/823881713.db2.gz KMLUSEVMRPTLGT-PMAPCBKXSA-N 1 1 398.934 4.417 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000462228681 823883124 /nfs/dbraw/zinc/88/31/24/823883124.db2.gz DCFTYRFQXAWCIL-CYBMUJFWSA-N 1 1 396.304 4.135 20 0 GIADMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000575000831 823883981 /nfs/dbraw/zinc/88/39/81/823883981.db2.gz OKEFQTCJTSJKSL-BHDDXSALSA-N 1 1 382.548 4.039 20 0 GIADMO CN1C(=O)C[C@@H]([NH2+]Cc2csc(-c3ccoc3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000192159479 823885371 /nfs/dbraw/zinc/88/53/71/823885371.db2.gz QCLLFIADYJPJCN-AEFFLSMTSA-N 1 1 387.892 4.118 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000064804717 823888719 /nfs/dbraw/zinc/88/87/19/823888719.db2.gz PESOMYYHGPBWCD-UHFFFAOYSA-N 1 1 383.492 4.119 20 0 GIADMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000126519322 823889548 /nfs/dbraw/zinc/88/95/48/823889548.db2.gz WRVYQVTVSVIYAQ-RLCAUIQDSA-N 1 1 383.332 4.046 20 0 GIADMO Cc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(OC(C)C)c1 ZINC000167695878 823894853 /nfs/dbraw/zinc/89/48/53/823894853.db2.gz PXIJIFBVQKJURU-OAHLLOKOSA-N 1 1 379.497 4.176 20 0 GIADMO CC(C)[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(C(F)(F)F)cc1 ZINC000462245618 823894865 /nfs/dbraw/zinc/89/48/65/823894865.db2.gz IKYVLWGUZSMVLT-SFHVURJKSA-N 1 1 395.425 4.416 20 0 GIADMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CCS1 ZINC000192184200 823895136 /nfs/dbraw/zinc/89/51/36/823895136.db2.gz YAGKGGUYRLOMLO-KKSFZXQISA-N 1 1 386.586 4.050 20 0 GIADMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CCS1 ZINC000192184193 823895201 /nfs/dbraw/zinc/89/52/01/823895201.db2.gz YAGKGGUYRLOMLO-IERDGZPVSA-N 1 1 386.586 4.050 20 0 GIADMO C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)CCS1 ZINC000192184600 823895266 /nfs/dbraw/zinc/89/52/66/823895266.db2.gz OMWMNUMJQGKRLO-MRXNPFEDSA-N 1 1 387.574 4.140 20 0 GIADMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)CCS1 ZINC000192184600 823895285 /nfs/dbraw/zinc/89/52/85/823895285.db2.gz OMWMNUMJQGKRLO-MRXNPFEDSA-N 1 1 387.574 4.140 20 0 GIADMO O=C1O[C@H](C[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)CC12CCC2 ZINC000192193268 823897721 /nfs/dbraw/zinc/89/77/21/823897721.db2.gz NJYPLHQCPKDUJJ-HOTGVXAUSA-N 1 1 385.451 4.281 20 0 GIADMO O=C1O[C@H](C[N@@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)CC12CCC2 ZINC000192193268 823897731 /nfs/dbraw/zinc/89/77/31/823897731.db2.gz NJYPLHQCPKDUJJ-HOTGVXAUSA-N 1 1 385.451 4.281 20 0 GIADMO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167903770 823898129 /nfs/dbraw/zinc/89/81/29/823898129.db2.gz LQWJZFHZWUNCCS-APWZRJJASA-N 1 1 398.555 4.461 20 0 GIADMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167901808 823898346 /nfs/dbraw/zinc/89/83/46/823898346.db2.gz FXVFFSKSURWXPG-SXGZJXTBSA-N 1 1 384.395 4.276 20 0 GIADMO CC1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CCCC1 ZINC000414060690 823898713 /nfs/dbraw/zinc/89/87/13/823898713.db2.gz YFJJSRUAUATOBV-UHFFFAOYSA-N 1 1 379.342 4.110 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1csc(-c2ccccc2)n1 ZINC000414064441 823898945 /nfs/dbraw/zinc/89/89/45/823898945.db2.gz FTSHSKDYKCLCSL-INIZCTEOSA-N 1 1 395.528 4.128 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000462251584 823899121 /nfs/dbraw/zinc/89/91/21/823899121.db2.gz BOJRVVSHHQCSIJ-GUYCJALGSA-N 1 1 393.409 4.069 20 0 GIADMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000168262829 823901475 /nfs/dbraw/zinc/90/14/75/823901475.db2.gz QSPUTPKKHDWUAO-AWEZNQCLSA-N 1 1 376.488 4.102 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc3n(n2)CCC3)ccc1OCc1ccncc1 ZINC000414075704 823902620 /nfs/dbraw/zinc/90/26/20/823902620.db2.gz PJTLHTTUQINCOB-SJORKVTESA-N 1 1 392.503 4.224 20 0 GIADMO CC[C@H](C(=O)Nc1cccc(CN2CCSCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000575066622 823903356 /nfs/dbraw/zinc/90/33/56/823903356.db2.gz ZZXMUHDFBBAMJS-JOCHJYFZSA-N 1 1 397.588 4.085 20 0 GIADMO CC[C@H](C(=O)Nc1cccc(CN2CCSCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000575066622 823903363 /nfs/dbraw/zinc/90/33/63/823903363.db2.gz ZZXMUHDFBBAMJS-JOCHJYFZSA-N 1 1 397.588 4.085 20 0 GIADMO Cc1cc(CNC(=O)NC2(Cc3cccc(F)c3)CCC2)cc(N2CCCC2)[nH+]1 ZINC000462262360 823903770 /nfs/dbraw/zinc/90/37/70/823903770.db2.gz UEGJJPXCIRUSEH-UHFFFAOYSA-N 1 1 396.510 4.094 20 0 GIADMO CCCCn1ccnc1-c1cccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000462261844 823903869 /nfs/dbraw/zinc/90/38/69/823903869.db2.gz XELLHPGMCPUDRY-UHFFFAOYSA-N 1 1 393.491 4.186 20 0 GIADMO Clc1ccc([C@@H]2CCC[C@H]([NH2+]C3CCN(C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000414081595 823904460 /nfs/dbraw/zinc/90/44/60/823904460.db2.gz FEBSMFCWTDVECE-KPLVRAHFSA-N 1 1 376.972 4.457 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cc1NC(C)=O ZINC000168592031 823904649 /nfs/dbraw/zinc/90/46/49/823904649.db2.gz RWVHDGNQOJDNSE-STQMWFEESA-N 1 1 390.455 4.222 20 0 GIADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000575074923 823904809 /nfs/dbraw/zinc/90/48/09/823904809.db2.gz OILUSPLWZZHXKI-QZTJIDSGSA-N 1 1 395.469 4.025 20 0 GIADMO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414087764 823906697 /nfs/dbraw/zinc/90/66/97/823906697.db2.gz IQMKFPNHNACWAH-KDXIVRHGSA-N 1 1 376.972 4.334 20 0 GIADMO C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)[C@H](C)c1ccccc1C(F)(F)F ZINC000462278772 823910464 /nfs/dbraw/zinc/91/04/64/823910464.db2.gz XGDYHLBJEMOWEN-UONOGXRCSA-N 1 1 395.425 4.211 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000064914739 823911198 /nfs/dbraw/zinc/91/11/98/823911198.db2.gz RACIIMHVYRRSMJ-ZNMIVQPWSA-N 1 1 378.442 4.490 20 0 GIADMO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cn1 ZINC000414108304 823911890 /nfs/dbraw/zinc/91/18/90/823911890.db2.gz GFDAXRFAWKCVKG-SFHVURJKSA-N 1 1 379.504 4.036 20 0 GIADMO C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575103206 823913344 /nfs/dbraw/zinc/91/33/44/823913344.db2.gz IVULZRJHGBZZJZ-BHIYHBOVSA-N 1 1 397.485 4.271 20 0 GIADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cnnc(-c4ccccc4)c3)sc2C1 ZINC000575117834 823916792 /nfs/dbraw/zinc/91/67/92/823916792.db2.gz KIALAHAKZUWHLH-UHFFFAOYSA-N 1 1 393.516 4.009 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCOc1cccc2ccccc21 ZINC000064951446 823917833 /nfs/dbraw/zinc/91/78/33/823917833.db2.gz KIQXHMDDMUQAHB-KRWDZBQOSA-N 1 1 383.513 4.315 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCOc1cccc2ccccc21 ZINC000064951446 823917836 /nfs/dbraw/zinc/91/78/36/823917836.db2.gz KIQXHMDDMUQAHB-KRWDZBQOSA-N 1 1 383.513 4.315 20 0 GIADMO CC(C)c1ccc(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000064961762 823918728 /nfs/dbraw/zinc/91/87/28/823918728.db2.gz IXZVRUCPQZACDG-UHFFFAOYSA-N 1 1 375.534 4.114 20 0 GIADMO C[C@@H](c1ccc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)cc1)[NH+]1CCOCC1 ZINC000192259102 823920043 /nfs/dbraw/zinc/92/00/43/823920043.db2.gz XPQRNBZXLTWENR-HNNXBMFYSA-N 1 1 383.496 4.105 20 0 GIADMO CC(C)[N@@H+](CCCc1ccncc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000462310302 823920375 /nfs/dbraw/zinc/92/03/75/823920375.db2.gz GDWRXAOICRFFLC-JOCHJYFZSA-N 1 1 378.516 4.318 20 0 GIADMO Cc1nccnc1[C@@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000414174419 823922573 /nfs/dbraw/zinc/92/25/73/823922573.db2.gz HHCOYYNCLFICPK-YFXJRYMSSA-N 1 1 390.506 4.243 20 0 GIADMO Cc1nccnc1[C@@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000414174419 823922578 /nfs/dbraw/zinc/92/25/78/823922578.db2.gz HHCOYYNCLFICPK-YFXJRYMSSA-N 1 1 390.506 4.243 20 0 GIADMO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000126667368 823922600 /nfs/dbraw/zinc/92/26/00/823922600.db2.gz DGTICNVRWOSCBW-CABCVRRESA-N 1 1 390.572 4.317 20 0 GIADMO O=C1CCCCN1C1CC[NH+](Cn2c3ccc(Cl)cc3oc2=S)CC1 ZINC000126667536 823922759 /nfs/dbraw/zinc/92/27/59/823922759.db2.gz HXKJOTYWURWEPS-UHFFFAOYSA-N 1 1 379.913 4.052 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1c(C)noc1-c1ccccc1)[NH+](C)C ZINC000126674191 823924307 /nfs/dbraw/zinc/92/43/07/823924307.db2.gz RRFKZTMQQGBCPG-GOSISDBHSA-N 1 1 394.475 4.083 20 0 GIADMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3cc(C)sc3C)CC2)cc1 ZINC000170646364 823924899 /nfs/dbraw/zinc/92/48/99/823924899.db2.gz WIWRHQWBLCYJAD-UHFFFAOYSA-N 1 1 386.561 4.041 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccccc2Br)cc1OC ZINC000575152311 823925210 /nfs/dbraw/zinc/92/52/10/823925210.db2.gz RXKYHKMSVMKVQP-DYVFJYSZSA-N 1 1 394.309 4.241 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000170647460 823925852 /nfs/dbraw/zinc/92/58/52/823925852.db2.gz SBFPPCFSYKGCLZ-AWEZNQCLSA-N 1 1 375.900 4.235 20 0 GIADMO Brc1ccc(N2CC[C@@H]([NH2+][C@@H](c3ncc[nH]3)c3ccccc3)C2)cc1 ZINC000126682569 823926482 /nfs/dbraw/zinc/92/64/82/823926482.db2.gz YDUFYYUAZAFOND-IEBWSBKVSA-N 1 1 397.320 4.130 20 0 GIADMO O=C(NC1(c2c(Cl)cccc2Cl)CCC1)c1cc(C[NH+]2CCCC2)on1 ZINC000462342762 823932190 /nfs/dbraw/zinc/93/21/90/823932190.db2.gz UZRXBYWIQGIYBN-UHFFFAOYSA-N 1 1 394.302 4.386 20 0 GIADMO CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000126708272 823932560 /nfs/dbraw/zinc/93/25/60/823932560.db2.gz XJXOZWQNZLYTDX-QZTJIDSGSA-N 1 1 385.527 4.388 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170679325 823935743 /nfs/dbraw/zinc/93/57/43/823935743.db2.gz CUKGGWALAGEAEN-GOTSBHOMSA-N 1 1 395.547 4.246 20 0 GIADMO COc1cccc([C@H]2CCCN2C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000170683123 823937659 /nfs/dbraw/zinc/93/76/59/823937659.db2.gz KWTCIOLCTRYESU-OAQYLSRUSA-N 1 1 399.560 4.036 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)cs1 ZINC000170684676 823938423 /nfs/dbraw/zinc/93/84/23/823938423.db2.gz HEZRNYHSLFTTRL-UHFFFAOYSA-N 1 1 396.516 4.321 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(Cl)c3N(C)C)CC2)cs1 ZINC000170685578 823938803 /nfs/dbraw/zinc/93/88/03/823938803.db2.gz YRKAQPGSNVKIPU-UHFFFAOYSA-N 1 1 392.956 4.022 20 0 GIADMO CCOc1ccc(NC(=O)C[NH2+]Cc2ccc(Br)cc2Cl)cc1 ZINC000462359556 823940389 /nfs/dbraw/zinc/94/03/89/823940389.db2.gz MTZQNFCUXZCHTB-UHFFFAOYSA-N 1 1 397.700 4.230 20 0 GIADMO Nc1c(Cl)cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000192302446 823940552 /nfs/dbraw/zinc/94/05/52/823940552.db2.gz JFYHAYFFUREUOP-ZBEGNZNMSA-N 1 1 383.323 4.056 20 0 GIADMO CCC(CC)c1nnc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)s1 ZINC000170693949 823942217 /nfs/dbraw/zinc/94/22/17/823942217.db2.gz IQSHHHSRFGCUNO-UHFFFAOYSA-N 1 1 393.582 4.057 20 0 GIADMO Cc1ncc(-c2ccc(NC(=O)C3CC[NH+](Cc4csc(C)n4)CC3)cc2)o1 ZINC000170694025 823942304 /nfs/dbraw/zinc/94/23/04/823942304.db2.gz KZOFYXYTTGZDLQ-UHFFFAOYSA-N 1 1 396.516 4.266 20 0 GIADMO C[C@@H]1C[N@H+](CC2CCN(C(=O)CCCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000575222689 823944885 /nfs/dbraw/zinc/94/48/85/823944885.db2.gz OGKVVQNUZZODLU-HDICACEKSA-N 1 1 392.971 4.011 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)[C@H](C)C1 ZINC000192334260 823949322 /nfs/dbraw/zinc/94/93/22/823949322.db2.gz NOPMDXHKVZTLCO-XLIONFOSSA-N 1 1 383.540 4.190 20 0 GIADMO CCCCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000065140857 823950669 /nfs/dbraw/zinc/95/06/69/823950669.db2.gz CIUPVQUKFTZDFZ-GHTZIAJQSA-N 1 1 396.531 4.439 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2csc(-c3ccccc3)n2)C1 ZINC000065140710 823950693 /nfs/dbraw/zinc/95/06/93/823950693.db2.gz GUTVEPBPAPLZPV-QFBILLFUSA-N 1 1 377.513 4.375 20 0 GIADMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCCC[C@H]2F)c2ccc(F)cc2)c1 ZINC000414283200 823951085 /nfs/dbraw/zinc/95/10/85/823951085.db2.gz IWCFEFZKJCIXKQ-VAMGGRTRSA-N 1 1 379.472 4.189 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1 ZINC000192341338 823952554 /nfs/dbraw/zinc/95/25/54/823952554.db2.gz BCHIMYNLGOEKCJ-SFHVURJKSA-N 1 1 383.540 4.191 20 0 GIADMO CN(C)c1ncc(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)n1C ZINC000414294086 823952882 /nfs/dbraw/zinc/95/28/82/823952882.db2.gz DEICNUHBVVMSRL-IBGZPJMESA-N 1 1 399.336 4.128 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNCc1ccccc1C[N@@H+](C)C(C)C ZINC000414293129 823953163 /nfs/dbraw/zinc/95/31/63/823953163.db2.gz VKHJPYMZHAVPSH-UHFFFAOYSA-N 1 1 380.511 4.450 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNCc1ccccc1C[N@H+](C)C(C)C ZINC000414293129 823953174 /nfs/dbraw/zinc/95/31/74/823953174.db2.gz VKHJPYMZHAVPSH-UHFFFAOYSA-N 1 1 380.511 4.450 20 0 GIADMO O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cc(C[NH+]2CCCC2)on1 ZINC000462386811 823954496 /nfs/dbraw/zinc/95/44/96/823954496.db2.gz DFSZJSMJWYSSIC-GOSISDBHSA-N 1 1 393.409 4.170 20 0 GIADMO C[C@@H]1CCN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000575319480 823954703 /nfs/dbraw/zinc/95/47/03/823954703.db2.gz VLLGHKINUHIKKH-QGZVFWFLSA-N 1 1 375.472 4.034 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(F)(c3ccccn3)CC2)cc1)C1CC1 ZINC000575322372 823954742 /nfs/dbraw/zinc/95/47/42/823954742.db2.gz CZUZETACJWOBOG-UHFFFAOYSA-N 1 1 381.495 4.167 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1csnn1 ZINC000414311215 823955590 /nfs/dbraw/zinc/95/55/90/823955590.db2.gz XXKLFWITYWQWDD-DTWKUNHWSA-N 1 1 392.834 4.278 20 0 GIADMO Cc1nc(C)c(CN2CC[N@@H+](Cc3sc(C)nc3C)[C@@H]3CCCC[C@H]32)s1 ZINC000575324461 823955871 /nfs/dbraw/zinc/95/58/71/823955871.db2.gz KHZGBSNEXTYYCP-QZTJIDSGSA-N 1 1 390.622 4.462 20 0 GIADMO O[C@H](CSc1nc(-c2ccccc2)cs1)C[N@H+]1CCc2ccccc2C1 ZINC000065169584 823956387 /nfs/dbraw/zinc/95/63/87/823956387.db2.gz QRQVNKYGWWOHMY-IBGZPJMESA-N 1 1 382.554 4.321 20 0 GIADMO c1cc(-c2nc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cs2)cs1 ZINC000192355545 823957739 /nfs/dbraw/zinc/95/77/39/823957739.db2.gz WRLFODMXZGNELN-HXUWFJFHSA-N 1 1 399.585 4.252 20 0 GIADMO c1ccc(C[N@@H+]2CCCO[C@H](CNCc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355462 823958097 /nfs/dbraw/zinc/95/80/97/823958097.db2.gz FNMYMXYCIMZWFP-RUZDIDTESA-N 1 1 387.527 4.129 20 0 GIADMO c1ccc(C[N@H+]2CCCO[C@H](CNCc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355462 823958107 /nfs/dbraw/zinc/95/81/07/823958107.db2.gz FNMYMXYCIMZWFP-RUZDIDTESA-N 1 1 387.527 4.129 20 0 GIADMO CC(C)c1nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc(C(C)(C)C)n1 ZINC000192359468 823959021 /nfs/dbraw/zinc/95/90/21/823959021.db2.gz ORIWSBDPTAAWEL-IBGZPJMESA-N 1 1 381.568 4.251 20 0 GIADMO CCOc1ccc([C@@H]([NH2+]Cc2cnc(N(C)C)n2C)c2cccc(Cl)c2)cc1 ZINC000414371032 823967343 /nfs/dbraw/zinc/96/73/43/823967343.db2.gz XTGKJEVTCFYHOK-OAQYLSRUSA-N 1 1 398.938 4.417 20 0 GIADMO Cc1cc(C(=O)NC2CC[NH+](Cc3sccc3Br)CC2)c(C)o1 ZINC000170775249 823967417 /nfs/dbraw/zinc/96/74/17/823967417.db2.gz KIRIXTRRZCITAF-UHFFFAOYSA-N 1 1 397.338 4.115 20 0 GIADMO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)c2c1 ZINC000575408926 823967418 /nfs/dbraw/zinc/96/74/18/823967418.db2.gz APIPSBUJOYIASS-YCRPNKLZSA-N 1 1 395.528 4.220 20 0 GIADMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)c(C)o1 ZINC000170777257 823968676 /nfs/dbraw/zinc/96/86/76/823968676.db2.gz TWKWWVAILAIOPU-UHFFFAOYSA-N 1 1 391.309 4.053 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000575435270 823970704 /nfs/dbraw/zinc/97/07/04/823970704.db2.gz IUUOJQWAQLVFHX-NSHDSACASA-N 1 1 391.712 4.046 20 0 GIADMO CC(C)[C@H](C)[N@H+]1Cc2cccc(N[C@@H](C)C(=O)Nc3ccnn3C(C)C)c2C1 ZINC000170790062 823971816 /nfs/dbraw/zinc/97/18/16/823971816.db2.gz SNMONXWWAYQOCB-IRXDYDNUSA-N 1 1 383.540 4.263 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H]2COc3ccccc3O2)c1 ZINC000575477084 823973616 /nfs/dbraw/zinc/97/36/16/823973616.db2.gz LZSVINHURHFCIF-LJQANCHMSA-N 1 1 391.471 4.223 20 0 GIADMO O=C(Nc1cccc(OC2CCCC2)c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170800841 823974388 /nfs/dbraw/zinc/97/43/88/823974388.db2.gz DAKWABOKYVITRC-QHCPKHFHSA-N 1 1 394.515 4.145 20 0 GIADMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126909508 823978625 /nfs/dbraw/zinc/97/86/25/823978625.db2.gz WKWBSSXXSPBSBN-JTHBVZDNSA-N 1 1 396.531 4.060 20 0 GIADMO O=C(CC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000575621916 823979272 /nfs/dbraw/zinc/97/92/72/823979272.db2.gz ARUONGYMHBIHFX-FUHWJXTLSA-N 1 1 383.319 4.356 20 0 GIADMO CCCNc1ccc(CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000192415844 823979552 /nfs/dbraw/zinc/97/95/52/823979552.db2.gz DPCYWLXSOBWZNH-SFHVURJKSA-N 1 1 396.535 4.223 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000192418171 823980948 /nfs/dbraw/zinc/98/09/48/823980948.db2.gz WUTUBSZFZXRBHQ-INIZCTEOSA-N 1 1 391.313 4.267 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)ccn2)cc1 ZINC000192422124 823984316 /nfs/dbraw/zinc/98/43/16/823984316.db2.gz JQKNWWJWAUJMIL-GFCCVEGCSA-N 1 1 389.381 4.477 20 0 GIADMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(C(F)(F)F)c(C)c3)n2)c1 ZINC000414445999 823987136 /nfs/dbraw/zinc/98/71/36/823987136.db2.gz NJOJMIAOBRMBLK-CYBMUJFWSA-N 1 1 375.398 4.353 20 0 GIADMO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000575758411 823987612 /nfs/dbraw/zinc/98/76/12/823987612.db2.gz BWNMLUBZQLMPBZ-NTKDMRAZSA-N 1 1 385.511 4.448 20 0 GIADMO FC(F)Oc1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1Br ZINC000414470835 823991218 /nfs/dbraw/zinc/99/12/18/823991218.db2.gz NJRFZAAFLIGEKV-UHFFFAOYSA-N 1 1 398.251 4.220 20 0 GIADMO CCn1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)n1 ZINC000414477623 823991749 /nfs/dbraw/zinc/99/17/49/823991749.db2.gz DDFXLPPAXPEWTO-UHFFFAOYSA-N 1 1 385.515 4.413 20 0 GIADMO Clc1c(Br)cccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414483355 823992355 /nfs/dbraw/zinc/99/23/55/823992355.db2.gz OGABTSSVEFXLLT-UHFFFAOYSA-N 1 1 380.717 4.388 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000126981483 823994041 /nfs/dbraw/zinc/99/40/41/823994041.db2.gz AELAYDFFKKKOFD-SPEDKVCISA-N 1 1 394.563 4.372 20 0 GIADMO CCCNc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000192440677 823994193 /nfs/dbraw/zinc/99/41/93/823994193.db2.gz GUCAZMDMQXGRRG-UHFFFAOYSA-N 1 1 395.482 4.141 20 0 GIADMO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000192462074 823999925 /nfs/dbraw/zinc/99/99/25/823999925.db2.gz MVNRLLSRTMNEEK-ROUUACIJSA-N 1 1 396.506 4.029 20 0 GIADMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000127012529 824000772 /nfs/dbraw/zinc/00/07/72/824000772.db2.gz LDLWFYIAJUFCNW-HNNXBMFYSA-N 1 1 388.537 4.036 20 0 GIADMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000127012529 824000776 /nfs/dbraw/zinc/00/07/76/824000776.db2.gz LDLWFYIAJUFCNW-HNNXBMFYSA-N 1 1 388.537 4.036 20 0 GIADMO CC(C)[C@H]1[N@@H+](CC2=Cc3cc(Br)ccc3OC2)CC12CCOCC2 ZINC000414525813 824002120 /nfs/dbraw/zinc/00/21/20/824002120.db2.gz KJGJFEUQNLZLOL-LJQANCHMSA-N 1 1 392.337 4.362 20 0 GIADMO Cc1ncc([C@@H](C)[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)s1 ZINC000127049259 824007259 /nfs/dbraw/zinc/00/72/59/824007259.db2.gz PZQSNNCNNMEEBO-WBMJQRKESA-N 1 1 397.466 4.485 20 0 GIADMO Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1Cl ZINC000414549367 824008379 /nfs/dbraw/zinc/00/83/79/824008379.db2.gz LEKMQRHYXYLEIS-OAHLLOKOSA-N 1 1 399.760 4.388 20 0 GIADMO Cc1cc(Br)c(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1Cl ZINC000414549367 824008382 /nfs/dbraw/zinc/00/83/82/824008382.db2.gz LEKMQRHYXYLEIS-OAHLLOKOSA-N 1 1 399.760 4.388 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000575837912 824008743 /nfs/dbraw/zinc/00/87/43/824008743.db2.gz SQWGIFMVPTXXLT-IBGZPJMESA-N 1 1 385.376 4.411 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000575837912 824008747 /nfs/dbraw/zinc/00/87/47/824008747.db2.gz SQWGIFMVPTXXLT-IBGZPJMESA-N 1 1 385.376 4.411 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000414550053 824009161 /nfs/dbraw/zinc/00/91/61/824009161.db2.gz MMXCIDRYAXTMHN-NRFANRHFSA-N 1 1 396.506 4.382 20 0 GIADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000414551122 824009887 /nfs/dbraw/zinc/00/98/87/824009887.db2.gz AWVDQLQSISJFJD-NVXWUHKLSA-N 1 1 380.554 4.329 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cnc2ccc(C)cn12)C(C)C ZINC000414555842 824011537 /nfs/dbraw/zinc/01/15/37/824011537.db2.gz MTUXWXXKCLWLHZ-LJQANCHMSA-N 1 1 399.560 4.015 20 0 GIADMO NC(=O)C[N@@H+]1CCc2ccc(N[C@@H]3CCCc4c5ccccc5sc43)cc2C1 ZINC000575859421 824014572 /nfs/dbraw/zinc/01/45/72/824014572.db2.gz SEYOMHVRWDDQLO-HXUWFJFHSA-N 1 1 391.540 4.234 20 0 GIADMO NC(=O)C[N@H+]1CCc2ccc(N[C@@H]3CCCc4c5ccccc5sc43)cc2C1 ZINC000575859421 824014581 /nfs/dbraw/zinc/01/45/81/824014581.db2.gz SEYOMHVRWDDQLO-HXUWFJFHSA-N 1 1 391.540 4.234 20 0 GIADMO Cc1cccnc1C(F)(F)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000192518765 824018277 /nfs/dbraw/zinc/01/82/77/824018277.db2.gz RGXZETAKOQZTAN-UHFFFAOYSA-N 1 1 384.430 4.489 20 0 GIADMO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000170960088 824019427 /nfs/dbraw/zinc/01/94/27/824019427.db2.gz WGGUFABMFSDJCR-UHFFFAOYSA-N 1 1 389.471 4.312 20 0 GIADMO CC[N@H+]1CC[C@@H](CNC(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000170969536 824022765 /nfs/dbraw/zinc/02/27/65/824022765.db2.gz WEHYOBUSTMSRCU-KRWDZBQOSA-N 1 1 381.545 4.137 20 0 GIADMO CCCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000127132799 824023802 /nfs/dbraw/zinc/02/38/02/824023802.db2.gz VCOUEQFUBQKRPV-QGZVFWFLSA-N 1 1 380.492 4.258 20 0 GIADMO CCCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000127132585 824023840 /nfs/dbraw/zinc/02/38/40/824023840.db2.gz VCOUEQFUBQKRPV-KRWDZBQOSA-N 1 1 380.492 4.258 20 0 GIADMO COc1ccc2sc(-c3nc([C@@H]4C[N@H+]5CCC[C@@]5(C)CO4)no3)c(C)c2c1 ZINC000575907101 824026009 /nfs/dbraw/zinc/02/60/09/824026009.db2.gz XIVDITMOJJZDFE-YWZLYKJASA-N 1 1 385.489 4.194 20 0 GIADMO CCCO[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000170990139 824029543 /nfs/dbraw/zinc/02/95/43/824029543.db2.gz VRGULCTZXXOFQU-ZWKOTPCHSA-N 1 1 376.566 4.185 20 0 GIADMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000192554991 824030157 /nfs/dbraw/zinc/03/01/57/824030157.db2.gz QUSREXNSFLNKQM-UHFFFAOYSA-N 1 1 380.385 4.193 20 0 GIADMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccccc2C(F)(F)F)CC1 ZINC000192554991 824030159 /nfs/dbraw/zinc/03/01/59/824030159.db2.gz QUSREXNSFLNKQM-UHFFFAOYSA-N 1 1 380.385 4.193 20 0 GIADMO Fc1ccc(-c2nn(-c3ccccc3)cc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414832569 824040455 /nfs/dbraw/zinc/04/04/55/824040455.db2.gz QUBRLFCVVONEHJ-WCRBZPEASA-N 1 1 376.479 4.051 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2csc3ccccc23)CC1 ZINC000575981765 824043820 /nfs/dbraw/zinc/04/38/20/824043820.db2.gz OIHZXFAQTWJBJG-UHFFFAOYSA-N 1 1 381.501 4.358 20 0 GIADMO Cc1cccc2nc(C[N@H+]3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)cn21 ZINC000171038384 824044040 /nfs/dbraw/zinc/04/40/40/824044040.db2.gz KYMFYRQAANUEPA-KRWDZBQOSA-N 1 1 391.450 4.211 20 0 GIADMO O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000192606714 824044485 /nfs/dbraw/zinc/04/44/85/824044485.db2.gz UVCZSZZPVBIPHN-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000192606714 824044489 /nfs/dbraw/zinc/04/44/89/824044489.db2.gz UVCZSZZPVBIPHN-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO Cc1nc(-c2cccnc2)nc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000575992755 824045702 /nfs/dbraw/zinc/04/57/02/824045702.db2.gz IVIFHPQTGPIEJI-VWLOTQADSA-N 1 1 399.542 4.258 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000192631502 824050890 /nfs/dbraw/zinc/05/08/90/824050890.db2.gz DRSXXFMKIXUTQZ-YVEFUNNKSA-N 1 1 385.430 4.113 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000576023352 824051734 /nfs/dbraw/zinc/05/17/34/824051734.db2.gz MUSNKIABZVUVAU-GOSISDBHSA-N 1 1 391.309 4.479 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000576023352 824051737 /nfs/dbraw/zinc/05/17/37/824051737.db2.gz MUSNKIABZVUVAU-GOSISDBHSA-N 1 1 391.309 4.479 20 0 GIADMO CC(C)n1cc(C(C)(C)[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)nn1 ZINC000576024496 824052024 /nfs/dbraw/zinc/05/20/24/824052024.db2.gz NZCWBBKWHKCRFA-UHFFFAOYSA-N 1 1 381.307 4.467 20 0 GIADMO Fc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ccc1OC(F)F ZINC000576028826 824053387 /nfs/dbraw/zinc/05/33/87/824053387.db2.gz XHGDVGMGBGMAHV-AOIWGVFYSA-N 1 1 377.406 4.432 20 0 GIADMO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cccc(Cl)c4)CC3)cc2NC1=O ZINC000171066305 824054382 /nfs/dbraw/zinc/05/43/82/824054382.db2.gz CSTSJGZIGIAUIG-AWEZNQCLSA-N 1 1 398.890 4.154 20 0 GIADMO COc1ccc([C@@H](O)[C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978595 209209846 /nfs/dbraw/zinc/20/98/46/209209846.db2.gz OKXZBWPTVSDXCS-UYAOXDASSA-N 1 1 399.878 4.097 20 0 GIADMO c1csc(-c2nc(C[NH+]3CCC(c4nnc5ccccn54)CC3)cs2)c1 ZINC000067443428 211009845 /nfs/dbraw/zinc/00/98/45/211009845.db2.gz CIHQTFCOERUFQC-UHFFFAOYSA-N 1 1 381.530 4.294 20 0 GIADMO Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C3CC[NH+](C)CC3)n[nH]2)cc1 ZINC000019718240 210289619 /nfs/dbraw/zinc/28/96/19/210289619.db2.gz CDIWHPSNDHTDQO-UHFFFAOYSA-N 1 1 388.515 4.122 20 0 GIADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)C2 ZINC001164449048 718992622 /nfs/dbraw/zinc/99/26/22/718992622.db2.gz LLHDQKADEDEOPL-UHFFFAOYSA-N 1 1 393.800 4.006 20 0 GIADMO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164621972 719055795 /nfs/dbraw/zinc/05/57/95/719055795.db2.gz KJTFXWJFOUTCIU-DLBZAZTESA-N 1 1 392.881 4.084 20 0 GIADMO c1ccc(C[N@H+]2C[C@@H]3CCCN(c4nccc(Oc5ccccc5)n4)[C@@H]3C2)cc1 ZINC001164619958 719066873 /nfs/dbraw/zinc/06/68/73/719066873.db2.gz DKJFKVXXPQUQMX-RBBKRZOGSA-N 1 1 386.499 4.370 20 0 GIADMO Clc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2cccnc2n1 ZINC001164628882 719075123 /nfs/dbraw/zinc/07/51/23/719075123.db2.gz UGOFDUKBSKIWFC-PXNSSMCTSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1ccnc2cc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ncc12 ZINC001164629514 719075980 /nfs/dbraw/zinc/07/59/80/719075980.db2.gz XUFZTVFASUCXHV-DYESRHJHSA-N 1 1 378.907 4.384 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001164623636 719077293 /nfs/dbraw/zinc/07/72/93/719077293.db2.gz KBPRBTUWRCGXKG-LEWJYISDSA-N 1 1 393.531 4.138 20 0 GIADMO Cc1nc2c(nc(Cl)nc2N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001164622801 719081544 /nfs/dbraw/zinc/08/15/44/719081544.db2.gz IUWJXSDGZHTWMW-HOTGVXAUSA-N 1 1 399.951 4.149 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164649766 719306536 /nfs/dbraw/zinc/30/65/36/719306536.db2.gz XVHBMOWVZZNUHN-UHFFFAOYSA-N 1 1 383.927 4.290 20 0 GIADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(C)C)nc(C)n2)CC3)cs1 ZINC001164694359 719804254 /nfs/dbraw/zinc/80/42/54/719804254.db2.gz XRWZVOABDCQLCA-UHFFFAOYSA-N 1 1 385.581 4.308 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4ccc(F)cc42)CC3)cs1 ZINC001164692947 719804421 /nfs/dbraw/zinc/80/44/21/719804421.db2.gz QTLKTBUWMSGGRK-UHFFFAOYSA-N 1 1 397.523 4.169 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)c4cc[nH]c4n2)CC3)cs1 ZINC001164691292 719811445 /nfs/dbraw/zinc/81/14/45/719811445.db2.gz DSRGFNLCDPRDKO-UHFFFAOYSA-N 1 1 381.549 4.271 20 0 GIADMO Cc1cc2ccccc2nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696073 719888919 /nfs/dbraw/zinc/88/89/19/719888919.db2.gz WDULLZILSYJOKJ-UHFFFAOYSA-N 1 1 393.556 4.476 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3cccc(C)c3n1)C2 ZINC001164808597 720076432 /nfs/dbraw/zinc/07/64/32/720076432.db2.gz IHJWFLPOJBCULW-YKSBVNFPSA-N 1 1 379.548 4.036 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164811128 720137129 /nfs/dbraw/zinc/13/71/29/720137129.db2.gz LOJBYDJLJKLDKU-AVRDEDQJSA-N 1 1 385.939 4.073 20 0 GIADMO Fc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723172 720329401 /nfs/dbraw/zinc/32/94/01/720329401.db2.gz HILRLMJPIRVHQG-MOPGFXCFSA-N 1 1 382.870 4.276 20 0 GIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727373 720337245 /nfs/dbraw/zinc/33/72/45/720337245.db2.gz UBLHUPDRHQXNTB-HOTGVXAUSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727373 720337254 /nfs/dbraw/zinc/33/72/54/720337254.db2.gz UBLHUPDRHQXNTB-HOTGVXAUSA-N 1 1 399.272 4.182 20 0 GIADMO Fc1ccc2nc(Cl)cc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729768 720358043 /nfs/dbraw/zinc/35/80/43/720358043.db2.gz XYGHZFOFSAEMDK-OALUTQOASA-N 1 1 382.870 4.276 20 0 GIADMO Clc1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(-c2ccccc2)n1 ZINC001164735032 720454837 /nfs/dbraw/zinc/45/48/37/720454837.db2.gz VBNUVXUTUYJSTA-RTBURBONSA-N 1 1 391.906 4.045 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](O)[C@@H]2Cc2ccccc2)nc1 ZINC001164832565 720493620 /nfs/dbraw/zinc/49/36/20/720493620.db2.gz JRUQWUXLEJBVLV-VJBWXMMDSA-N 1 1 379.548 4.201 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3ccccc3n1)CC2 ZINC001164837625 720659798 /nfs/dbraw/zinc/65/97/98/720659798.db2.gz DLDLXCBOXRAWEZ-QFIPXVFZSA-N 1 1 387.527 4.495 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(F)cc1Cl)CC2 ZINC001164845333 720683298 /nfs/dbraw/zinc/68/32/98/720683298.db2.gz YHYPUUCKEVZKSQ-SFHVURJKSA-N 1 1 389.902 4.134 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(CCC(=O)N3)[C@H]2CC)nc1 ZINC001164849005 720757153 /nfs/dbraw/zinc/75/71/53/720757153.db2.gz RUKIRKLQLRMPBZ-VIZSFHNOSA-N 1 1 384.568 4.046 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCC[C@@]3(COC)C2)nc1 ZINC001164847019 720829385 /nfs/dbraw/zinc/82/93/85/720829385.db2.gz HOYBMFAQRMOVDQ-GIWBLDEGSA-N 1 1 387.568 4.041 20 0 GIADMO CC(C)c1cc2c(ncnc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)s1 ZINC001164854596 720919424 /nfs/dbraw/zinc/91/94/24/720919424.db2.gz FYLXIRMFRRKKOS-HNNXBMFYSA-N 1 1 398.580 4.433 20 0 GIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(C(C)(C)C)n1)[C@@H]2C ZINC001164863426 720993359 /nfs/dbraw/zinc/99/33/59/720993359.db2.gz VIHHSBCXDFKINE-CQSZACIVSA-N 1 1 390.963 4.045 20 0 GIADMO Cc1c[nH]c2nc(Cl)cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164859656 720997034 /nfs/dbraw/zinc/99/70/34/720997034.db2.gz KXSXQXAYEMHMFW-CQSZACIVSA-N 1 1 386.931 4.143 20 0 GIADMO C[N@@H+](Cc1ccc(N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)nc1)C1CC1 ZINC001164772033 721060771 /nfs/dbraw/zinc/06/07/71/721060771.db2.gz OFLVRPCBHKNRHC-XUZZJYLKSA-N 1 1 377.532 4.219 20 0 GIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001164878773 721325957 /nfs/dbraw/zinc/32/59/57/721325957.db2.gz PJFDBMUUQXUNSE-UHFFFAOYSA-N 1 1 394.853 4.068 20 0 GIADMO Fc1cc2ccnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2cc1Cl ZINC001164782113 721434967 /nfs/dbraw/zinc/43/49/67/721434967.db2.gz GJARRNOIQOUEJV-KBPBESRZSA-N 1 1 388.899 4.052 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](CCN3C(=O)C(C)C)C2)nc1 ZINC001164888199 721467198 /nfs/dbraw/zinc/46/71/98/721467198.db2.gz FDQYJQNXWJNIIQ-YPAWHYETSA-N 1 1 398.595 4.102 20 0 GIADMO Cc1cccc2c1ccnc2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164906939 721534989 /nfs/dbraw/zinc/53/49/89/721534989.db2.gz LZFYHBDCIOXAFY-AZUAARDMSA-N 1 1 377.463 4.024 20 0 GIADMO Cc1cccc2ccnc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164906520 721560651 /nfs/dbraw/zinc/56/06/51/721560651.db2.gz JRVUNEHZCKBGNQ-PZJWPPBQSA-N 1 1 377.463 4.024 20 0 GIADMO Cc1cc2c(ncnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001165023335 721798820 /nfs/dbraw/zinc/79/88/20/721798820.db2.gz JNEUQKSFGRDQAT-VDGAXYAQSA-N 1 1 393.560 4.132 20 0 GIADMO Cc1nc(C(C)C)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165025799 721802198 /nfs/dbraw/zinc/80/21/98/721802198.db2.gz OYCGETGZFUSMNX-VCOUNFBDSA-N 1 1 379.552 4.040 20 0 GIADMO Cc1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1 ZINC001165026333 721806212 /nfs/dbraw/zinc/80/62/12/721806212.db2.gz QSILOAVJIDCWLA-AVCGJXAMSA-N 1 1 387.531 4.070 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccsc43)C[C@H]21 ZINC001165026932 721807587 /nfs/dbraw/zinc/80/75/87/721807587.db2.gz SPCWGFXANYVCBQ-DFQSSKMNSA-N 1 1 378.545 4.428 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccsc43)C[C@@H]21 ZINC001165026934 721807761 /nfs/dbraw/zinc/80/77/61/721807761.db2.gz SPCWGFXANYVCBQ-YSIASYRMSA-N 1 1 378.545 4.428 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CCCC4)C[C@@H]21 ZINC001165026469 721809264 /nfs/dbraw/zinc/80/92/64/721809264.db2.gz QSGYZFKGTJPADI-IEIRFRATSA-N 1 1 376.548 4.092 20 0 GIADMO Cc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024887 721820763 /nfs/dbraw/zinc/82/07/63/721820763.db2.gz KUICLRLRPXKJAW-ILZDJORESA-N 1 1 393.560 4.132 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(-c4ccccc4)cn3)C[C@@H]21 ZINC001165024643 721823517 /nfs/dbraw/zinc/82/35/17/721823517.db2.gz KVEWGNQBAPFHDQ-JCTONOIOSA-N 1 1 399.542 4.276 20 0 GIADMO CSCc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165022191 721827729 /nfs/dbraw/zinc/82/77/29/721827729.db2.gz GQCVOZOOTAKBLQ-CEWLAPEOSA-N 1 1 382.577 4.077 20 0 GIADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930547 721877353 /nfs/dbraw/zinc/87/73/53/721877353.db2.gz DEWCJBOVYPWAAP-RPWUZVMVSA-N 1 1 386.543 4.116 20 0 GIADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930547 721877355 /nfs/dbraw/zinc/87/73/55/721877355.db2.gz DEWCJBOVYPWAAP-RPWUZVMVSA-N 1 1 386.543 4.116 20 0 GIADMO c1cc(-c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)cs1 ZINC001164962695 722023838 /nfs/dbraw/zinc/02/38/38/722023838.db2.gz QYFGRQRJVOQWMS-UHFFFAOYSA-N 1 1 391.544 4.093 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2ccnc(Cl)n2)C3)c1 ZINC001164991128 722190903 /nfs/dbraw/zinc/19/09/03/722190903.db2.gz ZRKOYMBPBVMCKZ-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2ccnc(Cl)n2)C3)c1 ZINC001164991128 722190906 /nfs/dbraw/zinc/19/09/06/722190906.db2.gz ZRKOYMBPBVMCKZ-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO COc1ccc2ncnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164994682 722195849 /nfs/dbraw/zinc/19/58/49/722195849.db2.gz OZWWLAABYXGYAH-HSZRJFAPSA-N 1 1 392.478 4.022 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4cnccc42)C3)c1 ZINC001164995797 722197255 /nfs/dbraw/zinc/19/72/55/722197255.db2.gz YAXKSXXWYDTPCG-OAQYLSRUSA-N 1 1 397.885 4.062 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cnc4ccc(F)cc4n2)C3)c1 ZINC001164992675 722197882 /nfs/dbraw/zinc/19/78/82/722197882.db2.gz APGOWQAKAUIGSB-JOCHJYFZSA-N 1 1 380.442 4.153 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4cccc(F)c42)C3)c1 ZINC001164994088 722201903 /nfs/dbraw/zinc/20/19/03/722201903.db2.gz FPJWWNGSRYIDDU-QFIPXVFZSA-N 1 1 380.442 4.153 20 0 GIADMO COc1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994452 722203945 /nfs/dbraw/zinc/20/39/45/722203945.db2.gz HFKVSBUEOHEHTE-HXUWFJFHSA-N 1 1 375.875 4.128 20 0 GIADMO COc1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994452 722203949 /nfs/dbraw/zinc/20/39/49/722203949.db2.gz HFKVSBUEOHEHTE-HXUWFJFHSA-N 1 1 375.875 4.128 20 0 GIADMO CSc1cnc(Cl)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996723 722206791 /nfs/dbraw/zinc/20/67/91/722206791.db2.gz VVZOJWPPXWKGFA-LJQANCHMSA-N 1 1 392.931 4.236 20 0 GIADMO CSc1cnc(Cl)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996723 722206793 /nfs/dbraw/zinc/20/67/93/722206793.db2.gz VVZOJWPPXWKGFA-LJQANCHMSA-N 1 1 392.931 4.236 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)c2)cc1 ZINC000458478392 823045380 /nfs/dbraw/zinc/04/53/80/823045380.db2.gz CSVFQTVQDZMSNS-JOCHJYFZSA-N 1 1 399.560 4.051 20 0 GIADMO Cc1csc([C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)n1 ZINC000175824697 823048534 /nfs/dbraw/zinc/04/85/34/823048534.db2.gz DGFTWWVUMSQRHA-PXNSSMCTSA-N 1 1 398.576 4.209 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1cc(Cl)ccc1F ZINC000175828558 823049497 /nfs/dbraw/zinc/04/94/97/823049497.db2.gz BNSWXZZBYUFRCM-BBRMVZONSA-N 1 1 382.888 4.067 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1cc(Cl)ccc1F ZINC000175828558 823049504 /nfs/dbraw/zinc/04/95/04/823049504.db2.gz BNSWXZZBYUFRCM-BBRMVZONSA-N 1 1 382.888 4.067 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccccc1Cl ZINC000175830047 823049640 /nfs/dbraw/zinc/04/96/40/823049640.db2.gz QHKLFOZUYGGSQP-YOEHRIQHSA-N 1 1 378.925 4.318 20 0 GIADMO CSCc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000187364120 823050362 /nfs/dbraw/zinc/05/03/62/823050362.db2.gz HFQQVIYUWZLMKI-APWZRJJASA-N 1 1 375.582 4.002 20 0 GIADMO COc1cc(C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)ccc1OC(F)F ZINC000120729467 823053832 /nfs/dbraw/zinc/05/38/32/823053832.db2.gz JUFPWVLKXLQTEQ-QGZVFWFLSA-N 1 1 381.394 4.134 20 0 GIADMO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458610047 823063343 /nfs/dbraw/zinc/06/33/43/823063343.db2.gz LWXWLICNZMOVFC-TWOQFEAHSA-N 1 1 397.485 4.325 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)CCc1ccccn1 ZINC000120777653 823061910 /nfs/dbraw/zinc/06/19/10/823061910.db2.gz ZSZHLBYUWYZCQG-UHFFFAOYSA-N 1 1 385.309 4.013 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)N2CC(C)(CC(F)(F)F)C2)C[N@H+]1Cc1ccccc1 ZINC000458606955 823062884 /nfs/dbraw/zinc/06/28/84/823062884.db2.gz WZBCXAXDFIXKLM-AEFFLSMTSA-N 1 1 397.485 4.271 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)N2CC(C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458613636 823063874 /nfs/dbraw/zinc/06/38/74/823063874.db2.gz JDZUUPZLIQRVPT-KBXCAEBGSA-N 1 1 381.923 4.159 20 0 GIADMO CC[N@@H+]1CC[C@@H](CNCc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000120792338 823065015 /nfs/dbraw/zinc/06/50/15/823065015.db2.gz KIYWUWMQXMEPCK-IBGZPJMESA-N 1 1 380.561 4.091 20 0 GIADMO CC[N@H+]1CC[C@@H](CNCc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000120792338 823065027 /nfs/dbraw/zinc/06/50/27/823065027.db2.gz KIYWUWMQXMEPCK-IBGZPJMESA-N 1 1 380.561 4.091 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H]3Cc3ccc(F)cc3)cc(=O)oc2c1 ZINC000055908734 823065848 /nfs/dbraw/zinc/06/58/48/823065848.db2.gz IDIMWDMXUPVORT-FQEVSTJZSA-N 1 1 394.446 4.098 20 0 GIADMO Cc1cc(Sc2ncccn2)ccc1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000175895652 823066276 /nfs/dbraw/zinc/06/62/76/823066276.db2.gz QZDUVZUCGGEGDQ-KRWDZBQOSA-N 1 1 399.564 4.274 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000055918930 823066727 /nfs/dbraw/zinc/06/67/27/823066727.db2.gz MOWGUGJOZARYHR-HOTGVXAUSA-N 1 1 386.467 4.086 20 0 GIADMO C[C@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458641870 823068252 /nfs/dbraw/zinc/06/82/52/823068252.db2.gz WCLUSUFFOJALOZ-DOTOQJQBSA-N 1 1 375.944 4.102 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000570671317 823070161 /nfs/dbraw/zinc/07/01/61/823070161.db2.gz CLGHIJKGDJQFDF-QZTJIDSGSA-N 1 1 384.524 4.355 20 0 GIADMO CN(C)Cc1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)ccc1F ZINC000120822673 823071408 /nfs/dbraw/zinc/07/14/08/823071408.db2.gz HBZGUZBVJKOENW-SFHVURJKSA-N 1 1 393.300 4.263 20 0 GIADMO CC(C)c1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000120827906 823072548 /nfs/dbraw/zinc/07/25/48/823072548.db2.gz UZWASFWSANNXMA-FQEVSTJZSA-N 1 1 381.520 4.088 20 0 GIADMO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458681324 823073354 /nfs/dbraw/zinc/07/33/54/823073354.db2.gz NSRWQVLIPMWENV-IPJJNNNSSA-N 1 1 397.538 4.309 20 0 GIADMO O=C(CCc1ccc2[nH]ccc2c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000570707487 823074062 /nfs/dbraw/zinc/07/40/62/823074062.db2.gz SQPZOQVTZFWACL-RUZDIDTESA-N 1 1 387.527 4.225 20 0 GIADMO C[NH+](C)Cc1ccc(NC(=O)C2(C(F)F)CCCC2)cc1Br ZINC000570720196 823075651 /nfs/dbraw/zinc/07/56/51/823075651.db2.gz ZZDHJJXJSOMPQH-UHFFFAOYSA-N 1 1 375.257 4.275 20 0 GIADMO C[C@@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458701350 823076004 /nfs/dbraw/zinc/07/60/04/823076004.db2.gz ZKUILWPARLCABA-XLIONFOSSA-N 1 1 397.950 4.359 20 0 GIADMO Fc1ccc(OCc2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)cc1 ZINC000570723814 823076103 /nfs/dbraw/zinc/07/61/03/823076103.db2.gz BVIYPIZLMLKLAB-WZONZLPQSA-N 1 1 393.462 4.341 20 0 GIADMO CC[N@@H+](CCNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)CCC(F)(F)F ZINC000458704435 823076430 /nfs/dbraw/zinc/07/64/30/823076430.db2.gz AQEHPQJQRAZLBS-STQMWFEESA-N 1 1 391.400 4.071 20 0 GIADMO C=Cn1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734152 823078223 /nfs/dbraw/zinc/07/82/23/823078223.db2.gz PNBZDNXWVUUYFL-HKUYNNGSSA-N 1 1 378.442 4.175 20 0 GIADMO C=Cn1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000570734152 823078228 /nfs/dbraw/zinc/07/82/28/823078228.db2.gz PNBZDNXWVUUYFL-HKUYNNGSSA-N 1 1 378.442 4.175 20 0 GIADMO CC1(C)OCc2cc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)ccc2O1 ZINC000187514167 823078704 /nfs/dbraw/zinc/07/87/04/823078704.db2.gz BYPIIEDWOKRFTD-INIZCTEOSA-N 1 1 395.425 4.384 20 0 GIADMO CCCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC ZINC000187514288 823078764 /nfs/dbraw/zinc/07/87/64/823078764.db2.gz NFMIIXWDVHPZCE-QFIPXVFZSA-N 1 1 383.467 4.236 20 0 GIADMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458741892 823080195 /nfs/dbraw/zinc/08/01/95/823080195.db2.gz NEJCSJSEBWVJJJ-OGWHTMIXSA-N 1 1 397.485 4.269 20 0 GIADMO CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OCC ZINC000187523440 823081084 /nfs/dbraw/zinc/08/10/84/823081084.db2.gz GIIZICIHFBTIBH-JOCHJYFZSA-N 1 1 383.467 4.236 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2c(Cl)cccc2Cl)CC1 ZINC000187523442 823081135 /nfs/dbraw/zinc/08/11/35/823081135.db2.gz RGLVKCUZAXESGN-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000175976254 823086688 /nfs/dbraw/zinc/08/66/88/823086688.db2.gz MTNZWOPPOVEBSB-UHFFFAOYSA-N 1 1 394.563 4.006 20 0 GIADMO Brc1ccccc1-c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)s1 ZINC000187534793 823083937 /nfs/dbraw/zinc/08/39/37/823083937.db2.gz FQRKTTSOFNTYIB-SFHVURJKSA-N 1 1 394.334 4.169 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1C ZINC000570773858 823085225 /nfs/dbraw/zinc/08/52/25/823085225.db2.gz WGZCJSOPOFSQFR-KNQAVFIVSA-N 1 1 379.548 4.021 20 0 GIADMO COc1cc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c(SC)cc1OC ZINC000570773716 823085256 /nfs/dbraw/zinc/08/52/56/823085256.db2.gz DRAVWWYJKAFBSB-SFHVURJKSA-N 1 1 384.545 4.063 20 0 GIADMO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(F)c(Br)c2)o1 ZINC000187559777 823088552 /nfs/dbraw/zinc/08/85/52/823088552.db2.gz JWEYDHVSAOPMFV-IRXDYDNUSA-N 1 1 398.272 4.198 20 0 GIADMO COCc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)c(Br)c2)o1 ZINC000187559777 823088558 /nfs/dbraw/zinc/08/85/58/823088558.db2.gz JWEYDHVSAOPMFV-IRXDYDNUSA-N 1 1 398.272 4.198 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)CN2CCCCCC2)cc1OCc1cccnc1 ZINC000187564592 823089142 /nfs/dbraw/zinc/08/91/42/823089142.db2.gz QLZGUJUPAFCNES-IBGZPJMESA-N 1 1 383.536 4.023 20 0 GIADMO COc1ccc2nc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)sc2c1 ZINC000187567457 823089659 /nfs/dbraw/zinc/08/96/59/823089659.db2.gz JHZJHQSBZSOOPE-UHFFFAOYSA-N 1 1 386.492 4.014 20 0 GIADMO Cc1ccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C2CC2)cc1F ZINC000570809618 823089863 /nfs/dbraw/zinc/08/98/63/823089863.db2.gz BVZZDHFPJGKVMM-UHFFFAOYSA-N 1 1 385.531 4.284 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000187568488 823089986 /nfs/dbraw/zinc/08/99/86/823089986.db2.gz UIWLZDAJMNJXBE-LADGPHEKSA-N 1 1 396.531 4.168 20 0 GIADMO CC[C@@]1(CO)CCC[N@H+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000187568488 823089991 /nfs/dbraw/zinc/08/99/91/823089991.db2.gz UIWLZDAJMNJXBE-LADGPHEKSA-N 1 1 396.531 4.168 20 0 GIADMO COc1ccccc1NC(=O)[C@@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000056154997 823091029 /nfs/dbraw/zinc/09/10/29/823091029.db2.gz MSVNWRNJGKNWPL-LJQANCHMSA-N 1 1 395.547 4.044 20 0 GIADMO COc1cc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)ccc1OC1CCCC1 ZINC000056158257 823091880 /nfs/dbraw/zinc/09/18/80/823091880.db2.gz FCKDWPQRXBZDMC-HSZRJFAPSA-N 1 1 394.515 4.126 20 0 GIADMO COC1(C)CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000570834077 823093397 /nfs/dbraw/zinc/09/33/97/823093397.db2.gz JQDYLNASUSUZQY-UHFFFAOYSA-N 1 1 396.560 4.425 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000570843210 823094119 /nfs/dbraw/zinc/09/41/19/823094119.db2.gz OLEPAFOACGPMTK-OXJNMPFZSA-N 1 1 375.472 4.043 20 0 GIADMO C[C@H](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000120965587 823094178 /nfs/dbraw/zinc/09/41/78/823094178.db2.gz RKRZQHIBPSZYIH-RKVPGOIHSA-N 1 1 385.474 4.181 20 0 GIADMO C[C@@H]1[C@@H](NC(=O)N(CCC(F)(F)F)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000570841395 823094252 /nfs/dbraw/zinc/09/42/52/823094252.db2.gz AFIMTYSTGDPYKM-QAPCUYQASA-N 1 1 383.458 4.023 20 0 GIADMO Cc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)n1CC(F)(F)F ZINC000056168478 823094751 /nfs/dbraw/zinc/09/47/51/823094751.db2.gz SAUXQEQULMEELY-YJBOKZPZSA-N 1 1 393.453 4.233 20 0 GIADMO COc1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1OCC(C)C ZINC000120968901 823094903 /nfs/dbraw/zinc/09/49/03/823094903.db2.gz IHLPROWPNQRPOQ-UHFFFAOYSA-N 1 1 384.520 4.174 20 0 GIADMO CCSc1cccnc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000570852356 823095576 /nfs/dbraw/zinc/09/55/76/823095576.db2.gz VGAMPXOYTVUBDA-INIZCTEOSA-N 1 1 389.590 4.158 20 0 GIADMO CCCN(C(=O)NCc1c(C)onc1CC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000458838397 823095678 /nfs/dbraw/zinc/09/56/78/823095678.db2.gz HZLYFCGWICDQBZ-FQEVSTJZSA-N 1 1 398.551 4.132 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000458839882 823095819 /nfs/dbraw/zinc/09/58/19/823095819.db2.gz RZBSTAJMBHZWIG-PMVMPFDFSA-N 1 1 398.595 4.294 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H](C)c2ccc(Br)cc2)c1 ZINC000120983400 823097484 /nfs/dbraw/zinc/09/74/84/823097484.db2.gz KTMAJAXWEMYODU-CYBMUJFWSA-N 1 1 385.265 4.080 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1OC ZINC000056182181 823097461 /nfs/dbraw/zinc/09/74/61/823097461.db2.gz LFHCFADQQQXMPR-JTSKRJEESA-N 1 1 382.504 4.108 20 0 GIADMO C[C@@H](c1ccco1)N(C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 ZINC000056185928 823098569 /nfs/dbraw/zinc/09/85/69/823098569.db2.gz RSALGMRFRJBLEG-KURKYZTESA-N 1 1 382.504 4.255 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000187625931 823100200 /nfs/dbraw/zinc/10/02/00/823100200.db2.gz FIMJYZNMJPKCRB-AWEZNQCLSA-N 1 1 397.363 4.044 20 0 GIADMO COc1cccc(COC[C@H](O)C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000121017167 823103467 /nfs/dbraw/zinc/10/34/67/823103467.db2.gz CAQGXQVYBYODAA-HYBUGGRVSA-N 1 1 394.515 4.281 20 0 GIADMO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1cc(F)c(Cl)cc1Cl ZINC000176040067 823103768 /nfs/dbraw/zinc/10/37/68/823103768.db2.gz XEPSTRGTCBXVOF-GDLVEWKHSA-N 1 1 376.303 4.175 20 0 GIADMO O=C(NC1CC1)[C@@H]([NH2+]Cc1cccc(COc2ccccc2)c1)c1ccccc1 ZINC000056214441 823105229 /nfs/dbraw/zinc/10/52/29/823105229.db2.gz UKHQFNUWDIMQNB-DEOSSOPVSA-N 1 1 386.495 4.375 20 0 GIADMO O=C(C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1)C(F)(F)F ZINC000187659344 823107185 /nfs/dbraw/zinc/10/71/85/823107185.db2.gz WUWVBDPQTLPSNB-UHFFFAOYSA-N 1 1 382.338 4.198 20 0 GIADMO CC(C)c1ccccc1-n1c(SC[C@H]2CC[N@@H+](C)C2)nnc1-c1cccnc1 ZINC000187659941 823107582 /nfs/dbraw/zinc/10/75/82/823107582.db2.gz PHBRKUJZZREGLV-KRWDZBQOSA-N 1 1 393.560 4.497 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)c2ccccn2)CC1 ZINC000458928621 823107682 /nfs/dbraw/zinc/10/76/82/823107682.db2.gz XCQKNXMCPLENSX-LJQANCHMSA-N 1 1 386.584 4.045 20 0 GIADMO C[N@H+]1CC[C@@H](CSc2nnc(COc3ccccc3F)n2-c2ccccc2)C1 ZINC000187661853 823108132 /nfs/dbraw/zinc/10/81/32/823108132.db2.gz WWNYADIKAKTOSW-MRXNPFEDSA-N 1 1 398.507 4.029 20 0 GIADMO CCC(CC)[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000570939055 823110097 /nfs/dbraw/zinc/11/00/97/823110097.db2.gz CFMLAMKMUWGZIB-XMMPIXPASA-N 1 1 399.623 4.476 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)oc1-c1ccc(Cl)cc1 ZINC000121058549 823110513 /nfs/dbraw/zinc/11/05/13/823110513.db2.gz ANVZDSCFXTZKDS-MRXNPFEDSA-N 1 1 397.910 4.221 20 0 GIADMO Cc1cccc(-c2n[nH]cc2C[N@@H+](CCc2ccccn2)Cc2ccncc2)c1 ZINC000570972929 823113930 /nfs/dbraw/zinc/11/39/30/823113930.db2.gz SJNIMISNAYJBFV-UHFFFAOYSA-N 1 1 383.499 4.420 20 0 GIADMO C[C@H]([NH2+]Cc1cc(Br)ccc1F)C(=O)N1c2ccccc2C[C@@H]1C ZINC000570957639 823111987 /nfs/dbraw/zinc/11/19/87/823111987.db2.gz FLRFXNVCPKICFV-STQMWFEESA-N 1 1 391.284 4.044 20 0 GIADMO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000121090219 823116677 /nfs/dbraw/zinc/11/66/77/823116677.db2.gz QIHDPMFJFOFZPN-CQSZACIVSA-N 1 1 385.474 4.275 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H](c3ccc(F)c(Cl)c3)C3CC3)C2)C1 ZINC000459014511 823116782 /nfs/dbraw/zinc/11/67/82/823116782.db2.gz OTMHXSLQYAVXSK-ICSRJNTNSA-N 1 1 379.907 4.058 20 0 GIADMO NC(=O)[C@H]([NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccccc1 ZINC000187707507 823117192 /nfs/dbraw/zinc/11/71/92/823117192.db2.gz YPPVJBBORYKPBP-ZWKOTPCHSA-N 1 1 391.284 4.246 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000570996406 823117654 /nfs/dbraw/zinc/11/76/54/823117654.db2.gz BUTSZPGBLOPJFQ-GOSISDBHSA-N 1 1 392.499 4.472 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1c(-c2cccs2)nc2ccccn21 ZINC000571010284 823119825 /nfs/dbraw/zinc/11/98/25/823119825.db2.gz YUMJJJLKXUJXFQ-UHFFFAOYSA-N 1 1 394.504 4.122 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000121107281 823119932 /nfs/dbraw/zinc/11/99/32/823119932.db2.gz PCVIVRCGPSQDSZ-OAQYLSRUSA-N 1 1 379.504 4.274 20 0 GIADMO Cc1ccn(-c2ccccc2C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000571016431 823120785 /nfs/dbraw/zinc/12/07/85/823120785.db2.gz NKLANXSFISAPGX-UWJYYQICSA-N 1 1 394.544 4.055 20 0 GIADMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(OC(C)C)cc1Cl ZINC000571022499 823121399 /nfs/dbraw/zinc/12/13/99/823121399.db2.gz DFBZAQQUXDOROZ-HNNXBMFYSA-N 1 1 375.900 4.191 20 0 GIADMO O=C(Nc1cccc(Oc2cnccn2)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121131883 823123715 /nfs/dbraw/zinc/12/37/15/823123715.db2.gz CLSBHUYHGMZMMK-NRFANRHFSA-N 1 1 388.471 4.262 20 0 GIADMO CC(C)(C)[NH+]1CCC(NC[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000571039772 823124104 /nfs/dbraw/zinc/12/41/04/823124104.db2.gz JTCUZFLLJRBWIR-QHCPKHFHSA-N 1 1 396.575 4.006 20 0 GIADMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000571070028 823127828 /nfs/dbraw/zinc/12/78/28/823127828.db2.gz BSKYYVJQRCJSNX-KDOFPFPSSA-N 1 1 390.936 4.026 20 0 GIADMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000571070437 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393.556 4.239 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(CN4CCCCC4=O)CC3)o2)cc1C ZINC000121165399 823130707 /nfs/dbraw/zinc/13/07/07/823130707.db2.gz QJKGMMWNRBOTHO-GOSISDBHSA-N 1 1 396.535 4.139 20 0 GIADMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC(C)(C)C2)C1 ZINC000459123369 823131063 /nfs/dbraw/zinc/13/10/63/823131063.db2.gz VNOQSJKGBXGWJM-QZTJIDSGSA-N 1 1 392.613 4.131 20 0 GIADMO O=C(CSc1n[nH]c(=S)s1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000176137760 823133162 /nfs/dbraw/zinc/13/31/62/823133162.db2.gz QJBLBOXVZCSMHW-UHFFFAOYSA-N 1 1 394.591 4.307 20 0 GIADMO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000571116679 823134426 /nfs/dbraw/zinc/13/44/26/823134426.db2.gz ASFCENQXEFZYMH-JOCHJYFZSA-N 1 1 389.503 4.010 20 0 GIADMO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000571116679 823134432 /nfs/dbraw/zinc/13/44/32/823134432.db2.gz ASFCENQXEFZYMH-JOCHJYFZSA-N 1 1 389.503 4.010 20 0 GIADMO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 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20 0 GIADMO C[C@@H](c1ccccc1)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056453772 823153521 /nfs/dbraw/zinc/15/35/21/823153521.db2.gz DTJQEMJKVZBXJG-INIZCTEOSA-N 1 1 387.474 4.332 20 0 GIADMO O=C(NCc1cccc(Cl)c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056453561 823153529 /nfs/dbraw/zinc/15/35/29/823153529.db2.gz GMDXLUBHDMHLFX-UHFFFAOYSA-N 1 1 393.865 4.082 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC000459269057 823154102 /nfs/dbraw/zinc/15/41/02/823154102.db2.gz SOJNFZUPKJJHFP-QAPCUYQASA-N 1 1 394.357 4.028 20 0 GIADMO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459268215 823154144 /nfs/dbraw/zinc/15/41/44/823154144.db2.gz RTVYDMQSTKTJJN-MRXNPFEDSA-N 1 1 396.373 4.101 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000459275068 823154984 /nfs/dbraw/zinc/15/49/84/823154984.db2.gz ZZWIKKJLXLYKNI-HNNXBMFYSA-N 1 1 383.458 4.111 20 0 GIADMO CSCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000187908714 823156796 /nfs/dbraw/zinc/15/67/96/823156796.db2.gz XWGSPASROXCBCU-IHWFROFDSA-N 1 1 375.582 4.015 20 0 GIADMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ccc1NC(=O)c1cccs1 ZINC000571264977 823157950 /nfs/dbraw/zinc/15/79/50/823157950.db2.gz CQWHSZXYFMWPJX-GOSISDBHSA-N 1 1 397.544 4.056 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc3c(Br)cccc23)CC2(CCOCC2)O1 ZINC000571271726 823158604 /nfs/dbraw/zinc/15/86/04/823158604.db2.gz QGCXZGGXMSJYDH-OAHLLOKOSA-N 1 1 390.321 4.372 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc3c(Br)cccc23)CC2(CCOCC2)O1 ZINC000571271726 823158608 /nfs/dbraw/zinc/15/86/08/823158608.db2.gz QGCXZGGXMSJYDH-OAHLLOKOSA-N 1 1 390.321 4.372 20 0 GIADMO Cc1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000056492888 823159286 /nfs/dbraw/zinc/15/92/86/823159286.db2.gz CVQSIVHRHDVYRL-UHFFFAOYSA-N 1 1 380.410 4.315 20 0 GIADMO Cc1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000056492888 823159290 /nfs/dbraw/zinc/15/92/90/823159290.db2.gz CVQSIVHRHDVYRL-UHFFFAOYSA-N 1 1 380.410 4.315 20 0 GIADMO C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)Cc1cccc(C(N)=O)c1 ZINC000056514062 823160251 /nfs/dbraw/zinc/16/02/51/823160251.db2.gz AUCUGRXSHGJOGG-UHFFFAOYSA-N 1 1 380.410 4.095 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)ccc1O ZINC000459322808 823161486 /nfs/dbraw/zinc/16/14/86/823161486.db2.gz IBUCMXNADIDILP-LJQANCHMSA-N 1 1 397.519 4.133 20 0 GIADMO O=C(Nc1ccc(SC(F)F)cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056519429 823160808 /nfs/dbraw/zinc/16/08/08/823160808.db2.gz OHYVEVRHRBZAQZ-UHFFFAOYSA-N 1 1 397.516 4.455 20 0 GIADMO COCc1cc(C[N@H+](Cc2ccccc2)[C@@H](C)Cc2ccccc2OC)no1 ZINC000459328442 823162048 /nfs/dbraw/zinc/16/20/48/823162048.db2.gz PVPITHUZJMVBJA-SFHVURJKSA-N 1 1 380.488 4.463 20 0 GIADMO COCc1cc(C[N@@H+](Cc2ccccc2)[C@@H](C)Cc2ccccc2OC)no1 ZINC000459328442 823162052 /nfs/dbraw/zinc/16/20/52/823162052.db2.gz PVPITHUZJMVBJA-SFHVURJKSA-N 1 1 380.488 4.463 20 0 GIADMO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(CC3(CSc4ccccc4)CC3)n1)OC2 ZINC000571328382 823166039 /nfs/dbraw/zinc/16/60/39/823166039.db2.gz ZJJNCYCXFCMZAR-PXNSSMCTSA-N 1 1 385.533 4.110 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(CC3(CSc4ccccc4)CC3)n1)OC2 ZINC000571328382 823166047 /nfs/dbraw/zinc/16/60/47/823166047.db2.gz ZJJNCYCXFCMZAR-PXNSSMCTSA-N 1 1 385.533 4.110 20 0 GIADMO Cc1nccnc1[C@@H](C)[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000187953546 823163169 /nfs/dbraw/zinc/16/31/69/823163169.db2.gz FKEPFAFKTQGQFF-OXQOHEQNSA-N 1 1 375.451 4.366 20 0 GIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCc1cc(C)on1)CC2 ZINC000459342289 823165894 /nfs/dbraw/zinc/16/58/94/823165894.db2.gz DUASRGJPZZNAOD-UHFFFAOYSA-N 1 1 393.487 4.171 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCc1cc(C)on1)CC2 ZINC000459342289 823165897 /nfs/dbraw/zinc/16/58/97/823165897.db2.gz DUASRGJPZZNAOD-UHFFFAOYSA-N 1 1 393.487 4.171 20 0 GIADMO C[C@H](Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000459344202 823166416 /nfs/dbraw/zinc/16/64/16/823166416.db2.gz BBRUJKODQFUTBZ-QFBILLFUSA-N 1 1 377.488 4.303 20 0 GIADMO Cc1sc2nc([C@@H](C)[NH+]3CCC([C@H](O)c4ccccc4)CC3)nc(N)c2c1C ZINC000121346838 823167294 /nfs/dbraw/zinc/16/72/94/823167294.db2.gz SIQZWJFHMMWWPM-AUUYWEPGSA-N 1 1 396.560 4.397 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459360358 823171667 /nfs/dbraw/zinc/17/16/67/823171667.db2.gz FPGHUEFDRQRZKD-FQEVSTJZSA-N 1 1 381.568 4.366 20 0 GIADMO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000571339292 823167618 /nfs/dbraw/zinc/16/76/18/823167618.db2.gz NHCAFJTXNWRUKA-RSWGMMATSA-N 1 1 394.506 4.265 20 0 GIADMO Cc1sc2nc([C@H](C)[NH+]3CCC([C@@H](O)c4ccccc4)CC3)nc(N)c2c1C ZINC000121347317 823167754 /nfs/dbraw/zinc/16/77/54/823167754.db2.gz SIQZWJFHMMWWPM-LIRRHRJNSA-N 1 1 396.560 4.397 20 0 GIADMO COc1cc(C)c(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1OC ZINC000056556759 823168813 /nfs/dbraw/zinc/16/88/13/823168813.db2.gz CPSUUDSHZUMJHU-UHFFFAOYSA-N 1 1 389.540 4.132 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000459361668 823171975 /nfs/dbraw/zinc/17/19/75/823171975.db2.gz PNIZDPQSRIDTBC-KNQAVFIVSA-N 1 1 378.516 4.161 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)CCc2ccc(O)cc2)cc1 ZINC000121387548 823175506 /nfs/dbraw/zinc/17/55/06/823175506.db2.gz PJNUQSPEHRYFFA-SJORKVTESA-N 1 1 392.503 4.268 20 0 GIADMO O=C(N[C@H]1CCC[N@@H+](Cc2cc3cccnc3o2)C1)c1ccc2ccccc2c1 ZINC000571392013 823176290 /nfs/dbraw/zinc/17/62/90/823176290.db2.gz PTECYZHAMJLCJP-NRFANRHFSA-N 1 1 385.467 4.375 20 0 GIADMO COC(=O)c1cccnc1C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000459376012 823176535 /nfs/dbraw/zinc/17/65/35/823176535.db2.gz ZNHQQSOPNSHZRJ-UHFFFAOYSA-N 1 1 376.909 4.278 20 0 GIADMO O=C(CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000571391576 823176567 /nfs/dbraw/zinc/17/65/67/823176567.db2.gz FZPZYXBEDNUASF-SFHVURJKSA-N 1 1 377.960 4.257 20 0 GIADMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCC(=O)NCc1ccccc1Cl)CCC2 ZINC000121402284 823177816 /nfs/dbraw/zinc/17/78/16/823177816.db2.gz FMFJCNHPNAHYLU-QGZVFWFLSA-N 1 1 377.941 4.121 20 0 GIADMO Cc1cc(F)c(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(Cl)c1 ZINC000459379610 823177971 /nfs/dbraw/zinc/17/79/71/823177971.db2.gz SNCVXOGLYJVDAZ-GJZGRUSLSA-N 1 1 377.891 4.086 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCOCc2ccccc2)c1 ZINC000176307864 823178241 /nfs/dbraw/zinc/17/82/41/823178241.db2.gz SNGWDPBYKUTPSX-UHFFFAOYSA-N 1 1 392.503 4.393 20 0 GIADMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459383610 823178862 /nfs/dbraw/zinc/17/88/62/823178862.db2.gz XBROVFIWQAVPSY-KRWDZBQOSA-N 1 1 396.535 4.224 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)C[C@H](C)O1 ZINC000121408520 823179390 /nfs/dbraw/zinc/17/93/90/823179390.db2.gz GWLJUGRVBAIZTK-STQMWFEESA-N 1 1 394.302 4.250 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c(OC)c1 ZINC000121430663 823183195 /nfs/dbraw/zinc/18/31/95/823183195.db2.gz AHDOOPDKFHGNED-ZOBUZTSGSA-N 1 1 386.467 4.048 20 0 GIADMO COC(=O)c1cccnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000459387517 823180275 /nfs/dbraw/zinc/18/02/75/823180275.db2.gz ZILDHJJLALDWHP-KRWDZBQOSA-N 1 1 392.503 4.178 20 0 GIADMO COC(=O)c1cccnc1C[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000459387517 823180278 /nfs/dbraw/zinc/18/02/78/823180278.db2.gz ZILDHJJLALDWHP-KRWDZBQOSA-N 1 1 392.503 4.178 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](c3cccnc3)C2)cc1 ZINC000571436149 823182543 /nfs/dbraw/zinc/18/25/43/823182543.db2.gz QZUDIXUWXYDGNF-XXBNENTESA-N 1 1 392.547 4.155 20 0 GIADMO Cc1cc(F)c(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c(Cl)c1 ZINC000459396654 823182956 /nfs/dbraw/zinc/18/29/56/823182956.db2.gz QUXZGNCINSTTTE-LJQANCHMSA-N 1 1 376.859 4.195 20 0 GIADMO FC1(F)CC[N@@H+](Cc2ccccc2)C[C@@H]1c1nc(-c2n[nH]c3ccccc32)no1 ZINC000571446901 823183773 /nfs/dbraw/zinc/18/37/73/823183773.db2.gz WHRZONJLCKACCY-MRXNPFEDSA-N 1 1 395.413 4.238 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000056626741 823184545 /nfs/dbraw/zinc/18/45/45/823184545.db2.gz WJRYKNPRAJJFRW-UONOGXRCSA-N 1 1 386.462 4.013 20 0 GIADMO CCOC[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000176335283 823185198 /nfs/dbraw/zinc/18/51/98/823185198.db2.gz WFHGURHXIXIUFV-AVRDEDQJSA-N 1 1 382.504 4.124 20 0 GIADMO C[C@@H]1C[C@@H](N[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000188116666 823188880 /nfs/dbraw/zinc/18/88/80/823188880.db2.gz MUVTTWOCRFHKDI-WTNAPCKOSA-N 1 1 378.495 4.281 20 0 GIADMO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(=O)[nH]c(-c2ccccc2)n1)c1ccccc1 ZINC000459411944 823187285 /nfs/dbraw/zinc/18/72/85/823187285.db2.gz OTWXIBJHFPRMGT-FQEVSTJZSA-N 1 1 391.471 4.022 20 0 GIADMO CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1Cl ZINC000188107934 823187655 /nfs/dbraw/zinc/18/76/55/823187655.db2.gz WVFSVULNNXYRGX-APWZRJJASA-N 1 1 376.928 4.103 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)nc2c1 ZINC000121500907 823195372 /nfs/dbraw/zinc/19/53/72/823195372.db2.gz BWFBHHSLWUPYKD-GOSISDBHSA-N 1 1 376.522 4.166 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+]3CCC[C@@H]3C3CCCCC3)nc2c1 ZINC000121500907 823195373 /nfs/dbraw/zinc/19/53/73/823195373.db2.gz BWFBHHSLWUPYKD-GOSISDBHSA-N 1 1 376.522 4.166 20 0 GIADMO O=C(c1ccccc1F)N1CCC[N@@H+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000571484606 823189832 /nfs/dbraw/zinc/18/98/32/823189832.db2.gz AEWQIDUKPRYAJR-UHFFFAOYSA-N 1 1 399.897 4.282 20 0 GIADMO CCOc1ccc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000571486145 823190215 /nfs/dbraw/zinc/19/02/15/823190215.db2.gz QZIWIDHXXVBUKR-NHCUHLMSSA-N 1 1 393.531 4.380 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)c3cc4ccccc4o3)CC2)oc1C ZINC000176365115 823192098 /nfs/dbraw/zinc/19/20/98/823192098.db2.gz JYPHZDMTKLWABC-HNNXBMFYSA-N 1 1 395.503 4.170 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000056663719 823192618 /nfs/dbraw/zinc/19/26/18/823192618.db2.gz LWHKESXSSQCDED-ZWKOTPCHSA-N 1 1 385.508 4.238 20 0 GIADMO CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571504801 823193297 /nfs/dbraw/zinc/19/32/97/823193297.db2.gz VMNCYOODMIRYDF-CVDCTZTESA-N 1 1 392.543 4.410 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1C1CCCC1 ZINC000571524405 823195863 /nfs/dbraw/zinc/19/58/63/823195863.db2.gz BMJJRWUSVFPBPY-DLBZAZTESA-N 1 1 395.425 4.128 20 0 GIADMO CCOc1cc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)cc(Br)c1O ZINC000459457733 823196083 /nfs/dbraw/zinc/19/60/83/823196083.db2.gz YGOQLHHMYXXDPL-OAHLLOKOSA-N 1 1 399.373 4.011 20 0 GIADMO CC(C)Cn1ccnc1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459460546 823196847 /nfs/dbraw/zinc/19/68/47/823196847.db2.gz ISDUHNXTOGWUNA-UHFFFAOYSA-N 1 1 378.524 4.203 20 0 GIADMO CCOCc1ccc(CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000121514635 823197855 /nfs/dbraw/zinc/19/78/55/823197855.db2.gz RQYLZKRIYNSGPP-QGZVFWFLSA-N 1 1 392.503 4.278 20 0 GIADMO COc1c(F)cc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1F ZINC000056716312 823198315 /nfs/dbraw/zinc/19/83/15/823198315.db2.gz GFJPTASWRVTQAF-UHFFFAOYSA-N 1 1 377.435 4.135 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1)CC(F)(F)F ZINC000176398272 823199514 /nfs/dbraw/zinc/19/95/14/823199514.db2.gz GBBSZPYBMZLNSP-MRXNPFEDSA-N 1 1 396.453 4.116 20 0 GIADMO c1c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459475820 823200509 /nfs/dbraw/zinc/20/05/09/823200509.db2.gz XDFZIAFRECVSKG-JOCHJYFZSA-N 1 1 380.536 4.451 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NCc2cn3cccnc3n2)cc1)C[C@@H]1CCCCO1 ZINC000459477882 823200729 /nfs/dbraw/zinc/20/07/29/823200729.db2.gz GMWWQWUWWNUDBM-QFIPXVFZSA-N 1 1 393.535 4.121 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NCc2cn3cccnc3n2)cc1)C[C@H]1CCCCO1 ZINC000459477872 823200790 /nfs/dbraw/zinc/20/07/90/823200790.db2.gz GMWWQWUWWNUDBM-JOCHJYFZSA-N 1 1 393.535 4.121 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1)CC(F)(F)F ZINC000176407753 823201680 /nfs/dbraw/zinc/20/16/80/823201680.db2.gz MYJFWSYUSQSRIV-QGZVFWFLSA-N 1 1 399.501 4.263 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1COc1ccccc1)c1ccco1 ZINC000056748345 823206362 /nfs/dbraw/zinc/20/63/62/823206362.db2.gz NENXHOQLQNBSBO-FQEVSTJZSA-N 1 1 379.460 4.283 20 0 GIADMO C[C@H](C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H](C)CO)c1ccccc1 ZINC000571567947 823201809 /nfs/dbraw/zinc/20/18/09/823201809.db2.gz BYPYSBKTHXRMBD-MOPGFXCFSA-N 1 1 381.495 4.057 20 0 GIADMO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571604686 823206953 /nfs/dbraw/zinc/20/69/53/823206953.db2.gz YGUSXWVTQJXKIH-BOCKYXSRSA-N 1 1 396.556 4.270 20 0 GIADMO C[C@@H](Oc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cn1)c1ccccc1 ZINC000571590433 823204683 /nfs/dbraw/zinc/20/46/83/823204683.db2.gz WZDSXFPHMSNZSB-RTBURBONSA-N 1 1 393.531 4.168 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000176434193 823206736 /nfs/dbraw/zinc/20/67/36/823206736.db2.gz DCJYQSISCKUQGN-DOTOQJQBSA-N 1 1 386.565 4.244 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000459500307 823205115 /nfs/dbraw/zinc/20/51/15/823205115.db2.gz ASUBWGNMYLGGEQ-UHFFFAOYSA-N 1 1 386.496 4.159 20 0 GIADMO CCOc1cc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)cc(Cl)c1O ZINC000459505292 823206320 /nfs/dbraw/zinc/20/63/20/823206320.db2.gz SKZHISBAJXLMFW-UHFFFAOYSA-N 1 1 380.275 4.274 20 0 GIADMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459509433 823207308 /nfs/dbraw/zinc/20/73/08/823207308.db2.gz XWZSVEITBIUHNE-AGHHOFFYSA-N 1 1 384.545 4.023 20 0 GIADMO c1c(C[N@H+]2CCSC3(CCOCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459512598 823208390 /nfs/dbraw/zinc/20/83/90/823208390.db2.gz BGQXBBYVOJNCLT-UHFFFAOYSA-N 1 1 398.576 4.158 20 0 GIADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000124592266 823609209 /nfs/dbraw/zinc/60/92/09/823609209.db2.gz XYJREACJIYEMGD-ABAIWWIYSA-N 1 1 386.721 4.051 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459515731 823208897 /nfs/dbraw/zinc/20/88/97/823208897.db2.gz VAGMCOBRIRFWNQ-UHFFFAOYSA-N 1 1 378.516 4.313 20 0 GIADMO Cc1cc(C(=O)C[NH+]2CCC3(CC2)OCCc2ccccc23)c(C)n1C1CC1 ZINC000459528013 823212307 /nfs/dbraw/zinc/21/23/07/823212307.db2.gz QUSKPYGVZLXIMI-UHFFFAOYSA-N 1 1 378.516 4.187 20 0 GIADMO CCC1(CC)CN(C(=O)Nc2cc(C)nn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571615490 823209427 /nfs/dbraw/zinc/20/94/27/823209427.db2.gz VSEGZVYUVRWKQP-FQEVSTJZSA-N 1 1 395.551 4.292 20 0 GIADMO CC(C)(C)n1ncnc1C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459524093 823211057 /nfs/dbraw/zinc/21/10/57/823211057.db2.gz HLEQWRRURXXPFE-YFHOEESVSA-N 1 1 376.504 4.415 20 0 GIADMO COCc1cc(C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CCCC[C@H]2C)no1 ZINC000459549603 823217951 /nfs/dbraw/zinc/21/79/51/823217951.db2.gz FCEWLNUWFSTSJH-UZLBHIALSA-N 1 1 388.508 4.419 20 0 GIADMO Fc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ncc[nH]2)cc1 ZINC000188288763 823214736 /nfs/dbraw/zinc/21/47/36/823214736.db2.gz QMIPUTCCXNPLJQ-HNAYVOBHSA-N 1 1 388.849 4.299 20 0 GIADMO Cn1cc([C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)nc3)CC2(C)C)cn1 ZINC000571653742 823215000 /nfs/dbraw/zinc/21/50/00/823215000.db2.gz JYFGVETWHSZHAD-OAQYLSRUSA-N 1 1 376.504 4.020 20 0 GIADMO CCc1noc(CC)c1CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000176476757 823216509 /nfs/dbraw/zinc/21/65/09/823216509.db2.gz RRJNAORTBNYBRQ-UHFFFAOYSA-N 1 1 391.515 4.361 20 0 GIADMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459546016 823217232 /nfs/dbraw/zinc/21/72/32/823217232.db2.gz MBWRGUDHSYJBSP-VNRLOHKYSA-N 1 1 392.543 4.074 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000056815369 823218437 /nfs/dbraw/zinc/21/84/37/823218437.db2.gz RXVJJIGODIXSFA-SFHVURJKSA-N 1 1 379.545 4.124 20 0 GIADMO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000121638182 823220138 /nfs/dbraw/zinc/22/01/38/823220138.db2.gz SVGPJWJDLUYMNS-GJZGRUSLSA-N 1 1 395.469 4.425 20 0 GIADMO Brc1ccn2cc(C[NH+]3CCC(OC4CCCC4)CC3)nc2c1 ZINC000571697199 823220445 /nfs/dbraw/zinc/22/04/45/823220445.db2.gz TWPKDARSMYEREP-UHFFFAOYSA-N 1 1 378.314 4.020 20 0 GIADMO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459573516 823223057 /nfs/dbraw/zinc/22/30/57/823223057.db2.gz RBEAPWITXLVCQA-AUSIDOKSSA-N 1 1 397.515 4.061 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1F ZINC000409456941 823223232 /nfs/dbraw/zinc/22/32/32/823223232.db2.gz IRUBXELRTRFWBC-HNNXBMFYSA-N 1 1 383.492 4.425 20 0 GIADMO C[C@H](C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)[C@@H](C)CO)c1ccccc1 ZINC000571710699 823222573 /nfs/dbraw/zinc/22/25/73/823222573.db2.gz DIPVMJMUPPQOMQ-CABCVRRESA-N 1 1 395.330 4.418 20 0 GIADMO C[NH+](C)CCC1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000121628630 823218734 /nfs/dbraw/zinc/21/87/34/823218734.db2.gz YQYAIWSLBWGXNZ-UHFFFAOYSA-N 1 1 392.341 4.268 20 0 GIADMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000459574223 823223389 /nfs/dbraw/zinc/22/33/89/823223389.db2.gz RYTIZLDBOZADOJ-GMAHTHKFSA-N 1 1 394.515 4.002 20 0 GIADMO CC(C)Oc1ccc([C@H](C)NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000056849173 823223750 /nfs/dbraw/zinc/22/37/50/823223750.db2.gz XFPQROYFOPPDKE-SFHVURJKSA-N 1 1 375.557 4.297 20 0 GIADMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000459578531 823224134 /nfs/dbraw/zinc/22/41/34/823224134.db2.gz NQAZGHCQUOMUKW-CQSZACIVSA-N 1 1 383.458 4.351 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000459580327 823224634 /nfs/dbraw/zinc/22/46/34/823224634.db2.gz PDMXSXZIBQBXQQ-WPYKKVEZSA-N 1 1 381.516 4.032 20 0 GIADMO O=C(CC[N@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)Nc1cccnc1 ZINC000459587197 823225816 /nfs/dbraw/zinc/22/58/16/823225816.db2.gz FNQASDVCOZZMEY-SFHVURJKSA-N 1 1 383.883 4.167 20 0 GIADMO O=C(CC[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)Nc1cccnc1 ZINC000459587197 823225820 /nfs/dbraw/zinc/22/58/20/823225820.db2.gz FNQASDVCOZZMEY-SFHVURJKSA-N 1 1 383.883 4.167 20 0 GIADMO CC(C)n1cnc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000409463493 823225836 /nfs/dbraw/zinc/22/58/36/823225836.db2.gz KTVATFIKTNBTMN-HXUWFJFHSA-N 1 1 394.544 4.055 20 0 GIADMO CC(C)n1cnc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000409463493 823225841 /nfs/dbraw/zinc/22/58/41/823225841.db2.gz KTVATFIKTNBTMN-HXUWFJFHSA-N 1 1 394.544 4.055 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cscc3C(F)(F)F)C2)nc1 ZINC000571728609 823226297 /nfs/dbraw/zinc/22/62/97/823226297.db2.gz UKVYKPMYDIFEDB-ZDUSSCGKSA-N 1 1 383.439 4.321 20 0 GIADMO CC(C)C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1cnn(C)c1 ZINC000459600330 823227624 /nfs/dbraw/zinc/22/76/24/823227624.db2.gz SPHORMKBMRKRJA-UHFFFAOYSA-N 1 1 383.323 4.214 20 0 GIADMO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000409474159 823228821 /nfs/dbraw/zinc/22/88/21/823228821.db2.gz IQBFGPJJIUMBFD-MRXNPFEDSA-N 1 1 384.501 4.440 20 0 GIADMO CC[S@](=O)c1ccccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000121692851 823231504 /nfs/dbraw/zinc/23/15/04/823231504.db2.gz RQYLCWQAKOILIY-CBZJRKILSA-N 1 1 384.545 4.298 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3c3cc(OC)ccc3OC)c2C1 ZINC000188390064 823231810 /nfs/dbraw/zinc/23/18/10/823231810.db2.gz OSTGLIIBATZSHE-IEBWSBKVSA-N 1 1 380.488 4.172 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3c3cc(OC)ccc3OC)c2C1 ZINC000188390064 823231812 /nfs/dbraw/zinc/23/18/12/823231812.db2.gz OSTGLIIBATZSHE-IEBWSBKVSA-N 1 1 380.488 4.172 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]3c3cc(OC)ccc3OC)c2C1 ZINC000188390089 823232102 /nfs/dbraw/zinc/23/21/02/823232102.db2.gz OSTGLIIBATZSHE-MJGOQNOKSA-N 1 1 380.488 4.172 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]3c3cc(OC)ccc3OC)c2C1 ZINC000188390089 823232109 /nfs/dbraw/zinc/23/21/09/823232109.db2.gz OSTGLIIBATZSHE-MJGOQNOKSA-N 1 1 380.488 4.172 20 0 GIADMO COCc1ccccc1/C=C(\C)C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000571781371 823233576 /nfs/dbraw/zinc/23/35/76/823233576.db2.gz OUAGCZWNDOJIAG-OBGWFSINSA-N 1 1 377.488 4.461 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459634389 823234157 /nfs/dbraw/zinc/23/41/57/823234157.db2.gz MSRFZZBIKPKKFC-QWHCGFSZSA-N 1 1 377.941 4.155 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC2(CCC2)C1 ZINC000571801771 823236099 /nfs/dbraw/zinc/23/60/99/823236099.db2.gz BWSMVEARHFPEEQ-UHFFFAOYSA-N 1 1 391.353 4.110 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000056984461 823237824 /nfs/dbraw/zinc/23/78/24/823237824.db2.gz FYJNBXFOTMFHHW-GFCCVEGCSA-N 1 1 386.348 4.184 20 0 GIADMO Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459643875 823236781 /nfs/dbraw/zinc/23/67/81/823236781.db2.gz OSWOZAPVVSGIGQ-SFHVURJKSA-N 1 1 379.426 4.119 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)co2)cc1 ZINC000459648235 823238336 /nfs/dbraw/zinc/23/83/36/823238336.db2.gz BZXPQAHRJLOEHG-SJORKVTESA-N 1 1 378.394 4.361 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)co2)cc1 ZINC000459648235 823238342 /nfs/dbraw/zinc/23/83/42/823238342.db2.gz BZXPQAHRJLOEHG-SJORKVTESA-N 1 1 378.394 4.361 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)CC12CCOCC2 ZINC000459649448 823238606 /nfs/dbraw/zinc/23/86/06/823238606.db2.gz LZCLBSHQAUSUMA-INIZCTEOSA-N 1 1 385.455 4.115 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)CC12CCOCC2 ZINC000459651646 823239564 /nfs/dbraw/zinc/23/95/64/823239564.db2.gz PQSOZELLRKOTFK-OAHLLOKOSA-N 1 1 399.482 4.454 20 0 GIADMO CCN(C(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459651496 823239607 /nfs/dbraw/zinc/23/96/07/823239607.db2.gz ZCDIKCQXVHECDL-FUHWJXTLSA-N 1 1 398.469 4.109 20 0 GIADMO COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459653861 823240425 /nfs/dbraw/zinc/24/04/25/823240425.db2.gz DQHSTVQKDZIESB-ZFWWWQNUSA-N 1 1 389.414 4.117 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)CC12CCOCC2 ZINC000459657436 823242119 /nfs/dbraw/zinc/24/21/19/823242119.db2.gz WVKAVEZDTPUSLR-LJQANCHMSA-N 1 1 394.437 4.446 20 0 GIADMO CCCOc1c(Br)cc(CNCC(C)(C)[NH+](C)C)cc1OCC ZINC000409531554 823242988 /nfs/dbraw/zinc/24/29/88/823242988.db2.gz SMUHQCPWNSENKH-UHFFFAOYSA-N 1 1 387.362 4.066 20 0 GIADMO FC(F)(F)c1nnc(N2CCC[N@@H+](Cc3ccc4occc4c3)CC2)s1 ZINC000571842897 823243698 /nfs/dbraw/zinc/24/36/98/823243698.db2.gz YHEAYXLAERDCSC-UHFFFAOYSA-N 1 1 382.411 4.015 20 0 GIADMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000571842801 823243754 /nfs/dbraw/zinc/24/37/54/823243754.db2.gz XXSGNEFDWKQFAF-LJQANCHMSA-N 1 1 389.421 4.203 20 0 GIADMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000571842801 823243757 /nfs/dbraw/zinc/24/37/57/823243757.db2.gz XXSGNEFDWKQFAF-LJQANCHMSA-N 1 1 389.421 4.203 20 0 GIADMO Cc1cc2cc(C[NH2+]Cc3cn(-c4ccccc4Br)nn3)ccc2[nH]1 ZINC000571845567 823244460 /nfs/dbraw/zinc/24/44/60/823244460.db2.gz ULMNFTRNYUPLLX-UHFFFAOYSA-N 1 1 396.292 4.109 20 0 GIADMO CC(C)(C)c1cnc(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000188464616 823244636 /nfs/dbraw/zinc/24/46/36/823244636.db2.gz SDCYDSXSIMYDOF-IHWFROFDSA-N 1 1 395.547 4.217 20 0 GIADMO Cc1sc(CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1C(C)C ZINC000571849501 823245368 /nfs/dbraw/zinc/24/53/68/823245368.db2.gz TXJOTRYLDMWFKM-WMZOPIPTSA-N 1 1 377.598 4.230 20 0 GIADMO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459665610 823245415 /nfs/dbraw/zinc/24/54/15/823245415.db2.gz QRQUNMVGHSXKNC-ZIAGYGMSSA-N 1 1 375.435 4.154 20 0 GIADMO CCCCc1noc([C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459665610 823245418 /nfs/dbraw/zinc/24/54/18/823245418.db2.gz QRQUNMVGHSXKNC-ZIAGYGMSSA-N 1 1 375.435 4.154 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2nccn2Cc2ccccc2)CC12CCOCC2 ZINC000459667060 823246159 /nfs/dbraw/zinc/24/61/59/823246159.db2.gz RQAMSXYUEBKWLA-SFHVURJKSA-N 1 1 393.453 4.112 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)CC12CCOCC2 ZINC000459667060 823246163 /nfs/dbraw/zinc/24/61/63/823246163.db2.gz RQAMSXYUEBKWLA-SFHVURJKSA-N 1 1 393.453 4.112 20 0 GIADMO CCOc1cc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)ccc1OCC(F)(F)F ZINC000459677406 823248752 /nfs/dbraw/zinc/24/87/52/823248752.db2.gz OSLSKDHMBAYVSS-CVEARBPZSA-N 1 1 385.426 4.027 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459680808 823249684 /nfs/dbraw/zinc/24/96/84/823249684.db2.gz RJXYYMXMHFSADU-ZNLUXHQJSA-N 1 1 376.500 4.182 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1csc(C2CCCCC2)n1 ZINC000571888382 823249880 /nfs/dbraw/zinc/24/98/80/823249880.db2.gz NEVUAHLSCRHHEG-UHFFFAOYSA-N 1 1 386.565 4.180 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)cn1 ZINC000057117971 823250627 /nfs/dbraw/zinc/25/06/27/823250627.db2.gz GLWNQGVSYPFHQP-LJQANCHMSA-N 1 1 395.894 4.276 20 0 GIADMO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459692107 823251489 /nfs/dbraw/zinc/25/14/89/823251489.db2.gz YUOQGWAGKHVTEZ-KRWDZBQOSA-N 1 1 385.533 4.061 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459692956 823251869 /nfs/dbraw/zinc/25/18/69/823251869.db2.gz ILVAQVNRVITLNG-FXAWDEMLSA-N 1 1 399.922 4.036 20 0 GIADMO CC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1cccc(Cl)c1 ZINC000057127635 823251958 /nfs/dbraw/zinc/25/19/58/823251958.db2.gz UKLJKDGZGAUNKM-SFHVURJKSA-N 1 1 383.883 4.180 20 0 GIADMO CCc1nc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000176652205 823257676 /nfs/dbraw/zinc/25/76/76/823257676.db2.gz DDPFUUGHUSJUJZ-DEYYWGMASA-N 1 1 392.594 4.210 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)[C@@H]1O ZINC000459706261 823254210 /nfs/dbraw/zinc/25/42/10/823254210.db2.gz QGLCVTFDJQJXDL-HIFRSBDPSA-N 1 1 375.387 4.269 20 0 GIADMO Brc1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)co2)cc1 ZINC000459718763 823256093 /nfs/dbraw/zinc/25/60/93/823256093.db2.gz NDPZUGCJVOJARA-IAGOWNOFSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@H]43)co2)cc1 ZINC000459718763 823256098 /nfs/dbraw/zinc/25/60/98/823256098.db2.gz NDPZUGCJVOJARA-IAGOWNOFSA-N 1 1 389.293 4.105 20 0 GIADMO c1c(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c(-c2ccccn2)nn1C1CCCC1 ZINC000459721562 823256402 /nfs/dbraw/zinc/25/64/02/823256402.db2.gz ORDMAZUZQJKRGA-PZJWPPBQSA-N 1 1 378.520 4.061 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000121818581 823257427 /nfs/dbraw/zinc/25/74/27/823257427.db2.gz VTJSKSLNSKUUDG-UHFFFAOYSA-N 1 1 397.441 4.021 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)s1 ZINC000188531753 823258338 /nfs/dbraw/zinc/25/83/38/823258338.db2.gz JJLTUEDZJPFVHK-UHFFFAOYSA-N 1 1 395.528 4.179 20 0 GIADMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1OCC(F)(F)F ZINC000459744256 823259506 /nfs/dbraw/zinc/25/95/06/823259506.db2.gz DKPDEWCYJQKAAY-DLBZAZTESA-N 1 1 387.442 4.009 20 0 GIADMO C[C@@H]([NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccn(C)n1 ZINC000459749344 823260028 /nfs/dbraw/zinc/26/00/28/823260028.db2.gz KLSZQMNWQJBQKP-AUUYWEPGSA-N 1 1 385.309 4.212 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000409606658 823260367 /nfs/dbraw/zinc/26/03/67/823260367.db2.gz FYXAAUGARYJMFR-MRXNPFEDSA-N 1 1 387.911 4.191 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000409606658 823260371 /nfs/dbraw/zinc/26/03/71/823260371.db2.gz FYXAAUGARYJMFR-MRXNPFEDSA-N 1 1 387.911 4.191 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2ccnc3c(Br)cccc23)C[C@H]1C1CCCC1 ZINC000459750667 823260389 /nfs/dbraw/zinc/26/03/89/823260389.db2.gz JLOWLQIIWYQXSR-PKOBYXMFSA-N 1 1 389.337 4.370 20 0 GIADMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000571961352 823261002 /nfs/dbraw/zinc/26/10/02/823261002.db2.gz TWJRZDHSCZZOSO-KBXCAEBGSA-N 1 1 396.350 4.053 20 0 GIADMO C[C@H]1CCN(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000409616003 823262640 /nfs/dbraw/zinc/26/26/40/823262640.db2.gz BTIIPGUXFSRXOB-PKOBYXMFSA-N 1 1 379.495 4.118 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccn(C)n1 ZINC000459770562 823262855 /nfs/dbraw/zinc/26/28/55/823262855.db2.gz YRUYBJJVAVAXEN-QMTHXVAHSA-N 1 1 381.320 4.143 20 0 GIADMO CC(C)c1cccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000409625205 823265232 /nfs/dbraw/zinc/26/52/32/823265232.db2.gz ASFYZTWTXDKFDL-GOSISDBHSA-N 1 1 381.520 4.352 20 0 GIADMO CC(C)c1cccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000409625205 823265237 /nfs/dbraw/zinc/26/52/37/823265237.db2.gz ASFYZTWTXDKFDL-GOSISDBHSA-N 1 1 381.520 4.352 20 0 GIADMO C=CC(=O)NCc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000057216375 823265710 /nfs/dbraw/zinc/26/57/10/823265710.db2.gz MZZDVISYXSZHHV-SFHVURJKSA-N 1 1 391.515 4.116 20 0 GIADMO CCCOc1ccc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1OCCC ZINC000057221938 823266621 /nfs/dbraw/zinc/26/66/21/823266621.db2.gz OMHAZMQXLROOTA-UHFFFAOYSA-N 1 1 394.475 4.406 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2(c3cccc(F)c3)CCCCC2)cn1 ZINC000057235740 823268655 /nfs/dbraw/zinc/26/86/55/823268655.db2.gz OFKKYHJTBUGWEG-UHFFFAOYSA-N 1 1 392.478 4.233 20 0 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817894981 /nfs/dbraw/zinc/89/49/81/817894981.db2.gz NSOUMUNCEIHKJF-UHFFFAOYSA-N 1 1 386.801 4.308 20 0 GIADMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000007685601 817894993 /nfs/dbraw/zinc/89/49/93/817894993.db2.gz NSOUMUNCEIHKJF-UHFFFAOYSA-N 1 1 386.801 4.308 20 0 GIADMO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000122035267 823296679 /nfs/dbraw/zinc/29/66/79/823296679.db2.gz ZCHDMKMDBSIZJZ-VCBZYWHSSA-N 1 1 395.469 4.282 20 0 GIADMO COc1ccc(OC(F)F)c(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000572208647 823300473 /nfs/dbraw/zinc/30/04/73/823300473.db2.gz XUVKCEBHQUCDPX-UHFFFAOYSA-N 1 1 377.309 4.311 20 0 GIADMO CN(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460164472 823302946 /nfs/dbraw/zinc/30/29/46/823302946.db2.gz BSBHCHSAOFEORN-KDURUIRLSA-N 1 1 397.485 4.197 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)CCc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000409751167 823298874 /nfs/dbraw/zinc/29/88/74/823298874.db2.gz WUNYGQOUARBPEF-UHFFFAOYSA-N 1 1 384.332 4.399 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)CCc3ccc(Cl)c(Cl)c3)sc2C1 ZINC000409751167 823298878 /nfs/dbraw/zinc/29/88/78/823298878.db2.gz WUNYGQOUARBPEF-UHFFFAOYSA-N 1 1 384.332 4.399 20 0 GIADMO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000572205542 823299871 /nfs/dbraw/zinc/29/98/71/823299871.db2.gz NZFKBMWMHCCMKM-CVEARBPZSA-N 1 1 375.476 4.209 20 0 GIADMO C[C@@H](c1nn(CN(C)[C@@H](C)C2(C)CC2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000176829237 823303951 /nfs/dbraw/zinc/30/39/51/823303951.db2.gz STNAAMIHZFSDPT-GJZGRUSLSA-N 1 1 391.560 4.243 20 0 GIADMO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000188784703 823305159 /nfs/dbraw/zinc/30/51/59/823305159.db2.gz QURMJUGAAAFVSW-HOTGVXAUSA-N 1 1 388.533 4.218 20 0 GIADMO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008261942 818026324 /nfs/dbraw/zinc/02/63/24/818026324.db2.gz VXEMGGVMNZWDNG-OAHLLOKOSA-N 1 1 381.501 4.123 20 0 GIADMO COc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 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C/C=C/C=C/C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000122303547 823335168 /nfs/dbraw/zinc/33/51/68/823335168.db2.gz ONESRYGCVQLXFW-LJIKRCSCSA-N 1 1 392.499 4.333 20 0 GIADMO C/C=C/C=C/C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000122303547 823335173 /nfs/dbraw/zinc/33/51/73/823335173.db2.gz ONESRYGCVQLXFW-LJIKRCSCSA-N 1 1 392.499 4.333 20 0 GIADMO CCC(C)(C)NC(=O)C[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000016347463 818426818 /nfs/dbraw/zinc/42/68/18/818426818.db2.gz SIZSVTOMGVONBM-UHFFFAOYSA-N 1 1 384.520 4.011 20 0 GIADMO CCC(C)(C)NC(=O)C[N@@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000016347463 818426825 /nfs/dbraw/zinc/42/68/25/818426825.db2.gz SIZSVTOMGVONBM-UHFFFAOYSA-N 1 1 384.520 4.011 20 0 GIADMO COc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000016347732 818427648 /nfs/dbraw/zinc/42/76/48/818427648.db2.gz CJRXJFRHEQRXOA-QFIPXVFZSA-N 1 1 377.484 4.440 20 0 GIADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409884390 823335917 /nfs/dbraw/zinc/33/59/17/823335917.db2.gz SMKMWFILIFEIGX-KYNGSXCRSA-N 1 1 376.422 4.371 20 0 GIADMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000572417918 823335946 /nfs/dbraw/zinc/33/59/46/823335946.db2.gz QGRUAQOSRKWYCZ-GFCCVEGCSA-N 1 1 376.220 4.260 20 0 GIADMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000572417918 823335949 /nfs/dbraw/zinc/33/59/49/823335949.db2.gz QGRUAQOSRKWYCZ-GFCCVEGCSA-N 1 1 376.220 4.260 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(C(C)C)cc2)c1 ZINC000016376030 818430618 /nfs/dbraw/zinc/43/06/18/818430618.db2.gz FJOJRDXCMYIYIS-QGZVFWFLSA-N 1 1 384.520 4.136 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)cc2)c1 ZINC000016376030 818430623 /nfs/dbraw/zinc/43/06/23/818430623.db2.gz FJOJRDXCMYIYIS-QGZVFWFLSA-N 1 1 384.520 4.136 20 0 GIADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000409884388 823335990 /nfs/dbraw/zinc/33/59/90/823335990.db2.gz SMKMWFILIFEIGX-JVPBZIDWSA-N 1 1 376.422 4.371 20 0 GIADMO CCC[N@@H+](CCOc1ccc(C)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000016390046 818434000 /nfs/dbraw/zinc/43/40/00/818434000.db2.gz DEWZMAWCJCGSMK-UHFFFAOYSA-N 1 1 380.410 4.142 20 0 GIADMO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(SC)c(OC)c2)[C@H](C)C1 ZINC000122314220 823336746 /nfs/dbraw/zinc/33/67/46/823336746.db2.gz GMCRPYQFVJBIBY-AOIWGVFYSA-N 1 1 380.598 4.205 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(SC)c(OC)c2)[C@H](C)C1 ZINC000122314220 823336754 /nfs/dbraw/zinc/33/67/54/823336754.db2.gz GMCRPYQFVJBIBY-AOIWGVFYSA-N 1 1 380.598 4.205 20 0 GIADMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)[C@H](C)C1 ZINC000122314220 823336759 /nfs/dbraw/zinc/33/67/59/823336759.db2.gz GMCRPYQFVJBIBY-AOIWGVFYSA-N 1 1 380.598 4.205 20 0 GIADMO Cc1cc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1NC(=O)c1ccco1 ZINC000057821802 823337872 /nfs/dbraw/zinc/33/78/72/823337872.db2.gz QSGKLOSVZLFCIV-DOTOQJQBSA-N 1 1 398.507 4.082 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[N@@H+](C)Cc3cccc(F)c3)cc(=O)oc2c1 ZINC000016585279 818455941 /nfs/dbraw/zinc/45/59/41/818455941.db2.gz GIYGYBQPFHENAV-UHFFFAOYSA-N 1 1 384.407 4.133 20 0 GIADMO c1csc(-c2nc3ccccc3c(N3CC[NH+](Cc4ccccn4)CC3)n2)c1 ZINC000016738449 818471706 /nfs/dbraw/zinc/47/17/06/818471706.db2.gz DFJAHSTZIHXXKL-UHFFFAOYSA-N 1 1 387.512 4.076 20 0 GIADMO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](O)C2)nc2ccccc2c1-c1ccccc1 ZINC000057834226 823339494 /nfs/dbraw/zinc/33/94/94/823339494.db2.gz VMVKGTRSDPNTSE-GOSISDBHSA-N 1 1 390.483 4.035 20 0 GIADMO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](O)C2)nc2ccccc2c1-c1ccccc1 ZINC000057834226 823339499 /nfs/dbraw/zinc/33/94/99/823339499.db2.gz VMVKGTRSDPNTSE-GOSISDBHSA-N 1 1 390.483 4.035 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000572446339 823340676 /nfs/dbraw/zinc/34/06/76/823340676.db2.gz QCVNOWBNDFIDPO-XMMPIXPASA-N 1 1 397.515 4.333 20 0 GIADMO COCC[N@H+](CC(=O)N1CC[C@@H](C)Sc2ccccc21)Cc1ccccc1 ZINC000057849926 823341162 /nfs/dbraw/zinc/34/11/62/823341162.db2.gz UGFIDKSYWJRMRN-GOSISDBHSA-N 1 1 384.545 4.053 20 0 GIADMO COCC[N@@H+](CC(=O)N1CC[C@@H](C)Sc2ccccc21)Cc1ccccc1 ZINC000057849926 823341165 /nfs/dbraw/zinc/34/11/65/823341165.db2.gz UGFIDKSYWJRMRN-GOSISDBHSA-N 1 1 384.545 4.053 20 0 GIADMO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000017309766 818507902 /nfs/dbraw/zinc/50/79/02/818507902.db2.gz JPKFIDCESZWMMB-UHFFFAOYSA-N 1 1 383.879 4.469 20 0 GIADMO CC(C)n1cnc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000409907197 823341352 /nfs/dbraw/zinc/34/13/52/823341352.db2.gz KYTSWJJPLAKOAF-UHFFFAOYSA-N 1 1 395.334 4.165 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000057851857 823341609 /nfs/dbraw/zinc/34/16/09/823341609.db2.gz ATQDKFKXAINLKR-UONOGXRCSA-N 1 1 393.300 4.286 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000057851857 823341616 /nfs/dbraw/zinc/34/16/16/823341616.db2.gz ATQDKFKXAINLKR-UONOGXRCSA-N 1 1 393.300 4.286 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000176980999 823341615 /nfs/dbraw/zinc/34/16/15/823341615.db2.gz DNMCSZBFRVRAFJ-INIZCTEOSA-N 1 1 390.528 4.229 20 0 GIADMO Fc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1Cl ZINC000017517719 818517914 /nfs/dbraw/zinc/51/79/14/818517914.db2.gz GVLZDHIBRNDULS-UHFFFAOYSA-N 1 1 377.916 4.384 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000572451469 823342504 /nfs/dbraw/zinc/34/25/04/823342504.db2.gz UEFUWXMANNYOTL-WDYCEAGBSA-N 1 1 399.535 4.423 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000572451469 823342511 /nfs/dbraw/zinc/34/25/11/823342511.db2.gz UEFUWXMANNYOTL-WDYCEAGBSA-N 1 1 399.535 4.423 20 0 GIADMO Cc1nc(-c2ccccc2)sc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000018232724 818558906 /nfs/dbraw/zinc/55/89/06/818558906.db2.gz DQVKCPNHOFMMSM-UHFFFAOYSA-N 1 1 379.529 4.370 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ncc(-c2ccccc2)n1C ZINC000572474551 823346547 /nfs/dbraw/zinc/34/65/47/823346547.db2.gz ISEPPWGJMVTPPS-AWEZNQCLSA-N 1 1 390.409 4.274 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000572484517 823348107 /nfs/dbraw/zinc/34/81/07/823348107.db2.gz JBTCRRBLUOQEQT-IBGZPJMESA-N 1 1 399.501 4.484 20 0 GIADMO O=C(CC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1)N1CCc2sccc2C1 ZINC000572488400 823348454 /nfs/dbraw/zinc/34/84/54/823348454.db2.gz GLDAJZHAZXEXCB-HXUWFJFHSA-N 1 1 392.927 4.247 20 0 GIADMO O=C(CC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1)N1CCc2sccc2C1 ZINC000572488400 823348462 /nfs/dbraw/zinc/34/84/62/823348462.db2.gz GLDAJZHAZXEXCB-HXUWFJFHSA-N 1 1 392.927 4.247 20 0 GIADMO CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000177026289 823352798 /nfs/dbraw/zinc/35/27/98/823352798.db2.gz CUKDXWMYKGWCKS-FQEVSTJZSA-N 1 1 384.545 4.499 20 0 GIADMO COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)c1OC ZINC000572519095 823353011 /nfs/dbraw/zinc/35/30/11/823353011.db2.gz YRUKJLOSMQXLPI-FRIKZZABSA-N 1 1 380.532 4.297 20 0 GIADMO COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)c1OC ZINC000572519095 823353017 /nfs/dbraw/zinc/35/30/17/823353017.db2.gz YRUKJLOSMQXLPI-FRIKZZABSA-N 1 1 380.532 4.297 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000020935789 818641742 /nfs/dbraw/zinc/64/17/42/818641742.db2.gz DXDVVAANAZYSJU-HXUWFJFHSA-N 1 1 392.503 4.039 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000020955978 818642580 /nfs/dbraw/zinc/64/25/80/818642580.db2.gz XSPFYZWXORUCEF-SFHVURJKSA-N 1 1 390.430 4.462 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000020955978 818642584 /nfs/dbraw/zinc/64/25/84/818642584.db2.gz XSPFYZWXORUCEF-SFHVURJKSA-N 1 1 390.430 4.462 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)[C@H](C)C1 ZINC000122407946 823350263 /nfs/dbraw/zinc/35/02/63/823350263.db2.gz HCDHLSPEEDCLCA-FOIQADDNSA-N 1 1 392.503 4.001 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CCn3ccc4ccccc43)C2)s1 ZINC000572502821 823350616 /nfs/dbraw/zinc/35/06/16/823350616.db2.gz HAKZFSFHDLMLLS-IBGZPJMESA-N 1 1 395.572 4.382 20 0 GIADMO CCCCCOc1cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)ccc1OC ZINC000057961349 823350762 /nfs/dbraw/zinc/35/07/62/823350762.db2.gz NTGDMEAHDOJUAI-QGZVFWFLSA-N 1 1 386.540 4.433 20 0 GIADMO COc1ccc(C[N@@H+](CCC(=O)Nc2cc(N)ccc2F)[C@@H](C)C2CC2)cc1 ZINC000177020904 823350872 /nfs/dbraw/zinc/35/08/72/823350872.db2.gz CYQWTFMMCDRQEM-HNNXBMFYSA-N 1 1 385.483 4.046 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cnn(-c2ccccc2Cl)c1C(C)C ZINC000189066626 823351415 /nfs/dbraw/zinc/35/14/15/823351415.db2.gz CZDAAGLLDHVBAS-OAHLLOKOSA-N 1 1 399.926 4.220 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000021556798 818704132 /nfs/dbraw/zinc/70/41/32/818704132.db2.gz FUEBVAJPJUTEAW-HXUWFJFHSA-N 1 1 396.922 4.175 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)[NH+](C)C ZINC000058088352 823361210 /nfs/dbraw/zinc/36/12/10/823361210.db2.gz FBFNDTRDCMXZTM-NRFANRHFSA-N 1 1 397.519 4.441 20 0 GIADMO CN(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460341852 823358614 /nfs/dbraw/zinc/35/86/14/823358614.db2.gz YJKWVMKTNOTMGX-CEXWTWQISA-N 1 1 397.485 4.414 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccccc1Cl ZINC000572550042 823358833 /nfs/dbraw/zinc/35/88/33/823358833.db2.gz TWZBXSXMBJYJEZ-QGZVFWFLSA-N 1 1 386.970 4.139 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189113925 823359846 /nfs/dbraw/zinc/35/98/46/823359846.db2.gz QWESHULMUJZZND-VXGBXAGGSA-N 1 1 384.465 4.057 20 0 GIADMO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000460346500 823359845 /nfs/dbraw/zinc/35/98/45/823359845.db2.gz HBNLQJWYSBTUBL-GMTAPVOTSA-N 1 1 386.279 4.282 20 0 GIADMO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000460346508 823359933 /nfs/dbraw/zinc/35/99/33/823359933.db2.gz HBNLQJWYSBTUBL-VWYCJHECSA-N 1 1 386.279 4.282 20 0 GIADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCCOc1cccc(F)c1 ZINC000058073417 823360092 /nfs/dbraw/zinc/36/00/92/823360092.db2.gz QTBXJTPPEXCMBY-IRLDBZIGSA-N 1 1 382.479 4.128 20 0 GIADMO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(Br)c1OC ZINC000460348788 823360671 /nfs/dbraw/zinc/36/06/71/823360671.db2.gz GIWLVOYDLNCYAU-CJNGLKHVSA-N 1 1 391.309 4.444 20 0 GIADMO COc1ccc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c(Br)c1OC ZINC000460348788 823360679 /nfs/dbraw/zinc/36/06/79/823360679.db2.gz GIWLVOYDLNCYAU-CJNGLKHVSA-N 1 1 391.309 4.444 20 0 GIADMO COC(=O)c1cccc(C[N@@H+](CCc2ccccc2)Cc2ccc(C)s2)n1 ZINC000572569290 823362824 /nfs/dbraw/zinc/36/28/24/823362824.db2.gz GVXCDKOEIGZKBK-UHFFFAOYSA-N 1 1 380.513 4.483 20 0 GIADMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177065905 823363340 /nfs/dbraw/zinc/36/33/40/823363340.db2.gz UQWZYTFEJUHKRJ-PVPMGCCUSA-N 1 1 390.574 4.391 20 0 GIADMO CCCC[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000409987633 823363535 /nfs/dbraw/zinc/36/35/35/823363535.db2.gz SBRYMXFGRIUENX-HNNXBMFYSA-N 1 1 381.358 4.356 20 0 GIADMO CCOCc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000177067276 823363523 /nfs/dbraw/zinc/36/35/23/823363523.db2.gz XRNQRNDJBFNMJZ-GCJKJVERSA-N 1 1 381.520 4.398 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCC2CCOCC2)cc1 ZINC000122509500 823364892 /nfs/dbraw/zinc/36/48/92/823364892.db2.gz GPNZAMSTZWBMOI-IBGZPJMESA-N 1 1 387.568 4.019 20 0 GIADMO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c[nH]nc1-c1ccsc1 ZINC000189149185 823365427 /nfs/dbraw/zinc/36/54/27/823365427.db2.gz YSVBEFIGUURRRD-UHFFFAOYSA-N 1 1 398.557 4.248 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000177077855 823365623 /nfs/dbraw/zinc/36/56/23/823365623.db2.gz AEOKPTKWMROYNJ-KRWDZBQOSA-N 1 1 386.471 4.349 20 0 GIADMO COc1cc(Br)ccc1[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000189152014 823365944 /nfs/dbraw/zinc/36/59/44/823365944.db2.gz GHQVPLFTZOQRBP-ZDUSSCGKSA-N 1 1 394.313 4.045 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1cc2ccccc2s1)[NH+]1CCCC1 ZINC000022680152 818842424 /nfs/dbraw/zinc/84/24/24/818842424.db2.gz QAKZIXGJOQUQDE-GOSISDBHSA-N 1 1 380.513 4.477 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)c2nc3c(s2)CCC3)cc1 ZINC000572602902 823368139 /nfs/dbraw/zinc/36/81/39/823368139.db2.gz ZOEBNKGPOCMWDD-UONOGXRCSA-N 1 1 395.532 4.247 20 0 GIADMO CC(C)c1ccc(C[NH+]2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000022776301 818859547 /nfs/dbraw/zinc/85/95/47/818859547.db2.gz PIKZTGMVEYIFSK-UHFFFAOYSA-N 1 1 376.504 4.178 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc4c(c3)CCC4)c2C1 ZINC000189171527 823369795 /nfs/dbraw/zinc/36/97/95/823369795.db2.gz KGBCJBQZNYRGEV-MRXNPFEDSA-N 1 1 391.515 4.113 20 0 GIADMO COCCCOC1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000122542952 823370003 /nfs/dbraw/zinc/37/00/03/823370003.db2.gz SVRSLKLSZXLPKO-UHFFFAOYSA-N 1 1 394.968 4.405 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000022911443 818875522 /nfs/dbraw/zinc/87/55/22/818875522.db2.gz OEXDAPYLTKFAHM-CQSZACIVSA-N 1 1 379.489 4.485 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000022911443 818875529 /nfs/dbraw/zinc/87/55/29/818875529.db2.gz OEXDAPYLTKFAHM-CQSZACIVSA-N 1 1 379.489 4.485 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC(C)(C)c2cccc(C)c2)cc1F ZINC000058239159 823370841 /nfs/dbraw/zinc/37/08/41/823370841.db2.gz RXILQLIRGWJDGW-UHFFFAOYSA-N 1 1 394.494 4.405 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=S)Nc3ccc(OC(F)F)cc3)CC2)c1 ZINC000023105996 818898475 /nfs/dbraw/zinc/89/84/75/818898475.db2.gz DODTWAFVAMZRPA-UHFFFAOYSA-N 1 1 391.487 4.111 20 0 GIADMO CC(C)c1c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1-c1ccccc1Cl ZINC000189187154 823372231 /nfs/dbraw/zinc/37/22/31/823372231.db2.gz BGWNMVYXQMOEMM-GJZGRUSLSA-N 1 1 386.927 4.004 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000189187088 823372357 /nfs/dbraw/zinc/37/23/57/823372357.db2.gz FKPKTFNABDSQGO-IAQYHMDHSA-N 1 1 393.409 4.024 20 0 GIADMO Cc1cccc(Oc2cc(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccn2)c1C ZINC000460392899 823374231 /nfs/dbraw/zinc/37/42/31/823374231.db2.gz LWVWYIRVVKQSQW-KRWDZBQOSA-N 1 1 384.524 4.019 20 0 GIADMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000023354623 818927003 /nfs/dbraw/zinc/92/70/03/818927003.db2.gz POWSHSQUBJQMHI-UHFFFAOYSA-N 1 1 392.330 4.140 20 0 GIADMO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(Cl)c2)c(OC)c1 ZINC000023409595 818935462 /nfs/dbraw/zinc/93/54/62/818935462.db2.gz DOWFFKDBTBOXOA-OQBYNLHGSA-N 1 1 375.896 4.253 20 0 GIADMO CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000122572452 823374887 /nfs/dbraw/zinc/37/48/87/823374887.db2.gz ABMKDUSXGVLULF-UHFFFAOYSA-N 1 1 394.302 4.412 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000122572452 823374891 /nfs/dbraw/zinc/37/48/91/823374891.db2.gz ABMKDUSXGVLULF-UHFFFAOYSA-N 1 1 394.302 4.412 20 0 GIADMO Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC([C@H]3CCCO3)CC2)cs1 ZINC000189205490 823375373 /nfs/dbraw/zinc/37/53/73/823375373.db2.gz UVDHAHYBHQRKAX-HXUWFJFHSA-N 1 1 399.560 4.024 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000058296241 823375781 /nfs/dbraw/zinc/37/57/81/823375781.db2.gz UYCIMFIPZLMZOB-GOSISDBHSA-N 1 1 396.506 4.299 20 0 GIADMO Cc1ccccc1-c1nnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1C1CC1 ZINC000572654501 823376373 /nfs/dbraw/zinc/37/63/73/823376373.db2.gz FGQZRIFGCKODBG-UWJYYQICSA-N 1 1 377.536 4.042 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc(F)c(F)cc1F ZINC000572655414 823376497 /nfs/dbraw/zinc/37/64/97/823376497.db2.gz ASCLQLYEOLDFED-INIZCTEOSA-N 1 1 376.422 4.136 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000023638513 818969323 /nfs/dbraw/zinc/96/93/23/818969323.db2.gz XFEYYMHLHZQMEN-UHFFFAOYSA-N 1 1 398.597 4.432 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000122585088 823377066 /nfs/dbraw/zinc/37/70/66/823377066.db2.gz RJSHHLMKERFYMY-MRXNPFEDSA-N 1 1 378.607 4.406 20 0 GIADMO COc1ccccc1Oc1ccc(CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000572658288 823377397 /nfs/dbraw/zinc/37/73/97/823377397.db2.gz JCRMQZZOIDUATD-QGZVFWFLSA-N 1 1 385.508 4.015 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC000412055955 823624608 /nfs/dbraw/zinc/62/46/08/823624608.db2.gz NBUCCAROBRCLKI-HNNXBMFYSA-N 1 1 385.733 4.079 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC000412055955 823624609 /nfs/dbraw/zinc/62/46/09/823624609.db2.gz NBUCCAROBRCLKI-HNNXBMFYSA-N 1 1 385.733 4.079 20 0 GIADMO CSCC[C@@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1nnc2ccccn21 ZINC000189236543 823379889 /nfs/dbraw/zinc/37/98/89/823379889.db2.gz BJFRRAYMDKJGHI-LJQANCHMSA-N 1 1 377.517 4.170 20 0 GIADMO CC(=O)c1ccc(C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)s1 ZINC000410052581 823380700 /nfs/dbraw/zinc/38/07/00/823380700.db2.gz JXCYJOXRZVTHCV-FQEVSTJZSA-N 1 1 384.545 4.154 20 0 GIADMO CC(=O)c1ccc(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)s1 ZINC000410052581 823380704 /nfs/dbraw/zinc/38/07/04/823380704.db2.gz JXCYJOXRZVTHCV-FQEVSTJZSA-N 1 1 384.545 4.154 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000177143664 823381815 /nfs/dbraw/zinc/38/18/15/823381815.db2.gz LPFXDRGCCMDMFN-IBGZPJMESA-N 1 1 386.923 4.229 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000177143664 823381820 /nfs/dbraw/zinc/38/18/20/823381820.db2.gz LPFXDRGCCMDMFN-IBGZPJMESA-N 1 1 386.923 4.229 20 0 GIADMO CCc1noc(-c2ccc(C)c(NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)c2)n1 ZINC000177150526 823383703 /nfs/dbraw/zinc/38/37/03/823383703.db2.gz WEMNLULHNGLKMD-KRWDZBQOSA-N 1 1 399.539 4.384 20 0 GIADMO CCc1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc(-c2ccccn2)n1 ZINC000572701065 823385637 /nfs/dbraw/zinc/38/56/37/823385637.db2.gz ZSKPLRIJWVFUFJ-UHFFFAOYSA-N 1 1 388.519 4.018 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCC2CCC(F)(F)CC2)[C@@H]1c1cccs1 ZINC000410089107 823387501 /nfs/dbraw/zinc/38/75/01/823387501.db2.gz RJCRQLXYZPTEDF-NVXWUHKLSA-N 1 1 385.524 4.256 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(O)ccc1C(F)(F)F ZINC000189290629 823388298 /nfs/dbraw/zinc/38/82/98/823388298.db2.gz OOORMZXWKIFCCI-ZDUSSCGKSA-N 1 1 398.450 4.115 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000177165295 823388540 /nfs/dbraw/zinc/38/85/40/823388540.db2.gz CEUMAIVSHHMZSH-LJQANCHMSA-N 1 1 399.560 4.264 20 0 GIADMO CC[C@@H]([NH2+]Cc1cc(F)ccc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000189323226 823393880 /nfs/dbraw/zinc/39/38/80/823393880.db2.gz RADDJFDZPKXHIY-GOSISDBHSA-N 1 1 378.875 4.187 20 0 GIADMO CC[C@H]([NH2+]Cc1cc(F)ccc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000189323203 823394020 /nfs/dbraw/zinc/39/40/20/823394020.db2.gz RADDJFDZPKXHIY-SFHVURJKSA-N 1 1 378.875 4.187 20 0 GIADMO CCCN(C(=O)c1cc(C)c(CC)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000122681617 823393342 /nfs/dbraw/zinc/39/33/42/823393342.db2.gz HGIDDBVLABMCJK-UHFFFAOYSA-N 1 1 384.524 4.078 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CCCC(F)(F)C1 ZINC000410095142 823389833 /nfs/dbraw/zinc/38/98/33/823389833.db2.gz PGCMJDLRKOMHIC-VDGAXYAQSA-N 1 1 393.522 4.274 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CCCC(F)(F)C1 ZINC000410095142 823389839 /nfs/dbraw/zinc/38/98/39/823389839.db2.gz PGCMJDLRKOMHIC-VDGAXYAQSA-N 1 1 393.522 4.274 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CO)c2cccc(Cl)c2F)cc1)C(C)C ZINC000410098659 823390987 /nfs/dbraw/zinc/39/09/87/823390987.db2.gz GJDHCXVAZFKVLV-IBGZPJMESA-N 1 1 392.902 4.173 20 0 GIADMO CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000410112510 823395243 /nfs/dbraw/zinc/39/52/43/823395243.db2.gz DWDFKPNHCLWUGL-HUUCEWRRSA-N 1 1 389.590 4.277 20 0 GIADMO CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000410112510 823395250 /nfs/dbraw/zinc/39/52/50/823395250.db2.gz DWDFKPNHCLWUGL-HUUCEWRRSA-N 1 1 389.590 4.277 20 0 GIADMO CSc1ccccc1[C@@H](C)NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000410112511 823395325 /nfs/dbraw/zinc/39/53/25/823395325.db2.gz DWDFKPNHCLWUGL-LSDHHAIUSA-N 1 1 389.590 4.277 20 0 GIADMO CSc1ccccc1[C@@H](C)NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000410112511 823395332 /nfs/dbraw/zinc/39/53/32/823395332.db2.gz DWDFKPNHCLWUGL-LSDHHAIUSA-N 1 1 389.590 4.277 20 0 GIADMO COc1cc(C[NH2+]Cc2cc(OC)c(OC)cc2F)ccc1OC1CCCC1 ZINC000572771434 823395916 /nfs/dbraw/zinc/39/59/16/823395916.db2.gz HVKQPZBUAMWYLC-UHFFFAOYSA-N 1 1 389.467 4.463 20 0 GIADMO O=C(c1ccoc1C(F)(F)F)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572772300 823396216 /nfs/dbraw/zinc/39/62/16/823396216.db2.gz QXCDZDLVLYIDBD-FQEVSTJZSA-N 1 1 392.421 4.427 20 0 GIADMO COCCCOC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000122695558 823396474 /nfs/dbraw/zinc/39/64/74/823396474.db2.gz YUCXBKUHAOCPRW-UHFFFAOYSA-N 1 1 376.722 4.120 20 0 GIADMO O=C(NC1CC1)[C@@H]([NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccccc1 ZINC000058473105 823396795 /nfs/dbraw/zinc/39/67/95/823396795.db2.gz ZEGPSPSUOYDGEH-UXHICEINSA-N 1 1 386.442 4.275 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cc(N)ccc1F)C1c2ccccc2-c2ccccc21 ZINC000177208797 823399586 /nfs/dbraw/zinc/39/95/86/823399586.db2.gz QDIJGHNFSCPGHU-UHFFFAOYSA-N 1 1 375.447 4.438 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000177213632 823401144 /nfs/dbraw/zinc/40/11/44/823401144.db2.gz NERZFEQBHVKWAY-YJBOKZPZSA-N 1 1 376.504 4.102 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000177213679 823401179 /nfs/dbraw/zinc/40/11/79/823401179.db2.gz NERZFEQBHVKWAY-CRAIPNDOSA-N 1 1 376.504 4.102 20 0 GIADMO COc1cc(C[N@@H+](C)C[C@H](O)COCc2ccccc2Cl)ccc1SC ZINC000058528324 823404229 /nfs/dbraw/zinc/40/42/29/823404229.db2.gz SZHYYYBQHWGYOG-KRWDZBQOSA-N 1 1 395.952 4.080 20 0 GIADMO Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1Cl ZINC000572818090 823404919 /nfs/dbraw/zinc/40/49/19/823404919.db2.gz VTMGKJXGPJCPDK-SFHVURJKSA-N 1 1 387.911 4.061 20 0 GIADMO CCCc1nnc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000058534129 823405491 /nfs/dbraw/zinc/40/54/91/823405491.db2.gz XIQNFEJDURYJRZ-OAHLLOKOSA-N 1 1 387.553 4.187 20 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Cc1cc(C(=O)CCC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c(C)s1 ZINC000029161432 820402932 /nfs/dbraw/zinc/40/29/32/820402932.db2.gz UFBDWIZUIMHWIL-UHFFFAOYSA-N 1 1 398.572 4.281 20 0 GIADMO Cc1ccc(COc2c(C)cc(C[N@H+](C)Cc3cc(=O)c(O)co3)cc2C)cc1 ZINC000573286773 823476289 /nfs/dbraw/zinc/47/62/89/823476289.db2.gz JSMBFZANFQEHKL-UHFFFAOYSA-N 1 1 393.483 4.482 20 0 GIADMO Cc1ccc(COc2c(C)cc(C[N@@H+](C)Cc3cc(=O)c(O)co3)cc2C)cc1 ZINC000573286773 823476293 /nfs/dbraw/zinc/47/62/93/823476293.db2.gz JSMBFZANFQEHKL-UHFFFAOYSA-N 1 1 393.483 4.482 20 0 GIADMO C[N@@H+](CCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C1CCCCC1 ZINC000029177268 820405426 /nfs/dbraw/zinc/40/54/26/820405426.db2.gz NYQAMOGZCRZXDH-UHFFFAOYSA-N 1 1 393.531 4.323 20 0 GIADMO C[N@@H+](CCCNC(=O)c1ccccc1NC(=O)c1ccccc1)C1CCCCC1 ZINC000029177241 820405560 /nfs/dbraw/zinc/40/55/60/820405560.db2.gz WRAJPXODOXXXLD-UHFFFAOYSA-N 1 1 393.531 4.323 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC(OCC(C)C)CC2)cc1 ZINC000123189079 823476314 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C[C@@H]1C[N@H+](CCC2CCN(Cc3ncc(-c4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000177512305 823479944 /nfs/dbraw/zinc/47/99/44/823479944.db2.gz TZBCJDBBXMIKPM-KDURUIRLSA-N 1 1 383.536 4.053 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000029475479 820460127 /nfs/dbraw/zinc/46/01/27/820460127.db2.gz QODWUZTYFIBHGV-DEOSSOPVSA-N 1 1 380.532 4.196 20 0 GIADMO O=C(c1cc(Cl)c[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029486017 820462419 /nfs/dbraw/zinc/46/24/19/820462419.db2.gz CEVLDYVSCORHMH-UHFFFAOYSA-N 1 1 379.891 4.216 20 0 GIADMO Cc1noc(C)c1C[NH+](CCCCC1CCOCC1)Cc1c(C)noc1C ZINC000410377801 823481125 /nfs/dbraw/zinc/48/11/25/823481125.db2.gz HXAOEBALWQTRCH-UHFFFAOYSA-N 1 1 375.513 4.495 20 0 GIADMO CSCC[C@H]([NH2+]Cc1cccc(Br)c1)c1nnc2ccccn21 ZINC000123225439 823481265 /nfs/dbraw/zinc/48/12/65/823481265.db2.gz MIHUXYZDXOJJGC-HNNXBMFYSA-N 1 1 391.338 4.076 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(SC)cc2)cc1 ZINC000029597653 820481926 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O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc(C(F)(F)F)nc1 ZINC000029639247 820489820 /nfs/dbraw/zinc/48/98/20/820489820.db2.gz FDAHGHUAEZKJHA-UHFFFAOYSA-N 1 1 384.427 4.185 20 0 GIADMO CC(C)c1ccc(C[N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029715169 820504679 /nfs/dbraw/zinc/50/46/79/820504679.db2.gz SKWZBOBNOPZXMA-FQEVSTJZSA-N 1 1 384.483 4.479 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccc(F)c3cccnc23)C2CC2)cc1 ZINC000029718487 820505774 /nfs/dbraw/zinc/50/57/74/820505774.db2.gz IPHRBFFFIWRGJS-UHFFFAOYSA-N 1 1 389.474 4.431 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCn4cccc4[C@@H]3C)cc2)C1 ZINC000410393256 823484888 /nfs/dbraw/zinc/48/48/88/823484888.db2.gz OXXIVANAUZDPDH-MOPGFXCFSA-N 1 1 380.536 4.006 20 0 GIADMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825401 820525090 /nfs/dbraw/zinc/52/50/90/820525090.db2.gz RAVVSTGTZCLEBG-HZPDHXFCSA-N 1 1 379.460 4.043 20 0 GIADMO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825401 820525097 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4.433 20 0 GIADMO Cc1cc2cc(NC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)ccc2[nH]1 ZINC000029880124 820538539 /nfs/dbraw/zinc/53/85/39/820538539.db2.gz BGCIKJGVALFPMR-IAGOWNOFSA-N 1 1 377.488 4.338 20 0 GIADMO CCc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000029938932 820551425 /nfs/dbraw/zinc/55/14/25/820551425.db2.gz HGOOAFSGJASIGO-FQEVSTJZSA-N 1 1 382.504 4.148 20 0 GIADMO Cc1ccc2c(CN3CCC[N@@H+](Cc4ccccc4C)CC3)cc(=O)oc2c1 ZINC000030153825 820580455 /nfs/dbraw/zinc/58/04/55/820580455.db2.gz ZZTTZHAZCGUJHM-UHFFFAOYSA-N 1 1 376.500 4.118 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccc(Br)o1 ZINC000030217438 820588247 /nfs/dbraw/zinc/58/82/47/820588247.db2.gz LVSPCSXVIGFUAG-UHFFFAOYSA-N 1 1 383.311 4.225 20 0 GIADMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000030224395 820590490 /nfs/dbraw/zinc/59/04/90/820590490.db2.gz VHPYSYXWLQTPRY-HXUWFJFHSA-N 1 1 379.529 4.124 20 0 GIADMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000030224395 820590495 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GIADMO COc1ccc([C@H]([NH2+]Cc2c[nH]c3nccnc23)c2ccccc2Cl)cc1 ZINC000573413387 823490889 /nfs/dbraw/zinc/49/08/89/823490889.db2.gz WGTPNTKFODJLME-IBGZPJMESA-N 1 1 378.863 4.451 20 0 GIADMO C[N@@H+](Cc1ccc(Br)o1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000030536944 820634963 /nfs/dbraw/zinc/63/49/63/820634963.db2.gz BGRRCNYGHSTSDM-INIZCTEOSA-N 1 1 390.277 4.067 20 0 GIADMO C[N@H+](Cc1ccc(Br)o1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000030536944 820634968 /nfs/dbraw/zinc/63/49/68/820634968.db2.gz BGRRCNYGHSTSDM-INIZCTEOSA-N 1 1 390.277 4.067 20 0 GIADMO COC[C@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)c1ccc(C)o1 ZINC000177566231 823492486 /nfs/dbraw/zinc/49/24/86/823492486.db2.gz NMSWUALFBUVTRG-INIZCTEOSA-N 1 1 378.266 4.104 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(COCc2ccco2)c1)c1ccco1 ZINC000059349989 823492801 /nfs/dbraw/zinc/49/28/01/823492801.db2.gz UBOSODHEMMRWPI-LJQANCHMSA-N 1 1 383.448 4.014 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123319022 823495588 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Fc1cc(Br)cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000177589636 823497168 /nfs/dbraw/zinc/49/71/68/823497168.db2.gz FIADFYFIYXRLJF-GOSISDBHSA-N 1 1 386.305 4.138 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2cccc3ccccc32)[C@H](C)C1 ZINC000410480490 823498538 /nfs/dbraw/zinc/49/85/38/823498538.db2.gz ARRMETJLQRGEQB-XXBNENTESA-N 1 1 396.575 4.371 20 0 GIADMO Cc1ccccc1-c1noc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000030956193 820711037 /nfs/dbraw/zinc/71/10/37/820711037.db2.gz DASNNAGXRLFFNW-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(F)cc4)CC3)n2)cc1 ZINC000030975602 820713554 /nfs/dbraw/zinc/71/35/54/820713554.db2.gz WDLAOMMNVSCVSM-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460734645 823499345 /nfs/dbraw/zinc/49/93/45/823499345.db2.gz KJEJHTWFXVIWMM-UHFFFAOYSA-N 1 1 397.306 4.036 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000059828848 823499890 /nfs/dbraw/zinc/49/98/90/823499890.db2.gz KIMCQEAEOMPRQD-UHFFFAOYSA-N 1 1 379.287 4.120 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(c3cccc(Br)c3)CC2)C1 ZINC000059990998 823504363 /nfs/dbraw/zinc/50/43/63/823504363.db2.gz YXXAQWNWNTUCER-HNNXBMFYSA-N 1 1 393.369 4.107 20 0 GIADMO C[C@@H]1C[C@@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000123392884 823504950 /nfs/dbraw/zinc/50/49/50/823504950.db2.gz VISZRXVLMUBBJR-DYVFJYSZSA-N 1 1 378.314 4.019 20 0 GIADMO COc1ccccc1-c1csc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000060031779 823505247 /nfs/dbraw/zinc/50/52/47/823505247.db2.gz QCUVEEKUMIGRBC-IBGZPJMESA-N 1 1 393.512 4.422 20 0 GIADMO COc1ccccc1-c1csc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000060031779 823505252 /nfs/dbraw/zinc/50/52/52/823505252.db2.gz QCUVEEKUMIGRBC-IBGZPJMESA-N 1 1 393.512 4.422 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000410588516 823505466 /nfs/dbraw/zinc/50/54/66/823505466.db2.gz JQIUCAHCDBEAIA-RBUKOAKNSA-N 1 1 384.545 4.192 20 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GIADMO O=C(C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1)N1CCCCCC1 ZINC000177676976 823512317 /nfs/dbraw/zinc/51/23/17/823512317.db2.gz KYNCUIAWWTVBSK-UHFFFAOYSA-N 1 1 397.332 4.203 20 0 GIADMO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccsc1 ZINC000031985355 820884296 /nfs/dbraw/zinc/88/42/96/820884296.db2.gz MZVWPQFJQDAQNF-OAQYLSRUSA-N 1 1 398.572 4.399 20 0 GIADMO CC1(C)C(=O)N(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1(C)C ZINC000177683158 823513099 /nfs/dbraw/zinc/51/30/99/823513099.db2.gz AKHRVAQEWQJSQS-UHFFFAOYSA-N 1 1 375.900 4.265 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000123528024 823517847 /nfs/dbraw/zinc/51/78/47/823517847.db2.gz ZTIKLZQZALUEIV-UHFFFAOYSA-N 1 1 388.943 4.110 20 0 GIADMO Cc1cc2occ(CC(=O)NCCC[N@H+]3CCc4ccccc4C3)c2cc1C ZINC000032400621 820934507 /nfs/dbraw/zinc/93/45/07/820934507.db2.gz PNOADNCHEKVEKQ-UHFFFAOYSA-N 1 1 376.500 4.157 20 0 GIADMO Cc1ccc(NCc2cc(F)c(F)c(F)c2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123508464 823515774 /nfs/dbraw/zinc/51/57/74/823515774.db2.gz UPOCMPJEIRASEW-UHFFFAOYSA-N 1 1 391.437 4.449 20 0 GIADMO COC(=O)[C@@](C)(C[NH2+][C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1)c1ccccc1 ZINC000189940492 823516212 /nfs/dbraw/zinc/51/62/12/823516212.db2.gz NVJPAYITDFFNHX-SBUREZEXSA-N 1 1 393.487 4.135 20 0 GIADMO CC[C@@H](CNC(=O)c1oc2c(cccc2F)c1C)[N@H+]1CCc2ccccc2C1 ZINC000032446799 820945883 /nfs/dbraw/zinc/94/58/83/820945883.db2.gz JYZFVHNQHBBMKB-SFHVURJKSA-N 1 1 380.463 4.447 20 0 GIADMO CC[C@H](CNC(=O)c1cc(F)c(F)cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000032445938 820946109 /nfs/dbraw/zinc/94/61/09/820946109.db2.gz UDWINJOJBLVEKP-OAHLLOKOSA-N 1 1 378.850 4.185 20 0 GIADMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1 ZINC000060335699 823516509 /nfs/dbraw/zinc/51/65/09/823516509.db2.gz ZXALTLFXFUEUPP-FQEVSTJZSA-N 1 1 380.467 4.106 20 0 GIADMO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000060335699 823516510 /nfs/dbraw/zinc/51/65/10/823516510.db2.gz ZXALTLFXFUEUPP-FQEVSTJZSA-N 1 1 380.467 4.106 20 0 GIADMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000060335699 823516516 /nfs/dbraw/zinc/51/65/16/823516516.db2.gz ZXALTLFXFUEUPP-FQEVSTJZSA-N 1 1 380.467 4.106 20 0 GIADMO Cc1ccccc1NC(=O)CC[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189948013 823516969 /nfs/dbraw/zinc/51/69/69/823516969.db2.gz OHLDGNPUXFYAFN-PMACEKPBSA-N 1 1 379.548 4.070 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 ZINC000123524133 823517163 /nfs/dbraw/zinc/51/71/63/823517163.db2.gz JBKMGTJIPYXZKW-UHFFFAOYSA-N 1 1 376.589 4.346 20 0 GIADMO O=C([C@H]1CCCc2ccccc21)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355362 823518984 /nfs/dbraw/zinc/51/89/84/823518984.db2.gz BBTOHGJJCWVXFG-DEOSSOPVSA-N 1 1 376.544 4.274 20 0 GIADMO O=C(c1ccc(OCC2CC2)cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355303 823519100 /nfs/dbraw/zinc/51/91/00/823519100.db2.gz RDVGDZPKLXNXPF-UHFFFAOYSA-N 1 1 392.543 4.256 20 0 GIADMO C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000060356442 823519244 /nfs/dbraw/zinc/51/92/44/823519244.db2.gz RSDDXIGHZKUBQD-QGZVFWFLSA-N 1 1 395.478 4.050 20 0 GIADMO COC(=O)c1sccc1NC(=O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000060356544 823519266 /nfs/dbraw/zinc/51/92/66/823519266.db2.gz DROJLXSBQXJXHP-UHFFFAOYSA-N 1 1 394.496 4.272 20 0 GIADMO COC(=O)c1sccc1NC(=O)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000060356544 823519269 /nfs/dbraw/zinc/51/92/69/823519269.db2.gz DROJLXSBQXJXHP-UHFFFAOYSA-N 1 1 394.496 4.272 20 0 GIADMO O=C(c1cccc(OCc2cccs2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032641563 820983082 /nfs/dbraw/zinc/98/30/82/820983082.db2.gz BNPRRBXZLFXJTE-UHFFFAOYSA-N 1 1 392.524 4.285 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3c4ccccc4CC[C@@H]3C)CC2)cs1 ZINC000123547849 823519856 /nfs/dbraw/zinc/51/98/56/823519856.db2.gz SKQKCPSWOJRULL-YCRPNKLZSA-N 1 1 383.561 4.103 20 0 GIADMO C[C@@H](CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)[N@H+]1CCCC[C@@H]1C ZINC000032735103 821001236 /nfs/dbraw/zinc/00/12/36/821001236.db2.gz FVUQQRZRSPOPOJ-IRXDYDNUSA-N 1 1 393.531 4.181 20 0 GIADMO C[C@@H](CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1)[N@H+]1CCCC[C@@H]1C ZINC000032737579 821001634 /nfs/dbraw/zinc/00/16/34/821001634.db2.gz LZANJHFQACAAPB-ROUUACIJSA-N 1 1 385.552 4.198 20 0 GIADMO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000032761985 821004691 /nfs/dbraw/zinc/00/46/91/821004691.db2.gz VEEHCDHSTMYYCY-MRXNPFEDSA-N 1 1 399.560 4.107 20 0 GIADMO COCC[N@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000032773206 821007204 /nfs/dbraw/zinc/00/72/04/821007204.db2.gz PZDMEPGMERFKHQ-IBGZPJMESA-N 1 1 376.500 4.166 20 0 GIADMO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000032773206 821007216 /nfs/dbraw/zinc/00/72/16/821007216.db2.gz PZDMEPGMERFKHQ-IBGZPJMESA-N 1 1 376.500 4.166 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC([C@H]3CCCO3)CC2)c1 ZINC000189993431 823523018 /nfs/dbraw/zinc/52/30/18/823523018.db2.gz DVLOSVFZFSKIHP-OAQYLSRUSA-N 1 1 396.535 4.478 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)CC1 ZINC000123630142 823527646 /nfs/dbraw/zinc/52/76/46/823527646.db2.gz HVNMFAXMNHZPCP-UHFFFAOYSA-N 1 1 397.519 4.116 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000123631005 823527663 /nfs/dbraw/zinc/52/76/63/823527663.db2.gz JVUAFKMIEFQUQT-UHFFFAOYSA-N 1 1 395.385 4.352 20 0 GIADMO CCCOc1cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)ccc1OC ZINC000190025254 823527728 /nfs/dbraw/zinc/52/77/28/823527728.db2.gz LOWNDHGHESODLJ-UHFFFAOYSA-N 1 1 391.458 4.246 20 0 GIADMO CCCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1OCC ZINC000060440004 823527779 /nfs/dbraw/zinc/52/77/79/823527779.db2.gz OUYALUZAERETDC-UHFFFAOYSA-N 1 1 396.531 4.141 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000177809566 823528607 /nfs/dbraw/zinc/52/86/07/823528607.db2.gz CQXBMKPUZPFYDN-CABCVRRESA-N 1 1 394.359 4.423 20 0 GIADMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1OC ZINC000036031023 821067646 /nfs/dbraw/zinc/06/76/46/821067646.db2.gz PRCODCVHHPTYAF-JOCHJYFZSA-N 1 1 377.484 4.440 20 0 GIADMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1OC(C)C ZINC000036684484 821075254 /nfs/dbraw/zinc/07/52/54/821075254.db2.gz AGACHJWCLSOIOQ-SFHVURJKSA-N 1 1 386.492 4.032 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1Cl ZINC000036674248 821075565 /nfs/dbraw/zinc/07/55/65/821075565.db2.gz CKDGIFVFMXUQOQ-IBGZPJMESA-N 1 1 399.947 4.425 20 0 GIADMO C/C=C/c1ccc(OCC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(OC)c1 ZINC000060412915 823524784 /nfs/dbraw/zinc/52/47/84/823524784.db2.gz YRNRVKAGIFPAHT-RMKNXTFCSA-N 1 1 396.531 4.264 20 0 GIADMO CCOc1ccccc1OCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000060425947 823525937 /nfs/dbraw/zinc/52/59/37/823525937.db2.gz OKNSZDRMUFJPBW-LJQANCHMSA-N 1 1 396.531 4.155 20 0 GIADMO Cc1noc2nc(C)cc(C(=O)NCc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)c12 ZINC000060426000 823526022 /nfs/dbraw/zinc/52/60/22/823526022.db2.gz CCHBBYYWVPALMF-MRXNPFEDSA-N 1 1 392.503 4.144 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000039564055 821115968 /nfs/dbraw/zinc/11/59/68/821115968.db2.gz WRSOWMOXOBXBTL-UHFFFAOYSA-N 1 1 399.560 4.193 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000460845155 823527065 /nfs/dbraw/zinc/52/70/65/823527065.db2.gz HVWVIWYEKGBLAH-CVDCTZTESA-N 1 1 375.516 4.360 20 0 GIADMO c1sc(-c2ccccc2)nc1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000060463089 823530884 /nfs/dbraw/zinc/53/08/84/823530884.db2.gz ZTZXQGLOHGLULU-UHFFFAOYSA-N 1 1 379.529 4.007 20 0 GIADMO O=C(NCc1ccc(C(F)F)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460880735 823535400 /nfs/dbraw/zinc/53/54/00/823535400.db2.gz INSISWHAUSJKJZ-RTWAWAEBSA-N 1 1 399.485 4.288 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cccc(-c2ccccc2)c1 ZINC000177825609 823531698 /nfs/dbraw/zinc/53/16/98/823531698.db2.gz HLZNZMCGSBZEIB-HXUWFJFHSA-N 1 1 386.543 4.351 20 0 GIADMO Cc1cccc(C)c1NCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000460869042 823532875 /nfs/dbraw/zinc/53/28/75/823532875.db2.gz FAMXBMBCYZIXCG-UHFFFAOYSA-N 1 1 379.548 4.086 20 0 GIADMO CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)C(C)C ZINC000060483017 823533094 /nfs/dbraw/zinc/53/30/94/823533094.db2.gz VFBHULPCLWUBSK-MRXNPFEDSA-N 1 1 378.944 4.269 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc2ccn(C)c21 ZINC000190067731 823533429 /nfs/dbraw/zinc/53/34/29/823533429.db2.gz WJDXOYIZWHAXPB-IBGZPJMESA-N 1 1 376.504 4.164 20 0 GIADMO CCOc1ccc(-n2c(C)cc(C(=O)C[NH+]3CCC(OCC)CC3)c2C)cc1 ZINC000060485500 823533459 /nfs/dbraw/zinc/53/34/59/823533459.db2.gz XQUPYPOGXBRJNW-UHFFFAOYSA-N 1 1 384.520 4.176 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000041106765 821170561 /nfs/dbraw/zinc/17/05/61/821170561.db2.gz ONDLDQMJRKGGDY-MRXNPFEDSA-N 1 1 380.460 4.145 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000460889751 823536544 /nfs/dbraw/zinc/53/65/44/823536544.db2.gz POWHCBBZPGFGME-OAQYLSRUSA-N 1 1 382.552 4.369 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460894891 823537306 /nfs/dbraw/zinc/53/73/06/823537306.db2.gz MLNQCXLBCBBQFD-GDAAHCPNSA-N 1 1 397.485 4.269 20 0 GIADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 ZINC000460901004 823538481 /nfs/dbraw/zinc/53/84/81/823538481.db2.gz CNUCOQVLFCDYOF-HXUWFJFHSA-N 1 1 387.568 4.364 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3cnn(-c4ccccc4)c3)cc2)C1 ZINC000060547909 823541133 /nfs/dbraw/zinc/54/11/33/823541133.db2.gz WNULKICSLIDWEN-LJQANCHMSA-N 1 1 388.515 4.285 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1CCCCC1 ZINC000042012533 821254049 /nfs/dbraw/zinc/25/40/49/821254049.db2.gz MIXHWPBTBOTFGV-LJQANCHMSA-N 1 1 397.563 4.181 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123778576 823540089 /nfs/dbraw/zinc/54/00/89/823540089.db2.gz KODQVWMEZDOOGX-YWZLYKJASA-N 1 1 395.305 4.484 20 0 GIADMO O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123780834 823540241 /nfs/dbraw/zinc/54/02/41/823540241.db2.gz RTOXFYWBFCFYFO-UWJYYQICSA-N 1 1 375.472 4.027 20 0 GIADMO COc1ccc2c(c1)CCN2C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000060545070 823540356 /nfs/dbraw/zinc/54/03/56/823540356.db2.gz ZDYWIKVUQOENDF-GOSISDBHSA-N 1 1 393.531 4.342 20 0 GIADMO C[N@@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc(Br)o1 ZINC000042146546 821274738 /nfs/dbraw/zinc/27/47/38/821274738.db2.gz ZVOWPTVJWVHQIR-UHFFFAOYSA-N 1 1 382.283 4.218 20 0 GIADMO Cc1ccsc1C[N@H+](C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000042473884 821308363 /nfs/dbraw/zinc/30/83/63/821308363.db2.gz WTNQMSMHYRZCFY-UHFFFAOYSA-N 1 1 379.529 4.286 20 0 GIADMO Cc1ccsc1C[N@@H+](C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000042473884 821308372 /nfs/dbraw/zinc/30/83/72/821308372.db2.gz WTNQMSMHYRZCFY-UHFFFAOYSA-N 1 1 379.529 4.286 20 0 GIADMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000042563594 821310219 /nfs/dbraw/zinc/31/02/19/821310219.db2.gz OOCRMVIMAPFUFB-QGZVFWFLSA-N 1 1 384.545 4.417 20 0 GIADMO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000042564076 821310819 /nfs/dbraw/zinc/31/08/19/821310819.db2.gz JOUHCVJNYOZLLE-SJORKVTESA-N 1 1 397.544 4.086 20 0 GIADMO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000042573903 821312254 /nfs/dbraw/zinc/31/22/54/821312254.db2.gz SAZFTTVJHXBNMY-RTBURBONSA-N 1 1 378.516 4.156 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042657445 821321155 /nfs/dbraw/zinc/32/11/55/821321155.db2.gz YRGFMGNRPWACDT-IIBYNOLFSA-N 1 1 386.923 4.421 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042657429 821321339 /nfs/dbraw/zinc/32/13/39/821321339.db2.gz RTKOGRMIOSWPBK-IIBYNOLFSA-N 1 1 386.923 4.421 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000042739220 821328690 /nfs/dbraw/zinc/32/86/90/821328690.db2.gz IPWBWWPCXLDZGY-FQEVSTJZSA-N 1 1 392.455 4.459 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000042739220 821328700 /nfs/dbraw/zinc/32/87/00/821328700.db2.gz IPWBWWPCXLDZGY-FQEVSTJZSA-N 1 1 392.455 4.459 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccco1 ZINC000043137782 821366878 /nfs/dbraw/zinc/36/68/78/821366878.db2.gz XMEDPYGNJJVEKS-KRWDZBQOSA-N 1 1 395.425 4.275 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1)c1ccco1 ZINC000043138013 821366918 /nfs/dbraw/zinc/36/69/18/821366918.db2.gz BSZLSRIPLGLJPO-PZJWPPBQSA-N 1 1 381.451 4.110 20 0 GIADMO O=C(Nc1ccccc1C(F)(F)F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043159158 821371032 /nfs/dbraw/zinc/37/10/32/821371032.db2.gz LILGDLHNNNJPRL-UHFFFAOYSA-N 1 1 377.410 4.445 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000180626928 821374034 /nfs/dbraw/zinc/37/40/34/821374034.db2.gz DLVIIGNGZNGRHY-CYBMUJFWSA-N 1 1 381.293 4.140 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000180626928 821374044 /nfs/dbraw/zinc/37/40/44/821374044.db2.gz DLVIIGNGZNGRHY-CYBMUJFWSA-N 1 1 381.293 4.140 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000180628919 821374337 /nfs/dbraw/zinc/37/43/37/821374337.db2.gz RPGNNUGJHGQEQX-QGZVFWFLSA-N 1 1 387.553 4.012 20 0 GIADMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000180652402 821383425 /nfs/dbraw/zinc/38/34/25/821383425.db2.gz XLGGTNSVHCYFEO-NZQKXSOJSA-N 1 1 391.515 4.041 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c2cccc(F)c2)cn1 ZINC000180661387 821386446 /nfs/dbraw/zinc/38/64/46/821386446.db2.gz FCNDLKIXNUZNIR-NRFANRHFSA-N 1 1 395.478 4.394 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000043313407 821390583 /nfs/dbraw/zinc/39/05/83/821390583.db2.gz XAYQYXFXWVVMLV-UHFFFAOYSA-N 1 1 381.520 4.272 20 0 GIADMO C[C@H](CCN[C@@H](c1cnn(C)c1)c1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000180697043 821400510 /nfs/dbraw/zinc/40/05/10/821400510.db2.gz ZJDYPWFBAISBCD-WZONZLPQSA-N 1 1 380.511 4.149 20 0 GIADMO COc1cc(C)c(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1OC ZINC000043405130 821402976 /nfs/dbraw/zinc/40/29/76/821402976.db2.gz QOAPFVBEWXCRRD-KRWDZBQOSA-N 1 1 391.899 4.090 20 0 GIADMO CCCOc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000043452495 821409357 /nfs/dbraw/zinc/40/93/57/821409357.db2.gz JLJQCWDDHCEJJT-UHFFFAOYSA-N 1 1 397.519 4.224 20 0 GIADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180710546 821410116 /nfs/dbraw/zinc/41/01/16/821410116.db2.gz PEESYIRDZIXWJY-KBXCAEBGSA-N 1 1 383.458 4.140 20 0 GIADMO O=C(Nc1ccccc1N1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000043457251 821411035 /nfs/dbraw/zinc/41/10/35/821411035.db2.gz CDEHWRAJQLLRIV-UHFFFAOYSA-N 1 1 396.510 4.166 20 0 GIADMO O=C(Nc1ccccc1N1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000043457251 821411045 /nfs/dbraw/zinc/41/10/45/821411045.db2.gz CDEHWRAJQLLRIV-UHFFFAOYSA-N 1 1 396.510 4.166 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c(-c2cccs2)n1 ZINC000180724282 821419051 /nfs/dbraw/zinc/41/90/51/821419051.db2.gz XSVPEOWBABKZAD-MOPGFXCFSA-N 1 1 385.508 4.376 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)Nc1ccc(Br)c2ccccc12 ZINC000180727023 821420232 /nfs/dbraw/zinc/42/02/32/821420232.db2.gz XKOWHGWSYWLJMS-UHFFFAOYSA-N 1 1 391.309 4.043 20 0 GIADMO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000180737188 821425603 /nfs/dbraw/zinc/42/56/03/821425603.db2.gz OVIMWGATHHCCGQ-QGZVFWFLSA-N 1 1 382.495 4.282 20 0 GIADMO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000180740415 821427596 /nfs/dbraw/zinc/42/75/96/821427596.db2.gz MAECWQCABONMTD-INIZCTEOSA-N 1 1 386.458 4.271 20 0 GIADMO Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000180749593 821433357 /nfs/dbraw/zinc/43/33/57/821433357.db2.gz ROSIYBGQYUNOQP-TZIWHRDSSA-N 1 1 389.902 4.065 20 0 GIADMO Cc1ccc(CC(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000180749593 821433361 /nfs/dbraw/zinc/43/33/61/821433361.db2.gz ROSIYBGQYUNOQP-TZIWHRDSSA-N 1 1 389.902 4.065 20 0 GIADMO CC(C)n1ncc2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c(Cl)nc21 ZINC000180781330 821453959 /nfs/dbraw/zinc/45/39/59/821453959.db2.gz XVVZIOSBPFGMJC-BEFAXECRSA-N 1 1 387.959 4.114 20 0 GIADMO CCOCc1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1OC ZINC000180802769 821466685 /nfs/dbraw/zinc/46/66/85/821466685.db2.gz YTRAFDWZYWOINE-KRWDZBQOSA-N 1 1 397.441 4.284 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)n1 ZINC000180803246 821466729 /nfs/dbraw/zinc/46/67/29/821466729.db2.gz LRHFAZROBAOHLM-MRXNPFEDSA-N 1 1 375.398 4.129 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)n1 ZINC000180803246 821466732 /nfs/dbraw/zinc/46/67/32/821466732.db2.gz LRHFAZROBAOHLM-MRXNPFEDSA-N 1 1 375.398 4.129 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccccc2)n1 ZINC000180805039 821467976 /nfs/dbraw/zinc/46/79/76/821467976.db2.gz LKWGFLMWXKQAMM-KRWDZBQOSA-N 1 1 389.425 4.140 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000180806021 821468832 /nfs/dbraw/zinc/46/88/32/821468832.db2.gz FWSYNVIZBJGXBO-OAHLLOKOSA-N 1 1 392.931 4.221 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000180807826 821470247 /nfs/dbraw/zinc/47/02/47/821470247.db2.gz FORDTLGRILNJKL-LJQANCHMSA-N 1 1 382.504 4.216 20 0 GIADMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(C)c(OCc4ccccn4)c(C)c3)[C@H]2C1 ZINC000180812738 821473718 /nfs/dbraw/zinc/47/37/18/821473718.db2.gz JVHGLGHHSCIXHS-VJBWXMMDSA-N 1 1 396.531 4.046 20 0 GIADMO CN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000043926353 821490308 /nfs/dbraw/zinc/49/03/08/821490308.db2.gz AETBQJMXGFHWEZ-UHFFFAOYSA-N 1 1 391.496 4.305 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccco1 ZINC000043981331 821498207 /nfs/dbraw/zinc/49/82/07/821498207.db2.gz LTUSIWMBGPKVFH-MRXNPFEDSA-N 1 1 398.488 4.018 20 0 GIADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC)c(C)c1 ZINC000180894622 821520556 /nfs/dbraw/zinc/52/05/56/821520556.db2.gz UCLSYWDLMJBNCP-MGPUTAFESA-N 1 1 395.952 4.159 20 0 GIADMO c1csc(-c2cc(CN3CC[NH+](Cc4cccc5cccnc54)CC3)no2)c1 ZINC000044088709 821520619 /nfs/dbraw/zinc/52/06/19/821520619.db2.gz OIKZBGOUAVJVNW-UHFFFAOYSA-N 1 1 390.512 4.269 20 0 GIADMO c1c(CN2CC[NH+](Cc3cccc4cccnc43)CC2)onc1-c1ccccc1 ZINC000044088893 821520682 /nfs/dbraw/zinc/52/06/82/821520682.db2.gz RXGBUUWFBRXXEW-UHFFFAOYSA-N 1 1 384.483 4.208 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000180927431 821542881 /nfs/dbraw/zinc/54/28/81/821542881.db2.gz RSGFFSIIELKPRB-UHFFFAOYSA-N 1 1 395.507 4.185 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000180927431 821542885 /nfs/dbraw/zinc/54/28/85/821542885.db2.gz RSGFFSIIELKPRB-UHFFFAOYSA-N 1 1 395.507 4.185 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)CC1 ZINC000180931345 821544789 /nfs/dbraw/zinc/54/47/89/821544789.db2.gz HSGWQNRTZXLXIP-UHFFFAOYSA-N 1 1 383.540 4.014 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000180958228 821556597 /nfs/dbraw/zinc/55/65/97/821556597.db2.gz GHOBZRYLORHTAD-GFCCVEGCSA-N 1 1 382.291 4.028 20 0 GIADMO Cc1cc(C(=O)C[N@H+](Cc2ccccc2)[C@@H](C)CCO)c(C)n1CC(F)(F)F ZINC000180986324 821575913 /nfs/dbraw/zinc/57/59/13/821575913.db2.gz FGVBWQVCCWBAGS-HNNXBMFYSA-N 1 1 396.453 4.123 20 0 GIADMO Cc1cc(C(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)c(C)n1CC(F)(F)F ZINC000180986324 821575919 /nfs/dbraw/zinc/57/59/19/821575919.db2.gz FGVBWQVCCWBAGS-HNNXBMFYSA-N 1 1 396.453 4.123 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000180996696 821583079 /nfs/dbraw/zinc/58/30/79/821583079.db2.gz AKBYFMCYQFUDSR-IBGZPJMESA-N 1 1 382.552 4.289 20 0 GIADMO CC(C)(CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000044487259 821592697 /nfs/dbraw/zinc/59/26/97/821592697.db2.gz OPMFFPGXSBSNLO-FUHWJXTLSA-N 1 1 382.470 4.308 20 0 GIADMO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3nc(-c4ccccn4)cs3)CC2)C1 ZINC000181012342 821592930 /nfs/dbraw/zinc/59/29/30/821592930.db2.gz HBPUOORNXZGPFD-PKOBYXMFSA-N 1 1 384.593 4.380 20 0 GIADMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)oc2c1C(=O)CCC2 ZINC000044552630 821607766 /nfs/dbraw/zinc/60/77/66/821607766.db2.gz GFIGKAQVBWSNIF-MRXNPFEDSA-N 1 1 394.515 4.269 20 0 GIADMO O=C(/C=C/c1cccnc1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000044553474 821608428 /nfs/dbraw/zinc/60/84/28/821608428.db2.gz LOMQPUDHFCHWIJ-MHNQQFQPSA-N 1 1 389.524 4.072 20 0 GIADMO O=C(/C=C/c1cccnc1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000044553474 821608431 /nfs/dbraw/zinc/60/84/31/821608431.db2.gz LOMQPUDHFCHWIJ-MHNQQFQPSA-N 1 1 389.524 4.072 20 0 GIADMO O=C(/C=C/c1cccnc1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000044553475 821608495 /nfs/dbraw/zinc/60/84/95/821608495.db2.gz LOMQPUDHFCHWIJ-SHBDEGQCSA-N 1 1 389.524 4.072 20 0 GIADMO O=C(/C=C/c1cccnc1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000044553475 821608500 /nfs/dbraw/zinc/60/85/00/821608500.db2.gz LOMQPUDHFCHWIJ-SHBDEGQCSA-N 1 1 389.524 4.072 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000181100521 821631897 /nfs/dbraw/zinc/63/18/97/821631897.db2.gz DIRPJPFEUWKNNL-GOSISDBHSA-N 1 1 378.476 4.025 20 0 GIADMO CC[N@@H+]1CC[C@@H](NC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181108949 821638031 /nfs/dbraw/zinc/63/80/31/821638031.db2.gz AOBFSTFBDYAZIR-CTNGQTDRSA-N 1 1 389.902 4.149 20 0 GIADMO CC[N@H+]1CC[C@@H](NC(=O)CCCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181108949 821638036 /nfs/dbraw/zinc/63/80/36/821638036.db2.gz AOBFSTFBDYAZIR-CTNGQTDRSA-N 1 1 389.902 4.149 20 0 GIADMO C[C@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000181109105 821638079 /nfs/dbraw/zinc/63/80/79/821638079.db2.gz SZMDNBBEHRAZIF-HIFRSBDPSA-N 1 1 394.393 4.279 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc(F)c1 ZINC000181108768 821638094 /nfs/dbraw/zinc/63/80/94/821638094.db2.gz XNZJTCORLJXQHT-MRXNPFEDSA-N 1 1 391.397 4.064 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCC3)cc2C)c(OC)c1 ZINC000044831092 821669259 /nfs/dbraw/zinc/66/92/59/821669259.db2.gz AYSBINIHVGFDFH-MRXNPFEDSA-N 1 1 383.492 4.052 20 0 GIADMO CC(=O)N1CCc2cc(C(=O)[C@@H](C)Nc3ccc([NH+]4CCCC4)cc3C)ccc21 ZINC000044831004 821669460 /nfs/dbraw/zinc/66/94/60/821669460.db2.gz LHCKDYDVOGKJHQ-QGZVFWFLSA-N 1 1 391.515 4.188 20 0 GIADMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856758 821672937 /nfs/dbraw/zinc/67/29/37/821672937.db2.gz BEWFGIVCMDZWJT-NHCUHLMSSA-N 1 1 396.531 4.183 20 0 GIADMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856759 821672957 /nfs/dbraw/zinc/67/29/57/821672957.db2.gz BEWFGIVCMDZWJT-SFTDATJTSA-N 1 1 396.531 4.183 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)ccc1F ZINC000181183011 821682918 /nfs/dbraw/zinc/68/29/18/821682918.db2.gz XQKRFKPOLFOVPE-OXQOHEQNSA-N 1 1 381.451 4.442 20 0 GIADMO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000181183889 821683481 /nfs/dbraw/zinc/68/34/81/821683481.db2.gz TWOBGPXUNFSYFL-INIZCTEOSA-N 1 1 377.330 4.310 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)ccc1C ZINC000181203165 821694655 /nfs/dbraw/zinc/69/46/55/821694655.db2.gz IDGDRJVHANUCCB-FXAWDEMLSA-N 1 1 393.487 4.311 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000181211180 821699027 /nfs/dbraw/zinc/69/90/27/821699027.db2.gz YGSQZAKWZXPVPC-KGLIPLIRSA-N 1 1 396.915 4.431 20 0 GIADMO Cc1ccc(C[C@H](C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000181229576 821708045 /nfs/dbraw/zinc/70/80/45/821708045.db2.gz WMMSBIJOXUTSPL-RKCKCALGSA-N 1 1 376.544 4.485 20 0 GIADMO C[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccc(N2CCOC2=O)cc1 ZINC000181266360 821724357 /nfs/dbraw/zinc/72/43/57/821724357.db2.gz MASIHUPPFGRPGZ-CYBMUJFWSA-N 1 1 386.402 4.239 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000181272980 821727010 /nfs/dbraw/zinc/72/70/10/821727010.db2.gz DUBUTEUYVIIQIR-AWEZNQCLSA-N 1 1 381.407 4.288 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc(N2CCOC2=O)c1 ZINC000181315456 821753376 /nfs/dbraw/zinc/75/33/76/821753376.db2.gz SNYABFWLAZMEOJ-CQSZACIVSA-N 1 1 381.407 4.288 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000181330955 821764014 /nfs/dbraw/zinc/76/40/14/821764014.db2.gz QEMVASMHOKWAHU-HNNXBMFYSA-N 1 1 394.865 4.039 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c(Br)c1 ZINC000181391680 821801843 /nfs/dbraw/zinc/80/18/43/821801843.db2.gz OTKCBUBXWHEKFX-GFCCVEGCSA-N 1 1 380.282 4.326 20 0 GIADMO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1nc2c(s1)CCCC2 ZINC000181392583 821802658 /nfs/dbraw/zinc/80/26/58/821802658.db2.gz VBUSRMXXQQHAPD-ABAIWWIYSA-N 1 1 381.339 4.169 20 0 GIADMO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(SC(F)F)cc1 ZINC000181415888 821814216 /nfs/dbraw/zinc/81/42/16/821814216.db2.gz MDEKSMWPZFHLCD-JVPBZIDWSA-N 1 1 384.536 4.420 20 0 GIADMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)n[nH]1 ZINC000181426192 821820597 /nfs/dbraw/zinc/82/05/97/821820597.db2.gz FDSBDXMDDWATIP-KOLCDFICSA-N 1 1 375.366 4.203 20 0 GIADMO COc1ccc(-c2ncc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)s2)cc1 ZINC000181433604 821825279 /nfs/dbraw/zinc/82/52/79/821825279.db2.gz UHNNQAAWJIOJER-NVXWUHKLSA-N 1 1 399.560 4.202 20 0 GIADMO COc1ccccc1[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccco1 ZINC000181434805 821825882 /nfs/dbraw/zinc/82/58/82/821825882.db2.gz GGOIHIYUHREVJQ-HSZRJFAPSA-N 1 1 377.488 4.027 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181469528 821840915 /nfs/dbraw/zinc/84/09/15/821840915.db2.gz GWQKOJKCIHARAT-BRWVUGGUSA-N 1 1 378.944 4.185 20 0 GIADMO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000181516416 821863090 /nfs/dbraw/zinc/86/30/90/821863090.db2.gz MBJBQQRQDIDJCT-SFHVURJKSA-N 1 1 392.547 4.301 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)cs1 ZINC000181597776 821896639 /nfs/dbraw/zinc/89/66/39/821896639.db2.gz ZSHRKXMONLZBHB-LJQANCHMSA-N 1 1 399.947 4.159 20 0 GIADMO CCN(C(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1)c1nc2ccccc2s1 ZINC000181600788 821897478 /nfs/dbraw/zinc/89/74/78/821897478.db2.gz MEEGQHKCRGAEHA-KRWDZBQOSA-N 1 1 386.546 4.155 20 0 GIADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000181610234 821902188 /nfs/dbraw/zinc/90/21/88/821902188.db2.gz QOSVFEMXNFHFLY-QFIPXVFZSA-N 1 1 381.520 4.207 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc(C)cc2Br)C2CC2)n1 ZINC000181620201 821906737 /nfs/dbraw/zinc/90/67/37/821906737.db2.gz LDZHUVAYSBZPHS-MRXNPFEDSA-N 1 1 394.338 4.202 20 0 GIADMO C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181629790 821912427 /nfs/dbraw/zinc/91/24/27/821912427.db2.gz PKKVMDQEFNGVIV-HKUYNNGSSA-N 1 1 379.504 4.257 20 0 GIADMO C[C@H](NC(=O)CSc1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181639871 821918351 /nfs/dbraw/zinc/91/83/51/821918351.db2.gz YBWIOFFTIQCUFF-LSDHHAIUSA-N 1 1 389.590 4.158 20 0 GIADMO C[C@@H](NC(=O)c1cc(Cl)ccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181640346 821918602 /nfs/dbraw/zinc/91/86/02/821918602.db2.gz LHBZKCZTHWGXFL-CHWSQXEVSA-N 1 1 399.760 4.485 20 0 GIADMO C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181657526 821926745 /nfs/dbraw/zinc/92/67/45/821926745.db2.gz ZNRRXQYNIXRFHT-HOTGVXAUSA-N 1 1 378.944 4.267 20 0 GIADMO C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669496 821934909 /nfs/dbraw/zinc/93/49/09/821934909.db2.gz SXIIHACIDVOGQE-IEBWSBKVSA-N 1 1 397.588 4.046 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)cc1 ZINC000181676137 821939125 /nfs/dbraw/zinc/93/91/25/821939125.db2.gz YWDRBSCKYARWBW-IEBWSBKVSA-N 1 1 397.588 4.430 20 0 GIADMO CCOc1ccc([C@H]([NH2+]Cc2nnc(C3CCC3)n2C)C(C)C)cc1OCC ZINC000181680775 821940668 /nfs/dbraw/zinc/94/06/68/821940668.db2.gz NYQLQQFAKBRSHF-OAQYLSRUSA-N 1 1 386.540 4.367 20 0 GIADMO CCOc1ccc([C@@H]([NH2+]Cc2nnc(C3CCC3)n2C)C(C)C)cc1OCC ZINC000181680795 821940725 /nfs/dbraw/zinc/94/07/25/821940725.db2.gz NYQLQQFAKBRSHF-NRFANRHFSA-N 1 1 386.540 4.367 20 0 GIADMO C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181682340 821942081 /nfs/dbraw/zinc/94/20/81/821942081.db2.gz RZUKSVXFZNGAJX-HZPDHXFCSA-N 1 1 378.944 4.267 20 0 GIADMO Fc1cccc(F)c1-c1csc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)n1 ZINC000181738818 821970312 /nfs/dbraw/zinc/97/03/12/821970312.db2.gz UGMHEUVJQGJGAV-OAHLLOKOSA-N 1 1 394.487 4.248 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)CCc1cncc(F)c1)C1CCCCC1 ZINC000181777014 821988237 /nfs/dbraw/zinc/98/82/37/821988237.db2.gz DGLPXLRYTJUBAX-UHFFFAOYSA-N 1 1 383.511 4.234 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)Cc3ccc(C)cc3)CC2)cs1 ZINC000181779057 821988654 /nfs/dbraw/zinc/98/86/54/821988654.db2.gz DJXOBKMERCVTPW-GOSISDBHSA-N 1 1 399.604 4.221 20 0 GIADMO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000181803621 821999399 /nfs/dbraw/zinc/99/93/99/821999399.db2.gz XSLUYEWNOUMIMH-GFCCVEGCSA-N 1 1 386.908 4.456 20 0 GIADMO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c(C)c1 ZINC000181822637 822006731 /nfs/dbraw/zinc/00/67/31/822006731.db2.gz YERDQJHJQHYDIN-FQEVSTJZSA-N 1 1 382.504 4.223 20 0 GIADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000181822584 822006881 /nfs/dbraw/zinc/00/68/81/822006881.db2.gz XEAZQACVEXJRTN-DLBZAZTESA-N 1 1 397.548 4.027 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccc(-n2cncn2)cc1 ZINC000181899781 822031025 /nfs/dbraw/zinc/03/10/25/822031025.db2.gz ALCBLKBTIHLANB-ZDUSSCGKSA-N 1 1 381.386 4.051 20 0 GIADMO CCO[C@@H](C)c1noc(CN2CC[NH+]([C@H](C)c3ccc(C(C)C)cc3)CC2)n1 ZINC000181921582 822037141 /nfs/dbraw/zinc/03/71/41/822037141.db2.gz UDYMCDZULJMQKS-MSOLQXFVSA-N 1 1 386.540 4.169 20 0 GIADMO O=C(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000181951984 822043584 /nfs/dbraw/zinc/04/35/84/822043584.db2.gz OPXDZGYWKRVGNE-SJCJKPOMSA-N 1 1 386.845 4.448 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000181974864 822049953 /nfs/dbraw/zinc/04/99/53/822049953.db2.gz DQRLPOPLKJRERZ-CYBMUJFWSA-N 1 1 384.430 4.057 20 0 GIADMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000182011698 822061995 /nfs/dbraw/zinc/06/19/95/822061995.db2.gz AAWXTTOZZZCNGM-LEWJYISDSA-N 1 1 398.551 4.296 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182012642 822062174 /nfs/dbraw/zinc/06/21/74/822062174.db2.gz QPGZWPYUOMEKAL-MRXNPFEDSA-N 1 1 375.501 4.165 20 0 GIADMO O=C(CC1CCC(C(F)(F)F)CC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000182036501 822069690 /nfs/dbraw/zinc/06/96/90/822069690.db2.gz FNVGCFQBAHPCGN-UHFFFAOYSA-N 1 1 398.469 4.259 20 0 GIADMO C[C@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccc(-n2ccnn2)cc1 ZINC000182046467 822072135 /nfs/dbraw/zinc/07/21/35/822072135.db2.gz JFCCEVPZABFAKN-AWEZNQCLSA-N 1 1 379.464 4.381 20 0 GIADMO C[C@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccc(-n2ccnn2)cc1 ZINC000182054710 822075837 /nfs/dbraw/zinc/07/58/37/822075837.db2.gz HQIMYVUZIKVOGF-LBPRGKRZSA-N 1 1 387.365 4.278 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)cc(Br)c1OC ZINC000182068232 822080697 /nfs/dbraw/zinc/08/06/97/822080697.db2.gz UHMWCNWIJYMKJH-CYBMUJFWSA-N 1 1 379.298 4.444 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H](c4ccc(OC)cc4)C3)co2)cc1 ZINC000182104846 822095424 /nfs/dbraw/zinc/09/54/24/822095424.db2.gz LVXHGPWXZPGLQC-LJQANCHMSA-N 1 1 392.455 4.126 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000182114821 822099556 /nfs/dbraw/zinc/09/95/56/822099556.db2.gz RLHMEWYPLFRXLE-AWEZNQCLSA-N 1 1 378.925 4.302 20 0 GIADMO CCCc1c(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cnn1-c1cccc(F)c1 ZINC000182169968 822128806 /nfs/dbraw/zinc/12/88/06/822128806.db2.gz AXSOIVMRSQQATL-NRFANRHFSA-N 1 1 380.467 4.205 20 0 GIADMO CN(C)C(=O)CC1CC[NH+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000182177060 822133822 /nfs/dbraw/zinc/13/38/22/822133822.db2.gz LNCZIDNWOIAVHN-UHFFFAOYSA-N 1 1 395.425 4.051 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000182178502 822134273 /nfs/dbraw/zinc/13/42/73/822134273.db2.gz WAYJQXGFGJIGPZ-LJQANCHMSA-N 1 1 388.943 4.167 20 0 GIADMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182213689 822150615 /nfs/dbraw/zinc/15/06/15/822150615.db2.gz PDCVSKSGKMYRRE-OAHLLOKOSA-N 1 1 380.410 4.266 20 0 GIADMO CC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)[C@H](C)c1cccc(O)c1 ZINC000182216820 822152150 /nfs/dbraw/zinc/15/21/50/822152150.db2.gz CITSUZOJMNSEAJ-OAHLLOKOSA-N 1 1 380.444 4.417 20 0 GIADMO CC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)[C@H](C)c1cccc(O)c1 ZINC000182216820 822152155 /nfs/dbraw/zinc/15/21/55/822152155.db2.gz CITSUZOJMNSEAJ-OAHLLOKOSA-N 1 1 380.444 4.417 20 0 GIADMO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000182243333 822164240 /nfs/dbraw/zinc/16/42/40/822164240.db2.gz QEHKIWGTKRFSAA-PGRDOPGGSA-N 1 1 375.516 4.042 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000182243333 822164243 /nfs/dbraw/zinc/16/42/43/822164243.db2.gz QEHKIWGTKRFSAA-PGRDOPGGSA-N 1 1 375.516 4.042 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)[C@@H]1CCCO1 ZINC000182262984 822176044 /nfs/dbraw/zinc/17/60/44/822176044.db2.gz PULPDMKZMNIZRN-UXHICEINSA-N 1 1 387.549 4.492 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)o1 ZINC000182266740 822178029 /nfs/dbraw/zinc/17/80/29/822178029.db2.gz FGFCNFPNWRQAFK-GCJKJVERSA-N 1 1 376.500 4.364 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)o1 ZINC000182266740 822178032 /nfs/dbraw/zinc/17/80/32/822178032.db2.gz FGFCNFPNWRQAFK-GCJKJVERSA-N 1 1 376.500 4.364 20 0 GIADMO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1Cl ZINC000182269321 822180628 /nfs/dbraw/zinc/18/06/28/822180628.db2.gz LMTFXENDFZALSA-YOEHRIQHSA-N 1 1 379.331 4.411 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1Cl ZINC000182269321 822180634 /nfs/dbraw/zinc/18/06/34/822180634.db2.gz LMTFXENDFZALSA-YOEHRIQHSA-N 1 1 379.331 4.411 20 0 GIADMO 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CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(CCO)C2CCCCC2)c1 ZINC000182935558 822395821 /nfs/dbraw/zinc/39/58/21/822395821.db2.gz XZZIGPOODHCMHS-UHFFFAOYSA-N 1 1 384.524 4.214 20 0 GIADMO C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182943202 822397385 /nfs/dbraw/zinc/39/73/85/822397385.db2.gz SUMGKVZZVRUWLQ-YQQAZPJKSA-N 1 1 379.495 4.320 20 0 GIADMO CCN(Cc1c(F)cccc1F)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182953991 822399170 /nfs/dbraw/zinc/39/91/70/822399170.db2.gz WGXFDIZROYUCBC-CVEARBPZSA-N 1 1 379.495 4.149 20 0 GIADMO CCO[C@H]1C[C@@H](Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)C12CCC2 ZINC000182968112 822401350 /nfs/dbraw/zinc/40/13/50/822401350.db2.gz IMIFIAKFMYRGLN-RTWAWAEBSA-N 1 1 385.552 4.179 20 0 GIADMO Cc1cc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)ccc1F ZINC000178687036 822402932 /nfs/dbraw/zinc/40/29/32/822402932.db2.gz IWTTVXMSVNBQDK-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2)ccc1F ZINC000178687036 822402935 /nfs/dbraw/zinc/40/29/35/822402935.db2.gz IWTTVXMSVNBQDK-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000178702025 822404076 /nfs/dbraw/zinc/40/40/76/822404076.db2.gz YIEVWIPQYYDWCA-UHFFFAOYSA-N 1 1 388.924 4.439 20 0 GIADMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cn(C)nc3C3CCCCC3)CC2)c1 ZINC000182983179 822404587 /nfs/dbraw/zinc/40/45/87/822404587.db2.gz GSLQJIMTFHYVNC-UHFFFAOYSA-N 1 1 394.563 4.124 20 0 GIADMO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cn(C)nc3C3CCCCC3)CC2)c1 ZINC000182983179 822404591 /nfs/dbraw/zinc/40/45/91/822404591.db2.gz GSLQJIMTFHYVNC-UHFFFAOYSA-N 1 1 394.563 4.124 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000178751106 822407196 /nfs/dbraw/zinc/40/71/96/822407196.db2.gz DUKCOSGKWLJBHV-UHFFFAOYSA-N 1 1 378.476 4.325 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000183010874 822410868 /nfs/dbraw/zinc/41/08/68/822410868.db2.gz HWMFCNXYQDOSDA-XMSQKQJNSA-N 1 1 380.536 4.215 20 0 GIADMO Cc1cc(C)c2c(c1)[C@H](Nc1cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c1)CCCO2 ZINC000183013758 822411472 /nfs/dbraw/zinc/41/14/72/822411472.db2.gz BXLYQMQDGLEFTE-FGZHOGPDSA-N 1 1 393.531 4.079 20 0 GIADMO COc1cccc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000045780494 822413059 /nfs/dbraw/zinc/41/30/59/822413059.db2.gz HNEFSPQBKLYWFB-IBGZPJMESA-N 1 1 395.547 4.411 20 0 GIADMO COCCN(Cc1ccco1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000045780516 822413084 /nfs/dbraw/zinc/41/30/84/822413084.db2.gz RFWIOYFIWCULGS-LJQANCHMSA-N 1 1 399.535 4.012 20 0 GIADMO CN1CC[NH+](Cc2ccc(CNC(=O)Nc3ccccc3C(C)(C)C)cc2)CC1 ZINC000045782193 822413316 /nfs/dbraw/zinc/41/33/16/822413316.db2.gz YEECSGXYKGYWSH-UHFFFAOYSA-N 1 1 394.563 4.053 20 0 GIADMO CNC(=O)c1cccc(C[NH2+]Cc2c(Cl)n(-c3ccccc3)nc2C(C)C)c1 ZINC000045822456 822416932 /nfs/dbraw/zinc/41/69/32/822416932.db2.gz KSFAXNIAHXADAU-UHFFFAOYSA-N 1 1 396.922 4.299 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000178884533 822418732 /nfs/dbraw/zinc/41/87/32/822418732.db2.gz JSYQNUJEXDNWLQ-HXUWFJFHSA-N 1 1 396.535 4.041 20 0 GIADMO CC(C)C[C@H](CNC(=O)CC(c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000045898408 822422580 /nfs/dbraw/zinc/42/25/80/822422580.db2.gz QEGYBUYJPVYHRU-HSZRJFAPSA-N 1 1 394.559 4.072 20 0 GIADMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000178937882 822423118 /nfs/dbraw/zinc/42/31/18/822423118.db2.gz DRNFNPMXMPYHFA-SSDOTTSWSA-N 1 1 382.276 4.456 20 0 GIADMO C[C@@H](NCc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101505 822424528 /nfs/dbraw/zinc/42/45/28/822424528.db2.gz DJMKOMBEJBSSBG-TZIWHRDSSA-N 1 1 379.548 4.403 20 0 GIADMO C[C@@H](NCc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101505 822424529 /nfs/dbraw/zinc/42/45/29/822424529.db2.gz DJMKOMBEJBSSBG-TZIWHRDSSA-N 1 1 379.548 4.403 20 0 GIADMO C[C@@H]1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC[N@H+]1Cc1ccccc1 ZINC000178986490 822426739 /nfs/dbraw/zinc/42/67/39/822426739.db2.gz XODGDQQKNVTGAI-QGZVFWFLSA-N 1 1 377.463 4.111 20 0 GIADMO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000178992363 822427104 /nfs/dbraw/zinc/42/71/04/822427104.db2.gz BFOYETJOHSVGHO-UHFFFAOYSA-N 1 1 396.922 4.097 20 0 GIADMO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C)s1 ZINC000179012897 822429927 /nfs/dbraw/zinc/42/99/27/822429927.db2.gz LXNXOJWASMCICL-UHFFFAOYSA-N 1 1 397.466 4.127 20 0 GIADMO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(C)s1 ZINC000179012897 822429928 /nfs/dbraw/zinc/42/99/28/822429928.db2.gz LXNXOJWASMCICL-UHFFFAOYSA-N 1 1 397.466 4.127 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000183142176 822430275 /nfs/dbraw/zinc/43/02/75/822430275.db2.gz IOVVCRHHCBESOV-RTMHETIGSA-N 1 1 386.561 4.155 20 0 GIADMO COc1ccc(-c2noc(CN[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)n2)cc1 ZINC000183146253 822430932 /nfs/dbraw/zinc/43/09/32/822430932.db2.gz UXMWARKOPDHVJM-OAHLLOKOSA-N 1 1 389.459 4.090 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000045988839 822431218 /nfs/dbraw/zinc/43/12/18/822431218.db2.gz NRIQDKNJYHPZII-GOSISDBHSA-N 1 1 388.556 4.447 20 0 GIADMO O=C(c1nc2cc(Cl)ccc2s1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000454137305 822432604 /nfs/dbraw/zinc/43/26/04/822432604.db2.gz RWHDCINVXTVLLF-UHFFFAOYSA-N 1 1 385.920 4.298 20 0 GIADMO O=C(c1nc2cc(Cl)ccc2s1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000454137305 822432607 /nfs/dbraw/zinc/43/26/07/822432607.db2.gz RWHDCINVXTVLLF-UHFFFAOYSA-N 1 1 385.920 4.298 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000046008506 822433997 /nfs/dbraw/zinc/43/39/97/822433997.db2.gz QYGVGWCREQSBCG-HNNXBMFYSA-N 1 1 387.446 4.404 20 0 GIADMO Cc1cc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000183165028 822434116 /nfs/dbraw/zinc/43/41/16/822434116.db2.gz QEHDUCHWTXOVSU-DCFHFQCYSA-N 1 1 399.947 4.315 20 0 GIADMO COC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)c(F)c1 ZINC000183166490 822434337 /nfs/dbraw/zinc/43/43/37/822434337.db2.gz SLIKSFSGPUBKND-NRFANRHFSA-N 1 1 388.458 4.068 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1-n1cccn1 ZINC000183169832 822434786 /nfs/dbraw/zinc/43/47/86/822434786.db2.gz SXDGHFZQKSNJMH-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO O=C(c1sc2cc(F)ccc2c1Cl)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000046047893 822437963 /nfs/dbraw/zinc/43/79/63/822437963.db2.gz JMCQZFGDEQUTMI-CQSZACIVSA-N 1 1 396.915 4.021 20 0 GIADMO O=C(c1sc2cc(F)ccc2c1Cl)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000046047893 822437966 /nfs/dbraw/zinc/43/79/66/822437966.db2.gz JMCQZFGDEQUTMI-CQSZACIVSA-N 1 1 396.915 4.021 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000179102519 822438426 /nfs/dbraw/zinc/43/84/26/822438426.db2.gz AXAGGQJTLPHSHY-UHFFFAOYSA-N 1 1 382.508 4.067 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N[C@H]([C@@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000454226910 822440900 /nfs/dbraw/zinc/44/09/00/822440900.db2.gz LOPJQKDBCVTWCN-GMAHTHKFSA-N 1 1 399.579 4.370 20 0 GIADMO CC(C)Cn1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cn1 ZINC000183228684 822444700 /nfs/dbraw/zinc/44/47/00/822444700.db2.gz FPXNHSKNRGPGJP-SFHVURJKSA-N 1 1 383.471 4.108 20 0 GIADMO Cc1ccccc1[C@@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)C(C)C ZINC000183233256 822445365 /nfs/dbraw/zinc/44/53/65/822445365.db2.gz RBAIQGGDGSVNLM-IBGZPJMESA-N 1 1 387.434 4.059 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)CC[N@H+](C2CC2)C1 ZINC000454264890 822446025 /nfs/dbraw/zinc/44/60/25/822446025.db2.gz HKVGIIYNCBIGBA-LLVKDONJSA-N 1 1 386.721 4.051 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@H]3c3sccc3C)CC[N@H+]2C2CC2)c1 ZINC000183241414 822446948 /nfs/dbraw/zinc/44/69/48/822446948.db2.gz AMWCMXLLSWBVPL-PLACYPQZSA-N 1 1 396.556 4.263 20 0 GIADMO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ncc(Br)s1 ZINC000179188991 822448688 /nfs/dbraw/zinc/44/86/88/822448688.db2.gz QLYFUPQSTCAJNN-ZFWWWQNUSA-N 1 1 380.355 4.393 20 0 GIADMO C[C@@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202996 822450245 /nfs/dbraw/zinc/45/02/45/822450245.db2.gz MOARWHXGMONISR-HIFRSBDPSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202996 822450247 /nfs/dbraw/zinc/45/02/47/822450247.db2.gz MOARWHXGMONISR-HIFRSBDPSA-N 1 1 380.355 4.221 20 0 GIADMO Fc1ccccc1COc1cccc(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183266022 822450821 /nfs/dbraw/zinc/45/08/21/822450821.db2.gz STQKKXDPBDAVJI-UHFFFAOYSA-N 1 1 385.479 4.034 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)c3ccccc3SC)CC[N@H+]2C2CC2)c1 ZINC000183269842 822451270 /nfs/dbraw/zinc/45/12/70/822451270.db2.gz OAHKLEBKOFZNCO-TZIWHRDSSA-N 1 1 382.529 4.125 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3c[nH]c4cc(F)ccc34)CC[N@H+]2C2CC2)c1 ZINC000183271994 822451654 /nfs/dbraw/zinc/45/16/54/822451654.db2.gz WTLVPLJYQDKFDL-RBBKRZOGSA-N 1 1 393.462 4.023 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ncc(Br)s1 ZINC000179214096 822452466 /nfs/dbraw/zinc/45/24/66/822452466.db2.gz QCVJEGFXVNYJOY-QWRGUYRKSA-N 1 1 396.310 4.274 20 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ZINC000183318797 822458532 /nfs/dbraw/zinc/45/85/32/822458532.db2.gz MWNHOZRKBSLAGS-GMVOTWDCSA-N 1 1 380.866 4.341 20 0 GIADMO CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000046344458 822464087 /nfs/dbraw/zinc/46/40/87/822464087.db2.gz KIHCVEKSICMYES-OXJNMPFZSA-N 1 1 398.528 4.272 20 0 GIADMO Cc1cnc([C@H](C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000183407997 822469811 /nfs/dbraw/zinc/46/98/11/822469811.db2.gz JMSKZRMEAUQMER-MIJOPJBOSA-N 1 1 398.576 4.050 20 0 GIADMO CSCC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000454409674 822470925 /nfs/dbraw/zinc/47/09/25/822470925.db2.gz DGTMIGUATMLLOY-ADKAHSJRSA-N 1 1 395.638 4.181 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC[C@@H]1CCCCC1(F)F ZINC000454415888 822471869 /nfs/dbraw/zinc/47/18/69/822471869.db2.gz VOXKUUPLYVPWQP-HOTGVXAUSA-N 1 1 385.524 4.085 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454415619 822471876 /nfs/dbraw/zinc/47/18/76/822471876.db2.gz SYEGRFPDQXMWDG-PXNSSMCTSA-N 1 1 399.560 4.490 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2)C[C@H](C)O1 ZINC000046431919 822472379 /nfs/dbraw/zinc/47/23/79/822472379.db2.gz ATLPYXOOVQZDGA-KBPBESRZSA-N 1 1 376.859 4.341 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454422722 822473069 /nfs/dbraw/zinc/47/30/69/822473069.db2.gz DAOYJKVTEWYYFR-IFMALSPDSA-N 1 1 393.531 4.081 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(CN2CCC[N@H+](C3CC3)CC2)cs1 ZINC000179374400 822473065 /nfs/dbraw/zinc/47/30/65/822473065.db2.gz NONMQNMSPLTBRS-UHFFFAOYSA-N 1 1 398.576 4.060 20 0 GIADMO O=C(Nc1ccc(SC(F)F)cc1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000179378784 822473716 /nfs/dbraw/zinc/47/37/16/822473716.db2.gz BCNNCQVWXPZHIR-SFHVURJKSA-N 1 1 392.471 4.138 20 0 GIADMO Cc1ncc(C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)s1 ZINC000179383274 822474568 /nfs/dbraw/zinc/47/45/68/822474568.db2.gz GYRZXGYJIYYQQG-UHFFFAOYSA-N 1 1 389.528 4.390 20 0 GIADMO Cc1ncc(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccnc2)s1 ZINC000179383274 822474570 /nfs/dbraw/zinc/47/45/70/822474570.db2.gz GYRZXGYJIYYQQG-UHFFFAOYSA-N 1 1 389.528 4.390 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2)o1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388471 822475590 /nfs/dbraw/zinc/47/55/90/822475590.db2.gz YVXMVUFSTLBKEE-GOSISDBHSA-N 1 1 391.519 4.431 20 0 GIADMO Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OCC(F)F ZINC000183456238 822477747 /nfs/dbraw/zinc/47/77/47/822477747.db2.gz GEOJEKBNGDMAJV-CVEARBPZSA-N 1 1 395.494 4.413 20 0 GIADMO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(F)cc3Br)c(C)n2n1 ZINC000179404825 822478029 /nfs/dbraw/zinc/47/80/29/822478029.db2.gz DBCDYCSMLOIEJV-LLVKDONJSA-N 1 1 377.261 4.099 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1nc2c(s1)CCCC2 ZINC000179407345 822478397 /nfs/dbraw/zinc/47/83/97/822478397.db2.gz BQHXFCNJFRCVLN-SJORKVTESA-N 1 1 385.577 4.093 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC000454466616 822480085 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ZINC000046586723 822488715 /nfs/dbraw/zinc/48/87/15/822488715.db2.gz ICMWEGYVEAKNLW-INIZCTEOSA-N 1 1 378.472 4.414 20 0 GIADMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000046586723 822488717 /nfs/dbraw/zinc/48/87/17/822488717.db2.gz ICMWEGYVEAKNLW-INIZCTEOSA-N 1 1 378.472 4.414 20 0 GIADMO O=C(c1ccccc1)N1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000179483051 822489168 /nfs/dbraw/zinc/48/91/68/822489168.db2.gz QQUHENBWPIKAPR-UHFFFAOYSA-N 1 1 394.906 4.078 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(COc2ccccc2)cc1)c1ccco1 ZINC000179486162 822489840 /nfs/dbraw/zinc/48/98/40/822489840.db2.gz MRMGJWLVQDBNKA-FQEVSTJZSA-N 1 1 379.460 4.283 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179508604 822493090 /nfs/dbraw/zinc/49/30/90/822493090.db2.gz JXGHPEBYKWTDFV-KRWDZBQOSA-N 1 1 397.523 4.409 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179508604 822493091 /nfs/dbraw/zinc/49/30/91/822493091.db2.gz JXGHPEBYKWTDFV-KRWDZBQOSA-N 1 1 397.523 4.409 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179508604 822493094 /nfs/dbraw/zinc/49/30/94/822493094.db2.gz JXGHPEBYKWTDFV-KRWDZBQOSA-N 1 1 397.523 4.409 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183553393 822493903 /nfs/dbraw/zinc/49/39/03/822493903.db2.gz XNLXGVUUSSXTHH-YVEFUNNKSA-N 1 1 393.940 4.490 20 0 GIADMO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000183563945 822495267 /nfs/dbraw/zinc/49/52/67/822495267.db2.gz UBELBLVUKUVYDA-LBPRGKRZSA-N 1 1 379.485 4.379 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2cccnc2OCC(F)F)cnn1-c1ccc(F)cc1 ZINC000179521182 822496177 /nfs/dbraw/zinc/49/61/77/822496177.db2.gz HJDMTRRTFMZLAV-CYBMUJFWSA-N 1 1 390.409 4.210 20 0 GIADMO OC[C@H]1C=C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000183570571 822496252 /nfs/dbraw/zinc/49/62/52/822496252.db2.gz WEYWQVVFLXOKMC-CRFBAAHOSA-N 1 1 376.269 4.204 20 0 GIADMO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(Br)ccc1F ZINC000179521430 822496328 /nfs/dbraw/zinc/49/63/28/822496328.db2.gz QCFGJRUXVXOWHB-JTQLQIEISA-N 1 1 389.215 4.478 20 0 GIADMO CC[N@H+](Cc1sc(C)nc1C(F)(F)F)Cc1ccc(C(=O)N(C)C)cc1 ZINC000183579511 822497190 /nfs/dbraw/zinc/49/71/90/822497190.db2.gz YBJYNICEFRCVHF-UHFFFAOYSA-N 1 1 385.455 4.194 20 0 GIADMO CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)Cc1ccc(C(=O)N(C)C)cc1 ZINC000183579511 822497193 /nfs/dbraw/zinc/49/71/93/822497193.db2.gz YBJYNICEFRCVHF-UHFFFAOYSA-N 1 1 385.455 4.194 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000046643354 822497344 /nfs/dbraw/zinc/49/73/44/822497344.db2.gz DILXEBFASKCBTK-KDURUIRLSA-N 1 1 396.531 4.013 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000046643354 822497345 /nfs/dbraw/zinc/49/73/45/822497345.db2.gz DILXEBFASKCBTK-KDURUIRLSA-N 1 1 396.531 4.013 20 0 GIADMO FC(F)(F)c1cc(Br)ccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000179526898 822497385 /nfs/dbraw/zinc/49/73/85/822497385.db2.gz ACPVFQYHCLEAFP-ZIAGYGMSSA-N 1 1 377.248 4.184 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C ZINC000179543378 822500213 /nfs/dbraw/zinc/50/02/13/822500213.db2.gz WOEWWJCVBSJYDA-INIZCTEOSA-N 1 1 383.540 4.216 20 0 GIADMO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183605620 822500366 /nfs/dbraw/zinc/50/03/66/822500366.db2.gz GSXBSGXAQHSOBC-AZUAARDMSA-N 1 1 385.483 4.299 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000183610796 822501003 /nfs/dbraw/zinc/50/10/03/822501003.db2.gz RSOBQSFRCKBRAA-OALUTQOASA-N 1 1 396.531 4.115 20 0 GIADMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000454584854 822501392 /nfs/dbraw/zinc/50/13/92/822501392.db2.gz HQQHHIJGHLMGNL-SFHVURJKSA-N 1 1 385.430 4.054 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)c2cnc3ccc(F)cc3c2)[C@@H]1c1cccs1 ZINC000179550456 822501698 /nfs/dbraw/zinc/50/16/98/822501698.db2.gz MPVGJZRSGFDTHO-JLTOFOAXSA-N 1 1 383.492 4.248 20 0 GIADMO Cc1ccc(-c2cc(C[NH2+][C@H](CN3CCCC3=O)c3ccccc3)on2)cc1 ZINC000179553451 822502334 /nfs/dbraw/zinc/50/23/34/822502334.db2.gz RJLWGNADYCDHQG-JOCHJYFZSA-N 1 1 375.472 4.103 20 0 GIADMO CSCC1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000454594250 822502919 /nfs/dbraw/zinc/50/29/19/822502919.db2.gz LWAOWBGVZHUSEE-RLHVNXBHSA-N 1 1 389.609 4.261 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1c(F)cccc1F ZINC000454597977 822503777 /nfs/dbraw/zinc/50/37/77/822503777.db2.gz CSPLYADWTZHBSZ-IIBYNOLFSA-N 1 1 387.474 4.017 20 0 GIADMO O=C1CCCN1C[C@@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000179568255 822505025 /nfs/dbraw/zinc/50/50/25/822505025.db2.gz YYOOUBBEVMENOR-OAQYLSRUSA-N 1 1 395.890 4.448 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]Cc2sc(C)nc2C(F)(F)F)cc1OC ZINC000183643760 822505601 /nfs/dbraw/zinc/50/56/01/822505601.db2.gz CVOQBAFGDBQQRV-QMMMGPOBSA-N 1 1 378.391 4.477 20 0 GIADMO COc1ccccc1S(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000046704763 822507270 /nfs/dbraw/zinc/50/72/70/822507270.db2.gz QLWCHEOBYJBIMW-UHFFFAOYSA-N 1 1 388.533 4.261 20 0 GIADMO COc1ccccc1S(=O)(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000046704763 822507272 /nfs/dbraw/zinc/50/72/72/822507272.db2.gz QLWCHEOBYJBIMW-UHFFFAOYSA-N 1 1 388.533 4.261 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000454628083 822509095 /nfs/dbraw/zinc/50/90/95/822509095.db2.gz GWFBISVTQZPXBO-UHFFFAOYSA-N 1 1 383.561 4.250 20 0 GIADMO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3cccc(OC(F)F)c3)nc(=O)c2c1C ZINC000179595341 822509424 /nfs/dbraw/zinc/50/94/24/822509424.db2.gz NTVUAEHPZJPAHL-JTQLQIEISA-N 1 1 379.432 4.054 20 0 GIADMO CC(C)C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)C(=O)Nc1nccs1 ZINC000179599909 822510277 /nfs/dbraw/zinc/51/02/77/822510277.db2.gz FHBAHDVPXCIGPA-JSGCOSHPSA-N 1 1 378.567 4.182 20 0 GIADMO COc1cc(C)c([C@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nn2)cc1OC ZINC000179620813 822514365 /nfs/dbraw/zinc/51/43/65/822514365.db2.gz XWLUVUOYFCYXMV-AWEZNQCLSA-N 1 1 386.883 4.097 20 0 GIADMO CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000454671904 822515299 /nfs/dbraw/zinc/51/52/99/822515299.db2.gz ZTSDLHGZDASAEH-UYAOXDASSA-N 1 1 375.582 4.380 20 0 GIADMO CC[C@@H](C)NC(=O)CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183717947 822516252 /nfs/dbraw/zinc/51/62/52/822516252.db2.gz OHLSVRJLAOHUED-ACJLOTCBSA-N 1 1 379.298 4.026 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@H](C(=O)N(C)C)c3ccccc3)CC2)c(C)c1 ZINC000046780625 822516775 /nfs/dbraw/zinc/51/67/75/822516775.db2.gz VUZOPLNUQNCQFT-QFIPXVFZSA-N 1 1 378.516 4.028 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000183735405 822519204 /nfs/dbraw/zinc/51/92/04/822519204.db2.gz VEVZMBCQLACMOS-UHFFFAOYSA-N 1 1 390.281 4.171 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1ccc(Br)cc1 ZINC000046809218 822519781 /nfs/dbraw/zinc/51/97/81/822519781.db2.gz RQZHLYKWXBIPBL-UHFFFAOYSA-N 1 1 389.337 4.148 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000179654553 822521041 /nfs/dbraw/zinc/52/10/41/822521041.db2.gz OMGKVVZLLOEJRI-NRFANRHFSA-N 1 1 382.479 4.167 20 0 GIADMO CN(C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC000179655120 822521360 /nfs/dbraw/zinc/52/13/60/822521360.db2.gz UIXGAVHXHZZNHT-LIRRHRJNSA-N 1 1 393.865 4.457 20 0 GIADMO CCN(Cc1nnc(-c2cccc(Cl)c2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183754571 822522850 /nfs/dbraw/zinc/52/28/50/822522850.db2.gz CRHSPHFQPRJVRV-FQEVSTJZSA-N 1 1 396.922 4.486 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000179674230 822524413 /nfs/dbraw/zinc/52/44/13/822524413.db2.gz CRZLATCSFBLTRI-ZYHUDNBSSA-N 1 1 393.247 4.023 20 0 GIADMO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000179674895 822524539 /nfs/dbraw/zinc/52/45/39/822524539.db2.gz SRMBZSLIQMOBRR-ZDUSSCGKSA-N 1 1 383.517 4.111 20 0 GIADMO COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2Cl)c1 ZINC000183787876 822528194 /nfs/dbraw/zinc/52/81/94/822528194.db2.gz MTCDELUMLGHQSS-OLZOCXBDSA-N 1 1 394.874 4.024 20 0 GIADMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)on2)cc1 ZINC000046904469 822528843 /nfs/dbraw/zinc/52/88/43/822528843.db2.gz GNFKDMMBTNHVAM-IBGZPJMESA-N 1 1 379.460 4.200 20 0 GIADMO CSCC1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000454767512 822530390 /nfs/dbraw/zinc/53/03/90/822530390.db2.gz KYOFABWTAHVJMQ-MAKTXDPSSA-N 1 1 389.609 4.118 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)[C@H](CC)c2ccncc2)cc1 ZINC000179700384 822530445 /nfs/dbraw/zinc/53/04/45/822530445.db2.gz NKIYUTPHSCFQNC-FGZHOGPDSA-N 1 1 381.520 4.227 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)[C@H](CC)c2ccncc2)cc1 ZINC000179700384 822530446 /nfs/dbraw/zinc/53/04/46/822530446.db2.gz NKIYUTPHSCFQNC-FGZHOGPDSA-N 1 1 381.520 4.227 20 0 GIADMO C[C@@H](NC(=O)N1CCc2ccc(-c3ccccc3)cc2C1)C1=CC[N@@H+](C)CC1 ZINC000454778685 822532438 /nfs/dbraw/zinc/53/24/38/822532438.db2.gz SLQPDENGGFGGQH-GOSISDBHSA-N 1 1 375.516 4.072 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000046934676 822532555 /nfs/dbraw/zinc/53/25/55/822532555.db2.gz CVECSELHJJPAOJ-XGCWNURASA-N 1 1 384.545 4.049 20 0 GIADMO CC(=O)N1CCc2cc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)ccc21 ZINC000046934531 822532564 /nfs/dbraw/zinc/53/25/64/822532564.db2.gz YVUVTZFOHLFHBZ-KRWDZBQOSA-N 1 1 391.515 4.080 20 0 GIADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000179711245 822532701 /nfs/dbraw/zinc/53/27/01/822532701.db2.gz NPAIANWBZROAMK-MAUKXSAKSA-N 1 1 376.460 4.195 20 0 GIADMO C[C@H](NC(=O)NC[C@H]1CSc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454780552 822532771 /nfs/dbraw/zinc/53/27/71/822532771.db2.gz XRDFCQZSEOJJAX-SXLOBPIMSA-N 1 1 395.572 4.086 20 0 GIADMO CC[C@H](c1nnc(SCc2ncccc2C)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000179719346 822534753 /nfs/dbraw/zinc/53/47/53/822534753.db2.gz BNCCLJBZCFIMNW-LJQANCHMSA-N 1 1 397.548 4.284 20 0 GIADMO Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nnc4n2CCCC4)CCC3)cc1 ZINC000183842830 822534784 /nfs/dbraw/zinc/53/47/84/822534784.db2.gz RDBPNIYDUQBYNK-OAHLLOKOSA-N 1 1 383.496 4.044 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000183848312 822535427 /nfs/dbraw/zinc/53/54/27/822535427.db2.gz HTHJNEHRVIUDHK-QGZVFWFLSA-N 1 1 387.911 4.080 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2nnc4n2CCCC4)CCC3)cc1 ZINC000183848602 822535547 /nfs/dbraw/zinc/53/55/47/822535547.db2.gz OBCBSZXHDIDKNX-INIZCTEOSA-N 1 1 379.533 4.214 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047010911 822537546 /nfs/dbraw/zinc/53/75/46/822537546.db2.gz IMEBRVHDEGCTSL-OXJNMPFZSA-N 1 1 399.560 4.050 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000047010911 822537547 /nfs/dbraw/zinc/53/75/47/822537547.db2.gz IMEBRVHDEGCTSL-OXJNMPFZSA-N 1 1 399.560 4.050 20 0 GIADMO CCO[C@@H](CC[NH+](C)C)CN[C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183863393 822537763 /nfs/dbraw/zinc/53/77/63/822537763.db2.gz UMRJUFOZPNZVEZ-PKOBYXMFSA-N 1 1 395.341 4.078 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc(Cl)c1OC ZINC000179736676 822538923 /nfs/dbraw/zinc/53/89/23/822538923.db2.gz CBVNNNDFYDLQIR-CQSZACIVSA-N 1 1 398.931 4.094 20 0 GIADMO Cc1oc(-c2ccccc2)nc1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047037816 822538938 /nfs/dbraw/zinc/53/89/38/822538938.db2.gz CEIARHOMJREPPI-HDICACEKSA-N 1 1 383.536 4.067 20 0 GIADMO C[C@H](F)CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000454817164 822539918 /nfs/dbraw/zinc/53/99/18/822539918.db2.gz NUNYLLDZHXCXBY-LBPRGKRZSA-N 1 1 376.303 4.005 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000179741309 822540582 /nfs/dbraw/zinc/54/05/82/822540582.db2.gz AISYPLOOZZLINN-GFCCVEGCSA-N 1 1 376.469 4.082 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000179749429 822542185 /nfs/dbraw/zinc/54/21/85/822542185.db2.gz HDZSFCPCKZXBQY-IBGZPJMESA-N 1 1 396.531 4.320 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](CCCO)c3ccccc3)cs2)c1 ZINC000179750873 822542718 /nfs/dbraw/zinc/54/27/18/822542718.db2.gz KAQKMUBYOVCTHU-FQEVSTJZSA-N 1 1 396.512 4.200 20 0 GIADMO COc1cc(-c2nc(C[NH2+][C@H](CCCO)c3ccccc3)cs2)ccc1O ZINC000179753276 822543404 /nfs/dbraw/zinc/54/34/04/822543404.db2.gz DGTFKQBTRPDDEV-GOSISDBHSA-N 1 1 384.501 4.128 20 0 GIADMO C[C@@H]([NH2+]C1(c2ccc(F)cc2F)CCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179754348 822543533 /nfs/dbraw/zinc/54/35/33/822543533.db2.gz OPMHPJNLWIWJMH-GFCCVEGCSA-N 1 1 383.435 4.237 20 0 GIADMO Cc1ccc(OCc2nc(C[N@@H+]3CCC[C@@H](C4(C)OCCO4)C3)cs2)cc1 ZINC000183905009 822543798 /nfs/dbraw/zinc/54/37/98/822543798.db2.gz LIQQGCKALUXJJU-QGZVFWFLSA-N 1 1 388.533 4.006 20 0 GIADMO Cc1ccc(OCc2nc(C[N@H+]3CCC[C@@H](C4(C)OCCO4)C3)cs2)cc1 ZINC000183905009 822543802 /nfs/dbraw/zinc/54/38/02/822543802.db2.gz LIQQGCKALUXJJU-QGZVFWFLSA-N 1 1 388.533 4.006 20 0 GIADMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000179755066 822543833 /nfs/dbraw/zinc/54/38/33/822543833.db2.gz DGTQNXARAVUHNY-UHFFFAOYSA-N 1 1 390.842 4.059 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000179756970 822544272 /nfs/dbraw/zinc/54/42/72/822544272.db2.gz NZCPGFAPCSFGFJ-UHFFFAOYSA-N 1 1 397.515 4.478 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000179758657 822544623 /nfs/dbraw/zinc/54/46/23/822544623.db2.gz RBLAHQYPDRWEMW-UHFFFAOYSA-N 1 1 385.895 4.178 20 0 GIADMO OC[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1cccc(Br)c1 ZINC000183917582 822545792 /nfs/dbraw/zinc/54/57/92/822545792.db2.gz XTAVEOFOBPWYKI-AWEZNQCLSA-N 1 1 396.235 4.017 20 0 GIADMO OC[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1cccc(Br)c1 ZINC000183917605 822546106 /nfs/dbraw/zinc/54/61/06/822546106.db2.gz XTAVEOFOBPWYKI-CQSZACIVSA-N 1 1 396.235 4.017 20 0 GIADMO CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047127966 822546463 /nfs/dbraw/zinc/54/64/63/822546463.db2.gz XVGWXRZRKLUVOZ-PMACEKPBSA-N 1 1 395.547 4.028 20 0 GIADMO Cc1ccc(-c2ccc(C(=O)N3CCC([N@@H+](C)CCCO)CC3)c(F)c2)cc1C ZINC000179767143 822548048 /nfs/dbraw/zinc/54/80/48/822548048.db2.gz GRPFVCZZHDOFEK-UHFFFAOYSA-N 1 1 398.522 4.028 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)cc2)cs1 ZINC000047146070 822548397 /nfs/dbraw/zinc/54/83/97/822548397.db2.gz FHDLXFQJZYYRKJ-OAHLLOKOSA-N 1 1 389.590 4.206 20 0 GIADMO Cc1csc(SCc2ccccc2C(=O)NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000047143184 822548405 /nfs/dbraw/zinc/54/84/05/822548405.db2.gz SUENERIQWHYQQB-MRXNPFEDSA-N 1 1 389.590 4.348 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)C2)C1 ZINC000454868277 822548678 /nfs/dbraw/zinc/54/86/78/822548678.db2.gz KKOLTLILEXGOBS-OAQYLSRUSA-N 1 1 375.488 4.097 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454879757 822550185 /nfs/dbraw/zinc/55/01/85/822550185.db2.gz ZHNFKACVKGIGBZ-TZIWHRDSSA-N 1 1 379.504 4.038 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1cc(F)ccc1F ZINC000179789228 822553398 /nfs/dbraw/zinc/55/33/98/822553398.db2.gz ZSXPLOZHYCQPKG-SJCJKPOMSA-N 1 1 378.419 4.050 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N2CC[C@@H](C)Sc3ccccc32)s1 ZINC000183960966 822554254 /nfs/dbraw/zinc/55/42/54/822554254.db2.gz JWYFIOGQOKYZCX-CYBMUJFWSA-N 1 1 375.563 4.194 20 0 GIADMO CC(C)[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000179803440 822556027 /nfs/dbraw/zinc/55/60/27/822556027.db2.gz XENUVTIFGJOPOG-KKXDTOCCSA-N 1 1 393.915 4.026 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000047228294 822556213 /nfs/dbraw/zinc/55/62/13/822556213.db2.gz RJTUXUILHDWOAQ-UHFFFAOYSA-N 1 1 396.248 4.072 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4ccccc4)CC3)c2c1 ZINC000047257252 822559027 /nfs/dbraw/zinc/55/90/27/822559027.db2.gz MQLKBGJPWSTYRQ-INIZCTEOSA-N 1 1 375.472 4.293 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4ccccc4)CC3)c2c1 ZINC000047257252 822559029 /nfs/dbraw/zinc/55/90/29/822559029.db2.gz MQLKBGJPWSTYRQ-INIZCTEOSA-N 1 1 375.472 4.293 20 0 GIADMO CCc1ccccc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000047257429 822559111 /nfs/dbraw/zinc/55/91/11/822559111.db2.gz QWOGWUBUHAPDEQ-UHFFFAOYSA-N 1 1 389.499 4.467 20 0 GIADMO CCc1ccccc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000047257429 822559112 /nfs/dbraw/zinc/55/91/12/822559112.db2.gz QWOGWUBUHAPDEQ-UHFFFAOYSA-N 1 1 389.499 4.467 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)n1 ZINC000047260953 822559549 /nfs/dbraw/zinc/55/95/49/822559549.db2.gz SMCIKCSWYSCLJF-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)n1 ZINC000047260953 822559553 /nfs/dbraw/zinc/55/95/53/822559553.db2.gz SMCIKCSWYSCLJF-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cn1cc(-c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cs2)cn1 ZINC000047266107 822559915 /nfs/dbraw/zinc/55/99/15/822559915.db2.gz PSPXTIGYZIYDNM-AWEZNQCLSA-N 1 1 379.489 4.064 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nccs1 ZINC000183996281 822560456 /nfs/dbraw/zinc/56/04/56/822560456.db2.gz MDGHICMZTPJAJU-QGZVFWFLSA-N 1 1 383.517 4.000 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nccs1 ZINC000183996281 822560460 /nfs/dbraw/zinc/56/04/60/822560460.db2.gz MDGHICMZTPJAJU-QGZVFWFLSA-N 1 1 383.517 4.000 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cn1 ZINC000047275941 822561276 /nfs/dbraw/zinc/56/12/76/822561276.db2.gz VQTCZJUYVHCIER-UHFFFAOYSA-N 1 1 397.438 4.080 20 0 GIADMO O=C(C[C@H](O)c1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000179837818 822563536 /nfs/dbraw/zinc/56/35/36/822563536.db2.gz YUUBXQALZIFTEW-KBRMVUAJSA-N 1 1 398.934 4.075 20 0 GIADMO Cc1cc(CNC(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc(N2CCCC2)[nH+]1 ZINC000454966754 822564325 /nfs/dbraw/zinc/56/43/25/822564325.db2.gz DAWJVRWIOVIUTO-HXUWFJFHSA-N 1 1 380.492 4.020 20 0 GIADMO Cc1ccc([C@@H](NC(=O)C[N@@H+](C)C[C@@H](C)c2nccs2)c2cccs2)cc1 ZINC000184020258 822565362 /nfs/dbraw/zinc/56/53/62/822565362.db2.gz RTAJKTFGVIBORG-OXQOHEQNSA-N 1 1 399.585 4.454 20 0 GIADMO Cc1ccc([C@@H](NC(=O)C[N@H+](C)C[C@@H](C)c2nccs2)c2cccs2)cc1 ZINC000184020258 822565364 /nfs/dbraw/zinc/56/53/64/822565364.db2.gz RTAJKTFGVIBORG-OXQOHEQNSA-N 1 1 399.585 4.454 20 0 GIADMO O=C(Nc1ccccc1Cl)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047323170 822565657 /nfs/dbraw/zinc/56/56/57/822565657.db2.gz MVDTXEXSOKNPNZ-UHFFFAOYSA-N 1 1 379.838 4.404 20 0 GIADMO CCC(=O)c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454984747 822566118 /nfs/dbraw/zinc/56/61/18/822566118.db2.gz FDTUIAWXEYINSQ-SFHVURJKSA-N 1 1 379.504 4.265 20 0 GIADMO Cc1c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cnn1CCC(C)C ZINC000455005541 822569193 /nfs/dbraw/zinc/56/91/93/822569193.db2.gz GSUFJBMVMNXSPW-LJQANCHMSA-N 1 1 397.567 4.223 20 0 GIADMO O=C(NCc1ccc(C(F)F)cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000184064067 822573414 /nfs/dbraw/zinc/57/34/14/822573414.db2.gz MOLQQJRHTRDKKQ-INIZCTEOSA-N 1 1 393.503 4.397 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ncccc3C(F)(F)F)cc2)C1 ZINC000179905136 822574343 /nfs/dbraw/zinc/57/43/43/822574343.db2.gz XYRSIDOXQRVSNH-OAHLLOKOSA-N 1 1 391.437 4.262 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccnc2C(F)(F)F)C1 ZINC000179912212 822575627 /nfs/dbraw/zinc/57/56/27/822575627.db2.gz SJLWVZBWQCBYET-HNNXBMFYSA-N 1 1 391.437 4.262 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000179919325 822577339 /nfs/dbraw/zinc/57/73/39/822577339.db2.gz CYTNPLVVQUQWAT-JJRVBVJISA-N 1 1 376.497 4.299 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)[C@H](CO)C(C)C)cc1 ZINC000179924597 822578168 /nfs/dbraw/zinc/57/81/68/822578168.db2.gz FSJTZQOUXQRKFD-JOCHJYFZSA-N 1 1 396.535 4.040 20 0 GIADMO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000455056206 822581954 /nfs/dbraw/zinc/58/19/54/822581954.db2.gz LGADOZQRMHLOJE-PWXKEOIMSA-N 1 1 382.335 4.023 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184122548 822582197 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XHXHIXWGRYMPBD-FOIQADDNSA-N 1 1 395.478 4.265 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000179970922 822587990 /nfs/dbraw/zinc/58/79/90/822587990.db2.gz BEBHEQKBZJQYTH-CYBMUJFWSA-N 1 1 382.851 4.077 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000184164725 822589165 /nfs/dbraw/zinc/58/91/65/822589165.db2.gz HTQWZLDILDZQCH-UHFFFAOYSA-N 1 1 394.784 4.178 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000179982760 822590346 /nfs/dbraw/zinc/59/03/46/822590346.db2.gz YEFPWGMOARWXAS-IERDGZPVSA-N 1 1 386.490 4.283 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000047557959 822590623 /nfs/dbraw/zinc/59/06/23/822590623.db2.gz VOBUNSLYNMXCSP-SFHVURJKSA-N 1 1 396.516 4.085 20 0 GIADMO CCN(C(=O)CCCc1nc2ccccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184177041 822591138 /nfs/dbraw/zinc/59/11/38/822591138.db2.gz YDLNRFHHKOPPKL-HXUWFJFHSA-N 1 1 390.531 4.009 20 0 GIADMO CC(F)(F)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455126862 822593165 /nfs/dbraw/zinc/59/31/65/822593165.db2.gz MSOMYHQPWJVNFX-MOPGFXCFSA-N 1 1 379.495 4.118 20 0 GIADMO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)Nc1ccccc1 ZINC000047593018 822595001 /nfs/dbraw/zinc/59/50/01/822595001.db2.gz ZKUJZNUWDXJEOM-UHFFFAOYSA-N 1 1 387.483 4.253 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)Nc1ccccc1 ZINC000047593018 822595003 /nfs/dbraw/zinc/59/50/03/822595003.db2.gz ZKUJZNUWDXJEOM-UHFFFAOYSA-N 1 1 387.483 4.253 20 0 GIADMO Cc1csc(Sc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC3)cc2)n1 ZINC000184205555 822596053 /nfs/dbraw/zinc/59/60/53/822596053.db2.gz DIKFJZFVFZPIRX-UHFFFAOYSA-N 1 1 376.551 4.161 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000180015818 822597002 /nfs/dbraw/zinc/59/70/02/822597002.db2.gz OBPBHGJVMHTTHN-HNNXBMFYSA-N 1 1 399.482 4.284 20 0 GIADMO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180023230 822598797 /nfs/dbraw/zinc/59/87/97/822598797.db2.gz RIZFCZHTSWDKEI-HNAYVOBHSA-N 1 1 396.922 4.241 20 0 GIADMO Cn1cc(CCC[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)cn1 ZINC000047660233 822599224 /nfs/dbraw/zinc/59/92/24/822599224.db2.gz NTIOBWOLJRZCAN-UHFFFAOYSA-N 1 1 385.515 4.337 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000184228486 822599642 /nfs/dbraw/zinc/59/96/42/822599642.db2.gz RVLGOWSDGAPTPJ-IERDGZPVSA-N 1 1 391.508 4.081 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000184228486 822599646 /nfs/dbraw/zinc/59/96/46/822599646.db2.gz RVLGOWSDGAPTPJ-IERDGZPVSA-N 1 1 391.508 4.081 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc(OC(F)F)c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000047714528 822602636 /nfs/dbraw/zinc/60/26/36/822602636.db2.gz WGEBULMGSAYWJW-NSHDSACASA-N 1 1 399.438 4.057 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc(OC(F)F)c(F)c1)[N@H+]1CCc2sccc2C1 ZINC000047714528 822602639 /nfs/dbraw/zinc/60/26/39/822602639.db2.gz WGEBULMGSAYWJW-NSHDSACASA-N 1 1 399.438 4.057 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000180060935 822606534 /nfs/dbraw/zinc/60/65/34/822606534.db2.gz IBVMSTAMIWEODM-UZLBHIALSA-N 1 1 375.520 4.168 20 0 GIADMO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000184271748 822606780 /nfs/dbraw/zinc/60/67/80/822606780.db2.gz JQYDZJUXVOIJRP-IAGOWNOFSA-N 1 1 379.529 4.396 20 0 GIADMO Cc1csc([C@H](C)[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000184282434 822608163 /nfs/dbraw/zinc/60/81/63/822608163.db2.gz FGSWTBONKNKTQT-XJKSGUPXSA-N 1 1 397.466 4.312 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(F)cc3F)CC[N@H+]2C2CC2)c1 ZINC000180068658 822608633 /nfs/dbraw/zinc/60/86/33/822608633.db2.gz AUGIXQFWFGUEHX-PMACEKPBSA-N 1 1 387.430 4.073 20 0 GIADMO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCc2c1cccc2Br ZINC000180072596 822609770 /nfs/dbraw/zinc/60/97/70/822609770.db2.gz NGKAAJWUXNSRNG-LJQANCHMSA-N 1 1 389.337 4.167 20 0 GIADMO COC(=O)c1oc(C[NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1C ZINC000180095162 822614325 /nfs/dbraw/zinc/61/43/25/822614325.db2.gz UAAFHXUZMQJSDW-HNNXBMFYSA-N 1 1 375.465 4.269 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000184325988 822615616 /nfs/dbraw/zinc/61/56/16/822615616.db2.gz PNUXGSMMDVFRCU-OAHLLOKOSA-N 1 1 375.341 4.095 20 0 GIADMO COCCc1ccccc1NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000455244593 822616492 /nfs/dbraw/zinc/61/64/92/822616492.db2.gz CROIHKFBRBUFRX-UHFFFAOYSA-N 1 1 381.520 4.052 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180108817 822617097 /nfs/dbraw/zinc/61/70/97/822617097.db2.gz VYVOGWQNLWBUPO-KRWDZBQOSA-N 1 1 388.581 4.256 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(Cl)c3Br)C2)C1 ZINC000455247899 822617171 /nfs/dbraw/zinc/61/71/71/822617171.db2.gz GKGITJULYGIWQE-MRXNPFEDSA-N 1 1 386.721 4.052 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3OCC3CCC3)C2)C1 ZINC000455249383 822617589 /nfs/dbraw/zinc/61/75/89/822617589.db2.gz IGFZZFJAXAUMJA-HXUWFJFHSA-N 1 1 377.916 4.078 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180113066 822617910 /nfs/dbraw/zinc/61/79/10/822617910.db2.gz VBGXMCRGWYQFCS-QHCPKHFHSA-N 1 1 380.511 4.279 20 0 GIADMO Fc1cccc([C@@H]([NH2+]Cc2cccnc2-n2cncn2)c2cccc(Cl)c2)c1 ZINC000180123040 822619958 /nfs/dbraw/zinc/61/99/58/822619958.db2.gz WPOCUUYDFSOIAI-FQEVSTJZSA-N 1 1 393.853 4.334 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)c2cccc(F)c2)cn1 ZINC000180129025 822621539 /nfs/dbraw/zinc/62/15/39/822621539.db2.gz WEOGTYIQGDNPOK-LJQANCHMSA-N 1 1 393.384 4.380 20 0 GIADMO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1nc2ccccc2n1C ZINC000180132906 822622585 /nfs/dbraw/zinc/62/25/85/822622585.db2.gz LSIFWDDUHLCKJW-YOEHRIQHSA-N 1 1 382.895 4.073 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2)c1 ZINC000047960081 822622862 /nfs/dbraw/zinc/62/28/62/822622862.db2.gz VZHWDOLZELLAKO-GOSISDBHSA-N 1 1 381.520 4.109 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000180139932 822624585 /nfs/dbraw/zinc/62/45/85/822624585.db2.gz UYVWWZUTDYTBLA-LBPRGKRZSA-N 1 1 375.847 4.041 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)c2cccc(F)c2)cn1 ZINC000180144067 822625721 /nfs/dbraw/zinc/62/57/21/822625721.db2.gz IECZFRDSUFHHGB-QHCPKHFHSA-N 1 1 393.510 4.214 20 0 GIADMO COc1cc(C)cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000455282525 822626420 /nfs/dbraw/zinc/62/64/20/822626420.db2.gz IHAULWDJJSHUKF-GOSISDBHSA-N 1 1 381.520 4.298 20 0 GIADMO CCCN(C(=O)[C@@H]1C[C@H]1c1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000455283851 822626805 /nfs/dbraw/zinc/62/68/05/822626805.db2.gz NPJJOXFEGUSSEI-RJGXRXQPSA-N 1 1 377.532 4.088 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1nc(C)cs1 ZINC000184399606 822628443 /nfs/dbraw/zinc/62/84/43/822628443.db2.gz FZPGKUYYPGCCCD-HUUCEWRRSA-N 1 1 375.563 4.410 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1nc(C)cs1 ZINC000184413519 822630581 /nfs/dbraw/zinc/63/05/81/822630581.db2.gz GLYPPNJKMPAAME-HNNXBMFYSA-N 1 1 386.348 4.458 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180166529 822630951 /nfs/dbraw/zinc/63/09/51/822630951.db2.gz JORCJHFYLJFGCV-LEWJYISDSA-N 1 1 394.906 4.009 20 0 GIADMO CC[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1nc(C)cs1 ZINC000184425757 822632793 /nfs/dbraw/zinc/63/27/93/822632793.db2.gz AYBYCQASGGQQBC-CYBMUJFWSA-N 1 1 393.361 4.273 20 0 GIADMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cc(-c3ccc(C)o3)ccc2C)CC1 ZINC000455327278 822634924 /nfs/dbraw/zinc/63/49/24/822634924.db2.gz PUVYILXEKLNNPT-UHFFFAOYSA-N 1 1 398.551 4.101 20 0 GIADMO COc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1C(F)(F)F ZINC000455331007 822635658 /nfs/dbraw/zinc/63/56/58/822635658.db2.gz PONHVFBOHIGEFS-CYBMUJFWSA-N 1 1 385.430 4.052 20 0 GIADMO CN(Cc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000455334326 822636147 /nfs/dbraw/zinc/63/61/47/822636147.db2.gz ZVABCOLBLWWOCZ-XMMPIXPASA-N 1 1 392.547 4.273 20 0 GIADMO Cn1nccc1C[NH2+][C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000180207784 822639547 /nfs/dbraw/zinc/63/95/47/822639547.db2.gz OVWWVRQYUSPOOJ-LJQANCHMSA-N 1 1 393.384 4.488 20 0 GIADMO O=C1C[C@H]([NH2+]Cc2csc(-c3cccs3)n2)CN1c1c(F)cccc1F ZINC000180215850 822641074 /nfs/dbraw/zinc/64/10/74/822641074.db2.gz UYOFJQADSCTMJX-NSHDSACASA-N 1 1 391.468 4.045 20 0 GIADMO COc1cccc([C@@H](O)C[N@@H+](Cc2cnn(C(C)C)c2)Cc2ccccc2)c1 ZINC000180219770 822641657 /nfs/dbraw/zinc/64/16/57/822641657.db2.gz XWFHGQZSBYDJIT-QHCPKHFHSA-N 1 1 379.504 4.208 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000184480150 822643175 /nfs/dbraw/zinc/64/31/75/822643175.db2.gz WSXWSUMYCNEHTR-IBGZPJMESA-N 1 1 394.515 4.346 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000184480150 822643176 /nfs/dbraw/zinc/64/31/76/822643176.db2.gz WSXWSUMYCNEHTR-IBGZPJMESA-N 1 1 394.515 4.346 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](CC(=O)OC(C)C)C3)o2)cc1C ZINC000184480845 822643185 /nfs/dbraw/zinc/64/31/85/822643185.db2.gz IFTYBYOJVFJWLU-ZWKOTPCHSA-N 1 1 385.508 4.468 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](CC(=O)OC(C)C)C3)o2)cc1C ZINC000184480845 822643188 /nfs/dbraw/zinc/64/31/88/822643188.db2.gz IFTYBYOJVFJWLU-ZWKOTPCHSA-N 1 1 385.508 4.468 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)N1CCc2sccc2C1 ZINC000184483785 822643695 /nfs/dbraw/zinc/64/36/95/822643695.db2.gz HGWWHOAYWNHRGE-CHWSQXEVSA-N 1 1 377.579 4.126 20 0 GIADMO COC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000180234124 822645262 /nfs/dbraw/zinc/64/52/62/822645262.db2.gz RJIVPWHGNMCTGE-YVEFUNNKSA-N 1 1 381.419 4.029 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cc(F)c(Br)cc1Cl)C1CC1 ZINC000455393316 822645797 /nfs/dbraw/zinc/64/57/97/822645797.db2.gz WIAOVWIZZPKXMH-UHFFFAOYSA-N 1 1 392.700 4.238 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)N(C)CC3)CC[N@H+]1Cc1ccccc1 ZINC000180251470 822648370 /nfs/dbraw/zinc/64/83/70/822648370.db2.gz VZOLHJCXKMJFNA-AVRDEDQJSA-N 1 1 392.547 4.196 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1nc(-c2ccccc2)cs1 ZINC000184522987 822650418 /nfs/dbraw/zinc/65/04/18/822650418.db2.gz LUSMVKLZMYQORN-INIZCTEOSA-N 1 1 377.513 4.046 20 0 GIADMO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455426023 822651466 /nfs/dbraw/zinc/65/14/66/822651466.db2.gz ZDDZPUGYDJRFHX-HSALFYBXSA-N 1 1 391.506 4.118 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCc2ccc3[nH]ccc3c2)CC1 ZINC000180269715 822651813 /nfs/dbraw/zinc/65/18/13/822651813.db2.gz ACNNEYKUPYUZBH-UHFFFAOYSA-N 1 1 389.543 4.471 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1nc(-c2ccccc2)cs1 ZINC000184535120 822652772 /nfs/dbraw/zinc/65/27/72/822652772.db2.gz AHWURPYYZIPAHY-OAHLLOKOSA-N 1 1 395.532 4.411 20 0 GIADMO Fc1ccc(-c2ccn(C[NH+]3CCC(n4ccc(C(F)(F)F)n4)CC3)n2)cc1 ZINC000180275967 822652961 /nfs/dbraw/zinc/65/29/61/822652961.db2.gz FYGOIQPDHWDOEU-UHFFFAOYSA-N 1 1 393.388 4.199 20 0 GIADMO CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184537825 822653563 /nfs/dbraw/zinc/65/35/63/822653563.db2.gz QCMRQVQIHCNUED-MRXNPFEDSA-N 1 1 395.528 4.176 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2ccccn2)cc1 ZINC000048323257 822653619 /nfs/dbraw/zinc/65/36/19/822653619.db2.gz UHMPSMCWQBFISA-GOSISDBHSA-N 1 1 383.561 4.006 20 0 GIADMO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000455449676 822656481 /nfs/dbraw/zinc/65/64/81/822656481.db2.gz USAFOHDPDBJONZ-TZUVLKIQSA-N 1 1 383.458 4.423 20 0 GIADMO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455450682 822656561 /nfs/dbraw/zinc/65/65/61/822656561.db2.gz XDABHHHPTBJZSB-RAFMOHDBSA-N 1 1 383.561 4.265 20 0 GIADMO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455471391 822661047 /nfs/dbraw/zinc/66/10/47/822661047.db2.gz IHMVGMXNXZPMMI-JZIBPQBNSA-N 1 1 382.335 4.247 20 0 GIADMO CCN(C(=O)NCc1nc2ccccc2s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184597467 822663501 /nfs/dbraw/zinc/66/35/01/822663501.db2.gz LLSISLBFPWKDFH-SFHVURJKSA-N 1 1 394.544 4.102 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2)cn1 ZINC000184601563 822664284 /nfs/dbraw/zinc/66/42/84/822664284.db2.gz YEPSBVUUMCHJQA-SFHVURJKSA-N 1 1 379.357 4.337 20 0 GIADMO CSCC[C@H]([NH2+]Cc1cc(F)cc2cccnc21)c1nnc2ccccn21 ZINC000184604677 822664694 /nfs/dbraw/zinc/66/46/94/822664694.db2.gz WTOVFSHMXSSGPQ-KRWDZBQOSA-N 1 1 381.480 4.001 20 0 GIADMO Cn1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2cccs2)n1 ZINC000180340028 822666403 /nfs/dbraw/zinc/66/64/03/822666403.db2.gz BNJMFVUFGZUPQT-UHFFFAOYSA-N 1 1 383.361 4.465 20 0 GIADMO Cn1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2cccs2)n1 ZINC000180340028 822666405 /nfs/dbraw/zinc/66/64/05/822666405.db2.gz BNJMFVUFGZUPQT-UHFFFAOYSA-N 1 1 383.361 4.465 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(OCC#N)c3)cc2)C1 ZINC000048509215 822668831 /nfs/dbraw/zinc/66/88/31/822668831.db2.gz PRFTVKOJQQDAJF-SFHVURJKSA-N 1 1 392.503 4.143 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2cc(F)cc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000455568610 822675926 /nfs/dbraw/zinc/67/59/26/822675926.db2.gz RNRZKXWJPHYKNL-XJKSGUPXSA-N 1 1 377.410 4.279 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(F)cc(F)c1F ZINC000455570900 822676305 /nfs/dbraw/zinc/67/63/05/822676305.db2.gz XKJLIJISYIYACH-GFCCVEGCSA-N 1 1 383.439 4.199 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(Cl)cc(OC)c1O ZINC000184698701 822678465 /nfs/dbraw/zinc/67/84/65/822678465.db2.gz GSUMHQCKUBCMPA-UHFFFAOYSA-N 1 1 376.884 4.132 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(Cl)cc(OC)c1O ZINC000184698701 822678467 /nfs/dbraw/zinc/67/84/67/822678467.db2.gz GSUMHQCKUBCMPA-UHFFFAOYSA-N 1 1 376.884 4.132 20 0 GIADMO C[NH+](C)CCOc1ccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000048742338 822680767 /nfs/dbraw/zinc/68/07/67/822680767.db2.gz JNTVPOXEALCFRS-UHFFFAOYSA-N 1 1 395.478 4.243 20 0 GIADMO CCc1nc([C@H](C)[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)cs1 ZINC000184715182 822681152 /nfs/dbraw/zinc/68/11/52/822681152.db2.gz YDBUKWSEUZRCGF-QWRGUYRKSA-N 1 1 375.321 4.103 20 0 GIADMO O=C(Nc1cccc(C[NH2+]Cc2cccc3c2OCO3)c1)c1ccc(F)cc1 ZINC000048781148 822682853 /nfs/dbraw/zinc/68/28/53/822682853.db2.gz JXHAKAJFKJWLRJ-UHFFFAOYSA-N 1 1 378.403 4.097 20 0 GIADMO CC(C)COC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000180442762 822683031 /nfs/dbraw/zinc/68/30/31/822683031.db2.gz MDGLUYDEWPKHRS-CQSZACIVSA-N 1 1 388.581 4.035 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]Cc1cccc(C)n1 ZINC000048783992 822683087 /nfs/dbraw/zinc/68/30/87/822683087.db2.gz UPXJYSIALGRFPD-UHFFFAOYSA-N 1 1 385.309 4.245 20 0 GIADMO O=C(N[C@@H](c1ccccc1)C(F)F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455615214 822684664 /nfs/dbraw/zinc/68/46/64/822684664.db2.gz FXGFIFFFYYWHHS-REWPJTCUSA-N 1 1 399.485 4.300 20 0 GIADMO C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455616057 822684825 /nfs/dbraw/zinc/68/48/25/822684825.db2.gz OVQSEKIIDZRDFQ-HNNXBMFYSA-N 1 1 385.474 4.152 20 0 GIADMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000184744545 822685178 /nfs/dbraw/zinc/68/51/78/822685178.db2.gz QQDKEJHDSQAKKL-CYBMUJFWSA-N 1 1 389.805 4.107 20 0 GIADMO O=C(Nc1cccc(C2CC2)n1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000455621144 822685539 /nfs/dbraw/zinc/68/55/39/822685539.db2.gz PTPJFZVKCLSWIP-UHFFFAOYSA-N 1 1 390.531 4.479 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](c1ccccc1)C(F)F ZINC000455641012 822689289 /nfs/dbraw/zinc/68/92/89/822689289.db2.gz HFBHPVHBKKFWBO-LSTHTHJFSA-N 1 1 387.474 4.203 20 0 GIADMO Cc1ccccc1-c1ccc(Cl)c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1 ZINC000455642202 822689523 /nfs/dbraw/zinc/68/95/23/822689523.db2.gz QZTSODYAYOHMLZ-QGZVFWFLSA-N 1 1 386.923 4.156 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000180521748 822695591 /nfs/dbraw/zinc/69/55/91/822695591.db2.gz LDFYISUMWWJNQL-INIZCTEOSA-N 1 1 382.489 4.216 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000180521748 822695593 /nfs/dbraw/zinc/69/55/93/822695593.db2.gz LDFYISUMWWJNQL-INIZCTEOSA-N 1 1 382.489 4.216 20 0 GIADMO CN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000455678058 822698496 /nfs/dbraw/zinc/69/84/96/822698496.db2.gz WPFJERMUIUQWCT-GGAORHGYSA-N 1 1 393.531 4.319 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccccc2N(C)C)cc1OC ZINC000180543492 822699327 /nfs/dbraw/zinc/69/93/27/822699327.db2.gz UUGJNEXJGPVDEK-ZDUSSCGKSA-N 1 1 393.325 4.383 20 0 GIADMO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1cccc(-c2ccccn2)c1)c1cccs1 ZINC000180545184 822699717 /nfs/dbraw/zinc/69/97/17/822699717.db2.gz CBIVSUUCTQNPAP-CTNGQTDRSA-N 1 1 380.513 4.135 20 0 GIADMO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1cccc(-c2ccccn2)c1)c1cccs1 ZINC000180545184 822699718 /nfs/dbraw/zinc/69/97/18/822699718.db2.gz CBIVSUUCTQNPAP-CTNGQTDRSA-N 1 1 380.513 4.135 20 0 GIADMO Cc1csc([C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C(F)(F)F)n1 ZINC000455682437 822699907 /nfs/dbraw/zinc/69/99/07/822699907.db2.gz CJMLKJBPKRTHNZ-UONOGXRCSA-N 1 1 392.491 4.009 20 0 GIADMO COc1cccc(CN(C)C(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180554772 822701380 /nfs/dbraw/zinc/70/13/80/822701380.db2.gz BYRQLWLAGGPITA-GOSISDBHSA-N 1 1 398.400 4.076 20 0 GIADMO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180572755 822704754 /nfs/dbraw/zinc/70/47/54/822704754.db2.gz VXGVAGUDDNPBOC-SUMWQHHRSA-N 1 1 398.400 4.295 20 0 GIADMO C[N@H+]1CCCC[C@H]1CCSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000049775693 822708886 /nfs/dbraw/zinc/70/88/86/822708886.db2.gz FYNTUCDYSALMMP-FQEVSTJZSA-N 1 1 393.560 4.355 20 0 GIADMO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184906162 822711091 /nfs/dbraw/zinc/71/10/91/822711091.db2.gz CIJDYJUWCVWSNX-DOTOQJQBSA-N 1 1 386.879 4.394 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180616580 822713281 /nfs/dbraw/zinc/71/32/81/822713281.db2.gz SQJDYLZHMFQWNI-JOCHJYFZSA-N 1 1 390.531 4.009 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)cc1Cl ZINC000184921784 822713601 /nfs/dbraw/zinc/71/36/01/822713601.db2.gz OQFJPHIDOYKPEH-ZDUSSCGKSA-N 1 1 399.343 4.384 20 0 GIADMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C2CC2)n1 ZINC000455722119 822713673 /nfs/dbraw/zinc/71/36/73/822713673.db2.gz XKLSAXRPCFJQMQ-RXVVDRJESA-N 1 1 377.532 4.393 20 0 GIADMO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000050032314 822715246 /nfs/dbraw/zinc/71/52/46/822715246.db2.gz UASYXSPAEZMGSB-LJQANCHMSA-N 1 1 379.504 4.194 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCC3)CC1 ZINC000455733870 822716580 /nfs/dbraw/zinc/71/65/80/822716580.db2.gz PAHHOECAIUYOIF-QHCPKHFHSA-N 1 1 392.547 4.479 20 0 GIADMO Cc1sc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)nc1-c1ccc(Cl)cc1 ZINC000184944996 822716691 /nfs/dbraw/zinc/71/66/91/822716691.db2.gz LVUQGMMQEQNCHV-BLLLJJGKSA-N 1 1 377.941 4.432 20 0 GIADMO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1nc(-c2ccc(Br)cc2)cs1 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Fc1cccc(C[N@H+](Cc2cc(F)cc3c2OCOC3)C[C@H]2CCCO2)c1 ZINC000050963755 822743423 /nfs/dbraw/zinc/74/34/23/822743423.db2.gz XBLALINNEIUWHW-HXUWFJFHSA-N 1 1 375.415 4.013 20 0 GIADMO CCSCc1ccc(NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000455896567 822744282 /nfs/dbraw/zinc/74/42/82/822744282.db2.gz OBEUPOYEPOEVBI-FQEVSTJZSA-N 1 1 398.576 4.321 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000051056891 822745193 /nfs/dbraw/zinc/74/51/93/822745193.db2.gz HRSZMLVAFVNEGM-CABCVRRESA-N 1 1 377.579 4.388 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000051056891 822745194 /nfs/dbraw/zinc/74/51/94/822745194.db2.gz HRSZMLVAFVNEGM-CABCVRRESA-N 1 1 377.579 4.388 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)c1ccc(F)cc1O ZINC000185180229 822746084 /nfs/dbraw/zinc/74/60/84/822746084.db2.gz HTUHLDJKHKCSON-GHMZBOCLSA-N 1 1 396.256 4.477 20 0 GIADMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051120067 822746581 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YQBVIAGLBLCVBH-JBYIUTFZSA-N 1 1 394.519 4.090 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)c2cccnc12 ZINC000051423381 822759421 /nfs/dbraw/zinc/75/94/21/822759421.db2.gz IVOUNWYAAJVUAI-UHFFFAOYSA-N 1 1 383.879 4.357 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(Cl)c2cccnc12 ZINC000051423381 822759422 /nfs/dbraw/zinc/75/94/22/822759422.db2.gz IVOUNWYAAJVUAI-UHFFFAOYSA-N 1 1 383.879 4.357 20 0 GIADMO CCC1(CC)C[N@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[S@]1=O ZINC000185292549 822760552 /nfs/dbraw/zinc/76/05/52/822760552.db2.gz HVPGNCKHRHGHQL-MUUNZHRXSA-N 1 1 398.572 4.305 20 0 GIADMO CCC1(CC)C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CC[S@]1=O ZINC000185292549 822760555 /nfs/dbraw/zinc/76/05/55/822760555.db2.gz HVPGNCKHRHGHQL-MUUNZHRXSA-N 1 1 398.572 4.305 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000051454321 822760610 /nfs/dbraw/zinc/76/06/10/822760610.db2.gz JPBXNHCHACDCKP-INIZCTEOSA-N 1 1 396.487 4.101 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000051454321 822760612 /nfs/dbraw/zinc/76/06/12/822760612.db2.gz JPBXNHCHACDCKP-INIZCTEOSA-N 1 1 396.487 4.101 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NCCSCc2cccc3ccccc32)CC[N@H+]1C ZINC000174274436 822761024 /nfs/dbraw/zinc/76/10/24/822761024.db2.gz RVUGQYAAZWOOND-YLJYHZDGSA-N 1 1 385.577 4.197 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCCSCc2cccc3ccccc32)CC[N@H+]1C ZINC000174274454 822761057 /nfs/dbraw/zinc/76/10/57/822761057.db2.gz RVUGQYAAZWOOND-FXAWDEMLSA-N 1 1 385.577 4.197 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C2CC2)s1 ZINC000185296053 822761216 /nfs/dbraw/zinc/76/12/16/822761216.db2.gz KXCVHHJSHBXDLV-BMIGLBTASA-N 1 1 390.509 4.268 20 0 GIADMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc([C@@H](C)C(F)(F)F)cc3)CC2)c1 ZINC000455982391 822761436 /nfs/dbraw/zinc/76/14/36/822761436.db2.gz LLQIHTNWFBFMOT-OAHLLOKOSA-N 1 1 377.410 4.018 20 0 GIADMO O=C(Nc1ccc2cnccc2c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000455985251 822761770 /nfs/dbraw/zinc/76/17/70/822761770.db2.gz SRMMRLKARLRXDO-UHFFFAOYSA-N 1 1 378.451 4.114 20 0 GIADMO O=C(Nc1ccc2cnccc2c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000455985251 822761773 /nfs/dbraw/zinc/76/17/73/822761773.db2.gz SRMMRLKARLRXDO-UHFFFAOYSA-N 1 1 378.451 4.114 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1ccc(C)cc1 ZINC000174280917 822762345 /nfs/dbraw/zinc/76/23/45/822762345.db2.gz DWVZOGHDVWCXOM-SFHVURJKSA-N 1 1 380.410 4.008 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1ccc(C)cc1 ZINC000174280917 822762346 /nfs/dbraw/zinc/76/23/46/822762346.db2.gz DWVZOGHDVWCXOM-SFHVURJKSA-N 1 1 380.410 4.008 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)[C@@H](CO)CC(C)C)cs2)cc1OC ZINC000185315257 822764526 /nfs/dbraw/zinc/76/45/26/822764526.db2.gz FAIIHWIUIFDNET-QGZVFWFLSA-N 1 1 378.538 4.056 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(OCc3ccccc3F)cc2)CC[N@H+]1C ZINC000185317879 822765105 /nfs/dbraw/zinc/76/51/05/822765105.db2.gz VYOULKNBFOSECS-PXNSSMCTSA-N 1 1 399.510 4.029 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C2CC2)s1 ZINC000185319354 822765306 /nfs/dbraw/zinc/76/53/06/822765306.db2.gz SJHSXQQTGBBOBS-SJCJKPOMSA-N 1 1 395.931 4.332 20 0 GIADMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000185322320 822765737 /nfs/dbraw/zinc/76/57/37/822765737.db2.gz XMNPCOHAUQTLER-QVKFZJNVSA-N 1 1 386.923 4.314 20 0 GIADMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000185322275 822765855 /nfs/dbraw/zinc/76/58/55/822765855.db2.gz XMNPCOHAUQTLER-BTYIYWSLSA-N 1 1 386.923 4.314 20 0 GIADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1(C2CCC2)CCC1 ZINC000456029448 822768504 /nfs/dbraw/zinc/76/85/04/822768504.db2.gz JLYJAYWUMLUUOQ-JOCHJYFZSA-N 1 1 396.575 4.002 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C2CC2)s1 ZINC000185354990 822770341 /nfs/dbraw/zinc/77/03/41/822770341.db2.gz WJYORLHNAKQSAN-RTBURBONSA-N 1 1 375.513 4.145 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C2CC2)s1 ZINC000185359457 822771036 /nfs/dbraw/zinc/77/10/36/822771036.db2.gz XZMZQVSSEXZGMN-BMIGLBTASA-N 1 1 394.884 4.081 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)C2CC2)s1 ZINC000185366094 822772762 /nfs/dbraw/zinc/77/27/62/822772762.db2.gz DPVOTONJIYHLAF-IAQYHMDHSA-N 1 1 381.448 4.121 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185371271 822773772 /nfs/dbraw/zinc/77/37/72/822773772.db2.gz QZLQSNKHOIBMED-QGZVFWFLSA-N 1 1 379.913 4.101 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000185375409 822774463 /nfs/dbraw/zinc/77/44/63/822774463.db2.gz HJRNMPZOPHDKAK-QFIPXVFZSA-N 1 1 396.535 4.232 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C2CC2)s1 ZINC000185376217 822774690 /nfs/dbraw/zinc/77/46/90/822774690.db2.gz RDYRCAUNPCKQTL-CVEARBPZSA-N 1 1 379.888 4.090 20 0 GIADMO C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174345751 822775872 /nfs/dbraw/zinc/77/58/72/822775872.db2.gz XWBUUNXKWUKTDC-IBGZPJMESA-N 1 1 392.547 4.470 20 0 GIADMO C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000174380076 822781035 /nfs/dbraw/zinc/78/10/35/822781035.db2.gz OPLZOWSVULZDIV-WMZHIEFXSA-N 1 1 388.515 4.277 20 0 GIADMO COc1ccc(-c2nc(CN3CC[NH+]([C@@H](C)c4ccsc4)CC3)co2)cc1 ZINC000185442007 822784363 /nfs/dbraw/zinc/78/43/63/822784363.db2.gz FDGJUTBPSOHXOA-INIZCTEOSA-N 1 1 383.517 4.291 20 0 GIADMO CN(Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402477 822784984 /nfs/dbraw/zinc/78/49/84/822784984.db2.gz KBZBYGLGCKEKRK-GOSISDBHSA-N 1 1 396.922 4.344 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Oc3ccccc3)cc2)on1 ZINC000052009255 822786788 /nfs/dbraw/zinc/78/67/88/822786788.db2.gz KFXGEONBFFBECV-PGRDOPGGSA-N 1 1 394.471 4.352 20 0 GIADMO CC(C)n1ncc2cc(CN3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)cnc21 ZINC000174432083 822789339 /nfs/dbraw/zinc/78/93/39/822789339.db2.gz KXYZJXIYCYRQPL-LJQANCHMSA-N 1 1 377.536 4.109 20 0 GIADMO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(Br)cc4nc[nH]c43)ccc21 ZINC000456255037 822790621 /nfs/dbraw/zinc/79/06/21/822790621.db2.gz AYVYYVPHOQPWQR-QGZVFWFLSA-N 1 1 399.292 4.127 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)C1 ZINC000174448377 822791020 /nfs/dbraw/zinc/79/10/20/822791020.db2.gz FWFRWKQGIGXQAT-HNAYVOBHSA-N 1 1 395.494 4.039 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](CC2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000185506859 822791673 /nfs/dbraw/zinc/79/16/73/822791673.db2.gz PRMTYQIJRVGRGU-TVRKMHQQSA-N 1 1 382.470 4.497 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000174452419 822791756 /nfs/dbraw/zinc/79/17/56/822791756.db2.gz JFIQPYGOWYODPZ-UHFFFAOYSA-N 1 1 387.483 4.455 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000052209932 822793091 /nfs/dbraw/zinc/79/30/91/822793091.db2.gz FTGXTQARPMBKAI-UHFFFAOYSA-N 1 1 385.474 4.088 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000052217761 822793323 /nfs/dbraw/zinc/79/33/23/822793323.db2.gz YFLJSLSTUZLOSJ-CQSZACIVSA-N 1 1 380.319 4.476 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000052217761 822793324 /nfs/dbraw/zinc/79/33/24/822793324.db2.gz YFLJSLSTUZLOSJ-CQSZACIVSA-N 1 1 380.319 4.476 20 0 GIADMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000052237882 822793806 /nfs/dbraw/zinc/79/38/06/822793806.db2.gz BXONEXBXFUVOSV-UHFFFAOYSA-N 1 1 392.890 4.368 20 0 GIADMO CCOc1ccc(Oc2ccccc2NC(=O)NCCn2cc[nH+]c2C)cc1 ZINC000052232074 822793900 /nfs/dbraw/zinc/79/39/00/822793900.db2.gz WKRIFWIQJKDMRI-UHFFFAOYSA-N 1 1 380.448 4.204 20 0 GIADMO Cc1c(COc2ccccc2)cccc1NC(=O)CCCC[NH+]1CCOCC1 ZINC000174470904 822794706 /nfs/dbraw/zinc/79/47/06/822794706.db2.gz IIGHRKWUPWIUPQ-UHFFFAOYSA-N 1 1 382.504 4.015 20 0 GIADMO C[C@@H](CCc1ccccc1)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174483552 822795596 /nfs/dbraw/zinc/79/55/96/822795596.db2.gz HYVZOIAXAZUWNN-NZQKXSOJSA-N 1 1 379.548 4.171 20 0 GIADMO CCNC(=O)COc1ccc(CNc2cc[nH+]c3cc(Cl)ccc23)cc1OC ZINC000052314072 822795942 /nfs/dbraw/zinc/79/59/42/822795942.db2.gz HGWWHHXAZALCME-UHFFFAOYSA-N 1 1 399.878 4.024 20 0 GIADMO COc1cccc(-c2ccc(CNC(=O)NC[C@H](C)Cn3cc[nH+]c3C)cc2)c1 ZINC000174500981 822797471 /nfs/dbraw/zinc/79/74/71/822797471.db2.gz CEVJNLQAALCGAH-KRWDZBQOSA-N 1 1 392.503 4.003 20 0 GIADMO Cc1cc(C)c(C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(F)(F)F)c(C)c1 ZINC000456325430 822798595 /nfs/dbraw/zinc/79/85/95/822798595.db2.gz DDWLLDXPUQAYAG-RGPMPMONSA-N 1 1 382.470 4.074 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000052412130 822798587 /nfs/dbraw/zinc/79/85/87/822798587.db2.gz PGEXMWKPJRFHKI-KRWDZBQOSA-N 1 1 398.934 4.454 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)[C@H](C)c2ccccc2OC)c1 ZINC000052429976 822799273 /nfs/dbraw/zinc/79/92/73/822799273.db2.gz ZUIHLSCSIHOMFG-DYESRHJHSA-N 1 1 382.504 4.060 20 0 GIADMO C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCN1C ZINC000174516960 822799888 /nfs/dbraw/zinc/79/98/88/822799888.db2.gz BJGZHSHSGRNPJF-UTKZUKDTSA-N 1 1 378.495 4.251 20 0 GIADMO C[C@@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000174516960 822799891 /nfs/dbraw/zinc/79/98/91/822799891.db2.gz BJGZHSHSGRNPJF-UTKZUKDTSA-N 1 1 378.495 4.251 20 0 GIADMO C[C@@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000174516960 822799894 /nfs/dbraw/zinc/79/98/94/822799894.db2.gz BJGZHSHSGRNPJF-UTKZUKDTSA-N 1 1 378.495 4.251 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000174520344 822800175 /nfs/dbraw/zinc/80/01/75/822800175.db2.gz XULLOPOCSVHPDG-KRWDZBQOSA-N 1 1 399.583 4.032 20 0 GIADMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000052466398 822800788 /nfs/dbraw/zinc/80/07/88/822800788.db2.gz FSOZHGMGVHLPIU-IBGZPJMESA-N 1 1 395.547 4.358 20 0 GIADMO C[C@@H]1CN(C(=O)c2cnc(-c3ccsc3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456351860 822801338 /nfs/dbraw/zinc/80/13/38/822801338.db2.gz XEWSAJLWSYHNBD-INIZCTEOSA-N 1 1 397.569 4.466 20 0 GIADMO C[C@@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456353124 822801551 /nfs/dbraw/zinc/80/15/51/822801551.db2.gz ZDHVEAJSCNHGMS-SFHVURJKSA-N 1 1 394.563 4.110 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000174528813 822801717 /nfs/dbraw/zinc/80/17/17/822801717.db2.gz APCMHRXEZJZMOA-LJQANCHMSA-N 1 1 377.492 4.158 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000174536600 822802614 /nfs/dbraw/zinc/80/26/14/822802614.db2.gz VTGXBZUZOWEGOZ-GOSISDBHSA-N 1 1 377.488 4.472 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000174536600 822802617 /nfs/dbraw/zinc/80/26/17/822802617.db2.gz VTGXBZUZOWEGOZ-GOSISDBHSA-N 1 1 377.488 4.472 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000174552442 822804099 /nfs/dbraw/zinc/80/40/99/822804099.db2.gz GDGUBYBDCYJRQU-HNNXBMFYSA-N 1 1 382.430 4.136 20 0 GIADMO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)n1 ZINC000174552892 822804308 /nfs/dbraw/zinc/80/43/08/822804308.db2.gz DPXNODGHDIJJPL-IRXDYDNUSA-N 1 1 380.496 4.158 20 0 GIADMO CCOc1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1OC(F)F ZINC000185637859 822805216 /nfs/dbraw/zinc/80/52/16/822805216.db2.gz UNZLCCLLOUVANN-UHFFFAOYSA-N 1 1 377.431 4.170 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc(Cl)n2)[C@@H]1c1cccs1 ZINC000185644762 822806016 /nfs/dbraw/zinc/80/60/16/822806016.db2.gz HMNNYCWKRHXEHM-BDJLRTHQSA-N 1 1 384.332 4.263 20 0 GIADMO CCn1c(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)nc2cc(F)ccc21 ZINC000185648415 822806496 /nfs/dbraw/zinc/80/64/96/822806496.db2.gz KHUAPJNYZVAEPI-LLVKDONJSA-N 1 1 397.420 4.422 20 0 GIADMO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccnc2Cl)c2ccccc2)cc1 ZINC000052662347 822806817 /nfs/dbraw/zinc/80/68/17/822806817.db2.gz ZFLOKWADPOECPP-YWZLYKJASA-N 1 1 395.890 4.450 20 0 GIADMO CCCCCNC(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000052721963 822808484 /nfs/dbraw/zinc/80/84/84/822808484.db2.gz IDGMNCUCETUDTD-KRWDZBQOSA-N 1 1 384.524 4.124 20 0 GIADMO C[C@@H](NCC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674184 822808883 /nfs/dbraw/zinc/80/88/83/822808883.db2.gz MPUZWJCWVAVYNI-HUUCEWRRSA-N 1 1 397.535 4.182 20 0 GIADMO Cc1cccc(OCc2nnc(SCC[N@H+](C)Cc3ccc(F)cc3)o2)c1 ZINC000185679463 822809456 /nfs/dbraw/zinc/80/94/56/822809456.db2.gz UXMSCFWAGGBVOF-UHFFFAOYSA-N 1 1 387.480 4.320 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCC3)cc2C)c1 ZINC000052774304 822810060 /nfs/dbraw/zinc/81/00/60/822810060.db2.gz FUJVZHGIRBYLCC-INIZCTEOSA-N 1 1 383.492 4.052 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000052803427 822811096 /nfs/dbraw/zinc/81/10/96/822811096.db2.gz SCKZHDHZSBLTKC-IBGZPJMESA-N 1 1 385.533 4.006 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000052803427 822811099 /nfs/dbraw/zinc/81/10/99/822811099.db2.gz SCKZHDHZSBLTKC-IBGZPJMESA-N 1 1 385.533 4.006 20 0 GIADMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000052804452 822811318 /nfs/dbraw/zinc/81/13/18/822811318.db2.gz QIRJQYCMNZPFBR-HNNXBMFYSA-N 1 1 399.379 4.368 20 0 GIADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000052804452 822811321 /nfs/dbraw/zinc/81/13/21/822811321.db2.gz QIRJQYCMNZPFBR-HNNXBMFYSA-N 1 1 399.379 4.368 20 0 GIADMO C[C@H]1C[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3s2)CC[N@H+]1C ZINC000456516106 822812189 /nfs/dbraw/zinc/81/21/89/822812189.db2.gz DKMOGLQPKCACSO-QRFRQXIXSA-N 1 1 393.556 4.427 20 0 GIADMO O=C(C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1)N1CCc2sccc2C1 ZINC000052823780 822812309 /nfs/dbraw/zinc/81/23/09/822812309.db2.gz ZZJSJJZNSMELTJ-UHFFFAOYSA-N 1 1 395.503 4.043 20 0 GIADMO O=C(C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1)N1CCc2sccc2C1 ZINC000052823780 822812311 /nfs/dbraw/zinc/81/23/11/822812311.db2.gz ZZJSJJZNSMELTJ-UHFFFAOYSA-N 1 1 395.503 4.043 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)[C@H](C)c1cccc(O)c1 ZINC000174613299 822812579 /nfs/dbraw/zinc/81/25/79/822812579.db2.gz GGTQUFUTBMRCLP-GFCCVEGCSA-N 1 1 395.272 4.315 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)[C@H](C)c1cccc(O)c1 ZINC000174613299 822812583 /nfs/dbraw/zinc/81/25/83/822812583.db2.gz GGTQUFUTBMRCLP-GFCCVEGCSA-N 1 1 395.272 4.315 20 0 GIADMO COc1ccccc1[C@H](CNC1CC[NH+](Cc2ccccc2)CC1)OC(C)C ZINC000185725308 822814957 /nfs/dbraw/zinc/81/49/57/822814957.db2.gz DVZAVTSPSCPIFH-DEOSSOPVSA-N 1 1 382.548 4.416 20 0 GIADMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000052909374 822814994 /nfs/dbraw/zinc/81/49/94/822814994.db2.gz OPFXRKOYPLGYEY-UHFFFAOYSA-N 1 1 391.899 4.484 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)o2)cc1 ZINC000052909387 822815048 /nfs/dbraw/zinc/81/50/48/822815048.db2.gz OBINKFNSUMUPJV-HNNXBMFYSA-N 1 1 386.496 4.095 20 0 GIADMO COc1ccccc1C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000174634627 822815466 /nfs/dbraw/zinc/81/54/66/822815466.db2.gz NRCYAGVNHSEYFO-HSZRJFAPSA-N 1 1 395.524 4.286 20 0 GIADMO C[C@H](C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000456568721 822816878 /nfs/dbraw/zinc/81/68/78/822816878.db2.gz GKAPBUOVDWDGGG-VHDGCEQUSA-N 1 1 396.375 4.239 20 0 GIADMO C[C@@H](NCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751781 822817598 /nfs/dbraw/zinc/81/75/98/822817598.db2.gz PFBSRMFQWRTWGM-KGLIPLIRSA-N 1 1 384.351 4.175 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174649836 822817691 /nfs/dbraw/zinc/81/76/91/822817691.db2.gz BAQQCNWYZJCKDA-QHCPKHFHSA-N 1 1 395.524 4.286 20 0 GIADMO C[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751940 822817704 /nfs/dbraw/zinc/81/77/04/822817704.db2.gz UGFOIUUYCMUXQO-KBPBESRZSA-N 1 1 384.351 4.175 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc2c(Br)ccnc12 ZINC000456583564 822818139 /nfs/dbraw/zinc/81/81/39/822818139.db2.gz MANFXASNQDIRSJ-UHFFFAOYSA-N 1 1 387.281 4.346 20 0 GIADMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000174655687 822818829 /nfs/dbraw/zinc/81/88/29/822818829.db2.gz QLELZGQTKZNRMC-SFHVURJKSA-N 1 1 381.501 4.471 20 0 GIADMO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765227 822818980 /nfs/dbraw/zinc/81/89/80/822818980.db2.gz UGPCVDNQWLNSNO-ZIAGYGMSSA-N 1 1 384.351 4.175 20 0 GIADMO CC[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@H](C)c1ccc(F)cc1 ZINC000053088711 822821185 /nfs/dbraw/zinc/82/11/85/822821185.db2.gz CSXZZRVDXBSQQP-MRXNPFEDSA-N 1 1 379.479 4.275 20 0 GIADMO Cc1oc2ccccc2c1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000185789634 822821485 /nfs/dbraw/zinc/82/14/85/822821485.db2.gz VQIMFTUCYBPLJR-CALCHBBNSA-N 1 1 384.520 4.093 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H](C)CSc2ccc(C)cc2)cs1)C1CC1 ZINC000185798786 822822126 /nfs/dbraw/zinc/82/21/26/822822126.db2.gz AVDCMYRLEPRWGN-AWEZNQCLSA-N 1 1 375.563 4.237 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+](Cc3ccco3)C3CCCC3)cc(=O)oc2c1 ZINC000053140097 822823393 /nfs/dbraw/zinc/82/33/93/822823393.db2.gz QFBVUKWOVTURNJ-UHFFFAOYSA-N 1 1 380.444 4.289 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCCCOC2CCCCC2)[C@@H]1c1cccs1 ZINC000174698491 822824981 /nfs/dbraw/zinc/82/49/81/822824981.db2.gz XMDXUNRAQHOWLX-FXAWDEMLSA-N 1 1 393.597 4.170 20 0 GIADMO CCCc1noc(CCCC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000053187655 822825421 /nfs/dbraw/zinc/82/54/21/822825421.db2.gz GXQXQYMNFCYKKV-SFHVURJKSA-N 1 1 398.551 4.036 20 0 GIADMO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1[O-] ZINC000185870340 822828686 /nfs/dbraw/zinc/82/86/86/822828686.db2.gz FHRRFRREGUXNDW-AWEZNQCLSA-N 1 1 390.325 4.117 20 0 GIADMO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000185892576 822830520 /nfs/dbraw/zinc/83/05/20/822830520.db2.gz JKPRQGFVMBFCAT-UHFFFAOYSA-N 1 1 375.557 4.060 20 0 GIADMO CCCc1noc(CCCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000053359840 822831596 /nfs/dbraw/zinc/83/15/96/822831596.db2.gz CMTQJLUERKGGSK-GOSISDBHSA-N 1 1 398.551 4.036 20 0 GIADMO COc1cccc(C[N@@H+](CCC(=O)Nc2ccccc2C)C[C@H]2CCCO2)c1 ZINC000174753184 822832506 /nfs/dbraw/zinc/83/25/06/822832506.db2.gz LHRHHBHGYCPNII-OAQYLSRUSA-N 1 1 382.504 4.013 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N2CCCC3(CC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185910918 822832567 /nfs/dbraw/zinc/83/25/67/822832567.db2.gz CEVUOBNWUKRKBQ-QAPCUYQASA-N 1 1 379.907 4.058 20 0 GIADMO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000185931668 822834784 /nfs/dbraw/zinc/83/47/84/822834784.db2.gz VVOZYNSKBUVAAT-MRXNPFEDSA-N 1 1 391.357 4.298 20 0 GIADMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000185931668 822834785 /nfs/dbraw/zinc/83/47/85/822834785.db2.gz VVOZYNSKBUVAAT-MRXNPFEDSA-N 1 1 391.357 4.298 20 0 GIADMO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCC[N@@H+](C)Cc2ccccc2)s1 ZINC000174783625 822836655 /nfs/dbraw/zinc/83/66/55/822836655.db2.gz GFSDEMXYTUXDIK-QGZVFWFLSA-N 1 1 388.581 4.238 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000174789084 822837151 /nfs/dbraw/zinc/83/71/51/822837151.db2.gz BSCOVEPARAPQSA-UHFFFAOYSA-N 1 1 386.540 4.241 20 0 GIADMO Cc1csc([C@H](NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C2CC2)n1 ZINC000174797959 822838519 /nfs/dbraw/zinc/83/85/19/822838519.db2.gz BYVVSLLIPWUVPV-LJQANCHMSA-N 1 1 398.576 4.039 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=S)Nc1c(C)cc(C)cc1Cl ZINC000053522477 822838592 /nfs/dbraw/zinc/83/85/92/822838592.db2.gz AXZCEWSUCHTEAY-UHFFFAOYSA-N 1 1 385.924 4.333 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccco1 ZINC000053524977 822838901 /nfs/dbraw/zinc/83/89/01/822838901.db2.gz DLNGRTQNTFAUEN-QGZVFWFLSA-N 1 1 398.532 4.081 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cn1 ZINC000053546094 822840201 /nfs/dbraw/zinc/84/02/01/822840201.db2.gz ZPEPWEZOSAEAHB-UHFFFAOYSA-N 1 1 379.423 4.367 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc(Br)c1OC ZINC000185977924 822840205 /nfs/dbraw/zinc/84/02/05/822840205.db2.gz MQDAXSVPSHSGCG-JTQLQIEISA-N 1 1 384.245 4.162 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NCC2(Sc3ccccc3)CCCC2)CC[N@H+]1C ZINC000174822487 822842104 /nfs/dbraw/zinc/84/21/04/822842104.db2.gz BBNUWFSYFBLBHX-QZTJIDSGSA-N 1 1 375.582 4.216 20 0 GIADMO Cc1noc(C2CC[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC2)n1 ZINC000053641374 822843544 /nfs/dbraw/zinc/84/35/44/822843544.db2.gz NEMIYPZXQWVCOJ-UHFFFAOYSA-N 1 1 388.556 4.051 20 0 GIADMO COc1ccccc1Oc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000174834628 822843703 /nfs/dbraw/zinc/84/37/03/822843703.db2.gz STSGJQSXNZRXTC-PKOBYXMFSA-N 1 1 397.519 4.112 20 0 GIADMO C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000053681460 822844722 /nfs/dbraw/zinc/84/47/22/822844722.db2.gz VOUKPFHEQHEVOQ-CYBMUJFWSA-N 1 1 382.291 4.116 20 0 GIADMO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3c3ccc(Br)cc3)cc(=O)n2c1 ZINC000053714307 822845531 /nfs/dbraw/zinc/84/55/31/822845531.db2.gz XTDCKIVKYLVZPU-SFHVURJKSA-N 1 1 398.304 4.103 20 0 GIADMO Cc1ccc2nc(C[N@H+]3CCC[C@H]3c3ccc(Br)cc3)cc(=O)n2c1 ZINC000053714307 822845535 /nfs/dbraw/zinc/84/55/35/822845535.db2.gz XTDCKIVKYLVZPU-SFHVURJKSA-N 1 1 398.304 4.103 20 0 GIADMO CCCOc1cccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174848681 822846052 /nfs/dbraw/zinc/84/60/52/822846052.db2.gz LBSTZGCTWPLZBY-FQEVSTJZSA-N 1 1 381.520 4.461 20 0 GIADMO CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000053718814 822846081 /nfs/dbraw/zinc/84/60/81/822846081.db2.gz XZWHNGZLLRDQOC-QFIPXVFZSA-N 1 1 384.495 4.204 20 0 GIADMO CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000053718814 822846085 /nfs/dbraw/zinc/84/60/85/822846085.db2.gz XZWHNGZLLRDQOC-QFIPXVFZSA-N 1 1 384.495 4.204 20 0 GIADMO COc1ccc(COCC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000053722202 822846225 /nfs/dbraw/zinc/84/62/25/822846225.db2.gz IMSVQZDYOFLGCT-SFHVURJKSA-N 1 1 382.504 4.225 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1 ZINC000053721965 822846235 /nfs/dbraw/zinc/84/62/35/822846235.db2.gz ZJFIHMSCNYCUJJ-MRXNPFEDSA-N 1 1 376.460 4.363 20 0 GIADMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000174855940 822846961 /nfs/dbraw/zinc/84/69/61/822846961.db2.gz BXBHCSWJZIPISL-CABCVRRESA-N 1 1 397.466 4.394 20 0 GIADMO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000174855940 822846965 /nfs/dbraw/zinc/84/69/65/822846965.db2.gz BXBHCSWJZIPISL-CABCVRRESA-N 1 1 397.466 4.394 20 0 GIADMO CC1(C)CCC[N@H+]1CCNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000457052240 822848367 /nfs/dbraw/zinc/84/83/67/822848367.db2.gz IZBRQDOXDDCNQU-UHFFFAOYSA-N 1 1 377.337 4.008 20 0 GIADMO CC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000053811359 822849027 /nfs/dbraw/zinc/84/90/27/822849027.db2.gz LSENKOUMXDPYNO-INIZCTEOSA-N 1 1 397.494 4.089 20 0 GIADMO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(NC(C)=O)c2)CC[C@@H]1c1ccccc1 ZINC000174886276 822850931 /nfs/dbraw/zinc/85/09/31/822850931.db2.gz FAXTXDJZACGHEX-GCJKJVERSA-N 1 1 379.504 4.099 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H](C(C)C)CC3)CC2)cs1 ZINC000186115940 822852876 /nfs/dbraw/zinc/85/28/76/822852876.db2.gz QZYPFRHWECXLCK-IEBWSBKVSA-N 1 1 377.598 4.385 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2csc(-c3ccccc3F)n2)C1 ZINC000457095758 822853003 /nfs/dbraw/zinc/85/30/03/822853003.db2.gz QETGOXZLMSUVRJ-OAHLLOKOSA-N 1 1 389.540 4.168 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457100553 822853287 /nfs/dbraw/zinc/85/32/87/822853287.db2.gz WSBXZQGFZHHNHF-MRXNPFEDSA-N 1 1 395.425 4.224 20 0 GIADMO CCc1onc(-c2ccccc2Cl)c1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457101023 822853306 /nfs/dbraw/zinc/85/33/06/822853306.db2.gz XNTFVDJOLHELAZ-AWEZNQCLSA-N 1 1 375.900 4.112 20 0 GIADMO OCCC[N@H+](Cc1csc(-c2ccccn2)n1)[C@H]1CCCc2ccccc21 ZINC000174908655 822854239 /nfs/dbraw/zinc/85/42/39/822854239.db2.gz WCQSLMGLAYBCMR-NRFANRHFSA-N 1 1 379.529 4.467 20 0 GIADMO OCCC[N@@H+](Cc1csc(-c2ccccn2)n1)[C@H]1CCCc2ccccc21 ZINC000174908655 822854242 /nfs/dbraw/zinc/85/42/42/822854242.db2.gz WCQSLMGLAYBCMR-NRFANRHFSA-N 1 1 379.529 4.467 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000457113156 822854503 /nfs/dbraw/zinc/85/45/03/822854503.db2.gz JSBSYFNWBMBKCN-INIZCTEOSA-N 1 1 398.551 4.244 20 0 GIADMO Cc1oc2ccccc2c1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000186135598 822854550 /nfs/dbraw/zinc/85/45/50/822854550.db2.gz ZXHNODXTGQMHES-SFTDATJTSA-N 1 1 397.563 4.150 20 0 GIADMO Cc1ccc(-c2nc(C(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)o1 ZINC000174919361 822856034 /nfs/dbraw/zinc/85/60/34/822856034.db2.gz AWFRTUXKEXSSEY-GOSISDBHSA-N 1 1 395.528 4.306 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1nc2ccccc2s1 ZINC000174924188 822856805 /nfs/dbraw/zinc/85/68/05/822856805.db2.gz BXQLJOXSXSARHD-TZZQJPOUSA-N 1 1 391.540 4.290 20 0 GIADMO COc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000174937791 822858309 /nfs/dbraw/zinc/85/83/09/822858309.db2.gz XMDYITCCMMQQGJ-HXUWFJFHSA-N 1 1 388.511 4.443 20 0 GIADMO C[N@@H+](CCCCNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1CC1 ZINC000457167197 822858408 /nfs/dbraw/zinc/85/84/08/822858408.db2.gz LVYZBJNTDQQXSK-UHFFFAOYSA-N 1 1 388.861 4.381 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1Cl ZINC000186180798 822858441 /nfs/dbraw/zinc/85/84/41/822858441.db2.gz WKEFCOQGJSAOAV-GFCCVEGCSA-N 1 1 387.332 4.095 20 0 GIADMO Cc1c(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)[nH]c2c1C(=O)CCC2 ZINC000054011008 822858529 /nfs/dbraw/zinc/85/85/29/822858529.db2.gz KSDJNTLAVZOTKY-UHFFFAOYSA-N 1 1 390.487 4.463 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c1 ZINC000054011675 822858661 /nfs/dbraw/zinc/85/86/61/822858661.db2.gz SBLXMAHVYDGSKP-LJQANCHMSA-N 1 1 396.535 4.030 20 0 GIADMO C[N@@H+](CCCCNC(=O)c1cc(C(F)(F)F)ccc1Br)C1CC1 ZINC000457170527 822858726 /nfs/dbraw/zinc/85/87/26/822858726.db2.gz REYCYHMWJCGIPS-UHFFFAOYSA-N 1 1 393.247 4.072 20 0 GIADMO Cc1[nH]c2c(cccc2C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1C ZINC000054012373 822858945 /nfs/dbraw/zinc/85/89/45/822858945.db2.gz KQURLPAKRYNELI-UHFFFAOYSA-N 1 1 376.504 4.179 20 0 GIADMO COc1ccc([C@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000054020175 822859029 /nfs/dbraw/zinc/85/90/29/822859029.db2.gz UKBRSRLNHNIWDP-HSZRJFAPSA-N 1 1 393.531 4.064 20 0 GIADMO CC[C@H](C)C[N@H+](CC)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000174945166 822859248 /nfs/dbraw/zinc/85/92/48/822859248.db2.gz ZZRXFYDAWVRJTD-INIZCTEOSA-N 1 1 385.537 4.443 20 0 GIADMO CC[C@H](C)C[N@@H+](CC)Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000174945166 822859250 /nfs/dbraw/zinc/85/92/50/822859250.db2.gz ZZRXFYDAWVRJTD-INIZCTEOSA-N 1 1 385.537 4.443 20 0 GIADMO CN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174946782 822859620 /nfs/dbraw/zinc/85/96/20/822859620.db2.gz RFFPCHBBIRRSRE-DEOSSOPVSA-N 1 1 391.559 4.019 20 0 GIADMO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174946782 822859621 /nfs/dbraw/zinc/85/96/21/822859621.db2.gz RFFPCHBBIRRSRE-DEOSSOPVSA-N 1 1 391.559 4.019 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174946782 822859623 /nfs/dbraw/zinc/85/96/23/822859623.db2.gz RFFPCHBBIRRSRE-DEOSSOPVSA-N 1 1 391.559 4.019 20 0 GIADMO Cc1cc(-c2cc(C(=O)NCCCC[N@H+](C)C3CC3)c3c(C)noc3n2)c(C)o1 ZINC000457194472 822859922 /nfs/dbraw/zinc/85/99/22/822859922.db2.gz FBJOEZUXXZMDHM-UHFFFAOYSA-N 1 1 396.491 4.012 20 0 GIADMO COc1ccccc1[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174950362 822859983 /nfs/dbraw/zinc/85/99/83/822859983.db2.gz OPLHQPRPTSLYEA-CTNGQTDRSA-N 1 1 380.532 4.169 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457201913 822860399 /nfs/dbraw/zinc/86/03/99/822860399.db2.gz MPFUSFGZZGDLSZ-UHFFFAOYSA-N 1 1 387.549 4.188 20 0 GIADMO C[N@@H+](CCCCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)C1CC1 ZINC000457204906 822860596 /nfs/dbraw/zinc/86/05/96/822860596.db2.gz QBOBAUPLRQWREK-UHFFFAOYSA-N 1 1 383.970 4.058 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c2ccccc12 ZINC000174957796 822861148 /nfs/dbraw/zinc/86/11/48/822861148.db2.gz AWQIKESHOLGVKX-FQEVSTJZSA-N 1 1 375.516 4.081 20 0 GIADMO CC(=O)Nc1cccc(Nc2nn(C[N@H+]3CC[C@@H](C)[C@H]3C)c(=S)s2)c1 ZINC000174962442 822862018 /nfs/dbraw/zinc/86/20/18/822862018.db2.gz SMYPKQJGZMGOQE-VXGBXAGGSA-N 1 1 377.539 4.064 20 0 GIADMO CC(=O)Nc1cccc(Nc2nn(C[N@@H+]3CC[C@@H](C)[C@H]3C)c(=S)s2)c1 ZINC000174962442 822862022 /nfs/dbraw/zinc/86/20/22/822862022.db2.gz SMYPKQJGZMGOQE-VXGBXAGGSA-N 1 1 377.539 4.064 20 0 GIADMO COc1cc(C2(C(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C ZINC000174970806 822862773 /nfs/dbraw/zinc/86/27/73/822862773.db2.gz HSAYXKVZSITOMQ-NRFANRHFSA-N 1 1 392.543 4.016 20 0 GIADMO O=C(Nc1cccc(Oc2cnccn2)c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000174976384 822863349 /nfs/dbraw/zinc/86/33/49/822863349.db2.gz FKURSJYTCSKMPN-HXUWFJFHSA-N 1 1 392.434 4.011 20 0 GIADMO O=C(Nc1cccc(Oc2cnccn2)c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000174976384 822863352 /nfs/dbraw/zinc/86/33/52/822863352.db2.gz FKURSJYTCSKMPN-HXUWFJFHSA-N 1 1 392.434 4.011 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000054164752 822864711 /nfs/dbraw/zinc/86/47/11/822864711.db2.gz GBENDPQKQJDHMF-UHFFFAOYSA-N 1 1 396.450 4.130 20 0 GIADMO Cc1ccc(C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c2ccccn2)cc1 ZINC000174999526 822865539 /nfs/dbraw/zinc/86/55/39/822865539.db2.gz GPIMGVHQPMVBQS-GMAHTHKFSA-N 1 1 394.563 4.190 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000054172827 822865726 /nfs/dbraw/zinc/86/57/26/822865726.db2.gz RQLVCMZJCPYFOO-SFHVURJKSA-N 1 1 375.398 4.168 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000054181756 822866439 /nfs/dbraw/zinc/86/64/39/822866439.db2.gz CPTYQNURRDXZEM-INIZCTEOSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000054181756 822866442 /nfs/dbraw/zinc/86/64/42/822866442.db2.gz CPTYQNURRDXZEM-INIZCTEOSA-N 1 1 396.878 4.241 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000186261813 822866427 /nfs/dbraw/zinc/86/64/27/822866427.db2.gz YDHRSIVJCVHVRZ-LJQANCHMSA-N 1 1 382.895 4.481 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000186261813 822866431 /nfs/dbraw/zinc/86/64/31/822866431.db2.gz YDHRSIVJCVHVRZ-LJQANCHMSA-N 1 1 382.895 4.481 20 0 GIADMO C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186268375 822867526 /nfs/dbraw/zinc/86/75/26/822867526.db2.gz KGEYYBRHGUMPQU-VGSWGCGISA-N 1 1 381.520 4.005 20 0 GIADMO CC[N@H+](C)[C@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1ccccc1 ZINC000457334550 822867754 /nfs/dbraw/zinc/86/77/54/822867754.db2.gz WAMOJTKPJKUIGR-IBGZPJMESA-N 1 1 391.437 4.196 20 0 GIADMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1ccccc1 ZINC000457334550 822867756 /nfs/dbraw/zinc/86/77/56/822867756.db2.gz WAMOJTKPJKUIGR-IBGZPJMESA-N 1 1 391.437 4.196 20 0 GIADMO Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000186275072 822868501 /nfs/dbraw/zinc/86/85/01/822868501.db2.gz SUBUAMTVFHSPLE-TZIWHRDSSA-N 1 1 394.906 4.009 20 0 GIADMO Cc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000186275072 822868503 /nfs/dbraw/zinc/86/85/03/822868503.db2.gz SUBUAMTVFHSPLE-TZIWHRDSSA-N 1 1 394.906 4.009 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000186282200 822869886 /nfs/dbraw/zinc/86/98/86/822869886.db2.gz JYIVWKNXPMZPLB-UHFFFAOYSA-N 1 1 389.975 4.079 20 0 GIADMO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000569014689 822869952 /nfs/dbraw/zinc/86/99/52/822869952.db2.gz LNNIVUZADOFASW-JOCHJYFZSA-N 1 1 386.971 4.119 20 0 GIADMO Cc1csc(NC(=O)C2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)n1 ZINC000054235151 822870211 /nfs/dbraw/zinc/87/02/11/822870211.db2.gz HNLICQMFQBFHOD-UHFFFAOYSA-N 1 1 388.518 4.019 20 0 GIADMO Cc1ccc([C@H]2CCCCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000175027148 822870467 /nfs/dbraw/zinc/87/04/67/822870467.db2.gz YUCCPXRQNDPCHH-LJQANCHMSA-N 1 1 382.508 4.197 20 0 GIADMO Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000175028259 822870524 /nfs/dbraw/zinc/87/05/24/822870524.db2.gz DKKAKWMXMDIINE-JXFKEZNVSA-N 1 1 396.535 4.443 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1ccc(OC(C)C)cc1Cl)[NH+](C)C ZINC000457380403 822871596 /nfs/dbraw/zinc/87/15/96/822871596.db2.gz FLCTWVWJCYIDLG-LJQANCHMSA-N 1 1 390.911 4.169 20 0 GIADMO O=c1[nH]c(CC[N@@H+]2CCC[C@H]2c2cccc(Br)c2)nc2ccccc21 ZINC000054271550 822872226 /nfs/dbraw/zinc/87/22/26/822872226.db2.gz ZWDDBRCRNXEMQQ-SFHVURJKSA-N 1 1 398.304 4.065 20 0 GIADMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c(-c2ccccc2)o1 ZINC000569040950 822872305 /nfs/dbraw/zinc/87/23/05/822872305.db2.gz IGFIBYOSBLZVRH-JXFKEZNVSA-N 1 1 375.472 4.043 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000054286837 822873439 /nfs/dbraw/zinc/87/34/39/822873439.db2.gz SFXZSEPSDFANSZ-INIZCTEOSA-N 1 1 399.560 4.241 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H](C)c4cccc(O)c43)cc2)C[C@@H](C)O1 ZINC000186302790 822873579 /nfs/dbraw/zinc/87/35/79/822873579.db2.gz SFGARGFEWKMVIC-RCCFBDPRSA-N 1 1 394.515 4.155 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000054298791 822874020 /nfs/dbraw/zinc/87/40/20/822874020.db2.gz QDDRDDOQRPKMSR-SFHVURJKSA-N 1 1 396.506 4.248 20 0 GIADMO CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186312532 822874727 /nfs/dbraw/zinc/87/47/27/822874727.db2.gz MQAWPSOSFNXZDR-HSZRJFAPSA-N 1 1 390.531 4.009 20 0 GIADMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCCc1cnn(C)c1)CC2 ZINC000054316468 822875807 /nfs/dbraw/zinc/87/58/07/822875807.db2.gz GLWDRNVKOSJOGE-DEOSSOPVSA-N 1 1 391.515 4.018 20 0 GIADMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000569068189 822876322 /nfs/dbraw/zinc/87/63/22/822876322.db2.gz IGKXFGJOXCZLIB-NRFANRHFSA-N 1 1 388.533 4.230 20 0 GIADMO CC(C)COC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000054323852 822876376 /nfs/dbraw/zinc/87/63/76/822876376.db2.gz DZIXJPAOICWPDP-CQSZACIVSA-N 1 1 388.430 4.049 20 0 GIADMO C[N@H+]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C2(CCCCC2)C1 ZINC000175067562 822876841 /nfs/dbraw/zinc/87/68/41/822876841.db2.gz WLRRVXXRJFTBJC-UHFFFAOYSA-N 1 1 377.532 4.242 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)NCCc3cccc4ccccc43)CC2)[nH+]c1 ZINC000175067526 822876857 /nfs/dbraw/zinc/87/68/57/822876857.db2.gz KQJAANMABALUMI-UHFFFAOYSA-N 1 1 388.515 4.054 20 0 GIADMO CCN(C(=O)c1cnc2onc(C(C)C)c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186332178 822877238 /nfs/dbraw/zinc/87/72/38/822877238.db2.gz BLFNAKDDWBAFSV-LJQANCHMSA-N 1 1 392.503 4.083 20 0 GIADMO C[C@@H](C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F)C1CCC1 ZINC000457470961 822878185 /nfs/dbraw/zinc/87/81/85/822878185.db2.gz VVVQOPNXLZEQSQ-HUUCEWRRSA-N 1 1 375.488 4.013 20 0 GIADMO C[C@@H](C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)C1CCC1 ZINC000457470961 822878188 /nfs/dbraw/zinc/87/81/88/822878188.db2.gz VVVQOPNXLZEQSQ-HUUCEWRRSA-N 1 1 375.488 4.013 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1C ZINC000054362092 822878334 /nfs/dbraw/zinc/87/83/34/822878334.db2.gz JGMLSCVLQUANRU-UHFFFAOYSA-N 1 1 384.545 4.224 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1C ZINC000054362092 822878336 /nfs/dbraw/zinc/87/83/36/822878336.db2.gz JGMLSCVLQUANRU-UHFFFAOYSA-N 1 1 384.545 4.224 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc(Br)co1 ZINC000457475746 822878962 /nfs/dbraw/zinc/87/89/62/822878962.db2.gz FGZKRCMQAMFKTI-UHFFFAOYSA-N 1 1 384.299 4.127 20 0 GIADMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc2ccccc2c1O ZINC000186349988 822879940 /nfs/dbraw/zinc/87/99/40/822879940.db2.gz CYXLXODHIDXLEU-OPAMFIHVSA-N 1 1 389.499 4.168 20 0 GIADMO CC(C)C(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000054384440 822880198 /nfs/dbraw/zinc/88/01/98/822880198.db2.gz SLZPLLIUMGXNNB-UWJYYQICSA-N 1 1 394.519 4.238 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 ZINC000175093872 822881228 /nfs/dbraw/zinc/88/12/28/822881228.db2.gz WRSNNKMYYPAETH-FCHUYYIVSA-N 1 1 387.483 4.082 20 0 GIADMO C[C@H](C[NH+]1CCC(C)CC1)NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000569140254 822883080 /nfs/dbraw/zinc/88/30/80/822883080.db2.gz HINNWXGRYZWMQR-LJQANCHMSA-N 1 1 381.568 4.270 20 0 GIADMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1c(C)nn(-c2ccccn2)c1C ZINC000569142175 822883496 /nfs/dbraw/zinc/88/34/96/822883496.db2.gz DWXJWVZZFBIZAS-FQEVSTJZSA-N 1 1 376.504 4.100 20 0 GIADMO Cc1cnccc1CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000186374088 822883923 /nfs/dbraw/zinc/88/39/23/822883923.db2.gz AZEDGHDIXIXARP-UHFFFAOYSA-N 1 1 380.536 4.154 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1 ZINC000175110336 822884260 /nfs/dbraw/zinc/88/42/60/822884260.db2.gz PYSMOSTYZTVHDE-UHFFFAOYSA-N 1 1 397.544 4.230 20 0 GIADMO COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+](C)C2CCCC2)cc1 ZINC000054429115 822884465 /nfs/dbraw/zinc/88/44/65/822884465.db2.gz DYYDDOLEJDBSPS-UHFFFAOYSA-N 1 1 395.503 4.151 20 0 GIADMO Cc1ccncc1CCC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000569155615 822885491 /nfs/dbraw/zinc/88/54/91/822885491.db2.gz JDHJFFBHMQICGE-IBGZPJMESA-N 1 1 380.410 4.295 20 0 GIADMO Cc1ccncc1CCC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000569155615 822885493 /nfs/dbraw/zinc/88/54/93/822885493.db2.gz JDHJFFBHMQICGE-IBGZPJMESA-N 1 1 380.410 4.295 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000186388647 822886358 /nfs/dbraw/zinc/88/63/58/822886358.db2.gz JGNUZUMHOQQQNV-KRWDZBQOSA-N 1 1 397.441 4.493 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000457531164 822886561 /nfs/dbraw/zinc/88/65/61/822886561.db2.gz LRUDEAYBINAOBY-HNNXBMFYSA-N 1 1 391.462 4.104 20 0 GIADMO COc1cc2cc[nH+]c(N[C@H]3CCN(CCCc4ccccc4)C3=O)c2cc1F ZINC000569164587 822886686 /nfs/dbraw/zinc/88/66/86/822886686.db2.gz KMGNLFOFNDYTIG-FQEVSTJZSA-N 1 1 393.462 4.028 20 0 GIADMO CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CCSc2ccc(Br)cc21 ZINC000457535924 822887481 /nfs/dbraw/zinc/88/74/81/822887481.db2.gz UKHLGYZPEHBSPP-HNNXBMFYSA-N 1 1 394.338 4.040 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)C1 ZINC000457541855 822888051 /nfs/dbraw/zinc/88/80/51/822888051.db2.gz LDNBPNFBBMSHHH-LJQANCHMSA-N 1 1 397.519 4.187 20 0 GIADMO C[C@H]1CN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[N@H+](C2CC2)C1 ZINC000457557731 822890548 /nfs/dbraw/zinc/89/05/48/822890548.db2.gz SQGJMMMIPHUDHB-DYVFJYSZSA-N 1 1 379.957 4.003 20 0 GIADMO C[C@@H]1CN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC[N@H+](C2CC2)C1 ZINC000457557733 822890641 /nfs/dbraw/zinc/89/06/41/822890641.db2.gz SQGJMMMIPHUDHB-GUYCJALGSA-N 1 1 379.957 4.003 20 0 GIADMO CC(C)c1nn(C)c2sc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)cc12 ZINC000175145565 822891446 /nfs/dbraw/zinc/89/14/46/822891446.db2.gz VXTSBQQCDIIRSH-MRXNPFEDSA-N 1 1 394.544 4.383 20 0 GIADMO CCN(CC(C)C)Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000054514144 822892174 /nfs/dbraw/zinc/89/21/74/822892174.db2.gz UAZVLHSEMHNCHS-OAHLLOKOSA-N 1 1 379.549 4.100 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCCCO2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000457609180 822897022 /nfs/dbraw/zinc/89/70/22/822897022.db2.gz XUGLLLXHHQKWMW-POAQFYNOSA-N 1 1 398.469 4.164 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000054606343 822898538 /nfs/dbraw/zinc/89/85/38/822898538.db2.gz NOMICXXUTCQSHH-IBGZPJMESA-N 1 1 395.894 4.180 20 0 GIADMO CN(C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1)C(=O)OC(C)(C)C ZINC000175180961 822899083 /nfs/dbraw/zinc/89/90/83/822899083.db2.gz CWXRQIKVROMYFR-HNNXBMFYSA-N 1 1 389.471 4.170 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1)C(=O)OC(C)(C)C ZINC000175180961 822899086 /nfs/dbraw/zinc/89/90/86/822899086.db2.gz CWXRQIKVROMYFR-HNNXBMFYSA-N 1 1 389.471 4.170 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cn1 ZINC000054625985 822900083 /nfs/dbraw/zinc/90/00/83/822900083.db2.gz YYDKEZUKBQYFSI-UHFFFAOYSA-N 1 1 382.467 4.024 20 0 GIADMO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000457641141 822900159 /nfs/dbraw/zinc/90/01/59/822900159.db2.gz CQOFTUWHOQOHRS-LJQANCHMSA-N 1 1 380.536 4.106 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)s1 ZINC000186471197 822900627 /nfs/dbraw/zinc/90/06/27/822900627.db2.gz BLDBFYBTJJHHIJ-ZDUSSCGKSA-N 1 1 383.439 4.101 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC[C@H]21 ZINC000457645543 822900752 /nfs/dbraw/zinc/90/07/52/822900752.db2.gz FWKVBNWTCYQZBG-MGPUTAFESA-N 1 1 385.895 4.084 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)CC(F)(F)F ZINC000457652730 822901752 /nfs/dbraw/zinc/90/17/52/822901752.db2.gz AUJUJBTZGXPVSY-PBHICJAKSA-N 1 1 394.441 4.166 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000186478147 822901809 /nfs/dbraw/zinc/90/18/09/822901809.db2.gz ILPIEOLTDSBHBC-QTEQDKRBSA-N 1 1 380.536 4.259 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccnc2C(F)(F)F)[C@H]1c1ccccc1 ZINC000569286623 822901755 /nfs/dbraw/zinc/90/17/55/822901755.db2.gz BKOIGCBZCDPLGC-NVXWUHKLSA-N 1 1 392.425 4.305 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1cc2ccccc2o1 ZINC000175200383 822902845 /nfs/dbraw/zinc/90/28/45/822902845.db2.gz OTMVHDMBTBAOST-FQEVSTJZSA-N 1 1 391.515 4.139 20 0 GIADMO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](c4nc(C)no4)C3)c2cc1Cl ZINC000054676994 822904919 /nfs/dbraw/zinc/90/49/19/822904919.db2.gz KQPLRFUKKCLLPH-AWEZNQCLSA-N 1 1 387.867 4.080 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)n1 ZINC000054677312 822905056 /nfs/dbraw/zinc/90/50/56/822905056.db2.gz WHZJIGHYZQMYID-LPHOPBHVSA-N 1 1 390.487 4.252 20 0 GIADMO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)C2)n1 ZINC000054677312 822905060 /nfs/dbraw/zinc/90/50/60/822905060.db2.gz WHZJIGHYZQMYID-LPHOPBHVSA-N 1 1 390.487 4.252 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000054683954 822905962 /nfs/dbraw/zinc/90/59/62/822905962.db2.gz UTZLXTMTPORDKA-INIZCTEOSA-N 1 1 397.466 4.099 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000054683954 822905963 /nfs/dbraw/zinc/90/59/63/822905963.db2.gz UTZLXTMTPORDKA-INIZCTEOSA-N 1 1 397.466 4.099 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000175216430 822906528 /nfs/dbraw/zinc/90/65/28/822906528.db2.gz QOXRSNJDLPPAQR-NRFANRHFSA-N 1 1 397.567 4.393 20 0 GIADMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCCCC[C@@H]1c1ccco1 ZINC000175217890 822907142 /nfs/dbraw/zinc/90/71/42/822907142.db2.gz RRBWMMQBXMOFLS-LEWJYISDSA-N 1 1 382.504 4.014 20 0 GIADMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCCCC[C@@H]1c1ccco1 ZINC000175217890 822907145 /nfs/dbraw/zinc/90/71/45/822907145.db2.gz RRBWMMQBXMOFLS-LEWJYISDSA-N 1 1 382.504 4.014 20 0 GIADMO O=C(CC1CCCC1)NC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175218335 822907161 /nfs/dbraw/zinc/90/71/61/822907161.db2.gz IKXHLZGOKZEMRW-UHFFFAOYSA-N 1 1 385.483 4.142 20 0 GIADMO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000186514449 822907204 /nfs/dbraw/zinc/90/72/04/822907204.db2.gz ZQZHIZJDURIMBE-WDYCEAGBSA-N 1 1 377.456 4.141 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2coc(-c3cccs3)n2)C1 ZINC000054717792 822907318 /nfs/dbraw/zinc/90/73/18/822907318.db2.gz RITOGFYRBKLSDV-WBVHZDCISA-N 1 1 396.516 4.038 20 0 GIADMO C[C@H](CCNC(=O)NCc1coc(-c2cccs2)n1)[N@@H+](C)Cc1ccccc1 ZINC000175219117 822907409 /nfs/dbraw/zinc/90/74/09/822907409.db2.gz FMRSTOFQKVWSFV-MRXNPFEDSA-N 1 1 398.532 4.113 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000569325351 822907818 /nfs/dbraw/zinc/90/78/18/822907818.db2.gz TZEWJKNSSWTAPZ-PZJWPPBQSA-N 1 1 396.512 4.182 20 0 GIADMO CCCOc1ccc(CN(Cc2ccccc2)C(=O)Cn2cc[nH+]c2C)cc1 ZINC000457702374 822908564 /nfs/dbraw/zinc/90/85/64/822908564.db2.gz ZSAJMANFVBVFLC-UHFFFAOYSA-N 1 1 377.488 4.209 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[N@@H+](C)C1CC1 ZINC000186534988 822910012 /nfs/dbraw/zinc/91/00/12/822910012.db2.gz OQEWFIDDAFMYOX-LBPRGKRZSA-N 1 1 382.382 4.058 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000054758974 822910578 /nfs/dbraw/zinc/91/05/78/822910578.db2.gz RPCINLKAIIECKC-UHFFFAOYSA-N 1 1 387.749 4.295 20 0 GIADMO C[N@@H+](CCNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1)Cc1ccccc1 ZINC000054760978 822910891 /nfs/dbraw/zinc/91/08/91/822910891.db2.gz BSRCLIPTFHVWIZ-SFHVURJKSA-N 1 1 379.426 4.111 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000457728973 822911886 /nfs/dbraw/zinc/91/18/86/822911886.db2.gz JVDZUAULPPMSNT-XPIZARPCSA-N 1 1 377.598 4.194 20 0 GIADMO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000175246895 822913182 /nfs/dbraw/zinc/91/31/82/822913182.db2.gz PHLYVYUXRFBEIA-LBFURVHYSA-N 1 1 387.568 4.109 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000457746962 822914026 /nfs/dbraw/zinc/91/40/26/822914026.db2.gz UCOYBRBUVVCCSS-GOSISDBHSA-N 1 1 385.939 4.458 20 0 GIADMO Cc1cc(Br)c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)s1 ZINC000457754410 822915074 /nfs/dbraw/zinc/91/50/74/822915074.db2.gz FUPOWCJWNVUAEN-UHFFFAOYSA-N 1 1 395.322 4.206 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)C(C)(C)Cc1ccc(Cl)cc1 ZINC000457756115 822915375 /nfs/dbraw/zinc/91/53/75/822915375.db2.gz ZFJALDHILXZEII-FPOVZHCZSA-N 1 1 399.966 4.455 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000186581334 822917020 /nfs/dbraw/zinc/91/70/20/822917020.db2.gz HTQNOAXDBYQCGO-UHFFFAOYSA-N 1 1 391.302 4.344 20 0 GIADMO CC(C)Oc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000457772348 822917481 /nfs/dbraw/zinc/91/74/81/822917481.db2.gz VXYQFXHTWFFHRB-GOSISDBHSA-N 1 1 386.923 4.379 20 0 GIADMO Cc1c2ccc(NC(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)cc2nn1C ZINC000569404684 822917902 /nfs/dbraw/zinc/91/79/02/822917902.db2.gz XUQPFTXWMKWLTN-QGZVFWFLSA-N 1 1 391.519 4.010 20 0 GIADMO C[C@@H](CC(F)(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000457784085 822919035 /nfs/dbraw/zinc/91/90/35/822919035.db2.gz GPLKZPIEPHWGGH-FFZOFVMBSA-N 1 1 390.449 4.359 20 0 GIADMO Nc1nc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)nc2sc3c(c21)CCCC3 ZINC000569417444 822919753 /nfs/dbraw/zinc/91/97/53/822919753.db2.gz LZPPYJWWUTUUFC-INIZCTEOSA-N 1 1 378.545 4.217 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000457793031 822919828 /nfs/dbraw/zinc/91/98/28/822919828.db2.gz SMCSMOFLEMGPFD-RTBURBONSA-N 1 1 393.934 4.023 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000186593801 822920080 /nfs/dbraw/zinc/92/00/80/822920080.db2.gz RNHXRWYYKQCJGO-UXHICEINSA-N 1 1 399.554 4.081 20 0 GIADMO COc1ccc([C@@H](C)CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000175272667 822921183 /nfs/dbraw/zinc/92/11/83/822921183.db2.gz YYUUZMUIHBLKAX-SFHVURJKSA-N 1 1 384.495 4.062 20 0 GIADMO COc1ccc([C@@H](C)CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000175272667 822921187 /nfs/dbraw/zinc/92/11/87/822921187.db2.gz 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O=C([C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)N(CC(F)(F)F)C1CCC1 ZINC000569444778 822924274 /nfs/dbraw/zinc/92/42/74/822924274.db2.gz SEBHLUNHTICATQ-MRXNPFEDSA-N 1 1 390.396 4.087 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000457837053 822924288 /nfs/dbraw/zinc/92/42/88/822924288.db2.gz YOIRCODHVKYDIG-FQEVSTJZSA-N 1 1 386.923 4.114 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)c(OC)n1 ZINC000569444942 822924437 /nfs/dbraw/zinc/92/44/37/822924437.db2.gz AWPJFVYFYCOWCF-NSHDSACASA-N 1 1 391.265 4.458 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1cccs1 ZINC000175284603 822924466 /nfs/dbraw/zinc/92/44/66/822924466.db2.gz ULGDHJQRNPOFSA-IBGZPJMESA-N 1 1 384.545 4.082 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1cccs1)c1ccc(F)cc1F ZINC000054971223 822926375 /nfs/dbraw/zinc/92/63/75/822926375.db2.gz KVXBJXVDMGRJGV-HNNXBMFYSA-N 1 1 395.544 4.392 20 0 GIADMO COCc1cc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC ZINC000186631148 822926434 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CC[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)c1nc(C)cs1 ZINC000458302868 822980848 /nfs/dbraw/zinc/98/08/48/822980848.db2.gz ATDPFWFYNWVRCS-LPHOPBHVSA-N 1 1 386.565 4.066 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(-c2ccccc2)n1 ZINC000569888704 822980916 /nfs/dbraw/zinc/98/09/16/822980916.db2.gz KLNQVWMRPGYSIU-FQEVSTJZSA-N 1 1 398.514 4.252 20 0 GIADMO OC1(Cc2cccc(F)c2)CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000186927290 822981550 /nfs/dbraw/zinc/98/15/50/822981550.db2.gz OPQVKCSOMYLQNK-UHFFFAOYSA-N 1 1 384.426 4.189 20 0 GIADMO CSc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000569896979 822982680 /nfs/dbraw/zinc/98/26/80/822982680.db2.gz UNIRZLSLBPQMPM-SMDDNHRTSA-N 1 1 398.288 4.306 20 0 GIADMO CSc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000569896979 822982683 /nfs/dbraw/zinc/98/26/83/822982683.db2.gz UNIRZLSLBPQMPM-SMDDNHRTSA-N 1 1 398.288 4.306 20 0 GIADMO CCN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H](C)Cc1ccsc1 ZINC000186934829 822983156 /nfs/dbraw/zinc/98/31/56/822983156.db2.gz LYXUZKZPMZSYRL-KNQAVFIVSA-N 1 1 399.604 4.275 20 0 GIADMO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ncc(Br)cc1F ZINC000186949215 822985118 /nfs/dbraw/zinc/98/51/18/822985118.db2.gz BKTVAABTARYZKW-AWEZNQCLSA-N 1 1 380.305 4.156 20 0 GIADMO C[C@H](CNC(=O)Nc1cccc(C(C)(F)F)c1)[N@@H+]1CCc2sccc2C1 ZINC000186956886 822986732 /nfs/dbraw/zinc/98/67/32/822986732.db2.gz XQVJLRUVPCLZMH-CYBMUJFWSA-N 1 1 379.476 4.428 20 0 GIADMO C[C@H](CNC(=O)Nc1cccc(C(C)(F)F)c1)[N@H+]1CCc2sccc2C1 ZINC000186956886 822986734 /nfs/dbraw/zinc/98/67/34/822986734.db2.gz XQVJLRUVPCLZMH-CYBMUJFWSA-N 1 1 379.476 4.428 20 0 GIADMO CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175510596 822987101 /nfs/dbraw/zinc/98/71/01/822987101.db2.gz JPWZVCBLKUMSFT-HBFSDRIKSA-N 1 1 393.597 4.122 20 0 GIADMO CCCN(C[C@@H]1CCCCO1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175510564 822987123 /nfs/dbraw/zinc/98/71/23/822987123.db2.gz JPWZVCBLKUMSFT-BJLQDIEVSA-N 1 1 393.597 4.122 20 0 GIADMO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000569932584 822987107 /nfs/dbraw/zinc/98/71/07/822987107.db2.gz HAJJIAUFFQBAHS-SPKLELGKSA-N 1 1 380.319 4.424 20 0 GIADMO CC(C)c1nc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c2ccccn21 ZINC000569933038 822987248 /nfs/dbraw/zinc/98/72/48/822987248.db2.gz GBLLPLOMXLHRAC-LJQANCHMSA-N 1 1 390.531 4.100 20 0 GIADMO CC(C)c1[nH+]c(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)c2ccccn21 ZINC000569933038 822987250 /nfs/dbraw/zinc/98/72/50/822987250.db2.gz GBLLPLOMXLHRAC-LJQANCHMSA-N 1 1 390.531 4.100 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(OCc3ccncc3)cc2)c1 ZINC000569935502 822987433 /nfs/dbraw/zinc/98/74/33/822987433.db2.gz WZGRCIOMBSPTRB-UHFFFAOYSA-N 1 1 389.499 4.042 20 0 GIADMO O=C([C@@H](c1ccccc1)[NH+]1CCC(F)(c2ccccn2)CC1)N1CCCCC1 ZINC000569934902 822987474 /nfs/dbraw/zinc/98/74/74/822987474.db2.gz CAERBMZMSWLKAP-OAQYLSRUSA-N 1 1 381.495 4.096 20 0 GIADMO CCN(C(C)=O)c1nc(C[NH2+]C[C@H](C)Oc2ccc(C(C)C)cc2)cs1 ZINC000569960742 822990316 /nfs/dbraw/zinc/99/03/16/822990316.db2.gz RHGHRZVBAANTPW-HNNXBMFYSA-N 1 1 375.538 4.196 20 0 GIADMO CSc1nsc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)n1 ZINC000175524226 822990595 /nfs/dbraw/zinc/99/05/95/822990595.db2.gz WWKYPFAXHSGSLO-UHFFFAOYSA-N 1 1 384.530 4.144 20 0 GIADMO Cc1occc1C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175531883 822992150 /nfs/dbraw/zinc/99/21/50/822992150.db2.gz HIGAVLODCUMVDU-KRWDZBQOSA-N 1 1 380.410 4.115 20 0 GIADMO O=C(Cc1ccsc1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533497 822992387 /nfs/dbraw/zinc/99/23/87/822992387.db2.gz FAYDHDASBGHXJX-GOSISDBHSA-N 1 1 396.478 4.204 20 0 GIADMO O=C(c1cccs1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534425 822992591 /nfs/dbraw/zinc/99/25/91/822992591.db2.gz UUMDMWUFHFGNKK-MRXNPFEDSA-N 1 1 382.451 4.275 20 0 GIADMO O=C(CC1CCCC1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175534067 822992614 /nfs/dbraw/zinc/99/26/14/822992614.db2.gz BWCODOCBWQHXRX-LJQANCHMSA-N 1 1 382.470 4.480 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C(C)(F)F)c2)[C@H](C)C1 ZINC000186996646 822994394 /nfs/dbraw/zinc/99/43/94/822994394.db2.gz PWBDCFJUZQWLOI-QAPCUYQASA-N 1 1 383.483 4.057 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C(C)(C)C)cc1 ZINC000570005816 822995430 /nfs/dbraw/zinc/99/54/30/822995430.db2.gz XFKUJRPUHIEHNE-INIZCTEOSA-N 1 1 386.458 4.097 20 0 GIADMO COC[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1 ZINC000570004687 822995505 /nfs/dbraw/zinc/99/55/05/822995505.db2.gz JASCSEOVEUTOFC-LEWJYISDSA-N 1 1 386.923 4.153 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@]2(C)CCCO)ccc1OCc1cccs1 ZINC000570008755 822996183 /nfs/dbraw/zinc/99/61/83/822996183.db2.gz HZLNUZAPLSTXQD-NRFANRHFSA-N 1 1 375.534 4.463 20 0 GIADMO Clc1ccccc1-c1csc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000187024910 822999697 /nfs/dbraw/zinc/99/96/97/822999697.db2.gz COFHNQMWWGTTTM-MRXNPFEDSA-N 1 1 391.968 4.008 20 0 GIADMO Clc1ccccc1-c1csc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000187024910 822999699 /nfs/dbraw/zinc/99/96/99/822999699.db2.gz COFHNQMWWGTTTM-MRXNPFEDSA-N 1 1 391.968 4.008 20 0 GIADMO COc1cc(F)c(C[NH2+][C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1OC ZINC000570049765 823000949 /nfs/dbraw/zinc/00/09/49/823000949.db2.gz TWSRTOJXKRKCET-HXUWFJFHSA-N 1 1 383.467 4.187 20 0 GIADMO CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000175583112 823002059 /nfs/dbraw/zinc/00/20/59/823002059.db2.gz UKBHKSUYSVPBHD-OXJNMPFZSA-N 1 1 386.467 4.015 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1coc2ccccc12 ZINC000570067440 823002567 /nfs/dbraw/zinc/00/25/67/823002567.db2.gz SOTKRYZTWFSCAR-PFWHTEFJSA-N 1 1 376.500 4.248 20 0 GIADMO COc1ccc(-n2c(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)nc3ccccc32)cc1 ZINC000570112538 823006676 /nfs/dbraw/zinc/00/66/76/823006676.db2.gz PUEXKLVQCMPERU-YADHBBJMSA-N 1 1 377.488 4.178 20 0 GIADMO O=C(Cn1c[nH+]c2c1CCCC2)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000570113700 823006837 /nfs/dbraw/zinc/00/68/37/823006837.db2.gz BJTPWFHSUJPPTK-UHFFFAOYSA-N 1 1 377.410 4.224 20 0 GIADMO Cc1cc(C[NH2+]Cc2cc(F)ccc2Br)cc(N2CCCC2)n1 ZINC000570131291 823008852 /nfs/dbraw/zinc/00/88/52/823008852.db2.gz JMJVERPOXKPOPB-UHFFFAOYSA-N 1 1 378.289 4.182 20 0 GIADMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000570145575 823010365 /nfs/dbraw/zinc/01/03/65/823010365.db2.gz BXGKXCUXOHFKCT-QFIPXVFZSA-N 1 1 389.971 4.432 20 0 GIADMO O=C(Nc1ccc(F)cc1)c1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000570153477 823010922 /nfs/dbraw/zinc/01/09/22/823010922.db2.gz HOJPKWJSFKPVJD-BHDDXSALSA-N 1 1 381.495 4.088 20 0 GIADMO CCOc1ccc(C(F)(F)F)cc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000175638314 823011046 /nfs/dbraw/zinc/01/10/46/823011046.db2.gz CJSCYOLOZFJAOX-GOOCMWNKSA-N 1 1 385.430 4.241 20 0 GIADMO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000187106379 823011270 /nfs/dbraw/zinc/01/12/70/823011270.db2.gz HOWBXBNOONGVCQ-ZBFHGGJFSA-N 1 1 380.282 4.139 20 0 GIADMO COc1c(Br)cccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000187106379 823011273 /nfs/dbraw/zinc/01/12/73/823011273.db2.gz HOWBXBNOONGVCQ-ZBFHGGJFSA-N 1 1 380.282 4.139 20 0 GIADMO COc1cc(C2(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)ccc1C ZINC000570164965 823011633 /nfs/dbraw/zinc/01/16/33/823011633.db2.gz ZDVBAEMETHERPS-UGKGYDQZSA-N 1 1 392.543 4.062 20 0 GIADMO CCCN(CCc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175642813 823011720 /nfs/dbraw/zinc/01/17/20/823011720.db2.gz VCUTZRWVMVWEGZ-NFBKMPQASA-N 1 1 394.563 4.099 20 0 GIADMO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ncc(Br)cc1F)c1ccco1 ZINC000187110448 823011947 /nfs/dbraw/zinc/01/19/47/823011947.db2.gz KKEZORWIFXGHCF-DOMZBBRYSA-N 1 1 384.293 4.310 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000570204508 823014948 /nfs/dbraw/zinc/01/49/48/823014948.db2.gz GXUSBNXRSLEVDP-QFBILLFUSA-N 1 1 383.923 4.112 20 0 GIADMO CC[C@@H](C)n1nc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000570254762 823019878 /nfs/dbraw/zinc/01/98/78/823019878.db2.gz ODORBVRLLFIEEE-WIYYLYMNSA-N 1 1 382.552 4.195 20 0 GIADMO CC[C@@H](C(=O)N1CCC(c2c(C)[nH]c3ccccc32)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000570298274 823023453 /nfs/dbraw/zinc/02/34/53/823023453.db2.gz ZJQNYNDGUQBMOJ-KNQAVFIVSA-N 1 1 397.563 4.072 20 0 GIADMO CC[C@@H](C(=O)N1CCC(c2c(C)[nH]c3ccccc32)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000570298274 823023456 /nfs/dbraw/zinc/02/34/56/823023456.db2.gz ZJQNYNDGUQBMOJ-KNQAVFIVSA-N 1 1 397.563 4.072 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N[C@H](CO)c1ccc(F)cc1)C1CCCCC1 ZINC000570309464 823024335 /nfs/dbraw/zinc/02/43/35/823024335.db2.gz CSYLNMLFJYLBFE-JOCHJYFZSA-N 1 1 399.510 4.445 20 0 GIADMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000570351166 823027794 /nfs/dbraw/zinc/02/77/94/823027794.db2.gz MNKABNYHQDUTNJ-LJQANCHMSA-N 1 1 392.341 4.070 20 0 GIADMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000570351165 823027831 /nfs/dbraw/zinc/02/78/31/823027831.db2.gz MNKABNYHQDUTNJ-IBGZPJMESA-N 1 1 392.341 4.070 20 0 GIADMO O=C(N[C@H](c1ccccc1)C1CC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000570353118 823028193 /nfs/dbraw/zinc/02/81/93/823028193.db2.gz RFEPFBKIDIFGEP-ILBGXUMGSA-N 1 1 389.543 4.445 20 0 GIADMO O[C@H]([C@@H]1CCC[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1)C(F)(F)F ZINC000570358781 823028708 /nfs/dbraw/zinc/02/87/08/823028708.db2.gz NOHVETLIPPNXTJ-PIGZYNQJSA-N 1 1 375.337 4.360 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000175736182 823029392 /nfs/dbraw/zinc/02/93/92/823029392.db2.gz OCXOZRWLBBYBAC-HNNXBMFYSA-N 1 1 390.478 4.260 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000187243382 823029473 /nfs/dbraw/zinc/02/94/73/823029473.db2.gz PXHINAZNFWHLMW-UHFFFAOYSA-N 1 1 379.479 4.248 20 0 GIADMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccs1)C[C@H](O)C(F)(F)F ZINC000570365523 823029589 /nfs/dbraw/zinc/02/95/89/823029589.db2.gz MXINTBXZLHRXGB-KRWDZBQOSA-N 1 1 395.450 4.015 20 0 GIADMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccs1)C[C@H](O)C(F)(F)F ZINC000570365523 823029590 /nfs/dbraw/zinc/02/95/90/823029590.db2.gz MXINTBXZLHRXGB-KRWDZBQOSA-N 1 1 395.450 4.015 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCCN4c5ccccc5C[C@H]4C3)n2)cc1F ZINC000570367449 823029720 /nfs/dbraw/zinc/02/97/20/823029720.db2.gz SKCHPDKZRHPSGW-LPHOPBHVSA-N 1 1 392.478 4.382 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000570369535 823030165 /nfs/dbraw/zinc/03/01/65/823030165.db2.gz RNKKHVNKUOKKNY-OFVILXPXSA-N 1 1 394.559 4.070 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000570369535 823030169 /nfs/dbraw/zinc/03/01/69/823030169.db2.gz RNKKHVNKUOKKNY-OFVILXPXSA-N 1 1 394.559 4.070 20 0 GIADMO CCCC(=O)Nc1cccc(C[NH2+]Cc2cnc(-c3ccccc3OC)nc2)c1 ZINC000570387624 823032376 /nfs/dbraw/zinc/03/23/76/823032376.db2.gz OMLZVDSJDGIEPP-UHFFFAOYSA-N 1 1 390.487 4.181 20 0 GIADMO CCCC[C@H](CCC)NC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000175756446 823032749 /nfs/dbraw/zinc/03/27/49/823032749.db2.gz YIJHFQFOXCXCTN-IBGZPJMESA-N 1 1 378.561 4.162 20 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ZINC000570430255 823037019 /nfs/dbraw/zinc/03/70/19/823037019.db2.gz JKTYGNSDUJNLEG-AWEZNQCLSA-N 1 1 395.425 4.348 20 0 GIADMO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cncc(OC)c1 ZINC000570430255 823037022 /nfs/dbraw/zinc/03/70/22/823037022.db2.gz JKTYGNSDUJNLEG-AWEZNQCLSA-N 1 1 395.425 4.348 20 0 GIADMO COc1ccccc1-c1ccc([C@@H](C)NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000458420692 823038511 /nfs/dbraw/zinc/03/85/11/823038511.db2.gz ATUOOZSGWBHWGS-MOPGFXCFSA-N 1 1 395.547 4.454 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)[C@@H]1c1cccs1 ZINC000458422485 823038537 /nfs/dbraw/zinc/03/85/37/823038537.db2.gz JFITUFPUNVBLQB-VXIBKDFQSA-N 1 1 375.582 4.351 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)[C@@H]1c1cccs1 ZINC000458422498 823038556 /nfs/dbraw/zinc/03/85/56/823038556.db2.gz JFITUFPUNVBLQB-YWTNHNAXSA-N 1 1 375.582 4.351 20 0 GIADMO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000187307689 823040549 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GIADMO CC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1c[nH]c2ccccc12 ZINC000190497199 823581104 /nfs/dbraw/zinc/58/11/04/823581104.db2.gz IENWUPWFSNQSRY-UHFFFAOYSA-N 1 1 378.501 4.263 20 0 GIADMO C[C@@H](NCCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514426 823583109 /nfs/dbraw/zinc/58/31/09/823583109.db2.gz GBQQNKZWTJPOLB-NVXWUHKLSA-N 1 1 388.943 4.175 20 0 GIADMO C[C@@H](NCCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514426 823583115 /nfs/dbraw/zinc/58/31/15/823583115.db2.gz GBQQNKZWTJPOLB-NVXWUHKLSA-N 1 1 388.943 4.175 20 0 GIADMO O[C@H](C[NH+]1CCC(Oc2ccc(F)nc2)CC1)c1ccc(Cl)cc1Cl ZINC000190526263 823583540 /nfs/dbraw/zinc/58/35/40/823583540.db2.gz CANCWBXIOCCAKC-QGZVFWFLSA-N 1 1 385.266 4.104 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000411532697 823585400 /nfs/dbraw/zinc/58/54/00/823585400.db2.gz ZOCATLSMYQNBHO-RDTXWAMCSA-N 1 1 388.309 4.256 20 0 GIADMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411535137 823585787 /nfs/dbraw/zinc/58/57/87/823585787.db2.gz QPIMNYYCPZDGFM-OALUTQOASA-N 1 1 390.531 4.025 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(C[NH+]4CCCC4)cc3)[nH]c2c1 ZINC000061231286 823585887 /nfs/dbraw/zinc/58/58/87/823585887.db2.gz CXZLWJIXTHVNKQ-QFIPXVFZSA-N 1 1 388.515 4.444 20 0 GIADMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3cccc(F)c3)n2)cc1 ZINC000411537424 823585972 /nfs/dbraw/zinc/58/59/72/823585972.db2.gz SSXATTYVDXCWHY-AWEZNQCLSA-N 1 1 382.439 4.118 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[NH2+][C@@H](C)c1nncn1C ZINC000411542500 823586765 /nfs/dbraw/zinc/58/67/65/823586765.db2.gz YIVZPDJOIZZUEX-NSHDSACASA-N 1 1 381.427 4.117 20 0 GIADMO CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000411547333 823587214 /nfs/dbraw/zinc/58/72/14/823587214.db2.gz BZCRUXBCZVNLEX-AZUAARDMSA-N 1 1 397.588 4.237 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-c2ncco2)cc1F ZINC000411552179 823587642 /nfs/dbraw/zinc/58/76/42/823587642.db2.gz OMMRLSAAAWOUKM-VGOFRKELSA-N 1 1 379.479 4.481 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2ncco2)cc1F ZINC000411552179 823587648 /nfs/dbraw/zinc/58/76/48/823587648.db2.gz OMMRLSAAAWOUKM-VGOFRKELSA-N 1 1 379.479 4.481 20 0 GIADMO CCC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000411556214 823587874 /nfs/dbraw/zinc/58/78/74/823587874.db2.gz UBBXOUUXGZDQJU-HNNXBMFYSA-N 1 1 376.522 4.047 20 0 GIADMO C[N@@H+](Cn1ccc(=S)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000190579606 823588083 /nfs/dbraw/zinc/58/80/83/823588083.db2.gz IEJGOTAIRDXRRQ-HXUWFJFHSA-N 1 1 377.513 4.061 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000190592772 823589258 /nfs/dbraw/zinc/58/92/58/823589258.db2.gz FURZXSJYYHTUSV-YCRPNKLZSA-N 1 1 375.472 4.184 20 0 GIADMO O=C(CSc1ccc(F)c(F)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285225 823589299 /nfs/dbraw/zinc/58/92/99/823589299.db2.gz RHWGVVYJLZCHQT-UHFFFAOYSA-N 1 1 394.512 4.244 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(-c2cnco2)cc1 ZINC000061284866 823589372 /nfs/dbraw/zinc/58/93/72/823589372.db2.gz IVYPDKZJFFOOQC-UHFFFAOYSA-N 1 1 379.485 4.143 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC[N@H+]1C ZINC000124363958 823590484 /nfs/dbraw/zinc/59/04/84/823590484.db2.gz NAGMMGCBYXVQQV-GOEBONIOSA-N 1 1 398.551 4.244 20 0 GIADMO Cc1oc(C)c(C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1C ZINC000124398940 823593410 /nfs/dbraw/zinc/59/34/10/823593410.db2.gz HXVHNIJCOVFIQV-UHFFFAOYSA-N 1 1 383.492 4.190 20 0 GIADMO Cc1nc(CC2CC2)sc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000190634667 823593930 /nfs/dbraw/zinc/59/39/30/823593930.db2.gz LQRUMRVAOYSMQE-INIZCTEOSA-N 1 1 389.590 4.108 20 0 GIADMO CCC(CC)n1nccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000124412176 823594489 /nfs/dbraw/zinc/59/44/89/823594489.db2.gz FWIKYFQIIYQDMU-IRLDBZIGSA-N 1 1 394.563 4.371 20 0 GIADMO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000411662529 823595448 /nfs/dbraw/zinc/59/54/48/823595448.db2.gz OFMXMKOQYKRPHE-MRXNPFEDSA-N 1 1 385.266 4.093 20 0 GIADMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000411664094 823595691 /nfs/dbraw/zinc/59/56/91/823595691.db2.gz AJYWHASLECFAQO-QGZVFWFLSA-N 1 1 390.915 4.121 20 0 GIADMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000411664094 823595696 /nfs/dbraw/zinc/59/56/96/823595696.db2.gz AJYWHASLECFAQO-QGZVFWFLSA-N 1 1 390.915 4.121 20 0 GIADMO COc1ccnc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c1OC ZINC000190656262 823595811 /nfs/dbraw/zinc/59/58/11/823595811.db2.gz SSAWGFLRRPSTMX-RDJZCZTQSA-N 1 1 376.522 4.029 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(CC)c(CC)c3)c2C1 ZINC000190668564 823596701 /nfs/dbraw/zinc/59/67/01/823596701.db2.gz SSPPOSRNPVPFNJ-UHFFFAOYSA-N 1 1 379.504 4.114 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(CC)c(CC)c3)c2C1 ZINC000190668564 823596703 /nfs/dbraw/zinc/59/67/03/823596703.db2.gz SSPPOSRNPVPFNJ-UHFFFAOYSA-N 1 1 379.504 4.114 20 0 GIADMO COc1cccc([C@@H]2[C@H](NCc3cc(-c4ccco4)on3)CC[N@@H+]2C2CC2)c1 ZINC000411688423 823597117 /nfs/dbraw/zinc/59/71/17/823597117.db2.gz CLLHNWDSFGMZFM-DENIHFKCSA-N 1 1 379.460 4.011 20 0 GIADMO COc1cccc([C@@H]2[C@H](NCc3cc(-c4ccco4)on3)CC[N@H+]2C2CC2)c1 ZINC000411688423 823597122 /nfs/dbraw/zinc/59/71/22/823597122.db2.gz CLLHNWDSFGMZFM-DENIHFKCSA-N 1 1 379.460 4.011 20 0 GIADMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCCn1ccnc1 ZINC000124465724 823598810 /nfs/dbraw/zinc/59/88/10/823598810.db2.gz VYZFEWNYSMRAFE-CYBMUJFWSA-N 1 1 379.386 4.035 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc(C[NH+]4CCCC4)c3)[nH]c2c1 ZINC000061462150 823598991 /nfs/dbraw/zinc/59/89/91/823598991.db2.gz FXMPKKMYNWRUES-QFIPXVFZSA-N 1 1 388.515 4.444 20 0 GIADMO Clc1c(Br)cccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000411714199 823599026 /nfs/dbraw/zinc/59/90/26/823599026.db2.gz CZEZOHNFLQQAIV-LBPRGKRZSA-N 1 1 382.689 4.352 20 0 GIADMO Clc1c(Br)cccc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000411714199 823599031 /nfs/dbraw/zinc/59/90/31/823599031.db2.gz CZEZOHNFLQQAIV-LBPRGKRZSA-N 1 1 382.689 4.352 20 0 GIADMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)c1 ZINC000411729430 823600600 /nfs/dbraw/zinc/60/06/00/823600600.db2.gz FKWVPARKTKNAFU-FQEVSTJZSA-N 1 1 378.476 4.046 20 0 GIADMO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000411729430 823600601 /nfs/dbraw/zinc/60/06/01/823600601.db2.gz FKWVPARKTKNAFU-FQEVSTJZSA-N 1 1 378.476 4.046 20 0 GIADMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000411729430 823600602 /nfs/dbraw/zinc/60/06/02/823600602.db2.gz FKWVPARKTKNAFU-FQEVSTJZSA-N 1 1 378.476 4.046 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000411732047 823600815 /nfs/dbraw/zinc/60/08/15/823600815.db2.gz MUKBEGGWJRAXEV-HXUWFJFHSA-N 1 1 392.503 4.436 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000411732047 823600816 /nfs/dbraw/zinc/60/08/16/823600816.db2.gz MUKBEGGWJRAXEV-HXUWFJFHSA-N 1 1 392.503 4.436 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000411732047 823600817 /nfs/dbraw/zinc/60/08/17/823600817.db2.gz MUKBEGGWJRAXEV-HXUWFJFHSA-N 1 1 392.503 4.436 20 0 GIADMO CCCN1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000124500714 823601899 /nfs/dbraw/zinc/60/18/99/823601899.db2.gz XDDOCIYTKNLIOZ-UHFFFAOYSA-N 1 1 390.163 4.176 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1C(C)C ZINC000124504687 823602165 /nfs/dbraw/zinc/60/21/65/823602165.db2.gz AMQKSNGRLKYRFI-UHFFFAOYSA-N 1 1 399.510 4.183 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(-n2cnnn2)c1 ZINC000124529579 823604075 /nfs/dbraw/zinc/60/40/75/823604075.db2.gz QDKWBIGZWCWPOU-VFNWGFHPSA-N 1 1 390.878 4.151 20 0 GIADMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3ncco3)cc2F)cc1 ZINC000411774777 823604121 /nfs/dbraw/zinc/60/41/21/823604121.db2.gz XTUBOIWYCWALRB-CQSZACIVSA-N 1 1 388.464 4.125 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc(-c2cccs2)on1 ZINC000061571130 823604584 /nfs/dbraw/zinc/60/45/84/823604584.db2.gz URAURYAOEGHRIG-UHFFFAOYSA-N 1 1 385.514 4.204 20 0 GIADMO COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000461255053 823605687 /nfs/dbraw/zinc/60/56/87/823605687.db2.gz YTSYPQZOUFPYKE-WBVHZDCISA-N 1 1 388.458 4.063 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000411801831 823606128 /nfs/dbraw/zinc/60/61/28/823606128.db2.gz NHLQFVVQQPVHAK-MRXNPFEDSA-N 1 1 392.393 4.339 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)N2CCC[N@H+](C3CC3)CC2)cs1 ZINC000061604881 823606191 /nfs/dbraw/zinc/60/61/91/823606191.db2.gz KOLPPVPYTZXKLN-UHFFFAOYSA-N 1 1 387.574 4.054 20 0 GIADMO COc1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)ccc1OCCC(C)C ZINC000461258316 823606606 /nfs/dbraw/zinc/60/66/06/823606606.db2.gz PTHHQCHFVNYRQE-LJQANCHMSA-N 1 1 376.541 4.067 20 0 GIADMO O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061622749 823606644 /nfs/dbraw/zinc/60/66/44/823606644.db2.gz OXCBGLWOQRIPQW-GFCCVEGCSA-N 1 1 396.343 4.012 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cc1nc(-c2cccs2)oc1C ZINC000061624175 823606753 /nfs/dbraw/zinc/60/67/53/823606753.db2.gz OPXRYUKEKXWUEF-UHFFFAOYSA-N 1 1 392.484 4.065 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000061624106 823606865 /nfs/dbraw/zinc/60/68/65/823606865.db2.gz BLJONZNBLQKFQF-UHFFFAOYSA-N 1 1 398.875 4.481 20 0 GIADMO COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461260292 823607089 /nfs/dbraw/zinc/60/70/89/823607089.db2.gz DDILNEFCGVJVRA-MRXNPFEDSA-N 1 1 389.927 4.086 20 0 GIADMO Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000461261664 823607448 /nfs/dbraw/zinc/60/74/48/823607448.db2.gz XIQCJLOZRASLKT-HXUWFJFHSA-N 1 1 378.516 4.172 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000124579779 823608230 /nfs/dbraw/zinc/60/82/30/823608230.db2.gz HRPXGDZEFRKCCJ-BZSNNMDCSA-N 1 1 386.511 4.294 20 0 GIADMO C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461265980 823608851 /nfs/dbraw/zinc/60/88/51/823608851.db2.gz PPVRNIYGOXVELK-HOCLYGCPSA-N 1 1 399.398 4.263 20 0 GIADMO CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000124594932 823609430 /nfs/dbraw/zinc/60/94/30/823609430.db2.gz ZFVIUWNOILEAOY-IBGZPJMESA-N 1 1 381.455 4.008 20 0 GIADMO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc1)CC2 ZINC000124598157 823609779 /nfs/dbraw/zinc/60/97/79/823609779.db2.gz LPOGVIBEROBEGJ-NXMSCROESA-N 1 1 380.532 4.082 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000061735869 823610226 /nfs/dbraw/zinc/61/02/26/823610226.db2.gz PQSHLWQYRYVSDH-UHFFFAOYSA-N 1 1 395.547 4.110 20 0 GIADMO Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1cccs1 ZINC000461286206 823611911 /nfs/dbraw/zinc/61/19/11/823611911.db2.gz CTUHLWRUQFJWSG-YLJYHZDGSA-N 1 1 395.576 4.186 20 0 GIADMO COc1ccc(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)cc1Br ZINC000061758649 823611937 /nfs/dbraw/zinc/61/19/37/823611937.db2.gz XIIFYNCRHSQZQQ-UHFFFAOYSA-N 1 1 394.309 4.149 20 0 GIADMO C[C@@H]1CN(Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000124622217 823612002 /nfs/dbraw/zinc/61/20/02/823612002.db2.gz WNBCIVPHVBOZCM-NHCUHLMSSA-N 1 1 393.575 4.054 20 0 GIADMO CCCCCC[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000061759502 823612030 /nfs/dbraw/zinc/61/20/30/823612030.db2.gz JPPZNZGOJZKIAA-MOPGFXCFSA-N 1 1 387.568 4.332 20 0 GIADMO COc1cccc(C[N@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000061759811 823612131 /nfs/dbraw/zinc/61/21/31/823612131.db2.gz PPKYWBQXUUJTRL-UHFFFAOYSA-N 1 1 381.303 4.092 20 0 GIADMO COc1cccc(C[N@@H+](C)CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000061759811 823612132 /nfs/dbraw/zinc/61/21/32/823612132.db2.gz PPKYWBQXUUJTRL-UHFFFAOYSA-N 1 1 381.303 4.092 20 0 GIADMO C[C@H]([NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc(-n2cnnn2)cc1 ZINC000124625423 823612335 /nfs/dbraw/zinc/61/23/35/823612335.db2.gz GZHQWAIUKJHDOJ-YCRPNKLZSA-N 1 1 390.878 4.151 20 0 GIADMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000061779780 823613679 /nfs/dbraw/zinc/61/36/79/823613679.db2.gz FUFPKHSBKINCSD-UHFFFAOYSA-N 1 1 398.547 4.308 20 0 GIADMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000061779780 823613681 /nfs/dbraw/zinc/61/36/81/823613681.db2.gz FUFPKHSBKINCSD-UHFFFAOYSA-N 1 1 398.547 4.308 20 0 GIADMO CN(CCc1ccc(F)cc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788211 823614264 /nfs/dbraw/zinc/61/42/64/823614264.db2.gz SWOAZDDFXAEHIN-UHFFFAOYSA-N 1 1 387.524 4.081 20 0 GIADMO O=C(NCc1ccc(Cl)cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789743 823614426 /nfs/dbraw/zinc/61/44/26/823614426.db2.gz GMPGWHDKJFSUES-UHFFFAOYSA-N 1 1 375.925 4.211 20 0 GIADMO COc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061789451 823614506 /nfs/dbraw/zinc/61/45/06/823614506.db2.gz FTSNQASKHASJMH-KRWDZBQOSA-N 1 1 399.560 4.469 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000411923251 823614607 /nfs/dbraw/zinc/61/46/07/823614607.db2.gz KMHRDOVDMBXKGV-QFBILLFUSA-N 1 1 383.289 4.305 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000411932934 823614989 /nfs/dbraw/zinc/61/49/89/823614989.db2.gz GFTPUKAOEGCBJB-RBUKOAKNSA-N 1 1 383.289 4.305 20 0 GIADMO CO[C@](C)([C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2F)n1)C1CC1 ZINC000411934644 823615007 /nfs/dbraw/zinc/61/50/07/823615007.db2.gz AKMMVWNZADZSDT-RNODOKPDSA-N 1 1 391.512 4.260 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000061794873 823615351 /nfs/dbraw/zinc/61/53/51/823615351.db2.gz VIIDQQKGHXABPU-UHFFFAOYSA-N 1 1 380.319 4.445 20 0 GIADMO CC(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000124668856 823615747 /nfs/dbraw/zinc/61/57/47/823615747.db2.gz BRWKZKRWWSFGJA-GOTSBHOMSA-N 1 1 385.596 4.219 20 0 GIADMO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)C1CCCCC1 ZINC000190851446 823616272 /nfs/dbraw/zinc/61/62/72/823616272.db2.gz KQJBCHSKYZOYKB-GOSISDBHSA-N 1 1 386.458 4.296 20 0 GIADMO CCOc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000061868829 823616946 /nfs/dbraw/zinc/61/69/46/823616946.db2.gz POZSPNLEKBWNKM-LJQANCHMSA-N 1 1 395.547 4.317 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C(C)=O)cc1)C(C)C ZINC000411978317 823617636 /nfs/dbraw/zinc/61/76/36/823617636.db2.gz CSPMSJBWWYMWAW-FQEVSTJZSA-N 1 1 387.545 4.261 20 0 GIADMO Cc1sc2nc([C@H](C)N3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)[nH]c(=O)c2c1C ZINC000411980468 823617642 /nfs/dbraw/zinc/61/76/42/823617642.db2.gz GSDGVXBAVVAPOP-HOCLYGCPSA-N 1 1 396.560 4.281 20 0 GIADMO CCN(C(=O)[C@@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)C1CCCCC1 ZINC000411982091 823617825 /nfs/dbraw/zinc/61/78/25/823617825.db2.gz BZWVJGKPPPTRAV-DENIHFKCSA-N 1 1 384.564 4.410 20 0 GIADMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411983171 823617923 /nfs/dbraw/zinc/61/79/23/823617923.db2.gz FJTXCTYUEZUTQA-HSZRJFAPSA-N 1 1 396.506 4.028 20 0 GIADMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411983171 823617924 /nfs/dbraw/zinc/61/79/24/823617924.db2.gz FJTXCTYUEZUTQA-HSZRJFAPSA-N 1 1 396.506 4.028 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1nc(C2CC2)cs1)C(C)C ZINC000411987046 823618143 /nfs/dbraw/zinc/61/81/43/823618143.db2.gz QBRJBUCOONVGPM-INIZCTEOSA-N 1 1 392.590 4.393 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1nc(C2CC2)cs1)C(C)C ZINC000411987046 823618144 /nfs/dbraw/zinc/61/81/44/823618144.db2.gz QBRJBUCOONVGPM-INIZCTEOSA-N 1 1 392.590 4.393 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1oc(C(C)C)nc1C)C(C)C ZINC000411985326 823618163 /nfs/dbraw/zinc/61/81/63/823618163.db2.gz NXJODJSPOPQHPO-KRWDZBQOSA-N 1 1 392.565 4.479 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1C ZINC000411990158 823618685 /nfs/dbraw/zinc/61/86/85/823618685.db2.gz QUVVYBGMVCEDSP-GBXCKJPGSA-N 1 1 392.543 4.334 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1C ZINC000411990158 823618687 /nfs/dbraw/zinc/61/86/87/823618687.db2.gz QUVVYBGMVCEDSP-GBXCKJPGSA-N 1 1 392.543 4.334 20 0 GIADMO O=c1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)nc2ccc(Cl)cn12 ZINC000411993809 823618855 /nfs/dbraw/zinc/61/88/55/823618855.db2.gz XVUOGWRIILXVKI-IBGZPJMESA-N 1 1 379.891 4.118 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411996272 823619428 /nfs/dbraw/zinc/61/94/28/823619428.db2.gz GDYJBZWWRNVPQG-MGPUTAFESA-N 1 1 386.442 4.146 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411996272 823619430 /nfs/dbraw/zinc/61/94/30/823619430.db2.gz GDYJBZWWRNVPQG-MGPUTAFESA-N 1 1 386.442 4.146 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)cnc21 ZINC000411996282 823619466 /nfs/dbraw/zinc/61/94/66/823619466.db2.gz GETAPCHTIRUZFV-NRFANRHFSA-N 1 1 376.504 4.366 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411996696 823619660 /nfs/dbraw/zinc/61/96/60/823619660.db2.gz HFFDXBNKGPCIMW-DYESRHJHSA-N 1 1 382.479 4.315 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411996696 823619662 /nfs/dbraw/zinc/61/96/62/823619662.db2.gz HFFDXBNKGPCIMW-DYESRHJHSA-N 1 1 382.479 4.315 20 0 GIADMO CC(C)CNC(=O)c1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000411997427 823619896 /nfs/dbraw/zinc/61/98/96/823619896.db2.gz IRJHPJQQJZUYKB-HSZRJFAPSA-N 1 1 392.543 4.426 20 0 GIADMO COCCn1c(C)c(C)n(C[NH+]2CCC(OC3CCCCC3)CC2)c1=S ZINC000124729588 823621479 /nfs/dbraw/zinc/62/14/79/823621479.db2.gz INQLWFWKXZWDTB-UHFFFAOYSA-N 1 1 381.586 4.054 20 0 GIADMO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)C1 ZINC000412006065 823621508 /nfs/dbraw/zinc/62/15/08/823621508.db2.gz BGVKAOJOMQNZHY-OFNKIYASSA-N 1 1 390.527 4.002 20 0 GIADMO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000461361495 823623033 /nfs/dbraw/zinc/62/30/33/823623033.db2.gz JDYSPCKGRAKGAA-SFHVURJKSA-N 1 1 382.895 4.491 20 0 GIADMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000461361495 823623037 /nfs/dbraw/zinc/62/30/37/823623037.db2.gz JDYSPCKGRAKGAA-SFHVURJKSA-N 1 1 382.895 4.491 20 0 GIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCCOCC(F)F)n1 ZINC000190910286 823623066 /nfs/dbraw/zinc/62/30/66/823623066.db2.gz VMEJIHDDDPBIFO-UHFFFAOYSA-N 1 1 392.475 4.114 20 0 GIADMO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000461363416 823623219 /nfs/dbraw/zinc/62/32/19/823623219.db2.gz QJDURYUBULIFIS-QFIPXVFZSA-N 1 1 399.604 4.452 20 0 GIADMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412030131 823623682 /nfs/dbraw/zinc/62/36/82/823623682.db2.gz DOMRTJMVNQJQDG-HXUWFJFHSA-N 1 1 383.561 4.349 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000412042697 823624038 /nfs/dbraw/zinc/62/40/38/823624038.db2.gz OJPVNIJNNQOOQP-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1Cl ZINC000412042697 823624040 /nfs/dbraw/zinc/62/40/40/823624040.db2.gz OJPVNIJNNQOOQP-GFCCVEGCSA-N 1 1 398.837 4.409 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)CC1 ZINC000412053979 823624299 /nfs/dbraw/zinc/62/42/99/823624299.db2.gz HBMPCOFTTVCGOU-AWEZNQCLSA-N 1 1 385.733 4.079 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)CC1 ZINC000412053979 823624300 /nfs/dbraw/zinc/62/43/00/823624300.db2.gz HBMPCOFTTVCGOU-AWEZNQCLSA-N 1 1 385.733 4.079 20 0 GIADMO Cc1ccc(Nc2nc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412055352 823624483 /nfs/dbraw/zinc/62/44/83/823624483.db2.gz LBPPLXGHRSMKLM-LJQANCHMSA-N 1 1 384.549 4.172 20 0 GIADMO Cc1ccc(Nc2nc(C[N@H+]3CCC[C@@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412055352 823624485 /nfs/dbraw/zinc/62/44/85/823624485.db2.gz LBPPLXGHRSMKLM-LJQANCHMSA-N 1 1 384.549 4.172 20 0 GIADMO Cc1ccnc(Oc2ccc(NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000124767882 823624627 /nfs/dbraw/zinc/62/46/27/823624627.db2.gz URZATUOIHWIOOH-SFHVURJKSA-N 1 1 397.523 4.353 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000412058373 823624738 /nfs/dbraw/zinc/62/47/38/823624738.db2.gz UXNUDYLAMQXABR-JOCHJYFZSA-N 1 1 378.516 4.243 20 0 GIADMO O=C(Cc1coc(-c2ccccc2)n1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000062228576 823625112 /nfs/dbraw/zinc/62/51/12/823625112.db2.gz NOLYIVNHBWKCKB-JOCHJYFZSA-N 1 1 389.499 4.055 20 0 GIADMO C[N@H+]1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)C2(CCCCC2)C1 ZINC000461398374 823629514 /nfs/dbraw/zinc/62/95/14/823629514.db2.gz LEFHAFXKTGEAMD-UHFFFAOYSA-N 1 1 386.565 4.127 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412146230 823630119 /nfs/dbraw/zinc/63/01/19/823630119.db2.gz FHRRNFWEWYGQGG-HYBUGGRVSA-N 1 1 392.543 4.256 20 0 GIADMO COCC[NH+]1CCC(NCc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461407907 823630647 /nfs/dbraw/zinc/63/06/47/823630647.db2.gz QYDQLQVSQCRYIB-UHFFFAOYSA-N 1 1 392.902 4.472 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412162323 823631849 /nfs/dbraw/zinc/63/18/49/823631849.db2.gz LXHYUCCRXVVELK-DQMJNTIXSA-N 1 1 392.543 4.303 20 0 GIADMO Cc1csc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1Br ZINC000190970471 823632381 /nfs/dbraw/zinc/63/23/81/823632381.db2.gz NBKSJKHWWAUJSW-UKRRQHHQSA-N 1 1 393.350 4.212 20 0 GIADMO O=C(CCCc1cc(F)ccc1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461422830 823633505 /nfs/dbraw/zinc/63/35/05/823633505.db2.gz JRKPSUBFWSQDNE-SFTDATJTSA-N 1 1 398.497 4.268 20 0 GIADMO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c2nccc(C)c2c1 ZINC000461424199 823633622 /nfs/dbraw/zinc/63/36/22/823633622.db2.gz HKLWWRUCHGMYHA-VXKWHMMOSA-N 1 1 399.538 4.446 20 0 GIADMO O=C(C1CCC(C(F)(F)F)CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427769 823634670 /nfs/dbraw/zinc/63/46/70/823634670.db2.gz HNBAXJMLZKCXBH-FUFFSDJGSA-N 1 1 394.481 4.336 20 0 GIADMO COc1cc2c(cc1CNC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)O[C@H](C)C2 ZINC000062426588 823634979 /nfs/dbraw/zinc/63/49/79/823634979.db2.gz PHNYDKUBISEJBS-UYAOXDASSA-N 1 1 380.532 4.020 20 0 GIADMO CCOc1cccc(CNC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1OC(F)F ZINC000062423381 823634993 /nfs/dbraw/zinc/63/49/93/823634993.db2.gz LKKIUICXAJEYFV-SFHVURJKSA-N 1 1 378.463 4.388 20 0 GIADMO 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CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C)cc3Cl)CC2)cs1 ZINC000191243975 823662745 /nfs/dbraw/zinc/66/27/45/823662745.db2.gz KFIGWFRDMPTFKU-UHFFFAOYSA-N 1 1 391.968 4.309 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N3CCC([N@@H+]4CCC[C@@H]4C)CC3)cs2)cc1 ZINC000125305964 823666533 /nfs/dbraw/zinc/66/65/33/823666533.db2.gz CCDQODMXVMAYFL-KRWDZBQOSA-N 1 1 383.561 4.136 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)cc1)C(C)C ZINC000125311411 823667053 /nfs/dbraw/zinc/66/70/53/823667053.db2.gz AIHDHCKNPAZFDV-QGZVFWFLSA-N 1 1 392.503 4.458 20 0 GIADMO Cc1ccc(-n2cccn2)cc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000191295860 823668748 /nfs/dbraw/zinc/66/87/48/823668748.db2.gz ARRQUYCKWRBCJN-PMACEKPBSA-N 1 1 395.551 4.299 20 0 GIADMO CC[C@H](CNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)CC(F)(F)F ZINC000412636267 823669051 /nfs/dbraw/zinc/66/90/51/823669051.db2.gz LZQBXFSJPQENNL-JYJNAYRXSA-N 1 1 386.458 4.004 20 0 GIADMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 ZINC000125391466 823672780 /nfs/dbraw/zinc/67/27/80/823672780.db2.gz WZOADMOBGBMSRJ-SFHVURJKSA-N 1 1 391.515 4.028 20 0 GIADMO CCCOc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000063464334 823673195 /nfs/dbraw/zinc/67/31/95/823673195.db2.gz LDXZWLZTXXBSNB-JOCHJYFZSA-N 1 1 395.547 4.187 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1Cc1ccccc1 ZINC000063463954 823673223 /nfs/dbraw/zinc/67/32/23/823673223.db2.gz JAPDVYZPECPFHF-RPWUZVMVSA-N 1 1 391.559 4.315 20 0 GIADMO COc1ccc(F)cc1[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464117 823673225 /nfs/dbraw/zinc/67/32/25/823673225.db2.gz PFRWDKLVWFXCPY-PKOBYXMFSA-N 1 1 399.510 4.107 20 0 GIADMO O=C(NCCc1ccc(Cl)s1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464092 823673235 /nfs/dbraw/zinc/67/32/35/823673235.db2.gz XPPOBUFGMGZQBO-QGZVFWFLSA-N 1 1 391.968 4.155 20 0 GIADMO CCOc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000063464526 823673403 /nfs/dbraw/zinc/67/34/03/823673403.db2.gz RZXYGXUIHJWQDG-PZJWPPBQSA-N 1 1 395.547 4.358 20 0 GIADMO Cc1cccc(C[N@H+](Cc2ccccn2)C[C@H](O)COCc2cccs2)c1 ZINC000125419278 823674653 /nfs/dbraw/zinc/67/46/53/823674653.db2.gz BTLYNYMTHLCMAQ-NRFANRHFSA-N 1 1 382.529 4.031 20 0 GIADMO COc1cc(OC)c(OC)cc1C[N@@H+](CCc1csc(C)n1)C(C)(C)C ZINC000125429309 823675462 /nfs/dbraw/zinc/67/54/62/823675462.db2.gz DMUHYFNWUUPTIW-UHFFFAOYSA-N 1 1 378.538 4.321 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](Cc1ccccc1)C1CC1 ZINC000063492177 823675709 /nfs/dbraw/zinc/67/57/09/823675709.db2.gz CAXSUVXJNFZXKK-UHFFFAOYSA-N 1 1 388.515 4.482 20 0 GIADMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000063493118 823675931 /nfs/dbraw/zinc/67/59/31/823675931.db2.gz KVITVUYWSMWLHN-OCCSQVGLSA-N 1 1 398.286 4.155 20 0 GIADMO CCN(Cc1nc(-c2cccs2)no1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000063510867 823677117 /nfs/dbraw/zinc/67/71/17/823677117.db2.gz NOWXPITUPYXPFP-WMZOPIPTSA-N 1 1 382.533 4.456 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000063517573 823677383 /nfs/dbraw/zinc/67/73/83/823677383.db2.gz ODMSMXSCLMICQD-SFHVURJKSA-N 1 1 398.514 4.135 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000063517573 823677385 /nfs/dbraw/zinc/67/73/85/823677385.db2.gz ODMSMXSCLMICQD-SFHVURJKSA-N 1 1 398.514 4.135 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=S)NCCSc2ccc(Cl)cc2)C1 ZINC000063565724 823679731 /nfs/dbraw/zinc/67/97/31/823679731.db2.gz CHHXPFOIRZRCLP-OAHLLOKOSA-N 1 1 386.030 4.017 20 0 GIADMO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000125481949 823679803 /nfs/dbraw/zinc/67/98/03/823679803.db2.gz MUNHFTJYUCMZGN-AWEZNQCLSA-N 1 1 376.422 4.193 20 0 GIADMO CC(C)N(C)c1ccc(CNc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000191392402 823679860 /nfs/dbraw/zinc/67/98/60/823679860.db2.gz YOERLDFHUKPYKM-KDURUIRLSA-N 1 1 382.552 4.148 20 0 GIADMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000125484798 823679861 /nfs/dbraw/zinc/67/98/61/823679861.db2.gz DEJKYVVUKLVNFG-CYBMUJFWSA-N 1 1 390.325 4.019 20 0 GIADMO O[C@@H](C[NH2+]Cc1c(F)cccc1Cl)COc1cccc(Cl)c1Cl ZINC000063566231 823679922 /nfs/dbraw/zinc/67/99/22/823679922.db2.gz ROANROBRGARGKJ-JTQLQIEISA-N 1 1 378.658 4.315 20 0 GIADMO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125488193 823680239 /nfs/dbraw/zinc/68/02/39/823680239.db2.gz XPKQKLDNBNWNQG-LBPRGKRZSA-N 1 1 391.397 4.419 20 0 GIADMO Cc1ccc([C@@H](OC[C@H](O)C[N@H+](C(C)C)C2CCOCC2)c2ccccc2)cc1 ZINC000125490777 823680429 /nfs/dbraw/zinc/68/04/29/823680429.db2.gz YVQSYQOJXWCVRV-RPBOFIJWSA-N 1 1 397.559 4.351 20 0 GIADMO c1ccc(Oc2ccc(-c3noc([C@H]4CCC[N@H+]4C4CCOCC4)n3)cn2)cc1 ZINC000125504090 823681392 /nfs/dbraw/zinc/68/13/92/823681392.db2.gz ACLQRIKGHGRKLN-LJQANCHMSA-N 1 1 392.459 4.240 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000063605725 823682899 /nfs/dbraw/zinc/68/28/99/823682899.db2.gz JJPORRCYIRHEPF-IBGZPJMESA-N 1 1 394.437 4.327 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2COc3cccc(Cl)c32)C1 ZINC000461697365 823683191 /nfs/dbraw/zinc/68/31/91/823683191.db2.gz CWHZYGVCDSADNO-SOLBZPMBSA-N 1 1 391.943 4.070 20 0 GIADMO CC(C)[N@@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccc(-c2cccc(F)c2)s1 ZINC000063615093 823683416 /nfs/dbraw/zinc/68/34/16/823683416.db2.gz IBMHBORMFGOAIJ-INIZCTEOSA-N 1 1 390.524 4.012 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000125538063 823683435 /nfs/dbraw/zinc/68/34/35/823683435.db2.gz LPKKLCADOPSUGK-OAQYLSRUSA-N 1 1 394.519 4.211 20 0 GIADMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1C ZINC000063619273 823683533 /nfs/dbraw/zinc/68/35/33/823683533.db2.gz LEDXKLYQUOSUMK-HXUWFJFHSA-N 1 1 380.488 4.240 20 0 GIADMO COCCN(C)c1ccc(C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cn1 ZINC000191427002 823684080 /nfs/dbraw/zinc/68/40/80/823684080.db2.gz LZELJOKZGHGBFF-MRXNPFEDSA-N 1 1 376.570 4.246 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000063626725 823684711 /nfs/dbraw/zinc/68/47/11/823684711.db2.gz HPIJBMFHLSJVGR-HNNXBMFYSA-N 1 1 383.330 4.186 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000063626725 823684712 /nfs/dbraw/zinc/68/47/12/823684712.db2.gz HPIJBMFHLSJVGR-HNNXBMFYSA-N 1 1 383.330 4.186 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000063627626 823684876 /nfs/dbraw/zinc/68/48/76/823684876.db2.gz ONGLCQVYCHVSSV-HNNXBMFYSA-N 1 1 389.471 4.217 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000063627626 823684877 /nfs/dbraw/zinc/68/48/77/823684877.db2.gz ONGLCQVYCHVSSV-HNNXBMFYSA-N 1 1 389.471 4.217 20 0 GIADMO CC(C)Cc1nc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cs1 ZINC000063636627 823685688 /nfs/dbraw/zinc/68/56/88/823685688.db2.gz YJLOKOZCCLAYFN-UHFFFAOYSA-N 1 1 393.556 4.453 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000461716808 823686718 /nfs/dbraw/zinc/68/67/18/823686718.db2.gz QDMVNBGQINJXHM-KNQAVFIVSA-N 1 1 380.536 4.229 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000063693637 823689702 /nfs/dbraw/zinc/68/97/02/823689702.db2.gz FWISEDMMUZAHLX-GOSISDBHSA-N 1 1 385.577 4.206 20 0 GIADMO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)CCS2 ZINC000191493494 823691081 /nfs/dbraw/zinc/69/10/81/823691081.db2.gz BULDSIQGEHEWJA-OAHLLOKOSA-N 1 1 384.423 4.358 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000461748838 823691320 /nfs/dbraw/zinc/69/13/20/823691320.db2.gz VQGLHJHNAYVGHY-NSHDSACASA-N 1 1 389.468 4.099 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000063722848 823691525 /nfs/dbraw/zinc/69/15/25/823691525.db2.gz JEIULDBCUDEYGT-UHFFFAOYSA-N 1 1 397.494 4.024 20 0 GIADMO CCN(C(=O)NC[C@@H]1COc2ccccc21)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000461752241 823691878 /nfs/dbraw/zinc/69/18/78/823691878.db2.gz RUZKQBHZLQILRK-NRSPTQNISA-N 1 1 393.531 4.030 20 0 GIADMO CCN(CC)c1nc2sc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc2s1 ZINC000063727961 823692275 /nfs/dbraw/zinc/69/22/75/823692275.db2.gz XVVLGDSFHDGNKN-UHFFFAOYSA-N 1 1 394.610 4.150 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000191508418 823693229 /nfs/dbraw/zinc/69/32/29/823693229.db2.gz POCRVYSOCKSJGE-INIZCTEOSA-N 1 1 385.487 4.416 20 0 GIADMO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000063762545 823693994 /nfs/dbraw/zinc/69/39/94/823693994.db2.gz XWVWIJLKMRHTQE-UHFFFAOYSA-N 1 1 399.494 4.057 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000063771492 823694508 /nfs/dbraw/zinc/69/45/08/823694508.db2.gz WTFABGWXJIJTNT-UHFFFAOYSA-N 1 1 396.506 4.393 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000063771495 823694539 /nfs/dbraw/zinc/69/45/39/823694539.db2.gz ZKCGJKSCXDRHBA-UHFFFAOYSA-N 1 1 392.341 4.267 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000063771602 823694731 /nfs/dbraw/zinc/69/47/31/823694731.db2.gz OCAQCXAIQZXLBR-UHFFFAOYSA-N 1 1 393.531 4.275 20 0 GIADMO COCC[NH+]1CCC(N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)CC1 ZINC000461788646 823695514 /nfs/dbraw/zinc/69/55/14/823695514.db2.gz AQODIUDXOOOFKE-QHCPKHFHSA-N 1 1 384.589 4.417 20 0 GIADMO CC[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412965231 823695568 /nfs/dbraw/zinc/69/55/68/823695568.db2.gz BMHWHZLUVDUKKV-CABCVRRESA-N 1 1 381.358 4.212 20 0 GIADMO O=C(C[C@@H]1C=CCCC1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972363 823695678 /nfs/dbraw/zinc/69/56/78/823695678.db2.gz OAOLQHLIPFQNHP-MRXNPFEDSA-N 1 1 391.353 4.276 20 0 GIADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1ccoc1Cl ZINC000412975385 823695992 /nfs/dbraw/zinc/69/59/92/823695992.db2.gz UJSDQMFHRMYFDE-UHFFFAOYSA-N 1 1 397.700 4.090 20 0 GIADMO CC(=O)Oc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000125686463 823696788 /nfs/dbraw/zinc/69/67/88/823696788.db2.gz MBXFUYUNJJTOSR-UHFFFAOYSA-N 1 1 378.447 4.391 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000461799040 823697183 /nfs/dbraw/zinc/69/71/83/823697183.db2.gz VVOPURNAKLLXKK-INIZCTEOSA-N 1 1 388.581 4.306 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+](Cc3ccccc3OC(F)F)CC2)n1 ZINC000191567540 823701113 /nfs/dbraw/zinc/70/11/13/823701113.db2.gz KWLNJKGDVVCEKF-UHFFFAOYSA-N 1 1 396.459 4.301 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000125758435 823705199 /nfs/dbraw/zinc/70/51/99/823705199.db2.gz NWVNYMAPYXTUSJ-GCJKJVERSA-N 1 1 398.526 4.121 20 0 GIADMO CCC(CC)n1nccc1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000574346750 823705644 /nfs/dbraw/zinc/70/56/44/823705644.db2.gz NJLJQXVSDNWCSU-IBGZPJMESA-N 1 1 380.492 4.098 20 0 GIADMO Cc1cc(-c2nnc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)o2)c(C)o1 ZINC000163399923 823706498 /nfs/dbraw/zinc/70/64/98/823706498.db2.gz JUIGXVHJRPJGNR-AEFFLSMTSA-N 1 1 385.464 4.408 20 0 GIADMO COc1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)ccc1SC ZINC000063916047 823711143 /nfs/dbraw/zinc/71/11/43/823711143.db2.gz CMBNCTDEXJSTGD-UHFFFAOYSA-N 1 1 379.529 4.381 20 0 GIADMO CS[C@H](C)CC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000125807064 823715693 /nfs/dbraw/zinc/71/56/93/823715693.db2.gz UQWFMUBUUZIXSD-WBVHZDCISA-N 1 1 388.499 4.041 20 0 GIADMO C[C@@H]1C[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)[C@H](C)O1 ZINC000413157960 823717939 /nfs/dbraw/zinc/71/79/39/823717939.db2.gz USYYDGOILFAMIR-LQWHRVPQSA-N 1 1 387.568 4.064 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@]3(CO)CC(C)C)cs2)c(OC)c1 ZINC000191649762 823724007 /nfs/dbraw/zinc/72/40/07/823724007.db2.gz DLUAZIJVXGTOCG-NRFANRHFSA-N 1 1 390.549 4.200 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000163586962 823725736 /nfs/dbraw/zinc/72/57/36/823725736.db2.gz BPJUGSJXIWOFCC-LJQANCHMSA-N 1 1 399.604 4.454 20 0 GIADMO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000191661097 823726148 /nfs/dbraw/zinc/72/61/48/823726148.db2.gz ZIIPTBDAGKCBRE-KRWDZBQOSA-N 1 1 392.849 4.170 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(-c3ccccn3)no2)cc1 ZINC000461865012 823727082 /nfs/dbraw/zinc/72/70/82/823727082.db2.gz GEFXNIMFSMSPNK-MRXNPFEDSA-N 1 1 376.460 4.363 20 0 GIADMO CCN(Cc1occc1C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000413205948 823727777 /nfs/dbraw/zinc/72/77/77/823727777.db2.gz QLHYJBHWWYGTCK-QGZVFWFLSA-N 1 1 375.538 4.093 20 0 GIADMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SC(F)F ZINC000125880845 823735622 /nfs/dbraw/zinc/73/56/22/823735622.db2.gz CXAWALVTHQJXPR-ZDUSSCGKSA-N 1 1 380.460 4.208 20 0 GIADMO COCOc1ccc(OC)cc1CNCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000163677734 823736126 /nfs/dbraw/zinc/73/61/26/823736126.db2.gz HDXAZZVEJVDBEM-LJQANCHMSA-N 1 1 398.547 4.200 20 0 GIADMO COCOc1ccc(OC)cc1CNCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000163677734 823736129 /nfs/dbraw/zinc/73/61/29/823736129.db2.gz HDXAZZVEJVDBEM-LJQANCHMSA-N 1 1 398.547 4.200 20 0 GIADMO COc1ccc(CCC[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000125883783 823736900 /nfs/dbraw/zinc/73/69/00/823736900.db2.gz GRNBYHLTHCCSBC-OAHLLOKOSA-N 1 1 392.446 4.188 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000163695304 823738062 /nfs/dbraw/zinc/73/80/62/823738062.db2.gz LVDNZOLUTVSCNJ-HNNXBMFYSA-N 1 1 375.900 4.093 20 0 GIADMO Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413248839 823738284 /nfs/dbraw/zinc/73/82/84/823738284.db2.gz XSVRUJIVPXYHIZ-KANFNMMFSA-N 1 1 385.552 4.067 20 0 GIADMO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000125892832 823738835 /nfs/dbraw/zinc/73/88/35/823738835.db2.gz USRITFRAJQVEDU-PBHICJAKSA-N 1 1 387.490 4.379 20 0 GIADMO O=C(NCc1ccc(COc2ccccc2)cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461890587 823740166 /nfs/dbraw/zinc/74/01/66/823740166.db2.gz NACLIQFTVYABRS-XMMPIXPASA-N 1 1 386.495 4.156 20 0 GIADMO O=C(NCc1ccc(COc2ccccc2)cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000461890587 823740173 /nfs/dbraw/zinc/74/01/73/823740173.db2.gz NACLIQFTVYABRS-XMMPIXPASA-N 1 1 386.495 4.156 20 0 GIADMO Cc1cc(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)oc1C ZINC000163711728 823740184 /nfs/dbraw/zinc/74/01/84/823740184.db2.gz IVLBUNRDEJFNLP-GOSISDBHSA-N 1 1 394.437 4.423 20 0 GIADMO O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1cc(C[NH+]2CCCC2)on1 ZINC000461913895 823752131 /nfs/dbraw/zinc/75/21/31/823752131.db2.gz BVCQLVLFRZPZJC-UHFFFAOYSA-N 1 1 387.911 4.166 20 0 GIADMO COCCOCc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000461915133 823752440 /nfs/dbraw/zinc/75/24/40/823752440.db2.gz RVXJZNQPAFJXQJ-IBGZPJMESA-N 1 1 396.531 4.334 20 0 GIADMO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000064142959 823754771 /nfs/dbraw/zinc/75/47/71/823754771.db2.gz PCZBZCZFPGGVDU-AWEZNQCLSA-N 1 1 380.460 4.259 20 0 GIADMO C[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)CC(F)(F)F ZINC000413336517 823754906 /nfs/dbraw/zinc/75/49/06/823754906.db2.gz VIQNUMYOVFHBRP-HNNXBMFYSA-N 1 1 397.441 4.299 20 0 GIADMO C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)CC(F)(F)F ZINC000413336517 823754911 /nfs/dbraw/zinc/75/49/11/823754911.db2.gz VIQNUMYOVFHBRP-HNNXBMFYSA-N 1 1 397.441 4.299 20 0 GIADMO O=C(NCC1(c2cccc(Cl)c2)CCCC1)c1cc(C[NH+]2CCCC2)on1 ZINC000461922556 823757058 /nfs/dbraw/zinc/75/70/58/823757058.db2.gz NIRTWYFCXPVEOB-UHFFFAOYSA-N 1 1 387.911 4.166 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2cnccc2C(C)(C)C)cc1 ZINC000413362528 823760329 /nfs/dbraw/zinc/76/03/29/823760329.db2.gz QLMRKGMXMDPCOX-MRXNPFEDSA-N 1 1 391.519 4.434 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000461931169 823762466 /nfs/dbraw/zinc/76/24/66/823762466.db2.gz LTTNMVXSQZHYBN-JSGCOSHPSA-N 1 1 383.439 4.036 20 0 GIADMO COc1c(C)c[nH+]c(CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000574552846 823763615 /nfs/dbraw/zinc/76/36/15/823763615.db2.gz NXTIPOJWIIMABB-UHFFFAOYSA-N 1 1 382.291 4.084 20 0 GIADMO C[C@@H](CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000413381532 823764215 /nfs/dbraw/zinc/76/42/15/823764215.db2.gz KRPAAXXJJGQIRP-CBZIJGRNSA-N 1 1 385.474 4.031 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1NC(=O)Cc1cccs1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413384986 823765082 /nfs/dbraw/zinc/76/50/82/823765082.db2.gz GDBSDVYQBHHVPY-XHSDSOJGSA-N 1 1 385.533 4.129 20 0 GIADMO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2sc(-c3ccccc3)nc2C)cn1C ZINC000574557103 823765699 /nfs/dbraw/zinc/76/56/99/823765699.db2.gz NBVZVZJZCVZIBT-HNNXBMFYSA-N 1 1 383.517 4.437 20 0 GIADMO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1cc(O)cc(C(F)(F)F)c1 ZINC000574560735 823766903 /nfs/dbraw/zinc/76/69/03/823766903.db2.gz MWXWZAAYXGENJN-UHFFFAOYSA-N 1 1 380.410 4.164 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000126020128 823767795 /nfs/dbraw/zinc/76/77/95/823767795.db2.gz SPBRWFKDGBJQRS-FGZHOGPDSA-N 1 1 375.447 4.125 20 0 GIADMO COc1ccc(C(C)(C)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000164066296 823774756 /nfs/dbraw/zinc/77/47/56/823774756.db2.gz VGLAAIPSHUYRGB-KRWDZBQOSA-N 1 1 382.504 4.005 20 0 GIADMO CCN(Cc1occc1C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000413429061 823776145 /nfs/dbraw/zinc/77/61/45/823776145.db2.gz AUEZXCPGYRCVLI-UNMCSNQZSA-N 1 1 397.519 4.106 20 0 GIADMO CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413446284 823779660 /nfs/dbraw/zinc/77/96/60/823779660.db2.gz YQCIRUAEGCWHFW-XYJFISCASA-N 1 1 385.474 4.175 20 0 GIADMO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000461980853 823781258 /nfs/dbraw/zinc/78/12/58/823781258.db2.gz DITAGNGLNUGZSN-JOCHJYFZSA-N 1 1 379.479 4.020 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)CCC3)cc1 ZINC000126077296 823781339 /nfs/dbraw/zinc/78/13/39/823781339.db2.gz ZMNRODSQXTYJIN-MJGOQNOKSA-N 1 1 393.512 4.012 20 0 GIADMO C[C@H](Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)c1ccn(C)n1 ZINC000413465946 823783169 /nfs/dbraw/zinc/78/31/69/823783169.db2.gz WNGKJPHBSVYBAM-AWEZNQCLSA-N 1 1 392.532 4.327 20 0 GIADMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1C ZINC000191824182 823784384 /nfs/dbraw/zinc/78/43/84/823784384.db2.gz IYNDVPXUIKEOBV-MDZLAQPJSA-N 1 1 398.290 4.235 20 0 GIADMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@H]1C ZINC000191824182 823784390 /nfs/dbraw/zinc/78/43/90/823784390.db2.gz IYNDVPXUIKEOBV-MDZLAQPJSA-N 1 1 398.290 4.235 20 0 GIADMO CN(Cc1ccccc1)c1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000164184776 823784443 /nfs/dbraw/zinc/78/44/43/823784443.db2.gz XQEMGQYOSNGFCN-OFNKIYASSA-N 1 1 392.547 4.271 20 0 GIADMO CC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)C1 ZINC000413477877 823785546 /nfs/dbraw/zinc/78/55/46/823785546.db2.gz WSTPAGRCHVCKAH-KGLIPLIRSA-N 1 1 397.363 4.092 20 0 GIADMO COc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c2cccnc12 ZINC000461990971 823786059 /nfs/dbraw/zinc/78/60/59/823786059.db2.gz XJAMTHJCTNKIHP-HXUWFJFHSA-N 1 1 375.472 4.237 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000413497172 823787619 /nfs/dbraw/zinc/78/76/19/823787619.db2.gz LERRUSYYOPBIHS-UXLLHSPISA-N 1 1 386.458 4.095 20 0 GIADMO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000064308922 823789001 /nfs/dbraw/zinc/78/90/01/823789001.db2.gz DHUFDUYUWBAHRH-UHFFFAOYSA-N 1 1 384.545 4.173 20 0 GIADMO CSCC[C@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)c1nnc2ccccn21 ZINC000164246199 823789301 /nfs/dbraw/zinc/78/93/01/823789301.db2.gz DZTDTBDZGZBPIR-CJNGLKHVSA-N 1 1 392.475 4.476 20 0 GIADMO COCc1ccccc1NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000064317307 823790038 /nfs/dbraw/zinc/79/00/38/823790038.db2.gz FMISMRFVXARAHJ-FQEVSTJZSA-N 1 1 392.421 4.226 20 0 GIADMO CC(C)CN(C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCCc2cccnc21 ZINC000164260039 823790901 /nfs/dbraw/zinc/79/09/01/823790901.db2.gz PSJFUNJIBIVJDT-PZJWPPBQSA-N 1 1 386.584 4.105 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cnc([C@@H]3CCCO3)s2)CC[N@H+]1Cc1ccccc1 ZINC000126118472 823792561 /nfs/dbraw/zinc/79/25/61/823792561.db2.gz YEOISWUJFBOYIO-QRQLOZEOSA-N 1 1 399.560 4.120 20 0 GIADMO CSCC[C@H]([NH2+][C@H](C)c1cnc2ccsc2c1)c1nnc2ccccn21 ZINC000164291682 823793903 /nfs/dbraw/zinc/79/39/03/823793903.db2.gz WFADOFIZAJLHIZ-CJNGLKHVSA-N 1 1 383.546 4.484 20 0 GIADMO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000164302324 823794747 /nfs/dbraw/zinc/79/47/47/823794747.db2.gz GXWIXIFGHCROGB-IBGZPJMESA-N 1 1 388.515 4.103 20 0 GIADMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000462013465 823794756 /nfs/dbraw/zinc/79/47/56/823794756.db2.gz FWLMDOIBCFBQMI-XMMPIXPASA-N 1 1 399.538 4.084 20 0 GIADMO CSCC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCCO2)c1nnc2ccccn21 ZINC000164313911 823795573 /nfs/dbraw/zinc/79/55/73/823795573.db2.gz OQMBIIPYIYAZCF-DOTOQJQBSA-N 1 1 398.532 4.036 20 0 GIADMO C[NH+](C)Cc1cccc(CNCc2cc(Br)ccc2OC(F)F)c1 ZINC000126153998 823801454 /nfs/dbraw/zinc/80/14/54/823801454.db2.gz OZYODAVRTQMUGS-UHFFFAOYSA-N 1 1 399.279 4.402 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccccc3COc3ccccc3)CC[C@@H]21 ZINC000164432606 823802583 /nfs/dbraw/zinc/80/25/83/823802583.db2.gz LBMGBHICCAPHQY-AVRDEDQJSA-N 1 1 379.504 4.214 20 0 GIADMO FC(F)c1cnc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)nc1 ZINC000413618555 823803977 /nfs/dbraw/zinc/80/39/77/823803977.db2.gz LWMIPUHQWFVTRN-UHFFFAOYSA-N 1 1 397.267 4.253 20 0 GIADMO Cc1ccc(F)c(NC(=S)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064377932 823804144 /nfs/dbraw/zinc/80/41/44/823804144.db2.gz HUVUBAFALIRMJR-OAHLLOKOSA-N 1 1 377.554 4.394 20 0 GIADMO CN(C)c1cccc(CNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000164467753 823804315 /nfs/dbraw/zinc/80/43/15/823804315.db2.gz CHYAGBADRBDHQZ-UHFFFAOYSA-N 1 1 395.551 4.234 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cnn(-c2ccccc2Cl)c1 ZINC000064382832 823806089 /nfs/dbraw/zinc/80/60/89/823806089.db2.gz CXELORMCKISVLV-IBGZPJMESA-N 1 1 398.894 4.076 20 0 GIADMO COCCOCc1ccc(C(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)cc1 ZINC000462039125 823807097 /nfs/dbraw/zinc/80/70/97/823807097.db2.gz YCLALVIEZGFMKI-UHFFFAOYSA-N 1 1 396.531 4.464 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)CC(F)F)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000413639260 823807837 /nfs/dbraw/zinc/80/78/37/823807837.db2.gz JLSNZIFYZCLMPI-QGZVFWFLSA-N 1 1 390.478 4.258 20 0 GIADMO COC(=O)C[C@](C)([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccncc1 ZINC000191902988 823808311 /nfs/dbraw/zinc/80/83/11/823808311.db2.gz MRVUMSRAKRFHAR-NRFANRHFSA-N 1 1 386.398 4.188 20 0 GIADMO COC(=O)C[C@@](C)([NH2+]Cc1cc(Br)ccc1Cl)c1ccncc1 ZINC000191905727 823808889 /nfs/dbraw/zinc/80/88/89/823808889.db2.gz ACFDTZRLGNQBEM-QGZVFWFLSA-N 1 1 397.700 4.066 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)c(OC)c1OC ZINC000164604302 823811569 /nfs/dbraw/zinc/81/15/69/823811569.db2.gz SEMZCXBTJILINC-NSHDSACASA-N 1 1 385.382 4.304 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000191919047 823811788 /nfs/dbraw/zinc/81/17/88/823811788.db2.gz NXHHQSCKUDAYCU-OAHLLOKOSA-N 1 1 386.458 4.053 20 0 GIADMO Brc1ccn2cc(C[NH2+]C[C@H](c3ccccc3)N3CCCC3)nc2c1 ZINC000574729956 823812440 /nfs/dbraw/zinc/81/24/40/823812440.db2.gz WSNXKUVEHVZRGK-LJQANCHMSA-N 1 1 399.336 4.024 20 0 GIADMO CCCOc1cc(OC)ccc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191924543 823812857 /nfs/dbraw/zinc/81/28/57/823812857.db2.gz IHYFDFFVPSRBQM-FQEVSTJZSA-N 1 1 396.531 4.078 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000574731464 823813042 /nfs/dbraw/zinc/81/30/42/823813042.db2.gz BARIARIXXBFZKP-QGZVFWFLSA-N 1 1 393.959 4.183 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000191929423 823813835 /nfs/dbraw/zinc/81/38/35/823813835.db2.gz MMAZFFGWZJDWSM-SFHVURJKSA-N 1 1 377.488 4.494 20 0 GIADMO C[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462055718 823814771 /nfs/dbraw/zinc/81/47/71/823814771.db2.gz QORGDNNIGNQUBZ-ZFWWWQNUSA-N 1 1 397.332 4.215 20 0 GIADMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1nc(C(C)(C)C)cs1 ZINC000126242258 823819318 /nfs/dbraw/zinc/81/93/18/823819318.db2.gz JJPANGNFJHSCAG-ZMSDIMECSA-N 1 1 390.597 4.160 20 0 GIADMO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3nccs3)C2=O)ccc1Br ZINC000164778095 823819541 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823836028 /nfs/dbraw/zinc/83/60/28/823836028.db2.gz IXMLQMLYQZLSLG-KRWDZBQOSA-N 1 1 379.529 4.247 20 0 GIADMO O=C(CSc1ccc(F)cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064522321 823836184 /nfs/dbraw/zinc/83/61/84/823836184.db2.gz ZFYPUMDYFBFTNP-HNNXBMFYSA-N 1 1 378.538 4.008 20 0 GIADMO O=C(CC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc(F)cc1 ZINC000165153219 823836637 /nfs/dbraw/zinc/83/66/37/823836637.db2.gz KHSYDQYHCTYRKO-JOCHJYFZSA-N 1 1 391.446 4.124 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](C)CC(F)(F)F)CC1)CC1CC1 ZINC000413765267 823836921 /nfs/dbraw/zinc/83/69/21/823836921.db2.gz OESWPWKBTUCGMC-HNNXBMFYSA-N 1 1 377.495 4.119 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2c(CC)nc3ccc(Cl)cn32)CC1 ZINC000462125651 823837536 /nfs/dbraw/zinc/83/75/36/823837536.db2.gz AGAMGWBVGUYTDQ-UHFFFAOYSA-N 1 1 390.959 4.134 20 0 GIADMO COc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000192045958 823843090 /nfs/dbraw/zinc/84/30/90/823843090.db2.gz BWMRQBFKPMHZIZ-HKUYNNGSSA-N 1 1 385.851 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823846150 /nfs/dbraw/zinc/84/61/50/823846150.db2.gz YILNXMPGGASVLR-UHFFFAOYSA-N 1 1 375.925 4.412 20 0 GIADMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)nnn1-c1cccc(Cl)c1 ZINC000165380195 823846484 /nfs/dbraw/zinc/84/64/84/823846484.db2.gz GMSYQBHEERDNOD-QWHCGFSZSA-N 1 1 398.898 4.132 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000064564703 823847626 /nfs/dbraw/zinc/84/76/26/823847626.db2.gz ZSHODFOCCXKEIW-OAHLLOKOSA-N 1 1 385.386 4.122 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(-c2cscn2)c1 ZINC000462159760 823848656 /nfs/dbraw/zinc/84/86/56/823848656.db2.gz SHOAXJVAVHNOKR-JXFKEZNVSA-N 1 1 377.513 4.060 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000126360926 823848755 /nfs/dbraw/zinc/84/87/55/823848755.db2.gz XZFGQPSFOXWASZ-KBXCAEBGSA-N 1 1 399.457 4.322 20 0 GIADMO C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462161921 823849770 /nfs/dbraw/zinc/84/97/70/823849770.db2.gz 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C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000462184607 823859156 /nfs/dbraw/zinc/85/91/56/823859156.db2.gz BCZPCPLZFXCCDS-UZLBHIALSA-N 1 1 390.449 4.432 20 0 GIADMO Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(Br)s1 ZINC000462194528 823863619 /nfs/dbraw/zinc/86/36/19/823863619.db2.gz ILEWXTGMTXNYOK-LRDDRELGSA-N 1 1 393.350 4.069 20 0 GIADMO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000574934389 823864033 /nfs/dbraw/zinc/86/40/33/823864033.db2.gz NPVRPNIEXFGOJY-UHFFFAOYSA-N 1 1 390.483 4.105 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000574934389 823864041 /nfs/dbraw/zinc/86/40/41/823864041.db2.gz NPVRPNIEXFGOJY-UHFFFAOYSA-N 1 1 390.483 4.105 20 0 GIADMO Cc1csc(Sc2ccc(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)c(C)c2)n1 ZINC000165960681 823866968 /nfs/dbraw/zinc/86/69/68/823866968.db2.gz IGBLQWUCSULZRA-CQSZACIVSA-N 1 1 393.603 4.287 20 0 GIADMO Cc1csc(Sc2ccc(NC(=O)C[N@H+](C)[C@@H]3CCSC3)c(C)c2)n1 ZINC000165960681 823866971 /nfs/dbraw/zinc/86/69/71/823866971.db2.gz IGBLQWUCSULZRA-CQSZACIVSA-N 1 1 393.603 4.287 20 0 GIADMO CCc1nc2c(s1)[C@@H](N[C@@H](CC[N@@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994193 823867941 /nfs/dbraw/zinc/86/79/41/823867941.db2.gz YAJDSCJFKFSKFY-OALUTQOASA-N 1 1 387.593 4.382 20 0 GIADMO O=C(Cn1ccc2ccc(Cl)cc21)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000064709458 823868599 /nfs/dbraw/zinc/86/85/99/823868599.db2.gz RBLFWTQTEMRCSD-UHFFFAOYSA-N 1 1 399.897 4.168 20 0 GIADMO O=C(Cn1ccc2ccc(Cl)cc21)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000064709458 823868606 /nfs/dbraw/zinc/86/86/06/823868606.db2.gz RBLFWTQTEMRCSD-UHFFFAOYSA-N 1 1 399.897 4.168 20 0 GIADMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)c1cccc(Br)c1)CC2 ZINC000462209761 823873301 /nfs/dbraw/zinc/87/33/01/823873301.db2.gz KCFCPUQNZOIBBI-QGTPRVQTSA-N 1 1 379.342 4.026 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NCC3(C)CCC(C)(C)CC3)CC2)cs1 ZINC000413945490 823873687 /nfs/dbraw/zinc/87/36/87/823873687.db2.gz MTFSDPKPJUYWHP-UHFFFAOYSA-N 1 1 377.598 4.386 20 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/nfs/dbraw/zinc/89/54/14/823895414.db2.gz SZINVJGNDFQAEH-CSKARUKUSA-N 1 1 395.894 4.097 20 0 GIADMO CCN(C(=O)c1cc(NC(C)=O)ccc1F)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000126552020 823896648 /nfs/dbraw/zinc/89/66/48/823896648.db2.gz RQVHMGRNCXOLOO-JXFKEZNVSA-N 1 1 397.494 4.082 20 0 GIADMO C[C@@H]([NH2+]CC(C)(C)N[C@@H](C)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000167860173 823897033 /nfs/dbraw/zinc/89/70/33/823897033.db2.gz GXLIYRIVFVECCL-MSOLQXFVSA-N 1 1 381.520 4.423 20 0 GIADMO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)CC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000167848492 823897106 /nfs/dbraw/zinc/89/71/06/823897106.db2.gz OIFHDCVDWVFHIA-JKSUJKDBSA-N 1 1 388.943 4.171 20 0 GIADMO CC(C)N1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000167904866 823898108 /nfs/dbraw/zinc/89/81/08/823898108.db2.gz MFRYVSBHYSSLNL-UHFFFAOYSA-N 1 1 384.395 4.420 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2C)[NH2+][C@H](C)c2ccn(C)n2)cc1OC ZINC000414066123 823899816 /nfs/dbraw/zinc/89/98/16/823899816.db2.gz GRSGLVNHGGQYKN-UTKZUKDTSA-N 1 1 379.504 4.380 20 0 GIADMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000168269703 823901588 /nfs/dbraw/zinc/90/15/88/823901588.db2.gz BIPKOXQIYZAZEV-LBPRGKRZSA-N 1 1 398.391 4.486 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OCCOc2ccc(Cl)cc2)cc1)c1ccn(C)n1 ZINC000414073498 823901808 /nfs/dbraw/zinc/90/18/08/823901808.db2.gz MDVGJUZBRLDPCS-INIZCTEOSA-N 1 1 385.895 4.382 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000462259036 823902292 /nfs/dbraw/zinc/90/22/92/823902292.db2.gz MNSSUCUIGBJPAY-MGPUTAFESA-N 1 1 390.487 4.347 20 0 GIADMO CCC(CC)[C@H](CNC(=O)c1ccccc1SC(C)C)[NH+]1CCOCC1 ZINC000064862555 823903484 /nfs/dbraw/zinc/90/34/84/823903484.db2.gz YGHMKCPBINZDKR-IBGZPJMESA-N 1 1 378.582 4.054 20 0 GIADMO C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC12CCCCC2 ZINC000462262573 823904240 /nfs/dbraw/zinc/90/42/40/823904240.db2.gz LVZKITTYLUKLDN-FQEVSTJZSA-N 1 1 399.579 4.386 20 0 GIADMO C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 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823925395 /nfs/dbraw/zinc/92/53/95/823925395.db2.gz JHMSDPCOQYPGCT-KDOFPFPSSA-N 1 1 398.981 4.071 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000170647533 823925462 /nfs/dbraw/zinc/92/54/62/823925462.db2.gz PZQXXKJCXGFRHQ-CQSZACIVSA-N 1 1 391.899 4.342 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000170647533 823925474 /nfs/dbraw/zinc/92/54/74/823925474.db2.gz PZQXXKJCXGFRHQ-CQSZACIVSA-N 1 1 391.899 4.342 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000170647278 823925609 /nfs/dbraw/zinc/92/56/09/823925609.db2.gz KAQHAGNVSUVYAA-HXUWFJFHSA-N 1 1 397.519 4.007 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000170647554 823925763 /nfs/dbraw/zinc/92/57/63/823925763.db2.gz FSIGJYCKUPINQX-HNNXBMFYSA-N 1 1 388.537 4.233 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000170647554 823925771 /nfs/dbraw/zinc/92/57/71/823925771.db2.gz FSIGJYCKUPINQX-HNNXBMFYSA-N 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823929352 /nfs/dbraw/zinc/92/93/52/823929352.db2.gz ITZYLASFEBHNQR-GOSISDBHSA-N 1 1 395.956 4.268 20 0 GIADMO CN1CC[NH+](Cc2ccc(C(=O)Nc3cccc(OC4CCCC4)c3)cc2)CC1 ZINC000065053971 823931366 /nfs/dbraw/zinc/93/13/66/823931366.db2.gz XRBNSKWPJPCMPG-UHFFFAOYSA-N 1 1 393.531 4.008 20 0 GIADMO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@@H+]1CCCc1ccncc1 ZINC000462343259 823932317 /nfs/dbraw/zinc/93/23/17/823932317.db2.gz VLIXCMJFVCWCTQ-JOCHJYFZSA-N 1 1 394.494 4.029 20 0 GIADMO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CCCc1ccncc1 ZINC000462343259 823932322 /nfs/dbraw/zinc/93/23/22/823932322.db2.gz VLIXCMJFVCWCTQ-JOCHJYFZSA-N 1 1 394.494 4.029 20 0 GIADMO CCCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1OC ZINC000414225194 823933078 /nfs/dbraw/zinc/93/30/78/823933078.db2.gz BCQXUJZATVAKIW-INIZCTEOSA-N 1 1 391.533 4.128 20 0 GIADMO CCCOc1ccc(Br)cc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000462347091 823934362 /nfs/dbraw/zinc/93/43/62/823934362.db2.gz PNTQSAHDHJUTOC-QGZVFWFLSA-N 1 1 382.273 4.200 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414231849 823934562 /nfs/dbraw/zinc/93/45/62/823934562.db2.gz CKCDBCFHJIVKLE-CYBMUJFWSA-N 1 1 380.414 4.126 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccnc(Cl)c1 ZINC000126718869 823934679 /nfs/dbraw/zinc/93/46/79/823934679.db2.gz ZSWHRQJMAMCCBC-CABCVRRESA-N 1 1 376.907 4.038 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000170679328 823935655 /nfs/dbraw/zinc/93/56/55/823935655.db2.gz CUKGGWALAGEAEN-XZOQPEGZSA-N 1 1 395.547 4.246 20 0 GIADMO CN(Cc1ccc(Cl)s1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000575203143 823937825 /nfs/dbraw/zinc/93/78/25/823937825.db2.gz CIFWQIRVIJAXDI-VXGBXAGGSA-N 1 1 382.879 4.269 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126742643 823940057 /nfs/dbraw/zinc/94/00/57/823940057.db2.gz YKEIBQWXHWIKQI-VGOFRKELSA-N 1 1 395.478 4.100 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126742643 823940067 /nfs/dbraw/zinc/94/00/67/823940067.db2.gz YKEIBQWXHWIKQI-VGOFRKELSA-N 1 1 395.478 4.100 20 0 GIADMO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1)n2CC ZINC000575212820 823940245 /nfs/dbraw/zinc/94/02/45/823940245.db2.gz IRLHFZVURWWYQJ-MRXNPFEDSA-N 1 1 395.503 4.002 20 0 GIADMO O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126751057 823942003 /nfs/dbraw/zinc/94/20/03/823942003.db2.gz UYEWESQOEYLNMU-HNAYVOBHSA-N 1 1 385.895 4.084 20 0 GIADMO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC000126763384 823945239 /nfs/dbraw/zinc/94/52/39/823945239.db2.gz XOSSGAJMVZPNMK-MSOLQXFVSA-N 1 1 385.527 4.388 20 0 GIADMO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126765681 823945559 /nfs/dbraw/zinc/94/55/59/823945559.db2.gz HGZCIXWJGSTWCP-HXOBKFHXSA-N 1 1 377.532 4.136 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000065140516 823950817 /nfs/dbraw/zinc/95/08/17/823950817.db2.gz ZZBLPYGDTCSMIW-DENIHFKCSA-N 1 1 398.506 4.483 20 0 GIADMO O=C(C[N@H+](Cc1ccccc1)CC1CCC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000065161748 823954857 /nfs/dbraw/zinc/95/48/57/823954857.db2.gz VUBVDFBSYRKNPL-HSZRJFAPSA-N 1 1 396.506 4.028 20 0 GIADMO c1ccc(C[N@@H+]2CCCO[C@@H](CNCc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355468 823957784 /nfs/dbraw/zinc/95/77/84/823957784.db2.gz FNMYMXYCIMZWFP-VWLOTQADSA-N 1 1 387.527 4.129 20 0 GIADMO c1ccc(C[N@H+]2CCCO[C@@H](CNCc3cccc(-c4cccnc4)c3)C2)cc1 ZINC000192355468 823957789 /nfs/dbraw/zinc/95/77/89/823957789.db2.gz FNMYMXYCIMZWFP-VWLOTQADSA-N 1 1 387.527 4.129 20 0 GIADMO CSCCc1ccc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000575622497 823979434 /nfs/dbraw/zinc/97/94/34/823979434.db2.gz HEIXIHGTLGNNFM-UHFFFAOYSA-N 1 1 384.549 4.217 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(C)c1Br ZINC000192420172 823982395 /nfs/dbraw/zinc/98/23/95/823982395.db2.gz JJUPAKPHHNXVNE-ZBFHGGJFSA-N 1 1 380.330 4.014 20 0 GIADMO CC(C)(C)[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(F)(F)F ZINC000575736619 823983458 /nfs/dbraw/zinc/98/34/58/823983458.db2.gz ZEXBPVXMAUIPIH-PXNSSMCTSA-N 1 1 397.485 4.271 20 0 GIADMO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000575737545 823983720 /nfs/dbraw/zinc/98/37/20/823983720.db2.gz FMAWOEUSUQGGOH-MRXNPFEDSA-N 1 1 399.897 4.045 20 0 GIADMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000414437067 823986010 /nfs/dbraw/zinc/98/60/10/823986010.db2.gz TXEOCASGRVJCND-OAHLLOKOSA-N 1 1 380.414 4.075 20 0 GIADMO c1cc2c(ccnc2N2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)s1 ZINC000575781536 823993676 /nfs/dbraw/zinc/99/36/76/823993676.db2.gz GQVAKWYXIVAELQ-UHFFFAOYSA-N 1 1 387.512 4.076 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)cc2)cs1 ZINC000414489176 823993965 /nfs/dbraw/zinc/99/39/65/823993965.db2.gz SMZWDYNZADEAKK-IRLDBZIGSA-N 1 1 380.513 4.338 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000575783668 823994280 /nfs/dbraw/zinc/99/42/80/823994280.db2.gz BDVFUHSJESIPOA-CQSZACIVSA-N 1 1 387.446 4.246 20 0 GIADMO FC(F)(F)c1cccc(C2(c3noc(Cn4c[nH+]c5c4CCCC5)n3)CC2)c1 ZINC000575785877 823995451 /nfs/dbraw/zinc/99/54/51/823995451.db2.gz ZUFRJHPEGDKVES-UHFFFAOYSA-N 1 1 388.393 4.292 20 0 GIADMO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000170871189 823995742 /nfs/dbraw/zinc/99/57/42/823995742.db2.gz PMYFEMVQADETHX-RDTXWAMCSA-N 1 1 378.563 4.224 20 0 GIADMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000170871189 823995748 /nfs/dbraw/zinc/99/57/48/823995748.db2.gz PMYFEMVQADETHX-RDTXWAMCSA-N 1 1 378.563 4.224 20 0 GIADMO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000170871185 823995765 /nfs/dbraw/zinc/99/57/65/823995765.db2.gz PMYFEMVQADETHX-KDOFPFPSSA-N 1 1 378.563 4.224 20 0 GIADMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000170871185 823995772 /nfs/dbraw/zinc/99/57/72/823995772.db2.gz PMYFEMVQADETHX-KDOFPFPSSA-N 1 1 378.563 4.224 20 0 GIADMO COc1ccc(NC(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)cc1OC ZINC000127007773 823999926 /nfs/dbraw/zinc/99/99/26/823999926.db2.gz KOWDYDLZQVHKIS-IBGZPJMESA-N 1 1 397.519 4.073 20 0 GIADMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3n(C)c2=O)CCN1Cc1ccccc1 ZINC000575822586 824004208 /nfs/dbraw/zinc/00/42/08/824004208.db2.gz PWKNLKVEKJHXHU-XXBNENTESA-N 1 1 389.543 4.023 20 0 GIADMO C[C@@H]1C[C@@H](N(C)Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000575822586 824004234 /nfs/dbraw/zinc/00/42/34/824004234.db2.gz PWKNLKVEKJHXHU-XXBNENTESA-N 1 1 389.543 4.023 20 0 GIADMO C[C@@H]1C[C@@H](N(C)Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000575822586 824004239 /nfs/dbraw/zinc/00/42/39/824004239.db2.gz PWKNLKVEKJHXHU-XXBNENTESA-N 1 1 389.543 4.023 20 0 GIADMO CC(C)[C@@H]1[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC12CCOCC2 ZINC000414538709 824005409 /nfs/dbraw/zinc/00/54/09/824005409.db2.gz MKQBXKGCVJHKRY-KRWDZBQOSA-N 1 1 375.406 4.404 20 0 GIADMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414540501 824005718 /nfs/dbraw/zinc/00/57/18/824005718.db2.gz BSSZFDPXVZUZBF-QHCPKHFHSA-N 1 1 388.515 4.238 20 0 GIADMO CCN(CC)C(=O)C1CC[NH+](Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000575843914 824010277 /nfs/dbraw/zinc/01/02/77/824010277.db2.gz DGDHQHBUQSEQKK-UHFFFAOYSA-N 1 1 386.367 4.140 20 0 GIADMO CC(C)[N@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C[C@H]1CCC(=O)N1 ZINC000414565587 824014025 /nfs/dbraw/zinc/01/40/25/824014025.db2.gz YYVSIBSJBKFOQR-GOSISDBHSA-N 1 1 399.922 4.081 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2nc(-c3ccc(OC)cc3OC)no2)C2CC2)cc1 ZINC000192508359 824014981 /nfs/dbraw/zinc/01/49/81/824014981.db2.gz ROMUVFUUKDWBJL-OAQYLSRUSA-N 1 1 395.459 4.003 20 0 GIADMO Cc1cc(NC(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)n(C(C)(C)C)n1 ZINC000127096405 824016627 /nfs/dbraw/zinc/01/66/27/824016627.db2.gz ZWNCDJRYAXWWDP-LJQANCHMSA-N 1 1 397.567 4.316 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1 ZINC000575907602 824026574 /nfs/dbraw/zinc/02/65/74/824026574.db2.gz NRDCANZGHWJBSH-NQIIRXRSSA-N 1 1 384.520 4.185 20 0 GIADMO CCNC(=O)COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)cc1OC ZINC000575907465 824026602 /nfs/dbraw/zinc/02/66/02/824026602.db2.gz HNKDRVAZTJDOMH-WIYYLYMNSA-N 1 1 396.531 4.183 20 0 GIADMO COc1cccc(SCC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000575913939 824028705 /nfs/dbraw/zinc/02/87/05/824028705.db2.gz SQUJHGYFBYCMIZ-FQEVSTJZSA-N 1 1 398.572 4.206 20 0 GIADMO CC(C)(C)n1nc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1C1CC1 ZINC000575942253 824033561 /nfs/dbraw/zinc/03/35/61/824033561.db2.gz BXDGWSDJZTZUGT-LJQANCHMSA-N 1 1 386.584 4.290 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc3c(s2)COCC3)c1 ZINC000171018128 824038537 /nfs/dbraw/zinc/03/85/37/824038537.db2.gz AYZQOOUFAMLRJK-UHFFFAOYSA-N 1 1 393.512 4.100 20 0 GIADMO c1ccc2c(c1)C[C@H]1C[N@@H+](Cc3ccccc3OCc3cccnc3)CCCN21 ZINC000575962499 824039487 /nfs/dbraw/zinc/03/94/87/824039487.db2.gz IGJBEFWXOMTQIE-QHCPKHFHSA-N 1 1 385.511 4.298 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(COC)cc1 ZINC000192595302 824040905 /nfs/dbraw/zinc/04/09/05/824040905.db2.gz PFJJSNVAOOFSJK-OAQYLSRUSA-N 1 1 381.520 4.209 20 0 GIADMO S=c1ncccn1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171025780 824041345 /nfs/dbraw/zinc/04/13/45/824041345.db2.gz HKBPXQDSOQAELX-CQSZACIVSA-N 1 1 387.896 4.153 20 0 GIADMO S=c1ncccn1C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171025780 824041350 /nfs/dbraw/zinc/04/13/50/824041350.db2.gz HKBPXQDSOQAELX-CQSZACIVSA-N 1 1 387.896 4.153 20 0 GIADMO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000575981914 824043617 /nfs/dbraw/zinc/04/36/17/824043617.db2.gz IOASVOUFEAVIFB-OAHLLOKOSA-N 1 1 394.357 4.170 20 0 GIADMO Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1 ZINC000414893012 824046738 /nfs/dbraw/zinc/04/67/38/824046738.db2.gz JYBPOUHUMAWXES-ZEQRLZLVSA-N 1 1 391.490 4.035 20 0 GIADMO Clc1cccc(Cl)c1CCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000192623301 824048127 /nfs/dbraw/zinc/04/81/27/824048127.db2.gz WTBGGNZUAQVXPE-CQSZACIVSA-N 1 1 379.335 4.343 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NCC3(c4ccc(Cl)cc4)CCC3)CC2)[nH+]c1 ZINC000171052870 824048599 /nfs/dbraw/zinc/04/85/99/824048599.db2.gz PRXAMZUAZQRLJL-UHFFFAOYSA-N 1 1 397.950 4.498 20 0 GIADMO CCn1c(C[NH+]2CCC(OCCc3ccccc3)CC2)nc2cc(F)ccc21 ZINC000171054484 824049242 /nfs/dbraw/zinc/04/92/42/824049242.db2.gz KOYXPJHDDZUVAG-UHFFFAOYSA-N 1 1 381.495 4.419 20 0 GIADMO CCC(CC)(CN[C@H](c1nnc[nH]1)c1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000576023559 824051805 /nfs/dbraw/zinc/05/18/05/824051805.db2.gz VJWGQXDQFVYQOL-RXVVDRJESA-N 1 1 377.536 4.393 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCS3)n2Cc2ccccc2)C1 ZINC000576027405 824052788 /nfs/dbraw/zinc/05/27/88/824052788.db2.gz FPZKUYBIBPFFJD-VQTJNVASSA-N 1 1 399.608 4.063 20 0 GIADMO COc1ccc([C@H](O)[C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978594 209208814 /nfs/dbraw/zinc/20/88/14/209208814.db2.gz OKXZBWPTVSDXCS-QUCCMNQESA-N 1 1 399.878 4.097 20 0 GIADMO Cc1nc2cc(F)ccc2c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164624354 719068233 /nfs/dbraw/zinc/06/82/33/719068233.db2.gz LJTRQUSBMJCDFM-PGRDOPGGSA-N 1 1 376.479 4.178 20 0 GIADMO Cc1c[nH]c2nc(Cl)nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c12 ZINC001164625921 719070261 /nfs/dbraw/zinc/07/02/61/719070261.db2.gz NTGHREHBQDFJMK-DLBZAZTESA-N 1 1 381.911 4.021 20 0 GIADMO Cc1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(Cl)n1 ZINC001164629914 719070821 /nfs/dbraw/zinc/07/08/21/719070821.db2.gz ZYGVZAHCVKWQOX-DLBZAZTESA-N 1 1 392.881 4.084 20 0 GIADMO Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(Cl)n1 ZINC001164629916 719071337 /nfs/dbraw/zinc/07/13/37/719071337.db2.gz ZYGVZAHCVKWQOX-IAGOWNOFSA-N 1 1 392.881 4.084 20 0 GIADMO Cc1cc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)nn1 ZINC001164622662 719099532 /nfs/dbraw/zinc/09/95/32/719099532.db2.gz CFKCLHCEYQNIMU-FUHWJXTLSA-N 1 1 392.881 4.084 20 0 GIADMO c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(COC5CCC5)cn4)[C@@H]3C2)cc1 ZINC001164628984 719108768 /nfs/dbraw/zinc/10/87/68/719108768.db2.gz PJTRRPFZPFQKMK-JTHBVZDNSA-N 1 1 377.532 4.252 20 0 GIADMO c1cc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nn2)cs1 ZINC001164630074 719108930 /nfs/dbraw/zinc/10/89/30/719108930.db2.gz UWPRJAGCQPNDEM-NQIIRXRSSA-N 1 1 376.529 4.306 20 0 GIADMO c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(COC5CCC5)cn4)[C@H]3C2)cc1 ZINC001164628982 719109232 /nfs/dbraw/zinc/10/92/32/719109232.db2.gz PJTRRPFZPFQKMK-GGAORHGYSA-N 1 1 377.532 4.252 20 0 GIADMO CC(C)c1ccc2ncnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2c1 ZINC001164651362 719315652 /nfs/dbraw/zinc/31/56/52/719315652.db2.gz KAVYPGMRNFAEIR-UHFFFAOYSA-N 1 1 392.551 4.155 20 0 GIADMO CC(C)c1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc(C(C)(C)C)n1 ZINC001164650468 719316236 /nfs/dbraw/zinc/31/62/36/719316236.db2.gz DVRYIYNWTIDNAL-UHFFFAOYSA-N 1 1 398.599 4.299 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(Cl)cc3n1)C2 ZINC001164815875 720140380 /nfs/dbraw/zinc/14/03/80/720140380.db2.gz WRMRUKJHIYYAGM-MBSDFSHPSA-N 1 1 399.966 4.381 20 0 GIADMO CC(C)c1cc2c(ncnc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)s1 ZINC001164722139 720330452 /nfs/dbraw/zinc/33/04/52/720330452.db2.gz FENQXTYLNCCHGO-ROUUACIJSA-N 1 1 379.533 4.063 20 0 GIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724463 720336635 /nfs/dbraw/zinc/33/66/35/720336635.db2.gz KCWNJPYDMOOIRN-CABCVRRESA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724463 720336641 /nfs/dbraw/zinc/33/66/41/720336641.db2.gz KCWNJPYDMOOIRN-CABCVRRESA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730489 720341737 /nfs/dbraw/zinc/34/17/37/720341737.db2.gz ZSKQCOWLNXHQEH-LSDHHAIUSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730489 720341743 /nfs/dbraw/zinc/34/17/43/720341743.db2.gz 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CSc1cc(Cl)cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164956171 722021226 /nfs/dbraw/zinc/02/12/26/722021226.db2.gz XKSYLBSESZHHJW-UHFFFAOYSA-N 1 1 388.968 4.344 20 0 GIADMO c1csc(-c2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ncn2)c1 ZINC001164955239 722022420 /nfs/dbraw/zinc/02/24/20/722022420.db2.gz BIIJHLOELYCKOR-UHFFFAOYSA-N 1 1 391.544 4.093 20 0 GIADMO COc1cccc2c1ccnc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955694 722023094 /nfs/dbraw/zinc/02/30/94/722023094.db2.gz NNRWIQAKUGYGDT-UHFFFAOYSA-N 1 1 388.515 4.131 20 0 GIADMO CCc1cc2c(ccnc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)o1 ZINC001164957977 722024417 /nfs/dbraw/zinc/02/44/17/722024417.db2.gz CPCAACDBUCOIHD-UHFFFAOYSA-N 1 1 376.504 4.278 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4ncccc42)C3)c1 ZINC001164995238 722194430 /nfs/dbraw/zinc/19/44/30/722194430.db2.gz SVANHGALISZBRB-OAQYLSRUSA-N 1 1 397.885 4.062 20 0 GIADMO CCOCc1cccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175808394 823045273 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CCS(=O)(=O)c1ccc2oc(C[N@H+](Cc3ccccc3)[C@H](C)C3CC3)nc2c1 ZINC000121332787 823164965 /nfs/dbraw/zinc/16/49/65/823164965.db2.gz FUSNYKSZAZGBKP-MRXNPFEDSA-N 1 1 398.528 4.422 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+](Cc3ccccc3)[C@H](C)C3CC3)nc2c1 ZINC000121332787 823164967 /nfs/dbraw/zinc/16/49/67/823164967.db2.gz FUSNYKSZAZGBKP-MRXNPFEDSA-N 1 1 398.528 4.422 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccncc3C(F)(F)F)C2)s1 ZINC000571336773 823167016 /nfs/dbraw/zinc/16/70/16/823167016.db2.gz OXCXENWVLPNVEW-AWEZNQCLSA-N 1 1 397.466 4.064 20 0 GIADMO C[C@@H](c1cccc(NCc2cccc(O)c2Br)c1)[NH+]1CCOCC1 ZINC000459349160 823167779 /nfs/dbraw/zinc/16/77/79/823167779.db2.gz IAKFYOOHLWEFAM-AWEZNQCLSA-N 1 1 391.309 4.160 20 0 GIADMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000571342294 823168368 /nfs/dbraw/zinc/16/83/68/823168368.db2.gz ZFZMRCXMJXQOAZ-SFHVURJKSA-N 1 1 375.472 4.104 20 0 GIADMO CCCCOC1CC[NH+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459357350 823170335 /nfs/dbraw/zinc/17/03/35/823170335.db2.gz CUXBDPXNNUOCIG-UHFFFAOYSA-N 1 1 386.330 4.335 20 0 GIADMO COc1ccccc1C(C)(C)c1noc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000571370317 823172958 /nfs/dbraw/zinc/17/29/58/823172958.db2.gz SMVWCMRGKKHQSF-GOSISDBHSA-N 1 1 392.503 4.179 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188021165 823173377 /nfs/dbraw/zinc/17/33/77/823173377.db2.gz VDGDOFGYJGMBQS-FUHWJXTLSA-N 1 1 382.470 4.217 20 0 GIADMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000121378180 823173506 /nfs/dbraw/zinc/17/35/06/823173506.db2.gz NVSFRDKVSFBMOH-UHFFFAOYSA-N 1 1 394.393 4.142 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000459373893 823175802 /nfs/dbraw/zinc/17/58/02/823175802.db2.gz IPPQQUOLJONCKI-QGZVFWFLSA-N 1 1 391.519 4.370 20 0 GIADMO c1c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459376065 823176337 /nfs/dbraw/zinc/17/63/37/823176337.db2.gz NMSOQLMYSZZXCZ-HSZRJFAPSA-N 1 1 380.536 4.453 20 0 GIADMO Cc1ccc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nc1C ZINC000571403668 823178199 /nfs/dbraw/zinc/17/81/99/823178199.db2.gz PAGZRTDEFMBRDJ-GOSISDBHSA-N 1 1 380.536 4.072 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000188053239 823178250 /nfs/dbraw/zinc/17/82/50/823178250.db2.gz MBNVLDUVAFQHMY-DOMZBBRYSA-N 1 1 381.307 4.434 20 0 GIADMO CCN(C(=O)NCc1noc2ccccc12)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000571417893 823179972 /nfs/dbraw/zinc/17/99/72/823179972.db2.gz VCTGUIBRDITTGU-PKOBYXMFSA-N 1 1 392.503 4.195 20 0 GIADMO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc(COc4cccc(F)c4)no3)C2)c1 ZINC000188065405 823180849 /nfs/dbraw/zinc/18/08/49/823180849.db2.gz RQFCIMBVEXLNSI-MRXNPFEDSA-N 1 1 385.414 4.306 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000056611643 823180924 /nfs/dbraw/zinc/18/09/24/823180924.db2.gz NRBVFAGBOSBFPO-QFIPXVFZSA-N 1 1 399.535 4.011 20 0 GIADMO CCC[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1cccc(C(F)(F)F)c1 ZINC000571428247 823181576 /nfs/dbraw/zinc/18/15/76/823181576.db2.gz PFZHUMNYHYXOLH-QAPCUYQASA-N 1 1 379.426 4.430 20 0 GIADMO Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459412748 823187386 /nfs/dbraw/zinc/18/73/86/823187386.db2.gz RQNLPRAZVAOVNI-OAQYLSRUSA-N 1 1 387.462 4.374 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N(CCC(F)(F)F)CC1CC1)c1ccccc1Cl ZINC000176353675 823189845 /nfs/dbraw/zinc/18/98/45/823189845.db2.gz NNJJQBCKLVLFBI-MRXNPFEDSA-N 1 1 391.865 4.317 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3sccc3OC(F)F)c2)C[C@@H](C)O1 ZINC000121466166 823189884 /nfs/dbraw/zinc/18/98/84/823189884.db2.gz SQTZBMFELJACCI-CHWSQXEVSA-N 1 1 396.459 4.211 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@@H]3CCOc4ccccc43)c2)C[C@@H](C)O1 ZINC000121482269 823192654 /nfs/dbraw/zinc/19/26/54/823192654.db2.gz HTVYPQOJOPGINV-GGPKGHCWSA-N 1 1 394.515 4.191 20 0 GIADMO CCOc1cc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)cc(Br)c1O ZINC000459444561 823193258 /nfs/dbraw/zinc/19/32/58/823193258.db2.gz NYSGJSWKAHXRNE-CQSZACIVSA-N 1 1 398.684 4.430 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2nnc3ccccn32)c(-c2ccccc2)cc1OC ZINC000121494280 823194325 /nfs/dbraw/zinc/19/43/25/823194325.db2.gz BJCNNYLLPUBOJR-INIZCTEOSA-N 1 1 388.471 4.264 20 0 GIADMO O[C@H](C[N@@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2)c1cccs1 ZINC000176393267 823197556 /nfs/dbraw/zinc/19/75/56/823197556.db2.gz XSPFHXMFPSCRJV-HXUWFJFHSA-N 1 1 399.487 4.490 20 0 GIADMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000121510497 823197579 /nfs/dbraw/zinc/19/75/79/823197579.db2.gz LQVPOCCOJJEJBV-CQSZACIVSA-N 1 1 383.517 4.446 20 0 GIADMO CSCc1cccc(CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000188173038 823197778 /nfs/dbraw/zinc/19/77/78/823197778.db2.gz GOEDPFHWKNDSQA-QGZVFWFLSA-N 1 1 399.560 4.265 20 0 GIADMO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176396979 823198830 /nfs/dbraw/zinc/19/88/30/823198830.db2.gz QBSIKIBTTAUQDQ-KRWDZBQOSA-N 1 1 380.492 4.207 20 0 GIADMO Cc1cc(OC(C)C)ccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000056718934 823199357 /nfs/dbraw/zinc/19/93/57/823199357.db2.gz QZWIEAJMIXRXIC-UHFFFAOYSA-N 1 1 387.549 4.236 20 0 GIADMO Cc1nc2ccc(NC(=O)N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2o1 ZINC000571549298 823199395 /nfs/dbraw/zinc/19/93/95/823199395.db2.gz JMVFNCQKXKLIQY-HSZRJFAPSA-N 1 1 390.487 4.266 20 0 GIADMO C[C@@H]1CN(c2ccccc2CNc2cccc(CC[N@@H+](C)C3CC3)c2)CCO1 ZINC000459475241 823200167 /nfs/dbraw/zinc/20/01/67/823200167.db2.gz YUEOXGWTPMPUJT-LJQANCHMSA-N 1 1 379.548 4.161 20 0 GIADMO CCOc1cc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)ccc1O ZINC000459484560 823202071 /nfs/dbraw/zinc/20/20/71/823202071.db2.gz SZDGJUYHRAJJMB-UHFFFAOYSA-N 1 1 385.504 4.241 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(Oc3ccc(C)c(C)c3)nc1)C2 ZINC000571573008 823202427 /nfs/dbraw/zinc/20/24/27/823202427.db2.gz KDNREHLQLVUDQN-QGZVFWFLSA-N 1 1 376.460 4.197 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000571573002 823202477 /nfs/dbraw/zinc/20/24/77/823202477.db2.gz JWUCQVOKETULGA-PXNSSMCTSA-N 1 1 383.540 4.190 20 0 GIADMO Oc1ccc(C2=CC[N@H+](Cc3cn4ccc(Br)cc4n3)CC2)cc1 ZINC000571577227 823203265 /nfs/dbraw/zinc/20/32/65/823203265.db2.gz YSZBVADPDJUPNO-UHFFFAOYSA-N 1 1 384.277 4.092 20 0 GIADMO Oc1ccc(C2=CC[N@@H+](Cc3cn4ccc(Br)cc4n3)CC2)cc1 ZINC000571577227 823203268 /nfs/dbraw/zinc/20/32/68/823203268.db2.gz YSZBVADPDJUPNO-UHFFFAOYSA-N 1 1 384.277 4.092 20 0 GIADMO COc1ccc(-c2noc([C@@H](C)[N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)n2)cc1 ZINC000571604798 823206874 /nfs/dbraw/zinc/20/68/74/823206874.db2.gz ZXFQRIDLJXXQBG-WAIKUNEKSA-N 1 1 391.471 4.276 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459501657 823205833 /nfs/dbraw/zinc/20/58/33/823205833.db2.gz ODHNOFZFQKJOOY-KRWDZBQOSA-N 1 1 384.545 4.297 20 0 GIADMO CC[C@@H]([NH2+][C@H]1CCCc2cn(CCOC)nc21)c1cc(Cl)ccc1OC ZINC000571606430 823207221 /nfs/dbraw/zinc/20/72/21/823207221.db2.gz JUAKXGGQSSUYIQ-MSOLQXFVSA-N 1 1 377.916 4.310 20 0 GIADMO Cc1c(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)cnn1-c1cc[nH+]cc1 ZINC000188270019 823212096 /nfs/dbraw/zinc/21/20/96/823212096.db2.gz ZDERFJHCBHHBEI-NSHDSACASA-N 1 1 375.259 4.374 20 0 GIADMO COc1ccc2c(c1)C[N@H+]([C@@H]1CCCN(C(C)C)C1=O)[C@@H](c1ccccc1)C2 ZINC000571632485 823212188 /nfs/dbraw/zinc/21/21/88/823212188.db2.gz ZNFWCCAZSISOHM-DHIUTWEWSA-N 1 1 378.516 4.194 20 0 GIADMO COc1ccc2c(c1)C[N@@H+]([C@@H]1CCCN(C(C)C)C1=O)[C@@H](c1ccccc1)C2 ZINC000571632485 823212191 /nfs/dbraw/zinc/21/21/91/823212191.db2.gz ZNFWCCAZSISOHM-DHIUTWEWSA-N 1 1 378.516 4.194 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCC[C@H]1C1CCCCC1 ZINC000056760961 823208520 /nfs/dbraw/zinc/20/85/20/823208520.db2.gz MFARAPTUZWNSKS-QFIPXVFZSA-N 1 1 385.552 4.138 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000056762645 823208748 /nfs/dbraw/zinc/20/87/48/823208748.db2.gz XHQAHTVNMJYALT-INIZCTEOSA-N 1 1 387.911 4.097 20 0 GIADMO O=C(Nc1cccc(-c2nccs2)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000056778369 823212382 /nfs/dbraw/zinc/21/23/82/823212382.db2.gz KYKJVCGJNNKFIC-LJQANCHMSA-N 1 1 378.501 4.206 20 0 GIADMO CC(C)N1CC[NH+](CCCSc2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000188264561 823211151 /nfs/dbraw/zinc/21/11/51/823211151.db2.gz WDXITFJWABOXHP-UHFFFAOYSA-N 1 1 398.498 4.157 20 0 GIADMO COCc1cc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)no1 ZINC000459534314 823213864 /nfs/dbraw/zinc/21/38/64/823213864.db2.gz ZEPZEIDHDFSCOL-GOSISDBHSA-N 1 1 384.398 4.097 20 0 GIADMO C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000188282647 823214177 /nfs/dbraw/zinc/21/41/77/823214177.db2.gz ZZROGDKBGSSCRM-KBXCAEBGSA-N 1 1 377.423 4.082 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000571663470 823216118 /nfs/dbraw/zinc/21/61/18/823216118.db2.gz WTJOMVNXZXCZOZ-MAUKXSAKSA-N 1 1 393.890 4.092 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cc(F)c(Br)cc2Cl)C1 ZINC000459550917 823218341 /nfs/dbraw/zinc/21/83/41/823218341.db2.gz UYPRBNNYPFZVOZ-JTQLQIEISA-N 1 1 392.700 4.095 20 0 GIADMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H](C)C1 ZINC000459563785 823221093 /nfs/dbraw/zinc/22/10/93/823221093.db2.gz VKNZFVYXUDBMLH-PWHSHALESA-N 1 1 393.579 4.222 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccco1 ZINC000409452045 823221822 /nfs/dbraw/zinc/22/18/22/823221822.db2.gz FXUZMMZZEDPIRB-CTNGQTDRSA-N 1 1 398.890 4.472 20 0 GIADMO CC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1c(C)noc1C ZINC000409452654 823221852 /nfs/dbraw/zinc/22/18/52/823221852.db2.gz JDFDCHKTDLTPCH-IBGZPJMESA-N 1 1 389.927 4.173 20 0 GIADMO CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1c(C)noc1C ZINC000409452654 823221855 /nfs/dbraw/zinc/22/18/55/823221855.db2.gz JDFDCHKTDLTPCH-IBGZPJMESA-N 1 1 389.927 4.173 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1F ZINC000409453107 823222412 /nfs/dbraw/zinc/22/24/12/823222412.db2.gz MFGULBYSQQSDLY-UHFFFAOYSA-N 1 1 392.261 4.486 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)NC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000121650026 823222546 /nfs/dbraw/zinc/22/25/46/823222546.db2.gz NWCBEVYSBQCEJN-KRWDZBQOSA-N 1 1 383.511 4.142 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459552495 823218799 /nfs/dbraw/zinc/21/87/99/823218799.db2.gz ULBGLJDUDZFNEL-VGSWGCGISA-N 1 1 382.552 4.369 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459576611 823223807 /nfs/dbraw/zinc/22/38/07/823223807.db2.gz GOCBVOFMBMDVSP-AOMKIAJQSA-N 1 1 385.508 4.468 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459576635 823224300 /nfs/dbraw/zinc/22/43/00/823224300.db2.gz GOCBVOFMBMDVSP-ZHRRBRCNSA-N 1 1 385.508 4.468 20 0 GIADMO C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)[C@@H](CO)c1ccccc1 ZINC000459583068 823225515 /nfs/dbraw/zinc/22/55/15/823225515.db2.gz SDNDXSUWTARCJM-QFIPXVFZSA-N 1 1 376.504 4.226 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000176513402 823225995 /nfs/dbraw/zinc/22/59/95/823225995.db2.gz MPHKOZMRWOYHMS-GOSISDBHSA-N 1 1 382.504 4.291 20 0 GIADMO Cc1ccc(C(=O)C2CCN(C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000056868796 823226040 /nfs/dbraw/zinc/22/60/40/823226040.db2.gz OAJIGFNBJXOQJB-FQEVSTJZSA-N 1 1 399.579 4.254 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)cc1 ZINC000176517661 823227059 /nfs/dbraw/zinc/22/70/59/823227059.db2.gz XMKMTSNZQDNGBC-MAUKXSAKSA-N 1 1 387.549 4.048 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000459630360 823232739 /nfs/dbraw/zinc/23/27/39/823232739.db2.gz GEYYWLJUCYPFQJ-MNOVXSKESA-N 1 1 383.439 4.328 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CCCCc1ccc(Br)cc1)c1ccco1 ZINC000409475274 823229230 /nfs/dbraw/zinc/22/92/30/823229230.db2.gz ICDZSEWTFYFVRV-KRWDZBQOSA-N 1 1 393.325 4.174 20 0 GIADMO CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000056908378 823231307 /nfs/dbraw/zinc/23/13/07/823231307.db2.gz HROSGIBBXBKDCG-HXUWFJFHSA-N 1 1 396.535 4.030 20 0 GIADMO CC1(CO)C[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)C1 ZINC000459625026 823231680 /nfs/dbraw/zinc/23/16/80/823231680.db2.gz WEXSVOVJSRRZDH-UHFFFAOYSA-N 1 1 381.907 4.066 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)o2)cc1C ZINC000121697128 823232538 /nfs/dbraw/zinc/23/25/38/823232538.db2.gz JFURXCNZOFEHHT-RXVVDRJESA-N 1 1 399.535 4.465 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl)c1nc2c(s1)CCC2 ZINC000459633789 823233921 /nfs/dbraw/zinc/23/39/21/823233921.db2.gz LWRWNNREQWRMHI-NEPJUHHUSA-N 1 1 395.931 4.122 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc(COCC2CC2)c1 ZINC000571784157 823233982 /nfs/dbraw/zinc/23/39/82/823233982.db2.gz LESYWAKJKOUXIA-GOSISDBHSA-N 1 1 381.520 4.255 20 0 GIADMO COCCC1(C)C[NH+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000459636646 823234710 /nfs/dbraw/zinc/23/47/10/823234710.db2.gz WRNYDKBJZNDDEP-UHFFFAOYSA-N 1 1 385.504 4.141 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)CC12CCOCC2 ZINC000459641150 823235933 /nfs/dbraw/zinc/23/59/33/823235933.db2.gz AQEDDVKHEUXKSW-LJQANCHMSA-N 1 1 399.453 4.419 20 0 GIADMO C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000571803565 823236591 /nfs/dbraw/zinc/23/65/91/823236591.db2.gz DPQHDEVOGYYNLS-QXATTWAWSA-N 1 1 385.508 4.433 20 0 GIADMO C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000571803565 823236595 /nfs/dbraw/zinc/23/65/95/823236595.db2.gz DPQHDEVOGYYNLS-QXATTWAWSA-N 1 1 385.508 4.433 20 0 GIADMO FC(F)Oc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459645605 823236887 /nfs/dbraw/zinc/23/68/87/823236887.db2.gz QYYPBCJDHXOTSJ-HNNXBMFYSA-N 1 1 379.369 4.469 20 0 GIADMO CCN(CC)c1ncc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459645428 823236941 /nfs/dbraw/zinc/23/69/41/823236941.db2.gz GOUQUFXPAWPPSQ-HNNXBMFYSA-N 1 1 391.503 4.170 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC12CCOCC2 ZINC000459646466 823237762 /nfs/dbraw/zinc/23/77/62/823237762.db2.gz IJQVNXMFDARARM-QGZVFWFLSA-N 1 1 379.426 4.258 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC12CCOCC2 ZINC000459646466 823237767 /nfs/dbraw/zinc/23/77/67/823237767.db2.gz IJQVNXMFDARARM-QGZVFWFLSA-N 1 1 379.426 4.258 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC12CCOCC2 ZINC000459646466 823237771 /nfs/dbraw/zinc/23/77/71/823237771.db2.gz IJQVNXMFDARARM-QGZVFWFLSA-N 1 1 379.426 4.258 20 0 GIADMO COc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1SC ZINC000459647556 823238178 /nfs/dbraw/zinc/23/81/78/823238178.db2.gz ABWZKEFRTLMQFM-YJBOKZPZSA-N 1 1 385.533 4.374 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1OCc1cccnc1 ZINC000459649558 823238428 /nfs/dbraw/zinc/23/84/28/823238428.db2.gz MBNZIDNSCYXYHF-OAHLLOKOSA-N 1 1 395.528 4.465 20 0 GIADMO Cc1cccnc1NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992778 823238556 /nfs/dbraw/zinc/23/85/56/823238556.db2.gz OXPKECODMIOJCV-UHFFFAOYSA-N 1 1 392.425 4.195 20 0 GIADMO CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459651106 823239239 /nfs/dbraw/zinc/23/92/39/823239239.db2.gz YNWDSOURXTVEQF-KRWDZBQOSA-N 1 1 392.506 4.096 20 0 GIADMO Cc1cc(CNC(=O)N(Cc2ccc(F)cc2)CC2CC2)cc(N2CCCC2)[nH+]1 ZINC000571817348 823239284 /nfs/dbraw/zinc/23/92/84/823239284.db2.gz IBGGRVQJORIWNA-UHFFFAOYSA-N 1 1 396.510 4.251 20 0 GIADMO Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccc(C)c(C)n1 ZINC000459658639 823242572 /nfs/dbraw/zinc/24/25/72/823242572.db2.gz CMFJHCQHJTZQJS-UHFFFAOYSA-N 1 1 385.309 4.245 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)ccc1OC ZINC000459652397 823240090 /nfs/dbraw/zinc/24/00/90/823240090.db2.gz QNKWODDYIWNOSZ-SFHVURJKSA-N 1 1 387.442 4.275 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)cnc21 ZINC000459653832 823240314 /nfs/dbraw/zinc/24/03/14/823240314.db2.gz DMHMNAJXNZIKSZ-QGZVFWFLSA-N 1 1 396.457 4.193 20 0 GIADMO Fc1cc(F)cc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000121742765 823241020 /nfs/dbraw/zinc/24/10/20/823241020.db2.gz ZSYWUOHIMIGESL-ZDUSSCGKSA-N 1 1 396.363 4.406 20 0 GIADMO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC000121745636 823241758 /nfs/dbraw/zinc/24/17/58/823241758.db2.gz CJSZALOJAGDBIB-ZDUSSCGKSA-N 1 1 380.439 4.498 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2nc(Cl)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176583424 823242177 /nfs/dbraw/zinc/24/21/77/823242177.db2.gz GLRUPOHBZYTSNW-HIFRSBDPSA-N 1 1 378.303 4.171 20 0 GIADMO Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121754977 823243806 /nfs/dbraw/zinc/24/38/06/823243806.db2.gz PEPMKGXQTSYXPT-GFCCVEGCSA-N 1 1 396.363 4.406 20 0 GIADMO Fc1cccc(F)c1C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000121754977 823243810 /nfs/dbraw/zinc/24/38/10/823243810.db2.gz PEPMKGXQTSYXPT-GFCCVEGCSA-N 1 1 396.363 4.406 20 0 GIADMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662767 823244683 /nfs/dbraw/zinc/24/46/83/823244683.db2.gz NXUHETGZUXRTQK-LJQANCHMSA-N 1 1 393.453 4.362 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459673004 823247571 /nfs/dbraw/zinc/24/75/71/823247571.db2.gz LNMMQMMVTVLLBP-RZFNWQHOSA-N 1 1 390.527 4.105 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459673004 823247577 /nfs/dbraw/zinc/24/75/77/823247577.db2.gz LNMMQMMVTVLLBP-RZFNWQHOSA-N 1 1 390.527 4.105 20 0 GIADMO COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)oc1C ZINC000459669937 823247068 /nfs/dbraw/zinc/24/70/68/823247068.db2.gz VDPDTLQQDCNHKH-MLGOLLRUSA-N 1 1 389.414 4.117 20 0 GIADMO C[C@H](c1nn(CN(C)CC2CC2)c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000057088787 823248545 /nfs/dbraw/zinc/24/85/45/823248545.db2.gz PMPZTPWPYIRLJH-QGZVFWFLSA-N 1 1 385.581 4.249 20 0 GIADMO Clc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000121778751 823248792 /nfs/dbraw/zinc/24/87/92/823248792.db2.gz UTUBEXDSEDLUDV-MRXNPFEDSA-N 1 1 392.894 4.152 20 0 GIADMO CCC(CC)n1nccc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000121779232 823248894 /nfs/dbraw/zinc/24/88/94/823248894.db2.gz SXDGNYLALKKWFS-IRXDYDNUSA-N 1 1 384.524 4.106 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H]1O ZINC000459681760 823249543 /nfs/dbraw/zinc/24/95/43/823249543.db2.gz DMTZMOXGCKNWCR-HIFRSBDPSA-N 1 1 386.286 4.013 20 0 GIADMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1Cl ZINC000121781079 823249965 /nfs/dbraw/zinc/24/99/65/823249965.db2.gz NESGGWRAWVBOTJ-AWEZNQCLSA-N 1 1 378.925 4.052 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000409566954 823250472 /nfs/dbraw/zinc/25/04/72/823250472.db2.gz GTCANYSOWOQKRS-QGZVFWFLSA-N 1 1 382.838 4.203 20 0 GIADMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCc2sccc2C1 ZINC000409568979 823251067 /nfs/dbraw/zinc/25/10/67/823251067.db2.gz BDTOOJWTGQIDON-UHFFFAOYSA-N 1 1 376.525 4.335 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)Cc2cccc3ccccc32)cn1 ZINC000057126919 823251561 /nfs/dbraw/zinc/25/15/61/823251561.db2.gz HGRUAWDVKJYUFC-UHFFFAOYSA-N 1 1 385.471 4.071 20 0 GIADMO Brc1ccc(-c2cnc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@H]43)o2)cc1 ZINC000459703802 823253612 /nfs/dbraw/zinc/25/36/12/823253612.db2.gz HHVQUFJGZWTRSD-JKSUJKDBSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccc(-c2cnc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@H]43)o2)cc1 ZINC000459703802 823253614 /nfs/dbraw/zinc/25/36/14/823253614.db2.gz HHVQUFJGZWTRSD-JKSUJKDBSA-N 1 1 389.293 4.105 20 0 GIADMO Cc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(Cl)c1 ZINC000409590916 823256279 /nfs/dbraw/zinc/25/62/79/823256279.db2.gz JYEVJFQZUFEILJ-INIZCTEOSA-N 1 1 387.911 4.191 20 0 GIADMO Cc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(Cl)c1 ZINC000409590916 823256281 /nfs/dbraw/zinc/25/62/81/823256281.db2.gz JYEVJFQZUFEILJ-INIZCTEOSA-N 1 1 387.911 4.191 20 0 GIADMO CC(C)NC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057154735 823256337 /nfs/dbraw/zinc/25/63/37/823256337.db2.gz CQKVEFUWIGQSAS-IBGZPJMESA-N 1 1 394.519 4.067 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)CSc3ccc4ccccc4c3)sc2C1 ZINC000057157757 823257005 /nfs/dbraw/zinc/25/70/05/823257005.db2.gz MKXCBPNYRWGOKZ-UHFFFAOYSA-N 1 1 383.542 4.405 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)CSc3ccc4ccccc4c3)sc2C1 ZINC000057157757 823257007 /nfs/dbraw/zinc/25/70/07/823257007.db2.gz MKXCBPNYRWGOKZ-UHFFFAOYSA-N 1 1 383.542 4.405 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)[nH+]1 ZINC000176648824 823257034 /nfs/dbraw/zinc/25/70/34/823257034.db2.gz LIAANCRDCHWCAR-UHFFFAOYSA-N 1 1 385.939 4.397 20 0 GIADMO CCc1nnc([C@@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459746953 823259609 /nfs/dbraw/zinc/25/96/09/823259609.db2.gz GJQKOPYDIPYCJC-TYCQWZJGSA-N 1 1 394.494 4.090 20 0 GIADMO Cc1cnc([C@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC000459748827 823259967 /nfs/dbraw/zinc/25/99/67/823259967.db2.gz IGGVGXLZFYZPDB-JKFKMHIGSA-N 1 1 390.506 4.243 20 0 GIADMO Cc1cnc([C@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC000459748827 823259975 /nfs/dbraw/zinc/25/99/75/823259975.db2.gz IGGVGXLZFYZPDB-JKFKMHIGSA-N 1 1 390.506 4.243 20 0 GIADMO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)nnn1-c1ccc(F)cc1 ZINC000121852649 823263282 /nfs/dbraw/zinc/26/32/82/823263282.db2.gz LQRSYJHBLUWNDF-HZPDHXFCSA-N 1 1 390.466 4.312 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc(C)c1O ZINC000571961451 823261052 /nfs/dbraw/zinc/26/10/52/823261052.db2.gz YIEICQZKZLCWSR-IBGZPJMESA-N 1 1 396.535 4.240 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459758545 823261249 /nfs/dbraw/zinc/26/12/49/823261249.db2.gz IIWDLGGPLMYQFW-SFHVURJKSA-N 1 1 383.511 4.236 20 0 GIADMO Cc1c(Br)ccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1F ZINC000571978948 823264593 /nfs/dbraw/zinc/26/45/93/823264593.db2.gz INSALGGABIWPHT-UHFFFAOYSA-N 1 1 386.309 4.235 20 0 GIADMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl)C(=O)OC(C)(C)C ZINC000459786963 823265213 /nfs/dbraw/zinc/26/52/13/823265213.db2.gz BUZYPTOPSPXWPB-LBPRGKRZSA-N 1 1 389.323 4.232 20 0 GIADMO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459786883 823265235 /nfs/dbraw/zinc/26/52/35/823265235.db2.gz XZZCNZXFGQXEIL-SJLPKXTDSA-N 1 1 399.560 4.449 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572010574 823268982 /nfs/dbraw/zinc/26/89/82/823268982.db2.gz COIAETHFNMCIMP-LJQANCHMSA-N 1 1 376.460 4.046 20 0 GIADMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000003540612 817481257 /nfs/dbraw/zinc/48/12/57/817481257.db2.gz IGSHRQYZTCCQIP-LLVKDONJSA-N 1 1 382.247 4.361 20 0 GIADMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000003540612 817481265 /nfs/dbraw/zinc/48/12/65/817481265.db2.gz IGSHRQYZTCCQIP-LLVKDONJSA-N 1 1 382.247 4.361 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409629124 823266501 /nfs/dbraw/zinc/26/65/01/823266501.db2.gz GUTUPKCEDFBEAO-VQTJNVASSA-N 1 1 393.522 4.366 20 0 GIADMO COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000057223861 823266945 /nfs/dbraw/zinc/26/69/45/823266945.db2.gz QRWSTYYUPRNZMF-QGZVFWFLSA-N 1 1 376.460 4.033 20 0 GIADMO CSc1cc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1F ZINC000572006879 823268541 /nfs/dbraw/zinc/26/85/41/823268541.db2.gz MDDLCSBLIAJHSJ-QFIPXVFZSA-N 1 1 384.520 4.286 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315257 817519994 /nfs/dbraw/zinc/51/99/94/817519994.db2.gz BXMHCHMFMTXWCC-UHFFFAOYSA-N 1 1 398.894 4.043 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000121878892 823268677 /nfs/dbraw/zinc/26/86/77/823268677.db2.gz VMDFZKJLTSHYHC-UHFFFAOYSA-N 1 1 375.472 4.307 20 0 GIADMO C[C@@H](CCO)[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000121898614 823272521 /nfs/dbraw/zinc/27/25/21/823272521.db2.gz NOUYIJHJZIYGTO-INIZCTEOSA-N 1 1 397.544 4.450 20 0 GIADMO C[C@@H](CCO)[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000121898614 823272528 /nfs/dbraw/zinc/27/25/28/823272528.db2.gz NOUYIJHJZIYGTO-INIZCTEOSA-N 1 1 397.544 4.450 20 0 GIADMO Cc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1C ZINC000188621955 823274767 /nfs/dbraw/zinc/27/47/67/823274767.db2.gz NXVQNAJZBFHNFT-KRWDZBQOSA-N 1 1 379.504 4.241 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)cnc21 ZINC000121903673 823273752 /nfs/dbraw/zinc/27/37/52/823273752.db2.gz NOZZJCLZHQPNRT-UXHICEINSA-N 1 1 382.508 4.474 20 0 GIADMO Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CCC[N@H+]4Cc4ccccc43)cc2)n1 ZINC000460021456 823279909 /nfs/dbraw/zinc/27/99/09/823279909.db2.gz KDBKDKFDAROLGF-JOCHJYFZSA-N 1 1 386.499 4.114 20 0 GIADMO CSC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000572061783 823276328 /nfs/dbraw/zinc/27/63/28/823276328.db2.gz BCMPWWMILGSZBN-QKHUXGNCSA-N 1 1 396.000 4.305 20 0 GIADMO C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066086 823276923 /nfs/dbraw/zinc/27/69/23/823276923.db2.gz CLZZMYODQKPDFA-YWZLYKJASA-N 1 1 388.353 4.405 20 0 GIADMO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066086 823276925 /nfs/dbraw/zinc/27/69/25/823276925.db2.gz CLZZMYODQKPDFA-YWZLYKJASA-N 1 1 388.353 4.405 20 0 GIADMO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)[C@H]1OCCc2sccc21 ZINC000460027307 823280919 /nfs/dbraw/zinc/28/09/19/823280919.db2.gz QAVNCCJTXDJEHT-HZUJVAHNSA-N 1 1 382.529 4.009 20 0 GIADMO C[C@@H](NC(=O)C[N@H+]1CC[C@H](c2ccncc2)C1)c1ccc(Cl)cc1Cl ZINC000572100118 823283269 /nfs/dbraw/zinc/28/32/69/823283269.db2.gz MJNKDUWGEGPMSY-HIFRSBDPSA-N 1 1 378.303 4.055 20 0 GIADMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C12CCC2 ZINC000572109761 823284946 /nfs/dbraw/zinc/28/49/46/823284946.db2.gz NHULBKSUZAPWJY-IAGOWNOFSA-N 1 1 395.528 4.453 20 0 GIADMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C12CCC2 ZINC000572109761 823284953 /nfs/dbraw/zinc/28/49/53/823284953.db2.gz NHULBKSUZAPWJY-IAGOWNOFSA-N 1 1 395.528 4.453 20 0 GIADMO C[C@@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000409711192 823288150 /nfs/dbraw/zinc/28/81/50/823288150.db2.gz ODTYMMXULIAOOP-KDOFPFPSSA-N 1 1 383.458 4.158 20 0 GIADMO CCOC1CC(CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000188707103 823289587 /nfs/dbraw/zinc/28/95/87/823289587.db2.gz XFNMDEXISBMSFH-UHFFFAOYSA-N 1 1 399.362 4.279 20 0 GIADMO O=C(N[C@@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000460130080 823290835 /nfs/dbraw/zinc/29/08/35/823290835.db2.gz KTVBAKMWQUNCMM-QWQRMKEZSA-N 1 1 382.335 4.371 20 0 GIADMO CCN(C(=O)Nc1ccccc1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460129964 823290989 /nfs/dbraw/zinc/29/09/89/823290989.db2.gz WUARSABFKYJIHL-QGZVFWFLSA-N 1 1 389.446 4.416 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc(Br)c1OC ZINC000572159549 823292029 /nfs/dbraw/zinc/29/20/29/823292029.db2.gz RDMDNJMFUCACFL-DOTOQJQBSA-N 1 1 398.341 4.247 20 0 GIADMO CSc1ccccc1NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176786186 823292289 /nfs/dbraw/zinc/29/22/89/823292289.db2.gz IIUBSGSBDPETIG-CALCHBBNSA-N 1 1 391.581 4.152 20 0 GIADMO CCN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460136130 823293003 /nfs/dbraw/zinc/29/30/03/823293003.db2.gz XEISFJAGPUGZQH-MRXNPFEDSA-N 1 1 377.410 4.232 20 0 GIADMO CCCOc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1OCC ZINC000572167131 823293440 /nfs/dbraw/zinc/29/34/40/823293440.db2.gz QZIGAMATZBNMPK-SFHVURJKSA-N 1 1 375.431 4.153 20 0 GIADMO C[N@@H+](CCCNC(=S)Nc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000007500892 817856147 /nfs/dbraw/zinc/85/61/47/817856147.db2.gz YZDZICBKSBBFLH-UHFFFAOYSA-N 1 1 379.476 4.097 20 0 GIADMO C[N@@H+]1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)[C@H](c2ccccc2)C1 ZINC000007500935 817856202 /nfs/dbraw/zinc/85/62/02/817856202.db2.gz WUZRNKFKJBEPKD-KRWDZBQOSA-N 1 1 395.450 4.271 20 0 GIADMO C[N@H+]1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)[C@H](c2ccccc2)C1 ZINC000007500935 817856209 /nfs/dbraw/zinc/85/62/09/817856209.db2.gz WUZRNKFKJBEPKD-KRWDZBQOSA-N 1 1 395.450 4.271 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[C@@H]1C=CCCC1 ZINC000188727100 823294022 /nfs/dbraw/zinc/29/40/22/823294022.db2.gz YUMCRSNBIRYZSM-CTNGQTDRSA-N 1 1 378.520 4.323 20 0 GIADMO CCSc1cccc(Br)c1NC(=O)NCCCn1cc[nH+]c1C ZINC000572171722 823294332 /nfs/dbraw/zinc/29/43/32/823294332.db2.gz IVDNSBNNIWSBRF-UHFFFAOYSA-N 1 1 397.342 4.278 20 0 GIADMO CCN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000460140239 823294924 /nfs/dbraw/zinc/29/49/24/823294924.db2.gz ASRZZCHCGLSSBJ-LEWJYISDSA-N 1 1 387.568 4.030 20 0 GIADMO Cc1cccc2nc(C[N@@H+](Cc3ccc(F)cc3)C3CCCCC3)cc(=O)n12 ZINC000007607280 817878857 /nfs/dbraw/zinc/87/88/57/817878857.db2.gz CMFVJDNGUOJRKI-UHFFFAOYSA-N 1 1 379.479 4.477 20 0 GIADMO CCCOc1ccccc1NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000176803115 823296667 /nfs/dbraw/zinc/29/66/67/823296667.db2.gz FJEYLZRKZNOBCX-FQEVSTJZSA-N 1 1 396.535 4.389 20 0 GIADMO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000122035680 823297105 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O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCc2sccc2C1 ZINC000014259477 818230347 /nfs/dbraw/zinc/23/03/47/818230347.db2.gz JZRNYFDPTYFIJL-UHFFFAOYSA-N 1 1 397.569 4.122 20 0 GIADMO Cc1nc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)oc1-c1ccc(Cl)cc1 ZINC000176909392 823322067 /nfs/dbraw/zinc/32/20/67/823322067.db2.gz LLWHNYIWONDYMI-OAHLLOKOSA-N 1 1 376.884 4.467 20 0 GIADMO Cc1nc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)oc1-c1ccc(Cl)cc1 ZINC000176909392 823322075 /nfs/dbraw/zinc/32/20/75/823322075.db2.gz LLWHNYIWONDYMI-OAHLLOKOSA-N 1 1 376.884 4.467 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(Br)c1Cl ZINC000572344693 823324840 /nfs/dbraw/zinc/32/48/40/823324840.db2.gz LIKYLVOPUMHRMX-LBPRGKRZSA-N 1 1 388.737 4.441 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)c1ccc(F)cc1F ZINC000014935126 818278281 /nfs/dbraw/zinc/27/82/81/818278281.db2.gz HALVUWUMNQKKJI-MNOVXSKESA-N 1 1 383.236 4.405 20 0 GIADMO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1c(Cl)cccc1Cl ZINC000572353764 823326555 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CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)N2CCc3sccc3C2)cc1 ZINC000409946003 823350254 /nfs/dbraw/zinc/35/02/54/823350254.db2.gz HKLVKKNNJLBOHJ-SFHVURJKSA-N 1 1 399.604 4.157 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1c(C)noc1C ZINC000122453372 823356709 /nfs/dbraw/zinc/35/67/09/823356709.db2.gz UORUIKAFTWHFBF-HRAATJIYSA-N 1 1 398.551 4.474 20 0 GIADMO COc1c(F)cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000177039239 823356835 /nfs/dbraw/zinc/35/68/35/823356835.db2.gz UBTPSRFIVLPQQT-HOCLYGCPSA-N 1 1 389.446 4.148 20 0 GIADMO CCCNC(=O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000021579606 818707293 /nfs/dbraw/zinc/70/72/93/818707293.db2.gz OFCRPJCUNSUNGS-UHFFFAOYSA-N 1 1 396.922 4.151 20 0 GIADMO CCCNC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000021579606 818707301 /nfs/dbraw/zinc/70/73/01/818707301.db2.gz OFCRPJCUNSUNGS-UHFFFAOYSA-N 1 1 396.922 4.151 20 0 GIADMO Cc1ccc(C[C@H]([NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c2ccccn2)cc1 ZINC000122461576 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820260647 /nfs/dbraw/zinc/26/06/47/820260647.db2.gz DYFCIKXKDZUWPX-QGZVFWFLSA-N 1 1 375.472 4.010 20 0 GIADMO Clc1cccc(-c2cnc(C[NH+]3CCC(OC[C@@H]4CCCO4)CC3)o2)c1 ZINC000177474394 823471118 /nfs/dbraw/zinc/47/11/18/823471118.db2.gz ZRXIVLONTIIZEN-SFHVURJKSA-N 1 1 376.884 4.155 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(=O)c1ccccc1)c1cccs1 ZINC000027679343 820274694 /nfs/dbraw/zinc/27/46/94/820274694.db2.gz GPBQHWOHQOHCGN-LJQANCHMSA-N 1 1 378.497 4.012 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2F)c(Cl)c1 ZINC000027699178 820277334 /nfs/dbraw/zinc/27/73/34/820277334.db2.gz QGFHZAHBIIWLSO-OAHLLOKOSA-N 1 1 378.875 4.434 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2F)c(Cl)c1 ZINC000027699178 820277342 /nfs/dbraw/zinc/27/73/42/820277342.db2.gz QGFHZAHBIIWLSO-OAHLLOKOSA-N 1 1 378.875 4.434 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+]1Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000189648290 823466969 /nfs/dbraw/zinc/46/69/69/823466969.db2.gz DRQJWEGPFFMGOB-OAQYLSRUSA-N 1 1 387.549 4.181 20 0 GIADMO CC[C@]1(CO)CCC[N@H+]1Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000189648290 823466977 /nfs/dbraw/zinc/46/69/77/823466977.db2.gz DRQJWEGPFFMGOB-OAQYLSRUSA-N 1 1 387.549 4.181 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCCc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000573222413 823467498 /nfs/dbraw/zinc/46/74/98/823467498.db2.gz NWEKQHGQAXEGHB-LAUBAEHRSA-N 1 1 396.560 4.154 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000058900142 823468316 /nfs/dbraw/zinc/46/83/16/823468316.db2.gz YNUXAIOHRQOKBO-GASCZTMLSA-N 1 1 399.348 4.005 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1c(C)cc(C)nc1OC ZINC000573232870 823468403 /nfs/dbraw/zinc/46/84/03/823468403.db2.gz XPBRIGQHVUSMKR-CYBMUJFWSA-N 1 1 379.298 4.329 20 0 GIADMO CC[C@@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1nc(C(F)(F)F)cs1 ZINC000460658775 823469023 /nfs/dbraw/zinc/46/90/23/823469023.db2.gz QCLJQTCNANAAFN-NEPJUHHUSA-N 1 1 377.476 4.240 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3c3cccnc3)cc2)C1 ZINC000410354243 823471469 /nfs/dbraw/zinc/47/14/69/823471469.db2.gz OEHGINBIDVQZFH-CVDCTZTESA-N 1 1 392.547 4.360 20 0 GIADMO CC(C)n1nccc1C[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000410347141 823469406 /nfs/dbraw/zinc/46/94/06/823469406.db2.gz YXBPXWGOFXOVDZ-OAQYLSRUSA-N 1 1 381.520 4.268 20 0 GIADMO C[C@@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460660817 823469814 /nfs/dbraw/zinc/46/98/14/823469814.db2.gz UWZUGSPASNKZGS-TWMKSMIVSA-N 1 1 389.506 4.402 20 0 GIADMO CN(Cc1ccc2ccccc2c1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000028353001 820328799 /nfs/dbraw/zinc/32/87/99/820328799.db2.gz FFARUFDONARSTO-UHFFFAOYSA-N 1 1 387.527 4.430 20 0 GIADMO COCc1ccccc1C[NH2+][C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000028370592 820329984 /nfs/dbraw/zinc/32/99/84/820329984.db2.gz SFNVSZYSDLBFTF-QHCPKHFHSA-N 1 1 390.483 4.311 20 0 GIADMO C[C@@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCc2sccc2C1 ZINC000028382060 820330840 /nfs/dbraw/zinc/33/08/40/820330840.db2.gz NDJFOAASRVSCSF-GJZGRUSLSA-N 1 1 383.517 4.301 20 0 GIADMO C[C@@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCc2sccc2C1 ZINC000028382060 820330847 /nfs/dbraw/zinc/33/08/47/820330847.db2.gz NDJFOAASRVSCSF-GJZGRUSLSA-N 1 1 383.517 4.301 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000028381831 820331019 /nfs/dbraw/zinc/33/10/19/820331019.db2.gz LSBVSDGGZVEDED-ZIAGYGMSSA-N 1 1 393.503 4.176 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)[N@H+]1CCc2sccc2C1 ZINC000028381831 820331028 /nfs/dbraw/zinc/33/10/28/820331028.db2.gz LSBVSDGGZVEDED-ZIAGYGMSSA-N 1 1 393.503 4.176 20 0 GIADMO C[C@@H](CNC(=O)NCc1ccc(Cl)cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000028382271 820331049 /nfs/dbraw/zinc/33/10/49/820331049.db2.gz PFGZPALPDJQYKM-LBPRGKRZSA-N 1 1 398.359 4.301 20 0 GIADMO C[C@@H](CNC(=O)NCc1ccc(Cl)cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000028382271 820331061 /nfs/dbraw/zinc/33/10/61/820331061.db2.gz PFGZPALPDJQYKM-LBPRGKRZSA-N 1 1 398.359 4.301 20 0 GIADMO COc1cccc(C[N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000028852129 820363675 /nfs/dbraw/zinc/36/36/75/820363675.db2.gz SNHXROXEXBBRSY-QHCPKHFHSA-N 1 1 394.540 4.484 20 0 GIADMO COc1ccc(Br)cc1C[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000028852802 820364317 /nfs/dbraw/zinc/36/43/17/820364317.db2.gz DYAPYWSUKHVNNX-UHFFFAOYSA-N 1 1 395.272 4.057 20 0 GIADMO C[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccc(C(F)(F)F)cc1 ZINC000028894784 820368383 /nfs/dbraw/zinc/36/83/83/820368383.db2.gz NVFUXSBYRSGESK-UHFFFAOYSA-N 1 1 384.829 4.497 20 0 GIADMO C[N@H+](CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028894537 820368725 /nfs/dbraw/zinc/36/87/25/820368725.db2.gz PBWITKLJXYDUEY-UHFFFAOYSA-N 1 1 398.265 4.032 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028894537 820368736 /nfs/dbraw/zinc/36/87/36/820368736.db2.gz PBWITKLJXYDUEY-UHFFFAOYSA-N 1 1 398.265 4.032 20 0 GIADMO CCOc1ccc(NC(=O)[C@@H](C)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000028899298 820369018 /nfs/dbraw/zinc/36/90/18/820369018.db2.gz MNPUDAXOQOACNX-LJQANCHMSA-N 1 1 395.547 4.188 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC000058944441 823473940 /nfs/dbraw/zinc/47/39/40/823473940.db2.gz JZMRFDGFPLHPGU-SFHVURJKSA-N 1 1 377.488 4.145 20 0 GIADMO C[C@H](Cc1cccs1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410362239 823474391 /nfs/dbraw/zinc/47/43/91/823474391.db2.gz UOHGGBVKGGHXFG-ZWKOTPCHSA-N 1 1 385.577 4.410 20 0 GIADMO O=C(Cc1ccc(-n2cccc2)cc1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000028936599 820376037 /nfs/dbraw/zinc/37/60/37/820376037.db2.gz MSIKUVVQSZHYOZ-UHFFFAOYSA-N 1 1 394.544 4.491 20 0 GIADMO COc1cc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1Cl ZINC000028965026 820377974 /nfs/dbraw/zinc/37/79/74/820377974.db2.gz UQHWZHYNECKJPW-LLVKDONJSA-N 1 1 383.275 4.300 20 0 GIADMO COc1ccc(CCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1F ZINC000058952451 823474944 /nfs/dbraw/zinc/47/49/44/823474944.db2.gz CEEVSHPSJMBAME-GOSISDBHSA-N 1 1 398.522 4.315 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000058952447 823474983 /nfs/dbraw/zinc/47/49/83/823474983.db2.gz PILMAYGSTWMVPK-ZHRRBRCNSA-N 1 1 398.934 4.192 20 0 GIADMO C[N@@H+](CCCNC(=O)c1cccc(NC(=O)c2cccs2)c1)C1CCCCC1 ZINC000029177229 820405594 /nfs/dbraw/zinc/40/55/94/820405594.db2.gz PCIMFPYOOJIWCH-UHFFFAOYSA-N 1 1 399.560 4.385 20 0 GIADMO COCCn1c(C)c(C)n(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)c1=S ZINC000123209429 823479168 /nfs/dbraw/zinc/47/91/68/823479168.db2.gz LSTKCXQALZFRON-IBGZPJMESA-N 1 1 375.538 4.086 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1occc1Br ZINC000177515913 823480237 /nfs/dbraw/zinc/48/02/37/823480237.db2.gz KQAWGACBXWNYOL-MRXNPFEDSA-N 1 1 391.309 4.026 20 0 GIADMO Cc1cccc(COc2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000410387489 823483336 /nfs/dbraw/zinc/48/33/36/823483336.db2.gz GRDTVUCQBWZKFP-FGZHOGPDSA-N 1 1 393.531 4.000 20 0 GIADMO COc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000410376362 823480747 /nfs/dbraw/zinc/48/07/47/823480747.db2.gz TUCXAWKQEVJLOT-KRWDZBQOSA-N 1 1 397.519 4.257 20 0 GIADMO COc1ccc(F)c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000189719610 823481457 /nfs/dbraw/zinc/48/14/57/823481457.db2.gz SSFOFKSHTXLWHP-WMZOPIPTSA-N 1 1 377.847 4.055 20 0 GIADMO COc1ccc(F)c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000189719610 823481459 /nfs/dbraw/zinc/48/14/59/823481459.db2.gz SSFOFKSHTXLWHP-WMZOPIPTSA-N 1 1 377.847 4.055 20 0 GIADMO CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000059004168 823482128 /nfs/dbraw/zinc/48/21/28/823482128.db2.gz NKADIYVZZOTRTG-HMAPJEAMSA-N 1 1 384.568 4.001 20 0 GIADMO C[C@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410383216 823482262 /nfs/dbraw/zinc/48/22/62/823482262.db2.gz NWSBRRLXWYJPCK-RBUKOAKNSA-N 1 1 383.536 4.332 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000029615760 820485022 /nfs/dbraw/zinc/48/50/22/820485022.db2.gz AGLKYUVXHSHIKW-KBPBESRZSA-N 1 1 376.884 4.343 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000029615763 820485156 /nfs/dbraw/zinc/48/51/56/820485156.db2.gz JZLHFBCGRCGESD-KGLIPLIRSA-N 1 1 376.884 4.343 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc(Br)o1 ZINC000029635748 820488975 /nfs/dbraw/zinc/48/89/75/820488975.db2.gz XZXZWCSDDMLOOQ-UHFFFAOYSA-N 1 1 384.299 4.127 20 0 GIADMO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 ZINC000460693016 823482605 /nfs/dbraw/zinc/48/26/05/823482605.db2.gz MAZDIKFNDUMUMW-HNNXBMFYSA-N 1 1 392.877 4.456 20 0 GIADMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 ZINC000460693016 823482611 /nfs/dbraw/zinc/48/26/11/823482611.db2.gz MAZDIKFNDUMUMW-HNNXBMFYSA-N 1 1 392.877 4.456 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)C1 ZINC000177527175 823482686 /nfs/dbraw/zinc/48/26/86/823482686.db2.gz VQVWUGCVTXKUAI-SFHVURJKSA-N 1 1 382.508 4.378 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000573347603 823482658 /nfs/dbraw/zinc/48/26/58/823482658.db2.gz CCXXQJIVHRUWHC-OXQOHEQNSA-N 1 1 375.900 4.169 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000573347603 823482665 /nfs/dbraw/zinc/48/26/65/823482665.db2.gz CCXXQJIVHRUWHC-OXQOHEQNSA-N 1 1 375.900 4.169 20 0 GIADMO COc1ccc(C([NH2+]CC(=O)Nc2ccccc2)c2ccc(OC)cc2)cc1 ZINC000029645003 820491230 /nfs/dbraw/zinc/49/12/30/820491230.db2.gz PQWCKUHSLDKFLI-UHFFFAOYSA-N 1 1 376.456 4.022 20 0 GIADMO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029686684 820497634 /nfs/dbraw/zinc/49/76/34/820497634.db2.gz IYTIJIPKPZOBAI-JKSUJKDBSA-N 1 1 396.922 4.016 20 0 GIADMO CC(C)(C)c1csc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000573357424 823483971 /nfs/dbraw/zinc/48/39/71/823483971.db2.gz AYZRFMHIYPFPLP-LLVKDONJSA-N 1 1 389.348 4.277 20 0 GIADMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000029713749 820504627 /nfs/dbraw/zinc/50/46/27/820504627.db2.gz RARWSZDEZPQPNJ-UYAOXDASSA-N 1 1 386.430 4.200 20 0 GIADMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000123245600 823484713 /nfs/dbraw/zinc/48/47/13/823484713.db2.gz IOYSVWSLNYNLBW-DYVFJYSZSA-N 1 1 389.414 4.271 20 0 GIADMO C[N@H+](CCCOc1ccccc1)CC(=O)Nc1ccccc1SC(F)F ZINC000029853574 820532792 /nfs/dbraw/zinc/53/27/92/820532792.db2.gz ZOWKDWAUGYGSIM-UHFFFAOYSA-N 1 1 380.460 4.341 20 0 GIADMO C[N@@H+](CCCOc1ccccc1)CC(=O)Nc1ccccc1SC(F)F ZINC000029853574 820532797 /nfs/dbraw/zinc/53/27/97/820532797.db2.gz ZOWKDWAUGYGSIM-UHFFFAOYSA-N 1 1 380.460 4.341 20 0 GIADMO C[N@@H+](Cc1cccc(Br)c1)Cc1ccc(Br)cc1N ZINC000125791261 823711565 /nfs/dbraw/zinc/71/15/65/823711565.db2.gz QNSGVGLLBDEZOM-UHFFFAOYSA-N 1 1 384.115 4.426 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CSc1ccccc1OC ZINC000123280512 823489843 /nfs/dbraw/zinc/48/98/43/823489843.db2.gz WPQSZOZCEWLRKL-FQEVSTJZSA-N 1 1 398.572 4.158 20 0 GIADMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)Cn1cc[nH+]c1C ZINC000029937772 820550632 /nfs/dbraw/zinc/55/06/32/820550632.db2.gz XCLGCBIIRBQCKZ-UHFFFAOYSA-N 1 1 397.500 4.352 20 0 GIADMO CC(C)CC(=O)Nc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1F ZINC000460706974 823488919 /nfs/dbraw/zinc/48/89/19/823488919.db2.gz CHSWWKRFUWVMHV-KRWDZBQOSA-N 1 1 391.531 4.052 20 0 GIADMO CCc1cc2c(ncnc2NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000030001570 820566040 /nfs/dbraw/zinc/56/60/40/820566040.db2.gz ULVNCGKEODOOMO-IYBDPMFKSA-N 1 1 396.560 4.475 20 0 GIADMO O=C(c1c[nH]c2ccccc21)[C@@H]([NH2+]CCOCC(F)(F)F)c1ccccc1 ZINC000030006478 820567510 /nfs/dbraw/zinc/56/75/10/820567510.db2.gz SYHDPJSHNQMBBF-SFHVURJKSA-N 1 1 376.378 4.260 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)[C@H](c2ccccc2)C1 ZINC000030029957 820571733 /nfs/dbraw/zinc/57/17/33/820571733.db2.gz VDSXZEMLMOWBNN-FQEVSTJZSA-N 1 1 395.503 4.163 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)[C@H](c2ccccc2)C1 ZINC000030029957 820571737 /nfs/dbraw/zinc/57/17/37/820571737.db2.gz VDSXZEMLMOWBNN-FQEVSTJZSA-N 1 1 395.503 4.163 20 0 GIADMO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(Br)o1 ZINC000030217441 820588225 /nfs/dbraw/zinc/58/82/25/820588225.db2.gz BQSIYZKEYIUCKJ-QGZVFWFLSA-N 1 1 391.309 4.058 20 0 GIADMO COc1cccc(F)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000189786933 823494413 /nfs/dbraw/zinc/49/44/13/823494413.db2.gz ZBTDESOYDQCHBJ-QAPCUYQASA-N 1 1 377.847 4.055 20 0 GIADMO COc1cccc(F)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000189786933 823494417 /nfs/dbraw/zinc/49/44/17/823494417.db2.gz ZBTDESOYDQCHBJ-QAPCUYQASA-N 1 1 377.847 4.055 20 0 GIADMO CC[C@H](c1ccc(F)cc1)[N@@H+](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000123310504 823494598 /nfs/dbraw/zinc/49/45/98/823494598.db2.gz ZHABLKWELLSNRK-JOCHJYFZSA-N 1 1 399.510 4.074 20 0 GIADMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000030270010 820593364 /nfs/dbraw/zinc/59/33/64/820593364.db2.gz PSVAJEKFNRHHSB-MRXNPFEDSA-N 1 1 383.492 4.006 20 0 GIADMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000177558443 823490560 /nfs/dbraw/zinc/49/05/60/823490560.db2.gz QVLXDYIWNGIXOZ-MGPUTAFESA-N 1 1 377.513 4.287 20 0 GIADMO C[C@H](c1nn(CN2CCCCC2)c(=S)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000030542566 820636507 /nfs/dbraw/zinc/63/65/07/820636507.db2.gz YJDBDMRJKUIPSG-GOSISDBHSA-N 1 1 385.581 4.394 20 0 GIADMO COC[C@H]([NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1)c1ccc(C)o1 ZINC000177566658 823492855 /nfs/dbraw/zinc/49/28/55/823492855.db2.gz NHLVMJVGAUZYFD-IBGZPJMESA-N 1 1 382.460 4.048 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000123319251 823495529 /nfs/dbraw/zinc/49/55/29/823495529.db2.gz GRUCOGVWCZBZLM-PGRDOPGGSA-N 1 1 393.531 4.007 20 0 GIADMO CC(C)[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)N1CCN(C)CC1 ZINC000030664959 820661314 /nfs/dbraw/zinc/66/13/14/820661314.db2.gz LQNRLNBGTJWJSX-VWLOTQADSA-N 1 1 375.560 4.355 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H](C(C)C)N3CCCC3)c2)cc1 ZINC000030666520 820661352 /nfs/dbraw/zinc/66/13/52/820661352.db2.gz SNSJOEZXDSRXJZ-QHCPKHFHSA-N 1 1 395.547 4.158 20 0 GIADMO COc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)c(OC)c1OC ZINC000030901746 820705501 /nfs/dbraw/zinc/70/55/01/820705501.db2.gz ZLGBVWURWHMUOY-UHFFFAOYSA-N 1 1 380.444 4.190 20 0 GIADMO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030942476 820710504 /nfs/dbraw/zinc/71/05/04/820710504.db2.gz ZAQFPIIWCQFXAO-LJQANCHMSA-N 1 1 393.531 4.066 20 0 GIADMO Fc1ccc(-c2nc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)cs2)cc1 ZINC000177598327 823498990 /nfs/dbraw/zinc/49/89/90/823498990.db2.gz RFIZNKOWGKDZSP-FQEVSTJZSA-N 1 1 390.524 4.499 20 0 GIADMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000030958310 820711799 /nfs/dbraw/zinc/71/17/99/820711799.db2.gz VHBATUNYPHYZKP-LJQANCHMSA-N 1 1 395.547 4.106 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000031004019 820719940 /nfs/dbraw/zinc/71/99/40/820719940.db2.gz KROMTTKJFNSUPA-UHFFFAOYSA-N 1 1 393.531 4.082 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000031004019 820719943 /nfs/dbraw/zinc/71/99/43/820719943.db2.gz KROMTTKJFNSUPA-UHFFFAOYSA-N 1 1 393.531 4.082 20 0 GIADMO CC[C@H](NC(=O)c1cccc(C(F)F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177605908 823500050 /nfs/dbraw/zinc/50/00/50/823500050.db2.gz QWPGOPPRKJADRI-PMACEKPBSA-N 1 1 388.458 4.034 20 0 GIADMO CC[C@H](NC(=O)c1cccc(C(F)F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177605908 823500054 /nfs/dbraw/zinc/50/00/54/823500054.db2.gz QWPGOPPRKJADRI-PMACEKPBSA-N 1 1 388.458 4.034 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000059989845 823504333 /nfs/dbraw/zinc/50/43/33/823504333.db2.gz NSSSVWXGTMNIJP-PBHICJAKSA-N 1 1 393.314 4.324 20 0 GIADMO C[N@@H+](CCCNC(=O)N[C@H]1CCSc2c(F)cccc21)Cc1ccccc1 ZINC000031105998 820744370 /nfs/dbraw/zinc/74/43/70/820744370.db2.gz MGRZMGJAVROHLI-IBGZPJMESA-N 1 1 387.524 4.184 20 0 GIADMO CSc1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000031124391 820746970 /nfs/dbraw/zinc/74/69/70/820746970.db2.gz YFCAEYGTCONWNA-LSDHHAIUSA-N 1 1 389.590 4.277 20 0 GIADMO CSc1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000031124391 820746976 /nfs/dbraw/zinc/74/69/76/820746976.db2.gz YFCAEYGTCONWNA-LSDHHAIUSA-N 1 1 389.590 4.277 20 0 GIADMO Cc1nc(C)c(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)s1 ZINC000123390905 823504712 /nfs/dbraw/zinc/50/47/12/823504712.db2.gz KBAZFECVFHLORZ-SECBINFHSA-N 1 1 383.311 4.144 20 0 GIADMO CC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000410574848 823505191 /nfs/dbraw/zinc/50/51/91/823505191.db2.gz OCCODBARPCWIQM-CHWSQXEVSA-N 1 1 390.833 4.390 20 0 GIADMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c(OC)c1 ZINC000060038454 823505620 /nfs/dbraw/zinc/50/56/20/823505620.db2.gz GFZPOQOCDHWWFB-INIZCTEOSA-N 1 1 388.895 4.003 20 0 GIADMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c(OC)c1 ZINC000060038454 823505622 /nfs/dbraw/zinc/50/56/22/823505622.db2.gz GFZPOQOCDHWWFB-INIZCTEOSA-N 1 1 388.895 4.003 20 0 GIADMO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000059950383 823503435 /nfs/dbraw/zinc/50/34/35/823503435.db2.gz ATWFPPZSACBCPY-GOEBONIOSA-N 1 1 398.981 4.248 20 0 GIADMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)s1 ZINC000059950383 823503439 /nfs/dbraw/zinc/50/34/39/823503439.db2.gz ATWFPPZSACBCPY-GOEBONIOSA-N 1 1 398.981 4.248 20 0 GIADMO CCOc1ccc(F)c(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1F ZINC000410622047 823506803 /nfs/dbraw/zinc/50/68/03/823506803.db2.gz HQMWNHLQDCNALD-GHMZBOCLSA-N 1 1 394.384 4.211 20 0 GIADMO C[C@H]1CCCC[C@@H]1[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1 ZINC000031468646 820814758 /nfs/dbraw/zinc/81/47/58/820814758.db2.gz XXCUQFLHOGXNFC-RXVVDRJESA-N 1 1 379.504 4.145 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)C1 ZINC000060207629 823511895 /nfs/dbraw/zinc/51/18/95/823511895.db2.gz USUDNTKVSXQZPA-SFHVURJKSA-N 1 1 388.515 4.147 20 0 GIADMO C[C@H](NC(=O)N(Cc1c(F)cccc1F)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189866588 823507799 /nfs/dbraw/zinc/50/77/99/823507799.db2.gz GUPISOQVKOKHMA-JKSUJKDBSA-N 1 1 391.506 4.292 20 0 GIADMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1OCC(C)C ZINC000031566194 820827159 /nfs/dbraw/zinc/82/71/59/820827159.db2.gz FZRMIKQDKQTJJG-OAQYLSRUSA-N 1 1 396.531 4.124 20 0 GIADMO Cc1nc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c(Br)s1 ZINC000410666960 823508395 /nfs/dbraw/zinc/50/83/95/823508395.db2.gz GXRIBXDRMLQKHY-UHFFFAOYSA-N 1 1 394.338 4.103 20 0 GIADMO Cc1ccc2c(CC(=O)NC[C@@H](C)[N@@H+]3CCc4sccc4C3)coc2c1C ZINC000031963713 820880460 /nfs/dbraw/zinc/88/04/60/820880460.db2.gz ASUWSNUFHNDWJR-OAHLLOKOSA-N 1 1 382.529 4.217 20 0 GIADMO Cc1ccc2c(CC(=O)NC[C@@H](C)[N@H+]3CCc4sccc4C3)coc2c1C ZINC000031963713 820880470 /nfs/dbraw/zinc/88/04/70/820880470.db2.gz ASUWSNUFHNDWJR-OAHLLOKOSA-N 1 1 382.529 4.217 20 0 GIADMO Cc1ccc(OCCCC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000060220581 823512611 /nfs/dbraw/zinc/51/26/11/823512611.db2.gz VOIPVKYGHOOULA-UHFFFAOYSA-N 1 1 384.545 4.342 20 0 GIADMO CCc1ccc(CN(C)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000060244759 823513233 /nfs/dbraw/zinc/51/32/33/823513233.db2.gz ZVXTURHHFQVUKU-HXUWFJFHSA-N 1 1 385.577 4.364 20 0 GIADMO CN(Cc1ccccc1Cl)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244844 823513435 /nfs/dbraw/zinc/51/34/35/823513435.db2.gz WSXKMSQWKLXUOF-MRXNPFEDSA-N 1 1 391.968 4.455 20 0 GIADMO Cc1c(O)ccc2c(C[N@H+](Cc3cccc(F)c3)C[C@@H]3CCCO3)cc(=O)oc12 ZINC000060269490 823513844 /nfs/dbraw/zinc/51/38/44/823513844.db2.gz ZVVOVUPDSRJSOK-IBGZPJMESA-N 1 1 397.446 4.127 20 0 GIADMO O=C(CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000060269402 823513895 /nfs/dbraw/zinc/51/38/95/823513895.db2.gz AKVLESCORNUPPR-SFHVURJKSA-N 1 1 390.886 4.489 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccccc1SC(F)(F)F ZINC000032355315 820922881 /nfs/dbraw/zinc/92/28/81/820922881.db2.gz PKDBIWWRFQVDRU-UHFFFAOYSA-N 1 1 380.435 4.087 20 0 GIADMO C[C@H](CNC(=O)c1ccccc1SC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000032369467 820927303 /nfs/dbraw/zinc/92/73/03/820927303.db2.gz RLVYLYCRSUAGLI-CQSZACIVSA-N 1 1 394.462 4.475 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1csc(-c2cccs2)n1 ZINC000032400374 820934595 /nfs/dbraw/zinc/93/45/95/820934595.db2.gz LSVYOADUASAPGO-UHFFFAOYSA-N 1 1 383.542 4.050 20 0 GIADMO CCOc1ccc(C(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)cc1OCC ZINC000032445944 820945928 /nfs/dbraw/zinc/94/59/28/820945928.db2.gz GMTPBLITSMYZIQ-NRFANRHFSA-N 1 1 396.531 4.051 20 0 GIADMO O=C(Nc1ccc(Cl)cc1-n1cccn1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000189946151 823516790 /nfs/dbraw/zinc/51/67/90/823516790.db2.gz FHOKVNVVZRCXSO-BEFAXECRSA-N 1 1 399.926 4.006 20 0 GIADMO Cc1ccc2c(C[N@@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)cc(=O)oc2c1C ZINC000177726111 823517196 /nfs/dbraw/zinc/51/71/96/823517196.db2.gz IWBMXCLKCKZRIX-OQRWROFFSA-N 1 1 383.513 4.340 20 0 GIADMO Cc1ccc2c(C[N@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)cc(=O)oc2c1C ZINC000177726111 823517199 /nfs/dbraw/zinc/51/71/99/823517199.db2.gz IWBMXCLKCKZRIX-OQRWROFFSA-N 1 1 383.513 4.340 20 0 GIADMO CCOc1cc(C)ccc1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000123533425 823518487 /nfs/dbraw/zinc/51/84/87/823518487.db2.gz FULRASRICYGVIT-GOSISDBHSA-N 1 1 397.519 4.109 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 ZINC000060395470 823523570 /nfs/dbraw/zinc/52/35/70/823523570.db2.gz IELFMONXWOFDEG-UHFFFAOYSA-N 1 1 380.532 4.311 20 0 GIADMO CCCCOc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1OCC ZINC000060395370 823523575 /nfs/dbraw/zinc/52/35/75/823523575.db2.gz VTSGUSUUAGBUHQ-UHFFFAOYSA-N 1 1 390.568 4.457 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)nc1 ZINC000177739016 823518776 /nfs/dbraw/zinc/51/87/76/823518776.db2.gz CVSKLHPQBUTBLO-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)nc1 ZINC000177739016 823518779 /nfs/dbraw/zinc/51/87/79/823518779.db2.gz CVSKLHPQBUTBLO-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CNC(=O)C(C)C)C3)cs2)cc1 ZINC000060361052 823519725 /nfs/dbraw/zinc/51/97/25/823519725.db2.gz MFCFQDYBXPPJSP-GOSISDBHSA-N 1 1 385.577 4.357 20 0 GIADMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](CNC(=O)C(C)C)C3)cs2)cc1 ZINC000060361052 823519729 /nfs/dbraw/zinc/51/97/29/823519729.db2.gz MFCFQDYBXPPJSP-GOSISDBHSA-N 1 1 385.577 4.357 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1sc2cccc(F)c2c1C)[NH+](C)C ZINC000032694679 820992635 /nfs/dbraw/zinc/99/26/35/820992635.db2.gz LTBDZPSWUCDBRG-INIZCTEOSA-N 1 1 386.492 4.390 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1sc(-c2ccccc2)nc1C)[NH+](C)C ZINC000032694673 820992853 /nfs/dbraw/zinc/99/28/53/820992853.db2.gz GOVPSMRKLPJTGH-SFHVURJKSA-N 1 1 395.528 4.160 20 0 GIADMO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000032775901 821006656 /nfs/dbraw/zinc/00/66/56/821006656.db2.gz COANUXCMIGGJOV-AUSIDOKSSA-N 1 1 381.472 4.330 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000060373623 823521132 /nfs/dbraw/zinc/52/11/32/823521132.db2.gz OYWSCMQWECTQEA-OAHLLOKOSA-N 1 1 389.540 4.113 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NCc2csc(Nc3ccccc3)n2)[C@H](C)C1 ZINC000189994102 823523307 /nfs/dbraw/zinc/52/33/07/823523307.db2.gz AQPMDNFKTAPXLA-XLIONFOSSA-N 1 1 388.581 4.113 20 0 GIADMO CC(C)c1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c2cnn(C(C)C)c2n1 ZINC000060394956 823523317 /nfs/dbraw/zinc/52/33/17/823523317.db2.gz SWNJUNBPTZKOFA-UHFFFAOYSA-N 1 1 399.583 4.328 20 0 GIADMO COc1cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)ccc1OC(C)C ZINC000190024590 823527533 /nfs/dbraw/zinc/52/75/33/823527533.db2.gz PKNGPOCBQPRIFC-UHFFFAOYSA-N 1 1 391.458 4.244 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000177801530 823527691 /nfs/dbraw/zinc/52/76/91/823527691.db2.gz HFWNSROCLGNSBH-MOPGFXCFSA-N 1 1 380.492 4.273 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1oc2ccc(Br)cc2c1C ZINC000177801243 823527697 /nfs/dbraw/zinc/52/76/97/823527697.db2.gz PRDREYNUKSBYKT-CABCVRRESA-N 1 1 391.309 4.203 20 0 GIADMO CCCOc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1OC ZINC000190025022 823527735 /nfs/dbraw/zinc/52/77/35/823527735.db2.gz NQSKSAHVBGXODE-UHFFFAOYSA-N 1 1 391.458 4.246 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1ccc([N@@H+]2CCCC[C@@H]2C)cc1C ZINC000123632712 823527879 /nfs/dbraw/zinc/52/78/79/823527879.db2.gz NGKCNJUUUHSMTF-DOTOQJQBSA-N 1 1 383.540 4.163 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1ccc([N@H+]2CCCC[C@@H]2C)cc1C ZINC000123632712 823527882 /nfs/dbraw/zinc/52/78/82/823527882.db2.gz NGKCNJUUUHSMTF-DOTOQJQBSA-N 1 1 383.540 4.163 20 0 GIADMO Cn1ccc2cccc(NC(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)c21 ZINC000190031042 823528348 /nfs/dbraw/zinc/52/83/48/823528348.db2.gz OQGQDDJOFVRPRD-UHFFFAOYSA-N 1 1 398.457 4.243 20 0 GIADMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000034339425 821062114 /nfs/dbraw/zinc/06/21/14/821062114.db2.gz VCVHDKNMYFEMKH-QHCPKHFHSA-N 1 1 380.507 4.271 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)ccc1OCC(=O)N1CCCC1 ZINC000123648268 823529122 /nfs/dbraw/zinc/52/91/22/823529122.db2.gz SNGJYGIIHTVTCY-OAQYLSRUSA-N 1 1 394.515 4.034 20 0 GIADMO O=C(N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1(Cc2ccccc2F)CC1 ZINC000190035524 823529123 /nfs/dbraw/zinc/52/91/23/823529123.db2.gz YYKSIXZQJVCFLI-UHFFFAOYSA-N 1 1 384.470 4.022 20 0 GIADMO O=C(N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1(Cc2ccccc2F)CC1 ZINC000190035524 823529125 /nfs/dbraw/zinc/52/91/25/823529125.db2.gz YYKSIXZQJVCFLI-UHFFFAOYSA-N 1 1 384.470 4.022 20 0 GIADMO Cc1sc(-c2ccco2)nc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000036714329 821077872 /nfs/dbraw/zinc/07/78/72/821077872.db2.gz WYMJCYPBZICOFX-UHFFFAOYSA-N 1 1 381.501 4.060 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000177777342 823524801 /nfs/dbraw/zinc/52/48/01/823524801.db2.gz LUWKSCQAUCKDNO-KRWDZBQOSA-N 1 1 387.911 4.042 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000177785380 823526110 /nfs/dbraw/zinc/52/61/10/823526110.db2.gz MTYKECGTQMVKCJ-MSOLQXFVSA-N 1 1 387.911 4.013 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000460845158 823527172 /nfs/dbraw/zinc/52/71/72/823527172.db2.gz HVWVIWYEKGBLAH-XXBNENTESA-N 1 1 375.516 4.360 20 0 GIADMO CC1CCC([N@H+](C)Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000060465222 823531331 /nfs/dbraw/zinc/53/13/31/823531331.db2.gz RRCZWVXDFJCZJW-UHFFFAOYSA-N 1 1 387.837 4.345 20 0 GIADMO CC1CCC([N@@H+](C)Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000060465222 823531333 /nfs/dbraw/zinc/53/13/33/823531333.db2.gz RRCZWVXDFJCZJW-UHFFFAOYSA-N 1 1 387.837 4.345 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)c2C1 ZINC000460866870 823532259 /nfs/dbraw/zinc/53/22/59/823532259.db2.gz UXACSSGOZZDTAW-SFHVURJKSA-N 1 1 397.906 4.057 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)c2C1 ZINC000460866870 823532263 /nfs/dbraw/zinc/53/22/63/823532263.db2.gz UXACSSGOZZDTAW-SFHVURJKSA-N 1 1 397.906 4.057 20 0 GIADMO Cn1cc(-c2nc(C[N@H+](C)CCCOc3ccc(Cl)cc3)cs2)cn1 ZINC000060479245 823532813 /nfs/dbraw/zinc/53/28/13/823532813.db2.gz QQMGXRMCQCNSLV-UHFFFAOYSA-N 1 1 376.913 4.098 20 0 GIADMO Cn1cc(-c2nc(C[N@@H+](C)CCCOc3ccc(Cl)cc3)cs2)cn1 ZINC000060479245 823532814 /nfs/dbraw/zinc/53/28/14/823532814.db2.gz QQMGXRMCQCNSLV-UHFFFAOYSA-N 1 1 376.913 4.098 20 0 GIADMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc(-c2ccco2)on1 ZINC000040655547 821164241 /nfs/dbraw/zinc/16/42/41/821164241.db2.gz MZBOKZOURLGSTE-QGZVFWFLSA-N 1 1 385.851 4.155 20 0 GIADMO COc1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)c(OC)c1OC ZINC000123731649 823535672 /nfs/dbraw/zinc/53/56/72/823535672.db2.gz ZBUZSYJTVOBASI-UHFFFAOYSA-N 1 1 392.293 4.254 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cn1 ZINC000123708939 823533676 /nfs/dbraw/zinc/53/36/76/823533676.db2.gz WKMBRMMXPBEHQT-UHFFFAOYSA-N 1 1 397.438 4.080 20 0 GIADMO CC(C)[C@@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1cccnc1 ZINC000177848515 823536006 /nfs/dbraw/zinc/53/60/06/823536006.db2.gz FAGLTOBGJRYYSB-XMSQKQJNSA-N 1 1 396.535 4.036 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2NCCc2ccc(Cl)cc2)C1 ZINC000123744039 823536552 /nfs/dbraw/zinc/53/65/52/823536552.db2.gz NFRCEXIQMBFXFS-LJQANCHMSA-N 1 1 399.966 4.408 20 0 GIADMO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)c1 ZINC000177883047 823540891 /nfs/dbraw/zinc/54/08/91/823540891.db2.gz FUXRBXJNAZSLKI-LBPRGKRZSA-N 1 1 379.273 4.189 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460894894 823537274 /nfs/dbraw/zinc/53/72/74/823537274.db2.gz MLNQCXLBCBBQFD-YSHGAJCASA-N 1 1 397.485 4.269 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ncc(Cc3cccc(F)c3)s2)[C@H](C)C1 ZINC000177858560 823537359 /nfs/dbraw/zinc/53/73/59/823537359.db2.gz HXBLTKAEKGCEQM-KDOFPFPSSA-N 1 1 390.528 4.067 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000123790751 823541090 /nfs/dbraw/zinc/54/10/90/823541090.db2.gz IKRIOHZTGPUAIY-FUHWJXTLSA-N 1 1 379.529 4.421 20 0 GIADMO Cc1ccc(C(=O)NCC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)s1 ZINC000041868022 821240136 /nfs/dbraw/zinc/24/01/36/821240136.db2.gz QOMNJBNYRSBTMK-UHFFFAOYSA-N 1 1 399.560 4.190 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000041928836 821245985 /nfs/dbraw/zinc/24/59/85/821245985.db2.gz MOZBASXWAKKFGT-UHFFFAOYSA-N 1 1 398.334 4.428 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123778359 823540044 /nfs/dbraw/zinc/54/00/44/823540044.db2.gz KODQVWMEZDOOGX-QRWLVFNGSA-N 1 1 395.305 4.484 20 0 GIADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000190120372 823540053 /nfs/dbraw/zinc/54/00/53/823540053.db2.gz BHWRDFXTIHFKFM-INIZCTEOSA-N 1 1 391.581 4.030 20 0 GIADMO Cc1nc(Cl)sc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000177877966 823540253 /nfs/dbraw/zinc/54/02/53/823540253.db2.gz ANCPREZAEIHIJW-CJNGLKHVSA-N 1 1 377.941 4.230 20 0 GIADMO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000123782228 823540278 /nfs/dbraw/zinc/54/02/78/823540278.db2.gz SDPYIEMPAHWUFO-MJGOQNOKSA-N 1 1 377.488 4.021 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000042132526 821272814 /nfs/dbraw/zinc/27/28/14/821272814.db2.gz VQWSRBODLWIJKA-CVEARBPZSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000042132526 821272821 /nfs/dbraw/zinc/27/28/21/821272821.db2.gz VQWSRBODLWIJKA-CVEARBPZSA-N 1 1 381.451 4.482 20 0 GIADMO CCC[C@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000042860116 821339676 /nfs/dbraw/zinc/33/96/76/821339676.db2.gz ODMVXPVFBVIOAX-LADGPHEKSA-N 1 1 380.532 4.090 20 0 GIADMO CNC(=O)c1ccc(C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)cc1 ZINC000042225897 821287717 /nfs/dbraw/zinc/28/77/17/821287717.db2.gz PIJGTJRLVTYTKW-UHFFFAOYSA-N 1 1 396.922 4.100 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2cccs2)CC1 ZINC000042475256 821308690 /nfs/dbraw/zinc/30/86/90/821308690.db2.gz YRONVRSMFUQYCN-QGZVFWFLSA-N 1 1 385.577 4.018 20 0 GIADMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000042573912 821312438 /nfs/dbraw/zinc/31/24/38/821312438.db2.gz SAZFTTVJHXBNMY-OALUTQOASA-N 1 1 378.516 4.156 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042657448 821321171 /nfs/dbraw/zinc/32/11/71/821321171.db2.gz YRGFMGNRPWACDT-KKSFZXQISA-N 1 1 386.923 4.421 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000042739217 821328782 /nfs/dbraw/zinc/32/87/82/821328782.db2.gz IPWBWWPCXLDZGY-HXUWFJFHSA-N 1 1 392.455 4.459 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 ZINC000042739217 821328790 /nfs/dbraw/zinc/32/87/90/821328790.db2.gz IPWBWWPCXLDZGY-HXUWFJFHSA-N 1 1 392.455 4.459 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(OC)c(F)c1 ZINC000042977964 821350461 /nfs/dbraw/zinc/35/04/61/821350461.db2.gz LAXUGNGDXQYHKQ-UHFFFAOYSA-N 1 1 384.373 4.102 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(OC)c(F)c1 ZINC000042977964 821350467 /nfs/dbraw/zinc/35/04/67/821350467.db2.gz LAXUGNGDXQYHKQ-UHFFFAOYSA-N 1 1 384.373 4.102 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCc1cscn1)c1ccco1 ZINC000043107625 821362233 /nfs/dbraw/zinc/36/22/33/821362233.db2.gz WFRKWDZQOCHGNF-INIZCTEOSA-N 1 1 387.530 4.061 20 0 GIADMO CCc1cccc(C)c1NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000043156296 821369623 /nfs/dbraw/zinc/36/96/23/821369623.db2.gz VEXJLLHVKIMRAK-KDURUIRLSA-N 1 1 395.547 4.488 20 0 GIADMO Cn1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c(-c2ccncc2)n1 ZINC000180646559 821381226 /nfs/dbraw/zinc/38/12/26/821381226.db2.gz UEEJHXLDISILOH-UHFFFAOYSA-N 1 1 376.382 4.013 20 0 GIADMO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc3nccn32)c1 ZINC000180649177 821382256 /nfs/dbraw/zinc/38/22/56/821382256.db2.gz AKEZENLQJSGIMV-HSZRJFAPSA-N 1 1 387.483 4.079 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](CC2CCC2)c2ccccc2)cn1 ZINC000180652176 821383093 /nfs/dbraw/zinc/38/30/93/821383093.db2.gz JVQKPBQJLICZSL-NRFANRHFSA-N 1 1 389.503 4.306 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000180651323 821383294 /nfs/dbraw/zinc/38/32/94/821383294.db2.gz OSSRYAXLEOBERU-GFCCVEGCSA-N 1 1 394.302 4.171 20 0 GIADMO Cn1ccnc1[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1Cl ZINC000180653667 821383617 /nfs/dbraw/zinc/38/36/17/821383617.db2.gz CJYRDAPZXAZOHE-IBGZPJMESA-N 1 1 386.952 4.483 20 0 GIADMO Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H](O)c4nccn4C)C3)s2)cc1 ZINC000180654003 821384353 /nfs/dbraw/zinc/38/43/53/821384353.db2.gz GYIWSFSNDUGAEV-NQIIRXRSSA-N 1 1 381.545 4.403 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000180655997 821384833 /nfs/dbraw/zinc/38/48/33/821384833.db2.gz RQIMCTUJBIYDIE-OXJNMPFZSA-N 1 1 385.895 4.279 20 0 GIADMO C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180660658 821386054 /nfs/dbraw/zinc/38/60/54/821386054.db2.gz XYAPGEOQDHCJIZ-CVDCTZTESA-N 1 1 388.515 4.277 20 0 GIADMO C[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000180660674 821386132 /nfs/dbraw/zinc/38/61/32/821386132.db2.gz XYAPGEOQDHCJIZ-XXBNENTESA-N 1 1 388.515 4.277 20 0 GIADMO Cc1nc(Br)ccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180674402 821391035 /nfs/dbraw/zinc/39/10/35/821391035.db2.gz QNTHBBGVIRGEHG-MRXNPFEDSA-N 1 1 388.309 4.003 20 0 GIADMO Cc1ccc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000043324588 821392400 /nfs/dbraw/zinc/39/24/00/821392400.db2.gz NBAZRCCANKSGLE-CALCHBBNSA-N 1 1 385.483 4.065 20 0 GIADMO C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ncc(Br)s1 ZINC000180691482 821397297 /nfs/dbraw/zinc/39/72/97/821397297.db2.gz SPQAQSXAUBBYAH-KCJUWKMLSA-N 1 1 395.244 4.309 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCCNc1ccccn1)C1CCCCC1 ZINC000043391261 821401201 /nfs/dbraw/zinc/40/12/01/821401201.db2.gz UYYTXBBKQTXVCR-UHFFFAOYSA-N 1 1 381.524 4.080 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180716644 821414896 /nfs/dbraw/zinc/41/48/96/821414896.db2.gz PIOFPFAYVXPLST-JEBQAFNWSA-N 1 1 383.458 4.138 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749133 821432387 /nfs/dbraw/zinc/43/23/87/821432387.db2.gz OUNUUUKTEDDLEK-CTNGQTDRSA-N 1 1 396.934 4.326 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749133 821432396 /nfs/dbraw/zinc/43/23/96/821432396.db2.gz OUNUUUKTEDDLEK-CTNGQTDRSA-N 1 1 396.934 4.326 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180748924 821432453 /nfs/dbraw/zinc/43/24/53/821432453.db2.gz IFSSGCJIOPDLJN-GKCIPKSASA-N 1 1 396.934 4.182 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180748924 821432461 /nfs/dbraw/zinc/43/24/61/821432461.db2.gz IFSSGCJIOPDLJN-GKCIPKSASA-N 1 1 396.934 4.182 20 0 GIADMO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000180761267 821440150 /nfs/dbraw/zinc/44/01/50/821440150.db2.gz ZMNQQUOFFZVSKH-DLBZAZTESA-N 1 1 393.890 4.428 20 0 GIADMO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000180761267 821440155 /nfs/dbraw/zinc/44/01/55/821440155.db2.gz ZMNQQUOFFZVSKH-DLBZAZTESA-N 1 1 393.890 4.428 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180761478 821440171 /nfs/dbraw/zinc/44/01/71/821440171.db2.gz NTAXFMVOLRLIFL-ICSRJNTNSA-N 1 1 389.902 4.147 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180761478 821440175 /nfs/dbraw/zinc/44/01/75/821440175.db2.gz NTAXFMVOLRLIFL-ICSRJNTNSA-N 1 1 389.902 4.147 20 0 GIADMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000180779986 821453256 /nfs/dbraw/zinc/45/32/56/821453256.db2.gz CHLJJWMYDIGJGZ-UHFFFAOYSA-N 1 1 395.551 4.231 20 0 GIADMO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043809784 821462299 /nfs/dbraw/zinc/46/22/99/821462299.db2.gz VGGDMOPFADCDSX-UHFFFAOYSA-N 1 1 387.527 4.395 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)C2)n1 ZINC000180803642 821467516 /nfs/dbraw/zinc/46/75/16/821467516.db2.gz BSRDYDFMLGZHOV-ZDUSSCGKSA-N 1 1 395.454 4.326 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)n1 ZINC000180803642 821467521 /nfs/dbraw/zinc/46/75/21/821467521.db2.gz BSRDYDFMLGZHOV-ZDUSSCGKSA-N 1 1 395.454 4.326 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-n2cccn2)cc1 ZINC000180819785 821479301 /nfs/dbraw/zinc/47/93/01/821479301.db2.gz LMHDMVLKJQJYPV-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180855680 821497359 /nfs/dbraw/zinc/49/73/59/821497359.db2.gz GUZFJLUXQCWWEY-HIFRSBDPSA-N 1 1 375.314 4.316 20 0 GIADMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000180868442 821503783 /nfs/dbraw/zinc/50/37/83/821503783.db2.gz HHJRBTPRNACEKL-DENIHFKCSA-N 1 1 375.516 4.110 20 0 GIADMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000180868152 821503834 /nfs/dbraw/zinc/50/38/34/821503834.db2.gz LIIDZJZTJCDRLX-YJBOKZPZSA-N 1 1 390.321 4.231 20 0 GIADMO COCCOc1c(Cl)cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000180876125 821507521 /nfs/dbraw/zinc/50/75/21/821507521.db2.gz FXPDGAJLEADVQB-KRWDZBQOSA-N 1 1 397.302 4.260 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000044031474 821507832 /nfs/dbraw/zinc/50/78/32/821507832.db2.gz HYITUPMUSZCTQB-UHFFFAOYSA-N 1 1 396.535 4.315 20 0 GIADMO Cc1ccc(-c2n[nH]cc2CNc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000180876528 821508243 /nfs/dbraw/zinc/50/82/43/821508243.db2.gz NJSISSHCZDOJAR-CALCHBBNSA-N 1 1 380.492 4.199 20 0 GIADMO Cc1ccc(-c2n[nH]cc2CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000180876528 821508249 /nfs/dbraw/zinc/50/82/49/821508249.db2.gz NJSISSHCZDOJAR-CALCHBBNSA-N 1 1 380.492 4.199 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)c1OC ZINC000044089795 821521198 /nfs/dbraw/zinc/52/11/98/821521198.db2.gz SKCLMPFXZMXSKF-MRXNPFEDSA-N 1 1 396.487 4.101 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)c1OC ZINC000044089795 821521201 /nfs/dbraw/zinc/52/12/01/821521201.db2.gz SKCLMPFXZMXSKF-MRXNPFEDSA-N 1 1 396.487 4.101 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=S)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000044099068 821522993 /nfs/dbraw/zinc/52/29/93/821522993.db2.gz QUOLLWUWCRVVMC-CQSZACIVSA-N 1 1 389.487 4.384 20 0 GIADMO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1Cl ZINC000180997863 821583873 /nfs/dbraw/zinc/58/38/73/821583873.db2.gz NZEPREOWNGQUMP-AWEZNQCLSA-N 1 1 394.346 4.136 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)[C@H](C)C1 ZINC000181004031 821587450 /nfs/dbraw/zinc/58/74/50/821587450.db2.gz DZKUIGKRIIPIQP-BEFAXECRSA-N 1 1 394.510 4.149 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000181020022 821596684 /nfs/dbraw/zinc/59/66/84/821596684.db2.gz YWLMRGORINCDAR-UZLBHIALSA-N 1 1 388.581 4.427 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000181029636 821602113 /nfs/dbraw/zinc/60/21/13/821602113.db2.gz MIQYNPATLRREPE-QGZVFWFLSA-N 1 1 391.519 4.131 20 0 GIADMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cnn1C(C)(C)C ZINC000044552898 821607721 /nfs/dbraw/zinc/60/77/21/821607721.db2.gz UTSYQXWVTXIZMP-QGZVFWFLSA-N 1 1 382.552 4.251 20 0 GIADMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)oc2c1C(=O)CCC2 ZINC000044552653 821607802 /nfs/dbraw/zinc/60/78/02/821607802.db2.gz SWCAPQLQDUNSHQ-INIZCTEOSA-N 1 1 394.515 4.411 20 0 GIADMO Cc1nc2ccccc2n1CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000044552892 821607830 /nfs/dbraw/zinc/60/78/30/821607830.db2.gz PMNULXNEIQKXEK-GOSISDBHSA-N 1 1 390.531 4.036 20 0 GIADMO O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000181114227 821640721 /nfs/dbraw/zinc/64/07/21/821640721.db2.gz JYLQLJUIFITSAN-GOSISDBHSA-N 1 1 399.445 4.459 20 0 GIADMO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2nnc(C)n2C2CC2)cc1 ZINC000181135098 821655283 /nfs/dbraw/zinc/65/52/83/821655283.db2.gz ARNMJMIUEPCKRF-OAQYLSRUSA-N 1 1 380.467 4.143 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1Cl ZINC000044836512 821670984 /nfs/dbraw/zinc/67/09/84/821670984.db2.gz JLZYJEIIWIDKMY-HEHGZKQESA-N 1 1 376.850 4.428 20 0 GIADMO COc1ccc(SCC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044879435 821676401 /nfs/dbraw/zinc/67/64/01/821676401.db2.gz DHMFIDWQCCOWNK-GOSISDBHSA-N 1 1 398.572 4.336 20 0 GIADMO Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000181184432 821683602 /nfs/dbraw/zinc/68/36/02/821683602.db2.gz SFWLSUFAXNHTRA-OAHLLOKOSA-N 1 1 375.314 4.064 20 0 GIADMO Cc1cc2ncc([C@@H](C)NCc3ccccc3C[NH+]3CCC(C)CC3)c(C)n2n1 ZINC000181202514 821694018 /nfs/dbraw/zinc/69/40/18/821694018.db2.gz NLMZRLJCYQNEDS-LJQANCHMSA-N 1 1 391.563 4.429 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)ccc1C ZINC000181203148 821694905 /nfs/dbraw/zinc/69/49/05/821694905.db2.gz IDGDRJVHANUCCB-PXNSSMCTSA-N 1 1 393.487 4.311 20 0 GIADMO COCCO[C@H]1CCC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181203347 821694920 /nfs/dbraw/zinc/69/49/20/821694920.db2.gz MZUCMIIGIIKLIS-SFHVURJKSA-N 1 1 396.487 4.131 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccc(N2CCCC2=O)cc1 ZINC000181228231 821707496 /nfs/dbraw/zinc/70/74/96/821707496.db2.gz ATWAGIKYECVILT-CQSZACIVSA-N 1 1 398.304 4.298 20 0 GIADMO c1cn(Cc2ccccc2)c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181293369 821740025 /nfs/dbraw/zinc/74/00/25/821740025.db2.gz WMTKXVXFAZVSFX-OAQYLSRUSA-N 1 1 398.514 4.096 20 0 GIADMO c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181293369 821740028 /nfs/dbraw/zinc/74/00/28/821740028.db2.gz WMTKXVXFAZVSFX-OAQYLSRUSA-N 1 1 398.514 4.096 20 0 GIADMO Brc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)nc1 ZINC000181307164 821747078 /nfs/dbraw/zinc/74/70/78/821747078.db2.gz ZTBQFRSJKCWEFT-HNNXBMFYSA-N 1 1 398.308 4.009 20 0 GIADMO Brc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)nc1 ZINC000181307164 821747083 /nfs/dbraw/zinc/74/70/83/821747083.db2.gz ZTBQFRSJKCWEFT-HNNXBMFYSA-N 1 1 398.308 4.009 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(N2CCCC2=O)cc1 ZINC000181310089 821749011 /nfs/dbraw/zinc/74/90/11/821749011.db2.gz RSKYGZNETYVABK-HNNXBMFYSA-N 1 1 378.501 4.183 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000181314781 821753507 /nfs/dbraw/zinc/75/35/07/821753507.db2.gz DTUAWXWJAZPDST-CQSZACIVSA-N 1 1 393.516 4.340 20 0 GIADMO COC[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(F)c(F)c1 ZINC000181418225 821815780 /nfs/dbraw/zinc/81/57/80/821815780.db2.gz DIZJNCCLAMNWIA-HXUWFJFHSA-N 1 1 385.410 4.037 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCCc2ccc(Br)cc21)c1nnnn1-c1ccccc1 ZINC000181420271 821816707 /nfs/dbraw/zinc/81/67/07/821816707.db2.gz YYEBLOHVGJPMAC-FZKQIMNGSA-N 1 1 398.308 4.153 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000181421523 821818015 /nfs/dbraw/zinc/81/80/15/821818015.db2.gz LPKPEOAVXYPOOK-SFTDATJTSA-N 1 1 380.536 4.359 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(-c2ccccc2)cc1 ZINC000181425638 821820381 /nfs/dbraw/zinc/82/03/81/821820381.db2.gz AEZDPDGJJYYDEE-MRXNPFEDSA-N 1 1 379.529 4.292 20 0 GIADMO COc1ccc(-c2ncc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)s2)cc1 ZINC000181433621 821825148 /nfs/dbraw/zinc/82/51/48/821825148.db2.gz UHNNQAAWJIOJER-RDJZCZTQSA-N 1 1 399.560 4.202 20 0 GIADMO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181446663 821830144 /nfs/dbraw/zinc/83/01/44/821830144.db2.gz PGQQICNBEAOSRW-GOEBONIOSA-N 1 1 387.549 4.023 20 0 GIADMO C[C@H](NC(=O)c1cc(Br)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181450252 821831416 /nfs/dbraw/zinc/83/14/16/821831416.db2.gz DJVZKXFZCGFRGH-QWHCGFSZSA-N 1 1 399.760 4.485 20 0 GIADMO COc1cc(OC)c([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)cc1Cl ZINC000181460025 821836496 /nfs/dbraw/zinc/83/64/96/821836496.db2.gz UZOXBPPAJUPEFU-CYBMUJFWSA-N 1 1 377.868 4.369 20 0 GIADMO CCOc1c(Cl)cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181465331 821838783 /nfs/dbraw/zinc/83/87/83/821838783.db2.gz YSILJYOVRCGPFT-CABCVRRESA-N 1 1 394.943 4.130 20 0 GIADMO CCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OCC ZINC000181483230 821846188 /nfs/dbraw/zinc/84/61/88/821846188.db2.gz PLFYYHAOIFNFLF-PKOBYXMFSA-N 1 1 388.552 4.257 20 0 GIADMO C[C@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181492913 821851613 /nfs/dbraw/zinc/85/16/13/821851613.db2.gz XMXORFXYLSCTFR-UONOGXRCSA-N 1 1 391.462 4.152 20 0 GIADMO C[C@@H]1CC[C@@H](CCC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000181496952 821854019 /nfs/dbraw/zinc/85/40/19/821854019.db2.gz XQBRGIWDNQOGHV-KUHUBIRLSA-N 1 1 399.362 4.422 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181503584 821856463 /nfs/dbraw/zinc/85/64/63/821856463.db2.gz TWTMLNCGDLUFJF-IEBWSBKVSA-N 1 1 379.548 4.163 20 0 GIADMO C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181509203 821859763 /nfs/dbraw/zinc/85/97/63/821859763.db2.gz WQXIDFRKEHBKPG-UONOGXRCSA-N 1 1 385.335 4.141 20 0 GIADMO Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC000181517798 821863796 /nfs/dbraw/zinc/86/37/96/821863796.db2.gz BIEWLFDADBNECH-HOCLYGCPSA-N 1 1 384.524 4.037 20 0 GIADMO C[C@@H](NC(=O)CCc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181519622 821864141 /nfs/dbraw/zinc/86/41/41/821864141.db2.gz CWFXLXYJQROXBT-WBVHZDCISA-N 1 1 393.369 4.151 20 0 GIADMO C[C@@H](NC(=O)c1cccc(Br)c1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181540372 821873672 /nfs/dbraw/zinc/87/36/72/821873672.db2.gz WDGPUEOXOOOACC-OLZOCXBDSA-N 1 1 399.760 4.485 20 0 GIADMO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c2c(n1)onc2C(C)C ZINC000181545302 821875272 /nfs/dbraw/zinc/87/52/72/821875272.db2.gz YMFIVXCPUQUSRY-JKSUJKDBSA-N 1 1 384.524 4.037 20 0 GIADMO Cc1ccccc1[C@@H](C)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000181559512 821881232 /nfs/dbraw/zinc/88/12/32/821881232.db2.gz MAPIWHHOHSDKKR-OAHLLOKOSA-N 1 1 386.542 4.373 20 0 GIADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000181579933 821887614 /nfs/dbraw/zinc/88/76/14/821887614.db2.gz DPGCVCXRQHTQAH-FQEVSTJZSA-N 1 1 398.576 4.115 20 0 GIADMO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)c2ncc(Br)s2)CC1 ZINC000181591387 821893406 /nfs/dbraw/zinc/89/34/06/821893406.db2.gz YYMUWLVVSZLACR-QWHCGFSZSA-N 1 1 395.370 4.177 20 0 GIADMO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ncc(Br)s1 ZINC000181591370 821893503 /nfs/dbraw/zinc/89/35/03/821893503.db2.gz YYMUWLVVSZLACR-STQMWFEESA-N 1 1 395.370 4.177 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccccn1 ZINC000181594906 821895257 /nfs/dbraw/zinc/89/52/57/821895257.db2.gz LQWKMKFWUFVZPL-WMLDXEAASA-N 1 1 396.541 4.233 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)cs1 ZINC000181597756 821896427 /nfs/dbraw/zinc/89/64/27/821896427.db2.gz ZSHRKXMONLZBHB-IBGZPJMESA-N 1 1 399.947 4.159 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccc(Br)c2)C2CC2)n1 ZINC000181618678 821906398 /nfs/dbraw/zinc/90/63/98/821906398.db2.gz WRGPPGDKWGODBJ-ABAIWWIYSA-N 1 1 394.338 4.282 20 0 GIADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000181620216 821906883 /nfs/dbraw/zinc/90/68/83/821906883.db2.gz LKAGAKHCKDWFNW-FQEVSTJZSA-N 1 1 386.540 4.009 20 0 GIADMO Cc1csc([C@H]([NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC2)n1 ZINC000181624869 821909022 /nfs/dbraw/zinc/90/90/22/821909022.db2.gz FPPNVSJUYXOGSS-GOSISDBHSA-N 1 1 392.590 4.264 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000181625542 821909379 /nfs/dbraw/zinc/90/93/79/821909379.db2.gz GCLCATUPJHZSEH-HXUWFJFHSA-N 1 1 389.446 4.239 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C2CC2)n1 ZINC000181627686 821911363 /nfs/dbraw/zinc/91/13/63/821911363.db2.gz MHBZOJJXFHCIIJ-VFNWGFHPSA-N 1 1 383.561 4.248 20 0 GIADMO C[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181629757 821912311 /nfs/dbraw/zinc/91/23/11/821912311.db2.gz PKKVMDQEFNGVIV-PKOBYXMFSA-N 1 1 379.504 4.257 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1F ZINC000181637565 821916507 /nfs/dbraw/zinc/91/65/07/821916507.db2.gz HKVLYJKDSUKGLV-LJQANCHMSA-N 1 1 377.822 4.113 20 0 GIADMO COc1cccc(C2(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CCCC2)c1 ZINC000181644728 821919859 /nfs/dbraw/zinc/91/98/59/821919859.db2.gz YWWJZIVOAGFDST-RBUKOAKNSA-N 1 1 384.564 4.276 20 0 GIADMO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000181655598 821926246 /nfs/dbraw/zinc/92/62/46/821926246.db2.gz AQQDYHQKDGHBKI-UHFFFAOYSA-N 1 1 392.381 4.098 20 0 GIADMO COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1-c1ccccn1 ZINC000181657231 821926836 /nfs/dbraw/zinc/92/68/36/821926836.db2.gz AFBNVHGMWJZONT-PKOBYXMFSA-N 1 1 393.531 4.140 20 0 GIADMO C[C@H](NC(=O)c1occc1COc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669232 821934938 /nfs/dbraw/zinc/93/49/38/821934938.db2.gz NXAOSGQNOUCXSZ-ROUUACIJSA-N 1 1 382.504 4.241 20 0 GIADMO C[C@H](NC(=O)c1cccnc1SC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670113 821935759 /nfs/dbraw/zinc/93/57/59/821935759.db2.gz AKHUSRSQJZROKV-STQMWFEESA-N 1 1 387.471 4.076 20 0 GIADMO C[C@H](NC(=O)/C=C/c1cnc(C(C)(C)C)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181678234 821939732 /nfs/dbraw/zinc/93/97/32/821939732.db2.gz ZATHMFSZAIDLKJ-ISEXYEMMSA-N 1 1 375.582 4.223 20 0 GIADMO CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181717451 821958513 /nfs/dbraw/zinc/95/85/13/821958513.db2.gz ZLDOTYKZZIZCKL-NRFANRHFSA-N 1 1 392.559 4.102 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181723415 821961917 /nfs/dbraw/zinc/96/19/17/821961917.db2.gz KETCDIOOGCJTAL-DIFFPNOSSA-N 1 1 387.332 4.443 20 0 GIADMO CC(C)C[C@@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000181801400 821998180 /nfs/dbraw/zinc/99/81/80/821998180.db2.gz HXQDPWTYOUXSFS-GOSISDBHSA-N 1 1 387.434 4.141 20 0 GIADMO CC(C)C[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000181801385 821998255 /nfs/dbraw/zinc/99/82/55/821998255.db2.gz HXQDPWTYOUXSFS-SFHVURJKSA-N 1 1 387.434 4.141 20 0 GIADMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000181818265 822004841 /nfs/dbraw/zinc/00/48/41/822004841.db2.gz AOOUUWPFLCRZER-NRFANRHFSA-N 1 1 382.504 4.421 20 0 GIADMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000181836816 822012958 /nfs/dbraw/zinc/01/29/58/822012958.db2.gz DVSRMMXFQKJRLZ-GOSISDBHSA-N 1 1 392.858 4.090 20 0 GIADMO O=C(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000181951946 822043692 /nfs/dbraw/zinc/04/36/92/822043692.db2.gz OPXDZGYWKRVGNE-PXAZEXFGSA-N 1 1 386.845 4.448 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)cs1 ZINC000181968077 822048590 /nfs/dbraw/zinc/04/85/90/822048590.db2.gz JGVHOCGAKLGXLO-KRWDZBQOSA-N 1 1 399.482 4.327 20 0 GIADMO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)c(Br)c1 ZINC000181987934 822054710 /nfs/dbraw/zinc/05/47/10/822054710.db2.gz CEBKPFZEPOIEEU-NSHDSACASA-N 1 1 383.236 4.325 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(OCC2CCOCC2)cc1 ZINC000182017415 822064304 /nfs/dbraw/zinc/06/43/04/822064304.db2.gz AKHBIIDEDBKGDD-CYFREDJKSA-N 1 1 395.547 4.210 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182021960 822065368 /nfs/dbraw/zinc/06/53/68/822065368.db2.gz MIIFQCTVSVKISZ-ZDUSSCGKSA-N 1 1 381.386 4.051 20 0 GIADMO COC(=O)c1sccc1C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000182074594 822082867 /nfs/dbraw/zinc/08/28/67/822082867.db2.gz PWQJKIGZWHAZGI-SNVBAGLBSA-N 1 1 384.295 4.157 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(OC4CCCC4)CC3)co2)cc1 ZINC000182104120 822095339 /nfs/dbraw/zinc/09/53/39/822095339.db2.gz USLFDZOBTROYMB-UHFFFAOYSA-N 1 1 384.476 4.052 20 0 GIADMO CCCC[N@@H+](CCCO)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000182143283 822114765 /nfs/dbraw/zinc/11/47/65/822114765.db2.gz MEFHTHSWWLUSFL-GFCCVEGCSA-N 1 1 380.838 4.170 20 0 GIADMO COc1ccc(NC(=O)CC[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000182208456 822147715 /nfs/dbraw/zinc/14/77/15/822147715.db2.gz HUWLQRFMKPFRIF-QFIPXVFZSA-N 1 1 395.890 4.451 20 0 GIADMO COc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000182210531 822149150 /nfs/dbraw/zinc/14/91/50/822149150.db2.gz IZOAFBBMPPNREV-HOTGVXAUSA-N 1 1 380.282 4.139 20 0 GIADMO COc1cc(Br)ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000182210531 822149156 /nfs/dbraw/zinc/14/91/56/822149156.db2.gz IZOAFBBMPPNREV-HOTGVXAUSA-N 1 1 380.282 4.139 20 0 GIADMO COc1ccc(Cl)cc1[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182237014 822160513 /nfs/dbraw/zinc/16/05/13/822160513.db2.gz GGWKYZJSUHTFRM-OXQOHEQNSA-N 1 1 388.939 4.156 20 0 GIADMO COc1ccc(Cl)cc1[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182237014 822160519 /nfs/dbraw/zinc/16/05/19/822160519.db2.gz GGWKYZJSUHTFRM-OXQOHEQNSA-N 1 1 388.939 4.156 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c(Br)c1OC ZINC000182278458 822183562 /nfs/dbraw/zinc/18/35/62/822183562.db2.gz VJJKASCHXBZNIH-NSHDSACASA-N 1 1 394.265 4.046 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c(Br)c1OC ZINC000182278477 822183708 /nfs/dbraw/zinc/18/37/08/822183708.db2.gz VJJKASCHXBZNIH-LLVKDONJSA-N 1 1 394.265 4.046 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2Br)cc1 ZINC000182335962 822206449 /nfs/dbraw/zinc/20/64/49/822206449.db2.gz KRDBOXZCWAWUHT-CYBMUJFWSA-N 1 1 382.323 4.094 20 0 GIADMO C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182380144 822222179 /nfs/dbraw/zinc/22/21/79/822222179.db2.gz ZFFCVEYOPAWQDT-GDBMZVCRSA-N 1 1 399.457 4.037 20 0 GIADMO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000182449976 822246847 /nfs/dbraw/zinc/24/68/47/822246847.db2.gz VMWJJIMACWUOGH-NUJGCVRESA-N 1 1 395.952 4.038 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000177964504 822260334 /nfs/dbraw/zinc/26/03/34/822260334.db2.gz NGZWGUQMMHXIRS-QGZVFWFLSA-N 1 1 398.576 4.322 20 0 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CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182892502 822387411 /nfs/dbraw/zinc/38/74/11/822387411.db2.gz QUHZWFTUDOFSBL-HOTGVXAUSA-N 1 1 388.512 4.030 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182892462 822387518 /nfs/dbraw/zinc/38/75/18/822387518.db2.gz QUHZWFTUDOFSBL-JKSUJKDBSA-N 1 1 388.512 4.030 20 0 GIADMO Cc1cc(Br)c(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)s1 ZINC000453584066 822388672 /nfs/dbraw/zinc/38/86/72/822388672.db2.gz GYDLGPNSQHUHCD-UHFFFAOYSA-N 1 1 397.338 4.062 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178536576 822389210 /nfs/dbraw/zinc/38/92/10/822389210.db2.gz NIUHGDQJUHLUFL-WBVHZDCISA-N 1 1 389.952 4.328 20 0 GIADMO Cc1cc(Br)c(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)s1 ZINC000453587353 822389232 /nfs/dbraw/zinc/38/92/32/822389232.db2.gz KOYVJUIBOJRWPP-UHFFFAOYSA-N 1 1 399.329 4.085 20 0 GIADMO Cc1ccc(OC2CCN(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)cc1 ZINC000182905884 822390236 /nfs/dbraw/zinc/39/02/36/822390236.db2.gz UIRZHKOKFBLBCI-UXHICEINSA-N 1 1 399.579 4.201 20 0 GIADMO CCn1ccnc1[C@H]([NH2+]Cc1sc(C)cc1Br)C1CCOCC1 ZINC000453594934 822390348 /nfs/dbraw/zinc/39/03/48/822390348.db2.gz LWANWLFLXYZJAK-MRXNPFEDSA-N 1 1 398.370 4.293 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1OCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182918871 822392467 /nfs/dbraw/zinc/39/24/67/822392467.db2.gz IGGUFHIPZOWPQM-HUUCEWRRSA-N 1 1 399.457 4.402 20 0 GIADMO COCC[N@@H+](C/C(C)=C\c1ccccc1OC(F)F)Cc1c(C)nn(C)c1C ZINC000453614514 822393424 /nfs/dbraw/zinc/39/34/24/822393424.db2.gz ODLGGMKVUWVFIZ-QINSGFPZSA-N 1 1 393.478 4.190 20 0 GIADMO COc1ccc(OC(F)F)c(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182933566 822395321 /nfs/dbraw/zinc/39/53/21/822395321.db2.gz WHNSNYFYWIWGHO-UONOGXRCSA-N 1 1 397.466 4.071 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182947968 822398098 /nfs/dbraw/zinc/39/80/98/822398098.db2.gz YTAFBRYEKFWJDN-IRXDYDNUSA-N 1 1 386.540 4.056 20 0 GIADMO C[C@H](NC(=O)NC1(c2cccc(Cl)c2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182950062 822398550 /nfs/dbraw/zinc/39/85/50/822398550.db2.gz DIOQALTVRANOMY-HOTGVXAUSA-N 1 1 375.944 4.281 20 0 GIADMO C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1nccs1 ZINC000182959600 822400081 /nfs/dbraw/zinc/40/00/81/822400081.db2.gz UJNWSFICSQMLLK-SJORKVTESA-N 1 1 386.565 4.120 20 0 GIADMO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000178660241 822400533 /nfs/dbraw/zinc/40/05/33/822400533.db2.gz APQWPZMTXVQEDQ-CYBMUJFWSA-N 1 1 391.518 4.016 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc2ccccc2n1 ZINC000178663047 822400748 /nfs/dbraw/zinc/40/07/48/822400748.db2.gz YCKUSXIVMOYYRQ-INIZCTEOSA-N 1 1 397.544 4.162 20 0 GIADMO Cc1cc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)ccc1F ZINC000178687016 822403007 /nfs/dbraw/zinc/40/30/07/822403007.db2.gz IWTTVXMSVNBQDK-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2)ccc1F ZINC000178687016 822403009 /nfs/dbraw/zinc/40/30/09/822403009.db2.gz IWTTVXMSVNBQDK-KRWDZBQOSA-N 1 1 394.450 4.035 20 0 GIADMO C[C@H](CNC(=S)Nc1ccc(OC(F)F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000045712259 822407098 /nfs/dbraw/zinc/40/70/98/822407098.db2.gz HZVHPIXDRXGVFT-CQSZACIVSA-N 1 1 391.487 4.021 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182993969 822407394 /nfs/dbraw/zinc/40/73/94/822407394.db2.gz XTEYZYKRWTWTSE-YWZLYKJASA-N 1 1 396.547 4.469 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000182993969 822407397 /nfs/dbraw/zinc/40/73/97/822407397.db2.gz XTEYZYKRWTWTSE-YWZLYKJASA-N 1 1 396.547 4.469 20 0 GIADMO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@@H+](C)C[C@@H]2CCOC2)cc1 ZINC000178764639 822408110 /nfs/dbraw/zinc/40/81/10/822408110.db2.gz UJTJYCKDSZZEPQ-INIZCTEOSA-N 1 1 388.895 4.348 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1CN1CCCCC1 ZINC000183006529 822410039 /nfs/dbraw/zinc/41/00/39/822410039.db2.gz OHJNGXMSNFPMNH-VGSWGCGISA-N 1 1 388.577 4.301 20 0 GIADMO CSc1ccc([C@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1F ZINC000183006058 822410092 /nfs/dbraw/zinc/41/00/92/822410092.db2.gz VCZKSYSPQBQDJD-IFXJQAMLSA-N 1 1 387.524 4.170 20 0 GIADMO Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c(C)c1O ZINC000178793481 822410274 /nfs/dbraw/zinc/41/02/74/822410274.db2.gz PHGDKQGXEFDWJX-FQEVSTJZSA-N 1 1 392.421 4.402 20 0 GIADMO CCC[N@H+](Cc1cn(Cc2cccnc2)nn1)[C@H](C)c1cc2ccccc2o1 ZINC000183016019 822411761 /nfs/dbraw/zinc/41/17/61/822411761.db2.gz UDDWFFOLCRSWAH-QGZVFWFLSA-N 1 1 375.476 4.441 20 0 GIADMO CCC[N@@H+](Cc1cn(Cc2cccnc2)nn1)[C@H](C)c1cc2ccccc2o1 ZINC000183016019 822411765 /nfs/dbraw/zinc/41/17/65/822411765.db2.gz UDDWFFOLCRSWAH-QGZVFWFLSA-N 1 1 375.476 4.441 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCc3ccc(O)cc3C2)cc1 ZINC000045780154 822412860 /nfs/dbraw/zinc/41/28/60/822412860.db2.gz LVCDIAVHLOSAII-GOSISDBHSA-N 1 1 393.531 4.035 20 0 GIADMO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000045780648 822413094 /nfs/dbraw/zinc/41/30/94/822413094.db2.gz SWOLIZAMOHUIAH-JTSKRJEESA-N 1 1 396.535 4.404 20 0 GIADMO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000045789288 822413974 /nfs/dbraw/zinc/41/39/74/822413974.db2.gz AWEPZPPMAMWCRE-JTSKRJEESA-N 1 1 396.535 4.262 20 0 GIADMO COc1ccc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000045789460 822414017 /nfs/dbraw/zinc/41/40/17/822414017.db2.gz FXFXPHKIXWMUEH-LJQANCHMSA-N 1 1 395.547 4.269 20 0 GIADMO COc1ccc(CN(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1F ZINC000045789747 822414030 /nfs/dbraw/zinc/41/40/30/822414030.db2.gz RLLXVBXAMCDOMY-UHFFFAOYSA-N 1 1 387.499 4.016 20 0 GIADMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000178854177 822416693 /nfs/dbraw/zinc/41/66/93/822416693.db2.gz HCTVRWZWUAAVIB-IBGZPJMESA-N 1 1 382.504 4.216 20 0 GIADMO CNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000045822507 822416794 /nfs/dbraw/zinc/41/67/94/822416794.db2.gz ZZICZLUZMWMCLR-UHFFFAOYSA-N 1 1 399.288 4.359 20 0 GIADMO Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000178870921 822417925 /nfs/dbraw/zinc/41/79/25/822417925.db2.gz RFWQEDSREVQIJC-SFHVURJKSA-N 1 1 398.507 4.333 20 0 GIADMO CCC[C@H](Cc1ccccc1)[N@H+](CCC)Cn1nc(C(F)(F)F)ccc1=O ZINC000178886238 822419216 /nfs/dbraw/zinc/41/92/16/822419216.db2.gz ULGCKQOTQNWLDJ-QGZVFWFLSA-N 1 1 381.442 4.343 20 0 GIADMO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)Cn1nc(C(F)(F)F)ccc1=O ZINC000178886238 822419218 /nfs/dbraw/zinc/41/92/18/822419218.db2.gz ULGCKQOTQNWLDJ-QGZVFWFLSA-N 1 1 381.442 4.343 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCC(C)(C)C3)CC2)cs1 ZINC000178905619 822420688 /nfs/dbraw/zinc/42/06/88/822420688.db2.gz QZXAFQFINWQEAH-QGZVFWFLSA-N 1 1 377.598 4.250 20 0 GIADMO C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000178915381 822421496 /nfs/dbraw/zinc/42/14/96/822421496.db2.gz PGHYVFFVSHEDRK-LJQANCHMSA-N 1 1 397.588 4.337 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000178916720 822421536 /nfs/dbraw/zinc/42/15/36/822421536.db2.gz RGCBTCKJIKZPOC-OCCSQVGLSA-N 1 1 385.291 4.183 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CCC[C@H](OCCO)C1 ZINC000178916720 822421538 /nfs/dbraw/zinc/42/15/38/822421538.db2.gz RGCBTCKJIKZPOC-OCCSQVGLSA-N 1 1 385.291 4.183 20 0 GIADMO O=C(CC1CCC(C(F)(F)F)CC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000183077924 822421577 /nfs/dbraw/zinc/42/15/77/822421577.db2.gz PMSZWIPDUMQVCP-GPJFCIFZSA-N 1 1 396.497 4.426 20 0 GIADMO O=C(CC1CCC(C(F)(F)F)CC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000183077903 822421618 /nfs/dbraw/zinc/42/16/18/822421618.db2.gz PMSZWIPDUMQVCP-IOJLRTSASA-N 1 1 396.497 4.426 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2coc(-c3ccc(OCC)cc3)n2)CC1 ZINC000178918921 822421738 /nfs/dbraw/zinc/42/17/38/822421738.db2.gz LGAPOZYKSWMYTO-UHFFFAOYSA-N 1 1 399.535 4.211 20 0 GIADMO C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000183114546 822426203 /nfs/dbraw/zinc/42/62/03/822426203.db2.gz XZXNXUSICSRPPR-CHEFSKHESA-N 1 1 399.343 4.030 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000178994897 822427510 /nfs/dbraw/zinc/42/75/10/822427510.db2.gz PBJHWXHUMXBXIG-IBGZPJMESA-N 1 1 391.490 4.358 20 0 GIADMO C[S@@](=O)C[C@H]([NH2+]Cc1cc(Br)ccc1Cl)c1ccccc1 ZINC000183127366 822427779 /nfs/dbraw/zinc/42/77/79/822427779.db2.gz UCCJDNVIPXQMLS-HRAATJIYSA-N 1 1 386.742 4.312 20 0 GIADMO Cc1cc2oc(=O)cc(C[NH2+][C@H](C[S@](C)=O)c3ccccc3)c2cc1C(C)C ZINC000183128211 822428004 /nfs/dbraw/zinc/42/80/04/822428004.db2.gz LLOONGGMKDTGLM-PIKZIKFNSA-N 1 1 397.540 4.434 20 0 GIADMO CC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183129021 822428264 /nfs/dbraw/zinc/42/82/64/822428264.db2.gz RXMHNGBTBABSCG-YFNKSVMNSA-N 1 1 377.532 4.035 20 0 GIADMO CC(=O)Nc1cccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183129021 822428266 /nfs/dbraw/zinc/42/82/66/822428266.db2.gz RXMHNGBTBABSCG-YFNKSVMNSA-N 1 1 377.532 4.035 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cnc2ccc(F)cc2c1 ZINC000179011053 822429695 /nfs/dbraw/zinc/42/96/95/822429695.db2.gz BTHVQIKOPVOQSQ-UHFFFAOYSA-N 1 1 399.416 4.047 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000183142155 822430324 /nfs/dbraw/zinc/43/03/24/822430324.db2.gz IOVVCRHHCBESOV-LQKRRCOGSA-N 1 1 386.561 4.155 20 0 GIADMO Cc1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)n(Cc2ccccc2)n1 ZINC000045989410 822431336 /nfs/dbraw/zinc/43/13/36/822431336.db2.gz FFYJOQMUAHDZRS-IBGZPJMESA-N 1 1 383.540 4.016 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nnc(Cc3ccccc3C)o2)cc1 ZINC000183150112 822431714 /nfs/dbraw/zinc/43/17/14/822431714.db2.gz BGHTUXXEETXRHK-QGZVFWFLSA-N 1 1 387.487 4.314 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)C1 ZINC000454134900 822432417 /nfs/dbraw/zinc/43/24/17/822432417.db2.gz LWQSKHIZEPJTNK-INIZCTEOSA-N 1 1 375.822 4.308 20 0 GIADMO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000183162538 822433683 /nfs/dbraw/zinc/43/36/83/822433683.db2.gz NGUMRFDDRPTVBG-JFLLNLJESA-N 1 1 399.343 4.030 20 0 GIADMO CC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000179054487 822433940 /nfs/dbraw/zinc/43/39/40/822433940.db2.gz GKOZBLXQIIBLPG-UHFFFAOYSA-N 1 1 377.410 4.015 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccc(F)c(F)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000454175491 822435746 /nfs/dbraw/zinc/43/57/46/822435746.db2.gz XNPPICASSZGLOA-CQSZACIVSA-N 1 1 377.410 4.090 20 0 GIADMO COCc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000046031224 822436896 /nfs/dbraw/zinc/43/68/96/822436896.db2.gz UKGPSUZWIIANNE-GOSISDBHSA-N 1 1 381.520 4.387 20 0 GIADMO COCc1ccccc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000046031363 822437106 /nfs/dbraw/zinc/43/71/06/822437106.db2.gz JCRLJLZIDKQFCS-GOSISDBHSA-N 1 1 381.520 4.387 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cc3coc(-c4cccs4)n3)CC2)n1 ZINC000183189486 822438498 /nfs/dbraw/zinc/43/84/98/822438498.db2.gz ZCZOKQPUJABLLJ-UHFFFAOYSA-N 1 1 382.411 4.456 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183190429 822438676 /nfs/dbraw/zinc/43/86/76/822438676.db2.gz LRERJCUMKPWNLP-UHFFFAOYSA-N 1 1 394.441 4.301 20 0 GIADMO CCC(CC)n1ncc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C ZINC000179114617 822439931 /nfs/dbraw/zinc/43/99/31/822439931.db2.gz OERZKDHPWUSORU-LJQANCHMSA-N 1 1 376.932 4.239 20 0 GIADMO CC[C@@H](CNC(=S)Nc1ccc(C(C)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000046106434 822441429 /nfs/dbraw/zinc/44/14/29/822441429.db2.gz YVFZZRGUQYSBMC-NRFANRHFSA-N 1 1 381.545 4.013 20 0 GIADMO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000046143729 822444074 /nfs/dbraw/zinc/44/40/74/822444074.db2.gz YTBMZTNTBHOHPV-SFHVURJKSA-N 1 1 397.450 4.339 20 0 GIADMO COc1cc2nc(C[NH2+][C@@H](CC(C)C)c3ccccc3C)[nH]c(=O)c2cc1OC ZINC000183241330 822446958 /nfs/dbraw/zinc/44/69/58/822446958.db2.gz ZQQGMFGGDPMTGP-SFHVURJKSA-N 1 1 395.503 4.126 20 0 GIADMO Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000046180855 822447448 /nfs/dbraw/zinc/44/74/48/822447448.db2.gz LROUDMGEOURXHS-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000454275434 822448360 /nfs/dbraw/zinc/44/83/60/822448360.db2.gz XHLYYRCERRRQMN-NNMXDRDESA-N 1 1 387.568 4.018 20 0 GIADMO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ncc(Br)s1 ZINC000179191220 822449130 /nfs/dbraw/zinc/44/91/30/822449130.db2.gz OHNHGCOOEUFINA-STQMWFEESA-N 1 1 384.343 4.376 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(N2CCCC2)c1 ZINC000179195685 822449279 /nfs/dbraw/zinc/44/92/79/822449279.db2.gz JHZFNZZRQQBEKD-CDNPAEQRSA-N 1 1 392.547 4.092 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ncc(Br)s1 ZINC000179197464 822449471 /nfs/dbraw/zinc/44/94/71/822449471.db2.gz BJDHLYAFYRLPKG-GFCCVEGCSA-N 1 1 377.311 4.001 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)[NH+](C)C ZINC000454287193 822451630 /nfs/dbraw/zinc/45/16/30/822451630.db2.gz MXSBVPPDJIGBRR-RDTXWAMCSA-N 1 1 394.437 4.394 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)[NH+](C)C ZINC000454287187 822451669 /nfs/dbraw/zinc/45/16/69/822451669.db2.gz MXSBVPPDJIGBRR-KBXCAEBGSA-N 1 1 394.437 4.394 20 0 GIADMO Cc1c2ccccc2oc1[C@@H]([NH2+]Cc1nn2c(nc(C)cc2=O)s1)C(C)C ZINC000183270669 822451737 /nfs/dbraw/zinc/45/17/37/822451737.db2.gz KUGUPSSHYSHKFZ-SFHVURJKSA-N 1 1 382.489 4.001 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cnc2ccc(F)cc2c1 ZINC000179217584 822452884 /nfs/dbraw/zinc/45/28/84/822452884.db2.gz KQMVNLDVNXYECF-HNNXBMFYSA-N 1 1 383.492 4.077 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C1CC1 ZINC000179233579 822454918 /nfs/dbraw/zinc/45/49/18/822454918.db2.gz HBHZAEOEGRNDHH-IFXJQAMLSA-N 1 1 388.943 4.418 20 0 GIADMO C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ncc(Br)s1 ZINC000179236101 822455532 /nfs/dbraw/zinc/45/55/32/822455532.db2.gz HSKXLXBGDPZIMY-NSHDSACASA-N 1 1 391.338 4.371 20 0 GIADMO C[C@H](CCN[C@@H](C)c1ncc(Br)s1)[N@@H+](C)Cc1ccccc1 ZINC000179236627 822455587 /nfs/dbraw/zinc/45/55/87/822455587.db2.gz WWOZPSUZJFFYML-KGLIPLIRSA-N 1 1 382.371 4.467 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000183315310 822457735 /nfs/dbraw/zinc/45/77/35/822457735.db2.gz YWWXASWIIDWXHQ-IBGZPJMESA-N 1 1 396.531 4.075 20 0 GIADMO CCc1cc(=O)c2cc(NC(=O)[C@H](c3ccccc3)[NH+](CC)CC)ccc2[nH]1 ZINC000183315603 822457845 /nfs/dbraw/zinc/45/78/45/822457845.db2.gz FRXLANSABXSZPE-QFIPXVFZSA-N 1 1 377.488 4.112 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc2cnccc21 ZINC000183322670 822458909 /nfs/dbraw/zinc/45/89/09/822458909.db2.gz QUCFVVUODDKTDD-NRFANRHFSA-N 1 1 375.472 4.155 20 0 GIADMO COC[C@H]([NH2+]Cc1cccc(Br)c1OC)c1ccc(F)c(F)c1 ZINC000183323399 822459084 /nfs/dbraw/zinc/45/90/84/822459084.db2.gz NQXFNFSDNCRZNF-INIZCTEOSA-N 1 1 386.236 4.213 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccco2)[C@@H]1c1ccccc1 ZINC000179271729 822459626 /nfs/dbraw/zinc/45/96/26/822459626.db2.gz YUCZDEOEPXEUQD-RTWAWAEBSA-N 1 1 379.460 4.030 20 0 GIADMO Cc1ccncc1CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000454360852 822461927 /nfs/dbraw/zinc/46/19/27/822461927.db2.gz JJNUTHCBFFKAFV-UHFFFAOYSA-N 1 1 380.536 4.154 20 0 GIADMO C[C@@H](NC(=O)c1ccccc1NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183361865 822463826 /nfs/dbraw/zinc/46/38/26/822463826.db2.gz BCEXVFHXOUDVSX-UYAOXDASSA-N 1 1 392.547 4.077 20 0 GIADMO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183373277 822465212 /nfs/dbraw/zinc/46/52/12/822465212.db2.gz AYRYAMLKCBDPNB-SANMLTNESA-N 1 1 389.414 4.136 20 0 GIADMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183373277 822465215 /nfs/dbraw/zinc/46/52/15/822465215.db2.gz AYRYAMLKCBDPNB-SANMLTNESA-N 1 1 389.414 4.136 20 0 GIADMO COc1ccc(C[NH2+]C(C)(C)c2ccccc2Br)c(OC)c1OC ZINC000179328400 822466789 /nfs/dbraw/zinc/46/67/89/822466789.db2.gz KJSQQWVUNFSBBV-UHFFFAOYSA-N 1 1 394.309 4.500 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000046372764 822467016 /nfs/dbraw/zinc/46/70/16/822467016.db2.gz DOVQKDOGMAISGY-SFHVURJKSA-N 1 1 383.540 4.051 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000183407350 822469611 /nfs/dbraw/zinc/46/96/11/822469611.db2.gz PTLBOWFRXVPYTN-VFNWGFHPSA-N 1 1 381.476 4.163 20 0 GIADMO Cc1cnc([C@@H](C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000183407979 822469868 /nfs/dbraw/zinc/46/98/68/822469868.db2.gz JMSKZRMEAUQMER-FAXKSRBJSA-N 1 1 398.576 4.050 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000046404541 822470817 /nfs/dbraw/zinc/47/08/17/822470817.db2.gz KUCHSWFNNXZBFC-CVEARBPZSA-N 1 1 383.458 4.136 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1 ZINC000183415887 822471165 /nfs/dbraw/zinc/47/11/65/822471165.db2.gz OGCAXKUYLGHMBU-CYBMUJFWSA-N 1 1 382.851 4.077 20 0 GIADMO Cc1cc(N(C)C)ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454420928 822472883 /nfs/dbraw/zinc/47/28/83/822472883.db2.gz AWWICHRFUCSVGI-GOSISDBHSA-N 1 1 380.536 4.047 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)C1 ZINC000183424755 822472905 /nfs/dbraw/zinc/47/29/05/822472905.db2.gz CIPSAPJFCVHOMH-SFHVURJKSA-N 1 1 390.547 4.402 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454423379 822473266 /nfs/dbraw/zinc/47/32/66/822473266.db2.gz DAOYJKVTEWYYFR-RBBKRZOGSA-N 1 1 393.531 4.081 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(-c4ccoc4)c3)cc2)CC1 ZINC000179382296 822474398 /nfs/dbraw/zinc/47/43/98/822474398.db2.gz PAYKZGSUQUDQOD-UHFFFAOYSA-N 1 1 375.472 4.341 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000183449380 822476580 /nfs/dbraw/zinc/47/65/80/822476580.db2.gz NWAZBEQAQJDWFH-JTHBVZDNSA-N 1 1 391.515 4.041 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc21 ZINC000183447810 822476615 /nfs/dbraw/zinc/47/66/15/822476615.db2.gz INEFYLVTTAOAFK-AEFFLSMTSA-N 1 1 383.540 4.392 20 0 GIADMO CC[C@H]1C[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000183459340 822478364 /nfs/dbraw/zinc/47/83/64/822478364.db2.gz WQVQPKQPYSLTLG-PKTZIBPZSA-N 1 1 392.543 4.125 20 0 GIADMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)cc1 ZINC000046502322 822478847 /nfs/dbraw/zinc/47/88/47/822478847.db2.gz FHNPJYVTOLZKGD-UHFFFAOYSA-N 1 1 382.851 4.119 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1nc2c(s1)CCCC2 ZINC000179412461 822479064 /nfs/dbraw/zinc/47/90/64/822479064.db2.gz GIUBRYVVYADEFZ-LLVKDONJSA-N 1 1 394.338 4.074 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000179422384 822480187 /nfs/dbraw/zinc/48/01/87/822480187.db2.gz UCDKWMGIBPQIPQ-DOTOQJQBSA-N 1 1 397.828 4.237 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000179422384 822480188 /nfs/dbraw/zinc/48/01/88/822480188.db2.gz UCDKWMGIBPQIPQ-DOTOQJQBSA-N 1 1 397.828 4.237 20 0 GIADMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)o1 ZINC000183479320 822482161 /nfs/dbraw/zinc/48/21/61/822482161.db2.gz OUJYHQBVNWXQHW-OAHLLOKOSA-N 1 1 375.362 4.400 20 0 GIADMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(C2CC2)n1 ZINC000454486736 822483125 /nfs/dbraw/zinc/48/31/25/822483125.db2.gz JEEOLYOYAWDIDV-UHFFFAOYSA-N 1 1 383.923 4.269 20 0 GIADMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(C2CC2)n1 ZINC000454486736 822483126 /nfs/dbraw/zinc/48/31/26/822483126.db2.gz JEEOLYOYAWDIDV-UHFFFAOYSA-N 1 1 383.923 4.269 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)CCNC(=O)c1cccs1)C1CCCCC1 ZINC000046539127 822483870 /nfs/dbraw/zinc/48/38/70/822483870.db2.gz USXJXVSNFCVBCX-UHFFFAOYSA-N 1 1 399.560 4.271 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCC[C@@]2(CCSC2)C1 ZINC000454491155 822483961 /nfs/dbraw/zinc/48/39/61/822483961.db2.gz SVFZRBLKKIHJOC-ZYJGPIPZSA-N 1 1 399.604 4.111 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)cc1OC ZINC000183494753 822485456 /nfs/dbraw/zinc/48/54/56/822485456.db2.gz LVVVTJRDYDUSDY-QRQCRPRQSA-N 1 1 388.483 4.007 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179460085 822486046 /nfs/dbraw/zinc/48/60/46/822486046.db2.gz UTCSIQGIUZRKDY-FCHUYYIVSA-N 1 1 378.520 4.162 20 0 GIADMO CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2)o1 ZINC000183503738 822487213 /nfs/dbraw/zinc/48/72/13/822487213.db2.gz ISIDSHAXBJJHBB-DOTOQJQBSA-N 1 1 397.523 4.074 20 0 GIADMO CCn1ccnc1[C@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000454510827 822487699 /nfs/dbraw/zinc/48/76/99/822487699.db2.gz OHCXMGYEKKCEFD-INIZCTEOSA-N 1 1 380.496 4.154 20 0 GIADMO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583308 822488284 /nfs/dbraw/zinc/48/82/84/822488284.db2.gz UHZVYOAQECTAIE-CYBMUJFWSA-N 1 1 382.382 4.053 20 0 GIADMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583308 822488285 /nfs/dbraw/zinc/48/82/85/822488285.db2.gz UHZVYOAQECTAIE-CYBMUJFWSA-N 1 1 382.382 4.053 20 0 GIADMO CCC(CC)n1nc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1C ZINC000183513244 822488409 /nfs/dbraw/zinc/48/84/09/822488409.db2.gz NSYJOPJFYKMEEE-QGZVFWFLSA-N 1 1 384.524 4.198 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C2CC2)n1 ZINC000183521407 822489204 /nfs/dbraw/zinc/48/92/04/822489204.db2.gz AAIHGBFQQPUTJH-PXAZEXFGSA-N 1 1 395.931 4.332 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C2CC2)n1 ZINC000183523261 822489575 /nfs/dbraw/zinc/48/95/75/822489575.db2.gz BSORHDWEDAURHM-ACJLOTCBSA-N 1 1 377.941 4.365 20 0 GIADMO Cc1c(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1F ZINC000183534654 822491269 /nfs/dbraw/zinc/49/12/69/822491269.db2.gz SKZXMTUKWZAIQC-RDJZCZTQSA-N 1 1 399.514 4.094 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCCC3)cc2)C2CC2)n1 ZINC000183534884 822491488 /nfs/dbraw/zinc/49/14/88/822491488.db2.gz SSVDQKNWIFUUIR-FQEVSTJZSA-N 1 1 384.549 4.121 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2cccc3cccnc32)cc1 ZINC000046615732 822493217 /nfs/dbraw/zinc/49/32/17/822493217.db2.gz IXPHQJDGJIUJKF-IBGZPJMESA-N 1 1 387.527 4.468 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C2CC2)n1 ZINC000183553471 822494162 /nfs/dbraw/zinc/49/41/62/822494162.db2.gz AWBAVPJUTFZZAK-IBGZPJMESA-N 1 1 399.516 4.172 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cnn(-c3ccc(Cl)cc3)c1)C2 ZINC000179529810 822497803 /nfs/dbraw/zinc/49/78/03/822497803.db2.gz GCFZEQHXTWJGPN-UHFFFAOYSA-N 1 1 380.879 4.042 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cnn(-c3ccc(Cl)cc3)c1)C2 ZINC000179529810 822497807 /nfs/dbraw/zinc/49/78/07/822497807.db2.gz GCFZEQHXTWJGPN-UHFFFAOYSA-N 1 1 380.879 4.042 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000179532488 822498487 /nfs/dbraw/zinc/49/84/87/822498487.db2.gz LOLTUMCBLRBBAC-UHFFFAOYSA-N 1 1 387.483 4.177 20 0 GIADMO Cc1cccc([C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c2ccccn2)c1 ZINC000179536141 822499311 /nfs/dbraw/zinc/49/93/11/822499311.db2.gz ZVQIBMOKQPTBPZ-QHCPKHFHSA-N 1 1 392.547 4.139 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)s1 ZINC000183609467 822500721 /nfs/dbraw/zinc/50/07/21/822500721.db2.gz GSRHLQXHQAWQBJ-UHFFFAOYSA-N 1 1 398.454 4.024 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)s1 ZINC000183612713 822501179 /nfs/dbraw/zinc/50/11/79/822501179.db2.gz JCUFUZCSHSXELB-ZDUSSCGKSA-N 1 1 398.454 4.024 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)s1 ZINC000183612713 822501182 /nfs/dbraw/zinc/50/11/82/822501182.db2.gz JCUFUZCSHSXELB-ZDUSSCGKSA-N 1 1 398.454 4.024 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000454591403 822502479 /nfs/dbraw/zinc/50/24/79/822502479.db2.gz KDKGKQHCKHYPMT-WMZOPIPTSA-N 1 1 387.474 4.159 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(OCC(C)C)cc1 ZINC000179571552 822505465 /nfs/dbraw/zinc/50/54/65/822505465.db2.gz WWTJLKTUPQZGOM-UHFFFAOYSA-N 1 1 397.519 4.140 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(OCC(C)C)cc1 ZINC000179571552 822505466 /nfs/dbraw/zinc/50/54/66/822505466.db2.gz WWTJLKTUPQZGOM-UHFFFAOYSA-N 1 1 397.519 4.140 20 0 GIADMO Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1-c1cccc(F)c1 ZINC000183656942 822506779 /nfs/dbraw/zinc/50/67/79/822506779.db2.gz KAHQWBSMZQCWKB-DLBZAZTESA-N 1 1 399.514 4.094 20 0 GIADMO CC[C@H](NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1OC ZINC000046709319 822507944 /nfs/dbraw/zinc/50/79/44/822507944.db2.gz UYIFVYQAAOSIEV-HMFYCAOWSA-N 1 1 396.531 4.186 20 0 GIADMO O=C(C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1)N1CCCCC1 ZINC000179590713 822508418 /nfs/dbraw/zinc/50/84/18/822508418.db2.gz XSECQDIRDPAERY-UHFFFAOYSA-N 1 1 399.760 4.327 20 0 GIADMO CCn1ncc2ccc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H](C)C3)cc21 ZINC000454624528 822508421 /nfs/dbraw/zinc/50/84/21/822508421.db2.gz BQCGVZQQUIFRRS-SFHVURJKSA-N 1 1 391.519 4.042 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2cccc3cccnc32)C1 ZINC000046714776 822508757 /nfs/dbraw/zinc/50/87/57/822508757.db2.gz XGKYJUJWNOBRQX-IBGZPJMESA-N 1 1 387.527 4.326 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCC(=O)c2cccs2)C1 ZINC000046714368 822508780 /nfs/dbraw/zinc/50/87/80/822508780.db2.gz NHZRNNRDARQGFU-QGZVFWFLSA-N 1 1 384.545 4.259 20 0 GIADMO S=c1n(CN(C2CC2)C2CCCC2)nc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000046719526 822509504 /nfs/dbraw/zinc/50/95/04/822509504.db2.gz FMLKGQUGSNOHCT-UHFFFAOYSA-N 1 1 397.592 4.364 20 0 GIADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc2sc3ccccc3c2s1 ZINC000179605653 822511274 /nfs/dbraw/zinc/51/12/74/822511274.db2.gz IACURIFHGHNEPK-CQSZACIVSA-N 1 1 388.558 4.083 20 0 GIADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000454644037 822511402 /nfs/dbraw/zinc/51/14/02/822511402.db2.gz FUANYFYWDQNSLQ-LJQANCHMSA-N 1 1 394.519 4.195 20 0 GIADMO O=C(Nc1ccccc1)NC1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000179619996 822514161 /nfs/dbraw/zinc/51/41/61/822514161.db2.gz PLFCRXTUAXCFRA-UHFFFAOYSA-N 1 1 391.874 4.144 20 0 GIADMO Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)s1 ZINC000179621000 822514389 /nfs/dbraw/zinc/51/43/89/822514389.db2.gz OASPENTYMFBNMY-UHFFFAOYSA-N 1 1 396.915 4.122 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000179627775 822515492 /nfs/dbraw/zinc/51/54/92/822515492.db2.gz SEFSBBBYSWMTJK-UHFFFAOYSA-N 1 1 396.466 4.075 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000179627775 822515494 /nfs/dbraw/zinc/51/54/94/822515494.db2.gz SEFSBBBYSWMTJK-UHFFFAOYSA-N 1 1 396.466 4.075 20 0 GIADMO CC[C@H](C)NC(=O)CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183717968 822516167 /nfs/dbraw/zinc/51/61/67/822516167.db2.gz OHLSVRJLAOHUED-UGSOOPFHSA-N 1 1 379.298 4.026 20 0 GIADMO CN1CC[NH+](CCOc2ccc(NCC3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000183723459 822517013 /nfs/dbraw/zinc/51/70/13/822517013.db2.gz VDHQXSULIBSSBC-UHFFFAOYSA-N 1 1 399.501 4.093 20 0 GIADMO Cc1cccc([C@@H](C)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c1C ZINC000183737628 822519429 /nfs/dbraw/zinc/51/94/29/822519429.db2.gz OEDYCGVIBTWTJL-CQSZACIVSA-N 1 1 375.398 4.149 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1cccc(Cl)c1Cl ZINC000183751462 822522130 /nfs/dbraw/zinc/52/21/30/822522130.db2.gz ICCHOGDIJPVCMV-LRDDRELGSA-N 1 1 379.287 4.284 20 0 GIADMO CCCn1ccc2cc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4CCOC)ccc21 ZINC000454716970 822522511 /nfs/dbraw/zinc/52/25/11/822522511.db2.gz CDGLKNNQQZRMCR-WCRBZPEASA-N 1 1 398.551 4.157 20 0 GIADMO Cc1cc2c(cc1NC(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)OCO2 ZINC000183760560 822523851 /nfs/dbraw/zinc/52/38/51/822523851.db2.gz TXNUNICTEUEKIM-YQQQUEKLSA-N 1 1 393.487 4.041 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@](C)(F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454735494 822525102 /nfs/dbraw/zinc/52/51/02/822525102.db2.gz MWBJBJDUNBYJGP-DKSSEZFCSA-N 1 1 385.886 4.006 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3c(F)cccc3F)CC[N@H+]2C2CC2)c1 ZINC000183767963 822525506 /nfs/dbraw/zinc/52/55/06/822525506.db2.gz BGNPWFRJCIZUEK-ICSRJNTNSA-N 1 1 387.430 4.073 20 0 GIADMO Cc1nscc1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000179686023 822527191 /nfs/dbraw/zinc/52/71/91/822527191.db2.gz UDYKATRGFFWFNX-UHFFFAOYSA-N 1 1 397.466 4.207 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)C1 ZINC000454747424 822527288 /nfs/dbraw/zinc/52/72/88/822527288.db2.gz WWKJLGOASBOBHW-ZDUSSCGKSA-N 1 1 384.480 4.176 20 0 GIADMO Cc1cc([C@@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c(C)o1 ZINC000183791668 822528620 /nfs/dbraw/zinc/52/86/20/822528620.db2.gz XDDFDEXKNAJLEH-RDTXWAMCSA-N 1 1 381.432 4.111 20 0 GIADMO C[C@H](NC(=O)N1CC2(CCC2)[C@H]1c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454766960 822530178 /nfs/dbraw/zinc/53/01/78/822530178.db2.gz KOHODNUOCJTBQG-CZTZKLFOSA-N 1 1 393.531 4.427 20 0 GIADMO CCC[N@H+](CCc1cccs1)CN1C(=S)N=NC1Cc1cccs1 ZINC000183811045 822530550 /nfs/dbraw/zinc/53/05/50/822530550.db2.gz QYRQVGLFQZSLEF-UHFFFAOYSA-N 1 1 378.592 4.193 20 0 GIADMO CCC[N@@H+](CCc1cccs1)CN1C(=S)N=NC1Cc1cccs1 ZINC000183811045 822530554 /nfs/dbraw/zinc/53/05/54/822530554.db2.gz QYRQVGLFQZSLEF-UHFFFAOYSA-N 1 1 378.592 4.193 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2CCCc3ccccc3CC2)cc1)[NH+]1CCOCC1 ZINC000454769179 822530553 /nfs/dbraw/zinc/53/05/53/822530553.db2.gz LDCNGWLDDUUGCG-IBGZPJMESA-N 1 1 393.531 4.103 20 0 GIADMO CC(C)c1cnc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)s1 ZINC000183818176 822531293 /nfs/dbraw/zinc/53/12/93/822531293.db2.gz VEIWAJNNUQELCH-HNNXBMFYSA-N 1 1 395.475 4.153 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2cn3ccsc3n2)ccc1OCc1ccncc1 ZINC000179706131 822531741 /nfs/dbraw/zinc/53/17/41/822531741.db2.gz BVDINHWAZUWAIH-OAHLLOKOSA-N 1 1 394.500 4.229 20 0 GIADMO Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]Cc1nnc3ccccn31)CCC2 ZINC000183820854 822531803 /nfs/dbraw/zinc/53/18/03/822531803.db2.gz DJLVFHDSJALUPQ-HNNXBMFYSA-N 1 1 379.464 4.159 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2cc(C)oc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000183823753 822532624 /nfs/dbraw/zinc/53/26/24/822532624.db2.gz UXRPEUMSGCKBFL-LLVKDONJSA-N 1 1 384.379 4.308 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3nc(C(C)(C)C)no3)cc2)C1 ZINC000046935126 822532897 /nfs/dbraw/zinc/53/28/97/822532897.db2.gz OYQSXEWRLPHCDY-INIZCTEOSA-N 1 1 384.524 4.170 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCCCNc1ccccn1)C1CCCCC1 ZINC000046945128 822533344 /nfs/dbraw/zinc/53/33/44/822533344.db2.gz FCONJHZMTBZHOE-UHFFFAOYSA-N 1 1 395.551 4.470 20 0 GIADMO CC(C)C[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(Cl)cc1 ZINC000179717927 822534297 /nfs/dbraw/zinc/53/42/97/822534297.db2.gz KJYGIPCCIAAPIQ-MRXNPFEDSA-N 1 1 386.970 4.218 20 0 GIADMO CC[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1OCC(=O)N(C)C ZINC000179726234 822535941 /nfs/dbraw/zinc/53/59/41/822535941.db2.gz XPNDODZITKJOTL-INIZCTEOSA-N 1 1 383.517 4.004 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccsc1)[N@@H+]1CCc2sccc2C1 ZINC000047010497 822537399 /nfs/dbraw/zinc/53/73/99/822537399.db2.gz XMFGXZYXCLBMLZ-WMLDXEAASA-N 1 1 375.563 4.103 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccsc1)[N@H+]1CCc2sccc2C1 ZINC000047010497 822537401 /nfs/dbraw/zinc/53/74/01/822537401.db2.gz XMFGXZYXCLBMLZ-WMLDXEAASA-N 1 1 375.563 4.103 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047010915 822537524 /nfs/dbraw/zinc/53/75/24/822537524.db2.gz IMEBRVHDEGCTSL-JXFKEZNVSA-N 1 1 399.560 4.050 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000047010915 822537529 /nfs/dbraw/zinc/53/75/29/822537529.db2.gz IMEBRVHDEGCTSL-JXFKEZNVSA-N 1 1 399.560 4.050 20 0 GIADMO C[C@H](CNC(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000047010929 822537678 /nfs/dbraw/zinc/53/76/78/822537678.db2.gz MEMUPJHESXHHKN-ZBFHGGJFSA-N 1 1 375.563 4.103 20 0 GIADMO C[C@H](CNC(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCc2sccc2C1 ZINC000047010929 822537681 /nfs/dbraw/zinc/53/76/81/822537681.db2.gz MEMUPJHESXHHKN-ZBFHGGJFSA-N 1 1 375.563 4.103 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000179740341 822540035 /nfs/dbraw/zinc/54/00/35/822540035.db2.gz LNSPDKRQYSEGAS-AWEZNQCLSA-N 1 1 390.915 4.077 20 0 GIADMO CCc1ccc([C@H](C[NH+]2CCOCC2)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000183882610 822540255 /nfs/dbraw/zinc/54/02/55/822540255.db2.gz IUQLNUPPSQYOPJ-QHCPKHFHSA-N 1 1 395.547 4.329 20 0 GIADMO CC1([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)OCCO1 ZINC000183887050 822540711 /nfs/dbraw/zinc/54/07/11/822540711.db2.gz ZPAYZFCFWNCZMS-FQEVSTJZSA-N 1 1 394.515 4.157 20 0 GIADMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000179745011 822541465 /nfs/dbraw/zinc/54/14/65/822541465.db2.gz JIYVPLMSKAPYEQ-OAHLLOKOSA-N 1 1 383.517 4.113 20 0 GIADMO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047103695 822544767 /nfs/dbraw/zinc/54/47/67/822544767.db2.gz KBOAKZYGGLZAIY-PKOBYXMFSA-N 1 1 376.460 4.243 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2ccccc2Cl)C[C@H](C)O1 ZINC000047127643 822546467 /nfs/dbraw/zinc/54/64/67/822546467.db2.gz SAKJNJQUXNUOBA-HOTGVXAUSA-N 1 1 387.911 4.271 20 0 GIADMO Clc1ccccc1-c1nnc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000179767052 822547986 /nfs/dbraw/zinc/54/79/86/822547986.db2.gz FGZQVSCMEZJPEN-FQEVSTJZSA-N 1 1 397.862 4.402 20 0 GIADMO CC[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2C)CC[N@H+]1Cc1ccccc1 ZINC000183931500 822549377 /nfs/dbraw/zinc/54/93/77/822549377.db2.gz YCGSFDWYFISGRC-NRFANRHFSA-N 1 1 394.519 4.082 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)cc1 ZINC000183933713 822549857 /nfs/dbraw/zinc/54/98/57/822549857.db2.gz LUUXHFNCZBLNOI-NRFANRHFSA-N 1 1 394.519 4.163 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454879751 822550150 /nfs/dbraw/zinc/55/01/50/822550150.db2.gz ZHNFKACVKGIGBZ-FPOVZHCZSA-N 1 1 379.504 4.038 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000047174532 822551173 /nfs/dbraw/zinc/55/11/73/822551173.db2.gz POQCYZXCGNEDDS-UHFFFAOYSA-N 1 1 393.447 4.399 20 0 GIADMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179779692 822551240 /nfs/dbraw/zinc/55/12/40/822551240.db2.gz QVJWZCLEHKGYCT-CYBMUJFWSA-N 1 1 391.302 4.424 20 0 GIADMO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179779692 822551241 /nfs/dbraw/zinc/55/12/41/822551241.db2.gz QVJWZCLEHKGYCT-CYBMUJFWSA-N 1 1 391.302 4.424 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(COc3ccc(F)cc3)o2)C1 ZINC000047187857 822552445 /nfs/dbraw/zinc/55/24/45/822552445.db2.gz FMEGIVSITRUBLU-QGZVFWFLSA-N 1 1 388.483 4.240 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1)c1nccs1 ZINC000183965830 822555230 /nfs/dbraw/zinc/55/52/30/822555230.db2.gz YYIUGLKCLIKRNV-KRWDZBQOSA-N 1 1 379.529 4.408 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1)c1nccs1 ZINC000183965830 822555232 /nfs/dbraw/zinc/55/52/32/822555232.db2.gz YYIUGLKCLIKRNV-KRWDZBQOSA-N 1 1 379.529 4.408 20 0 GIADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1 ZINC000454913024 822555657 /nfs/dbraw/zinc/55/56/57/822555657.db2.gz ARABCHTTZTWPMC-LSDHHAIUSA-N 1 1 395.828 4.019 20 0 GIADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1 ZINC000454913024 822555658 /nfs/dbraw/zinc/55/56/58/822555658.db2.gz ARABCHTTZTWPMC-LSDHHAIUSA-N 1 1 395.828 4.019 20 0 GIADMO C[C@H](F)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000454919225 822556658 /nfs/dbraw/zinc/55/66/58/822556658.db2.gz GFMMZADGNOYESE-QKHUXGNCSA-N 1 1 381.923 4.301 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)s1 ZINC000183979805 822557395 /nfs/dbraw/zinc/55/73/95/822557395.db2.gz YQIOAHZZWMRCOU-AWEZNQCLSA-N 1 1 383.439 4.101 20 0 GIADMO COCCOc1cc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1OC ZINC000179811131 822557722 /nfs/dbraw/zinc/55/77/22/822557722.db2.gz PPTYRZPZFJUMTG-MRXNPFEDSA-N 1 1 381.476 4.388 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@@H](C)c2nccs2)c(Br)c1OC ZINC000183986052 822558257 /nfs/dbraw/zinc/55/82/57/822558257.db2.gz FKGHVXYKZIENGL-LLVKDONJSA-N 1 1 385.327 4.158 20 0 GIADMO CC(C)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000183993273 822559823 /nfs/dbraw/zinc/55/98/23/822559823.db2.gz FUMKEMTUVJQGNT-HBMCJLEFSA-N 1 1 393.616 4.265 20 0 GIADMO Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000454947676 822561780 /nfs/dbraw/zinc/56/17/80/822561780.db2.gz NSXYODPEXLHLIN-AUSIDOKSSA-N 1 1 384.568 4.323 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3nc4ccccc4[nH]3)cc2)C1 ZINC000047284124 822562168 /nfs/dbraw/zinc/56/21/68/822562168.db2.gz WRAYDRKWFHEDJU-QGZVFWFLSA-N 1 1 376.504 4.366 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 ZINC000047284058 822562206 /nfs/dbraw/zinc/56/22/06/822562206.db2.gz KLGJGQGEJJDMCY-GOSISDBHSA-N 1 1 391.515 4.298 20 0 GIADMO C[C@H](C[N@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1nccs1 ZINC000184011210 822563339 /nfs/dbraw/zinc/56/33/39/822563339.db2.gz DLDHSIUTFUXHEF-LLVKDONJSA-N 1 1 382.320 4.266 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1nccs1 ZINC000184011210 822563342 /nfs/dbraw/zinc/56/33/42/822563342.db2.gz DLDHSIUTFUXHEF-LLVKDONJSA-N 1 1 382.320 4.266 20 0 GIADMO Cc1cc(CNC(=O)N[C@H]2CCCc3c(F)cccc32)cc(N2CCCC2)[nH+]1 ZINC000454967690 822564309 /nfs/dbraw/zinc/56/43/09/822564309.db2.gz GYBCZNLOZXTDAR-FQEVSTJZSA-N 1 1 382.483 4.006 20 0 GIADMO C[C@@H](C[N@@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1nccs1 ZINC000184022683 822565945 /nfs/dbraw/zinc/56/59/45/822565945.db2.gz KTUFXYKDTHCGBV-SWLSCSKDSA-N 1 1 383.439 4.003 20 0 GIADMO C[C@H](C[N@@H+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1nccs1 ZINC000184022700 822566022 /nfs/dbraw/zinc/56/60/22/822566022.db2.gz KTUFXYKDTHCGBV-IUODEOHRSA-N 1 1 383.439 4.003 20 0 GIADMO CCC(=O)c1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000454984746 822566166 /nfs/dbraw/zinc/56/61/66/822566166.db2.gz FDTUIAWXEYINSQ-GOSISDBHSA-N 1 1 379.504 4.265 20 0 GIADMO Cc1ccc(F)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047336441 822568083 /nfs/dbraw/zinc/56/80/83/822568083.db2.gz PVHNDSJXWZLDBZ-UHFFFAOYSA-N 1 1 377.410 4.198 20 0 GIADMO CCCCn1ccnc1-c1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000455006494 822569206 /nfs/dbraw/zinc/56/92/06/822569206.db2.gz XWIRNEYBWZCOGK-HSZRJFAPSA-N 1 1 395.551 4.300 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179892316 822572446 /nfs/dbraw/zinc/57/24/46/822572446.db2.gz ZJNZJYDLXYTTSK-LJQANCHMSA-N 1 1 392.503 4.064 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179892299 822572468 /nfs/dbraw/zinc/57/24/68/822572468.db2.gz ZJNZJYDLXYTTSK-IBGZPJMESA-N 1 1 392.503 4.064 20 0 GIADMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083805 822575671 /nfs/dbraw/zinc/57/56/71/822575671.db2.gz OCOIIWWHVQGIEA-SXGZJXTBSA-N 1 1 384.395 4.276 20 0 GIADMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000047405816 822575770 /nfs/dbraw/zinc/57/57/70/822575770.db2.gz ZVVKLMMLDHSVHL-JTQLQIEISA-N 1 1 377.699 4.086 20 0 GIADMO Cc1c(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cnn1CC(C)C ZINC000455036458 822576968 /nfs/dbraw/zinc/57/69/68/822576968.db2.gz IUSKEKBDIDUQJS-UHFFFAOYSA-N 1 1 383.540 4.024 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000179925845 822578369 /nfs/dbraw/zinc/57/83/69/822578369.db2.gz FLYCXLAXQCSOEY-INIZCTEOSA-N 1 1 385.483 4.114 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccnc2C(F)(F)F)CC1 ZINC000179929832 822578930 /nfs/dbraw/zinc/57/89/30/822578930.db2.gz PJXGOVSISYGKJE-HNNXBMFYSA-N 1 1 383.458 4.217 20 0 GIADMO COCC[N@@H+](Cc1ccco1)Cc1ccc(Br)c2cccnc12 ZINC000179939194 822580956 /nfs/dbraw/zinc/58/09/56/822580956.db2.gz FXMCPHDQHJBSBM-UHFFFAOYSA-N 1 1 375.266 4.239 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184118898 822581165 /nfs/dbraw/zinc/58/11/65/822581165.db2.gz IUKVUQBWZMZXNG-UHFFFAOYSA-N 1 1 388.552 4.001 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184118898 822581166 /nfs/dbraw/zinc/58/11/66/822581166.db2.gz IUKVUQBWZMZXNG-UHFFFAOYSA-N 1 1 388.552 4.001 20 0 GIADMO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000455056203 822581769 /nfs/dbraw/zinc/58/17/69/822581769.db2.gz LGADOZQRMHLOJE-DPAVQSFQSA-N 1 1 382.335 4.023 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000455055340 822581782 /nfs/dbraw/zinc/58/17/82/822581782.db2.gz VOIWWJQDNNBOGO-VNYTWHDVSA-N 1 1 383.561 4.234 20 0 GIADMO C[C@H](F)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000455060633 822582558 /nfs/dbraw/zinc/58/25/58/822582558.db2.gz SXIPHESEDQNWIA-YSVLISHTSA-N 1 1 389.437 4.136 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000179952185 822584662 /nfs/dbraw/zinc/58/46/62/822584662.db2.gz YRKVOOCZZWKIGD-OAHLLOKOSA-N 1 1 386.542 4.455 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H](F)C2)cc1)C[C@H]1CCCCO1 ZINC000455073346 822584940 /nfs/dbraw/zinc/58/49/40/822584940.db2.gz HJEDPNFHHCRTJG-UYAOXDASSA-N 1 1 377.504 4.042 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000179959418 822585867 /nfs/dbraw/zinc/58/58/67/822585867.db2.gz DGTSBDXCDDBUGZ-LLVKDONJSA-N 1 1 384.423 4.438 20 0 GIADMO C[C@H](CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)NC(=O)c1ccccc1 ZINC000047522485 822586877 /nfs/dbraw/zinc/58/68/77/822586877.db2.gz MNYARUFYCFNGKT-MOPGFXCFSA-N 1 1 393.531 4.208 20 0 GIADMO CC(C)[N@@H+](Cc1ccc(NC(=O)NCC[C@H](C)F)cc1)C[C@H]1CCCCO1 ZINC000455082961 822586996 /nfs/dbraw/zinc/58/69/96/822586996.db2.gz ZEWYQBGTGMJZBJ-FXAWDEMLSA-N 1 1 379.520 4.336 20 0 GIADMO O=C(N[C@@H]1CCC[C@@H]1F)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000455089325 822587544 /nfs/dbraw/zinc/58/75/44/822587544.db2.gz JPWCHIKFJWHNAZ-DLBZAZTESA-N 1 1 388.314 4.148 20 0 GIADMO O=S(=O)(c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1)C(F)F ZINC000179985131 822590712 /nfs/dbraw/zinc/59/07/12/822590712.db2.gz WADVRJPOJSTUPA-UHFFFAOYSA-N 1 1 387.398 4.130 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[N@H+](C2CCC2)C1 ZINC000455115608 822591125 /nfs/dbraw/zinc/59/11/25/822591125.db2.gz VSBPIVOWBZLFOY-GFCCVEGCSA-N 1 1 387.858 4.280 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000179987381 822591381 /nfs/dbraw/zinc/59/13/81/822591381.db2.gz ORVBIUKJJOPJHF-LBPRGKRZSA-N 1 1 383.398 4.355 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)CC1 ZINC000455118978 822591735 /nfs/dbraw/zinc/59/17/35/822591735.db2.gz PVQNXOPSYLFFDG-UHFFFAOYSA-N 1 1 391.475 4.094 20 0 GIADMO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000180009827 822595635 /nfs/dbraw/zinc/59/56/35/822595635.db2.gz PBQRRKCZOIKERL-KSSFIOAISA-N 1 1 386.883 4.055 20 0 GIADMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000184213088 822597310 /nfs/dbraw/zinc/59/73/10/822597310.db2.gz BBTYLFOYFMWORJ-LYVPNPBASA-N 1 1 399.516 4.259 20 0 GIADMO COc1cccc([C@H](CNC(=O)c2scnc2C2CCCC2)[NH+]2CCCC2)c1 ZINC000184225432 822599025 /nfs/dbraw/zinc/59/90/25/822599025.db2.gz CLTQKCYDFJBQIX-IBGZPJMESA-N 1 1 399.560 4.376 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2cccc(F)c2)cn1 ZINC000180030542 822600854 /nfs/dbraw/zinc/60/08/54/822600854.db2.gz CDHLLVIJWMASMZ-LJQANCHMSA-N 1 1 393.384 4.380 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@H](CCC(C)C)c3ccc(Cl)cc3)sc2n1 ZINC000180031082 822601032 /nfs/dbraw/zinc/60/10/32/822601032.db2.gz AWWXGINYKRHBFY-MRXNPFEDSA-N 1 1 390.940 4.380 20 0 GIADMO Cc1cccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1Br ZINC000455176927 822602417 /nfs/dbraw/zinc/60/24/17/822602417.db2.gz YBMRPCGDLALEEZ-CYBMUJFWSA-N 1 1 380.330 4.096 20 0 GIADMO Cc1cccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1Br ZINC000455176928 822602422 /nfs/dbraw/zinc/60/24/22/822602422.db2.gz YBMRPCGDLALEEZ-ZDUSSCGKSA-N 1 1 380.330 4.096 20 0 GIADMO Cc1[nH]c2ccc(C(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)cc2c1C ZINC000047714847 822602886 /nfs/dbraw/zinc/60/28/86/822602886.db2.gz ZQIWVHKAWMOZGR-UHFFFAOYSA-N 1 1 397.469 4.457 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000047715269 822603121 /nfs/dbraw/zinc/60/31/21/822603121.db2.gz QAKQVUMEZIWYNA-UHFFFAOYSA-N 1 1 394.519 4.083 20 0 GIADMO Cc1csc(Sc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC3)c(C)c2)n1 ZINC000184257924 822604518 /nfs/dbraw/zinc/60/45/18/822604518.db2.gz GZTSXMMJQGBJFF-UHFFFAOYSA-N 1 1 390.578 4.469 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(F)c(Br)c1 ZINC000180056230 822605413 /nfs/dbraw/zinc/60/54/13/822605413.db2.gz WESNABIVIIUBJF-ACJLOTCBSA-N 1 1 378.289 4.306 20 0 GIADMO C[C@@H](CC(=O)Nc1cccnc1Cl)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000180061608 822606657 /nfs/dbraw/zinc/60/66/57/822606657.db2.gz LKYOWVRUSFJBCA-LBPRGKRZSA-N 1 1 383.883 4.328 20 0 GIADMO C[C@@H](Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C)c1ccc(S(C)(=O)=O)cc1 ZINC000180063309 822607085 /nfs/dbraw/zinc/60/70/85/822607085.db2.gz QXHKRTSSHHUCRX-CQSZACIVSA-N 1 1 385.533 4.447 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccco1 ZINC000047792183 822609360 /nfs/dbraw/zinc/60/93/60/822609360.db2.gz FTEJEFYFOUQTEG-VQIMIIECSA-N 1 1 387.480 4.172 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cccnc3-c3ccc(Cl)s3)C2)C1 ZINC000455230564 822613339 /nfs/dbraw/zinc/61/33/39/822613339.db2.gz QJGHUGFJBOALOW-GOSISDBHSA-N 1 1 376.913 4.023 20 0 GIADMO COCCOc1cc(C)ccc1NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000047855377 822614305 /nfs/dbraw/zinc/61/43/05/822614305.db2.gz STQPSHKCFAFRCC-UHFFFAOYSA-N 1 1 399.535 4.182 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)C1 ZINC000180098445 822614889 /nfs/dbraw/zinc/61/48/89/822614889.db2.gz FQRIZEMIFNTNOO-LJQANCHMSA-N 1 1 392.507 4.117 20 0 GIADMO COc1ccc(/C=C(\C)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000184329039 822615996 /nfs/dbraw/zinc/61/59/96/822615996.db2.gz BTDNJNAUNDTTIO-DOIQENQNSA-N 1 1 396.506 4.218 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cncc(Cl)c3Cl)cc2)C[C@@H](C)O1 ZINC000180111612 822617743 /nfs/dbraw/zinc/61/77/43/822617743.db2.gz OSWYTANBIOBDMN-CHWSQXEVSA-N 1 1 394.302 4.250 20 0 GIADMO CC[C@H](C)n1ncc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000455262470 822620590 /nfs/dbraw/zinc/62/05/90/822620590.db2.gz MQTLXTOICZLAAX-MSOLQXFVSA-N 1 1 383.540 4.148 20 0 GIADMO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000455262478 822620609 /nfs/dbraw/zinc/62/06/09/822620609.db2.gz MQTLXTOICZLAAX-ZWKOTPCHSA-N 1 1 383.540 4.148 20 0 GIADMO COc1cc2nc(C[NH2+][C@@H](C)c3cc4ccccc4s3)[nH]c(=O)c2cc1OC ZINC000184354908 822620856 /nfs/dbraw/zinc/62/08/56/822620856.db2.gz SVNLYXQHYGSZBB-LBPRGKRZSA-N 1 1 395.484 4.006 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000180131584 822622101 /nfs/dbraw/zinc/62/21/01/822622101.db2.gz NMDYJBBUMLSAPH-UHFFFAOYSA-N 1 1 398.841 4.162 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000180133935 822623033 /nfs/dbraw/zinc/62/30/33/822623033.db2.gz MEHOZVQFPXNANP-VLIAUNLRSA-N 1 1 383.879 4.135 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047983694 822623542 /nfs/dbraw/zinc/62/35/42/822623542.db2.gz DWZGKZOHZSTVAN-IBGZPJMESA-N 1 1 399.579 4.110 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047983694 822623544 /nfs/dbraw/zinc/62/35/44/822623544.db2.gz DWZGKZOHZSTVAN-IBGZPJMESA-N 1 1 399.579 4.110 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)NCc1ncc(-c2ccccc2)o1)c1ccccc1Cl ZINC000047994174 822624467 /nfs/dbraw/zinc/62/44/67/822624467.db2.gz CEDKANANSNSIKO-SFHVURJKSA-N 1 1 398.894 4.097 20 0 GIADMO Cc1c(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cccc1N(C)C ZINC000180143040 822625356 /nfs/dbraw/zinc/62/53/56/822625356.db2.gz VBWQTOSLRRUYNF-HXUWFJFHSA-N 1 1 380.536 4.189 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000180143130 822625452 /nfs/dbraw/zinc/62/54/52/822625452.db2.gz SUFRDULDEFOXFX-CQSZACIVSA-N 1 1 380.583 4.061 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000180143130 822625455 /nfs/dbraw/zinc/62/54/55/822625455.db2.gz SUFRDULDEFOXFX-CQSZACIVSA-N 1 1 380.583 4.061 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)co2)cc1 ZINC000048047335 822626618 /nfs/dbraw/zinc/62/66/18/822626618.db2.gz YSLCLNHCDQHRRE-GOSISDBHSA-N 1 1 381.520 4.121 20 0 GIADMO O=C(COc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1)N1CCCC1 ZINC000180155296 822628623 /nfs/dbraw/zinc/62/86/23/822628623.db2.gz YAYREQSVLLGUEK-NRFANRHFSA-N 1 1 382.479 4.164 20 0 GIADMO FC(F)(F)CCN1CCC([NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000180157094 822629025 /nfs/dbraw/zinc/62/90/25/822629025.db2.gz XIUHNYPXSASSLU-UHFFFAOYSA-N 1 1 375.523 4.182 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)c1nc(C)cs1 ZINC000184412514 822630420 /nfs/dbraw/zinc/63/04/20/822630420.db2.gz HODWASKJEOSLFV-PKOBYXMFSA-N 1 1 375.538 4.014 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)CCCc2nc3ccccc3s2)[C@@H]1c1ccccc1 ZINC000180171074 822631700 /nfs/dbraw/zinc/63/17/00/822631700.db2.gz HZCFKMXPWBEZKN-AVRDEDQJSA-N 1 1 379.529 4.181 20 0 GIADMO Cc1cnc(CC[N@@H+](C)Cc2cc3c(cc2Br)OCCCO3)s1 ZINC000180172357 822632162 /nfs/dbraw/zinc/63/21/62/822632162.db2.gz SDDXMTQKDLVERV-UHFFFAOYSA-N 1 1 397.338 4.050 20 0 GIADMO Cc1cnc(CC[N@H+](C)Cc2cc3c(cc2Br)OCCCO3)s1 ZINC000180172357 822632164 /nfs/dbraw/zinc/63/21/64/822632164.db2.gz SDDXMTQKDLVERV-UHFFFAOYSA-N 1 1 397.338 4.050 20 0 GIADMO CC(C)[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nc(C2CC2)no1 ZINC000180173223 822632336 /nfs/dbraw/zinc/63/23/36/822632336.db2.gz RZITZTYJSUXMSH-BURNTYAHSA-N 1 1 380.536 4.144 20 0 GIADMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180177847 822633133 /nfs/dbraw/zinc/63/31/33/822633133.db2.gz SHDKUGFTFJBZAO-XNFNUYLZSA-N 1 1 396.934 4.324 20 0 GIADMO CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180177847 822633135 /nfs/dbraw/zinc/63/31/35/822633135.db2.gz SHDKUGFTFJBZAO-XNFNUYLZSA-N 1 1 396.934 4.324 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cn(C)nc2-c2ccccc2)CC1 ZINC000180183110 822634444 /nfs/dbraw/zinc/63/44/44/822634444.db2.gz PIPUNSWDDZKAKP-LJQANCHMSA-N 1 1 394.563 4.204 20 0 GIADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cnn1-c1cccc(Cl)c1 ZINC000180189981 822635809 /nfs/dbraw/zinc/63/58/09/822635809.db2.gz PQCGWZNLNJPOPU-NHCUHLMSSA-N 1 1 394.906 4.009 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1c[nH]c2ccccc12)c1nc(C(C)(C)C)cs1 ZINC000184457708 822638831 /nfs/dbraw/zinc/63/88/31/822638831.db2.gz OWCDQEKNAHABSY-LSDHHAIUSA-N 1 1 398.576 4.320 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2ccc(CCC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000180209063 822639876 /nfs/dbraw/zinc/63/98/76/822639876.db2.gz IWJFWZGGBLMMNP-OALUTQOASA-N 1 1 376.422 4.357 20 0 GIADMO O=C1C[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)CN1c1c(F)cccc1F ZINC000180218498 822641468 /nfs/dbraw/zinc/64/14/68/822641468.db2.gz ZQTDGQZKTAUDGD-LBPRGKRZSA-N 1 1 391.468 4.045 20 0 GIADMO Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@H](CC(=O)OC(C)C)C3)nc(N)c2c1C ZINC000184471080 822641915 /nfs/dbraw/zinc/64/19/15/822641915.db2.gz DRUKRWATWKERJJ-DZGCQCFKSA-N 1 1 390.553 4.005 20 0 GIADMO Cc1sc2nc([C@H](C)[N@H+]3CCC[C@H](CC(=O)OC(C)C)C3)nc(N)c2c1C ZINC000184471080 822641917 /nfs/dbraw/zinc/64/19/17/822641917.db2.gz DRUKRWATWKERJJ-DZGCQCFKSA-N 1 1 390.553 4.005 20 0 GIADMO O=C(CCCCC(=O)c1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000048182928 822642820 /nfs/dbraw/zinc/64/28/20/822642820.db2.gz BNVQJMXFFACEIC-FQEVSTJZSA-N 1 1 382.504 4.366 20 0 GIADMO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000180229444 822644020 /nfs/dbraw/zinc/64/40/20/822644020.db2.gz OCNMRXMISUKWSI-YHJVDBJQSA-N 1 1 386.858 4.241 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(C)c1 ZINC000184487921 822644560 /nfs/dbraw/zinc/64/45/60/822644560.db2.gz MFNQDZFAFYAQNL-HXUWFJFHSA-N 1 1 388.552 4.384 20 0 GIADMO COc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1OC(F)F ZINC000048228146 822647067 /nfs/dbraw/zinc/64/70/67/822647067.db2.gz HDXNXFZRAZMDBJ-UHFFFAOYSA-N 1 1 392.446 4.067 20 0 GIADMO Cc1cccn2cc(COc3ccc(C[NH2+][C@H](CCO)c4ccco4)cc3)nc12 ZINC000184510760 822647970 /nfs/dbraw/zinc/64/79/70/822647970.db2.gz MCRZRCPRWMXPND-OAQYLSRUSA-N 1 1 391.471 4.028 20 0 GIADMO OCC[C@@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccco1 ZINC000184517093 822649393 /nfs/dbraw/zinc/64/93/93/822649393.db2.gz QHEOLXBPEBLWBA-UKRRQHHQSA-N 1 1 397.315 4.365 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000455421053 822650623 /nfs/dbraw/zinc/65/06/23/822650623.db2.gz MCNHIEAYWXCWEE-BVYCBKJFSA-N 1 1 382.935 4.124 20 0 GIADMO COc1ccc2nc(Cl)c(C(=O)Nc3c[nH+]ccc3-n3cc(C)cn3)cc2c1 ZINC000180263433 822650775 /nfs/dbraw/zinc/65/07/75/822650775.db2.gz RFRNMLPEGYUCIS-UHFFFAOYSA-N 1 1 393.834 4.038 20 0 GIADMO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184531569 822652105 /nfs/dbraw/zinc/65/21/05/822652105.db2.gz AGPMWACEHKKDEH-OAHLLOKOSA-N 1 1 381.501 4.498 20 0 GIADMO CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000180277158 822653064 /nfs/dbraw/zinc/65/30/64/822653064.db2.gz DXUIZRHOXUUTOK-HSZRJFAPSA-N 1 1 390.531 4.065 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CSCc3cccnc3)cc2)C1 ZINC000048311279 822653071 /nfs/dbraw/zinc/65/30/71/822653071.db2.gz XIJHWGGQAVTLAE-KDURUIRLSA-N 1 1 397.588 4.109 20 0 GIADMO C[N@@H+](CCCNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2)C1CCCCC1 ZINC000455439049 822654215 /nfs/dbraw/zinc/65/42/15/822654215.db2.gz YSCFVTLFTXWUNY-UHFFFAOYSA-N 1 1 394.510 4.043 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180302766 822660210 /nfs/dbraw/zinc/66/02/10/822660210.db2.gz OEJCVUJTMRHLBC-NRFANRHFSA-N 1 1 379.483 4.439 20 0 GIADMO C[C@@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455468621 822660538 /nfs/dbraw/zinc/66/05/38/822660538.db2.gz FPBSXTAFTNQCRZ-DXJOGWAWSA-N 1 1 383.458 4.123 20 0 GIADMO COc1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC(F)F ZINC000184580542 822660876 /nfs/dbraw/zinc/66/08/76/822660876.db2.gz 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ZINC000048776591 822682264 /nfs/dbraw/zinc/68/22/64/822682264.db2.gz QIZNFRBZOMRVFR-UHFFFAOYSA-N 1 1 375.501 4.102 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)C1CC1 ZINC000455606196 822683248 /nfs/dbraw/zinc/68/32/48/822683248.db2.gz HNDRGFKQGDIRFV-GOSISDBHSA-N 1 1 394.357 4.170 20 0 GIADMO Brc1ccccc1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000048819902 822684367 /nfs/dbraw/zinc/68/43/67/822684367.db2.gz MDZGCROBCUNDES-UHFFFAOYSA-N 1 1 399.082 4.230 20 0 GIADMO c1csc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000180457988 822685841 /nfs/dbraw/zinc/68/58/41/822685841.db2.gz BFSHBHMPVUUTDW-AZUAARDMSA-N 1 1 397.569 4.307 20 0 GIADMO c1csc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000180457988 822685844 /nfs/dbraw/zinc/68/58/44/822685844.db2.gz BFSHBHMPVUUTDW-AZUAARDMSA-N 1 1 397.569 4.307 20 0 GIADMO C[C@H](NCc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180464297 822686893 /nfs/dbraw/zinc/68/68/93/822686893.db2.gz NSZUDDLNJLVYQC-FUHWJXTLSA-N 1 1 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IUSITALJWFBGKA-JOCHJYFZSA-N 1 1 386.580 4.248 20 0 GIADMO C[C@]1(NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000569460835 822925800 /nfs/dbraw/zinc/92/58/00/822925800.db2.gz KBPLUFLLPYUCGX-KRWDZBQOSA-N 1 1 398.454 4.034 20 0 GIADMO CCc1ccc(NC(=S)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000054969804 822926116 /nfs/dbraw/zinc/92/61/16/822926116.db2.gz FNQOYBPLEZNOQV-UHFFFAOYSA-N 1 1 389.515 4.478 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(Cc1cccs1)c1ccc(F)cc1F ZINC000054971222 822926322 /nfs/dbraw/zinc/92/63/22/822926322.db2.gz KVXBJXVDMGRJGV-OAHLLOKOSA-N 1 1 395.544 4.392 20 0 GIADMO O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569471234 822927076 /nfs/dbraw/zinc/92/70/76/822927076.db2.gz FHVKCSPMBPMJQZ-HKUYNNGSSA-N 1 1 394.412 4.458 20 0 GIADMO CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000175294788 822927216 /nfs/dbraw/zinc/92/72/16/822927216.db2.gz ZQZRENRIMAUNBJ-QZTJIDSGSA-N 1 1 393.622 4.421 20 0 GIADMO CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000569480564 822928007 /nfs/dbraw/zinc/92/80/07/822928007.db2.gz SYZZONSKFVOHSW-OAHLLOKOSA-N 1 1 395.334 4.347 20 0 GIADMO CCCCc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000054984665 822928507 /nfs/dbraw/zinc/92/85/07/822928507.db2.gz WWKGYDVARCYXNR-UHFFFAOYSA-N 1 1 379.533 4.405 20 0 GIADMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000186644831 822928763 /nfs/dbraw/zinc/92/87/63/822928763.db2.gz IIHUVPBVAPVXSD-QMHKHESXSA-N 1 1 392.478 4.126 20 0 GIADMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)c1 ZINC000054992686 822929023 /nfs/dbraw/zinc/92/90/23/822929023.db2.gz SYFFTQIRRGEXFV-LJQANCHMSA-N 1 1 395.459 4.100 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)c1 ZINC000054992686 822929028 /nfs/dbraw/zinc/92/90/28/822929028.db2.gz SYFFTQIRRGEXFV-LJQANCHMSA-N 1 1 395.459 4.100 20 0 GIADMO CCOCCOCc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1C ZINC000175301085 822929066 /nfs/dbraw/zinc/92/90/66/822929066.db2.gz INDMNONDBUTLNI-QHCPKHFHSA-N 1 1 396.531 4.151 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc(OC)c1OC ZINC000186653225 822930174 /nfs/dbraw/zinc/93/01/74/822930174.db2.gz CFIZYCPBUFIVOE-SPLOXXLWSA-N 1 1 399.466 4.025 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000457902817 822931541 /nfs/dbraw/zinc/93/15/41/822931541.db2.gz DVHSAVADNISCDI-WIYYLYMNSA-N 1 1 394.563 4.416 20 0 GIADMO C[N@H+]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000569512401 822932353 /nfs/dbraw/zinc/93/23/53/822932353.db2.gz GVYYBYHBSLVEMU-QHCPKHFHSA-N 1 1 399.538 4.151 20 0 GIADMO Fc1ccc(-c2nn(-c3ccccc3)cc2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000055043151 822933714 /nfs/dbraw/zinc/93/37/14/822933714.db2.gz MMVYARVPQKCLBF-UHFFFAOYSA-N 1 1 390.506 4.395 20 0 GIADMO COc1ccc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc1SC ZINC000457919285 822935738 /nfs/dbraw/zinc/93/57/38/822935738.db2.gz XHKMCKGNBHDMCQ-CHWSQXEVSA-N 1 1 390.471 4.264 20 0 GIADMO CC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000569533868 822936048 /nfs/dbraw/zinc/93/60/48/822936048.db2.gz QNXREFYFNKDJTM-PSLXWICFSA-N 1 1 378.365 4.381 20 0 GIADMO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1-c1ccccc1 ZINC000186697476 822939532 /nfs/dbraw/zinc/93/95/32/822939532.db2.gz VWAZTFPPQATAPK-VWLOTQADSA-N 1 1 384.479 4.424 20 0 GIADMO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1-c1ccccc1 ZINC000186697476 822939536 /nfs/dbraw/zinc/93/95/36/822939536.db2.gz VWAZTFPPQATAPK-VWLOTQADSA-N 1 1 384.479 4.424 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3ccccc3OCC(C)C)CC2)[nH+]c1 ZINC000175346713 822941153 /nfs/dbraw/zinc/94/11/53/822941153.db2.gz VFLIIECCDPFHEV-UHFFFAOYSA-N 1 1 382.508 4.215 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(CCC(F)(F)F)CC3CC3)cc2)C[C@H](C)O1 ZINC000175354201 822943410 /nfs/dbraw/zinc/94/34/10/822943410.db2.gz JAFCTLHBMUZQCT-HOTGVXAUSA-N 1 1 398.469 4.100 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3Cl)CC2)cc1 ZINC000055209541 822946090 /nfs/dbraw/zinc/94/60/90/822946090.db2.gz WQRCSHRPEBLZHQ-UHFFFAOYSA-N 1 1 386.923 4.016 20 0 GIADMO CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)c1cccnc1 ZINC000175365376 822947636 /nfs/dbraw/zinc/94/76/36/822947636.db2.gz RTXWMPVSCCIAKW-JOCHJYFZSA-N 1 1 382.552 4.161 20 0 GIADMO COc1ccc(CC[N@H+](Cc2ccsc2)C[C@@H](O)C(C)(C)C)cc1OC ZINC000569646531 822949833 /nfs/dbraw/zinc/94/98/33/822949833.db2.gz ABRBJMYJILEYIO-HXUWFJFHSA-N 1 1 377.550 4.217 20 0 GIADMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC(C)(C)c1ccc(C)cc1C ZINC000569647956 822950030 /nfs/dbraw/zinc/95/00/30/822950030.db2.gz LBGFFBYMEMMVMR-LJQANCHMSA-N 1 1 382.552 4.214 20 0 GIADMO CCc1c(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cnn1CCC(C)C ZINC000569648069 822950071 /nfs/dbraw/zinc/95/00/71/822950071.db2.gz CLIYCYGNNOEIFI-NRFANRHFSA-N 1 1 383.540 4.012 20 0 GIADMO CCc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cnn1CCC(C)C ZINC000569648069 822950073 /nfs/dbraw/zinc/95/00/73/822950073.db2.gz CLIYCYGNNOEIFI-NRFANRHFSA-N 1 1 383.540 4.012 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC[N@H+]1C ZINC000175377824 822951584 /nfs/dbraw/zinc/95/15/84/822951584.db2.gz VJYUOBDYNUOUJF-OXQOHEQNSA-N 1 1 385.483 4.351 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC[N@H+]1C ZINC000175377857 822951606 /nfs/dbraw/zinc/95/16/06/822951606.db2.gz VJYUOBDYNUOUJF-UZLBHIALSA-N 1 1 385.483 4.351 20 0 GIADMO O=C(NCc1cccs1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000055338374 822953188 /nfs/dbraw/zinc/95/31/88/822953188.db2.gz DDRYHPLTTHUPEF-UHFFFAOYSA-N 1 1 397.466 4.231 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000175387888 822955152 /nfs/dbraw/zinc/95/51/52/822955152.db2.gz XILJGRSEHPAQLB-UHFFFAOYSA-N 1 1 391.519 4.430 20 0 GIADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000175389732 822956097 /nfs/dbraw/zinc/95/60/97/822956097.db2.gz FWWVWOUMFMQBJI-IBGZPJMESA-N 1 1 392.547 4.055 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)[C@H](C(F)(F)F)C1 ZINC000569702658 822956986 /nfs/dbraw/zinc/95/69/86/822956986.db2.gz HVONICAWIYFKLQ-BZUAXINKSA-N 1 1 398.469 4.314 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055400990 822957638 /nfs/dbraw/zinc/95/76/38/822957638.db2.gz OGVLKLKRTKCSKK-STQMWFEESA-N 1 1 393.890 4.293 20 0 GIADMO Cc1csc([C@@H](C)CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000186810105 822959109 /nfs/dbraw/zinc/95/91/09/822959109.db2.gz DRKOWJZCCIMRFG-WMZOPIPTSA-N 1 1 392.613 4.241 20 0 GIADMO CCOc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000175401259 822959744 /nfs/dbraw/zinc/95/97/44/822959744.db2.gz PAQYOLPPVZCYNU-GOSISDBHSA-N 1 1 385.483 4.210 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1coc(-c2ccccc2)n1 ZINC000175400933 822959815 /nfs/dbraw/zinc/95/98/15/822959815.db2.gz POZJWMIGNDYNMM-UHFFFAOYSA-N 1 1 392.503 4.181 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CCSC2(CCOCC2)C1)c1cccc2ccccc21 ZINC000186819105 822960816 /nfs/dbraw/zinc/96/08/16/822960816.db2.gz JRDRYHURKYVLKY-ROUUACIJSA-N 1 1 398.572 4.004 20 0 GIADMO COc1cccc(Oc2ccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)c1 ZINC000175407603 822961402 /nfs/dbraw/zinc/96/14/02/822961402.db2.gz CXDCVVPCANPJMK-WMZOPIPTSA-N 1 1 383.492 4.434 20 0 GIADMO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458173792 822965275 /nfs/dbraw/zinc/96/52/75/822965275.db2.gz BUJCPUGCBIDSLP-CABCVRRESA-N 1 1 391.968 4.217 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000458177861 822965661 /nfs/dbraw/zinc/96/56/61/822965661.db2.gz VYSWDEVXAACOTN-INIZCTEOSA-N 1 1 389.590 4.206 20 0 GIADMO Cc1nc2ccccn2c(=O)c1CC[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000569770142 822966284 /nfs/dbraw/zinc/96/62/84/822966284.db2.gz QLYXUNKHEKXIIY-UHFFFAOYSA-N 1 1 393.506 4.172 20 0 GIADMO CC(C)(C)C(C)(C)NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000458192103 822966945 /nfs/dbraw/zinc/96/69/45/822966945.db2.gz KQDGSWAAFSDLNR-UHFFFAOYSA-N 1 1 398.551 4.430 20 0 GIADMO COc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1SC(F)(F)F ZINC000186847937 822966996 /nfs/dbraw/zinc/96/69/96/822966996.db2.gz KAJBRXPYRMQROH-UHFFFAOYSA-N 1 1 393.496 4.405 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000186860085 822969735 /nfs/dbraw/zinc/96/97/35/822969735.db2.gz HRHSIRPTVDDGEE-JRGCBEDISA-N 1 1 380.536 4.403 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000175457385 822973938 /nfs/dbraw/zinc/97/39/38/822973938.db2.gz OWNIODGDLFLJMQ-UGKGYDQZSA-N 1 1 390.531 4.490 20 0 GIADMO C[C@H]1C[C@H](NC(=O)NCc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000175461817 822974728 /nfs/dbraw/zinc/97/47/28/822974728.db2.gz QDZSFAPPTXODSP-PGRDOPGGSA-N 1 1 388.515 4.087 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]2c2cccc(C)c2C)cn1 ZINC000175462712 822975005 /nfs/dbraw/zinc/97/50/05/822975005.db2.gz MAMBXPKWWFBQAY-OAQYLSRUSA-N 1 1 389.503 4.239 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]2c2cccc(C)c2C)cn1 ZINC000175462696 822975081 /nfs/dbraw/zinc/97/50/81/822975081.db2.gz MAMBXPKWWFBQAY-NRFANRHFSA-N 1 1 389.503 4.239 20 0 GIADMO CCCCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)cc1OC ZINC000569850213 822975655 /nfs/dbraw/zinc/97/56/55/822975655.db2.gz NYTUGUSHGPCPFZ-HSZRJFAPSA-N 1 1 379.504 4.487 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CC(C)(C)c2ccc(C)cc2)cn1 ZINC000175465097 822975668 /nfs/dbraw/zinc/97/56/68/822975668.db2.gz AQNWGTVVASVZGY-UHFFFAOYSA-N 1 1 391.519 4.003 20 0 GIADMO C[C@@H](NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ncc(Br)cc1F ZINC000186906547 822977813 /nfs/dbraw/zinc/97/78/13/822977813.db2.gz XFUXOXQXDFDSHC-BDJLRTHQSA-N 1 1 384.268 4.076 20 0 GIADMO CC1(CO)CC[NH+](Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000186909835 822978265 /nfs/dbraw/zinc/97/82/65/822978265.db2.gz WMERJTXEJKVDBI-UHFFFAOYSA-N 1 1 381.339 4.167 20 0 GIADMO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)Cc1ccc(C)cc1F ZINC000569869232 822978493 /nfs/dbraw/zinc/97/84/93/822978493.db2.gz HEBAAVSVJAFXJS-UHFFFAOYSA-N 1 1 393.871 4.224 20 0 GIADMO CC[C@@H](Oc1ccccc1F)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000175480524 822979053 /nfs/dbraw/zinc/97/90/53/822979053.db2.gz VVRMFKHOFVJPOC-QFBILLFUSA-N 1 1 390.524 4.073 20 0 GIADMO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000458293460 822979524 /nfs/dbraw/zinc/97/95/24/822979524.db2.gz WPHXYURJPPQMQA-IPMKNSEASA-N 1 1 398.522 4.138 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C)cc1OC ZINC000175488741 822981571 /nfs/dbraw/zinc/98/15/71/822981571.db2.gz KOWKLIAMGHKJLD-FQEVSTJZSA-N 1 1 381.520 4.380 20 0 GIADMO Cc1cc(CNC(=O)N(C)Cc2cc3ccccc3o2)cc(N2CCCC2)[nH+]1 ZINC000569895644 822982277 /nfs/dbraw/zinc/98/22/77/822982277.db2.gz NDKYUIFUFIEOGI-UHFFFAOYSA-N 1 1 378.476 4.078 20 0 GIADMO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186932667 822982640 /nfs/dbraw/zinc/98/26/40/822982640.db2.gz SZMOTMYPJRDXHJ-INIZCTEOSA-N 1 1 381.451 4.006 20 0 GIADMO CCN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](C)Cc1ccsc1 ZINC000186934813 822983187 /nfs/dbraw/zinc/98/31/87/822983187.db2.gz LYXUZKZPMZSYRL-UGKGYDQZSA-N 1 1 399.604 4.275 20 0 GIADMO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ncc(Br)cc1F ZINC000186949230 822985132 /nfs/dbraw/zinc/98/51/32/822985132.db2.gz BKTVAABTARYZKW-CQSZACIVSA-N 1 1 380.305 4.156 20 0 GIADMO COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccncc2OCc2ccccc2)c1 ZINC000569949144 822988859 /nfs/dbraw/zinc/98/88/59/822988859.db2.gz WYVMHZCFHDUWFO-OAHLLOKOSA-N 1 1 382.485 4.360 20 0 GIADMO CN(CCc1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000175517722 822989111 /nfs/dbraw/zinc/98/91/11/822989111.db2.gz LTONWAKRGAIDDZ-YLJYHZDGSA-N 1 1 389.540 4.154 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3CC[C@H](C)[C@@H]3c3cccc(F)c3)CC2)[nH+]1 ZINC000175526877 822991024 /nfs/dbraw/zinc/99/10/24/822991024.db2.gz SYFMMTWDYARBAN-KSFYIVLOSA-N 1 1 396.510 4.291 20 0 GIADMO CCc1ccc([C@@H](C)[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000175527103 822991069 /nfs/dbraw/zinc/99/10/69/822991069.db2.gz VJSYKHJPSULNRB-MRXNPFEDSA-N 1 1 379.529 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GIADMO CC(F)(F)c1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000570252009 823019589 /nfs/dbraw/zinc/01/95/89/823019589.db2.gz YWBKBLSOPIFFFO-GOSISDBHSA-N 1 1 385.414 4.422 20 0 GIADMO CC(F)(F)c1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000570252009 823019590 /nfs/dbraw/zinc/01/95/90/823019590.db2.gz YWBKBLSOPIFFFO-GOSISDBHSA-N 1 1 385.414 4.422 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cnc(-c3ccncc3)s2)cc1 ZINC000175690591 823021186 /nfs/dbraw/zinc/02/11/86/823021186.db2.gz KJECCGLQZNDHCT-AWEZNQCLSA-N 1 1 389.484 4.190 20 0 GIADMO CC1(C)CC[C@H](C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)O1 ZINC000187200129 823024077 /nfs/dbraw/zinc/02/40/77/823024077.db2.gz DAERWLVSFJERKL-OAQYLSRUSA-N 1 1 382.504 4.132 20 0 GIADMO CC1(C)CC[C@H](C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)O1 ZINC000187200129 823024081 /nfs/dbraw/zinc/02/40/81/823024081.db2.gz DAERWLVSFJERKL-OAQYLSRUSA-N 1 1 382.504 4.132 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000175704753 823024132 /nfs/dbraw/zinc/02/41/32/823024132.db2.gz RNLUEIJBZGXGGI-RYUDHWBXSA-N 1 1 377.366 4.234 20 0 GIADMO Cc1c(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cnn1CCC(C)C ZINC000570312465 823024655 /nfs/dbraw/zinc/02/46/55/823024655.db2.gz SFEQEVOHYWZXSV-OAQYLSRUSA-N 1 1 394.519 4.092 20 0 GIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000570340987 823027041 /nfs/dbraw/zinc/02/70/41/823027041.db2.gz IOXIIJQQJMHTMF-GOSISDBHSA-N 1 1 395.503 4.196 20 0 GIADMO COc1ccccc1[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccccc1 ZINC000187226000 823027443 /nfs/dbraw/zinc/02/74/43/823027443.db2.gz RMOUYBGSGRHTPI-RUZDIDTESA-N 1 1 386.495 4.483 20 0 GIADMO COc1ccc2nc(C[NH+]3CCC(C(=O)Nc4ccc(F)cc4)CC3)sc2c1 ZINC000187233005 823028420 /nfs/dbraw/zinc/02/84/20/823028420.db2.gz WCSQEWWTVKRUBO-UHFFFAOYSA-N 1 1 399.491 4.295 20 0 GIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2c(Cl)ccc(Cl)c2Cl)C[C@H](C)O1 ZINC000175731724 823028455 /nfs/dbraw/zinc/02/84/55/823028455.db2.gz VQJNTYZBMXMBKM-QWRGUYRKSA-N 1 1 393.742 4.264 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCC[N@H+](Cc3nnc(C4CC4)o3)C2)n1 ZINC000570358908 823028835 /nfs/dbraw/zinc/02/88/35/823028835.db2.gz XNHBDYYRFRUFCR-HNNXBMFYSA-N 1 1 396.516 4.459 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)n1 ZINC000570358908 823028839 /nfs/dbraw/zinc/02/88/39/823028839.db2.gz XNHBDYYRFRUFCR-HNNXBMFYSA-N 1 1 396.516 4.459 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccc(-c3ncon3)cc2)cc1 ZINC000175735317 823029067 /nfs/dbraw/zinc/02/90/67/823029067.db2.gz ASMFMFAYEJHAHJ-AWEZNQCLSA-N 1 1 388.431 4.113 20 0 GIADMO Cc1nc(-c2cccc(-c3nc([C@@H]4C[N@H+]5CCC[C@@]5(C)CO4)no3)c2)cs1 ZINC000570365873 823029676 /nfs/dbraw/zinc/02/96/76/823029676.db2.gz TWBARTGHWWHWJG-PXNSSMCTSA-N 1 1 382.489 4.094 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)n2)cc1F ZINC000570367450 823029765 /nfs/dbraw/zinc/02/97/65/823029765.db2.gz SKCHPDKZRHPSGW-QFBILLFUSA-N 1 1 392.478 4.382 20 0 GIADMO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1cscc1C(F)(F)F ZINC000570369726 823030182 /nfs/dbraw/zinc/03/01/82/823030182.db2.gz XUTGOVOLHCDCRI-QGZVFWFLSA-N 1 1 384.467 4.013 20 0 GIADMO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1cscc1C(F)(F)F ZINC000570369726 823030185 /nfs/dbraw/zinc/03/01/85/823030185.db2.gz XUTGOVOLHCDCRI-QGZVFWFLSA-N 1 1 384.467 4.013 20 0 GIADMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1Cl ZINC000187251939 823030851 /nfs/dbraw/zinc/03/08/51/823030851.db2.gz YFWUWWKLXUUSHK-LJQANCHMSA-N 1 1 378.831 4.333 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1Br)c1ccccc1Cl ZINC000175755305 823032596 /nfs/dbraw/zinc/03/25/96/823032596.db2.gz BLIIREOLTLZQDN-OAHLLOKOSA-N 1 1 399.691 4.274 20 0 GIADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000458374488 823033843 /nfs/dbraw/zinc/03/38/43/823033843.db2.gz JMNVGXFXUPUKGP-QUCCMNQESA-N 1 1 397.567 4.041 20 0 GIADMO Cc1cccc([C@@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccn2)c1 ZINC000570408777 823034108 /nfs/dbraw/zinc/03/41/08/823034108.db2.gz JGUYUHMVMOBBBQ-ISKFKSNPSA-N 1 1 385.511 4.118 20 0 GIADMO COCCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000570414034 823034732 /nfs/dbraw/zinc/03/47/32/823034732.db2.gz MNKDNLHJXYSJEY-IRLDBZIGSA-N 1 1 389.923 4.106 20 0 GIADMO CCSCC[C@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175768524 823035555 /nfs/dbraw/zinc/03/55/55/823035555.db2.gz LIVRYJJVHQYTHB-INIZCTEOSA-N 1 1 381.611 4.231 20 0 GIADMO CCSCC[C@@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175768506 823035584 /nfs/dbraw/zinc/03/55/84/823035584.db2.gz LIVRYJJVHQYTHB-MRXNPFEDSA-N 1 1 381.611 4.231 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cc2n(n1)CCC2 ZINC000570421543 823035718 /nfs/dbraw/zinc/03/57/18/823035718.db2.gz IJVVFAQBWYHFLK-HNNXBMFYSA-N 1 1 378.451 4.072 20 0 GIADMO CC(C)Cn1c(CC2CCCC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000570423427 823036034 /nfs/dbraw/zinc/03/60/34/823036034.db2.gz NWMZQVJOJPGYHI-PZJWPPBQSA-N 1 1 385.600 4.120 20 0 GIADMO CC(C)c1noc([C@H](C)[NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)n1 ZINC000570426017 823036459 /nfs/dbraw/zinc/03/64/59/823036459.db2.gz PFECXNNAYMVOTJ-JSGCOSHPSA-N 1 1 387.434 4.000 20 0 GIADMO CC(C)c1noc([C@H](C)[NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)n1 ZINC000570426013 823036480 /nfs/dbraw/zinc/03/64/80/823036480.db2.gz PFECXNNAYMVOTJ-GXTWGEPZSA-N 1 1 387.434 4.000 20 0 GIADMO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000458404225 823037113 /nfs/dbraw/zinc/03/71/13/823037113.db2.gz STTPRFPNBBBVIB-DEICHXMPSA-N 1 1 383.458 4.138 20 0 GIADMO CSc1ccc(CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000175780069 823038452 /nfs/dbraw/zinc/03/84/52/823038452.db2.gz FKCXBKQWSSIOKN-HNNXBMFYSA-N 1 1 380.517 4.463 20 0 GIADMO CSCC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000458431397 823039572 /nfs/dbraw/zinc/03/95/72/823039572.db2.gz OIMICWCAGQSPCP-OLECLDRESA-N 1 1 395.638 4.352 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]3C)CC2)[nH+]c1 ZINC000458434824 823039930 /nfs/dbraw/zinc/03/99/30/823039930.db2.gz RXMADZMOVGNVDA-ARFHVFGLSA-N 1 1 398.473 4.120 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@H]2c2ccncc2)[C@H]1c1cccs1 ZINC000458436834 823040329 /nfs/dbraw/zinc/04/03/29/823040329.db2.gz RNNKXLOYFGGVKN-YZGWKJHDSA-N 1 1 398.576 4.319 20 0 GIADMO CN(Cc1c(F)cccc1F)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000458446021 823041317 /nfs/dbraw/zinc/04/13/17/823041317.db2.gz ZGOSRZHZPDDMCL-KUHUBIRLSA-N 1 1 393.503 4.251 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000175798237 823042859 /nfs/dbraw/zinc/04/28/59/823042859.db2.gz AKUQPSCFBAFFDC-CQSZACIVSA-N 1 1 376.435 4.221 20 0 GIADMO Cc1csc([C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)C2CC2)n1 ZINC000458461425 823043492 /nfs/dbraw/zinc/04/34/92/823043492.db2.gz PGPUFACPOXXIQA-JXFKEZNVSA-N 1 1 398.576 4.066 20 0 GIADMO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncccc1O ZINC000570484741 823044474 /nfs/dbraw/zinc/04/44/74/823044474.db2.gz NLDZTVMUMKQMGY-ZDUSSCGKSA-N 1 1 381.398 4.045 20 0 GIADMO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncccc1O ZINC000570484741 823044476 /nfs/dbraw/zinc/04/44/76/823044476.db2.gz NLDZTVMUMKQMGY-ZDUSSCGKSA-N 1 1 381.398 4.045 20 0 GIADMO CC1CCC([N@@H+](Cc2ccc3c(c2)OCO3)Cc2cccc(C(N)=O)c2)CC1 ZINC000060562361 823542495 /nfs/dbraw/zinc/54/24/95/823542495.db2.gz DCFSLPRQDCBNRU-UHFFFAOYSA-N 1 1 380.488 4.095 20 0 GIADMO Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190165621 823545090 /nfs/dbraw/zinc/54/50/90/823545090.db2.gz URJTWYHBIRVPQT-INIZCTEOSA-N 1 1 393.597 4.195 20 0 GIADMO Fc1ccc(-c2nc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)cs2)cc1 ZINC000123848702 823545470 /nfs/dbraw/zinc/54/54/70/823545470.db2.gz YEFKPTGLAMOWHH-MSOLQXFVSA-N 1 1 378.538 4.436 20 0 GIADMO Fc1ccc(-c2nc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)cs2)cc1 ZINC000123848702 823545471 /nfs/dbraw/zinc/54/54/71/823545471.db2.gz YEFKPTGLAMOWHH-MSOLQXFVSA-N 1 1 378.538 4.436 20 0 GIADMO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)cn1 ZINC000177915535 823545829 /nfs/dbraw/zinc/54/58/29/823545829.db2.gz LOXDCEGJGFDPNV-QWHCGFSZSA-N 1 1 394.313 4.410 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123864132 823547280 /nfs/dbraw/zinc/54/72/80/823547280.db2.gz LFIPMUXEZRSGHW-UGSOOPFHSA-N 1 1 382.813 4.180 20 0 GIADMO Cc1cc(N[C@H](CCO)C2CCOCC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000460949113 823548836 /nfs/dbraw/zinc/54/88/36/823548836.db2.gz XYTCPMQOHMXUSD-OAHLLOKOSA-N 1 1 384.398 4.031 20 0 GIADMO C[N@@H+]1CC[C@H](CNC(=O)c2csc(C3CC3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123908293 823550799 /nfs/dbraw/zinc/55/07/99/823550799.db2.gz QSVVCSHAHWACCP-DYVFJYSZSA-N 1 1 393.915 4.236 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2csc(C3CC3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123908293 823550802 /nfs/dbraw/zinc/55/08/02/823550802.db2.gz QSVVCSHAHWACCP-DYVFJYSZSA-N 1 1 393.915 4.236 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460963668 823551780 /nfs/dbraw/zinc/55/17/80/823551780.db2.gz LTOWVSCNTVUPCU-DLBZAZTESA-N 1 1 395.355 4.333 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460963668 823551785 /nfs/dbraw/zinc/55/17/85/823551785.db2.gz LTOWVSCNTVUPCU-DLBZAZTESA-N 1 1 395.355 4.333 20 0 GIADMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCc1cncs1)CC2 ZINC000411152833 823552193 /nfs/dbraw/zinc/55/21/93/823552193.db2.gz HEOVMHJETNHTOM-HXUWFJFHSA-N 1 1 386.542 4.412 20 0 GIADMO Cc1ccc2ncc(C[N@@H+]3CCCN(C(=O)c4cccc(F)c4)CC3)cc2c1 ZINC000411164876 823553379 /nfs/dbraw/zinc/55/33/79/823553379.db2.gz RAIRAAXSPPCIOA-UHFFFAOYSA-N 1 1 377.463 4.030 20 0 GIADMO Cc1ccc2ncc(C[N@H+]3CCCN(C(=O)c4cccc(F)c4)CC3)cc2c1 ZINC000411164876 823553381 /nfs/dbraw/zinc/55/33/81/823553381.db2.gz RAIRAAXSPPCIOA-UHFFFAOYSA-N 1 1 377.463 4.030 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000190232517 823553592 /nfs/dbraw/zinc/55/35/92/823553592.db2.gz STVHSOOSFPRISI-HSZRJFAPSA-N 1 1 385.552 4.298 20 0 GIADMO CSc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000123947306 823554137 /nfs/dbraw/zinc/55/41/37/823554137.db2.gz WFGKOVVVFHUTFA-PXAZEXFGSA-N 1 1 382.888 4.217 20 0 GIADMO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000123947306 823554140 /nfs/dbraw/zinc/55/41/40/823554140.db2.gz WFGKOVVVFHUTFA-PXAZEXFGSA-N 1 1 382.888 4.217 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C(F)(F)F)c1 ZINC000123964837 823556187 /nfs/dbraw/zinc/55/61/87/823556187.db2.gz RTOLOYPCFWIVRB-RDTXWAMCSA-N 1 1 399.457 4.441 20 0 GIADMO C[N@H+](Cc1ccc(Br)c(Br)c1)CC1CCOCC1 ZINC000123966526 823556335 /nfs/dbraw/zinc/55/63/35/823556335.db2.gz LLDCQUBRHNVYIS-UHFFFAOYSA-N 1 1 377.120 4.070 20 0 GIADMO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc(F)c(F)c1 ZINC000460989585 823556374 /nfs/dbraw/zinc/55/63/74/823556374.db2.gz XPGRNBGDRIUKSL-CYBMUJFWSA-N 1 1 394.412 4.127 20 0 GIADMO O=C(c1ccccc1Sc1ccccc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000461000465 823557472 /nfs/dbraw/zinc/55/74/72/823557472.db2.gz LHAWTLWEZRTHHL-IBGZPJMESA-N 1 1 396.556 4.022 20 0 GIADMO Ic1ccccc1[C@H]1CCC[N@H+]1CCc1cncs1 ZINC000411273011 823561429 /nfs/dbraw/zinc/56/14/29/823561429.db2.gz BRPNJTFQSHOFIQ-OAHLLOKOSA-N 1 1 384.286 4.127 20 0 GIADMO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000124043514 823562584 /nfs/dbraw/zinc/56/25/84/823562584.db2.gz RJCVCLSLRYFJIT-UHFFFAOYSA-N 1 1 382.479 4.226 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccc2c(c1)OCCO2 ZINC000190322257 823562640 /nfs/dbraw/zinc/56/26/40/823562640.db2.gz MEFPLHDFVCNZMQ-GOSISDBHSA-N 1 1 385.414 4.163 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1cccc(N2CCCC2=O)c1 ZINC000190323036 823562646 /nfs/dbraw/zinc/56/26/46/823562646.db2.gz NIZZMLUOOWLPSZ-HNNXBMFYSA-N 1 1 396.441 4.128 20 0 GIADMO CC[C@@H](C(=O)N[C@H]1c2ccccc2CC12CCOCC2)[N@@H+](C)Cc1ccccc1 ZINC000461033831 823562749 /nfs/dbraw/zinc/56/27/49/823562749.db2.gz MYMJAKCDZSXYFH-GOTSBHOMSA-N 1 1 392.543 4.107 20 0 GIADMO CCSc1cc(Cl)ccc1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000461035076 823562891 /nfs/dbraw/zinc/56/28/91/823562891.db2.gz RCDKHEMUEJZTJA-UHFFFAOYSA-N 1 1 375.925 4.118 20 0 GIADMO FC(F)(F)c1ccc([C@@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)CCO2)cc1 ZINC000190331215 823563636 /nfs/dbraw/zinc/56/36/36/823563636.db2.gz NITROKLWNSBKDO-SFHVURJKSA-N 1 1 385.426 4.012 20 0 GIADMO Cc1ccc2ncc(C[N@H+]3CCCN(C(=O)CCc4ccccc4)CC3)cc2c1 ZINC000411304515 823563806 /nfs/dbraw/zinc/56/38/06/823563806.db2.gz BZHWUJUSUIYITB-UHFFFAOYSA-N 1 1 387.527 4.210 20 0 GIADMO COc1ccc2c(c1)[C@@H]([N@H+](Cc1ccccc1)Cc1ccnc(N)c1)CCO2 ZINC000411315988 823563979 /nfs/dbraw/zinc/56/39/79/823563979.db2.gz VOCBDVWCNQUTEG-NRFANRHFSA-N 1 1 375.472 4.029 20 0 GIADMO COc1ccc2c(c1)[C@@H]([N@@H+](Cc1ccccc1)Cc1ccnc(N)c1)CCO2 ZINC000411315988 823563980 /nfs/dbraw/zinc/56/39/80/823563980.db2.gz VOCBDVWCNQUTEG-NRFANRHFSA-N 1 1 375.472 4.029 20 0 GIADMO CCN1CC[C@H]([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311870 823564059 /nfs/dbraw/zinc/56/40/59/823564059.db2.gz YHBHEYKNFNNOFA-LEDOBFOHSA-N 1 1 399.604 4.148 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311870 823564062 /nfs/dbraw/zinc/56/40/62/823564062.db2.gz YHBHEYKNFNNOFA-LEDOBFOHSA-N 1 1 399.604 4.148 20 0 GIADMO C[C@H](c1cccs1)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000124058900 823564176 /nfs/dbraw/zinc/56/41/76/823564176.db2.gz SLISIDDILBHFIR-CQSZACIVSA-N 1 1 393.503 4.393 20 0 GIADMO C[C@@H]1C[C@@H](N(C)Cc2c(Cl)nc(Cl)n2C)CC[N@H+]1Cc1ccccc1 ZINC000124062177 823564254 /nfs/dbraw/zinc/56/42/54/823564254.db2.gz BPLDFSBGJYBOOR-ZBFHGGJFSA-N 1 1 381.351 4.212 20 0 GIADMO O=C(NCc1cc2ccccc2o1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000124065098 823564571 /nfs/dbraw/zinc/56/45/71/823564571.db2.gz LBXSSSLNNBDLFG-UHFFFAOYSA-N 1 1 399.441 4.175 20 0 GIADMO CCc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000124069007 823564789 /nfs/dbraw/zinc/56/47/89/823564789.db2.gz CUGULOZNOJPDHC-UHFFFAOYSA-N 1 1 393.503 4.053 20 0 GIADMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000060889834 823564943 /nfs/dbraw/zinc/56/49/43/823564943.db2.gz ZWJAUUUGAOBEHI-OALUTQOASA-N 1 1 386.536 4.022 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC[N@H+]1C ZINC000124080943 823565847 /nfs/dbraw/zinc/56/58/47/823565847.db2.gz HEXOAQVVAGJZTD-WCQYABFASA-N 1 1 383.970 4.009 20 0 GIADMO CC(=O)N1CC[N@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)[C@@H](C)C1 ZINC000411350057 823565894 /nfs/dbraw/zinc/56/58/94/823565894.db2.gz RHOGAWQECHJPDY-LBPRGKRZSA-N 1 1 397.466 4.190 20 0 GIADMO CC(=O)N1CC[N@@H+](Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)[C@@H](C)C1 ZINC000411350057 823565896 /nfs/dbraw/zinc/56/58/96/823565896.db2.gz RHOGAWQECHJPDY-LBPRGKRZSA-N 1 1 397.466 4.190 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC[N@H+]1C ZINC000124081188 823565975 /nfs/dbraw/zinc/56/59/75/823565975.db2.gz HEXOAQVVAGJZTD-YPMHNXCESA-N 1 1 383.970 4.009 20 0 GIADMO CCOCC[N@@H+]1CCN(C(=O)c2ccccc2Sc2ccccc2)C[C@@H]1C ZINC000461051239 823566104 /nfs/dbraw/zinc/56/61/04/823566104.db2.gz KWSQLERVJHZKAY-SFHVURJKSA-N 1 1 384.545 4.021 20 0 GIADMO CCOCC[N@H+]1CCN(C(=O)c2ccccc2Sc2ccccc2)C[C@@H]1C ZINC000461051239 823566106 /nfs/dbraw/zinc/56/61/06/823566106.db2.gz KWSQLERVJHZKAY-SFHVURJKSA-N 1 1 384.545 4.021 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](c1ccccc1)C1CCCC1)[nH]c2=O ZINC000411365266 823566657 /nfs/dbraw/zinc/56/66/57/823566657.db2.gz CDPQLFZGWRNYNR-NRFANRHFSA-N 1 1 391.471 4.143 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](c1ccccc1)C1CCCC1)[nH]c2=O ZINC000411365267 823566687 /nfs/dbraw/zinc/56/66/87/823566687.db2.gz CDPQLFZGWRNYNR-OAQYLSRUSA-N 1 1 391.471 4.143 20 0 GIADMO COc1ccc([C@@H](C)N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000124093006 823567010 /nfs/dbraw/zinc/56/70/10/823567010.db2.gz DGCKFNQBNXEVHR-GOSISDBHSA-N 1 1 383.536 4.438 20 0 GIADMO CCN1CC[C@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382757 823568147 /nfs/dbraw/zinc/56/81/47/823568147.db2.gz FSJITHKBVMZYSA-GREBRCKQSA-N 1 1 399.604 4.006 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382757 823568148 /nfs/dbraw/zinc/56/81/48/823568148.db2.gz FSJITHKBVMZYSA-GREBRCKQSA-N 1 1 399.604 4.006 20 0 GIADMO O=C1CC[C@H]2C[N@H+](Cc3cccc(Br)c3Cl)CC[C@@H]2N1C1CC1 ZINC000411397379 823570001 /nfs/dbraw/zinc/57/00/01/823570001.db2.gz LWTVUZJZPFZYLY-LRDDRELGSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@H]2C[N@@H+](Cc3cccc(Br)c3Cl)CC[C@@H]2N1C1CC1 ZINC000411397379 823570005 /nfs/dbraw/zinc/57/00/05/823570005.db2.gz LWTVUZJZPFZYLY-LRDDRELGSA-N 1 1 397.744 4.078 20 0 GIADMO CNC(=O)CCC[N@@H+](C)Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000411398081 823570163 /nfs/dbraw/zinc/57/01/63/823570163.db2.gz AOSZIJUEQVRBSK-UHFFFAOYSA-N 1 1 385.455 4.095 20 0 GIADMO c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124130305 823570389 /nfs/dbraw/zinc/57/03/89/823570389.db2.gz VHKZLWFIMCBUCY-KRWDZBQOSA-N 1 1 385.581 4.498 20 0 GIADMO COC(=O)c1cc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cs1 ZINC000411399799 823570427 /nfs/dbraw/zinc/57/04/27/823570427.db2.gz MISUPFRMEDJYBG-NSHDSACASA-N 1 1 390.452 4.390 20 0 GIADMO CC(C)[N@H+](CCc1nccs1)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411405588 823570802 /nfs/dbraw/zinc/57/08/02/823570802.db2.gz ZUBJDZKJXBQWHE-UHFFFAOYSA-N 1 1 392.575 4.220 20 0 GIADMO CC(C)[N@@H+](CCc1nccs1)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000411405588 823570803 /nfs/dbraw/zinc/57/08/03/823570803.db2.gz ZUBJDZKJXBQWHE-UHFFFAOYSA-N 1 1 392.575 4.220 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000411410807 823571290 /nfs/dbraw/zinc/57/12/90/823571290.db2.gz TVKCCHVIVOHKRN-UHFFFAOYSA-N 1 1 378.423 4.419 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000411410807 823571293 /nfs/dbraw/zinc/57/12/93/823571293.db2.gz TVKCCHVIVOHKRN-UHFFFAOYSA-N 1 1 378.423 4.419 20 0 GIADMO c1cncc(-c2cccc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2)c1 ZINC000124143368 823571435 /nfs/dbraw/zinc/57/14/35/823571435.db2.gz ARNFSJVQBKFQNJ-JOCHJYFZSA-N 1 1 387.531 4.446 20 0 GIADMO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000124143904 823571571 /nfs/dbraw/zinc/57/15/71/823571571.db2.gz HMTLLFYHXSKVEC-QAPCUYQASA-N 1 1 388.943 4.204 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000060993696 823571697 /nfs/dbraw/zinc/57/16/97/823571697.db2.gz RCDBVXSVKSJAKM-LJQANCHMSA-N 1 1 395.459 4.100 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000060993696 823571699 /nfs/dbraw/zinc/57/16/99/823571699.db2.gz RCDBVXSVKSJAKM-LJQANCHMSA-N 1 1 395.459 4.100 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1ccncc1)Nc1ccc(Br)cc1F ZINC000411415395 823571704 /nfs/dbraw/zinc/57/17/04/823571704.db2.gz JQQDUJPHNXUNEV-KRWDZBQOSA-N 1 1 392.272 4.149 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4cccc(C)c4)CC3)o2)cc1 ZINC000060994413 823571750 /nfs/dbraw/zinc/57/17/50/823571750.db2.gz FHAQLFGNCOPRRI-LJQANCHMSA-N 1 1 376.504 4.232 20 0 GIADMO C[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411417956 823571913 /nfs/dbraw/zinc/57/19/13/823571913.db2.gz JFZBCRDQBUGIHN-JTSKRJEESA-N 1 1 379.529 4.432 20 0 GIADMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124151609 823572353 /nfs/dbraw/zinc/57/23/53/823572353.db2.gz LGOATUNIUDLPNL-LJQANCHMSA-N 1 1 390.535 4.083 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000461081450 823572512 /nfs/dbraw/zinc/57/25/12/823572512.db2.gz LWNQKNCMNPKAHB-GGAORHGYSA-N 1 1 380.532 4.360 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411427859 823573025 /nfs/dbraw/zinc/57/30/25/823573025.db2.gz RGSXVUNIIBGMKG-OAHLLOKOSA-N 1 1 381.307 4.499 20 0 GIADMO Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1C ZINC000411429650 823573220 /nfs/dbraw/zinc/57/32/20/823573220.db2.gz ROWHZBKCAOVJPW-UHFFFAOYSA-N 1 1 399.922 4.171 20 0 GIADMO C[C@H](c1cccnc1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411431067 823573316 /nfs/dbraw/zinc/57/33/16/823573316.db2.gz ZEJCZOZRKUDGGW-UONOGXRCSA-N 1 1 381.549 4.029 20 0 GIADMO COc1cc(C[NH2+]Cc2nc3ccccc3n2C)ccc1OCc1ccccc1 ZINC000061030036 823574288 /nfs/dbraw/zinc/57/42/88/823574288.db2.gz RAJGMHJZKWMTQK-UHFFFAOYSA-N 1 1 387.483 4.451 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1C ZINC000411449378 823575696 /nfs/dbraw/zinc/57/56/96/823575696.db2.gz SBNPPQDMGUFDPU-WCQYABFASA-N 1 1 378.419 4.358 20 0 GIADMO FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124190627 823576015 /nfs/dbraw/zinc/57/60/15/823576015.db2.gz WRLDASDPXDDYBR-INIZCTEOSA-N 1 1 394.441 4.283 20 0 GIADMO Cc1ccc([C@H](CC(=O)OC(C)C)[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000411456266 823576856 /nfs/dbraw/zinc/57/68/56/823576856.db2.gz JQZLCNKVLXHNHA-SFHVURJKSA-N 1 1 391.309 4.325 20 0 GIADMO Cc1c2ccccc2oc1[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000411458592 823577065 /nfs/dbraw/zinc/57/70/65/823577065.db2.gz JQUCRHGVHJYNOE-QFIPXVFZSA-N 1 1 385.552 4.017 20 0 GIADMO C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000411459818 823577243 /nfs/dbraw/zinc/57/72/43/823577243.db2.gz ZJRCTSCLAFUQLL-LBPRGKRZSA-N 1 1 396.878 4.188 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000461101097 823577495 /nfs/dbraw/zinc/57/74/95/823577495.db2.gz CEPQLFUXXSASQO-UTKZUKDTSA-N 1 1 385.939 4.352 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC000124228022 823579277 /nfs/dbraw/zinc/57/92/77/823579277.db2.gz GUVMVBLNLDDAEG-QGZVFWFLSA-N 1 1 399.560 4.098 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000124231006 823579479 /nfs/dbraw/zinc/57/94/79/823579479.db2.gz SQQVTIBJIVXPGU-QGZVFWFLSA-N 1 1 399.560 4.098 20 0 GIADMO CC[C@@]1(C)Oc2ccc(NC(=O)NC3CCN(c4ccc(C)c[nH+]4)CC3)cc2O1 ZINC000190478875 823579608 /nfs/dbraw/zinc/57/96/08/823579608.db2.gz FWFKIWXNDYJBJH-QFIPXVFZSA-N 1 1 396.491 4.078 20 0 GIADMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000190482069 823579788 /nfs/dbraw/zinc/57/97/88/823579788.db2.gz HZLKHXIPWNVJHQ-OAHLLOKOSA-N 1 1 381.476 4.034 20 0 GIADMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000190492880 823580695 /nfs/dbraw/zinc/58/06/95/823580695.db2.gz RUCBQHITEJKGTD-OAHLLOKOSA-N 1 1 381.476 4.034 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2OCC(=O)N2CCCC2)c1 ZINC000124247108 823580791 /nfs/dbraw/zinc/58/07/91/823580791.db2.gz KUWQOLVBNSXPAY-QFIPXVFZSA-N 1 1 394.515 4.034 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2Cc2c(C)nn(C)c2OCC(F)(F)F)c1 ZINC000124258321 823581578 /nfs/dbraw/zinc/58/15/78/823581578.db2.gz DQBYTIVJEFNDJE-QGZVFWFLSA-N 1 1 383.414 4.015 20 0 GIADMO CCc1cnccc1[C@@H](C)[NH2+]Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000411503833 823582060 /nfs/dbraw/zinc/58/20/60/823582060.db2.gz LGGQKGLWDHNMDL-GFCCVEGCSA-N 1 1 380.473 4.465 20 0 GIADMO C[C@H](NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514756 823583263 /nfs/dbraw/zinc/58/32/63/823583263.db2.gz GRIDNLJFPSAIIK-RDJZCZTQSA-N 1 1 388.943 4.175 20 0 GIADMO C[C@H](NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514756 823583265 /nfs/dbraw/zinc/58/32/65/823583265.db2.gz GRIDNLJFPSAIIK-RDJZCZTQSA-N 1 1 388.943 4.175 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](CC(C)C)c1cccs1)[nH]c2=O ZINC000411516095 823583462 /nfs/dbraw/zinc/58/34/62/823583462.db2.gz XDRLUKPNNVXLFJ-INIZCTEOSA-N 1 1 385.489 4.061 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411524011 823584510 /nfs/dbraw/zinc/58/45/10/823584510.db2.gz JMWZFRYYXSOCFQ-KSSFIOAISA-N 1 1 388.309 4.256 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3cccc(F)c3)n2)cc1F ZINC000411527289 823584882 /nfs/dbraw/zinc/58/48/82/823584882.db2.gz DKUFETJYDSIPRA-CYBMUJFWSA-N 1 1 386.402 4.003 20 0 GIADMO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1nc(-c2ccc(Br)cc2)no1 ZINC000411535418 823586004 /nfs/dbraw/zinc/58/60/04/823586004.db2.gz QFVHTPDIEZHXEX-BXUZGUMPSA-N 1 1 380.286 4.107 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000411538871 823586311 /nfs/dbraw/zinc/58/63/11/823586311.db2.gz XLVJHNQCMOMWJM-CYBMUJFWSA-N 1 1 390.530 4.274 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)c1C ZINC000411541944 823586721 /nfs/dbraw/zinc/58/67/21/823586721.db2.gz PHFXQUOQWHSGON-RDJZCZTQSA-N 1 1 392.503 4.001 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1cccc(Cl)c1 ZINC000061254494 823587478 /nfs/dbraw/zinc/58/74/78/823587478.db2.gz KOCCTJIREJWASH-UHFFFAOYSA-N 1 1 388.924 4.107 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1cccc(Cl)c1 ZINC000061254494 823587483 /nfs/dbraw/zinc/58/74/83/823587483.db2.gz KOCCTJIREJWASH-UHFFFAOYSA-N 1 1 388.924 4.107 20 0 GIADMO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](Cc2cccc(Cl)c2)C(C)C)c1 ZINC000061255280 823587504 /nfs/dbraw/zinc/58/75/04/823587504.db2.gz KXNNGOJQBFZGGO-FQEVSTJZSA-N 1 1 375.896 4.193 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H](c2ccc(O)cc2)C2CC2)cc1F ZINC000411612509 823590720 /nfs/dbraw/zinc/59/07/20/823590720.db2.gz ILVCFBOGEFYBHX-FQEVSTJZSA-N 1 1 393.462 4.226 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411631581 823592645 /nfs/dbraw/zinc/59/26/45/823592645.db2.gz MXXHLAGWCWAOIN-UHFFFAOYSA-N 1 1 397.350 4.493 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000411662993 823595749 /nfs/dbraw/zinc/59/57/49/823595749.db2.gz OUJFSDFKYPFZRT-MMKMLUHNSA-N 1 1 388.552 4.066 20 0 GIADMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(-c2ncco2)cc1F ZINC000411677442 823596562 /nfs/dbraw/zinc/59/65/62/823596562.db2.gz RAXILCIQVHUPFP-HXOBKFHXSA-N 1 1 396.462 4.023 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000061501149 823600078 /nfs/dbraw/zinc/60/00/78/823600078.db2.gz AGIDADCORAHCQB-UHFFFAOYSA-N 1 1 391.515 4.170 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1ccc(OC)c(O)c1Br ZINC000461215025 823600209 /nfs/dbraw/zinc/60/02/09/823600209.db2.gz UMKWSQIPQGEPDG-UHFFFAOYSA-N 1 1 395.297 4.140 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000411741278 823601416 /nfs/dbraw/zinc/60/14/16/823601416.db2.gz ZKXYGTDTLAJGQM-WBVHZDCISA-N 1 1 386.458 4.000 20 0 GIADMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000461237706 823602435 /nfs/dbraw/zinc/60/24/35/823602435.db2.gz OWOJUVYINXKLOR-HNNXBMFYSA-N 1 1 380.414 4.094 20 0 GIADMO COc1ccc(Br)cc1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000061556849 823603616 /nfs/dbraw/zinc/60/36/16/823603616.db2.gz DUTBBOPSPJSCRB-UHFFFAOYSA-N 1 1 377.326 4.069 20 0 GIADMO O=C(C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)NCc1cccs1 ZINC000124545423 823605248 /nfs/dbraw/zinc/60/52/48/823605248.db2.gz IEBOGHVFUJXUQX-UHFFFAOYSA-N 1 1 377.513 4.091 20 0 GIADMO O=C(C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)NCc1cccs1 ZINC000124545423 823605249 /nfs/dbraw/zinc/60/52/49/823605249.db2.gz IEBOGHVFUJXUQX-UHFFFAOYSA-N 1 1 377.513 4.091 20 0 GIADMO CN(C(=O)c1csc2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124558958 823606394 /nfs/dbraw/zinc/60/63/94/823606394.db2.gz SLTUQCHQALVYAH-SFTDATJTSA-N 1 1 399.604 4.311 20 0 GIADMO C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461259379 823606687 /nfs/dbraw/zinc/60/66/87/823606687.db2.gz BXJSEPQGHNANFN-AZUAARDMSA-N 1 1 395.547 4.177 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000061624125 823606874 /nfs/dbraw/zinc/60/68/74/823606874.db2.gz STXIFNRISWTQLU-UHFFFAOYSA-N 1 1 391.862 4.154 20 0 GIADMO COc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)cc(OC)c1OC ZINC000124574546 823607672 /nfs/dbraw/zinc/60/76/72/823607672.db2.gz AFBACJBKHIEFGA-IBGZPJMESA-N 1 1 398.503 4.187 20 0 GIADMO COc1cc(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(C)cc2)cc(OC)c1OC ZINC000124574546 823607673 /nfs/dbraw/zinc/60/76/73/823607673.db2.gz AFBACJBKHIEFGA-IBGZPJMESA-N 1 1 398.503 4.187 20 0 GIADMO COc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)cc(OC)c1OC ZINC000124574761 823607806 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384.549 4.172 20 0 GIADMO Cc1ccc(Nc2nc(C[N@H+]3CCC[C@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412055351 823624546 /nfs/dbraw/zinc/62/45/46/823624546.db2.gz LBPPLXGHRSMKLM-IBGZPJMESA-N 1 1 384.549 4.172 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000412060443 823624977 /nfs/dbraw/zinc/62/49/77/823624977.db2.gz ZYALASKNSIMHGV-JOCHJYFZSA-N 1 1 396.506 4.382 20 0 GIADMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060590 823624989 /nfs/dbraw/zinc/62/49/89/823624989.db2.gz GGWOMKYKKUGWMN-HOTGVXAUSA-N 1 1 385.508 4.230 20 0 GIADMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060590 823624991 /nfs/dbraw/zinc/62/49/91/823624991.db2.gz GGWOMKYKKUGWMN-HOTGVXAUSA-N 1 1 385.508 4.230 20 0 GIADMO O=C(CCSc1ccc(F)cc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062231358 823625329 /nfs/dbraw/zinc/62/53/29/823625329.db2.gz HUEYDVOBUXARSO-LJQANCHMSA-N 1 1 386.536 4.336 20 0 GIADMO 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SJTQDYWDMGKONA-ISKFKSNPSA-N 1 1 385.511 4.326 20 0 GIADMO CN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464591 823673395 /nfs/dbraw/zinc/67/33/95/823673395.db2.gz NNQYWWGOGDDNKG-KRWDZBQOSA-N 1 1 391.968 4.455 20 0 GIADMO COc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000125402290 823673560 /nfs/dbraw/zinc/67/35/60/823673560.db2.gz XWMWNYOFNDMHKK-AWEZNQCLSA-N 1 1 396.409 4.052 20 0 GIADMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000125402290 823673561 /nfs/dbraw/zinc/67/35/61/823673561.db2.gz XWMWNYOFNDMHKK-AWEZNQCLSA-N 1 1 396.409 4.052 20 0 GIADMO CCCOc1ccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000125403908 823673715 /nfs/dbraw/zinc/67/37/15/823673715.db2.gz ABAORHJZDVXAIF-NRFANRHFSA-N 1 1 396.535 4.389 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000461639113 823673922 /nfs/dbraw/zinc/67/39/22/823673922.db2.gz DHVINZVXVKKJDA-INIZCTEOSA-N 1 1 387.549 4.159 20 0 GIADMO O=c1cc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c2ccc(O)cc2o1 ZINC000191344104 823674327 /nfs/dbraw/zinc/67/43/27/823674327.db2.gz SGCRMDIQYJGAPK-UHFFFAOYSA-N 1 1 386.451 4.139 20 0 GIADMO O=C1O[C@H](C[N@@H+](CCc2ccccc2)Cc2cccnc2)CN1c1ccccc1 ZINC000191344992 823674559 /nfs/dbraw/zinc/67/45/59/823674559.db2.gz YSTZBKXTNXCOLC-HSZRJFAPSA-N 1 1 387.483 4.152 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000063490059 823675769 /nfs/dbraw/zinc/67/57/69/823675769.db2.gz OUOYMKVDQFZHBZ-INIZCTEOSA-N 1 1 389.590 4.204 20 0 GIADMO C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063522191 823677560 /nfs/dbraw/zinc/67/75/60/823677560.db2.gz BILTUKPBRMKRAX-DOMZBBRYSA-N 1 1 389.364 4.416 20 0 GIADMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063522191 823677563 /nfs/dbraw/zinc/67/75/63/823677563.db2.gz BILTUKPBRMKRAX-DOMZBBRYSA-N 1 1 389.364 4.416 20 0 GIADMO CC[N@H+](Cc1ccc(Br)o1)CC1CCN(c2ccccn2)CC1 ZINC000191387139 823679010 /nfs/dbraw/zinc/67/90/10/823679010.db2.gz PWKVCWLOEASIRB-UHFFFAOYSA-N 1 1 378.314 4.176 20 0 GIADMO CCC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000063559258 823679244 /nfs/dbraw/zinc/67/92/44/823679244.db2.gz PQVHLUNOQQPTLP-INIZCTEOSA-N 1 1 393.487 4.334 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cnn1C(C)C ZINC000191404117 823681461 /nfs/dbraw/zinc/68/14/61/823681461.db2.gz WUHIFDGJTZMCRF-JHVJFLLYSA-N 1 1 390.959 4.148 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H](c2ccccc2)O1 ZINC000063587863 823681496 /nfs/dbraw/zinc/68/14/96/823681496.db2.gz WFCHVBIMRNSBJJ-XXBNENTESA-N 1 1 378.516 4.275 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H](c2ccccc2)O1 ZINC000063587863 823681498 /nfs/dbraw/zinc/68/14/98/823681498.db2.gz WFCHVBIMRNSBJJ-XXBNENTESA-N 1 1 378.516 4.275 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)CC1)CC1CC1 ZINC000461687980 823681600 /nfs/dbraw/zinc/68/16/00/823681600.db2.gz XCBGFIFMOVHLGD-VGSWGCGISA-N 1 1 385.552 4.052 20 0 GIADMO COc1ccc([C@H](C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)N2CCCCC2)cc1 ZINC000125518124 823682225 /nfs/dbraw/zinc/68/22/25/823682225.db2.gz SMSJNUYIJGITEK-GOTSBHOMSA-N 1 1 390.531 4.325 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000063626962 823684598 /nfs/dbraw/zinc/68/45/98/823684598.db2.gz DSCNYWUZSIJNEF-AWEZNQCLSA-N 1 1 377.510 4.140 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000063626962 823684600 /nfs/dbraw/zinc/68/46/00/823684600.db2.gz DSCNYWUZSIJNEF-AWEZNQCLSA-N 1 1 377.510 4.140 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000063626415 823684696 /nfs/dbraw/zinc/68/46/96/823684696.db2.gz RGWCYLLQSAPNKA-AWEZNQCLSA-N 1 1 383.330 4.186 20 0 GIADMO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000063652688 823687216 /nfs/dbraw/zinc/68/72/16/823687216.db2.gz WNWOTKLRWYRZNQ-LJQANCHMSA-N 1 1 385.895 4.373 20 0 GIADMO Cc1ccc(CCCCC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000063659287 823687382 /nfs/dbraw/zinc/68/73/82/823687382.db2.gz BLHXWSCGQQLCNU-NRFANRHFSA-N 1 1 394.559 4.245 20 0 GIADMO Cc1ccc(CCCCC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000063659287 823687387 /nfs/dbraw/zinc/68/73/87/823687387.db2.gz BLHXWSCGQQLCNU-NRFANRHFSA-N 1 1 394.559 4.245 20 0 GIADMO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000191468115 823688456 /nfs/dbraw/zinc/68/84/56/823688456.db2.gz ZXMUUFQVFYSNMF-UWVAXJGDSA-N 1 1 381.520 4.461 20 0 GIADMO CC1([C@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)OCCO1 ZINC000191476812 823689169 /nfs/dbraw/zinc/68/91/69/823689169.db2.gz AVNKKVCARSVRRC-JTQLQIEISA-N 1 1 380.735 4.139 20 0 GIADMO CC1([C@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)OCCO1 ZINC000191476812 823689170 /nfs/dbraw/zinc/68/91/70/823689170.db2.gz AVNKKVCARSVRRC-JTQLQIEISA-N 1 1 380.735 4.139 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125612978 823689990 /nfs/dbraw/zinc/68/99/90/823689990.db2.gz HQRMUOSNNHJYIT-OAHLLOKOSA-N 1 1 394.943 4.489 20 0 GIADMO Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c(C)n1C1CCCCC1 ZINC000063707022 823690299 /nfs/dbraw/zinc/69/02/99/823690299.db2.gz KWPOYEQPXMZCDQ-ZWAQGKOVSA-N 1 1 396.579 4.364 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCSc2ccc(Br)cc2)C1 ZINC000063710928 823690506 /nfs/dbraw/zinc/69/05/06/823690506.db2.gz PJEIMWWKRMYYCA-OAHLLOKOSA-N 1 1 399.398 4.168 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)o2)c(C)c1 ZINC000063710932 823690528 /nfs/dbraw/zinc/69/05/28/823690528.db2.gz WJVGCRQREFYERV-LJQANCHMSA-N 1 1 384.520 4.326 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000191492484 823690856 /nfs/dbraw/zinc/69/08/56/823690856.db2.gz BBKVKSIBLRMBFG-GOSISDBHSA-N 1 1 378.520 4.338 20 0 GIADMO Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)c12 ZINC000063723777 823691659 /nfs/dbraw/zinc/69/16/59/823691659.db2.gz PZLNUYGGIWOGNI-UHFFFAOYSA-N 1 1 392.503 4.145 20 0 GIADMO CCN(C(=O)NC[C@@H]1COc2ccccc21)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000461752242 823691846 /nfs/dbraw/zinc/69/18/46/823691846.db2.gz RUZKQBHZLQILRK-TYPHKJRUSA-N 1 1 393.531 4.030 20 0 GIADMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 ZINC000125639539 823692436 /nfs/dbraw/zinc/69/24/36/823692436.db2.gz OPJPHYSFONYILU-KRWDZBQOSA-N 1 1 395.503 4.008 20 0 GIADMO FC(F)Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000063741587 823692989 /nfs/dbraw/zinc/69/29/89/823692989.db2.gz LOUSAGZOURJCGG-NSHDSACASA-N 1 1 386.240 4.153 20 0 GIADMO FC(F)Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000063741587 823692992 /nfs/dbraw/zinc/69/29/92/823692992.db2.gz LOUSAGZOURJCGG-NSHDSACASA-N 1 1 386.240 4.153 20 0 GIADMO CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)c1cc(F)ccc1F ZINC000063751493 823693593 /nfs/dbraw/zinc/69/35/93/823693593.db2.gz ULULOZZMNCLCJK-QGZVFWFLSA-N 1 1 388.227 4.422 20 0 GIADMO CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)c1cc(F)ccc1F ZINC000063751493 823693594 /nfs/dbraw/zinc/69/35/94/823693594.db2.gz ULULOZZMNCLCJK-QGZVFWFLSA-N 1 1 388.227 4.422 20 0 GIADMO Cc1ccc(CCC2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC2)cc1 ZINC000461800699 823697364 /nfs/dbraw/zinc/69/73/64/823697364.db2.gz VALSWUAZMCPZJV-UHFFFAOYSA-N 1 1 381.520 4.064 20 0 GIADMO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000125709603 823698914 /nfs/dbraw/zinc/69/89/14/823698914.db2.gz QCGAPMTVNOSHMM-SFHVURJKSA-N 1 1 398.572 4.459 20 0 GIADMO CC(C)[N@H+]1CCCC[C@@H]1CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000413003547 823699632 /nfs/dbraw/zinc/69/96/32/823699632.db2.gz UVURBQACFSXOTP-QGZVFWFLSA-N 1 1 397.548 4.336 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000063822466 823699759 /nfs/dbraw/zinc/69/97/59/823699759.db2.gz WJANPHUTIBFISU-CQSZACIVSA-N 1 1 392.341 4.172 20 0 GIADMO Cc1nn(C)cc1C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000163300150 823700371 /nfs/dbraw/zinc/70/03/71/823700371.db2.gz SEFXGZBPQOPWJA-GFCCVEGCSA-N 1 1 391.338 4.465 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000163310683 823700853 /nfs/dbraw/zinc/70/08/53/823700853.db2.gz MSFTVRKPDUXKJG-IRLDBZIGSA-N 1 1 398.497 4.439 20 0 GIADMO Cc1c([C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000125732286 823701482 /nfs/dbraw/zinc/70/14/82/823701482.db2.gz GMXUKBBNJONQOF-DOTOQJQBSA-N 1 1 375.948 4.000 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)Nc3cc(C)ccc3C)C2)s1 ZINC000574320383 823702106 /nfs/dbraw/zinc/70/21/06/823702106.db2.gz PDVNSFUQGTZBKA-PMACEKPBSA-N 1 1 399.604 4.454 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)n1 ZINC000191573387 823702670 /nfs/dbraw/zinc/70/26/70/823702670.db2.gz YXFICTMMLTVKCE-ZDUSSCGKSA-N 1 1 385.489 4.402 20 0 GIADMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000574323503 823702806 /nfs/dbraw/zinc/70/28/06/823702806.db2.gz WRBKJLVFFCJNKW-KYNGSXCRSA-N 1 1 382.895 4.486 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000574323503 823702811 /nfs/dbraw/zinc/70/28/11/823702811.db2.gz WRBKJLVFFCJNKW-KYNGSXCRSA-N 1 1 382.895 4.486 20 0 GIADMO Cc1cccc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c2ccccn2)c1 ZINC000125750232 823703912 /nfs/dbraw/zinc/70/39/12/823703912.db2.gz WYPKQOUSZFQFGB-REWPJTCUSA-N 1 1 394.563 4.433 20 0 GIADMO C[C@H]1C[C@@H](CCNC(=O)c2cnccc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000574336670 823704545 /nfs/dbraw/zinc/70/45/45/823704545.db2.gz HVHXIHMZEDHZSM-DOTOQJQBSA-N 1 1 391.437 4.131 20 0 GIADMO CC(C)c1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)s1 ZINC000191585801 823704710 /nfs/dbraw/zinc/70/47/10/823704710.db2.gz DYRCTPVMKJIZBX-INIZCTEOSA-N 1 1 394.581 4.140 20 0 GIADMO CC(C)c1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)s1 ZINC000191585801 823704713 /nfs/dbraw/zinc/70/47/13/823704713.db2.gz DYRCTPVMKJIZBX-INIZCTEOSA-N 1 1 394.581 4.140 20 0 GIADMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[C@@H]1CCCCCC(=O)C1 ZINC000574347309 823706136 /nfs/dbraw/zinc/70/61/36/823706136.db2.gz VIALQXDNJMMSSK-GOSISDBHSA-N 1 1 377.488 4.122 20 0 GIADMO C[C@](Cc1ccccc1)(NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000413127387 823711767 /nfs/dbraw/zinc/71/17/67/823711767.db2.gz VRRBPJCWUPXQNZ-AOHZBQACSA-N 1 1 377.532 4.071 20 0 GIADMO COCc1c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)sc2cccc(F)c21 ZINC000163496793 823715906 /nfs/dbraw/zinc/71/59/06/823715906.db2.gz CIRLPVFTOURSQB-OAHLLOKOSA-N 1 1 392.540 4.285 20 0 GIADMO C[C@@H]1C[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](C)O1 ZINC000413157957 823718206 /nfs/dbraw/zinc/71/82/06/823718206.db2.gz USYYDGOILFAMIR-DBXWQHBBSA-N 1 1 387.568 4.064 20 0 GIADMO Cc1ccc(Br)cc1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000574397942 823719022 /nfs/dbraw/zinc/71/90/22/823719022.db2.gz ZRPPOQUECZHXJE-HNNXBMFYSA-N 1 1 380.248 4.283 20 0 GIADMO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(F)cc3F)CC2)no1 ZINC000191633085 823720184 /nfs/dbraw/zinc/72/01/84/823720184.db2.gz UEILOWIRSJSIOJ-UHFFFAOYSA-N 1 1 385.414 4.403 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCSC2(CCC2)CC1 ZINC000413199758 823726057 /nfs/dbraw/zinc/72/60/57/823726057.db2.gz JJPKSFPMQJGNHC-QGZVFWFLSA-N 1 1 393.622 4.031 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1OC ZINC000191661861 823726062 /nfs/dbraw/zinc/72/60/62/823726062.db2.gz YRWWMYAVTBQULR-INIZCTEOSA-N 1 1 392.293 4.339 20 0 GIADMO CC(C)(C)[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000461867882 823728766 /nfs/dbraw/zinc/72/87/66/823728766.db2.gz SFELTKGJDRKYLI-FYYLOGMGSA-N 1 1 398.522 4.320 20 0 GIADMO CC(C)(C)[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000461867882 823728777 /nfs/dbraw/zinc/72/87/77/823728777.db2.gz SFELTKGJDRKYLI-FYYLOGMGSA-N 1 1 398.522 4.320 20 0 GIADMO Brc1ccccc1-c1nnc(C[NH+]2CCC(c3ccncc3)CC2)o1 ZINC000191671063 823728741 /nfs/dbraw/zinc/72/87/41/823728741.db2.gz GMNOWVDJYHTPBZ-UHFFFAOYSA-N 1 1 399.292 4.274 20 0 GIADMO CN1CC[NH+](Cc2ccc(C(=O)N[C@H](c3ccc(F)cc3)C(C)(C)C)cc2)CC1 ZINC000461867886 823729050 /nfs/dbraw/zinc/72/90/50/823729050.db2.gz SGFDTVIZADFIDQ-JOCHJYFZSA-N 1 1 397.538 4.090 20 0 GIADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191673195 823729404 /nfs/dbraw/zinc/72/94/04/823729404.db2.gz KDAGFOUMMUFKFU-QGZVFWFLSA-N 1 1 377.488 4.227 20 0 GIADMO CC[N@@H+](C[C@H](O)Cn1c2ccccc2c2ccccc21)[C@@H]1CCOC(C)(C)C1 ZINC000574441553 823730649 /nfs/dbraw/zinc/73/06/49/823730649.db2.gz VVAANZACLFCOLQ-MOPGFXCFSA-N 1 1 380.532 4.435 20 0 GIADMO C[C@H](C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413218766 823731008 /nfs/dbraw/zinc/73/10/08/823731008.db2.gz BKWIXKVNNVKVBI-DLTWYDFYSA-N 1 1 380.916 4.098 20 0 GIADMO COCC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CCc1ccccc1 ZINC000574443109 823731683 /nfs/dbraw/zinc/73/16/83/823731683.db2.gz PZRHDQTVTMFEMB-UHFFFAOYSA-N 1 1 385.895 4.124 20 0 GIADMO Cc1cc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)oc1C ZINC000163711869 823740357 /nfs/dbraw/zinc/74/03/57/823740357.db2.gz IVLBUNRDEJFNLP-SFHVURJKSA-N 1 1 394.437 4.423 20 0 GIADMO O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000461895886 823742770 /nfs/dbraw/zinc/74/27/70/823742770.db2.gz VIROPLVQRKLASJ-UHFFFAOYSA-N 1 1 395.434 4.241 20 0 GIADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncc(-c2ccc(Cl)cc2)s1 ZINC000413271914 823742776 /nfs/dbraw/zinc/74/27/76/823742776.db2.gz TXMZUBGTPWMUID-CQSZACIVSA-N 1 1 377.941 4.153 20 0 GIADMO CC(C)c1c(NC(=O)N(C)CC[N@@H+](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000191708459 823743242 /nfs/dbraw/zinc/74/32/42/823743242.db2.gz OGSKJHZLRXSPPX-UHFFFAOYSA-N 1 1 389.931 4.207 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(Cn2cnc3ccccc32)cc1)Cc1ccccc1 ZINC000064092098 823745502 /nfs/dbraw/zinc/74/55/02/823745502.db2.gz RTNWQIJITJRBRM-UHFFFAOYSA-N 1 1 384.483 4.155 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(Cn2cnc3ccccc32)cc1)Cc1ccccc1 ZINC000064092098 823745513 /nfs/dbraw/zinc/74/55/13/823745513.db2.gz RTNWQIJITJRBRM-UHFFFAOYSA-N 1 1 384.483 4.155 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(Cl)c1Br ZINC000191719607 823746663 /nfs/dbraw/zinc/74/66/63/823746663.db2.gz WQYVUTSRGVWEPU-UHFFFAOYSA-N 1 1 385.693 4.209 20 0 GIADMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000574529418 823756122 /nfs/dbraw/zinc/75/61/22/823756122.db2.gz VNELYUQGWYSXPX-GJZGRUSLSA-N 1 1 384.442 4.138 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000574529418 823756123 /nfs/dbraw/zinc/75/61/23/823756123.db2.gz VNELYUQGWYSXPX-GJZGRUSLSA-N 1 1 384.442 4.138 20 0 GIADMO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC(F)(F)F ZINC000413370050 823761363 /nfs/dbraw/zinc/76/13/63/823761363.db2.gz VKVLCAXTMFKZQU-BQFCYCMXSA-N 1 1 385.474 4.317 20 0 GIADMO C[C@@H](Oc1ccccc1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C(F)(F)F ZINC000574551619 823762442 /nfs/dbraw/zinc/76/24/42/823762442.db2.gz HXKILLGAKWCIER-HUUCEWRRSA-N 1 1 387.446 4.354 20 0 GIADMO Cc1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574559211 823766196 /nfs/dbraw/zinc/76/61/96/823766196.db2.gz FZHNLEWQQIQJDF-SFHVURJKSA-N 1 1 388.302 4.402 20 0 GIADMO Cc1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000574559211 823766206 /nfs/dbraw/zinc/76/62/06/823766206.db2.gz FZHNLEWQQIQJDF-SFHVURJKSA-N 1 1 388.302 4.402 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000191783135 823766946 /nfs/dbraw/zinc/76/69/46/823766946.db2.gz UGJCMEWBBWSTEE-CABCVRRESA-N 1 1 397.504 4.042 20 0 GIADMO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000126019623 823767896 /nfs/dbraw/zinc/76/78/96/823767896.db2.gz COOKVMZJOHETKV-QGZVFWFLSA-N 1 1 383.492 4.391 20 0 GIADMO Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000126022053 823768393 /nfs/dbraw/zinc/76/83/93/823768393.db2.gz HLZXJHWJOPYJAC-HNNXBMFYSA-N 1 1 391.519 4.139 20 0 GIADMO C[C@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413399565 823768852 /nfs/dbraw/zinc/76/88/52/823768852.db2.gz HKWCWENGNIRVLG-LZLYRXPVSA-N 1 1 385.474 4.175 20 0 GIADMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574570729 823769595 /nfs/dbraw/zinc/76/95/95/823769595.db2.gz NEAGYQSGUBYGAP-RDBSUJKOSA-N 1 1 377.510 4.159 20 0 GIADMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574570729 823769596 /nfs/dbraw/zinc/76/95/96/823769596.db2.gz NEAGYQSGUBYGAP-RDBSUJKOSA-N 1 1 377.510 4.159 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(-c3ccccc3)ns2)cc1F ZINC000461959045 823771957 /nfs/dbraw/zinc/77/19/57/823771957.db2.gz OREHBUJLBQPSFA-UHFFFAOYSA-N 1 1 392.459 4.373 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413417760 823773075 /nfs/dbraw/zinc/77/30/75/823773075.db2.gz QERQNVFTFPCZTM-MOIQIXESSA-N 1 1 385.886 4.052 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1 ZINC000064229810 823775981 /nfs/dbraw/zinc/77/59/81/823775981.db2.gz SYQDPPLKVCQTSL-QFIPXVFZSA-N 1 1 381.520 4.194 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(OCc3ccccc3)CC2)c1 ZINC000064229932 823776518 /nfs/dbraw/zinc/77/65/18/823776518.db2.gz KQMJYCRUFSYZPN-UHFFFAOYSA-N 1 1 395.547 4.029 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3(c4cccnc4)CCCC3)c2)C[C@H](C)O1 ZINC000574600727 823777118 /nfs/dbraw/zinc/77/71/18/823777118.db2.gz SLEVWGBCOVMCIT-KDURUIRLSA-N 1 1 393.531 4.141 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3(c4cccnc4)CCCC3)c2)C[C@H](C)O1 ZINC000574600727 823777122 /nfs/dbraw/zinc/77/71/22/823777122.db2.gz SLEVWGBCOVMCIT-KDURUIRLSA-N 1 1 393.531 4.141 20 0 GIADMO CC(C)c1nnc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)s1 ZINC000574602401 823777134 /nfs/dbraw/zinc/77/71/34/823777134.db2.gz MOJXFPASRUHBQI-AWEZNQCLSA-N 1 1 387.484 4.230 20 0 GIADMO CC(C)c1nnc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)s1 ZINC000574602401 823777139 /nfs/dbraw/zinc/77/71/39/823777139.db2.gz MOJXFPASRUHBQI-AWEZNQCLSA-N 1 1 387.484 4.230 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc(C)c1O ZINC000574606714 823778519 /nfs/dbraw/zinc/77/85/19/823778519.db2.gz ODMOYGYMZCPDEM-LJQANCHMSA-N 1 1 378.472 4.150 20 0 GIADMO C[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)Cc1cccc(C(N)=O)c1 ZINC000064247403 823780387 /nfs/dbraw/zinc/78/03/87/823780387.db2.gz QGPKYQHAWXBJHU-UHFFFAOYSA-N 1 1 378.447 4.136 20 0 GIADMO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164170259 823783178 /nfs/dbraw/zinc/78/31/78/823783178.db2.gz DCWJFLQHPNBQGX-LVQVYYBASA-N 1 1 385.474 4.322 20 0 GIADMO CC[C@@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1ccc2c(c1)OCCO2 ZINC000164233060 823787923 /nfs/dbraw/zinc/78/79/23/823787923.db2.gz XBKOHCCIHKSECT-SJORKVTESA-N 1 1 398.532 4.036 20 0 GIADMO C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834047 823790288 /nfs/dbraw/zinc/79/02/88/823790288.db2.gz NKNNWDMYZDAUIT-DENIHFKCSA-N 1 1 375.516 4.177 20 0 GIADMO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834047 823790297 /nfs/dbraw/zinc/79/02/97/823790297.db2.gz NKNNWDMYZDAUIT-DENIHFKCSA-N 1 1 375.516 4.177 20 0 GIADMO CN(Cc1ccccc1)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000064316609 823790324 /nfs/dbraw/zinc/79/03/24/823790324.db2.gz AFZWXYRLAKKZST-FQEVSTJZSA-N 1 1 376.422 4.100 20 0 GIADMO CC[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000164266724 823791493 /nfs/dbraw/zinc/79/14/93/823791493.db2.gz INURURODTLCTNI-HXUWFJFHSA-N 1 1 377.488 4.138 20 0 GIADMO CC[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000164271470 823791581 /nfs/dbraw/zinc/79/15/81/823791581.db2.gz MWVUAERLNNZKSH-HXUWFJFHSA-N 1 1 379.504 4.384 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000164285563 823792593 /nfs/dbraw/zinc/79/25/93/823792593.db2.gz DQTRZQSVIRPAKL-AZUAARDMSA-N 1 1 394.515 4.434 20 0 GIADMO CCc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000574666371 823795139 /nfs/dbraw/zinc/79/51/39/823795139.db2.gz DUVSXEURTSFYDD-YLJYHZDGSA-N 1 1 389.499 4.297 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000462014753 823795227 /nfs/dbraw/zinc/79/52/27/823795227.db2.gz MCQDPUGZVMYWDL-AWEZNQCLSA-N 1 1 392.931 4.099 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)c1 ZINC000164319420 823795761 /nfs/dbraw/zinc/79/57/61/823795761.db2.gz JDUUQKYWDVVZTA-SFHVURJKSA-N 1 1 376.504 4.325 20 0 GIADMO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000462019771 823796596 /nfs/dbraw/zinc/79/65/96/823796596.db2.gz ZWZPHXUAKYDGGH-RDPSFJRHSA-N 1 1 392.543 4.105 20 0 GIADMO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000462019771 823796606 /nfs/dbraw/zinc/79/66/06/823796606.db2.gz ZWZPHXUAKYDGGH-RDPSFJRHSA-N 1 1 392.543 4.105 20 0 GIADMO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]c4ccc(Cl)cc34)cc2)CC1 ZINC000191859380 823797807 /nfs/dbraw/zinc/79/78/07/823797807.db2.gz DGNVPYWXYIFGOQ-UHFFFAOYSA-N 1 1 394.906 4.169 20 0 GIADMO Cc1nc(CC2CC2)sc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000191862553 823798691 /nfs/dbraw/zinc/79/86/91/823798691.db2.gz UQMFWYPCMJLHQF-YJBOKZPZSA-N 1 1 389.590 4.278 20 0 GIADMO CC[N@@H+](CC(=O)NCc1ccccc1COC)[C@@H](C)c1cc2ccccc2o1 ZINC000064349402 823798650 /nfs/dbraw/zinc/79/86/50/823798650.db2.gz PAOJBSZWMQGEQV-KRWDZBQOSA-N 1 1 380.488 4.279 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)ncn3-c2cc(C)ccc2C)C1 ZINC000191881320 823802433 /nfs/dbraw/zinc/80/24/33/823802433.db2.gz CHNUAELSDPEIGS-LJQANCHMSA-N 1 1 390.531 4.056 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(OC)c1 ZINC000164442648 823802686 /nfs/dbraw/zinc/80/26/86/823802686.db2.gz HFKDXBUVXJDTQC-CQSZACIVSA-N 1 1 399.466 4.196 20 0 GIADMO CCCCN1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000164442139 823802778 /nfs/dbraw/zinc/80/27/78/823802778.db2.gz HMNCRIGEUVEITC-OAHLLOKOSA-N 1 1 396.373 4.020 20 0 GIADMO Cc1ccc(CCCC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574710753 823805695 /nfs/dbraw/zinc/80/56/95/823805695.db2.gz NZCSCZAUFDBGKC-RUZDIDTESA-N 1 1 376.544 4.442 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)c2cccc(Br)c2)C1 ZINC000462042775 823809133 /nfs/dbraw/zinc/80/91/33/823809133.db2.gz WKRBFDGATMFLQU-PBHICJAKSA-N 1 1 390.325 4.175 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)c2cccc(Br)c2)C1 ZINC000462042776 823809344 /nfs/dbraw/zinc/80/93/44/823809344.db2.gz WKRBFDGATMFLQU-RHSMWYFYSA-N 1 1 390.325 4.175 20 0 GIADMO Cc1cccc(COc2cccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)c2)c1 ZINC000462066851 823818205 /nfs/dbraw/zinc/81/82/05/823818205.db2.gz KKODAVBOVAHMHY-UHFFFAOYSA-N 1 1 391.471 4.410 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cnccc2C(C)(C)C)C1 ZINC000413693630 823819194 /nfs/dbraw/zinc/81/91/94/823819194.db2.gz LQMHVCBZOKFKSL-MOPGFXCFSA-N 1 1 386.584 4.175 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000126243149 823819301 /nfs/dbraw/zinc/81/93/01/823819301.db2.gz BUQBDXQFSCUWCV-JKSUJKDBSA-N 1 1 380.602 4.169 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000064447871 823820460 /nfs/dbraw/zinc/82/04/60/823820460.db2.gz AUJLXCUJUQXFHP-MRXNPFEDSA-N 1 1 380.454 4.485 20 0 GIADMO Cc1cccc([C@H]2CCC[N@H+]2Cn2ccc(=O)c3cccc(Br)c32)n1 ZINC000164821350 823821502 /nfs/dbraw/zinc/82/15/02/823821502.db2.gz XHWAWLBNAUBFBR-GOSISDBHSA-N 1 1 398.304 4.262 20 0 GIADMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000462080310 823822137 /nfs/dbraw/zinc/82/21/37/823822137.db2.gz UMEXQMGULKTLFQ-IBGZPJMESA-N 1 1 385.577 4.168 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000126266819 823824472 /nfs/dbraw/zinc/82/44/72/823824472.db2.gz YACPYQSJRQLWFK-KRWDZBQOSA-N 1 1 384.524 4.077 20 0 GIADMO CC[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000413723987 823826115 /nfs/dbraw/zinc/82/61/15/823826115.db2.gz CBOONTUDMGTZFY-YTQUADARSA-N 1 1 397.485 4.129 20 0 GIADMO Cc1noc([C@H]2CCC[N@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)n1 ZINC000164944085 823826269 /nfs/dbraw/zinc/82/62/69/823826269.db2.gz HUAGHSPYEZTAGZ-AWEZNQCLSA-N 1 1 392.381 4.431 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)n1 ZINC000164944085 823826278 /nfs/dbraw/zinc/82/62/78/823826278.db2.gz HUAGHSPYEZTAGZ-AWEZNQCLSA-N 1 1 392.381 4.431 20 0 GIADMO c1cc(-c2ccc(C[N@H+]3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)o2)n[nH]1 ZINC000574797194 823829992 /nfs/dbraw/zinc/82/99/92/823829992.db2.gz SVSXDZTXFINFFC-MRXNPFEDSA-N 1 1 380.496 4.215 20 0 GIADMO c1cc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)o2)n[nH]1 ZINC000574797194 823829998 /nfs/dbraw/zinc/82/99/98/823829998.db2.gz SVSXDZTXFINFFC-MRXNPFEDSA-N 1 1 380.496 4.215 20 0 GIADMO c1cc(-c2ccc(C[N@H+]3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)o2)n[nH]1 ZINC000574797194 823830006 /nfs/dbraw/zinc/83/00/06/823830006.db2.gz SVSXDZTXFINFFC-MRXNPFEDSA-N 1 1 380.496 4.215 20 0 GIADMO C[NH+](C)CCC1CCN(Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000064515275 823833435 /nfs/dbraw/zinc/83/34/35/823833435.db2.gz CGKMWLMKHYODDE-UHFFFAOYSA-N 1 1 392.341 4.268 20 0 GIADMO CCCN(C)c1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000064521137 823834937 /nfs/dbraw/zinc/83/49/37/823834937.db2.gz PVGNXOLJYXJQGV-GOSISDBHSA-N 1 1 385.577 4.236 20 0 GIADMO O=C(CCSc1ccc(F)cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064522279 823835850 /nfs/dbraw/zinc/83/58/50/823835850.db2.gz LNYVGCZWJONZIZ-INIZCTEOSA-N 1 1 392.565 4.398 20 0 GIADMO Cc1cccc(OCCCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064522054 823836046 /nfs/dbraw/zinc/83/60/46/823836046.db2.gz VJTBLWGKTMVFQQ-IBGZPJMESA-N 1 1 386.561 4.244 20 0 GIADMO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)o1 ZINC000165238903 823841045 /nfs/dbraw/zinc/84/10/45/823841045.db2.gz CGZLJEPAPPBXRC-UZLBHIALSA-N 1 1 383.492 4.193 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)c2cccc(F)c2F)cc1F ZINC000126332044 823842117 /nfs/dbraw/zinc/84/21/17/823842117.db2.gz NVISJXXKUZNYOR-LBPRGKRZSA-N 1 1 388.393 4.158 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000574848352 823842217 /nfs/dbraw/zinc/84/22/17/823842217.db2.gz MAPWNNNYLXBCEN-NVXWUHKLSA-N 1 1 389.952 4.210 20 0 GIADMO COc1cc(C)c([C@@H](C)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000165297221 823842425 /nfs/dbraw/zinc/84/24/25/823842425.db2.gz KXPAZUWKPQIKQG-TZIWHRDSSA-N 1 1 382.548 4.227 20 0 GIADMO COc1cc(C)c([C@@H](C)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000165297221 823842435 /nfs/dbraw/zinc/84/24/35/823842435.db2.gz KXPAZUWKPQIKQG-TZIWHRDSSA-N 1 1 382.548 4.227 20 0 GIADMO COc1ccc(CCC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000574851103 823842964 /nfs/dbraw/zinc/84/29/64/823842964.db2.gz RLAZICOJAIICTC-NRFANRHFSA-N 1 1 398.522 4.185 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)Cc1ccccc1 ZINC000064555012 823843332 /nfs/dbraw/zinc/84/33/32/823843332.db2.gz MYMSTXXRFYOSQM-PMACEKPBSA-N 1 1 395.547 4.151 20 0 GIADMO CC(C)N(Cc1ccccc1F)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000574855189 823844085 /nfs/dbraw/zinc/84/40/85/823844085.db2.gz CEYNBBRXJMQTKQ-UHFFFAOYSA-N 1 1 388.393 4.395 20 0 GIADMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000165353702 823844997 /nfs/dbraw/zinc/84/49/97/823844997.db2.gz WRMXHOFCGZNCCD-CJNGLKHVSA-N 1 1 385.430 4.052 20 0 GIADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000064562463 823845769 /nfs/dbraw/zinc/84/57/69/823845769.db2.gz QUNVNDFOYLXOMW-UHFFFAOYSA-N 1 1 392.547 4.117 20 0 GIADMO O=C([O-])c1cc[nH+]c(N2CCC([NH2+]Cc3ccc(C4CCCC4)cc3)CC2)c1 ZINC000574861654 823845849 /nfs/dbraw/zinc/84/58/49/823845849.db2.gz SVBYPARJBJISQO-UHFFFAOYSA-N 1 1 379.504 4.196 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCc1nc2ccccc2s1 ZINC000462156678 823847936 /nfs/dbraw/zinc/84/79/36/823847936.db2.gz DMUVOHYMZGGBTB-PXNSSMCTSA-N 1 1 393.556 4.256 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462161920 823849570 /nfs/dbraw/zinc/84/95/70/823849570.db2.gz FECWJOUWPRHZMS-GOEBONIOSA-N 1 1 383.458 4.140 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cccc2cccnc21 ZINC000064624036 823854151 /nfs/dbraw/zinc/85/41/51/823854151.db2.gz HAJWFGXFHJZDOP-MRXNPFEDSA-N 1 1 380.517 4.330 20 0 GIADMO CC(C)[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)Cc1ccccn1 ZINC000064629386 823854434 /nfs/dbraw/zinc/85/44/34/823854434.db2.gz RHIDNULFNZNIQG-UHFFFAOYSA-N 1 1 380.319 4.257 20 0 GIADMO CC(C)[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)Cc1ccccn1 ZINC000064629386 823854441 /nfs/dbraw/zinc/85/44/41/823854441.db2.gz RHIDNULFNZNIQG-UHFFFAOYSA-N 1 1 380.319 4.257 20 0 GIADMO CCC[C@H](C)N(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413876258 823854795 /nfs/dbraw/zinc/85/47/95/823854795.db2.gz KJALSCKESUZMAT-HNNXBMFYSA-N 1 1 396.373 4.244 20 0 GIADMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000574910534 823859645 /nfs/dbraw/zinc/85/96/45/823859645.db2.gz PCINQRCURIPKNS-VLIAUNLRSA-N 1 1 391.899 4.362 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462186137 823860154 /nfs/dbraw/zinc/86/01/54/823860154.db2.gz FRJBITZBKZFBDR-HUUCEWRRSA-N 1 1 399.348 4.176 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462189391 823861454 /nfs/dbraw/zinc/86/14/54/823861454.db2.gz MSQLJBUFIGBTHP-CQSZACIVSA-N 1 1 395.425 4.068 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000192113335 823864842 /nfs/dbraw/zinc/86/48/42/823864842.db2.gz GYXJTWXVBVZAJZ-VQTJNVASSA-N 1 1 386.398 4.248 20 0 GIADMO C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(Br)c1 ZINC000462195974 823864835 /nfs/dbraw/zinc/86/48/35/823864835.db2.gz NQCNPJQMGRNNOX-OHRKKDJYSA-N 1 1 397.332 4.213 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1COC(C)(C)C ZINC000462196659 823865301 /nfs/dbraw/zinc/86/53/01/823865301.db2.gz QXSLLSSRKCFEIU-PGRDOPGGSA-N 1 1 380.532 4.252 20 0 GIADMO CC(=O)N(c1nc(CN(C)CC[C@H]2CCCC[N@H+]2C)cs1)c1ccccc1 ZINC000166113472 823870015 /nfs/dbraw/zinc/87/00/15/823870015.db2.gz SBWHUTISFSQMQI-LJQANCHMSA-N 1 1 386.565 4.134 20 0 GIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)CSCC(=O)OC(C)(C)C)c2C1 ZINC000126453762 823871769 /nfs/dbraw/zinc/87/17/69/823871769.db2.gz ANIDRGSFSZKQNU-UHFFFAOYSA-N 1 1 392.565 4.062 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)o2)cc1C ZINC000574961647 823872761 /nfs/dbraw/zinc/87/27/61/823872761.db2.gz GHWARDOALASKER-DZFGPLHGSA-N 1 1 376.504 4.449 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H]3CCN(C)[C@@H]3c3ccccc3)o2)cc1C ZINC000574961647 823872770 /nfs/dbraw/zinc/87/27/70/823872770.db2.gz GHWARDOALASKER-DZFGPLHGSA-N 1 1 376.504 4.449 20 0 GIADMO COc1ccccc1N(C(C)=O)c1nc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cs1 ZINC000166298078 823874517 /nfs/dbraw/zinc/87/45/17/823874517.db2.gz VHIPTMZBOAFZNC-IAGOWNOFSA-N 1 1 385.533 4.458 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000064735915 823875756 /nfs/dbraw/zinc/87/57/56/823875756.db2.gz ARZBCBMFIYKWJI-XMTFNYHQSA-N 1 1 378.944 4.280 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000064735792 823875876 /nfs/dbraw/zinc/87/58/76/823875876.db2.gz SEKRDQSPTLGWIA-IIYDPXPESA-N 1 1 383.305 4.066 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 ZINC000064736964 823876433 /nfs/dbraw/zinc/87/64/33/823876433.db2.gz DPLGRZMTPZYUOG-GOSISDBHSA-N 1 1 393.487 4.124 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1 ZINC000064738974 823877028 /nfs/dbraw/zinc/87/70/28/823877028.db2.gz NIKIZIFTZFYTRW-UHFFFAOYSA-N 1 1 383.536 4.243 20 0 GIADMO COc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c(OC)c1 ZINC000413958104 823877885 /nfs/dbraw/zinc/87/78/85/823877885.db2.gz NSSUBAHAZIMOAS-MRXNPFEDSA-N 1 1 388.895 4.208 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)N(C)CC(F)(F)F ZINC000192144530 823879035 /nfs/dbraw/zinc/87/90/35/823879035.db2.gz JSNSSTSRRJYWON-OAHLLOKOSA-N 1 1 385.474 4.272 20 0 GIADMO CN1C(=O)C[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000192151811 823881980 /nfs/dbraw/zinc/88/19/80/823881980.db2.gz HVLQVJFZQXGVBK-QAPCUYQASA-N 1 1 387.892 4.118 20 0 GIADMO CN1C(=O)C[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000192151805 823882041 /nfs/dbraw/zinc/88/20/41/823882041.db2.gz HVLQVJFZQXGVBK-CRAIPNDOSA-N 1 1 387.892 4.118 20 0 GIADMO CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462229810 823883843 /nfs/dbraw/zinc/88/38/43/823883843.db2.gz GQFZRVPXWASWNN-UHFFFAOYSA-N 1 1 390.572 4.047 20 0 GIADMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCCO[C@H](C(C)C)C1)c1ccccc1 ZINC000575006492 823884925 /nfs/dbraw/zinc/88/49/25/823884925.db2.gz AJRSSJSPRDDVAA-PZUNEJSGSA-N 1 1 397.559 4.209 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F ZINC000462233440 823887059 /nfs/dbraw/zinc/88/70/59/823887059.db2.gz QMXLFXXXCDSPOE-KDOFPFPSSA-N 1 1 377.410 4.347 20 0 GIADMO C[N@@H+](CCNC(=O)CCOc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000064805194 823888661 /nfs/dbraw/zinc/88/86/61/823888661.db2.gz JHBODPCYFNIEIT-UHFFFAOYSA-N 1 1 381.303 4.011 20 0 GIADMO Fc1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c(Br)c1 ZINC000462239102 823890482 /nfs/dbraw/zinc/89/04/82/823890482.db2.gz RMAVUVITTWUJGM-UHFFFAOYSA-N 1 1 380.261 4.228 20 0 GIADMO CCCn1c2ccccc2nc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000575027033 823892368 /nfs/dbraw/zinc/89/23/68/823892368.db2.gz MMUKLQODVQOJEO-SJBKTWHCSA-N 1 1 375.516 4.451 20 0 GIADMO C[N@H+]1CCCN(c2ccc(-c3noc(/C=C\c4ccccc4Cl)n3)cn2)CC1 ZINC000575035186 823895439 /nfs/dbraw/zinc/89/54/39/823895439.db2.gz SZINVJGNDFQAEH-NTMALXAHSA-N 1 1 395.894 4.097 20 0 GIADMO CCN(C(=O)c1ccc(F)c(NC(C)=O)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000126552220 823896767 /nfs/dbraw/zinc/89/67/67/823896767.db2.gz DEZFMGGAIAIZOU-OXJNMPFZSA-N 1 1 397.494 4.082 20 0 GIADMO C[C@@H](NC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1 ZINC000167853367 823896842 /nfs/dbraw/zinc/89/68/42/823896842.db2.gz KYXUIAOQZUSNKF-ZWKOTPCHSA-N 1 1 381.520 4.423 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)ccc1OC(F)F ZINC000167940832 823898700 /nfs/dbraw/zinc/89/87/00/823898700.db2.gz CCZOUYAKFOSNEW-TZMCWYRMSA-N 1 1 380.439 4.197 20 0 GIADMO NC(=O)C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045219 823898949 /nfs/dbraw/zinc/89/89/49/823898949.db2.gz XEKQNLOZAFMIIR-NHCUHLMSSA-N 1 1 397.950 4.043 20 0 GIADMO NC(=O)C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045219 823898957 /nfs/dbraw/zinc/89/89/57/823898957.db2.gz XEKQNLOZAFMIIR-NHCUHLMSSA-N 1 1 397.950 4.043 20 0 GIADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000126560967 823898970 /nfs/dbraw/zinc/89/89/70/823898970.db2.gz UUBYQUXKLQNAAH-AWEZNQCLSA-N 1 1 382.335 4.152 20 0 GIADMO CCCc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)o1 ZINC000575067807 823903774 /nfs/dbraw/zinc/90/37/74/823903774.db2.gz JESUKZRBEPRTJK-OAQYLSRUSA-N 1 1 391.515 4.483 20 0 GIADMO CCCc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)o1 ZINC000575067807 823903781 /nfs/dbraw/zinc/90/37/81/823903781.db2.gz JESUKZRBEPRTJK-OAQYLSRUSA-N 1 1 391.515 4.483 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462261403 823903804 /nfs/dbraw/zinc/90/38/04/823903804.db2.gz YIHDBLCFDBIGOQ-DYESRHJHSA-N 1 1 394.519 4.067 20 0 GIADMO Clc1ccc([C@@H]2CCC[C@H]([NH2+]C3CCN(C[C@H]4CCOC4)CC3)C2)cc1 ZINC000414081593 823904332 /nfs/dbraw/zinc/90/43/32/823904332.db2.gz FEBSMFCWTDVECE-JUXOCIIHSA-N 1 1 376.972 4.457 20 0 GIADMO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000168652197 823905610 /nfs/dbraw/zinc/90/56/10/823905610.db2.gz XXTPUKUKRJHXII-ZDUSSCGKSA-N 1 1 376.234 4.496 20 0 GIADMO CCOc1cc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1OC ZINC000168812637 823906363 /nfs/dbraw/zinc/90/63/63/823906363.db2.gz JVKZMNSHZYXXFI-UHFFFAOYSA-N 1 1 386.511 4.030 20 0 GIADMO CC[C@@H](CNC(=S)Nc1ccc2c(c1)CCC2)[N@H+]1CCc2ccccc2C1 ZINC000064892573 823906501 /nfs/dbraw/zinc/90/65/01/823906501.db2.gz SRPBDAKUXCUJDC-QFIPXVFZSA-N 1 1 379.573 4.299 20 0 GIADMO COc1ccc(CCC[N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000168992972 823907489 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384.479 4.036 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C2(Cc3ccccc3Br)CC2)s1 ZINC000414118502 823913863 /nfs/dbraw/zinc/91/38/63/823913863.db2.gz AWZYOGYWULJOGV-NSHDSACASA-N 1 1 395.322 4.118 20 0 GIADMO CC[C@H](C)n1ncc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C1CC1 ZINC000462297937 823915204 /nfs/dbraw/zinc/91/52/04/823915204.db2.gz NGKDXUBVZFWWSB-XGHQBKJUSA-N 1 1 395.551 4.374 20 0 GIADMO CC[N@H+](CCOc1cccc2ccccc21)CC(=O)Nc1c(F)cccc1F ZINC000064949759 823917242 /nfs/dbraw/zinc/91/72/42/823917242.db2.gz DJSABRQKJOZFBJ-UHFFFAOYSA-N 1 1 384.426 4.457 20 0 GIADMO CC[N@@H+](CCOc1cccc2ccccc21)CC(=O)Nc1c(F)cccc1F ZINC000064949759 823917250 /nfs/dbraw/zinc/91/72/50/823917250.db2.gz DJSABRQKJOZFBJ-UHFFFAOYSA-N 1 1 384.426 4.457 20 0 GIADMO C[C@H](c1ccc(F)c(Cl)c1)[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064960824 823918688 /nfs/dbraw/zinc/91/86/88/823918688.db2.gz GNEUDHJSSGMXLB-CQSZACIVSA-N 1 1 399.915 4.345 20 0 GIADMO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064960824 823918691 /nfs/dbraw/zinc/91/86/91/823918691.db2.gz GNEUDHJSSGMXLB-CQSZACIVSA-N 1 1 399.915 4.345 20 0 GIADMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc2ccccc2c1 ZINC000064961760 823918878 /nfs/dbraw/zinc/91/88/78/823918878.db2.gz XCBOQNIVFKSXIF-UHFFFAOYSA-N 1 1 383.513 4.144 20 0 GIADMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000575130939 823919244 /nfs/dbraw/zinc/91/92/44/823919244.db2.gz NDLBDBDFJSHIOH-KRWDZBQOSA-N 1 1 377.431 4.337 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(OCc2nccn2C)cc1 ZINC000414158761 823920239 /nfs/dbraw/zinc/92/02/39/823920239.db2.gz UWWAACIAKZUJRY-CABCVRRESA-N 1 1 382.533 4.356 20 0 GIADMO COc1ccc2c(C[N@H+](C)Cc3csc(Br)c3)cc(=O)oc2c1 ZINC000064994210 823922824 /nfs/dbraw/zinc/92/28/24/823922824.db2.gz OQBZHOLJNZVENA-UHFFFAOYSA-N 1 1 394.290 4.258 20 0 GIADMO COc1ccc2c(C[N@@H+](C)Cc3csc(Br)c3)cc(=O)oc2c1 ZINC000064994210 823922834 /nfs/dbraw/zinc/92/28/34/823922834.db2.gz OQBZHOLJNZVENA-UHFFFAOYSA-N 1 1 394.290 4.258 20 0 GIADMO CC(C)(C)[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccccc1 ZINC000575147865 823923260 /nfs/dbraw/zinc/92/32/60/823923260.db2.gz OBMSZCAQDDMNOJ-UHFFFAOYSA-N 1 1 393.531 4.443 20 0 GIADMO CC(C)N1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2nc3ccccc3s2)C1=O ZINC000414188964 823924783 /nfs/dbraw/zinc/92/47/83/823924783.db2.gz QUADPEFBVBRECS-MOPGFXCFSA-N 1 1 379.529 4.179 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccccc2Br)cc1OC ZINC000575152312 823925130 /nfs/dbraw/zinc/92/51/30/823925130.db2.gz RXKYHKMSVMKVQP-GUYCJALGSA-N 1 1 394.309 4.241 20 0 GIADMO Cc1csc(=O)n1CC[N@@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000170648573 823926733 /nfs/dbraw/zinc/92/67/33/823926733.db2.gz ZCRZTIWPLFDTTM-UHFFFAOYSA-N 1 1 385.533 4.218 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)c1 ZINC000414212678 823930430 /nfs/dbraw/zinc/93/04/30/823930430.db2.gz RLNQIEQKKOZAPI-CQSZACIVSA-N 1 1 395.956 4.296 20 0 GIADMO CCOCc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000170669951 823932194 /nfs/dbraw/zinc/93/21/94/823932194.db2.gz GOJZVXAFZOZNFH-LJQANCHMSA-N 1 1 375.900 4.301 20 0 GIADMO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000126707791 823932353 /nfs/dbraw/zinc/93/23/53/823932353.db2.gz XJXOZWQNZLYTDX-MSOLQXFVSA-N 1 1 385.527 4.388 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](CCc1ncc(C)cc1C)C(C)C ZINC000575177902 823932489 /nfs/dbraw/zinc/93/24/89/823932489.db2.gz DIZZTMCJZVSPGM-IBGZPJMESA-N 1 1 388.577 4.113 20 0 GIADMO CC(=O)N1CC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180430 823933091 /nfs/dbraw/zinc/93/30/91/823933091.db2.gz VGYAFLMFMQNKCY-JTHBVZDNSA-N 1 1 389.543 4.271 20 0 GIADMO CC(=O)N1CC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180430 823933101 /nfs/dbraw/zinc/93/31/01/823933101.db2.gz VGYAFLMFMQNKCY-JTHBVZDNSA-N 1 1 389.543 4.271 20 0 GIADMO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CCCc1ccncc1 ZINC000462346122 823933418 /nfs/dbraw/zinc/93/34/18/823933418.db2.gz CGNIOFSNMLHNIS-KXBFYZLASA-N 1 1 375.310 4.239 20 0 GIADMO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CCCc1ccncc1 ZINC000462346121 823933502 /nfs/dbraw/zinc/93/35/02/823933502.db2.gz CGNIOFSNMLHNIS-HNAYVOBHSA-N 1 1 375.310 4.239 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC000414227727 823934039 /nfs/dbraw/zinc/93/40/39/823934039.db2.gz XAGNURJNAQQJAM-BDJLRTHQSA-N 1 1 387.332 4.443 20 0 GIADMO FC(F)(F)c1ccnc(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)n1 ZINC000414237011 823936710 /nfs/dbraw/zinc/93/67/10/823936710.db2.gz ATUCAFSHGJAJBU-LSDHHAIUSA-N 1 1 385.817 4.029 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000065074202 823936751 /nfs/dbraw/zinc/93/67/51/823936751.db2.gz CVSBIVNIKNEFGI-UHFFFAOYSA-N 1 1 388.446 4.366 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N(Cc3ccco3)Cc3ccco3)CC2)cs1 ZINC000170684235 823937896 /nfs/dbraw/zinc/93/78/96/823937896.db2.gz ZLVTZBMIELYFDF-UHFFFAOYSA-N 1 1 399.516 4.079 20 0 GIADMO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)CCC2 ZINC000126735653 823938656 /nfs/dbraw/zinc/93/86/56/823938656.db2.gz SGOAEWWZMRCVMJ-KDOFPFPSSA-N 1 1 388.556 4.071 20 0 GIADMO Nc1c(Cl)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000192302427 823940479 /nfs/dbraw/zinc/94/04/79/823940479.db2.gz JFYHAYFFUREUOP-BDJLRTHQSA-N 1 1 383.323 4.056 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(Br)cc1 ZINC000414248685 823940476 /nfs/dbraw/zinc/94/04/76/823940476.db2.gz WQNHXZJKLZQCOT-MRXNPFEDSA-N 1 1 382.323 4.094 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccccc1OC ZINC000126751165 823941719 /nfs/dbraw/zinc/94/17/19/823941719.db2.gz UVPDLYOIFLTSTP-UTKZUKDTSA-N 1 1 385.527 4.388 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccccc1OC ZINC000126750932 823941868 /nfs/dbraw/zinc/94/18/68/823941868.db2.gz UVPDLYOIFLTSTP-LAUBAEHRSA-N 1 1 385.527 4.388 20 0 GIADMO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC000126763606 823945003 /nfs/dbraw/zinc/94/50/03/823945003.db2.gz XOSSGAJMVZPNMK-ROUUACIJSA-N 1 1 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386.517 4.200 20 0 GIADMO COc1ccccc1-n1nccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414559776 824012523 /nfs/dbraw/zinc/01/25/23/824012523.db2.gz QHNBMYGJDCETJJ-QHCPKHFHSA-N 1 1 389.499 4.235 20 0 GIADMO COc1ccccc1-n1nccc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414559776 824012528 /nfs/dbraw/zinc/01/25/28/824012528.db2.gz QHNBMYGJDCETJJ-QHCPKHFHSA-N 1 1 389.499 4.235 20 0 GIADMO COc1ccc(OC(C)C)c(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000170953824 824015938 /nfs/dbraw/zinc/01/59/38/824015938.db2.gz XEDJKYDJXXTQFC-UHFFFAOYSA-N 1 1 383.492 4.041 20 0 GIADMO Cc1nc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)sc1C(F)(F)F ZINC000575884552 824019669 /nfs/dbraw/zinc/01/96/69/824019669.db2.gz JIZQWESSEZASGH-OCCSQVGLSA-N 1 1 398.454 4.427 20 0 GIADMO COC(=O)Nc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000192543102 824026306 /nfs/dbraw/zinc/02/63/06/824026306.db2.gz IBYUCNMSODERDL-INIZCTEOSA-N 1 1 381.476 4.349 20 0 GIADMO Cc1cc2cc(CNC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)ccc2[nH]1 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Cc1cccc2ncc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164993625 722197600 /nfs/dbraw/zinc/19/76/00/722197600.db2.gz FVGYVSSJQYUQMY-HSZRJFAPSA-N 1 1 376.479 4.322 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2cncc(Cl)n2)C3)c1 ZINC001164997326 722206123 /nfs/dbraw/zinc/20/61/23/722206123.db2.gz ZNGONSXLMFTQCL-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2cncc(Cl)n2)C3)c1 ZINC001164997326 722206126 /nfs/dbraw/zinc/20/61/26/722206126.db2.gz ZNGONSXLMFTQCL-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO COc1ccc([C@H](C)CC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000175812596 823045849 /nfs/dbraw/zinc/04/58/49/823045849.db2.gz FLSSHMMAWTUQDX-OAHLLOKOSA-N 1 1 381.451 4.138 20 0 GIADMO COc1ccc(-c2ccncc2)cc1CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187356959 823048824 /nfs/dbraw/zinc/04/88/24/823048824.db2.gz GSTVWWGNAIZDLL-RXVVDRJESA-N 1 1 379.548 4.500 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(Cl)cc1F ZINC000175830077 823049897 /nfs/dbraw/zinc/04/98/97/823049897.db2.gz IIMCDHAICYWZBY-WMLDXEAASA-N 1 1 396.915 4.457 20 0 GIADMO COc1cc(C)ccc1Oc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cn1 ZINC000570556633 823053969 /nfs/dbraw/zinc/05/39/69/823053969.db2.gz UHOGCWQXCJTBTB-MRXNPFEDSA-N 1 1 386.496 4.041 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000175834920 823050940 /nfs/dbraw/zinc/05/09/40/823050940.db2.gz NKPSMSPSEREMRM-MRXNPFEDSA-N 1 1 375.476 4.011 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)co2)cc1 ZINC000175835325 823051207 /nfs/dbraw/zinc/05/12/07/823051207.db2.gz KZHDTRYYOAPJIT-MJGOQNOKSA-N 1 1 384.501 4.500 20 0 GIADMO O=C1OCCN1c1cccc2c1CC[N@@H+](CCCCCOc1ccccc1)C2 ZINC000187386560 823054023 /nfs/dbraw/zinc/05/40/23/823054023.db2.gz HRHWTXBTOZBGJP-UHFFFAOYSA-N 1 1 380.488 4.251 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2CCC(OC)CC2)c1 ZINC000458533680 823052003 /nfs/dbraw/zinc/05/20/03/823052003.db2.gz CSOVLOPFYLGMHV-UHFFFAOYSA-N 1 1 375.557 4.065 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)C1 ZINC000187375951 823052294 /nfs/dbraw/zinc/05/22/94/823052294.db2.gz FSXXTCBXKAQDFE-CVDCTZTESA-N 1 1 399.579 4.019 20 0 GIADMO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)n2)cc1 ZINC000175845646 823053541 /nfs/dbraw/zinc/05/35/41/823053541.db2.gz LYRARAMPQGKOKZ-AEFFLSMTSA-N 1 1 399.516 4.285 20 0 GIADMO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)n2)cc1 ZINC000175845646 823053544 /nfs/dbraw/zinc/05/35/44/823053544.db2.gz LYRARAMPQGKOKZ-AEFFLSMTSA-N 1 1 399.516 4.285 20 0 GIADMO Cc1csc([C@H](NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C2CC2)n1 ZINC000175848335 823054508 /nfs/dbraw/zinc/05/45/08/823054508.db2.gz CGNRMLPAWYHSNY-YQVWRLOYSA-N 1 1 390.597 4.199 20 0 GIADMO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000570589504 823058506 /nfs/dbraw/zinc/05/85/06/823058506.db2.gz JXTBZZQGDIETCT-HSZRJFAPSA-N 1 1 375.516 4.254 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1)c1cccs1 ZINC000175862558 823058125 /nfs/dbraw/zinc/05/81/25/823058125.db2.gz DPOZQSBNRZOTOB-RBUKOAKNSA-N 1 1 382.533 4.197 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc4ccc(OC)cc4s3)ccc2NC1=O ZINC000187435302 823063181 /nfs/dbraw/zinc/06/31/81/823063181.db2.gz LFZOXCMWVFTMGJ-SJKOYZFVSA-N 1 1 397.500 4.265 20 0 GIADMO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000570605663 823061213 /nfs/dbraw/zinc/06/12/13/823061213.db2.gz AKYOEPZBAAQIHD-KCZVDYSFSA-N 1 1 397.950 4.400 20 0 GIADMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1ccccc1 ZINC000187434100 823062985 /nfs/dbraw/zinc/06/29/85/823062985.db2.gz SFLYLEHNIGWBKY-PIKZIKFNSA-N 1 1 398.503 4.009 20 0 GIADMO C[C@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)c1nc(C(F)(F)F)cs1 ZINC000570622690 823063852 /nfs/dbraw/zinc/06/38/52/823063852.db2.gz CRIAQUSKIOYLBT-WFASDCNBSA-N 1 1 396.434 4.406 20 0 GIADMO Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000120792623 823065414 /nfs/dbraw/zinc/06/54/14/823065414.db2.gz CRIWAXZOLVGTKD-YOEHRIQHSA-N 1 1 392.341 4.238 20 0 GIADMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1 ZINC000055910064 823065792 /nfs/dbraw/zinc/06/57/92/823065792.db2.gz OHWCTCQSWPPYFE-CTNGQTDRSA-N 1 1 382.467 4.369 20 0 GIADMO Clc1ccc([C@@H]2CC[N@@H+]2Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000570640085 823065761 /nfs/dbraw/zinc/06/57/61/823065761.db2.gz XORSFXDLCDJSEH-SFHVURJKSA-N 1 1 381.863 4.448 20 0 GIADMO Clc1ccc([C@@H]2CC[N@H+]2Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000570640085 823065766 /nfs/dbraw/zinc/06/57/66/823065766.db2.gz XORSFXDLCDJSEH-SFHVURJKSA-N 1 1 381.863 4.448 20 0 GIADMO CN(C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC(C)(C)C1 ZINC000458627414 823065981 /nfs/dbraw/zinc/06/59/81/823065981.db2.gz VKYBSLWGMUEEAN-RDTXWAMCSA-N 1 1 381.923 4.302 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000175897881 823066766 /nfs/dbraw/zinc/06/67/66/823066766.db2.gz ILZXOAFEBSXPIT-UHFFFAOYSA-N 1 1 385.577 4.057 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1F ZINC000175900483 823067368 /nfs/dbraw/zinc/06/73/68/823067368.db2.gz BYOXEDMBZPIQIQ-BTYIYWSLSA-N 1 1 378.451 4.222 20 0 GIADMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000120818460 823070301 /nfs/dbraw/zinc/07/03/01/823070301.db2.gz KVGOVKMBJYRWGL-GDBMZVCRSA-N 1 1 389.496 4.163 20 0 GIADMO CC(C)c1noc(-c2ccc(NC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2)n1 ZINC000175922088 823073411 /nfs/dbraw/zinc/07/34/11/823073411.db2.gz FEJNHQBJOWVKDQ-SFHVURJKSA-N 1 1 385.512 4.198 20 0 GIADMO CCOCc1cccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175927315 823074915 /nfs/dbraw/zinc/07/49/15/823074915.db2.gz JGZDXFPQCNSPKT-NRFANRHFSA-N 1 1 381.520 4.209 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000570719241 823075293 /nfs/dbraw/zinc/07/52/93/823075293.db2.gz LZIGSDUVLVORMD-PXNSSMCTSA-N 1 1 390.487 4.435 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)CCCc3ccc(F)c(F)c3)cc2)CC1 ZINC000175933137 823076219 /nfs/dbraw/zinc/07/62/19/823076219.db2.gz RBCWVACZNZSTJB-UHFFFAOYSA-N 1 1 387.474 4.068 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCCCCOc1ccc(Cl)cc1 ZINC000187509850 823077967 /nfs/dbraw/zinc/07/79/67/823077967.db2.gz DFIMRGFRMVUNDC-PXNSSMCTSA-N 1 1 395.975 4.261 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cnn1-c1ccc(F)cc1 ZINC000120880119 823081499 /nfs/dbraw/zinc/08/14/99/823081499.db2.gz KGSOAKPCRAPGDQ-OAHLLOKOSA-N 1 1 384.474 4.371 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000570740362 823078900 /nfs/dbraw/zinc/07/89/00/823078900.db2.gz CCHJDZAMHMYQPP-DZGCQCFKSA-N 1 1 392.544 4.347 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000570740205 823078958 /nfs/dbraw/zinc/07/89/58/823078958.db2.gz HRQCUXXKBICACN-UZLBHIALSA-N 1 1 388.943 4.244 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3C[C@H](c4ccc(C(F)(F)F)cc4)C3)C2)C1 ZINC000458727906 823079134 /nfs/dbraw/zinc/07/91/34/823079134.db2.gz JEBPRFLOHOTFLR-QRFRQXIXSA-N 1 1 395.469 4.079 20 0 GIADMO C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570746056 823080442 /nfs/dbraw/zinc/08/04/42/823080442.db2.gz SJWSOXDHCPOSJC-LQWHRVPQSA-N 1 1 376.504 4.298 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000570756145 823081393 /nfs/dbraw/zinc/08/13/93/823081393.db2.gz UKPOQCKEADBZBJ-PGRDOPGGSA-N 1 1 375.520 4.058 20 0 GIADMO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000570756145 823081397 /nfs/dbraw/zinc/08/13/97/823081397.db2.gz UKPOQCKEADBZBJ-PGRDOPGGSA-N 1 1 375.520 4.058 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000570756145 823081401 /nfs/dbraw/zinc/08/14/01/823081401.db2.gz UKPOQCKEADBZBJ-PGRDOPGGSA-N 1 1 375.520 4.058 20 0 GIADMO CO[C@@H](C)c1cccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175956449 823082012 /nfs/dbraw/zinc/08/20/12/823082012.db2.gz ZHHIMVAJQWOHSU-ICSRJNTNSA-N 1 1 381.520 4.380 20 0 GIADMO CCOc1ccc(CCC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000570766687 823083801 /nfs/dbraw/zinc/08/38/01/823083801.db2.gz VEWQBZROWVYBGP-QHCPKHFHSA-N 1 1 394.559 4.436 20 0 GIADMO CCCCn1nc(C)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1Cl ZINC000120898208 823083851 /nfs/dbraw/zinc/08/38/51/823083851.db2.gz ZMIFTMVCQJNSGK-UHFFFAOYSA-N 1 1 386.931 4.067 20 0 GIADMO CC1(CC(F)(F)F)CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000458777385 823084300 /nfs/dbraw/zinc/08/43/00/823084300.db2.gz BMALLODZRDATEP-SFHVURJKSA-N 1 1 397.485 4.273 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCSC4(CCCCC4)C3)cs2)cc1 ZINC000175968558 823084371 /nfs/dbraw/zinc/08/43/71/823084371.db2.gz SYQSVBZYFHYOMH-UHFFFAOYSA-N 1 1 387.574 4.161 20 0 GIADMO Fc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1C(F)(F)F ZINC000120907328 823085060 /nfs/dbraw/zinc/08/50/60/823085060.db2.gz RIAMSXVZLIOLIA-UHFFFAOYSA-N 1 1 378.373 4.267 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]Cc2cc(Br)c3c(c2)OCCO3)s1 ZINC000175980832 823087851 /nfs/dbraw/zinc/08/78/51/823087851.db2.gz NLRBQIPUTPIARF-UHFFFAOYSA-N 1 1 383.311 4.010 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000187581313 823092279 /nfs/dbraw/zinc/09/22/79/823092279.db2.gz QERAHYCHSSFJDG-GOSISDBHSA-N 1 1 379.298 4.089 20 0 GIADMO CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000175986421 823089125 /nfs/dbraw/zinc/08/91/25/823089125.db2.gz OOEKAQCDNNIGCA-ZHRRBRCNSA-N 1 1 397.494 4.016 20 0 GIADMO CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000175986421 823089130 /nfs/dbraw/zinc/08/91/30/823089130.db2.gz OOEKAQCDNNIGCA-ZHRRBRCNSA-N 1 1 397.494 4.016 20 0 GIADMO CCOC[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000175989556 823089715 /nfs/dbraw/zinc/08/97/15/823089715.db2.gz PTBBAEGHBTYEBE-IBGZPJMESA-N 1 1 387.568 4.019 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000187568287 823089797 /nfs/dbraw/zinc/08/97/97/823089797.db2.gz LASZNWHOAPRAPB-MBSDFSHPSA-N 1 1 382.504 4.290 20 0 GIADMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000187568287 823089802 /nfs/dbraw/zinc/08/98/02/823089802.db2.gz LASZNWHOAPRAPB-MBSDFSHPSA-N 1 1 382.504 4.290 20 0 GIADMO CCC[N@@H+](C)[C@@H](CNC(=O)C[C@H](C)n1nc(C)cc1C)c1ccc(Cl)cc1 ZINC000570808610 823089827 /nfs/dbraw/zinc/08/98/27/823089827.db2.gz UKVDJRWOTQVHRV-PXNSSMCTSA-N 1 1 390.959 4.304 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000187574381 823090995 /nfs/dbraw/zinc/09/09/95/823090995.db2.gz CGDBAAKYWCBURM-MRVPVSSYSA-N 1 1 380.288 4.267 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000458816153 823091078 /nfs/dbraw/zinc/09/10/78/823091078.db2.gz IMKPREYVMBMTKT-NJAFHUGGSA-N 1 1 385.474 4.094 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCCc3ccc(C)s3)CC2)cc1 ZINC000175995343 823091141 /nfs/dbraw/zinc/09/11/41/823091141.db2.gz DKIPGKZJTOHZLO-UHFFFAOYSA-N 1 1 386.561 4.122 20 0 GIADMO COCc1cccc(C[NH2+][C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)c1 ZINC000056157205 823091840 /nfs/dbraw/zinc/09/18/40/823091840.db2.gz DZDIKQNJQRQQTN-HSZRJFAPSA-N 1 1 390.483 4.311 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1)[NH+]1CCOCC1 ZINC000175998684 823092054 /nfs/dbraw/zinc/09/20/54/823092054.db2.gz KVPWSEJJDYYQHB-HNNXBMFYSA-N 1 1 399.457 4.276 20 0 GIADMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)C[C@@H](C)C1 ZINC000458821164 823092097 /nfs/dbraw/zinc/09/20/97/823092097.db2.gz SSPMJNJPYQJZNB-RNIPGJKVSA-N 1 1 397.485 4.094 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000187579397 823092136 /nfs/dbraw/zinc/09/21/36/823092136.db2.gz RSMHYUNXVNAEEB-YVEFUNNKSA-N 1 1 392.849 4.170 20 0 GIADMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000187579397 823092142 /nfs/dbraw/zinc/09/21/42/823092142.db2.gz RSMHYUNXVNAEEB-YVEFUNNKSA-N 1 1 392.849 4.170 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000187582673 823092765 /nfs/dbraw/zinc/09/27/65/823092765.db2.gz GITDUBDSKUTCCA-UPVQGACJSA-N 1 1 396.531 4.250 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@](CC)(CO)C1 ZINC000187582673 823092771 /nfs/dbraw/zinc/09/27/71/823092771.db2.gz GITDUBDSKUTCCA-UPVQGACJSA-N 1 1 396.531 4.250 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000458835147 823094897 /nfs/dbraw/zinc/09/48/97/823094897.db2.gz CIUUEPSDADMZIK-ZWKOTPCHSA-N 1 1 385.474 4.238 20 0 GIADMO C[C@@H]1CCN(C(=O)NCc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000176010961 823095160 /nfs/dbraw/zinc/09/51/60/823095160.db2.gz KHPMWSIAWPDOEI-LJQANCHMSA-N 1 1 388.515 4.041 20 0 GIADMO CCN(CCOC)c1cccc(C[NH2+]C(c2ccccc2)c2ccccc2)n1 ZINC000570858229 823096977 /nfs/dbraw/zinc/09/69/77/823096977.db2.gz MFPLUNYRQBBTNO-UHFFFAOYSA-N 1 1 375.516 4.434 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)NC3CC[NH+](C4CCCC4)CC3)[nH]c2c1 ZINC000176026651 823099003 /nfs/dbraw/zinc/09/90/03/823099003.db2.gz FDBBOQQEENZXDB-NRFANRHFSA-N 1 1 395.551 4.125 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(OC(C)C)c(C)c3)c2C1 ZINC000121004429 823101443 /nfs/dbraw/zinc/10/14/43/823101443.db2.gz OJTWNVQDQXDZNJ-UHFFFAOYSA-N 1 1 395.503 4.085 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(OC(C)C)c(C)c3)c2C1 ZINC000121004429 823101447 /nfs/dbraw/zinc/10/14/47/823101447.db2.gz OJTWNVQDQXDZNJ-UHFFFAOYSA-N 1 1 395.503 4.085 20 0 GIADMO Cc1nc(COc2ccc(N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000121010051 823102266 /nfs/dbraw/zinc/10/22/66/823102266.db2.gz WGLORKKPPWDESL-JXFKEZNVSA-N 1 1 378.476 4.032 20 0 GIADMO CCN(c1ccccc1)c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000176054699 823108203 /nfs/dbraw/zinc/10/82/03/823108203.db2.gz QLHUDOSWOGFCSK-XXBNENTESA-N 1 1 394.563 4.469 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CCCc2nc(-c3ccccc3)no2)cc1OC ZINC000176059399 823109145 /nfs/dbraw/zinc/10/91/45/823109145.db2.gz CAFKJLDTAMOWIT-UHFFFAOYSA-N 1 1 381.476 4.127 20 0 GIADMO CCCN(C(=O)NCc1ncc(C)s1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000176063555 823110225 /nfs/dbraw/zinc/11/02/25/823110225.db2.gz WZSNFVCCEXWLAD-LJQANCHMSA-N 1 1 386.565 4.038 20 0 GIADMO CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000570973892 823113924 /nfs/dbraw/zinc/11/39/24/823113924.db2.gz UQYLFFBTNYTAJL-LPHOPBHVSA-N 1 1 385.943 4.072 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)CCc1cc(Cl)ccc1Br ZINC000176067302 823111450 /nfs/dbraw/zinc/11/14/50/823111450.db2.gz RWAQPDFCSYQXHL-UHFFFAOYSA-N 1 1 398.732 4.137 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000570958865 823111945 /nfs/dbraw/zinc/11/19/45/823111945.db2.gz PYXBWGUXAGVCGO-BLLLJJGKSA-N 1 1 390.833 4.188 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCc2ccc(Br)cc2)C1 ZINC000176078341 823114283 /nfs/dbraw/zinc/11/42/83/823114283.db2.gz GMKMNUZWISULPD-INIZCTEOSA-N 1 1 381.358 4.010 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459008567 823116141 /nfs/dbraw/zinc/11/61/41/823116141.db2.gz LYAPBIAACRRZSL-AUUYWEPGSA-N 1 1 381.923 4.304 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(Br)cn1 ZINC000570992181 823116676 /nfs/dbraw/zinc/11/66/76/823116676.db2.gz QPZGSSPVTAAPLM-UWVGGRQHSA-N 1 1 385.103 4.413 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2CCOC3(CCC3)C2)CC1 ZINC000459014521 823117080 /nfs/dbraw/zinc/11/70/80/823117080.db2.gz KWXBTMHSKCYLSI-CTNGQTDRSA-N 1 1 391.600 4.022 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3C[C@@H](C(C)C)Nc4ccccc43)CC2)[nH+]c1 ZINC000176089839 823117390 /nfs/dbraw/zinc/11/73/90/823117390.db2.gz YXPOHPVJGQCGHK-FQEVSTJZSA-N 1 1 378.520 4.090 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000121103862 823119470 /nfs/dbraw/zinc/11/94/70/823119470.db2.gz JIRLCNGQSSGSJP-CYBMUJFWSA-N 1 1 378.517 4.318 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC000176090851 823117761 /nfs/dbraw/zinc/11/77/61/823117761.db2.gz BGSJIDSYAUUQNX-LJQANCHMSA-N 1 1 398.469 4.087 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000459022866 823118088 /nfs/dbraw/zinc/11/80/88/823118088.db2.gz PCNUZGWJVCKFPZ-BAGYTPMASA-N 1 1 399.579 4.030 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571009227 823119543 /nfs/dbraw/zinc/11/95/43/823119543.db2.gz ISUAVSHNWDQZIQ-HXUWFJFHSA-N 1 1 394.519 4.069 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459025183 823118346 /nfs/dbraw/zinc/11/83/46/823118346.db2.gz VIRMFLXVLGNKAD-LZQZEXGQSA-N 1 1 379.907 4.056 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)[C@H]2SCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000176113089 823124442 /nfs/dbraw/zinc/12/44/42/823124442.db2.gz PJNRVSLOSZCLRK-AGHHOFFYSA-N 1 1 380.557 4.186 20 0 GIADMO C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187737020 823122289 /nfs/dbraw/zinc/12/22/89/823122289.db2.gz GHEHDDZSIHAYQG-CHWSQXEVSA-N 1 1 392.956 4.174 20 0 GIADMO C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187737020 823122291 /nfs/dbraw/zinc/12/22/91/823122291.db2.gz GHEHDDZSIHAYQG-CHWSQXEVSA-N 1 1 392.956 4.174 20 0 GIADMO C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187737020 823122292 /nfs/dbraw/zinc/12/22/92/823122292.db2.gz GHEHDDZSIHAYQG-CHWSQXEVSA-N 1 1 392.956 4.174 20 0 GIADMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000571034939 823123174 /nfs/dbraw/zinc/12/31/74/823123174.db2.gz YJFXZAKKLWVONP-YSFYHYPLSA-N 1 1 382.479 4.131 20 0 GIADMO Cc1nn(C)c(CNc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)c1Br ZINC000571037182 823123523 /nfs/dbraw/zinc/12/35/23/823123523.db2.gz TXTNBZOBIQERBZ-CYBMUJFWSA-N 1 1 392.345 4.185 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000459069930 823123576 /nfs/dbraw/zinc/12/35/76/823123576.db2.gz MMQHBASAOFVSMV-RTBURBONSA-N 1 1 393.597 4.122 20 0 GIADMO Cc1nn(C)c(CNc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)c1Br ZINC000571037187 823123590 /nfs/dbraw/zinc/12/35/90/823123590.db2.gz TXTNBZOBIQERBZ-ZDUSSCGKSA-N 1 1 392.345 4.185 20 0 GIADMO Cc1nc(C[NH2+]C[C@@H](O)COc2cccc(C)c2)oc1-c1ccc(Cl)cc1 ZINC000571040223 823124101 /nfs/dbraw/zinc/12/41/01/823124101.db2.gz XMPAQSXGKVQVJR-GOSISDBHSA-N 1 1 386.879 4.141 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)CCCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000176115843 823125416 /nfs/dbraw/zinc/12/54/16/823125416.db2.gz URPIPULXYGMLAY-QUCCMNQESA-N 1 1 384.495 4.154 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2ccccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000176117300 823125952 /nfs/dbraw/zinc/12/59/52/823125952.db2.gz KBIIJDUTRFXFBP-WBVHZDCISA-N 1 1 376.422 4.488 20 0 GIADMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000121141536 823126140 /nfs/dbraw/zinc/12/61/40/823126140.db2.gz QROWIKOSZMGRJI-UHFFFAOYSA-N 1 1 386.858 4.063 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)CCCOCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000176120655 823127082 /nfs/dbraw/zinc/12/70/82/823127082.db2.gz OHHHUVNJFCKJST-URXFXBBRSA-N 1 1 394.559 4.195 20 0 GIADMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000571078402 823128776 /nfs/dbraw/zinc/12/87/76/823128776.db2.gz LJPLOMBQUGQLHJ-KSSFIOAISA-N 1 1 377.579 4.197 20 0 GIADMO COc1ccc2cc(CNC(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)ccc2c1 ZINC000056343067 823131486 /nfs/dbraw/zinc/13/14/86/823131486.db2.gz YJIOLMCOOVKLHP-UHFFFAOYSA-N 1 1 383.536 4.110 20 0 GIADMO O=C(NCc1ccccc1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056342863 823131526 /nfs/dbraw/zinc/13/15/26/823131526.db2.gz DBKNAYKZRAIBGK-UHFFFAOYSA-N 1 1 391.437 4.169 20 0 GIADMO COc1ccc(Cl)cc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176131685 823131668 /nfs/dbraw/zinc/13/16/68/823131668.db2.gz CBVJHDDZNWHBHV-OXQOHEQNSA-N 1 1 386.923 4.060 20 0 GIADMO CCCN(C(=O)N[C@H](C)c1nccn1CC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459127866 823132011 /nfs/dbraw/zinc/13/20/11/823132011.db2.gz XUDGSPAAGZGLHT-TZIWHRDSSA-N 1 1 397.567 4.050 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000176134563 823132225 /nfs/dbraw/zinc/13/22/25/823132225.db2.gz MCGBUIVAVIYNLK-OQIJWPOYSA-N 1 1 384.470 4.238 20 0 GIADMO Cc1cc(N2CCC(NC(=O)Nc3cccc(C4CCC4)c3)CC2)nc(C)[nH+]1 ZINC000571105133 823133005 /nfs/dbraw/zinc/13/30/05/823133005.db2.gz YVAGVGXLYHZHLD-UHFFFAOYSA-N 1 1 379.508 4.151 20 0 GIADMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000121179552 823133306 /nfs/dbraw/zinc/13/33/06/823133306.db2.gz QFXBKBMZGNGCJD-AEFFLSMTSA-N 1 1 376.460 4.148 20 0 GIADMO CC1=CC[N@@H+](CCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000571111907 823133872 /nfs/dbraw/zinc/13/38/72/823133872.db2.gz DMQIMJBJSYANNE-UHFFFAOYSA-N 1 1 387.483 4.390 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@H](C)c2nccnc2C)ccc1OCc1ccncc1 ZINC000187794210 823134459 /nfs/dbraw/zinc/13/44/59/823134459.db2.gz FXQLJLPFTPDCRF-NVXWUHKLSA-N 1 1 378.476 4.179 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)C1 ZINC000571122158 823135774 /nfs/dbraw/zinc/13/57/74/823135774.db2.gz ZWCHYTRIOUGEDB-PZJWPPBQSA-N 1 1 395.547 4.356 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(F)(F)[C@@H](C)C1 ZINC000571132626 823138463 /nfs/dbraw/zinc/13/84/63/823138463.db2.gz DGMRYUCNMSNHHQ-DLBZAZTESA-N 1 1 379.495 4.248 20 0 GIADMO Cn1cc(-c2nc([C@@H]3CCCCC[N@@H+]3Cc3cccc4ccoc43)no2)cn1 ZINC000571135126 823139056 /nfs/dbraw/zinc/13/90/56/823139056.db2.gz LPAIMZSISLPRSR-SFHVURJKSA-N 1 1 377.448 4.334 20 0 GIADMO Cn1cc(-c2nc([C@@H]3CCCCC[N@H+]3Cc3cccc4ccoc43)no2)cn1 ZINC000571135126 823139058 /nfs/dbraw/zinc/13/90/58/823139058.db2.gz LPAIMZSISLPRSR-SFHVURJKSA-N 1 1 377.448 4.334 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cn1 ZINC000056374033 823139156 /nfs/dbraw/zinc/13/91/56/823139156.db2.gz BCYGPQDEMZLEGY-FQEVSTJZSA-N 1 1 395.894 4.180 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000459194705 823141552 /nfs/dbraw/zinc/14/15/52/823141552.db2.gz GAMMSQIXAMIPTP-SIKLNZKXSA-N 1 1 380.536 4.147 20 0 GIADMO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000056393779 823142054 /nfs/dbraw/zinc/14/20/54/823142054.db2.gz FVNAPDYMAQVHHO-INIZCTEOSA-N 1 1 387.474 4.116 20 0 GIADMO COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459197562 823142130 /nfs/dbraw/zinc/14/21/30/823142130.db2.gz CQPDAAOBXWMTQB-FPOVZHCZSA-N 1 1 395.547 4.228 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)c2cncc(F)c2)c1 ZINC000459197135 823142157 /nfs/dbraw/zinc/14/21/57/823142157.db2.gz QVCXRAQJLPJCLO-HNNXBMFYSA-N 1 1 381.455 4.472 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCc2ccc(Br)s2)c2ncc[nH]2)cc1 ZINC000187837735 823143568 /nfs/dbraw/zinc/14/35/68/823143568.db2.gz IICWCNYYWFVUCQ-OAHLLOKOSA-N 1 1 380.286 4.295 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000571172952 823144144 /nfs/dbraw/zinc/14/41/44/823144144.db2.gz OCWRKLLPSBVBMJ-KGSLCBSSSA-N 1 1 378.516 4.076 20 0 GIADMO C[C@@H](CCCc1cccnc1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000459221289 823146792 /nfs/dbraw/zinc/14/67/92/823146792.db2.gz SQQCHUDSNWPRHA-LEWJYISDSA-N 1 1 394.563 4.099 20 0 GIADMO COc1cccc(SCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000176185992 823147897 /nfs/dbraw/zinc/14/78/97/823147897.db2.gz MRGOXCPWDBMZJB-OAHLLOKOSA-N 1 1 381.501 4.159 20 0 GIADMO COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000176186339 823148224 /nfs/dbraw/zinc/14/82/24/823148224.db2.gz DSMWTFZQPSNVIZ-JCSUNJAGSA-N 1 1 391.471 4.089 20 0 GIADMO C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000056443010 823150063 /nfs/dbraw/zinc/15/00/63/823150063.db2.gz BPJZTHRPQTWDHG-QGZVFWFLSA-N 1 1 385.552 4.085 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)NCC1(c2ccccc2)CCOCC1 ZINC000121263800 823150711 /nfs/dbraw/zinc/15/07/11/823150711.db2.gz OYVGBLNQURLFSH-OAQYLSRUSA-N 1 1 396.531 4.061 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1c1ccco1)NCC1(c2ccccc2)CCOCC1 ZINC000121263800 823150712 /nfs/dbraw/zinc/15/07/12/823150712.db2.gz OYVGBLNQURLFSH-OAQYLSRUSA-N 1 1 396.531 4.061 20 0 GIADMO Cc1cc(NC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)cn2cc[nH+]c12 ZINC000571229551 823152255 /nfs/dbraw/zinc/15/22/55/823152255.db2.gz IMWBIVQUOCXKBU-UHFFFAOYSA-N 1 1 396.516 4.170 20 0 GIADMO CC[C@H](NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)noc1C ZINC000121273425 823152775 /nfs/dbraw/zinc/15/27/75/823152775.db2.gz CHMMHOLMJBSSPL-YJYMSZOUSA-N 1 1 381.480 4.297 20 0 GIADMO Cc1nc(C(C)C)oc1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000571236311 823153065 /nfs/dbraw/zinc/15/30/65/823153065.db2.gz DQUNQFZSJTZARX-KRWDZBQOSA-N 1 1 375.900 4.327 20 0 GIADMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccccc1-c1ccccc1 ZINC000571255456 823156454 /nfs/dbraw/zinc/15/64/54/823156454.db2.gz VCXNJGKGSHOHLO-WWNPGLIZSA-N 1 1 378.516 4.308 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@H](COC(F)F)C2)cc1OCc1ccccc1 ZINC000571245981 823154954 /nfs/dbraw/zinc/15/49/54/823154954.db2.gz FOAOUCOZJGDGTK-SFHVURJKSA-N 1 1 377.431 4.335 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)co2)cc1 ZINC000571247792 823155326 /nfs/dbraw/zinc/15/53/26/823155326.db2.gz FWCBHUAPOPRCAH-OAQYLSRUSA-N 1 1 389.499 4.377 20 0 GIADMO O=C(C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccccc1C(F)(F)F ZINC000121287511 823155708 /nfs/dbraw/zinc/15/57/08/823155708.db2.gz VYRKITCGQXALKN-OAHLLOKOSA-N 1 1 380.385 4.348 20 0 GIADMO COc1ccc(F)cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187904508 823155816 /nfs/dbraw/zinc/15/58/16/823155816.db2.gz NBOPTQOWKBDRCA-DYESRHJHSA-N 1 1 399.510 4.029 20 0 GIADMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000176221692 823156004 /nfs/dbraw/zinc/15/60/04/823156004.db2.gz JTDOWZVVUQDIBX-MGPUTAFESA-N 1 1 396.512 4.459 20 0 GIADMO O=C(CC1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1)N1CCCC1 ZINC000459305789 823159021 /nfs/dbraw/zinc/15/90/21/823159021.db2.gz QKXXBDAEERZMQT-UHFFFAOYSA-N 1 1 399.760 4.327 20 0 GIADMO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000176234017 823159466 /nfs/dbraw/zinc/15/94/66/823159466.db2.gz CPYFLWCTRBGOHX-WBVHZDCISA-N 1 1 376.953 4.186 20 0 GIADMO CCCN1CCC([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459324327 823161402 /nfs/dbraw/zinc/16/14/02/823161402.db2.gz JPVQUIZKBAMGQU-UHFFFAOYSA-N 1 1 381.568 4.366 20 0 GIADMO CCCN1CCC([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459324327 823161408 /nfs/dbraw/zinc/16/14/08/823161408.db2.gz JPVQUIZKBAMGQU-UHFFFAOYSA-N 1 1 381.568 4.366 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)C1 ZINC000459311262 823159982 /nfs/dbraw/zinc/15/99/82/823159982.db2.gz NOJBFIYTMPUBOF-MRXNPFEDSA-N 1 1 381.923 4.042 20 0 GIADMO FC(F)(F)c1ccc(C[N@H+]2CCCN(Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459311679 823159998 /nfs/dbraw/zinc/15/99/98/823159998.db2.gz SEMYTTLUVNMYQI-UHFFFAOYSA-N 1 1 390.453 4.081 20 0 GIADMO NC(=O)CC[C@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)C1 ZINC000459317446 823160329 /nfs/dbraw/zinc/16/03/29/823160329.db2.gz AZWNXIZQHSEFQQ-FAZYEBOESA-N 1 1 378.516 4.256 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)ccc1O ZINC000459331132 823162673 /nfs/dbraw/zinc/16/26/73/823162673.db2.gz URMKQMTUIQCOGO-QGZVFWFLSA-N 1 1 397.450 4.360 20 0 GIADMO Cc1coc2ccc(NC(=O)N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc12 ZINC000187953471 823163051 /nfs/dbraw/zinc/16/30/51/823163051.db2.gz DMPAACXXFDKMBM-CALCHBBNSA-N 1 1 385.508 4.094 20 0 GIADMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(Cl)cc(Br)c3)C2)n1 ZINC000459333183 823163109 /nfs/dbraw/zinc/16/31/09/823163109.db2.gz IAFPIAHCVUPMGL-AWEZNQCLSA-N 1 1 397.748 4.223 20 0 GIADMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Br)c3)C2)n1 ZINC000459333183 823163114 /nfs/dbraw/zinc/16/31/14/823163114.db2.gz IAFPIAHCVUPMGL-AWEZNQCLSA-N 1 1 397.748 4.223 20 0 GIADMO CC[C@@H]1CN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC[N@H+]1C[C@H](C)O ZINC000459333278 823163121 /nfs/dbraw/zinc/16/31/21/823163121.db2.gz IISVEANUVPZJMU-ANTXHOMTSA-N 1 1 394.559 4.056 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(CC3(CSc4ccccc4)CC3)n1)OC2 ZINC000571328387 823166100 /nfs/dbraw/zinc/16/61/00/823166100.db2.gz ZJJNCYCXFCMZAR-YLJYHZDGSA-N 1 1 385.533 4.110 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc(CC3(CSc4ccccc4)CC3)n1)OC2 ZINC000571328387 823166105 /nfs/dbraw/zinc/16/61/05/823166105.db2.gz ZJJNCYCXFCMZAR-YLJYHZDGSA-N 1 1 385.533 4.110 20 0 GIADMO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(CC3(CSc4ccccc4)CC3)n1)OC2 ZINC000571328385 823166127 /nfs/dbraw/zinc/16/61/27/823166127.db2.gz ZJJNCYCXFCMZAR-XLIONFOSSA-N 1 1 385.533 4.110 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(CC3(CSc4ccccc4)CC3)n1)OC2 ZINC000571328385 823166131 /nfs/dbraw/zinc/16/61/31/823166131.db2.gz ZJJNCYCXFCMZAR-XLIONFOSSA-N 1 1 385.533 4.110 20 0 GIADMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335295 823163546 /nfs/dbraw/zinc/16/35/46/823163546.db2.gz GIYZORASHARSGL-HXUWFJFHSA-N 1 1 393.579 4.224 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccc(F)cc1F ZINC000121330952 823164714 /nfs/dbraw/zinc/16/47/14/823164714.db2.gz QOVVNXPYPOPQLN-LLVKDONJSA-N 1 1 396.821 4.069 20 0 GIADMO c1c(C[N@H+]2CCCC3(CCOCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459345572 823166753 /nfs/dbraw/zinc/16/67/53/823166753.db2.gz NRPHMXFUQBRDLY-UHFFFAOYSA-N 1 1 380.536 4.453 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccncc3C(F)(F)F)C2)s1 ZINC000571336776 823167060 /nfs/dbraw/zinc/16/70/60/823167060.db2.gz OXCXENWVLPNVEW-CQSZACIVSA-N 1 1 397.466 4.064 20 0 GIADMO C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000571339294 823167698 /nfs/dbraw/zinc/16/76/98/823167698.db2.gz NHCAFJTXNWRUKA-WWLQXVNKSA-N 1 1 394.506 4.265 20 0 GIADMO c1c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459349435 823167961 /nfs/dbraw/zinc/16/79/61/823167961.db2.gz XKCPWQANMBSAKM-IBGZPJMESA-N 1 1 380.536 4.309 20 0 GIADMO O=C(Nc1ccccc1SC(F)F)N1CC[NH+](CCc2cccs2)CC1 ZINC000056555738 823168939 /nfs/dbraw/zinc/16/89/39/823168939.db2.gz WKSREGYDPLSHJD-UHFFFAOYSA-N 1 1 397.516 4.455 20 0 GIADMO CCOC[C@@H]1CCCCN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000459352559 823168974 /nfs/dbraw/zinc/16/89/74/823168974.db2.gz HUKFXCYTFNQXPK-FQEVSTJZSA-N 1 1 384.524 4.478 20 0 GIADMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459354788 823169831 /nfs/dbraw/zinc/16/98/31/823169831.db2.gz SRSZOAUAZPAGPH-OAHLLOKOSA-N 1 1 386.330 4.335 20 0 GIADMO O=C(Nc1nc(C(F)(F)F)cs1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056568124 823171470 /nfs/dbraw/zinc/17/14/70/823171470.db2.gz RPNRUBTZKROEPR-UHFFFAOYSA-N 1 1 390.475 4.282 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000121375180 823172957 /nfs/dbraw/zinc/17/29/57/823172957.db2.gz BMFFLJLNAVNMAP-UHFFFAOYSA-N 1 1 388.458 4.084 20 0 GIADMO CSc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000121397584 823177313 /nfs/dbraw/zinc/17/73/13/823177313.db2.gz PKYGQAXRVAZURY-GOSISDBHSA-N 1 1 389.590 4.141 20 0 GIADMO CSc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000121397584 823177315 /nfs/dbraw/zinc/17/73/15/823177315.db2.gz PKYGQAXRVAZURY-GOSISDBHSA-N 1 1 389.590 4.141 20 0 GIADMO CC(C)c1c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1-c1ccccc1Cl ZINC000188042151 823176020 /nfs/dbraw/zinc/17/60/20/823176020.db2.gz JMWKQEFJXICFQX-HOTGVXAUSA-N 1 1 388.943 4.204 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000176299207 823176118 /nfs/dbraw/zinc/17/61/18/823176118.db2.gz AKNAPITXPNAGFA-UHFFFAOYSA-N 1 1 397.466 4.423 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccc(CCC(F)(F)F)cc1 ZINC000176299207 823176124 /nfs/dbraw/zinc/17/61/24/823176124.db2.gz AKNAPITXPNAGFA-UHFFFAOYSA-N 1 1 397.466 4.423 20 0 GIADMO C[C@@H]1CN(c2ccccc2CNCc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000459380909 823177796 /nfs/dbraw/zinc/17/77/96/823177796.db2.gz RAYMNSRLZJHZCL-OAQYLSRUSA-N 1 1 393.575 4.187 20 0 GIADMO Cc1cc(F)c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(Cl)c1 ZINC000459379611 823177975 /nfs/dbraw/zinc/17/79/75/823177975.db2.gz SNCVXOGLYJVDAZ-HUUCEWRRSA-N 1 1 377.891 4.086 20 0 GIADMO CCCC(=O)Nc1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459383419 823178783 /nfs/dbraw/zinc/17/87/83/823178783.db2.gz XYCUQLZOTJSPCT-UHFFFAOYSA-N 1 1 377.282 4.183 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384846 823179298 /nfs/dbraw/zinc/17/92/98/823179298.db2.gz YEAQHYSEJYKAHA-RXVVDRJESA-N 1 1 381.568 4.365 20 0 GIADMO CCN1CC[C@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384846 823179309 /nfs/dbraw/zinc/17/93/09/823179309.db2.gz YEAQHYSEJYKAHA-RXVVDRJESA-N 1 1 381.568 4.365 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C ZINC000459384846 823179311 /nfs/dbraw/zinc/17/93/11/823179311.db2.gz YEAQHYSEJYKAHA-RXVVDRJESA-N 1 1 381.568 4.365 20 0 GIADMO Cc1cc(C)n(-c2ccc(CNC3CC[NH+](C4CC4)CC3)c(C(F)(F)F)c2)n1 ZINC000459386872 823179978 /nfs/dbraw/zinc/17/99/78/823179978.db2.gz BSDLHBQJXIFGTA-UHFFFAOYSA-N 1 1 392.469 4.224 20 0 GIADMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000176316324 823180526 /nfs/dbraw/zinc/18/05/26/823180526.db2.gz HAGCGEJUFVGGMS-PKOBYXMFSA-N 1 1 387.524 4.043 20 0 GIADMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000176316324 823180530 /nfs/dbraw/zinc/18/05/30/823180530.db2.gz HAGCGEJUFVGGMS-PKOBYXMFSA-N 1 1 387.524 4.043 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000056611591 823180660 /nfs/dbraw/zinc/18/06/60/823180660.db2.gz PSMQQYFGXJFCTL-WMZHIEFXSA-N 1 1 392.547 4.360 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000056611644 823180990 /nfs/dbraw/zinc/18/09/90/823180990.db2.gz NRBVFAGBOSBFPO-JOCHJYFZSA-N 1 1 399.535 4.011 20 0 GIADMO C[C@H]1CN(c2ccccc2C[NH2+]Cc2nc3cc(Cl)ccc3s2)CCO1 ZINC000459390924 823181162 /nfs/dbraw/zinc/18/11/62/823181162.db2.gz UENNXCPBPNMWLH-AWEZNQCLSA-N 1 1 387.936 4.465 20 0 GIADMO COCc1cc(C[NH2+][C@H]2CCCc3nc(-c4ccc(OC)cc4)sc32)no1 ZINC000459391939 823181381 /nfs/dbraw/zinc/18/13/81/823181381.db2.gz ALHKKYKDRDTPGR-KRWDZBQOSA-N 1 1 385.489 4.120 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000056618778 823182357 /nfs/dbraw/zinc/18/23/57/823182357.db2.gz NDEAXAWSIDHVGS-UHFFFAOYSA-N 1 1 386.540 4.155 20 0 GIADMO CCOc1cc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)cc(Cl)c1O ZINC000459418983 823188596 /nfs/dbraw/zinc/18/85/96/823188596.db2.gz WQSPBZODIDIZRE-LLVKDONJSA-N 1 1 383.847 4.451 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)Cc3c[nH]c4cc(F)ccc34)c2)C[C@@H](C)O1 ZINC000121448455 823186332 /nfs/dbraw/zinc/18/63/32/823186332.db2.gz RUCCPMKRCLAOPK-HZPDHXFCSA-N 1 1 395.478 4.097 20 0 GIADMO O=c1cc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)nc(C2CC2)[nH]1 ZINC000459410125 823186756 /nfs/dbraw/zinc/18/67/56/823186756.db2.gz NOIPGPYRNTWTJI-IBGZPJMESA-N 1 1 380.879 4.182 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416439 823187913 /nfs/dbraw/zinc/18/79/13/823187913.db2.gz CEWXDGKFUIKGGT-LGVFNWMJSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416439 823187917 /nfs/dbraw/zinc/18/79/17/823187917.db2.gz CEWXDGKFUIKGGT-LGVFNWMJSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416439 823187921 /nfs/dbraw/zinc/18/79/21/823187921.db2.gz CEWXDGKFUIKGGT-LGVFNWMJSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416439 823187924 /nfs/dbraw/zinc/18/79/24/823187924.db2.gz CEWXDGKFUIKGGT-LGVFNWMJSA-N 1 1 393.575 4.054 20 0 GIADMO CC[C@@H](CNC(=O)Nc1cccnc1C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000571479997 823189015 /nfs/dbraw/zinc/18/90/15/823189015.db2.gz XQDKYXFRMWSQJD-INIZCTEOSA-N 1 1 392.425 4.059 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000459418427 823188209 /nfs/dbraw/zinc/18/82/09/823188209.db2.gz ADDUBCUPKZLFRF-LBPRGKRZSA-N 1 1 375.460 4.036 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000459454863 823195408 /nfs/dbraw/zinc/19/54/08/823195408.db2.gz CKOIQDGCVFJSOU-UHFFFAOYSA-N 1 1 379.504 4.265 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N(CCC(F)(F)F)CC1CC1)c1ccccc1Cl ZINC000176353658 823189908 /nfs/dbraw/zinc/18/99/08/823189908.db2.gz NNJJQBCKLVLFBI-INIZCTEOSA-N 1 1 391.865 4.317 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000571487019 823190251 /nfs/dbraw/zinc/19/02/51/823190251.db2.gz VUECXRDAEMHBKG-HCXYKTFWSA-N 1 1 389.971 4.030 20 0 GIADMO Cc1ccc(CN(CCc2c[nH+]cn2C)Cc2ccco2)c(Br)c1 ZINC000459435121 823191452 /nfs/dbraw/zinc/19/14/52/823191452.db2.gz OJBRCZMIXVFKBC-UHFFFAOYSA-N 1 1 388.309 4.329 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@@H]3CCOc4ccccc43)c2)C[C@H](C)O1 ZINC000121481967 823192201 /nfs/dbraw/zinc/19/22/01/823192201.db2.gz HTVYPQOJOPGINV-NSHGMRRFSA-N 1 1 394.515 4.191 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@@H]3CCOc4ccccc43)c2)C[C@H](C)O1 ZINC000121481967 823192205 /nfs/dbraw/zinc/19/22/05/823192205.db2.gz HTVYPQOJOPGINV-NSHGMRRFSA-N 1 1 394.515 4.191 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C3(c4ccccc4F)CC3)c2)C[C@H](C)O1 ZINC000121502149 823195683 /nfs/dbraw/zinc/19/56/83/823195683.db2.gz PFRIOXJPJSCZNZ-IRXDYDNUSA-N 1 1 382.479 4.105 20 0 GIADMO C[N@H+]1CCC[C@H](CNCc2cccc(O)c2Br)[C@H]1c1cccs1 ZINC000459441449 823192706 /nfs/dbraw/zinc/19/27/06/823192706.db2.gz VZSLTQWYRVNUCI-KDOFPFPSSA-N 1 1 395.366 4.389 20 0 GIADMO CC(=O)Nc1c(C)ccc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000056690466 823193604 /nfs/dbraw/zinc/19/36/04/823193604.db2.gz RFENFNYBOZHOBU-IYBDPMFKSA-N 1 1 388.556 4.141 20 0 GIADMO CCCCn1ccnc1-c1cccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459459196 823196434 /nfs/dbraw/zinc/19/64/34/823196434.db2.gz REVQPFUIBHMONO-SFHVURJKSA-N 1 1 383.540 4.204 20 0 GIADMO CC[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1c(C)noc1C ZINC000121508088 823197053 /nfs/dbraw/zinc/19/70/53/823197053.db2.gz UXMFOHTZKIWEKR-SXGZJXTBSA-N 1 1 385.508 4.033 20 0 GIADMO O=C(Nc1cc(F)ccc1OC(F)F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000121510050 823197383 /nfs/dbraw/zinc/19/73/83/823197383.db2.gz LVLCLSPEAXKVQM-UHFFFAOYSA-N 1 1 393.409 4.167 20 0 GIADMO OCCC[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000121512016 823197900 /nfs/dbraw/zinc/19/79/00/823197900.db2.gz JLCLORCZWOSVEQ-UHFFFAOYSA-N 1 1 383.517 4.062 20 0 GIADMO OCCC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000121512016 823197902 /nfs/dbraw/zinc/19/79/02/823197902.db2.gz JLCLORCZWOSVEQ-UHFFFAOYSA-N 1 1 383.517 4.062 20 0 GIADMO Cn1c2ccccc2nc1[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459466666 823198197 /nfs/dbraw/zinc/19/81/97/823198197.db2.gz OWTRSMIZIWMNGN-DEOSSOPVSA-N 1 1 397.526 4.316 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)C1 ZINC000188176390 823198183 /nfs/dbraw/zinc/19/81/83/823198183.db2.gz MDTDSODHRYLAMW-MRXNPFEDSA-N 1 1 375.513 4.170 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000188187600 823200511 /nfs/dbraw/zinc/20/05/11/823200511.db2.gz SGMAJTZIUINHGD-ZDUSSCGKSA-N 1 1 385.558 4.290 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000188187600 823200514 /nfs/dbraw/zinc/20/05/14/823200514.db2.gz SGMAJTZIUINHGD-ZDUSSCGKSA-N 1 1 385.558 4.290 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000188201087 823202520 /nfs/dbraw/zinc/20/25/20/823202520.db2.gz VBNCWGXJYMNSRA-SFHVURJKSA-N 1 1 393.531 4.258 20 0 GIADMO C[C@@H]1C[C@@H](CCNC(=O)c2ccoc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000571575360 823202666 /nfs/dbraw/zinc/20/26/66/823202666.db2.gz GJVRIVSIIUCZDG-GDBMZVCRSA-N 1 1 380.410 4.329 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)[nH+]c1 ZINC000176413529 823203089 /nfs/dbraw/zinc/20/30/89/823203089.db2.gz RWYNJBBSUQAMBJ-QFIPXVFZSA-N 1 1 378.520 4.199 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000176433770 823206719 /nfs/dbraw/zinc/20/67/19/823206719.db2.gz XTEKPGQOPQMRPQ-UHFFFAOYSA-N 1 1 397.504 4.107 20 0 GIADMO Cc1cnc([C@H](C)NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)s1 ZINC000176422006 823204858 /nfs/dbraw/zinc/20/48/58/823204858.db2.gz XDLNLGRWGVVNCG-RDJZCZTQSA-N 1 1 386.565 4.386 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@@H]1c1ccccc1 ZINC000571607772 823207985 /nfs/dbraw/zinc/20/79/85/823207985.db2.gz UQZYEQDSHMORDT-RDJZCZTQSA-N 1 1 384.348 4.159 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056761562 823208560 /nfs/dbraw/zinc/20/85/60/823208560.db2.gz ORGXTSVCYXCLKO-FQEVSTJZSA-N 1 1 399.560 4.164 20 0 GIADMO CCOc1cc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)cc(Cl)c1O ZINC000459514952 823209002 /nfs/dbraw/zinc/20/90/02/823209002.db2.gz DBGDGVLUWXIMJK-UHFFFAOYSA-N 1 1 380.275 4.274 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000056778418 823212366 /nfs/dbraw/zinc/21/23/66/823212366.db2.gz QDHHUALMJSXZKB-UHFFFAOYSA-N 1 1 392.528 4.468 20 0 GIADMO Brc1ccc(-c2c[nH]c(C[NH+]3CCC([C@@H]4CCCO4)CC3)n2)cc1 ZINC000188265684 823211178 /nfs/dbraw/zinc/21/11/78/823211178.db2.gz OGFKYSIPCPAQBM-SFHVURJKSA-N 1 1 390.325 4.230 20 0 GIADMO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](CCCN3CCCC3=O)C2)n1 ZINC000571626571 823211280 /nfs/dbraw/zinc/21/12/80/823211280.db2.gz YYTOWZAEJFQIKA-QGZVFWFLSA-N 1 1 399.560 4.011 20 0 GIADMO Cc1cc(C)c(NC(=O)C[NH+]2CCC3(CC2)OCCc2ccccc23)c(C)c1 ZINC000459533354 823213617 /nfs/dbraw/zinc/21/36/17/823213617.db2.gz VGLJAZYFKIAGCZ-UHFFFAOYSA-N 1 1 378.516 4.114 20 0 GIADMO CC[C@H]([NH2+]Cc1cccc(O)c1Br)c1ccc(OC)c(OC)c1 ZINC000459548976 823217981 /nfs/dbraw/zinc/21/79/81/823217981.db2.gz ZSQSJEXXOJUURE-AWEZNQCLSA-N 1 1 380.282 4.413 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cn1 ZINC000056812230 823218078 /nfs/dbraw/zinc/21/80/78/823218078.db2.gz QGIUCMFTOHTLQR-UHFFFAOYSA-N 1 1 379.807 4.136 20 0 GIADMO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000056792313 823215164 /nfs/dbraw/zinc/21/51/64/823215164.db2.gz PVNZNPYKZZVVLH-HXUWFJFHSA-N 1 1 394.519 4.261 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCc1cc(F)ccc1F ZINC000176473370 823216099 /nfs/dbraw/zinc/21/60/99/823216099.db2.gz DXBGEWHWYISUAL-UHFFFAOYSA-N 1 1 399.441 4.189 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCc1cc(F)ccc1F ZINC000176473370 823216103 /nfs/dbraw/zinc/21/61/03/823216103.db2.gz DXBGEWHWYISUAL-UHFFFAOYSA-N 1 1 399.441 4.189 20 0 GIADMO CN(Cc1ccccc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000459543546 823216212 /nfs/dbraw/zinc/21/62/12/823216212.db2.gz MPXKKOGYCHJJNN-IBGZPJMESA-N 1 1 380.536 4.176 20 0 GIADMO COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000121650788 823222831 /nfs/dbraw/zinc/22/28/31/823222831.db2.gz JSWSCTWYEGLCJZ-CABCVRRESA-N 1 1 396.466 4.450 20 0 GIADMO CC[N@@H+](C)CCNC(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000121626208 823218564 /nfs/dbraw/zinc/21/85/64/823218564.db2.gz BXBCRQGCANIDLR-LBPRGKRZSA-N 1 1 380.945 4.084 20 0 GIADMO CCOc1ccc(SCC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000409459949 823224415 /nfs/dbraw/zinc/22/44/15/823224415.db2.gz QVSDSGRISOIBKO-UHFFFAOYSA-N 1 1 399.491 4.127 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H]2CCCC[C@@H]2Oc2ccccc2C)cs1)C1CC1 ZINC000121662601 823225090 /nfs/dbraw/zinc/22/50/90/823225090.db2.gz RFXDCZUSFUBGEP-FPOVZHCZSA-N 1 1 399.560 4.447 20 0 GIADMO CN(C(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1)c1ccccc1 ZINC000459584042 823225302 /nfs/dbraw/zinc/22/53/02/823225302.db2.gz ALPLGTOZOQPRAT-GOSISDBHSA-N 1 1 388.309 4.034 20 0 GIADMO CN(C(=O)CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1)c1ccccc1 ZINC000459584042 823225304 /nfs/dbraw/zinc/22/53/04/823225304.db2.gz ALPLGTOZOQPRAT-GOSISDBHSA-N 1 1 388.309 4.034 20 0 GIADMO CCSc1cccc(Br)c1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000571724889 823225573 /nfs/dbraw/zinc/22/55/73/823225573.db2.gz RKYXFBMFIDELQA-VXGBXAGGSA-N 1 1 386.359 4.117 20 0 GIADMO CON1CCC([N@@H+](C)Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000459589578 823226048 /nfs/dbraw/zinc/22/60/48/823226048.db2.gz QUJQDCHAUZWEKW-UHFFFAOYSA-N 1 1 390.940 4.174 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(Br)c1OC(F)F)c1cncc(F)c1 ZINC000459617814 823230662 /nfs/dbraw/zinc/23/06/62/823230662.db2.gz DCIPYZCHRKGIDZ-VIFPVBQESA-N 1 1 375.188 4.435 20 0 GIADMO CCc1ccc(C(C)(C)CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000176535718 823231673 /nfs/dbraw/zinc/23/16/73/823231673.db2.gz HKYRFPZHSNQUBF-UHFFFAOYSA-N 1 1 399.604 4.320 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1cccnc1SCc1ccc(F)cc1)c1ccco1 ZINC000409489318 823233124 /nfs/dbraw/zinc/23/31/24/823233124.db2.gz ZCDGSXKFADXAAT-GOSISDBHSA-N 1 1 399.491 4.139 20 0 GIADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(F)c(Br)cc1Cl ZINC000571770501 823232525 /nfs/dbraw/zinc/23/25/25/823232525.db2.gz FPWNKVVFWJCDTC-SECBINFHSA-N 1 1 380.689 4.092 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459633158 823233258 /nfs/dbraw/zinc/23/32/58/823233258.db2.gz DKESZSIGYSUFQG-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459633158 823233263 /nfs/dbraw/zinc/23/32/63/823233263.db2.gz DKESZSIGYSUFQG-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO COc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1SC ZINC000459647479 823237815 /nfs/dbraw/zinc/23/78/15/823237815.db2.gz GARYNXUXOBOUQU-CYBMUJFWSA-N 1 1 391.562 4.047 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459633770 823233899 /nfs/dbraw/zinc/23/38/99/823233899.db2.gz FCGLNDUEYTYBKK-NVXWUHKLSA-N 1 1 384.442 4.003 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459633770 823233901 /nfs/dbraw/zinc/23/39/01/823233901.db2.gz FCGLNDUEYTYBKK-NVXWUHKLSA-N 1 1 384.442 4.003 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409511113 823237520 /nfs/dbraw/zinc/23/75/20/823237520.db2.gz VDSIJYVBZYLPQC-MJGOQNOKSA-N 1 1 390.531 4.083 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459640680 823235622 /nfs/dbraw/zinc/23/56/22/823235622.db2.gz XGAOTWRAQFRTRD-NEPJUHHUSA-N 1 1 393.940 4.280 20 0 GIADMO CCOc1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459640474 823235710 /nfs/dbraw/zinc/23/57/10/823235710.db2.gz LFLTUNYVQMIWSG-GOSISDBHSA-N 1 1 387.442 4.145 20 0 GIADMO COc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1SC ZINC000459647479 823237818 /nfs/dbraw/zinc/23/78/18/823237818.db2.gz GARYNXUXOBOUQU-CYBMUJFWSA-N 1 1 391.562 4.047 20 0 GIADMO Cc1cc(Br)cn2c(C[NH2+][C@H](C)c3nc4c(s3)CCC4)cnc12 ZINC000459642352 823235922 /nfs/dbraw/zinc/23/59/22/823235922.db2.gz BNGKJTGYKJNNIJ-LLVKDONJSA-N 1 1 391.338 4.201 20 0 GIADMO Cc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646955 823237684 /nfs/dbraw/zinc/23/76/84/823237684.db2.gz IZUPIQSGGDHXTA-LJQANCHMSA-N 1 1 393.453 4.362 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCc2nc3c(cccc3C)o2)cc1 ZINC000409507341 823236633 /nfs/dbraw/zinc/23/66/33/823236633.db2.gz ISWOWPDAMZOHDN-UHFFFAOYSA-N 1 1 379.504 4.341 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC12CCOCC2 ZINC000459648995 823238454 /nfs/dbraw/zinc/23/84/54/823238454.db2.gz LJFNUHCAEKXOMH-HNNXBMFYSA-N 1 1 385.455 4.319 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)CC12CCOCC2 ZINC000459652849 823239856 /nfs/dbraw/zinc/23/98/56/823239856.db2.gz QXHVNCFVEPAJNR-LSDHHAIUSA-N 1 1 390.471 4.176 20 0 GIADMO Fc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ncc[nH]2)cc1 ZINC000188435411 823240304 /nfs/dbraw/zinc/24/03/04/823240304.db2.gz IVGYKSJONGNDGR-DNVCBOLYSA-N 1 1 388.849 4.299 20 0 GIADMO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c2ccccc2n1 ZINC000571829987 823241237 /nfs/dbraw/zinc/24/12/37/823241237.db2.gz ROAUQYCJQLUGBV-NTKDMRAZSA-N 1 1 388.515 4.432 20 0 GIADMO C[C@H]1C[C@H](NC(=O)CSc2nc3ccccc3o2)CC[N@H+]1Cc1ccccc1 ZINC000176581410 823241461 /nfs/dbraw/zinc/24/14/61/823241461.db2.gz HHOCPSQYHAGTJO-FUHWJXTLSA-N 1 1 395.528 4.089 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)no2)cc1 ZINC000121751821 823243164 /nfs/dbraw/zinc/24/31/64/823243164.db2.gz OMXPWJRVNNWDPS-MJGOQNOKSA-N 1 1 397.475 4.207 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)no2)cc1 ZINC000121751821 823243169 /nfs/dbraw/zinc/24/31/69/823243169.db2.gz OMXPWJRVNNWDPS-MJGOQNOKSA-N 1 1 397.475 4.207 20 0 GIADMO C[C@@H]1CCN(C(=O)C[NH+]2CCC(C3CCOCC3)CC2)c2ccccc2S1 ZINC000571862421 823247433 /nfs/dbraw/zinc/24/74/33/823247433.db2.gz MVQIATWWCIIPEE-QGZVFWFLSA-N 1 1 388.577 4.043 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3ccccn3)cc2)[C@@H](C)C1 ZINC000571844174 823244051 /nfs/dbraw/zinc/24/40/51/823244051.db2.gz DZINQDHYDXEWHB-GHTZIAJQSA-N 1 1 396.535 4.007 20 0 GIADMO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459663436 823244694 /nfs/dbraw/zinc/24/46/94/823244694.db2.gz OPPVLCWFJWKXPV-INIZCTEOSA-N 1 1 386.458 4.440 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459664784 823245000 /nfs/dbraw/zinc/24/50/00/823245000.db2.gz PZZMNIMRFKHCPR-CRAIPNDOSA-N 1 1 398.469 4.257 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459664784 823245005 /nfs/dbraw/zinc/24/50/05/823245005.db2.gz PZZMNIMRFKHCPR-CRAIPNDOSA-N 1 1 398.469 4.257 20 0 GIADMO COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)oc1C ZINC000459669942 823246880 /nfs/dbraw/zinc/24/68/80/823246880.db2.gz VDPDTLQQDCNHKH-WBMJQRKESA-N 1 1 389.414 4.117 20 0 GIADMO COc1ccc(C[N@H+](Cn2nc(-c3ccco3)n(C)c2=S)[C@@H](C)C2CC2)cc1 ZINC000057100211 823249353 /nfs/dbraw/zinc/24/93/53/823249353.db2.gz WWKHBVOLBOMVLF-HNNXBMFYSA-N 1 1 398.532 4.478 20 0 GIADMO COc1ccc(C[N@@H+](Cn2nc(-c3ccco3)n(C)c2=S)[C@@H](C)C2CC2)cc1 ZINC000057100211 823249355 /nfs/dbraw/zinc/24/93/55/823249355.db2.gz WWKHBVOLBOMVLF-HNNXBMFYSA-N 1 1 398.532 4.478 20 0 GIADMO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000176617795 823250260 /nfs/dbraw/zinc/25/02/60/823250260.db2.gz XOFWHBUAXGKDIE-DOTOQJQBSA-N 1 1 388.581 4.237 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000057118135 823250537 /nfs/dbraw/zinc/25/05/37/823250537.db2.gz QHGUMFFWMXSECO-AWEZNQCLSA-N 1 1 383.883 4.132 20 0 GIADMO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000057131315 823253231 /nfs/dbraw/zinc/25/32/31/823253231.db2.gz HICDNALXTQLWFI-OALUTQOASA-N 1 1 391.437 4.254 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)Nc1cc(Cl)ccc1F ZINC000121797129 823253398 /nfs/dbraw/zinc/25/33/98/823253398.db2.gz YIPFKJBUBJZYAZ-YJBOKZPZSA-N 1 1 394.874 4.379 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)Nc1cc(Cl)ccc1F ZINC000121797129 823253403 /nfs/dbraw/zinc/25/34/03/823253403.db2.gz YIPFKJBUBJZYAZ-YJBOKZPZSA-N 1 1 394.874 4.379 20 0 GIADMO O=C(N[C@@H](CC(F)(F)F)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057131606 823253487 /nfs/dbraw/zinc/25/34/87/823253487.db2.gz WXECTBRAACIWRG-IBGZPJMESA-N 1 1 391.437 4.208 20 0 GIADMO CN(C(=O)c1ccc(NC/C=C\c2ccc(F)c(F)c2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000571923935 823254865 /nfs/dbraw/zinc/25/48/65/823254865.db2.gz HMURXWPJFNTDKK-BOYDRYHPSA-N 1 1 399.485 4.256 20 0 GIADMO Brc1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)co2)cc1 ZINC000459718768 823256245 /nfs/dbraw/zinc/25/62/45/823256245.db2.gz NDPZUGCJVOJARA-SJORKVTESA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)co2)cc1 ZINC000459718768 823256249 /nfs/dbraw/zinc/25/62/49/823256249.db2.gz NDPZUGCJVOJARA-SJORKVTESA-N 1 1 389.293 4.105 20 0 GIADMO CCCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1OCC ZINC000459742069 823259152 /nfs/dbraw/zinc/25/91/52/823259152.db2.gz FQAATXFIJAZSIA-ZDUSSCGKSA-N 1 1 396.329 4.221 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459758541 823261332 /nfs/dbraw/zinc/26/13/32/823261332.db2.gz IIWDLGGPLMYQFW-GOSISDBHSA-N 1 1 383.511 4.236 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000176668694 823262678 /nfs/dbraw/zinc/26/26/78/823262678.db2.gz GWLPLTRUHKQRDT-MRXNPFEDSA-N 1 1 397.523 4.248 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000459783838 823264691 /nfs/dbraw/zinc/26/46/91/823264691.db2.gz VZOLFYBBFXZBGP-QFBILLFUSA-N 1 1 399.560 4.449 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572010573 823268900 /nfs/dbraw/zinc/26/89/00/823268900.db2.gz COIAETHFNMCIMP-IBGZPJMESA-N 1 1 376.460 4.046 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459793577 823265562 /nfs/dbraw/zinc/26/55/62/823265562.db2.gz LDRVMZZEGKWGHJ-QANKJYHBSA-N 1 1 375.513 4.278 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459793577 823265565 /nfs/dbraw/zinc/26/55/65/823265565.db2.gz LDRVMZZEGKWGHJ-QANKJYHBSA-N 1 1 375.513 4.278 20 0 GIADMO C[C@H](C[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1)C(=O)OC(C)(C)C ZINC000459807114 823266209 /nfs/dbraw/zinc/26/62/09/823266209.db2.gz NKYMBYRONCICFC-CYBMUJFWSA-N 1 1 391.537 4.087 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1)C(=O)OC(C)(C)C ZINC000459807114 823266212 /nfs/dbraw/zinc/26/62/12/823266212.db2.gz NKYMBYRONCICFC-CYBMUJFWSA-N 1 1 391.537 4.087 20 0 GIADMO C[NH+](C)[C@@H](C(=O)N[C@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1 ZINC000409643309 823271337 /nfs/dbraw/zinc/27/13/37/823271337.db2.gz BGJABAQIMIXTMS-FUHWJXTLSA-N 1 1 378.900 4.435 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000409643929 823271660 /nfs/dbraw/zinc/27/16/60/823271660.db2.gz HDFXORYMWODHAZ-HZPDHXFCSA-N 1 1 377.916 4.410 20 0 GIADMO O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000121896975 823272329 /nfs/dbraw/zinc/27/23/29/823272329.db2.gz KZEGQRWARNFDDB-AVRDEDQJSA-N 1 1 381.495 4.081 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000409647113 823272815 /nfs/dbraw/zinc/27/28/15/823272815.db2.gz YSXNWKBYIRRAEB-ROUUACIJSA-N 1 1 377.916 4.410 20 0 GIADMO Cc1ccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)c(OCC(F)(F)F)c1 ZINC000409651574 823274381 /nfs/dbraw/zinc/27/43/81/823274381.db2.gz JAWMAFCMWZLKND-UHFFFAOYSA-N 1 1 395.425 4.190 20 0 GIADMO CC1=NN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc2)CC1 ZINC000176724058 823278115 /nfs/dbraw/zinc/27/81/15/823278115.db2.gz RTGLBNKTRUBGMM-SIKLNZKXSA-N 1 1 390.531 4.056 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@@H]3c4cccc(F)c4CC[C@@H]3C)CC2)[nH+]c1 ZINC000176733467 823280443 /nfs/dbraw/zinc/28/04/43/823280443.db2.gz ILZLKNYVQSFDNA-AOMKIAJQSA-N 1 1 381.495 4.185 20 0 GIADMO Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H]4CCC[N@H+]4Cc4ccccc43)cc2)n1 ZINC000460021475 823279852 /nfs/dbraw/zinc/27/98/52/823279852.db2.gz KDBKDKFDAROLGF-QFIPXVFZSA-N 1 1 386.499 4.114 20 0 GIADMO CC(C)c1csc(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000121909962 823275267 /nfs/dbraw/zinc/27/52/67/823275267.db2.gz CVEHMMKVSSEKQN-SFHVURJKSA-N 1 1 386.565 4.073 20 0 GIADMO Cc1nc(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)cs1 ZINC000057286033 823275895 /nfs/dbraw/zinc/27/58/95/823275895.db2.gz HDOCAOBSPYMVAL-UHFFFAOYSA-N 1 1 386.565 4.215 20 0 GIADMO CCCOc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000409662157 823276934 /nfs/dbraw/zinc/27/69/34/823276934.db2.gz FQLSSPFNBSSELQ-UHFFFAOYSA-N 1 1 382.439 4.430 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)nc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176723089 823277281 /nfs/dbraw/zinc/27/72/81/823277281.db2.gz YQLBLVKGOKVHES-HIFRSBDPSA-N 1 1 378.303 4.171 20 0 GIADMO CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000176723567 823277711 /nfs/dbraw/zinc/27/77/11/823277711.db2.gz IZDOBELXAPCZAL-DOTOQJQBSA-N 1 1 386.927 4.036 20 0 GIADMO FC(F)(F)c1nn(CN2CCC[N@@H+](CC3CCCCC3)CC2)c(=S)s1 ZINC000188655118 823281268 /nfs/dbraw/zinc/28/12/68/823281268.db2.gz DQQMYIYPLKEJTC-UHFFFAOYSA-N 1 1 394.532 4.238 20 0 GIADMO Cc1ncc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C2CC2)n1 ZINC000572100990 823283467 /nfs/dbraw/zinc/28/34/67/823283467.db2.gz HSSVAYPWJJGVTO-INIZCTEOSA-N 1 1 393.535 4.216 20 0 GIADMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000409701325 823285871 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XXEYIGNGBLDILC-MRXNPFEDSA-N 1 1 385.895 4.372 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(C)C)cc2)c1 ZINC000007292273 817811615 /nfs/dbraw/zinc/81/16/15/817811615.db2.gz MKXNAPGZUZVBTE-UHFFFAOYSA-N 1 1 395.547 4.363 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)cc2)c1 ZINC000007292273 817811622 /nfs/dbraw/zinc/81/16/22/817811622.db2.gz MKXNAPGZUZVBTE-UHFFFAOYSA-N 1 1 395.547 4.363 20 0 GIADMO CC(C)(C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1Br ZINC000409721317 823290701 /nfs/dbraw/zinc/29/07/01/823290701.db2.gz PLOYDXCIGWCXJF-UHFFFAOYSA-N 1 1 393.369 4.204 20 0 GIADMO CCOC(=O)c1c(C)oc2nc(C[NH2+][C@H](CC(C)C)c3ccccc3)nc(N)c21 ZINC000007364142 817824707 /nfs/dbraw/zinc/82/47/07/817824707.db2.gz KLHXIHWFTZFQLS-MRXNPFEDSA-N 1 1 396.491 4.167 20 0 GIADMO CCOC(=O)c1c(C)oc2nc(C[NH2+][C@@H](CC(C)C)c3ccccc3)nc(N)c21 ZINC000007364136 817824850 /nfs/dbraw/zinc/82/48/50/817824850.db2.gz KLHXIHWFTZFQLS-INIZCTEOSA-N 1 1 396.491 4.167 20 0 GIADMO 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NDPAFRIMDJRPOA-OAHLLOKOSA-N 1 1 398.557 4.426 20 0 GIADMO Cc1cccc(C([NH2+]Cc2cc(=O)n3cccc(C)c3n2)c2cccc(C)c2)c1 ZINC000176885827 823317644 /nfs/dbraw/zinc/31/76/44/823317644.db2.gz VEEYIQRYHMQBSE-UHFFFAOYSA-N 1 1 383.495 4.499 20 0 GIADMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(F)c(F)c1 ZINC000460210721 823318422 /nfs/dbraw/zinc/31/84/22/823318422.db2.gz OBGJUUSHAYDQJR-ZUEVXXBESA-N 1 1 378.488 4.329 20 0 GIADMO O=C(c1ccc(Cl)cc1)C1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000188865903 823319617 /nfs/dbraw/zinc/31/96/17/823319617.db2.gz NNHBAKBSVHBRSI-UHFFFAOYSA-N 1 1 381.797 4.152 20 0 GIADMO CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000126486258 823881018 /nfs/dbraw/zinc/88/10/18/823881018.db2.gz GZTOIWTWAZPMSG-JTQLQIEISA-N 1 1 379.751 4.114 20 0 GIADMO C[C@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000409837864 823321363 /nfs/dbraw/zinc/32/13/63/823321363.db2.gz TXPPUNIZFFGMTB-JTQLQIEISA-N 1 1 376.280 4.387 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccc(Cl)c(Cl)c1 ZINC000409837865 823321409 /nfs/dbraw/zinc/32/14/09/823321409.db2.gz TXPPUNIZFFGMTB-SNVBAGLBSA-N 1 1 376.280 4.387 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000409844336 823323211 /nfs/dbraw/zinc/32/32/11/823323211.db2.gz MDHXEWYEBZHSTD-MRXNPFEDSA-N 1 1 395.385 4.211 20 0 GIADMO CCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000460226143 823323230 /nfs/dbraw/zinc/32/32/30/823323230.db2.gz IZCFOHIUCSAFMX-UHFFFAOYSA-N 1 1 397.567 4.066 20 0 GIADMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014729237 818262760 /nfs/dbraw/zinc/26/27/60/818262760.db2.gz ZNSFELQTVGJDRJ-KNEUKCCGSA-N 1 1 394.559 4.055 20 0 GIADMO CN(C)C(=O)Sc1ccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000176926297 823325720 /nfs/dbraw/zinc/32/57/20/823325720.db2.gz ODOPBMHPKUKOJB-OAQYLSRUSA-N 1 1 384.545 4.332 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000015144209 818295166 /nfs/dbraw/zinc/29/51/66/818295166.db2.gz PWEVVNWZLJNYBT-AWEZNQCLSA-N 1 1 391.309 4.225 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 ZINC000015144209 818295174 /nfs/dbraw/zinc/29/51/74/818295174.db2.gz PWEVVNWZLJNYBT-AWEZNQCLSA-N 1 1 391.309 4.225 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000409857431 823327718 /nfs/dbraw/zinc/32/77/18/823327718.db2.gz LCPXPBHZWGNWRE-LLVKDONJSA-N 1 1 375.387 4.099 20 0 GIADMO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000015300276 818309198 /nfs/dbraw/zinc/30/91/98/818309198.db2.gz QFLJPVVETRBDPB-ZDUSSCGKSA-N 1 1 380.460 4.469 20 0 GIADMO CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000015300276 818309203 /nfs/dbraw/zinc/30/92/03/818309203.db2.gz QFLJPVVETRBDPB-ZDUSSCGKSA-N 1 1 380.460 4.469 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1Cl ZINC000409857597 823327967 /nfs/dbraw/zinc/32/79/67/823327967.db2.gz NIOCIKVDAFMHDE-SJCJKPOMSA-N 1 1 379.287 4.284 20 0 GIADMO C[C@@H](NC(=O)N1CCC(c2ccsc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000188919796 823328452 /nfs/dbraw/zinc/32/84/52/823328452.db2.gz MRQRAJUTTAHZAU-SJLPKXTDSA-N 1 1 375.582 4.290 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc3ccc(=O)[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000572370112 823328643 /nfs/dbraw/zinc/32/86/43/823328643.db2.gz FJIGUDYXSJQUSC-YLJYHZDGSA-N 1 1 389.499 4.066 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)cc1 ZINC000015440722 818326197 /nfs/dbraw/zinc/32/61/97/818326197.db2.gz HBIJCQJUHPYXMJ-HSZRJFAPSA-N 1 1 394.540 4.403 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)cc1 ZINC000015440722 818326204 /nfs/dbraw/zinc/32/62/04/818326204.db2.gz HBIJCQJUHPYXMJ-HSZRJFAPSA-N 1 1 394.540 4.403 20 0 GIADMO COc1cc2ccccc2cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477259 818327559 /nfs/dbraw/zinc/32/75/59/818327559.db2.gz GRWRHDUDHZHDQN-HXUWFJFHSA-N 1 1 378.472 4.398 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C(=O)N1CC(=O)Nc2ccccc21 ZINC000015489096 818329029 /nfs/dbraw/zinc/32/90/29/818329029.db2.gz LBCLINCUWUWPDW-RYUDHWBXSA-N 1 1 392.286 4.018 20 0 GIADMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000015547559 818336836 /nfs/dbraw/zinc/33/68/36/818336836.db2.gz VVWGHEZLWOOEFO-QGZVFWFLSA-N 1 1 394.487 4.018 20 0 GIADMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000015547559 818336846 /nfs/dbraw/zinc/33/68/46/818336846.db2.gz VVWGHEZLWOOEFO-QGZVFWFLSA-N 1 1 394.487 4.018 20 0 GIADMO CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000176938873 823329484 /nfs/dbraw/zinc/32/94/84/823329484.db2.gz WZOSYIYPTUEBGH-RTBURBONSA-N 1 1 393.622 4.421 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1Cl ZINC000015787793 818367109 /nfs/dbraw/zinc/36/71/09/818367109.db2.gz VKNLDDITKSAXIS-FLVLSHQESA-N 1 1 385.920 4.382 20 0 GIADMO Cc1cccn2cc(COc3ccc(C[NH2+]Cc4ccn(C(C)C)n4)cc3)nc12 ZINC000572389895 823331409 /nfs/dbraw/zinc/33/14/09/823331409.db2.gz NHGLROFUYQRMOM-UHFFFAOYSA-N 1 1 389.503 4.289 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000176968590 823337778 /nfs/dbraw/zinc/33/77/78/823337778.db2.gz SBNQCCNDCNIGRH-FPOVZHCZSA-N 1 1 392.547 4.461 20 0 GIADMO C[C@H](c1nn(CN2CCC(C)CC2)c(=S)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000016080944 818389802 /nfs/dbraw/zinc/38/98/02/818389802.db2.gz JZFSFMIEVDYJED-OAHLLOKOSA-N 1 1 393.988 4.369 20 0 GIADMO C[C@@H](NC(=O)Cn1c[nH+]c2c1CCCC2)c1ccccc1Oc1ccccc1 ZINC000572410980 823334477 /nfs/dbraw/zinc/33/44/77/823334477.db2.gz YEYKAROVOFMMEB-QGZVFWFLSA-N 1 1 375.472 4.432 20 0 GIADMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000016372715 818429909 /nfs/dbraw/zinc/42/99/09/818429909.db2.gz LTKCNDIHUSMUNI-UHFFFAOYSA-N 1 1 386.801 4.308 20 0 GIADMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000016372715 818429912 /nfs/dbraw/zinc/42/99/12/818429912.db2.gz LTKCNDIHUSMUNI-UHFFFAOYSA-N 1 1 386.801 4.308 20 0 GIADMO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000572419483 823336446 /nfs/dbraw/zinc/33/64/46/823336446.db2.gz SEQALXRWFJFAFJ-JOCHJYFZSA-N 1 1 394.515 4.268 20 0 GIADMO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000572419484 823336546 /nfs/dbraw/zinc/33/65/46/823336546.db2.gz SEQALXRWFJFAFJ-QFIPXVFZSA-N 1 1 394.515 4.268 20 0 GIADMO CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000016421729 818441013 /nfs/dbraw/zinc/44/10/13/818441013.db2.gz HMKQTTAOZCYFIY-AWEZNQCLSA-N 1 1 378.925 4.400 20 0 GIADMO CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000016421729 818441020 /nfs/dbraw/zinc/44/10/20/818441020.db2.gz HMKQTTAOZCYFIY-AWEZNQCLSA-N 1 1 378.925 4.400 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[N@@H+](CC)Cc3ccccc3)cc(=O)oc2c1 ZINC000016483123 818448576 /nfs/dbraw/zinc/44/85/76/818448576.db2.gz KSWNQGDBLKIMQV-UHFFFAOYSA-N 1 1 380.444 4.384 20 0 GIADMO O=C(Nc1ccccc1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000016500916 818449842 /nfs/dbraw/zinc/44/98/42/818449842.db2.gz SZXWQRVPYQXWQH-UHFFFAOYSA-N 1 1 377.410 4.445 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(F)c(Cl)nc1Cl ZINC000057825607 823338324 /nfs/dbraw/zinc/33/83/24/823338324.db2.gz SFWPUWWLSDETFJ-ZDUSSCGKSA-N 1 1 386.254 4.078 20 0 GIADMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000057862667 823342915 /nfs/dbraw/zinc/34/29/15/823342915.db2.gz JOTVEJMUDCRWHB-AWEZNQCLSA-N 1 1 380.533 4.230 20 0 GIADMO CC[N@@H+]1CC[C@H](NC(=O)CCCC2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409896762 823338454 /nfs/dbraw/zinc/33/84/54/823338454.db2.gz LLPUYDAZVTWUGG-PZJWPPBQSA-N 1 1 396.934 4.328 20 0 GIADMO CC[N@H+]1CC[C@H](NC(=O)CCCC2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409896762 823338458 /nfs/dbraw/zinc/33/84/58/823338458.db2.gz LLPUYDAZVTWUGG-PZJWPPBQSA-N 1 1 396.934 4.328 20 0 GIADMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000122331580 823339474 /nfs/dbraw/zinc/33/94/74/823339474.db2.gz QYHQDNXLUGAYRS-BLLLJJGKSA-N 1 1 393.434 4.358 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2Cn2c3ccc(Cl)cc3oc2=O)c(OC)c1 ZINC000016874460 818485710 /nfs/dbraw/zinc/48/57/10/818485710.db2.gz DEPMZNCOPYAYBG-MRXNPFEDSA-N 1 1 388.851 4.060 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2Cn2c3ccc(Cl)cc3oc2=O)c(OC)c1 ZINC000016874460 818485716 /nfs/dbraw/zinc/48/57/16/818485716.db2.gz DEPMZNCOPYAYBG-MRXNPFEDSA-N 1 1 388.851 4.060 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057844000 823340454 /nfs/dbraw/zinc/34/04/54/823340454.db2.gz QFOHHJWJAHREIM-OAQYLSRUSA-N 1 1 393.575 4.474 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057844000 823340457 /nfs/dbraw/zinc/34/04/57/823340457.db2.gz QFOHHJWJAHREIM-OAQYLSRUSA-N 1 1 393.575 4.474 20 0 GIADMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)c2cc1C ZINC000017306128 818507059 /nfs/dbraw/zinc/50/70/59/818507059.db2.gz SEJFVPBDOMPRHG-QGZVFWFLSA-N 1 1 388.471 4.184 20 0 GIADMO CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460288948 823341337 /nfs/dbraw/zinc/34/13/37/823341337.db2.gz LOOYFGNPNUAFJU-SFHVURJKSA-N 1 1 395.576 4.051 20 0 GIADMO CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000017313535 818508770 /nfs/dbraw/zinc/50/87/70/818508770.db2.gz CQJFEFGUEFRFQD-UHFFFAOYSA-N 1 1 390.531 4.122 20 0 GIADMO CC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000017313535 818508777 /nfs/dbraw/zinc/50/87/77/818508777.db2.gz CQJFEFGUEFRFQD-UHFFFAOYSA-N 1 1 390.531 4.122 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(F)c(F)cc1F ZINC000176982027 823341787 /nfs/dbraw/zinc/34/17/87/823341787.db2.gz ZNMZGROMGIWDHO-OAHLLOKOSA-N 1 1 392.425 4.017 20 0 GIADMO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)cc1OCC ZINC000057875599 823343846 /nfs/dbraw/zinc/34/38/46/823343846.db2.gz KCYTXCNTTXSVSN-CQSZACIVSA-N 1 1 376.884 4.427 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(-n3cccn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176990838 823344173 /nfs/dbraw/zinc/34/41/73/823344173.db2.gz YFDKAHGDXOBURX-RXVVDRJESA-N 1 1 389.503 4.047 20 0 GIADMO C[N@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000057944551 823349419 /nfs/dbraw/zinc/34/94/19/823349419.db2.gz BNMHWXAUIISIAK-GFCCVEGCSA-N 1 1 390.730 4.036 20 0 GIADMO Cc1cc(NC(=O)CC2CC(F)(F)C2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000572472074 823346248 /nfs/dbraw/zinc/34/62/48/823346248.db2.gz TWVAESWLUMWBQF-GOSISDBHSA-N 1 1 388.462 4.012 20 0 GIADMO CC[NH+](CC)Cc1cccc(CNCc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189051609 823348870 /nfs/dbraw/zinc/34/88/70/823348870.db2.gz VUHOKSYSLVURCA-UHFFFAOYSA-N 1 1 380.511 4.202 20 0 GIADMO O=C(c1cnccc1Oc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000409952515 823352196 /nfs/dbraw/zinc/35/21/96/823352196.db2.gz WZHREJYRIMVMGA-OYRHEFFESA-N 1 1 399.494 4.078 20 0 GIADMO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c(OC)c1 ZINC000020544737 818625169 /nfs/dbraw/zinc/62/51/69/818625169.db2.gz QVMGWLVOPZKVHT-UHFFFAOYSA-N 1 1 397.519 4.177 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000572520884 823352806 /nfs/dbraw/zinc/35/28/06/823352806.db2.gz RMTCGYYIFDKJRK-IBGZPJMESA-N 1 1 383.385 4.151 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCCSc2ccc(C)cc2)cc1 ZINC000020947575 818642442 /nfs/dbraw/zinc/64/24/42/818642442.db2.gz ZTMCFNKIZXXOON-NRFANRHFSA-N 1 1 384.545 4.049 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCCSc2ccc(C)cc2)cc1 ZINC000020947575 818642445 /nfs/dbraw/zinc/64/24/45/818642445.db2.gz ZTMCFNKIZXXOON-NRFANRHFSA-N 1 1 384.545 4.049 20 0 GIADMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1nc(-c2ccccc2F)no1)c1ccco1 ZINC000189082596 823354656 /nfs/dbraw/zinc/35/46/56/823354656.db2.gz GMQSJIBIXGNGSS-YJBOKZPZSA-N 1 1 385.439 4.337 20 0 GIADMO FC(F)(F)c1csc([C@H]2CCC[N@@H+](CCCO[C@@H]3CCCCO3)C2)n1 ZINC000572499779 823350184 /nfs/dbraw/zinc/35/01/84/823350184.db2.gz DFKIFNRXYIWMKK-DZGCQCFKSA-N 1 1 378.460 4.275 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCn3ccc4ccccc43)C2)s1 ZINC000572502822 823350865 /nfs/dbraw/zinc/35/08/65/823350865.db2.gz HAKZFSFHDLMLLS-LJQANCHMSA-N 1 1 395.572 4.382 20 0 GIADMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)C1 ZINC000177039186 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4.049 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189113888 823359769 /nfs/dbraw/zinc/35/97/69/823359769.db2.gz QWESHULMUJZZND-NEPJUHHUSA-N 1 1 384.465 4.057 20 0 GIADMO C[N@@H+](Cc1ccccc1NCC(=O)NCc1ccc(F)cc1)C1CCCCC1 ZINC000021892204 818752125 /nfs/dbraw/zinc/75/21/25/818752125.db2.gz NVCMXXOHKIXLNS-UHFFFAOYSA-N 1 1 383.511 4.319 20 0 GIADMO COc1ccccc1CNC(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000021892155 818752191 /nfs/dbraw/zinc/75/21/91/818752191.db2.gz OHMFZUPIXXMOSP-UHFFFAOYSA-N 1 1 395.547 4.188 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177065792 823362898 /nfs/dbraw/zinc/36/28/98/823362898.db2.gz GWNLFFYIMRFZRC-QWXGXRTQSA-N 1 1 390.574 4.391 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000177065792 823362903 /nfs/dbraw/zinc/36/29/03/823362903.db2.gz GWNLFFYIMRFZRC-QWXGXRTQSA-N 1 1 390.574 4.391 20 0 GIADMO COc1cc(C[N@@H+](C)Cn2cnc3cc(C)c(C)cc32)ccc1OC(F)F 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CC[N@H+]1CCCN(c2nnc(-c3sccc3C)n2CCc2ccccc2)CC1 ZINC000460461297 823397610 /nfs/dbraw/zinc/39/76/10/823397610.db2.gz SNYSXELVPJMCLU-UHFFFAOYSA-N 1 1 395.576 4.090 20 0 GIADMO O=C(O[C@@H]1CCc2cccnc21)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000189343149 823397912 /nfs/dbraw/zinc/39/79/12/823397912.db2.gz LLXYPLBGGDWKEG-XLIONFOSSA-N 1 1 390.405 4.067 20 0 GIADMO Fc1ccccc1-n1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000189350378 823399142 /nfs/dbraw/zinc/39/91/42/823399142.db2.gz NIBKALBKQZUXJV-JOCHJYFZSA-N 1 1 379.435 4.024 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000177223669 823403481 /nfs/dbraw/zinc/40/34/81/823403481.db2.gz SFYDKEXZHGWIJG-ZBFHGGJFSA-N 1 1 376.422 4.229 20 0 GIADMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC1CCCC1 ZINC000410137132 823399569 /nfs/dbraw/zinc/39/95/69/823399569.db2.gz YIEYYRUTCJRQIB-FQEVSTJZSA-N 1 1 394.515 4.021 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2cc(OC)ccc2[nH]1 ZINC000189362263 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SEOHKVKXRMKAHS-LJQANCHMSA-N 1 1 379.548 4.352 20 0 GIADMO CCc1ccccc1NC(=O)CN1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000189572298 823447401 /nfs/dbraw/zinc/44/74/01/823447401.db2.gz LGMXAQRUHKYCEH-SFHVURJKSA-N 1 1 399.966 4.262 20 0 GIADMO Cc1nc2c(s1)[C@@H](N(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)CCC2 ZINC000573101893 823447720 /nfs/dbraw/zinc/44/77/20/823447720.db2.gz PUEYXYHMTUHMFW-DLBZAZTESA-N 1 1 377.941 4.244 20 0 GIADMO CCC(CC)[N@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)CC(C)C ZINC000177370527 823447751 /nfs/dbraw/zinc/44/77/51/823447751.db2.gz TZKMUQKICLEAFK-UHFFFAOYSA-N 1 1 376.570 4.167 20 0 GIADMO COC(=O)c1oc(C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1C ZINC000025929460 820040903 /nfs/dbraw/zinc/04/09/03/820040903.db2.gz ALWBKKYSTIEMGL-UHFFFAOYSA-N 1 1 395.402 4.149 20 0 GIADMO COC(=O)c1oc(C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1C ZINC000025929460 820040911 /nfs/dbraw/zinc/04/09/11/820040911.db2.gz ALWBKKYSTIEMGL-UHFFFAOYSA-N 1 1 395.402 4.149 20 0 GIADMO Cc1cc2occ(CC(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)c2cc1C ZINC000025942610 820042193 /nfs/dbraw/zinc/04/21/93/820042193.db2.gz LYDRORFJOQQAQS-SFHVURJKSA-N 1 1 376.500 4.155 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000177397575 823453252 /nfs/dbraw/zinc/45/32/52/823453252.db2.gz VLRINAPFUYOACE-GOSISDBHSA-N 1 1 384.501 4.017 20 0 GIADMO O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000026115115 820059779 /nfs/dbraw/zinc/05/97/79/820059779.db2.gz UTAAZTSPMYTSLM-HXUWFJFHSA-N 1 1 392.421 4.090 20 0 GIADMO CC(C)C[N@@H+](CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000026127324 820062111 /nfs/dbraw/zinc/06/21/11/820062111.db2.gz MRNIVDYDWIGXJW-UHFFFAOYSA-N 1 1 396.922 4.136 20 0 GIADMO COc1ccc([C@H](NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000026173979 820066449 /nfs/dbraw/zinc/06/64/49/820066449.db2.gz DFOGQZXIBYCAQI-FDDCHVKYSA-N 1 1 395.547 4.138 20 0 GIADMO COc1ccc([C@@H](C)NCc2cccc(C[NH+]3CCCC3)c2)cc1NC(C)=O ZINC000123049559 823453504 /nfs/dbraw/zinc/45/35/04/823453504.db2.gz SNCCPQICVQTRFM-QGZVFWFLSA-N 1 1 381.520 4.100 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000026321997 820082227 /nfs/dbraw/zinc/08/22/27/820082227.db2.gz RCWVZZLUIMNDQL-JKSUJKDBSA-N 1 1 396.487 4.148 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC ZINC000026321997 820082239 /nfs/dbraw/zinc/08/22/39/820082239.db2.gz RCWVZZLUIMNDQL-JKSUJKDBSA-N 1 1 396.487 4.148 20 0 GIADMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000123036107 823451530 /nfs/dbraw/zinc/45/15/30/823451530.db2.gz OPWHTGORWLLXTD-GOSISDBHSA-N 1 1 395.434 4.181 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000026365038 820090198 /nfs/dbraw/zinc/09/01/98/820090198.db2.gz WZFYQAXOEWRTRW-LSDHHAIUSA-N 1 1 385.895 4.145 20 0 GIADMO CCc1ccc(C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000058789507 823451948 /nfs/dbraw/zinc/45/19/48/823451948.db2.gz UVKMYMIOEHIPMY-UHFFFAOYSA-N 1 1 377.448 4.038 20 0 GIADMO CCc1ccc(C[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 ZINC000058789507 823451952 /nfs/dbraw/zinc/45/19/52/823451952.db2.gz UVKMYMIOEHIPMY-UHFFFAOYSA-N 1 1 377.448 4.038 20 0 GIADMO O=C(C[N@H+](Cc1cccc(Br)c1)C1CC1)Nc1cc(F)ccc1F ZINC000026446277 820097933 /nfs/dbraw/zinc/09/79/33/820097933.db2.gz NULUALMYAWMTLI-UHFFFAOYSA-N 1 1 395.247 4.330 20 0 GIADMO O=C(C[N@@H+](Cc1cccc(Br)c1)C1CC1)Nc1cc(F)ccc1F ZINC000026446277 820097943 /nfs/dbraw/zinc/09/79/43/820097943.db2.gz NULUALMYAWMTLI-UHFFFAOYSA-N 1 1 395.247 4.330 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)cc1OC(F)F ZINC000026453506 820099306 /nfs/dbraw/zinc/09/93/06/820099306.db2.gz NPVOAIYNEFWFAU-UHFFFAOYSA-N 1 1 398.837 4.411 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2Cl)cc1OC(F)F ZINC000026453262 820099476 /nfs/dbraw/zinc/09/94/76/820099476.db2.gz WLYMXLRGTWFANT-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Cl)cc1OC(F)F ZINC000026453262 820099485 /nfs/dbraw/zinc/09/94/85/820099485.db2.gz WLYMXLRGTWFANT-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1OC(F)F ZINC000026453701 820099617 /nfs/dbraw/zinc/09/96/17/820099617.db2.gz NMKZYMZTCRSTRD-HNNXBMFYSA-N 1 1 392.446 4.372 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)cc1OC(F)F ZINC000026453701 820099623 /nfs/dbraw/zinc/09/96/23/820099623.db2.gz NMKZYMZTCRSTRD-HNNXBMFYSA-N 1 1 392.446 4.372 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000189587519 823452717 /nfs/dbraw/zinc/45/27/17/823452717.db2.gz CYFNRBUULHFSBK-UHFFFAOYSA-N 1 1 394.544 4.122 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)c(C)c1 ZINC000026641482 820127227 /nfs/dbraw/zinc/12/72/27/820127227.db2.gz UAFYHMFYZJRXMO-FQEVSTJZSA-N 1 1 392.543 4.418 20 0 GIADMO COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)[NH+]3CCCCCC3)n2)c1 ZINC000026807394 820147046 /nfs/dbraw/zinc/14/70/46/820147046.db2.gz DMRIEMANBDRLQG-AWEZNQCLSA-N 1 1 389.521 4.030 20 0 GIADMO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)o1 ZINC000573169964 823459076 /nfs/dbraw/zinc/45/90/76/823459076.db2.gz ACZSHHUQJDVLEK-KXBFYZLASA-N 1 1 393.487 4.062 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)COCCc1ccccc1)C1CCCCC1 ZINC000058827184 823460101 /nfs/dbraw/zinc/46/01/01/823460101.db2.gz GBCLKRYKCQREDC-UHFFFAOYSA-N 1 1 394.559 4.327 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cnn(-c2ccccc2F)c1 ZINC000058827559 823460388 /nfs/dbraw/zinc/46/03/88/823460388.db2.gz MJZYZXQLMAXMMK-UHFFFAOYSA-N 1 1 399.495 4.096 20 0 GIADMO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000027135871 820199683 /nfs/dbraw/zinc/19/96/83/820199683.db2.gz LUTWFIHDDGDWFS-ZDUSSCGKSA-N 1 1 390.446 4.036 20 0 GIADMO C[N@H+](CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)Cc1ccccc1 ZINC000058835801 823461364 /nfs/dbraw/zinc/46/13/64/823461364.db2.gz DKMOCWCHJWOJBZ-UHFFFAOYSA-N 1 1 380.438 4.302 20 0 GIADMO C[N@@H+](CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)Cc1ccccc1 ZINC000058835801 823461367 /nfs/dbraw/zinc/46/13/67/823461367.db2.gz DKMOCWCHJWOJBZ-UHFFFAOYSA-N 1 1 380.438 4.302 20 0 GIADMO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3COc3ccc(Cl)cc3)o2)cc1 ZINC000027238005 820214516 /nfs/dbraw/zinc/21/45/16/820214516.db2.gz FBEXQPHGCFEKJU-KRWDZBQOSA-N 1 1 399.878 4.442 20 0 GIADMO COc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3COc3ccc(Cl)cc3)o2)cc1 ZINC000027238005 820214521 /nfs/dbraw/zinc/21/45/21/820214521.db2.gz FBEXQPHGCFEKJU-KRWDZBQOSA-N 1 1 399.878 4.442 20 0 GIADMO CCCCC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccc(F)cc1 ZINC000027277149 820218995 /nfs/dbraw/zinc/21/89/95/820218995.db2.gz MKTLCGOCBNSJCY-UHFFFAOYSA-N 1 1 399.510 4.158 20 0 GIADMO CCCCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)Cc1ccc(F)cc1 ZINC000027277149 820219002 /nfs/dbraw/zinc/21/90/02/820219002.db2.gz MKTLCGOCBNSJCY-UHFFFAOYSA-N 1 1 399.510 4.158 20 0 GIADMO O=C(CSCc1cccc(Cl)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027333743 820225709 /nfs/dbraw/zinc/22/57/09/820225709.db2.gz MGKRBYUYHORGON-QGZVFWFLSA-N 1 1 378.925 4.120 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000058855890 823462690 /nfs/dbraw/zinc/46/26/90/823462690.db2.gz FKEZVFKXBQEQMB-DEOSSOPVSA-N 1 1 392.474 4.172 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000058855890 823462693 /nfs/dbraw/zinc/46/26/93/823462693.db2.gz FKEZVFKXBQEQMB-DEOSSOPVSA-N 1 1 392.474 4.172 20 0 GIADMO Cc1[nH]c2c(cccc2C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1C ZINC000027390419 820237631 /nfs/dbraw/zinc/23/76/31/820237631.db2.gz PZNMNLLYGDALAB-UHFFFAOYSA-N 1 1 375.516 4.441 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)C2CC2)cc1 ZINC000027429381 820243480 /nfs/dbraw/zinc/24/34/80/820243480.db2.gz LCFRPVAGOFIDGK-QHCPKHFHSA-N 1 1 382.479 4.066 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)C2CC2)cc1 ZINC000027429381 820243485 /nfs/dbraw/zinc/24/34/85/820243485.db2.gz LCFRPVAGOFIDGK-QHCPKHFHSA-N 1 1 382.479 4.066 20 0 GIADMO CC(C)c1ccc(C[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C2CC2)cc1 ZINC000027431143 820243895 /nfs/dbraw/zinc/24/38/95/820243895.db2.gz PFROCZNYWAVHNO-UHFFFAOYSA-N 1 1 393.531 4.115 20 0 GIADMO CC(C)c1ccc(C[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C2CC2)cc1 ZINC000027431143 820243901 /nfs/dbraw/zinc/24/39/01/820243901.db2.gz PFROCZNYWAVHNO-UHFFFAOYSA-N 1 1 393.531 4.115 20 0 GIADMO Cc1cc(C(=O)CCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C)s1 ZINC000027499952 820254110 /nfs/dbraw/zinc/25/41/10/820254110.db2.gz SFGJVUNQVLVIFU-GOSISDBHSA-N 1 1 388.533 4.264 20 0 GIADMO CCCCc1ccc([C@@H]([NH2+]Cc2nn3c(nc(C)cc3=O)s2)C(C)C)cc1 ZINC000027549135 820259024 /nfs/dbraw/zinc/25/90/24/820259024.db2.gz SGYSIQVXQILWBY-FQEVSTJZSA-N 1 1 384.549 4.289 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569192 820259968 /nfs/dbraw/zinc/25/99/68/820259968.db2.gz MZTFSRKIGOVBIP-SFHVURJKSA-N 1 1 379.504 4.099 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027569192 820259972 /nfs/dbraw/zinc/25/99/72/820259972.db2.gz MZTFSRKIGOVBIP-SFHVURJKSA-N 1 1 379.504 4.099 20 0 GIADMO COc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000410341521 823467723 /nfs/dbraw/zinc/46/77/23/823467723.db2.gz WRBVSDNHFWANNW-SFHVURJKSA-N 1 1 381.520 4.069 20 0 GIADMO Cc1noc(CN2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)n1 ZINC000027904281 820294867 /nfs/dbraw/zinc/29/48/67/820294867.db2.gz LAHZDJRXSPZXED-UHFFFAOYSA-N 1 1 388.924 4.078 20 0 GIADMO O=C(Cc1coc2cc(F)ccc12)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000573231067 823468488 /nfs/dbraw/zinc/46/84/88/823468488.db2.gz PWKIVZDLUTZZJU-HXUWFJFHSA-N 1 1 392.430 4.355 20 0 GIADMO CC[C@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1nc(C(F)(F)F)cs1 ZINC000460658777 823469033 /nfs/dbraw/zinc/46/90/33/823469033.db2.gz QCLJQTCNANAAFN-RYUDHWBXSA-N 1 1 377.476 4.240 20 0 GIADMO COc1ncc(C[N@@H+](C)CCCCCc2cc(-c3ccccc3)no2)c(C)n1 ZINC000410346629 823469195 /nfs/dbraw/zinc/46/91/95/823469195.db2.gz WOQWQUIQFFZNJJ-UHFFFAOYSA-N 1 1 380.492 4.293 20 0 GIADMO CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000460659759 823469465 /nfs/dbraw/zinc/46/94/65/823469465.db2.gz YEVQXZIFLARZIG-IEGUWTFLSA-N 1 1 398.522 4.245 20 0 GIADMO CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000460659759 823469468 /nfs/dbraw/zinc/46/94/68/823469468.db2.gz YEVQXZIFLARZIG-IEGUWTFLSA-N 1 1 398.522 4.245 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000028354262 820328766 /nfs/dbraw/zinc/32/87/66/820328766.db2.gz ABVMXDNUPZVMKE-HXUWFJFHSA-N 1 1 399.535 4.110 20 0 GIADMO C[C@@H](CNC(=O)N1CCC(Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000028379195 820330429 /nfs/dbraw/zinc/33/04/29/820330429.db2.gz QOJYXRVTGVHLOT-SFHVURJKSA-N 1 1 397.588 4.159 20 0 GIADMO C[C@@H](CNC(=O)N1CCC(Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000028379195 820330439 /nfs/dbraw/zinc/33/04/39/820330439.db2.gz QOJYXRVTGVHLOT-SFHVURJKSA-N 1 1 397.588 4.159 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177470716 823470351 /nfs/dbraw/zinc/47/03/51/823470351.db2.gz QGQNKWBPWDORDF-UYAOXDASSA-N 1 1 388.552 4.105 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000573251998 823470801 /nfs/dbraw/zinc/47/08/01/823470801.db2.gz IMFJUPVDNAYONE-RTBURBONSA-N 1 1 376.491 4.262 20 0 GIADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000028727449 820353349 /nfs/dbraw/zinc/35/33/49/820353349.db2.gz QAHFKTVYNQOULY-KRWDZBQOSA-N 1 1 380.513 4.194 20 0 GIADMO CCc1ccc(CN(C)C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000028844567 820363277 /nfs/dbraw/zinc/36/32/77/820363277.db2.gz RPYKOXQKHFVGHA-OALUTQOASA-N 1 1 380.532 4.130 20 0 GIADMO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1c(Cl)cccc1Cl ZINC000028843412 820363456 /nfs/dbraw/zinc/36/34/56/820363456.db2.gz YRXNOPVOCJITDL-UHFFFAOYSA-N 1 1 396.293 4.283 20 0 GIADMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)NCc1ccccc1Cl ZINC000028899386 820370101 /nfs/dbraw/zinc/37/01/01/820370101.db2.gz RCXQFJFCCKFPMO-GOSISDBHSA-N 1 1 399.966 4.120 20 0 GIADMO CO[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000410361070 823474039 /nfs/dbraw/zinc/47/40/39/823474039.db2.gz UIJULIGEPRIPQV-WMZHIEFXSA-N 1 1 395.547 4.105 20 0 GIADMO CCc1ccc(C[N@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)cc1 ZINC000028932062 820375483 /nfs/dbraw/zinc/37/54/83/820375483.db2.gz NAODSQVERGTKGL-UHFFFAOYSA-N 1 1 397.263 4.360 20 0 GIADMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2c(F)cc(F)cc2Br)cc1 ZINC000028932062 820375488 /nfs/dbraw/zinc/37/54/88/820375488.db2.gz NAODSQVERGTKGL-UHFFFAOYSA-N 1 1 397.263 4.360 20 0 GIADMO Fc1ccc(CN2CCC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000123178894 823474550 /nfs/dbraw/zinc/47/45/50/823474550.db2.gz ZLONAMKSSWRYAD-UHFFFAOYSA-N 1 1 392.478 4.116 20 0 GIADMO Fc1ccc(C[N@@H+]2CCCN(Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000123178894 823474553 /nfs/dbraw/zinc/47/45/53/823474553.db2.gz ZLONAMKSSWRYAD-UHFFFAOYSA-N 1 1 392.478 4.116 20 0 GIADMO Fc1ccc(C[N@H+]2CCCN(Cc3ccc(Oc4cnccn4)cc3)CC2)cc1 ZINC000123178894 823474556 /nfs/dbraw/zinc/47/45/56/823474556.db2.gz ZLONAMKSSWRYAD-UHFFFAOYSA-N 1 1 392.478 4.116 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COc2ccc(F)cc2F)cc1 ZINC000058950528 823474687 /nfs/dbraw/zinc/47/46/87/823474687.db2.gz SFQRGURSDUPCTO-INIZCTEOSA-N 1 1 388.458 4.034 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(Cc3csc(-c4ccoc4)n3)CC2)C[C@H](C)O1 ZINC000177490201 823474750 /nfs/dbraw/zinc/47/47/50/823474750.db2.gz WCDHSTLKOXJAOQ-CALCHBBNSA-N 1 1 389.565 4.114 20 0 GIADMO O=C(CN1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1)Nc1ccccc1 ZINC000029081483 820390535 /nfs/dbraw/zinc/39/05/35/820390535.db2.gz WHEWOAXSZMWHGQ-UHFFFAOYSA-N 1 1 394.906 4.403 20 0 GIADMO COc1cc(F)ccc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410364191 823475524 /nfs/dbraw/zinc/47/55/24/823475524.db2.gz YKGUCFXMPZQXCU-MRXNPFEDSA-N 1 1 385.483 4.388 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000029143387 820398373 /nfs/dbraw/zinc/39/83/73/820398373.db2.gz OODVEVOTZZYKNV-ZDUSSCGKSA-N 1 1 398.837 4.279 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000029143387 820398377 /nfs/dbraw/zinc/39/83/77/820398377.db2.gz OODVEVOTZZYKNV-ZDUSSCGKSA-N 1 1 398.837 4.279 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC=C(c2ccccc2F)C1 ZINC000573290931 823476551 /nfs/dbraw/zinc/47/65/51/823476551.db2.gz WCWRQIBUAOXJFV-UHFFFAOYSA-N 1 1 381.495 4.275 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C(=O)N4CCCCC4)CC3)o2)cc1C ZINC000177505398 823478713 /nfs/dbraw/zinc/47/87/13/823478713.db2.gz RNMNAMINGORMDK-GOSISDBHSA-N 1 1 396.535 4.139 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)CCC4)cc2)C[C@H](C)O1 ZINC000410372087 823479049 /nfs/dbraw/zinc/47/90/49/823479049.db2.gz UNMAYAQFOCIPAZ-HDICACEKSA-N 1 1 393.531 4.106 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000410373744 823479387 /nfs/dbraw/zinc/47/93/87/823479387.db2.gz XQLOENGQSVIWCY-IYBDPMFKSA-N 1 1 387.911 4.271 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000058988015 823479592 /nfs/dbraw/zinc/47/95/92/823479592.db2.gz UMIWYQYFGKHBCK-JIIJFUIFSA-N 1 1 395.478 4.291 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000058988015 823479596 /nfs/dbraw/zinc/47/95/96/823479596.db2.gz UMIWYQYFGKHBCK-JIIJFUIFSA-N 1 1 395.478 4.291 20 0 GIADMO C[C@@](O)(C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)C(F)(F)F ZINC000410374541 823479716 /nfs/dbraw/zinc/47/97/16/823479716.db2.gz NDTPRSGDKGJERS-LJQANCHMSA-N 1 1 393.409 4.002 20 0 GIADMO C[C@@](O)(C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)C(F)(F)F ZINC000410374541 823479718 /nfs/dbraw/zinc/47/97/18/823479718.db2.gz NDTPRSGDKGJERS-LJQANCHMSA-N 1 1 393.409 4.002 20 0 GIADMO CC(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000410375633 823480340 /nfs/dbraw/zinc/48/03/40/823480340.db2.gz PODRJFGZIVHCSO-KRWDZBQOSA-N 1 1 379.504 4.443 20 0 GIADMO C[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCc2ccccc21 ZINC000029489213 820463465 /nfs/dbraw/zinc/46/34/65/820463465.db2.gz ASLCDQWBWGRDNA-SFHVURJKSA-N 1 1 386.879 4.059 20 0 GIADMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000029598809 820481817 /nfs/dbraw/zinc/48/18/17/820481817.db2.gz AYQZWBBYWJPYOL-AWEZNQCLSA-N 1 1 388.924 4.278 20 0 GIADMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000029598809 820481823 /nfs/dbraw/zinc/48/18/23/820481823.db2.gz AYQZWBBYWJPYOL-AWEZNQCLSA-N 1 1 388.924 4.278 20 0 GIADMO FC(F)(F)c1ccc(C[NH+]2CCN(Cc3cc(-c4ccco4)on3)CC2)cc1 ZINC000029632602 820488391 /nfs/dbraw/zinc/48/83/91/820488391.db2.gz PXWKFXDZMFRHEL-UHFFFAOYSA-N 1 1 391.393 4.271 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc3c2ccn(C)c3=O)cc1 ZINC000410389135 823483730 /nfs/dbraw/zinc/48/37/30/823483730.db2.gz AVHOEFZWOKLIPK-UHFFFAOYSA-N 1 1 377.488 4.023 20 0 GIADMO Cc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)cs2)o1 ZINC000029705020 820501696 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CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)CC1 ZINC000042133781 821272985 /nfs/dbraw/zinc/27/29/85/821272985.db2.gz PWYWJCHMHZKCEQ-ROUUACIJSA-N 1 1 387.568 4.155 20 0 GIADMO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000177881873 823540621 /nfs/dbraw/zinc/54/06/21/823540621.db2.gz QAMYBSKNMVCFSB-GOSISDBHSA-N 1 1 378.394 4.108 20 0 GIADMO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000177881873 823540623 /nfs/dbraw/zinc/54/06/23/823540623.db2.gz QAMYBSKNMVCFSB-GOSISDBHSA-N 1 1 378.394 4.108 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000042147938 821274775 /nfs/dbraw/zinc/27/47/75/821274775.db2.gz KZFDCJYDXXLFQN-GOSISDBHSA-N 1 1 387.568 4.024 20 0 GIADMO Cc1c(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)sc2cccc(F)c12 ZINC000060547646 823540785 /nfs/dbraw/zinc/54/07/85/823540785.db2.gz VJPCVQWFGGYUQE-UHFFFAOYSA-N 1 1 397.519 4.349 20 0 GIADMO CC(C)OCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000042655283 821320330 /nfs/dbraw/zinc/32/03/30/821320330.db2.gz NXUWPXWXKUOULF-UHFFFAOYSA-N 1 1 384.495 4.099 20 0 GIADMO CC(C)OCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000042655283 821320339 /nfs/dbraw/zinc/32/03/39/821320339.db2.gz NXUWPXWXKUOULF-UHFFFAOYSA-N 1 1 384.495 4.099 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-n2cccn2)nc1)C1CCCCC1 ZINC000042697428 821325046 /nfs/dbraw/zinc/32/50/46/821325046.db2.gz GCBIEPUXVZFHLM-UHFFFAOYSA-N 1 1 389.503 4.284 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1ccccc1Cl ZINC000042766582 821332076 /nfs/dbraw/zinc/33/20/76/821332076.db2.gz PRQOOBBQRABTQW-IBGZPJMESA-N 1 1 388.943 4.202 20 0 GIADMO COc1ccccc1CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000043001921 821353820 /nfs/dbraw/zinc/35/38/20/821353820.db2.gz HWGVMBDGYMOLAT-UHFFFAOYSA-N 1 1 378.476 4.385 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000180624860 821372954 /nfs/dbraw/zinc/37/29/54/821372954.db2.gz XDFRYTONKXTURM-KRWDZBQOSA-N 1 1 387.553 4.012 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)cs2)c1 ZINC000180628090 821374611 /nfs/dbraw/zinc/37/46/11/821374611.db2.gz XCPLKBODPWVJAC-KRWDZBQOSA-N 1 1 397.548 4.371 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](c4nncn4C(C)C)C3)cs2)c1 ZINC000180628090 821374619 /nfs/dbraw/zinc/37/46/19/821374619.db2.gz XCPLKBODPWVJAC-KRWDZBQOSA-N 1 1 397.548 4.371 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000180651305 821383113 /nfs/dbraw/zinc/38/31/13/821383113.db2.gz OSSRYAXLEOBERU-LBPRGKRZSA-N 1 1 394.302 4.171 20 0 GIADMO CC[C@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1ccc(F)cc1F ZINC000180653678 821383743 /nfs/dbraw/zinc/38/37/43/821383743.db2.gz JBKOKYQPCFYSMS-SFHVURJKSA-N 1 1 397.462 4.058 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000043281723 821386734 /nfs/dbraw/zinc/38/67/34/821386734.db2.gz NEJXUTXKFKFWIN-UHFFFAOYSA-N 1 1 380.536 4.062 20 0 GIADMO CCc1ccc([C@@H]([NH2+][C@H](C)c2c[nH]nc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180662773 821387087 /nfs/dbraw/zinc/38/70/87/821387087.db2.gz HZSPZMXUKOEPTI-IVZQSRNASA-N 1 1 397.544 4.124 20 0 GIADMO COc1ccccc1CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000043293867 821387660 /nfs/dbraw/zinc/38/76/60/821387660.db2.gz VADPDVOTINAFCP-UHFFFAOYSA-N 1 1 392.503 4.428 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000043295982 821388188 /nfs/dbraw/zinc/38/81/88/821388188.db2.gz KBXNPWZLUBEHQU-KNQAVFIVSA-N 1 1 380.536 4.125 20 0 GIADMO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1OC ZINC000043305275 821388751 /nfs/dbraw/zinc/38/87/51/821388751.db2.gz GFKAKYKXDHGUME-QHCPKHFHSA-N 1 1 390.483 4.482 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1ccccc1 ZINC000180673573 821390851 /nfs/dbraw/zinc/39/08/51/821390851.db2.gz AVTRCJFSQVOSFW-GCJKJVERSA-N 1 1 376.504 4.133 20 0 GIADMO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000043328524 821392766 /nfs/dbraw/zinc/39/27/66/821392766.db2.gz CFRWUSISYFPFQR-UHFFFAOYSA-N 1 1 388.309 4.107 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)Cc3ccc(OC)c(OC)c3)c2C1 ZINC000180694033 821398858 /nfs/dbraw/zinc/39/88/58/821398858.db2.gz QMZLNXOORJPULM-INIZCTEOSA-N 1 1 382.504 4.247 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)Cc3ccc(OC)c(OC)c3)c2C1 ZINC000180694033 821398868 /nfs/dbraw/zinc/39/88/68/821398868.db2.gz QMZLNXOORJPULM-INIZCTEOSA-N 1 1 382.504 4.247 20 0 GIADMO COc1ncccc1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000043391090 821401229 /nfs/dbraw/zinc/40/12/29/821401229.db2.gz JCAZPQCPPFUJDG-UHFFFAOYSA-N 1 1 382.508 4.176 20 0 GIADMO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCc1cccs1 ZINC000180734056 821423534 /nfs/dbraw/zinc/42/35/34/821423534.db2.gz BZZPYMVDIUADBT-ICSRJNTNSA-N 1 1 386.561 4.252 20 0 GIADMO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc(Br)ccc1F ZINC000180738572 821426248 /nfs/dbraw/zinc/42/62/48/821426248.db2.gz PGNQIIHTDIUNKC-OAHLLOKOSA-N 1 1 399.348 4.274 20 0 GIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 ZINC000043552432 821427009 /nfs/dbraw/zinc/42/70/09/821427009.db2.gz WUZDFIZFZHCKAV-STQMWFEESA-N 1 1 387.496 4.011 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000043751782 821452920 /nfs/dbraw/zinc/45/29/20/821452920.db2.gz JTSRGSRNZZJQAQ-XMMPIXPASA-N 1 1 399.494 4.231 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000043751782 821452927 /nfs/dbraw/zinc/45/29/27/821452927.db2.gz JTSRGSRNZZJQAQ-XMMPIXPASA-N 1 1 399.494 4.231 20 0 GIADMO C[C@H](CNC(=O)Cc1c(Cl)cccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000043771410 821455842 /nfs/dbraw/zinc/45/58/42/821455842.db2.gz YLHXBIOVNBHKPR-GFCCVEGCSA-N 1 1 383.344 4.160 20 0 GIADMO C[C@H](CNC(=O)Cc1c(Cl)cccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000043771410 821455845 /nfs/dbraw/zinc/45/58/45/821455845.db2.gz YLHXBIOVNBHKPR-GFCCVEGCSA-N 1 1 383.344 4.160 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(SC)ccc3C)CC2)cc1 ZINC000043810258 821462669 /nfs/dbraw/zinc/46/26/69/821462669.db2.gz AULIOYRQLGFPEV-UHFFFAOYSA-N 1 1 384.545 4.074 20 0 GIADMO c1cn(C[C@H]2CCC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)nn1 ZINC000180797354 821463927 /nfs/dbraw/zinc/46/39/27/821463927.db2.gz KJQPYIZKPOWGAH-HNNXBMFYSA-N 1 1 379.489 4.060 20 0 GIADMO COc1ccc([C@@H](CN[C@@H](c2ccccc2)c2ccccn2)[NH+](C)C)cc1OC ZINC000180810211 821471539 /nfs/dbraw/zinc/47/15/39/821471539.db2.gz MXAQSWPFCKHRJY-QPPBQGQZSA-N 1 1 391.515 4.081 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccco1 ZINC000043981327 821497998 /nfs/dbraw/zinc/49/79/98/821497998.db2.gz LTUSIWMBGPKVFH-INIZCTEOSA-N 1 1 398.488 4.018 20 0 GIADMO COc1ccc2cc(CNC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccc2c1 ZINC000180861871 821500440 /nfs/dbraw/zinc/50/04/40/821500440.db2.gz BEIYQFVJVFZXSC-LAUBAEHRSA-N 1 1 395.547 4.301 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180863907 821501227 /nfs/dbraw/zinc/50/12/27/821501227.db2.gz YZWOFTWCOSNARG-HOCLYGCPSA-N 1 1 399.457 4.037 20 0 GIADMO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1 ZINC000180868468 821503642 /nfs/dbraw/zinc/50/36/42/821503642.db2.gz DQBIUMMMARFOBW-KNQAVFIVSA-N 1 1 375.516 4.110 20 0 GIADMO O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000044017967 821504218 /nfs/dbraw/zinc/50/42/18/821504218.db2.gz RUFJEHBQLISPDB-UHFFFAOYSA-N 1 1 393.409 4.325 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000180871396 821504827 /nfs/dbraw/zinc/50/48/27/821504827.db2.gz YCVUQLQWAHPJIG-QGZVFWFLSA-N 1 1 397.523 4.340 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=S)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000044073251 821515766 /nfs/dbraw/zinc/51/57/66/821515766.db2.gz FVMUAQJAAHGVAI-UHFFFAOYSA-N 1 1 390.641 4.246 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000044089839 821520960 /nfs/dbraw/zinc/52/09/60/821520960.db2.gz PGDMUENEOAOOCF-HNNXBMFYSA-N 1 1 384.451 4.232 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000044089839 821520965 /nfs/dbraw/zinc/52/09/65/821520965.db2.gz PGDMUENEOAOOCF-HNNXBMFYSA-N 1 1 384.451 4.232 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cc1F ZINC000044089840 821520999 /nfs/dbraw/zinc/52/09/99/821520999.db2.gz PGDMUENEOAOOCF-OAHLLOKOSA-N 1 1 384.451 4.232 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)cc1F ZINC000044089840 821521005 /nfs/dbraw/zinc/52/10/05/821521005.db2.gz PGDMUENEOAOOCF-OAHLLOKOSA-N 1 1 384.451 4.232 20 0 GIADMO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000180921229 821538684 /nfs/dbraw/zinc/53/86/84/821538684.db2.gz WSUUDJXQWWCDNY-KSFYIVLOSA-N 1 1 397.544 4.179 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180929271 821543418 /nfs/dbraw/zinc/54/34/18/821543418.db2.gz DKBLLKQUNLIEIF-MRXNPFEDSA-N 1 1 390.959 4.014 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180929271 821543426 /nfs/dbraw/zinc/54/34/26/821543426.db2.gz DKBLLKQUNLIEIF-MRXNPFEDSA-N 1 1 390.959 4.014 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000180974527 821566911 /nfs/dbraw/zinc/56/69/11/821566911.db2.gz ZQNVIFMKIUMOCU-UHFFFAOYSA-N 1 1 391.466 4.014 20 0 GIADMO O=C(Nc1cccc(OCC(F)(F)F)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044310380 821567149 /nfs/dbraw/zinc/56/71/49/821567149.db2.gz OKFHETBOUVJLIM-QGZVFWFLSA-N 1 1 393.409 4.024 20 0 GIADMO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cc2ccccc2o1 ZINC000180975867 821567781 /nfs/dbraw/zinc/56/77/81/821567781.db2.gz AEIBYPAOFYFJLT-SFHVURJKSA-N 1 1 391.515 4.109 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCc1ccc2[nH]ccc2c1 ZINC000180996814 821583063 /nfs/dbraw/zinc/58/30/63/821583063.db2.gz SYLNNBOLDHNMKE-IBGZPJMESA-N 1 1 375.516 4.224 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000180999209 821584237 /nfs/dbraw/zinc/58/42/37/821584237.db2.gz JMPFZCMTKYFYCI-UHFFFAOYSA-N 1 1 391.466 4.062 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000181020839 821597082 /nfs/dbraw/zinc/59/70/82/821597082.db2.gz JRZLZXRZHPKPCL-NRFANRHFSA-N 1 1 379.483 4.439 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000181020820 821597101 /nfs/dbraw/zinc/59/71/01/821597101.db2.gz JRZLZXRZHPKPCL-OAQYLSRUSA-N 1 1 379.483 4.439 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(OC(F)F)c3)cc2)C[C@@H](C)O1 ZINC000044580615 821615007 /nfs/dbraw/zinc/61/50/07/821615007.db2.gz URCWXZLAHATIMX-HUUCEWRRSA-N 1 1 390.430 4.150 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(OC(F)F)c3)cc2)C[C@H](C)O1 ZINC000044580614 821615099 /nfs/dbraw/zinc/61/50/99/821615099.db2.gz URCWXZLAHATIMX-GJZGRUSLSA-N 1 1 390.430 4.150 20 0 GIADMO CCN1CC[NH+](Cc2ccc(N[C@@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000181080018 821622490 /nfs/dbraw/zinc/62/24/90/821622490.db2.gz PDTGCOZTOXEJGV-VWLOTQADSA-N 1 1 386.543 4.421 20 0 GIADMO CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181099110 821631465 /nfs/dbraw/zinc/63/14/65/821631465.db2.gz RTVCCMSFOIKMPW-QSFXBCCZSA-N 1 1 382.907 4.080 20 0 GIADMO CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181099110 821631473 /nfs/dbraw/zinc/63/14/73/821631473.db2.gz RTVCCMSFOIKMPW-QSFXBCCZSA-N 1 1 382.907 4.080 20 0 GIADMO O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000181099525 821631952 /nfs/dbraw/zinc/63/19/52/821631952.db2.gz RYCCBFLZLNEYIS-UHFFFAOYSA-N 1 1 391.466 4.277 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(F)cc1 ZINC000181119848 821644804 /nfs/dbraw/zinc/64/48/04/821644804.db2.gz JJXJPYYXXOREQK-INIZCTEOSA-N 1 1 391.397 4.064 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC2)[nH+]1 ZINC000181132985 821653756 /nfs/dbraw/zinc/65/37/56/821653756.db2.gz BPOIMBUNYFJYFN-OAHLLOKOSA-N 1 1 386.462 4.025 20 0 GIADMO CCCn1c(C)nnc1C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181140092 821658663 /nfs/dbraw/zinc/65/86/63/821658663.db2.gz ORRYSNRRKJOTQI-NRFANRHFSA-N 1 1 382.483 4.218 20 0 GIADMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(Br)c1 ZINC000181146917 821662712 /nfs/dbraw/zinc/66/27/12/821662712.db2.gz DEUJUBAPBMABRJ-DOTOQJQBSA-N 1 1 375.266 4.002 20 0 GIADMO CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000181147807 821663415 /nfs/dbraw/zinc/66/34/15/821663415.db2.gz QTPGUCYWABRKAB-OFNKIYASSA-N 1 1 380.532 4.169 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)on1 ZINC000181151895 821666326 /nfs/dbraw/zinc/66/63/26/821666326.db2.gz ZGVLMHIYRNHBTD-PZJWPPBQSA-N 1 1 396.512 4.210 20 0 GIADMO Cc1cc(Br)oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000044836465 821670719 /nfs/dbraw/zinc/67/07/19/821670719.db2.gz IZCQNGYDBAZFBQ-CYBMUJFWSA-N 1 1 385.689 4.037 20 0 GIADMO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044910554 821679766 /nfs/dbraw/zinc/67/97/66/821679766.db2.gz QOEVUOIUSZNELG-QHCPKHFHSA-N 1 1 391.559 4.205 20 0 GIADMO Cc1cc2ncc([C@H](C)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c(C)n2n1 ZINC000181201924 821694202 /nfs/dbraw/zinc/69/42/02/821694202.db2.gz FZZSSHJTJPOQNP-HKUYNNGSSA-N 1 1 391.563 4.429 20 0 GIADMO Cc1cc2ncc([C@H](C)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)c(C)n2n1 ZINC000181201924 821694209 /nfs/dbraw/zinc/69/42/09/821694209.db2.gz FZZSSHJTJPOQNP-HKUYNNGSSA-N 1 1 391.563 4.429 20 0 GIADMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181203327 821694887 /nfs/dbraw/zinc/69/48/87/821694887.db2.gz MZUCMIIGIIKLIS-GOSISDBHSA-N 1 1 396.487 4.131 20 0 GIADMO COc1ccccc1-c1nnc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000181207256 821697064 /nfs/dbraw/zinc/69/70/64/821697064.db2.gz WZARVCLFGJEATQ-APWZRJJASA-N 1 1 379.460 4.003 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)CC[N@H+]1Cc1ccccc1 ZINC000181215579 821702068 /nfs/dbraw/zinc/70/20/68/821702068.db2.gz IOHYJGNOFQGFSS-GCJKJVERSA-N 1 1 375.516 4.270 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000181230026 821708128 /nfs/dbraw/zinc/70/81/28/821708128.db2.gz VHZWMJBJTZVXPT-KGLIPLIRSA-N 1 1 394.302 4.266 20 0 GIADMO COCCc1noc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n1 ZINC000181241831 821714895 /nfs/dbraw/zinc/71/48/95/821714895.db2.gz ZIGKMYDVZYNNTQ-NFBKMPQASA-N 1 1 377.488 4.210 20 0 GIADMO COCCc1noc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)n1 ZINC000181241854 821714945 /nfs/dbraw/zinc/71/49/45/821714945.db2.gz ZIGKMYDVZYNNTQ-REWPJTCUSA-N 1 1 377.488 4.210 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC=C(c4cccc(C)c4)CC3)CC2)cs1 ZINC000181260423 821722273 /nfs/dbraw/zinc/72/22/73/821722273.db2.gz QMHMXKWOYDPISS-UHFFFAOYSA-N 1 1 395.572 4.288 20 0 GIADMO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(=O)n2c(C)csc2n1 ZINC000181267867 821725098 /nfs/dbraw/zinc/72/50/98/821725098.db2.gz HWMMUKHDBCUWMP-SFHVURJKSA-N 1 1 385.533 4.340 20 0 GIADMO Cc1noc(C)c1[C@H](C)CC(=O)O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295512 821740688 /nfs/dbraw/zinc/74/06/88/821740688.db2.gz HBQVDJAXAXLLOD-QVKFZJNVSA-N 1 1 382.504 4.091 20 0 GIADMO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ncc(Br)s1 ZINC000181327242 821761309 /nfs/dbraw/zinc/76/13/09/821761309.db2.gz LCCCKMXPUXSVKM-MRVPVSSYSA-N 1 1 396.232 4.049 20 0 GIADMO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ncc(Br)s1 ZINC000181327220 821761379 /nfs/dbraw/zinc/76/13/79/821761379.db2.gz LCCCKMXPUXSVKM-QMMMGPOBSA-N 1 1 396.232 4.049 20 0 GIADMO COc1ccc([C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C(F)(F)F)cc1 ZINC000181330290 821763347 /nfs/dbraw/zinc/76/33/47/821763347.db2.gz UZXZFIFYDRNAEH-MAUKXSAKSA-N 1 1 384.442 4.069 20 0 GIADMO COc1ccc(C[N@H+](Cn2nc(C(F)F)n(C)c2=S)[C@@H](C)C2CC2)cc1 ZINC000181332690 821765190 /nfs/dbraw/zinc/76/51/90/821765190.db2.gz GDKOWXHWNPFSTP-LBPRGKRZSA-N 1 1 382.480 4.155 20 0 GIADMO COc1ccc(C[N@@H+](Cn2nc(C(F)F)n(C)c2=S)[C@@H](C)C2CC2)cc1 ZINC000181332690 821765193 /nfs/dbraw/zinc/76/51/93/821765193.db2.gz GDKOWXHWNPFSTP-LBPRGKRZSA-N 1 1 382.480 4.155 20 0 GIADMO COC(=O)c1cc(C[NH2+]Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)oc1C ZINC000181383009 821797627 /nfs/dbraw/zinc/79/76/27/821797627.db2.gz NSMBXWDNFGHEPU-UHFFFAOYSA-N 1 1 396.418 4.056 20 0 GIADMO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000181414815 821813617 /nfs/dbraw/zinc/81/36/17/821813617.db2.gz HLPVPIOODDBLBC-UFYCRDLUSA-N 1 1 382.495 4.097 20 0 GIADMO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000181414815 821813627 /nfs/dbraw/zinc/81/36/27/821813627.db2.gz HLPVPIOODDBLBC-UFYCRDLUSA-N 1 1 382.495 4.097 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000181414835 821813683 /nfs/dbraw/zinc/81/36/83/821813683.db2.gz WAJFMIWYIJBRSK-LJQANCHMSA-N 1 1 376.447 4.005 20 0 GIADMO COCCc1nc(C)c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000181417291 821814949 /nfs/dbraw/zinc/81/49/49/821814949.db2.gz GGWQRYQEOUVYGC-ZNDGOPKYSA-N 1 1 399.604 4.487 20 0 GIADMO COCCc1nc(C)c([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000181417291 821814963 /nfs/dbraw/zinc/81/49/63/821814963.db2.gz GGWQRYQEOUVYGC-ZNDGOPKYSA-N 1 1 399.604 4.487 20 0 GIADMO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000181418212 821815812 /nfs/dbraw/zinc/81/58/12/821815812.db2.gz WWCBIHFHBOOLNW-ZCNNSNEGSA-N 1 1 395.385 4.258 20 0 GIADMO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000181418212 821815819 /nfs/dbraw/zinc/81/58/19/821815819.db2.gz WWCBIHFHBOOLNW-ZCNNSNEGSA-N 1 1 395.385 4.258 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 ZINC000181423526 821819551 /nfs/dbraw/zinc/81/95/51/821819551.db2.gz IMCRHLRTGRTPBC-OAHLLOKOSA-N 1 1 389.229 4.187 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)Cc2cc(C)[nH]n2)CCC3)cc1 ZINC000181424044 821819627 /nfs/dbraw/zinc/81/96/27/821819627.db2.gz MVZOILDHWPCKHF-SCLBCKFNSA-N 1 1 382.533 4.448 20 0 GIADMO COc1ccc(C[C@@H]([NH2+][C@H](C)Cc2cc(C)[nH]n2)c2ccc(OC)cc2)cc1 ZINC000181424836 821820274 /nfs/dbraw/zinc/82/02/74/821820274.db2.gz MBHUVXXVNCOVMZ-WAIKUNEKSA-N 1 1 379.504 4.240 20 0 GIADMO Cc1cccc(-c2nc(CC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)c1 ZINC000181430298 821822649 /nfs/dbraw/zinc/82/26/49/821822649.db2.gz DLCGSJQDFUWBSV-HKUYNNGSSA-N 1 1 397.588 4.430 20 0 GIADMO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](c2ccco2)c2ccccc2OC)cc1 ZINC000181434190 821825078 /nfs/dbraw/zinc/82/50/78/821825078.db2.gz JEQHVIZRVHJAQA-QMHKHESXSA-N 1 1 394.471 4.393 20 0 GIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000181438821 821827518 /nfs/dbraw/zinc/82/75/18/821827518.db2.gz NOVDXOSPOWOFPI-OAQYLSRUSA-N 1 1 394.519 4.051 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)o2)cc1 ZINC000181459206 821835397 /nfs/dbraw/zinc/83/53/97/821835397.db2.gz PDTONNBMSOKMAD-AZUAARDMSA-N 1 1 395.547 4.352 20 0 GIADMO Cc1cccc(Oc2ccccc2NC(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000181473682 821842384 /nfs/dbraw/zinc/84/23/84/821842384.db2.gz IGXBOIBEVXTINP-UHFFFAOYSA-N 1 1 397.519 4.098 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)c1 ZINC000181487133 821848664 /nfs/dbraw/zinc/84/86/64/821848664.db2.gz OEBBJOZZOOWLEC-HSZRJFAPSA-N 1 1 397.478 4.280 20 0 GIADMO Cc1ccc(CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000181492273 821851299 /nfs/dbraw/zinc/85/12/99/821851299.db2.gz DPPFGFMCONFEHD-UHFFFAOYSA-N 1 1 392.330 4.020 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+](C)CCc3ccncc3)n2)cc1 ZINC000181493176 821851763 /nfs/dbraw/zinc/85/17/63/821851763.db2.gz BJUAXHFXBPELDW-MRXNPFEDSA-N 1 1 380.517 4.015 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+](C)CCc3ccncc3)n2)cc1 ZINC000181493176 821851772 /nfs/dbraw/zinc/85/17/72/821851772.db2.gz BJUAXHFXBPELDW-MRXNPFEDSA-N 1 1 380.517 4.015 20 0 GIADMO C[C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CCOCC1 ZINC000181498465 821854938 /nfs/dbraw/zinc/85/49/38/821854938.db2.gz ZKSLUOIVRMWPHK-AWEZNQCLSA-N 1 1 399.362 4.137 20 0 GIADMO C[C@H](NC(=O)CCc1cccc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181507472 821858891 /nfs/dbraw/zinc/85/88/91/821858891.db2.gz KTQYAQJPRDDQLR-RDJZCZTQSA-N 1 1 393.369 4.151 20 0 GIADMO C[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181509224 821859898 /nfs/dbraw/zinc/85/98/98/821859898.db2.gz WQXIDFRKEHBKPG-ZIAGYGMSSA-N 1 1 385.335 4.141 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1cccc(O)c1 ZINC000181511995 821861519 /nfs/dbraw/zinc/86/15/19/821861519.db2.gz UIPCBOKMFVCMAQ-KDOFPFPSSA-N 1 1 395.484 4.075 20 0 GIADMO CCCc1ccc(C(=O)CCC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000181518393 821864201 /nfs/dbraw/zinc/86/42/01/821864201.db2.gz BJRLUBXNTAGHHJ-WIYYLYMNSA-N 1 1 384.564 4.371 20 0 GIADMO C[C@@H](NC(=O)c1cnc(Cc2ccccc2)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181531443 821869317 /nfs/dbraw/zinc/86/93/17/821869317.db2.gz FTZRNLRXIXRKRZ-AEFFLSMTSA-N 1 1 383.561 4.117 20 0 GIADMO C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181628309 821911865 /nfs/dbraw/zinc/91/18/65/821911865.db2.gz AHYPKYJNZOELCR-APWZRJJASA-N 1 1 380.532 4.233 20 0 GIADMO C[C@H](NC(=O)c1ncoc1-c1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181638340 821916939 /nfs/dbraw/zinc/91/69/39/821916939.db2.gz YBAFXNYILNXQDN-GJZGRUSLSA-N 1 1 387.911 4.378 20 0 GIADMO CO[C@H](C)c1nc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)cs1 ZINC000181655333 821925557 /nfs/dbraw/zinc/92/55/57/821925557.db2.gz YQGCUWKJSKCQGS-LLVKDONJSA-N 1 1 389.443 4.212 20 0 GIADMO CCC[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1F ZINC000181663004 821929995 /nfs/dbraw/zinc/92/99/95/821929995.db2.gz AXPWFTYUONDYKU-KRWDZBQOSA-N 1 1 377.822 4.257 20 0 GIADMO C[C@H](NC(=O)c1cnc(-c2ccccc2F)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669926 821935687 /nfs/dbraw/zinc/93/56/87/821935687.db2.gz YLAWHFRWRPRQMJ-GJZGRUSLSA-N 1 1 387.524 4.332 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)cc1Br ZINC000181674875 821938384 /nfs/dbraw/zinc/93/83/84/821938384.db2.gz JMTFZOSXICPYHQ-NSHDSACASA-N 1 1 391.313 4.112 20 0 GIADMO CC[C@@H]([NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)c1ccc(C)cc1 ZINC000181681691 821941200 /nfs/dbraw/zinc/94/12/00/821941200.db2.gz QWHVYLSDOIDFNI-QGZVFWFLSA-N 1 1 397.475 4.312 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](C)c2cc(Br)ccc2F)cc1OC ZINC000181685678 821943757 /nfs/dbraw/zinc/94/37/57/821943757.db2.gz YSKUUPPWWVEOEU-LLVKDONJSA-N 1 1 396.256 4.234 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)Cc1ccc2c(c1)NC(=O)C2)C1CCCCC1 ZINC000181761816 821980444 /nfs/dbraw/zinc/98/04/44/821980444.db2.gz KRWYZFCTSJGPLO-UHFFFAOYSA-N 1 1 391.515 4.127 20 0 GIADMO CCC[C@@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccccc1 ZINC000181786182 821991307 /nfs/dbraw/zinc/99/13/07/821991307.db2.gz QUUXXCKWQJKPHM-MRXNPFEDSA-N 1 1 386.297 4.056 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccccn1 ZINC000181797738 821997144 /nfs/dbraw/zinc/99/71/44/821997144.db2.gz FHJPJWSNIUHNIE-MRXNPFEDSA-N 1 1 378.501 4.058 20 0 GIADMO COC(=O)c1cc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c(C)s1 ZINC000181822965 822006923 /nfs/dbraw/zinc/00/69/23/822006923.db2.gz OKDXGVJZHQNJEH-QGZVFWFLSA-N 1 1 375.490 4.016 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@@H](CC3CCCCC3)c3ccccc3)sc2n1 ZINC000181828397 822009790 /nfs/dbraw/zinc/00/97/90/822009790.db2.gz LOJKNHWPMWRDIV-SFHVURJKSA-N 1 1 382.533 4.261 20 0 GIADMO CCn1c(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)nc2cc(F)ccc21 ZINC000181834513 822011797 /nfs/dbraw/zinc/01/17/97/822011797.db2.gz ZXDRCAJECPLGOZ-SFHVURJKSA-N 1 1 383.467 4.368 20 0 GIADMO CSc1ccc(NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)cc1 ZINC000181837213 822012762 /nfs/dbraw/zinc/01/27/62/822012762.db2.gz AVAOJLGQQDOZFB-LJQANCHMSA-N 1 1 386.517 4.020 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC000181894851 822029567 /nfs/dbraw/zinc/02/95/67/822029567.db2.gz ALITYYSRVIXCDN-SFHVURJKSA-N 1 1 399.482 4.280 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)o2)cc1C ZINC000181903837 822032390 /nfs/dbraw/zinc/03/23/90/822032390.db2.gz LCRYJUITRKXGIZ-SJORKVTESA-N 1 1 388.475 4.346 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)o2)cc1C ZINC000181903800 822032589 /nfs/dbraw/zinc/03/25/89/822032589.db2.gz LCRYJUITRKXGIZ-IRXDYDNUSA-N 1 1 388.475 4.346 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)C[C@H](C)c2nccs2)cc1 ZINC000181945863 822042404 /nfs/dbraw/zinc/04/24/04/822042404.db2.gz VDZSVOUEJTTWAV-GJZGRUSLSA-N 1 1 383.521 4.143 20 0 GIADMO O=C(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000181951926 822043713 /nfs/dbraw/zinc/04/37/13/822043713.db2.gz OPXDZGYWKRVGNE-SJKOYZFVSA-N 1 1 386.845 4.448 20 0 GIADMO C[N@@H+](CCCc1ccccc1Br)Cc1ccc([S@@](C)=O)cc1 ZINC000181960688 822046714 /nfs/dbraw/zinc/04/67/14/822046714.db2.gz FDEPGVSWHJKYFR-JOCHJYFZSA-N 1 1 380.351 4.251 20 0 GIADMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)cc1OCC ZINC000181983595 822052644 /nfs/dbraw/zinc/05/26/44/822052644.db2.gz GIQUMTYDSCXZIM-ZDUSSCGKSA-N 1 1 378.419 4.052 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)N(C)[C@H](C)c3cccs3)CC[N@H+]2C2CC2)c1 ZINC000181988150 822054410 /nfs/dbraw/zinc/05/44/10/822054410.db2.gz INYILYXGIZTJIF-QFIXIFRTSA-N 1 1 399.560 4.437 20 0 GIADMO Cc1nnc(C[NH2+][C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n1C1CC1 ZINC000182013628 822062605 /nfs/dbraw/zinc/06/26/05/822062605.db2.gz LGNSYZKYOGDXGK-HNNXBMFYSA-N 1 1 380.467 4.490 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(C2SCCS2)cc1 ZINC000182071667 822081793 /nfs/dbraw/zinc/08/17/93/822081793.db2.gz ABDXEACYDOWFRG-MRXNPFEDSA-N 1 1 386.586 4.416 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@H]3CCCOc4c(Cl)cccc43)CC2)[nH+]c1 ZINC000182120099 822102137 /nfs/dbraw/zinc/10/21/37/822102137.db2.gz PMAABEVHXDALFM-IBGZPJMESA-N 1 1 399.922 4.290 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3ccc(OC)c(C)c3)co2)cc1 ZINC000182126331 822105721 /nfs/dbraw/zinc/10/57/21/822105721.db2.gz GNSIGXNOSYIUEK-UHFFFAOYSA-N 1 1 380.444 4.077 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3ccc(OC)c(C)c3)co2)cc1 ZINC000182126331 822105732 /nfs/dbraw/zinc/10/57/32/822105732.db2.gz GNSIGXNOSYIUEK-UHFFFAOYSA-N 1 1 380.444 4.077 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)co2)cc1 ZINC000182191772 822140214 /nfs/dbraw/zinc/14/02/14/822140214.db2.gz UXBBXCPFNSTBSI-FQEVSTJZSA-N 1 1 384.476 4.052 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000182227062 822156372 /nfs/dbraw/zinc/15/63/72/822156372.db2.gz UCVCZPZLEMMJNS-MRXNPFEDSA-N 1 1 377.868 4.369 20 0 GIADMO CC[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000182310280 822198380 /nfs/dbraw/zinc/19/83/80/822198380.db2.gz LCCDTLLNGCCOBB-JKSUJKDBSA-N 1 1 381.701 4.370 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355019 822212544 /nfs/dbraw/zinc/21/25/44/822212544.db2.gz KWIDZBNWBMDFLK-TZMCWYRMSA-N 1 1 383.876 4.126 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355019 822212547 /nfs/dbraw/zinc/21/25/47/822212547.db2.gz KWIDZBNWBMDFLK-TZMCWYRMSA-N 1 1 383.876 4.126 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000182408984 822232811 /nfs/dbraw/zinc/23/28/11/822232811.db2.gz JSPODVWOGYPBTA-PXNSSMCTSA-N 1 1 389.588 4.165 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1c(C)noc1C ZINC000182422678 822237427 /nfs/dbraw/zinc/23/74/27/822237427.db2.gz YIFZTMNDTCKZPX-MRXNPFEDSA-N 1 1 384.307 4.298 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1c(C)noc1C ZINC000182439524 822243302 /nfs/dbraw/zinc/24/33/02/822243302.db2.gz GWTRYPQNUZAUJZ-LJQANCHMSA-N 1 1 387.499 4.099 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](c3ccc(OC)cc3)C3CC3)co2)cc1 ZINC000182457997 822250011 /nfs/dbraw/zinc/25/00/11/822250011.db2.gz ZHJYBNNHPAIOMO-OAQYLSRUSA-N 1 1 392.455 4.378 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000177962805 822258875 /nfs/dbraw/zinc/25/88/75/822258875.db2.gz JETPICLFNMENEY-GOSISDBHSA-N 1 1 398.526 4.128 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)CC[C@@H]21 ZINC000177990907 822272795 /nfs/dbraw/zinc/27/27/95/822272795.db2.gz WRXRBRGCIKMNKE-RXVVDRJESA-N 1 1 399.485 4.180 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000177995612 822275309 /nfs/dbraw/zinc/27/53/09/822275309.db2.gz CSVCJZQXQIUIGZ-QZTJIDSGSA-N 1 1 381.442 4.314 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000177995612 822275315 /nfs/dbraw/zinc/27/53/15/822275315.db2.gz CSVCJZQXQIUIGZ-QZTJIDSGSA-N 1 1 381.442 4.314 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1)Nc1cccnc1Cl ZINC000177996657 822275380 /nfs/dbraw/zinc/27/53/80/822275380.db2.gz BHWKHLCYKCVKBO-PKOBYXMFSA-N 1 1 387.911 4.042 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1)Nc1cccnc1Cl ZINC000177996657 822275387 /nfs/dbraw/zinc/27/53/87/822275387.db2.gz BHWKHLCYKCVKBO-PKOBYXMFSA-N 1 1 387.911 4.042 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)C1 ZINC000178013227 822282692 /nfs/dbraw/zinc/28/26/92/822282692.db2.gz PXWNBFAXGXMMDY-GOSISDBHSA-N 1 1 394.519 4.053 20 0 GIADMO COc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Cc1ccccc1 ZINC000178017442 822283755 /nfs/dbraw/zinc/28/37/55/822283755.db2.gz VGIHOBKHCZFALD-KNQAVFIVSA-N 1 1 393.531 4.234 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)cs1 ZINC000182540936 822292149 /nfs/dbraw/zinc/29/21/49/822292149.db2.gz UPFQAHVOJSKLRM-IBGZPJMESA-N 1 1 377.941 4.106 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000182545000 822294381 /nfs/dbraw/zinc/29/43/81/822294381.db2.gz KGTTXRPQKFVWPV-SFHVURJKSA-N 1 1 398.551 4.082 20 0 GIADMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3nc4ccccc4nc3C)C2)cc(OC)c1 ZINC000178058717 822304235 /nfs/dbraw/zinc/30/42/35/822304235.db2.gz COCGJIAPUQIYCH-QGZVFWFLSA-N 1 1 392.503 4.032 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1)c1ccccc1 ZINC000178063141 822306191 /nfs/dbraw/zinc/30/61/91/822306191.db2.gz AMYHANJEJAGWSS-KRWDZBQOSA-N 1 1 377.463 4.016 20 0 GIADMO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569393 822307068 /nfs/dbraw/zinc/30/70/68/822307068.db2.gz VJYGWFWDHQHPDR-LATSOQNDSA-N 1 1 381.486 4.009 20 0 GIADMO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569393 822307076 /nfs/dbraw/zinc/30/70/76/822307076.db2.gz VJYGWFWDHQHPDR-LATSOQNDSA-N 1 1 381.486 4.009 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000182572559 822307840 /nfs/dbraw/zinc/30/78/40/822307840.db2.gz OKLAWCCMGQYXQA-UHFFFAOYSA-N 1 1 381.904 4.109 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000182577023 822310198 /nfs/dbraw/zinc/31/01/98/822310198.db2.gz SHWOCYHXFSTSEW-XLIONFOSSA-N 1 1 379.504 4.446 20 0 GIADMO COc1ccc([C@@H](C)NCc2ccc(CO)c(F)c2)cc1C[NH+]1CCCCC1 ZINC000182576974 822310335 /nfs/dbraw/zinc/31/03/35/822310335.db2.gz JJHIXIMGNGPCPE-QGZVFWFLSA-N 1 1 386.511 4.163 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000178089399 822314955 /nfs/dbraw/zinc/31/49/55/822314955.db2.gz WZHSUHSFIRAVRJ-LJQANCHMSA-N 1 1 399.583 4.190 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000178131518 822327861 /nfs/dbraw/zinc/32/78/61/822327861.db2.gz CQIJGKBNAALFMH-MBSDFSHPSA-N 1 1 393.531 4.074 20 0 GIADMO Oc1ccc(Br)c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000178161146 822337101 /nfs/dbraw/zinc/33/71/01/822337101.db2.gz SICNWDRTGZNNAX-LJQANCHMSA-N 1 1 390.277 4.167 20 0 GIADMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000182651668 822339693 /nfs/dbraw/zinc/33/96/93/822339693.db2.gz GBUFDNMFUPXKSM-OAHLLOKOSA-N 1 1 382.460 4.277 20 0 GIADMO C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Sc1ccccc1 ZINC000182677290 822348325 /nfs/dbraw/zinc/34/83/25/822348325.db2.gz ISWVJXNAHWJEDS-KZNAEPCWSA-N 1 1 375.582 4.119 20 0 GIADMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2nc(C)c(C)s2)CC1 ZINC000178218892 822354519 /nfs/dbraw/zinc/35/45/19/822354519.db2.gz NEHMZIPWKJMMOB-UHFFFAOYSA-N 1 1 377.579 4.338 20 0 GIADMO Cc1ccc(OC(F)F)c(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182722810 822357869 /nfs/dbraw/zinc/35/78/69/822357869.db2.gz OTSARKKGJPUPDX-HOTGVXAUSA-N 1 1 395.494 4.049 20 0 GIADMO Cc1cccc([C@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000453411105 822358922 /nfs/dbraw/zinc/35/89/22/822358922.db2.gz XFVBWNVZDBGGJO-SUMWQHHRSA-N 1 1 394.334 4.327 20 0 GIADMO C[C@@H](N1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1)C(F)(F)F ZINC000178253530 822358999 /nfs/dbraw/zinc/35/89/99/822358999.db2.gz LKBBFOXPGWWVDK-KWEXDPCDSA-N 1 1 391.275 4.421 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182739213 822360283 /nfs/dbraw/zinc/36/02/83/822360283.db2.gz JTPYBWZCMBXIBR-SQGPQFPESA-N 1 1 385.552 4.241 20 0 GIADMO Cc1cc([C@H](C)NCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(C)s1 ZINC000182763401 822363921 /nfs/dbraw/zinc/36/39/21/822363921.db2.gz WEGKJKFZZCMZBW-SFHVURJKSA-N 1 1 399.604 4.105 20 0 GIADMO O=C(c1ccc2ncsc2c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178292826 822363959 /nfs/dbraw/zinc/36/39/59/822363959.db2.gz MWDZSBCVRLJQBR-FPOVZHCZSA-N 1 1 391.540 4.423 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc(Cl)sc1Cl ZINC000178298830 822364750 /nfs/dbraw/zinc/36/47/50/822364750.db2.gz LAVXHOOYRKYIKD-JTQLQIEISA-N 1 1 378.346 4.450 20 0 GIADMO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC)CC[N@H+]1Cc1ccccc1 ZINC000453452585 822366078 /nfs/dbraw/zinc/36/60/78/822366078.db2.gz PYJXWRNWUYKYEV-LEWJYISDSA-N 1 1 397.567 4.031 20 0 GIADMO O=C(Nc1ccc(OCc2ccccn2)c(F)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178316541 822366681 /nfs/dbraw/zinc/36/66/81/822366681.db2.gz UMNQDADMEIFQOD-KRWDZBQOSA-N 1 1 397.494 4.393 20 0 GIADMO CCN(c1nnc([C@@H]2CC[C@H](C)O2)n1CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000453457372 822367676 /nfs/dbraw/zinc/36/76/76/822367676.db2.gz ATWUCXXAOANMLQ-MMKMLUHNSA-N 1 1 397.567 4.200 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C)c1 ZINC000182804186 822370276 /nfs/dbraw/zinc/37/02/76/822370276.db2.gz WSTYPLZMWNGHKB-CVEARBPZSA-N 1 1 394.441 4.183 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C)c1 ZINC000182804186 822370281 /nfs/dbraw/zinc/37/02/81/822370281.db2.gz WSTYPLZMWNGHKB-CVEARBPZSA-N 1 1 394.441 4.183 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccc(-n2cncn2)cc1 ZINC000178353041 822370433 /nfs/dbraw/zinc/37/04/33/822370433.db2.gz PAJOJUTUMIQKPB-QGZVFWFLSA-N 1 1 389.528 4.360 20 0 GIADMO CC[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H](C)c1cccc(O)c1 ZINC000178378108 822373026 /nfs/dbraw/zinc/37/30/26/822373026.db2.gz POVQJDULBLTEPE-OAHLLOKOSA-N 1 1 392.446 4.035 20 0 GIADMO CC[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H](C)c1cccc(O)c1 ZINC000178378108 822373029 /nfs/dbraw/zinc/37/30/29/822373029.db2.gz POVQJDULBLTEPE-OAHLLOKOSA-N 1 1 392.446 4.035 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182828678 822374345 /nfs/dbraw/zinc/37/43/45/822374345.db2.gz WWISBSNGMBVQOQ-RBUKOAKNSA-N 1 1 384.568 4.370 20 0 GIADMO CC1([C@H]2CCC[N@@H+](Cn3c(-c4ccccc4)csc3=S)C2)OCCO1 ZINC000182833211 822375075 /nfs/dbraw/zinc/37/50/75/822375075.db2.gz IYHLKIWIJDXDQR-INIZCTEOSA-N 1 1 376.547 4.379 20 0 GIADMO C[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840079 822376545 /nfs/dbraw/zinc/37/65/45/822376545.db2.gz VYXHVTUYPFZWKP-SJORKVTESA-N 1 1 385.552 4.054 20 0 GIADMO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178415447 822377190 /nfs/dbraw/zinc/37/71/90/822377190.db2.gz NUENQGSCQZHHDO-NDEPHWFRSA-N 1 1 392.524 4.308 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178415447 822377193 /nfs/dbraw/zinc/37/71/93/822377193.db2.gz NUENQGSCQZHHDO-NDEPHWFRSA-N 1 1 392.524 4.308 20 0 GIADMO C[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182845843 822377668 /nfs/dbraw/zinc/37/76/68/822377668.db2.gz NDCMLEACQFOBMJ-GJZGRUSLSA-N 1 1 399.457 4.402 20 0 GIADMO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178430286 822378381 /nfs/dbraw/zinc/37/83/81/822378381.db2.gz PMTADHMGVTXNDB-LRDDRELGSA-N 1 1 399.869 4.422 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1ccc(F)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182850039 822378423 /nfs/dbraw/zinc/37/84/23/822378423.db2.gz IMFXPWKMOADCHG-HUUCEWRRSA-N 1 1 381.923 4.274 20 0 GIADMO C[C@@H](CC(=O)c1ccco1)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000178454261 822380638 /nfs/dbraw/zinc/38/06/38/822380638.db2.gz IZRBFTVAZTZWHS-SFHVURJKSA-N 1 1 390.483 4.303 20 0 GIADMO C[C@@H](CC(=O)c1ccco1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000178454261 822380641 /nfs/dbraw/zinc/38/06/41/822380641.db2.gz IZRBFTVAZTZWHS-SFHVURJKSA-N 1 1 390.483 4.303 20 0 GIADMO CSCC[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1nnc2ccccn21 ZINC000178454904 822380705 /nfs/dbraw/zinc/38/07/05/822380705.db2.gz SPNVHLBMLJQYED-HOTGVXAUSA-N 1 1 388.537 4.489 20 0 GIADMO C[C@@H](NC(=O)N(C)CCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867850 822382362 /nfs/dbraw/zinc/38/23/62/822382362.db2.gz YOYHYXOZCARNJN-SJLPKXTDSA-N 1 1 377.960 4.177 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182868884 822382689 /nfs/dbraw/zinc/38/26/89/822382689.db2.gz IGSUIMYAWSGWOF-IAGOWNOFSA-N 1 1 388.531 4.200 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182869829 822382755 /nfs/dbraw/zinc/38/27/55/822382755.db2.gz GACOIUYSLWOFBT-FRQCXROJSA-N 1 1 375.582 4.420 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2cc(F)cc3c2OCOC3)cnn1-c1ccc(F)cc1 ZINC000182876946 822384112 /nfs/dbraw/zinc/38/41/12/822384112.db2.gz ZAXBUQFBBRTQRN-CYBMUJFWSA-N 1 1 385.414 4.176 20 0 GIADMO Cc1cc(Br)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)s1 ZINC000453570971 822385839 /nfs/dbraw/zinc/38/58/39/822385839.db2.gz DILDZJCCKDMQHV-CYBMUJFWSA-N 1 1 397.338 4.054 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182885221 822385877 /nfs/dbraw/zinc/38/58/77/822385877.db2.gz ZKZYHESAGPJOAU-QAPCUYQASA-N 1 1 398.526 4.011 20 0 GIADMO C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182886748 822386163 /nfs/dbraw/zinc/38/61/63/822386163.db2.gz MIHOCUUMAVUDMW-RCZSKKKRSA-N 1 1 384.568 4.361 20 0 GIADMO CC[C@H](SC)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000178521436 822387325 /nfs/dbraw/zinc/38/73/25/822387325.db2.gz GPMUBBSOAOJIOY-KRWDZBQOSA-N 1 1 388.499 4.270 20 0 GIADMO C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)CCN1C(=O)c1cscn1 ZINC000453579812 822387794 /nfs/dbraw/zinc/38/77/94/822387794.db2.gz WLRBCXGEFUUMTL-HNNXBMFYSA-N 1 1 383.542 4.218 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CCN1C(=O)c1cscn1 ZINC000453579812 822387797 /nfs/dbraw/zinc/38/77/97/822387797.db2.gz WLRBCXGEFUUMTL-HNNXBMFYSA-N 1 1 383.542 4.218 20 0 GIADMO Cc1cc(Br)c(CNCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000453590475 822389620 /nfs/dbraw/zinc/38/96/20/822389620.db2.gz OJFZEJDJBBMQOA-UHFFFAOYSA-N 1 1 383.355 4.049 20 0 GIADMO Cc1ccc(OC2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)cc1 ZINC000182905823 822390222 /nfs/dbraw/zinc/39/02/22/822390222.db2.gz UIRZHKOKFBLBCI-VQTJNVASSA-N 1 1 399.579 4.201 20 0 GIADMO O=C(Nc1ccc(Cl)nc1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178545205 822390289 /nfs/dbraw/zinc/39/02/89/822390289.db2.gz RRRWRYZZOCCFTN-HKUYNNGSSA-N 1 1 384.911 4.253 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(CO)cc2)CC1 ZINC000182922196 822393204 /nfs/dbraw/zinc/39/32/04/822393204.db2.gz CNKDXLCQJJBCTO-UHFFFAOYSA-N 1 1 392.465 4.294 20 0 GIADMO COc1ccccc1CN(C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000182924893 822393754 /nfs/dbraw/zinc/39/37/54/822393754.db2.gz GDWWDPQDVFCMDI-ROUUACIJSA-N 1 1 385.552 4.022 20 0 GIADMO COc1cccc(C2CCN(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC000182927702 822394481 /nfs/dbraw/zinc/39/44/81/822394481.db2.gz NYKSIDAEUYBWSF-WIYYLYMNSA-N 1 1 399.579 4.237 20 0 GIADMO Cc1ccccc1OCCCN(C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182941553 822397116 /nfs/dbraw/zinc/39/71/16/822397116.db2.gz MDYFFBLMLWHFOC-UXHICEINSA-N 1 1 387.568 4.058 20 0 GIADMO COc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000182949316 822398545 /nfs/dbraw/zinc/39/85/45/822398545.db2.gz OUQHFXQAVWLTQM-ZIAGYGMSSA-N 1 1 395.931 4.132 20 0 GIADMO CCN(Cc1c(F)cccc1F)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182953973 822399082 /nfs/dbraw/zinc/39/90/82/822399082.db2.gz WGXFDIZROYUCBC-HOTGVXAUSA-N 1 1 379.495 4.149 20 0 GIADMO CCN(Cc1c(F)cccc1F)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182953937 822399134 /nfs/dbraw/zinc/39/91/34/822399134.db2.gz WGXFDIZROYUCBC-JKSUJKDBSA-N 1 1 379.495 4.149 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)CCc1cccc(F)c1 ZINC000182960385 822400305 /nfs/dbraw/zinc/40/03/05/822400305.db2.gz QXPNSCGGHQNFSC-INIZCTEOSA-N 1 1 385.483 4.066 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000182961215 822400444 /nfs/dbraw/zinc/40/04/44/822400444.db2.gz CBMOFBNTSDEHOX-HSALFYBXSA-N 1 1 383.561 4.158 20 0 GIADMO COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[N@H+](C4CCCC4)CC3)c2c1 ZINC000178691947 822403226 /nfs/dbraw/zinc/40/32/26/822403226.db2.gz YDPOZFNGVIFAOQ-UHFFFAOYSA-N 1 1 393.531 4.211 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C)c(-c3ncco3)c2)CC1 ZINC000178728602 822405956 /nfs/dbraw/zinc/40/59/56/822405956.db2.gz YMCSNGVPYQTVDD-UHFFFAOYSA-N 1 1 390.487 4.308 20 0 GIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000183005391 822409545 /nfs/dbraw/zinc/40/95/45/822409545.db2.gz LAOARGSUMINOAS-NHCUHLMSSA-N 1 1 383.923 4.353 20 0 GIADMO COc1ccc(CC[N@H+](CC(=O)c2cccn2C)Cc2ccsc2)cc1OC ZINC000178789057 822410005 /nfs/dbraw/zinc/41/00/05/822410005.db2.gz YODCXTVQTUACKO-UHFFFAOYSA-N 1 1 398.528 4.031 20 0 GIADMO COc1ccc(CC[N@@H+](CC(=O)c2cccn2C)Cc2ccsc2)cc1OC ZINC000178789057 822410007 /nfs/dbraw/zinc/41/00/07/822410007.db2.gz YODCXTVQTUACKO-UHFFFAOYSA-N 1 1 398.528 4.031 20 0 GIADMO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000178794427 822410537 /nfs/dbraw/zinc/41/05/37/822410537.db2.gz WTTCJIHQIIKSHM-MUUNZHRXSA-N 1 1 392.524 4.308 20 0 GIADMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000178794427 822410538 /nfs/dbraw/zinc/41/05/38/822410538.db2.gz WTTCJIHQIIKSHM-MUUNZHRXSA-N 1 1 392.524 4.308 20 0 GIADMO CCC[N@H+](Cc1cn(Cc2cccnc2)nn1)[C@@H](C)c1cc2ccccc2o1 ZINC000183015995 822411686 /nfs/dbraw/zinc/41/16/86/822411686.db2.gz UDDWFFOLCRSWAH-KRWDZBQOSA-N 1 1 375.476 4.441 20 0 GIADMO CCC[N@@H+](Cc1cn(Cc2cccnc2)nn1)[C@@H](C)c1cc2ccccc2o1 ZINC000183015995 822411688 /nfs/dbraw/zinc/41/16/88/822411688.db2.gz UDDWFFOLCRSWAH-KRWDZBQOSA-N 1 1 375.476 4.441 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000045788386 822413706 /nfs/dbraw/zinc/41/37/06/822413706.db2.gz BQGZQDYHAZSBFA-WMZHIEFXSA-N 1 1 392.547 4.360 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccncc3)cc2)C1 ZINC000045787787 822413734 /nfs/dbraw/zinc/41/37/34/822413734.db2.gz HMWGGOSBORHQLI-WMZHIEFXSA-N 1 1 392.547 4.360 20 0 GIADMO COC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000045789674 822413932 /nfs/dbraw/zinc/41/39/32/822413932.db2.gz BXQZODBXSIUTIG-UHFFFAOYSA-N 1 1 384.480 4.027 20 0 GIADMO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000045789191 822413979 /nfs/dbraw/zinc/41/39/79/822413979.db2.gz OOBUISRFSTYFRI-LJQANCHMSA-N 1 1 395.547 4.269 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000178860638 822417081 /nfs/dbraw/zinc/41/70/81/822417081.db2.gz QBUPOUFJAUPOMP-QGZVFWFLSA-N 1 1 388.533 4.277 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000178860638 822417085 /nfs/dbraw/zinc/41/70/85/822417085.db2.gz QBUPOUFJAUPOMP-QGZVFWFLSA-N 1 1 388.533 4.277 20 0 GIADMO Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000178874386 822418092 /nfs/dbraw/zinc/41/80/92/822418092.db2.gz IFBUCJHYASIFKT-QGZVFWFLSA-N 1 1 391.515 4.457 20 0 GIADMO CN(C(=O)c1cccc(C(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178877357 822418393 /nfs/dbraw/zinc/41/83/93/822418393.db2.gz DLCSCXKDVJBOEB-UXHICEINSA-N 1 1 393.522 4.033 20 0 GIADMO FC(F)(F)Oc1cccc(CC[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000178912520 822421247 /nfs/dbraw/zinc/42/12/47/822421247.db2.gz XAVPONBLAPXNDY-MRXNPFEDSA-N 1 1 390.409 4.050 20 0 GIADMO CC(C)C[C@@H](CNC(=O)CC(c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000045898406 822422508 /nfs/dbraw/zinc/42/25/08/822422508.db2.gz QEGYBUYJPVYHRU-QHCPKHFHSA-N 1 1 394.559 4.072 20 0 GIADMO Cc1cc(N(C)C)cc(C)c1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000178932148 822422780 /nfs/dbraw/zinc/42/27/80/822422780.db2.gz WQBRMAJKYGOPQR-LJQANCHMSA-N 1 1 388.943 4.447 20 0 GIADMO COc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1OC ZINC000045958087 822426861 /nfs/dbraw/zinc/42/68/61/822426861.db2.gz WSLCOOIYNKVHDZ-QGZVFWFLSA-N 1 1 397.519 4.400 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000178990457 822427119 /nfs/dbraw/zinc/42/71/19/822427119.db2.gz PPWWIOMFBRXFAL-FXAWDEMLSA-N 1 1 399.535 4.123 20 0 GIADMO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1Br)c1ccccc1 ZINC000183120689 822427181 /nfs/dbraw/zinc/42/71/81/822427181.db2.gz SWPPMDJSYBKRJG-KKSFZXQISA-N 1 1 386.742 4.312 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)C3=CCCC3)c2C1 ZINC000454087115 822427840 /nfs/dbraw/zinc/42/78/40/822427840.db2.gz MCHKKFBSVZNTRC-QGZVFWFLSA-N 1 1 397.563 4.238 20 0 GIADMO CC[C@H](C)[N@@H+](Cc1ccc(OC)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000179006930 822429242 /nfs/dbraw/zinc/42/92/42/822429242.db2.gz QEUXSEXEIVXUCW-AWEZNQCLSA-N 1 1 385.895 4.386 20 0 GIADMO CC[C@H](C)[N@H+](Cc1ccc(OC)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000179006930 822429243 /nfs/dbraw/zinc/42/92/43/822429243.db2.gz QEUXSEXEIVXUCW-AWEZNQCLSA-N 1 1 385.895 4.386 20 0 GIADMO Cc1cc(C(=O)C[N@@H+](CCc2nccs2)C(C)C)c(C)n1Cc1ccco1 ZINC000179049617 822433413 /nfs/dbraw/zinc/43/34/13/822433413.db2.gz KQGKXOMIBGJSCE-UHFFFAOYSA-N 1 1 385.533 4.339 20 0 GIADMO Cc1cc(C(=O)C[N@H+](CCc2nccs2)C(C)C)c(C)n1Cc1ccco1 ZINC000179049617 822433415 /nfs/dbraw/zinc/43/34/15/822433415.db2.gz KQGKXOMIBGJSCE-UHFFFAOYSA-N 1 1 385.533 4.339 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183180169 822436541 /nfs/dbraw/zinc/43/65/41/822436541.db2.gz BIUAONBUYKPCKB-CYBMUJFWSA-N 1 1 398.404 4.014 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000183184489 822437430 /nfs/dbraw/zinc/43/74/30/822437430.db2.gz LMNAKESYNVQPRZ-INIZCTEOSA-N 1 1 389.229 4.187 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)s2)cc1 ZINC000183197447 822440037 /nfs/dbraw/zinc/44/00/37/822440037.db2.gz RPPOUJTULPKJJK-YLJYHZDGSA-N 1 1 399.560 4.049 20 0 GIADMO COc1cc(C)c(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc1OC ZINC000454232855 822441416 /nfs/dbraw/zinc/44/14/16/822441416.db2.gz MVIPYGRTSSDPBZ-UHFFFAOYSA-N 1 1 397.519 4.188 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)cc1F ZINC000183220250 822443336 /nfs/dbraw/zinc/44/33/36/822443336.db2.gz DLDPNXKKRNSUNV-BTYIYWSLSA-N 1 1 393.466 4.008 20 0 GIADMO O=C(NCc1ccoc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183221350 822443500 /nfs/dbraw/zinc/44/35/00/822443500.db2.gz QLQPOPZFLSWVSN-UHFFFAOYSA-N 1 1 382.291 4.050 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCC(C)(c4ccccc4)CC3)CC2)[nH+]c1 ZINC000179158877 822445627 /nfs/dbraw/zinc/44/56/27/822445627.db2.gz LCVVNXUJEKJHOY-UHFFFAOYSA-N 1 1 377.532 4.187 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(Br)cn1)c1ccc(F)cc1 ZINC000179161655 822445895 /nfs/dbraw/zinc/44/58/95/822445895.db2.gz DJXLMKBYJWNPNI-MSOLQXFVSA-N 1 1 379.273 4.071 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(Br)cn1)c1ccc(F)cc1 ZINC000179161655 822445896 /nfs/dbraw/zinc/44/58/96/822445896.db2.gz DJXLMKBYJWNPNI-MSOLQXFVSA-N 1 1 379.273 4.071 20 0 GIADMO CO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1(C)C ZINC000454274393 822448106 /nfs/dbraw/zinc/44/81/06/822448106.db2.gz VRNWIOBRVYDCIA-GHTZIAJQSA-N 1 1 387.568 4.018 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ncc(Br)s1 ZINC000179189006 822448649 /nfs/dbraw/zinc/44/86/49/822448649.db2.gz QLYFUPQSTCAJNN-HIFRSBDPSA-N 1 1 380.355 4.393 20 0 GIADMO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179191375 822449096 /nfs/dbraw/zinc/44/90/96/822449096.db2.gz IBIAODITYHQDFD-VGSWGCGISA-N 1 1 395.934 4.491 20 0 GIADMO CCOCc1cc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000179197217 822449445 /nfs/dbraw/zinc/44/94/45/822449445.db2.gz YSXNHEUPXBDJQU-KRWDZBQOSA-N 1 1 380.492 4.005 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc4ccccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000183265508 822450512 /nfs/dbraw/zinc/45/05/12/822450512.db2.gz FOAUONIURJDLQR-SIKLNZKXSA-N 1 1 376.456 4.149 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc4ccccc4o3)CC[N@H+]2C2CC2)c1 ZINC000183265508 822450515 /nfs/dbraw/zinc/45/05/15/822450515.db2.gz FOAUONIURJDLQR-SIKLNZKXSA-N 1 1 376.456 4.149 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000183264848 822450565 /nfs/dbraw/zinc/45/05/65/822450565.db2.gz HDXFXPLAHJHKRR-LVCYWYKZSA-N 1 1 398.576 4.148 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc4ccccc4o3)CC[N@@H+]2C2CC2)c1 ZINC000183265525 822450576 /nfs/dbraw/zinc/45/05/76/822450576.db2.gz FOAUONIURJDLQR-UGKGYDQZSA-N 1 1 376.456 4.149 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc4ccccc4o3)CC[N@H+]2C2CC2)c1 ZINC000183265525 822450581 /nfs/dbraw/zinc/45/05/81/822450581.db2.gz FOAUONIURJDLQR-UGKGYDQZSA-N 1 1 376.456 4.149 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1ncc(Br)s1)c1ccc2c(c1)OCCO2 ZINC000179210269 822451655 /nfs/dbraw/zinc/45/16/55/822451655.db2.gz HYNLIEGVQIKXJZ-PWSUYJOCSA-N 1 1 383.311 4.479 20 0 GIADMO c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000183272285 822451697 /nfs/dbraw/zinc/45/16/97/822451697.db2.gz DYPFYXVQJRZNSA-UHFFFAOYSA-N 1 1 384.501 4.185 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CN[C@H](C)c2ncc(Br)s2)cc1F ZINC000179212496 822451789 /nfs/dbraw/zinc/45/17/89/822451789.db2.gz XWCVBPGYKKMVIL-SNVBAGLBSA-N 1 1 395.301 4.390 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc4ncsc4c3)CC[N@H+]2C2CC2)c1 ZINC000183276736 822452380 /nfs/dbraw/zinc/45/23/80/822452380.db2.gz KGNAWSSFIBUZKV-PZJWPPBQSA-N 1 1 393.512 4.013 20 0 GIADMO CCc1ccc(-c2nc(C[NH+]3CCC([C@H](O)c4nccn4C)CC3)cs2)cc1 ZINC000179246778 822456880 /nfs/dbraw/zinc/45/68/80/822456880.db2.gz XINWFXLXVOQWGZ-FQEVSTJZSA-N 1 1 396.560 4.052 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000454315662 822457129 /nfs/dbraw/zinc/45/71/29/822457129.db2.gz GXMUSQPMEWAWNY-ZSYWTGECSA-N 1 1 393.597 4.026 20 0 GIADMO O=C1CCCN1Cc1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183351217 822462317 /nfs/dbraw/zinc/46/23/17/822462317.db2.gz VGMZLFVTZYUCAF-XMMPIXPASA-N 1 1 389.474 4.222 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H](O)c3ccccc3)c2c1C ZINC000046341352 822463219 /nfs/dbraw/zinc/46/32/19/822463219.db2.gz OMXLAGPLACEQGP-KRWDZBQOSA-N 1 1 382.533 4.049 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000179318115 822465235 /nfs/dbraw/zinc/46/52/35/822465235.db2.gz KHISBUUCVNQVSN-NSHDSACASA-N 1 1 390.281 4.075 20 0 GIADMO Cc1nc2ccc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H](C)C3)cc2o1 ZINC000454379647 822465666 /nfs/dbraw/zinc/46/56/66/822465666.db2.gz NVQFBPSQPBYMLF-INIZCTEOSA-N 1 1 378.476 4.122 20 0 GIADMO COc1cc(C[NH2+]C(C)(C)c2ccccc2Br)cc(OC)c1OC ZINC000179328388 822466737 /nfs/dbraw/zinc/46/67/37/822466737.db2.gz NGDVHUGEERAMJL-UHFFFAOYSA-N 1 1 394.309 4.500 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)CCSc3ccc(F)cc3)cc2)CC1 ZINC000046403713 822470422 /nfs/dbraw/zinc/47/04/22/822470422.db2.gz GNDJMPPSPXGIDK-UHFFFAOYSA-N 1 1 387.524 4.089 20 0 GIADMO CC(C)OCc1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000046404379 822470600 /nfs/dbraw/zinc/47/06/00/822470600.db2.gz LXDATXUXJNLUAJ-UHFFFAOYSA-N 1 1 381.520 4.006 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cc2)CC1 ZINC000046404237 822470650 /nfs/dbraw/zinc/47/06/50/822470650.db2.gz XSQUKALRKGVLJF-UHFFFAOYSA-N 1 1 392.330 4.317 20 0 GIADMO CC[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1nccn1C ZINC000183413417 822471007 /nfs/dbraw/zinc/47/10/07/822471007.db2.gz JGIAVBXPVYIDAS-ZDUSSCGKSA-N 1 1 376.220 4.442 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000183421103 822472021 /nfs/dbraw/zinc/47/20/21/822472021.db2.gz YNXWYEGUAGDLMP-NRFANRHFSA-N 1 1 388.515 4.280 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCc4cc(F)ccc43)cc2)C[C@H](C)O1 ZINC000046443061 822473534 /nfs/dbraw/zinc/47/35/34/822473534.db2.gz LYMWIRIAPIYVCU-CALCHBBNSA-N 1 1 382.479 4.028 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCCc4cc(F)ccc43)cc2)C[C@H](C)O1 ZINC000046443061 822473537 /nfs/dbraw/zinc/47/35/37/822473537.db2.gz LYMWIRIAPIYVCU-CALCHBBNSA-N 1 1 382.479 4.028 20 0 GIADMO CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)CC1 ZINC000179390454 822475774 /nfs/dbraw/zinc/47/57/74/822475774.db2.gz CFVCQGVTXNWYOF-UHFFFAOYSA-N 1 1 384.442 4.056 20 0 GIADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000454461836 822479278 /nfs/dbraw/zinc/47/92/78/822479278.db2.gz SQMZCUDOYPUPOA-HXUWFJFHSA-N 1 1 394.519 4.195 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cs1)c1ccc(C)cc1C ZINC000179424636 822480535 /nfs/dbraw/zinc/48/05/35/822480535.db2.gz DNELHXXAHBHIGD-VQIMIIECSA-N 1 1 387.549 4.180 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cs1)c1ccc(C)cc1C ZINC000179424636 822480536 /nfs/dbraw/zinc/48/05/36/822480536.db2.gz DNELHXXAHBHIGD-VQIMIIECSA-N 1 1 387.549 4.180 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC[C@H]21 ZINC000183479549 822482382 /nfs/dbraw/zinc/48/23/82/822482382.db2.gz KDZXPPGHGMBLOH-CXAGYDPISA-N 1 1 381.467 4.090 20 0 GIADMO O=c1ccccn1Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183487652 822484007 /nfs/dbraw/zinc/48/40/07/822484007.db2.gz LJKZKJZGYJOPQN-RUZDIDTESA-N 1 1 399.469 4.310 20 0 GIADMO O=C(Nc1ccc2c3c(cccc31)CC2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000179450241 822484943 /nfs/dbraw/zinc/48/49/43/822484943.db2.gz HUXDZEUMJLWLPI-XMMPIXPASA-N 1 1 386.495 4.075 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)cc1OC ZINC000183503760 822487195 /nfs/dbraw/zinc/48/71/95/822487195.db2.gz DYTTXAMEPKUHSG-CHWSQXEVSA-N 1 1 394.874 4.024 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000179470260 822487517 /nfs/dbraw/zinc/48/75/17/822487517.db2.gz VJNRODMSBLCVTP-IFMALSPDSA-N 1 1 394.519 4.238 20 0 GIADMO CCN(C(=O)C[NH2+][C@@H](c1nc(C)cs1)C1CC1)[C@@H](C)c1ccc(F)cc1 ZINC000183511444 822488188 /nfs/dbraw/zinc/48/81/88/822488188.db2.gz AGABDEJLHCQQFU-IFXJQAMLSA-N 1 1 375.513 4.241 20 0 GIADMO Cc1coc(-c2cccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)n1 ZINC000183519196 822488981 /nfs/dbraw/zinc/48/89/81/822488981.db2.gz UOZYRNMMFKMIKQ-SJLPKXTDSA-N 1 1 382.508 4.425 20 0 GIADMO Cc1coc(-c2cccc(NC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)n1 ZINC000183519242 822489075 /nfs/dbraw/zinc/48/90/75/822489075.db2.gz UOZYRNMMFKMIKQ-AEFFLSMTSA-N 1 1 382.508 4.425 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2cnc(C3CC3)o2)c1 ZINC000454518441 822489683 /nfs/dbraw/zinc/48/96/83/822489683.db2.gz VYWSNAZKRDEUPM-UHFFFAOYSA-N 1 1 379.464 4.242 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+]C3(c4ccccc4)CCCC3)nc2c1 ZINC000183542825 822492371 /nfs/dbraw/zinc/49/23/71/822492371.db2.gz VHPVCMKGEDLZMU-UHFFFAOYSA-N 1 1 384.501 4.181 20 0 GIADMO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(OC(F)F)cc1 ZINC000046612963 822492548 /nfs/dbraw/zinc/49/25/48/822492548.db2.gz YJZPODYCECBQKW-CVEARBPZSA-N 1 1 383.483 4.160 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C2CC2)n1 ZINC000183549196 822493341 /nfs/dbraw/zinc/49/33/41/822493341.db2.gz FDWIKQHRSAPKCO-MOPGFXCFSA-N 1 1 375.513 4.145 20 0 GIADMO CC(C)c1cccc2c1OCCC[C@@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000179510300 822493467 /nfs/dbraw/zinc/49/34/67/822493467.db2.gz RZIBHITXJQHDSW-NRFANRHFSA-N 1 1 383.536 4.149 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)s1 ZINC000183568381 822495929 /nfs/dbraw/zinc/49/59/29/822495929.db2.gz QGSZUOADJKNFMO-CYBMUJFWSA-N 1 1 399.486 4.168 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)s1 ZINC000183568381 822495932 /nfs/dbraw/zinc/49/59/32/822495932.db2.gz QGSZUOADJKNFMO-CYBMUJFWSA-N 1 1 399.486 4.168 20 0 GIADMO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(-n2cccn2)c1 ZINC000183571748 822496243 /nfs/dbraw/zinc/49/62/43/822496243.db2.gz YBMAEUYGXQJIRP-ZDUSSCGKSA-N 1 1 381.386 4.051 20 0 GIADMO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(-n2cccn2)c1 ZINC000183571765 822496484 /nfs/dbraw/zinc/49/64/84/822496484.db2.gz YBMAEUYGXQJIRP-CYBMUJFWSA-N 1 1 381.386 4.051 20 0 GIADMO CN(C)[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)c1c(F)cccc1F ZINC000183606899 822500378 /nfs/dbraw/zinc/50/03/78/822500378.db2.gz OWSFBOYXDWSCTE-UNMCSNQZSA-N 1 1 385.433 4.481 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)s1 ZINC000183609318 822500852 /nfs/dbraw/zinc/50/08/52/822500852.db2.gz FJUCLUSBVJDCKS-CYBMUJFWSA-N 1 1 398.454 4.024 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)s1 ZINC000183609318 822500854 /nfs/dbraw/zinc/50/08/54/822500854.db2.gz FJUCLUSBVJDCKS-CYBMUJFWSA-N 1 1 398.454 4.024 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000179546333 822500899 /nfs/dbraw/zinc/50/08/99/822500899.db2.gz ATYLCBIVMRGEPY-HNAYVOBHSA-N 1 1 390.890 4.305 20 0 GIADMO OCCO[C@H]1CCC[N@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000179577330 822506066 /nfs/dbraw/zinc/50/60/66/822506066.db2.gz MCPGGYWOADTKMJ-ZDUSSCGKSA-N 1 1 387.332 4.090 20 0 GIADMO OCCO[C@H]1CCC[N@@H+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000179577330 822506069 /nfs/dbraw/zinc/50/60/69/822506069.db2.gz MCPGGYWOADTKMJ-ZDUSSCGKSA-N 1 1 387.332 4.090 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000046735447 822511416 /nfs/dbraw/zinc/51/14/16/822511416.db2.gz PKUOXPKYSZQJHL-UHFFFAOYSA-N 1 1 380.488 4.475 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000046752069 822513107 /nfs/dbraw/zinc/51/31/07/822513107.db2.gz NIHRVXFSLMBWAM-MOPGFXCFSA-N 1 1 398.551 4.229 20 0 GIADMO Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)c12 ZINC000046757158 822513923 /nfs/dbraw/zinc/51/39/23/822513923.db2.gz DWEPUCCVNXKREK-UHFFFAOYSA-N 1 1 392.503 4.179 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000046762368 822514529 /nfs/dbraw/zinc/51/45/29/822514529.db2.gz BZNLTSKKXNNZKQ-CALCHBBNSA-N 1 1 397.510 4.188 20 0 GIADMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000179626828 822515189 /nfs/dbraw/zinc/51/51/89/822515189.db2.gz JZROOWKWVTVZNR-UHFFFAOYSA-N 1 1 394.500 4.061 20 0 GIADMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000179626828 822515193 /nfs/dbraw/zinc/51/51/93/822515193.db2.gz JZROOWKWVTVZNR-UHFFFAOYSA-N 1 1 394.500 4.061 20 0 GIADMO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000183751841 822522152 /nfs/dbraw/zinc/52/21/52/822522152.db2.gz POUQLVRVSLQPBK-ZDUSSCGKSA-N 1 1 381.303 4.107 20 0 GIADMO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000179674884 822524429 /nfs/dbraw/zinc/52/44/29/822524429.db2.gz SRMBZSLIQMOBRR-CYBMUJFWSA-N 1 1 383.517 4.111 20 0 GIADMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nn1-c1ccc(Cl)cc1Cl ZINC000179674331 822524502 /nfs/dbraw/zinc/52/45/02/822524502.db2.gz JGHKHNSPFQIFJD-DOMZBBRYSA-N 1 1 395.334 4.042 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@](C)(F)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454735491 822525151 /nfs/dbraw/zinc/52/51/51/822525151.db2.gz MWBJBJDUNBYJGP-BJZITVGISA-N 1 1 385.886 4.006 20 0 GIADMO C[C@H](CNC(=O)N[C@@H]1CCSc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000046908409 822529027 /nfs/dbraw/zinc/52/90/27/822529027.db2.gz PSJMORVBKLZWEM-RHSMWYFYSA-N 1 1 387.574 4.031 20 0 GIADMO C[C@H](CNC(=O)N[C@@H]1CCSc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000046908409 822529032 /nfs/dbraw/zinc/52/90/32/822529032.db2.gz PSJMORVBKLZWEM-RHSMWYFYSA-N 1 1 387.574 4.031 20 0 GIADMO O=C(C[NH2+]C1(c2cccc(F)c2)CC1)Nc1c(F)cc(F)cc1Br ZINC000179694865 822529004 /nfs/dbraw/zinc/52/90/04/822529004.db2.gz JNNDEIUJIZYCPO-UHFFFAOYSA-N 1 1 399.210 4.084 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc1)[NH+]1CCOCC1 ZINC000454763337 822529816 /nfs/dbraw/zinc/52/98/16/822529816.db2.gz DZOSBPYKYDVSHX-LAUBAEHRSA-N 1 1 395.503 4.432 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)c2ccccc2)nc1 ZINC000183803632 822530000 /nfs/dbraw/zinc/53/00/00/822530000.db2.gz RDZFGLHZRVANCQ-SFHVURJKSA-N 1 1 391.368 4.393 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1c(F)cccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454763698 822530011 /nfs/dbraw/zinc/53/00/11/822530011.db2.gz HGEQJNMVHVCZJB-WMZOPIPTSA-N 1 1 387.474 4.017 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2CCCc3ccccc3CC2)cc1)[NH+]1CCOCC1 ZINC000454769182 822530650 /nfs/dbraw/zinc/53/06/50/822530650.db2.gz LDCNGWLDDUUGCG-LJQANCHMSA-N 1 1 393.531 4.103 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)ccc1OCc1ccncc1 ZINC000179704964 822531550 /nfs/dbraw/zinc/53/15/50/822531550.db2.gz UOYBBLVZIRXGND-NRFANRHFSA-N 1 1 377.488 4.345 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CC1 ZINC000046933812 822532289 /nfs/dbraw/zinc/53/22/89/822532289.db2.gz JQZJFVDAHFEMOC-UHFFFAOYSA-N 1 1 384.332 4.055 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)CC1 ZINC000046934055 822532424 /nfs/dbraw/zinc/53/24/24/822532424.db2.gz XDDCEJCWGUUBON-UHFFFAOYSA-N 1 1 391.487 4.001 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cc2)C1 ZINC000046934695 822532635 /nfs/dbraw/zinc/53/26/35/822532635.db2.gz VFFZZXSGGJNSSH-MGPUTAFESA-N 1 1 395.478 4.122 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)cc2)C1 ZINC000046934420 822532669 /nfs/dbraw/zinc/53/26/69/822532669.db2.gz RQNVRVAGTCKBAG-MRXNPFEDSA-N 1 1 375.472 4.012 20 0 GIADMO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC000179712122 822532791 /nfs/dbraw/zinc/53/27/91/822532791.db2.gz CWTJJWDCSHSFRZ-QGZVFWFLSA-N 1 1 394.519 4.435 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3SCC#N)cc2)C1 ZINC000046935390 822532855 /nfs/dbraw/zinc/53/28/55/822532855.db2.gz RMZQEJAAGCAOGH-SFHVURJKSA-N 1 1 393.556 4.464 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)CC1 ZINC000046939432 822533001 /nfs/dbraw/zinc/53/30/01/822533001.db2.gz ZASWCXJZHIYGAM-UHFFFAOYSA-N 1 1 398.359 4.445 20 0 GIADMO COCc1c(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)sc2cccc(F)c21 ZINC000046954065 822533647 /nfs/dbraw/zinc/53/36/47/822533647.db2.gz FUFCIIMSBFOXQN-KGLIPLIRSA-N 1 1 378.513 4.037 20 0 GIADMO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c(C)o1 ZINC000183844497 822535113 /nfs/dbraw/zinc/53/51/13/822535113.db2.gz AASHAVMPYCDNGV-OAHLLOKOSA-N 1 1 380.492 4.297 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046996694 822536527 /nfs/dbraw/zinc/53/65/27/822536527.db2.gz FCDKRCDSEGUMDA-HZPDHXFCSA-N 1 1 375.925 4.129 20 0 GIADMO COc1cccc([C@H]2CCCN2C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000047009841 822537302 /nfs/dbraw/zinc/53/73/02/822537302.db2.gz KPIQVDAASPVAHK-OXQOHEQNSA-N 1 1 399.560 4.050 20 0 GIADMO COc1cccc([C@H]2CCCN2C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000047009841 822537305 /nfs/dbraw/zinc/53/73/05/822537305.db2.gz KPIQVDAASPVAHK-OXQOHEQNSA-N 1 1 399.560 4.050 20 0 GIADMO COc1cccc([C@@H]2CCCN2C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000047009842 822537393 /nfs/dbraw/zinc/53/73/93/822537393.db2.gz KPIQVDAASPVAHK-JXFKEZNVSA-N 1 1 399.560 4.050 20 0 GIADMO COc1cccc([C@@H]2CCCN2C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000047009842 822537394 /nfs/dbraw/zinc/53/73/94/822537394.db2.gz KPIQVDAASPVAHK-JXFKEZNVSA-N 1 1 399.560 4.050 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000454808035 822537943 /nfs/dbraw/zinc/53/79/43/822537943.db2.gz LSKPOEFZEOTMKE-IBGZPJMESA-N 1 1 381.520 4.095 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000179739044 822539653 /nfs/dbraw/zinc/53/96/53/822539653.db2.gz ASPZRXDUOJCYPL-GOSISDBHSA-N 1 1 397.519 4.007 20 0 GIADMO CC(C)c1cnc(-c2ccc(NC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)o1 ZINC000454822852 822540997 /nfs/dbraw/zinc/54/09/97/822540997.db2.gz WGYGKZDKUUWMQT-JOCHJYFZSA-N 1 1 382.508 4.415 20 0 GIADMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1O ZINC000179749199 822542248 /nfs/dbraw/zinc/54/22/48/822542248.db2.gz SLKKHFBAMUJMDZ-HXUWFJFHSA-N 1 1 387.863 4.260 20 0 GIADMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000179754812 822543893 /nfs/dbraw/zinc/54/38/93/822543893.db2.gz ICHIRUBUSWODNF-UHFFFAOYSA-N 1 1 390.842 4.059 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000179758128 822544614 /nfs/dbraw/zinc/54/46/14/822544614.db2.gz FEAVZMGBOZZNQI-UHFFFAOYSA-N 1 1 377.488 4.062 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Br)s1 ZINC000183918050 822546151 /nfs/dbraw/zinc/54/61/51/822546151.db2.gz PBHSWMBCHSRPRQ-GFCCVEGCSA-N 1 1 396.354 4.374 20 0 GIADMO Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000047127821 822546419 /nfs/dbraw/zinc/54/64/19/822546419.db2.gz OPRZIPAYILURTQ-HDICACEKSA-N 1 1 381.520 4.234 20 0 GIADMO Cc1cccc(NC(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000047127821 822546422 /nfs/dbraw/zinc/54/64/22/822546422.db2.gz OPRZIPAYILURTQ-HDICACEKSA-N 1 1 381.520 4.234 20 0 GIADMO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc(OCc2ccccn2)c1 ZINC000179766444 822547731 /nfs/dbraw/zinc/54/77/31/822547731.db2.gz HTAFFBNWMMJVLQ-UHFFFAOYSA-N 1 1 384.483 4.478 20 0 GIADMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc(OCc2ccccn2)c1 ZINC000179766444 822547732 /nfs/dbraw/zinc/54/77/32/822547732.db2.gz HTAFFBNWMMJVLQ-UHFFFAOYSA-N 1 1 384.483 4.478 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)c2C1 ZINC000179766738 822547964 /nfs/dbraw/zinc/54/79/64/822547964.db2.gz LXFNOZGCLFLEQT-UHFFFAOYSA-N 1 1 392.528 4.385 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000183924933 822548040 /nfs/dbraw/zinc/54/80/40/822548040.db2.gz GRUDCLUYNOUKKE-LBPRGKRZSA-N 1 1 390.509 4.080 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1nccs1 ZINC000183924933 822548042 /nfs/dbraw/zinc/54/80/42/822548042.db2.gz GRUDCLUYNOUKKE-LBPRGKRZSA-N 1 1 390.509 4.080 20 0 GIADMO C[C@@H](CCCC(F)(F)F)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454868826 822548918 /nfs/dbraw/zinc/54/89/18/822548918.db2.gz YLTLNLBCSBCFDU-SJORKVTESA-N 1 1 385.474 4.271 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)s1 ZINC000183930826 822549231 /nfs/dbraw/zinc/54/92/31/822549231.db2.gz VNMPPQVICNWMBY-UHFFFAOYSA-N 1 1 394.544 4.073 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)s1 ZINC000183933201 822549685 /nfs/dbraw/zinc/54/96/85/822549685.db2.gz RJWIOVZQCHXMHM-LLVKDONJSA-N 1 1 386.348 4.460 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3nc(-c4ccco4)cs3)cc2)C[C@H](C)O1 ZINC000047171005 822550539 /nfs/dbraw/zinc/55/05/39/822550539.db2.gz BWGYSZHAIFYECC-GASCZTMLSA-N 1 1 397.500 4.265 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3nc(-c4ccco4)cs3)cc2)C[C@H](C)O1 ZINC000047171005 822550543 /nfs/dbraw/zinc/55/05/43/822550543.db2.gz BWGYSZHAIFYECC-GASCZTMLSA-N 1 1 397.500 4.265 20 0 GIADMO Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000047174360 822551180 /nfs/dbraw/zinc/55/11/80/822551180.db2.gz VEYFXOKIWPZBPC-UHFFFAOYSA-N 1 1 375.457 4.260 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000047188239 822552580 /nfs/dbraw/zinc/55/25/80/822552580.db2.gz HKDLZQAEXHQLKJ-IBGZPJMESA-N 1 1 397.519 4.024 20 0 GIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cnn1-c1ccccn1 ZINC000047191027 822552990 /nfs/dbraw/zinc/55/29/90/822552990.db2.gz BRNYZWBAKSCVHF-QGZVFWFLSA-N 1 1 389.503 4.202 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CSc2nc3ccccc3s2)C1 ZINC000047213955 822554948 /nfs/dbraw/zinc/55/49/48/822554948.db2.gz SMYGYGFMPLOIOC-OAHLLOKOSA-N 1 1 377.579 4.017 20 0 GIADMO COc1cccc(C[NH+]2CCC(OCc3ccccc3)CC2)c1OC(F)F ZINC000179800650 822555379 /nfs/dbraw/zinc/55/53/79/822555379.db2.gz SPKPXMOJZCKUBF-UHFFFAOYSA-N 1 1 377.431 4.478 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)NC4CCCCC4)CC3)c2c1 ZINC000047257463 822559004 /nfs/dbraw/zinc/55/90/04/822559004.db2.gz VHMXJRKQLSNHKL-INIZCTEOSA-N 1 1 381.520 4.103 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)NC4CCCCC4)CC3)c2c1 ZINC000047257463 822559006 /nfs/dbraw/zinc/55/90/06/822559006.db2.gz VHMXJRKQLSNHKL-INIZCTEOSA-N 1 1 381.520 4.103 20 0 GIADMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(C)n4)C3)cs2)o1 ZINC000047261135 822559484 /nfs/dbraw/zinc/55/94/84/822559484.db2.gz RGSTXWZGKJFVLW-MRXNPFEDSA-N 1 1 396.516 4.266 20 0 GIADMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(C)n4)C3)cs2)o1 ZINC000047261135 822559487 /nfs/dbraw/zinc/55/94/87/822559487.db2.gz RGSTXWZGKJFVLW-MRXNPFEDSA-N 1 1 396.516 4.266 20 0 GIADMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl)c1nccs1 ZINC000183993414 822559795 /nfs/dbraw/zinc/55/97/95/822559795.db2.gz UKJKVMPLWRGUMB-STQMWFEESA-N 1 1 383.920 4.018 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000047262553 822559957 /nfs/dbraw/zinc/55/99/57/822559957.db2.gz DZRKMDRAITZPAA-UHFFFAOYSA-N 1 1 382.266 4.378 20 0 GIADMO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274009 822561028 /nfs/dbraw/zinc/56/10/28/822561028.db2.gz GKMVJWXEDJWDDN-OAHLLOKOSA-N 1 1 393.462 4.432 20 0 GIADMO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274009 822561029 /nfs/dbraw/zinc/56/10/29/822561029.db2.gz GKMVJWXEDJWDDN-OAHLLOKOSA-N 1 1 393.462 4.432 20 0 GIADMO Cc1c2cccc(Cl)c2oc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276354 822561280 /nfs/dbraw/zinc/56/12/80/822561280.db2.gz RKKMARNYQMPPSG-UHFFFAOYSA-N 1 1 398.890 4.157 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1 ZINC000047284059 822562219 /nfs/dbraw/zinc/56/22/19/822562219.db2.gz KLGJGQGEJJDMCY-SFHVURJKSA-N 1 1 391.515 4.298 20 0 GIADMO CCOCc1cc(C[N@@H+](CC)CC2CCN(c3ccccn3)CC2)ccc1OC ZINC000179834653 822562571 /nfs/dbraw/zinc/56/25/71/822562571.db2.gz YAZJUUTYZABHQR-UHFFFAOYSA-N 1 1 397.563 4.365 20 0 GIADMO C[C@@H](C[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1)c1nccs1 ZINC000184010670 822563352 /nfs/dbraw/zinc/56/33/52/822563352.db2.gz PGHRBTUFLHUZEL-AWEZNQCLSA-N 1 1 386.546 4.016 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1)c1nccs1 ZINC000184010670 822563353 /nfs/dbraw/zinc/56/33/53/822563353.db2.gz PGHRBTUFLHUZEL-AWEZNQCLSA-N 1 1 386.546 4.016 20 0 GIADMO CC(C)(CNC(=O)Nc1ccc(-c2ncco2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000179837559 822563447 /nfs/dbraw/zinc/56/34/47/822563447.db2.gz ACUROTWMNVKCNZ-UHFFFAOYSA-N 1 1 390.487 4.300 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1 ZINC000184012668 822563761 /nfs/dbraw/zinc/56/37/61/822563761.db2.gz LTQLARNILUGMTI-JTQLQIEISA-N 1 1 391.846 4.489 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1 ZINC000184012668 822563762 /nfs/dbraw/zinc/56/37/62/822563762.db2.gz LTQLARNILUGMTI-JTQLQIEISA-N 1 1 391.846 4.489 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)cn1 ZINC000184017593 822564919 /nfs/dbraw/zinc/56/49/19/822564919.db2.gz YQRHAXNPQZBWTC-ZHRRBRCNSA-N 1 1 389.503 4.089 20 0 GIADMO O=C(NCCC1CC(F)(F)C1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000454976811 822565369 /nfs/dbraw/zinc/56/53/69/822565369.db2.gz GCTBBAPWHVLYLM-IBGZPJMESA-N 1 1 379.495 4.023 20 0 GIADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1cc(Cl)ccc1Cl ZINC000047323882 822565840 /nfs/dbraw/zinc/56/58/40/822565840.db2.gz DOKMTEPBBANFRJ-UHFFFAOYSA-N 1 1 394.302 4.147 20 0 GIADMO C[C@H](c1ccc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(F)(F)F ZINC000455005388 822569046 /nfs/dbraw/zinc/56/90/46/822569046.db2.gz GJKNXUPRQFVWMM-OLMMMNRUSA-N 1 1 398.469 4.066 20 0 GIADMO C[C@H](c1ccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(F)(F)F ZINC000455005388 822569047 /nfs/dbraw/zinc/56/90/47/822569047.db2.gz GJKNXUPRQFVWMM-OLMMMNRUSA-N 1 1 398.469 4.066 20 0 GIADMO Cc1cc(F)ccc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047353272 822570079 /nfs/dbraw/zinc/57/00/79/822570079.db2.gz QLTFZKYPNRGRMB-UHFFFAOYSA-N 1 1 377.410 4.198 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ncccc1C(F)(F)F ZINC000179910367 822575205 /nfs/dbraw/zinc/57/52/05/822575205.db2.gz SFUILENSGQXIAX-OAHLLOKOSA-N 1 1 391.437 4.405 20 0 GIADMO CC(=O)N(Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1)C(C)C ZINC000179919925 822577270 /nfs/dbraw/zinc/57/72/70/822577270.db2.gz IUJIVBSLPUOWEH-DVECYGJZSA-N 1 1 394.563 4.161 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000047416547 822577514 /nfs/dbraw/zinc/57/75/14/822577514.db2.gz MCMRMTCNLRBJBM-CALCHBBNSA-N 1 1 399.560 4.098 20 0 GIADMO CC(C)c1cc(Br)ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455040071 822578083 /nfs/dbraw/zinc/57/80/83/822578083.db2.gz WQZFVQNOOBCDMZ-GOOCMWNKSA-N 1 1 380.330 4.319 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(N[C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000179925459 822578189 /nfs/dbraw/zinc/57/81/89/822578189.db2.gz NNEVTNCPBFSRKP-QGZVFWFLSA-N 1 1 387.491 4.204 20 0 GIADMO COCCCCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000184119567 822581276 /nfs/dbraw/zinc/58/12/76/822581276.db2.gz NXOZKPBXGBAZEQ-HKUYNNGSSA-N 1 1 384.923 4.326 20 0 GIADMO COCCCCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000184119567 822581278 /nfs/dbraw/zinc/58/12/78/822581278.db2.gz NXOZKPBXGBAZEQ-HKUYNNGSSA-N 1 1 384.923 4.326 20 0 GIADMO Fc1ccc(COc2ccc(C[N@H+]3CCOCC4(CCOCC4)C3)cc2)cc1 ZINC000184121117 822581770 /nfs/dbraw/zinc/58/17/70/822581770.db2.gz CPJAVKILVBLEMG-UHFFFAOYSA-N 1 1 385.479 4.034 20 0 GIADMO Cc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184125186 822582397 /nfs/dbraw/zinc/58/23/97/822582397.db2.gz IAZVZMXQARKSCC-FUHWJXTLSA-N 1 1 393.890 4.428 20 0 GIADMO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184125186 822582398 /nfs/dbraw/zinc/58/23/98/822582398.db2.gz IAZVZMXQARKSCC-FUHWJXTLSA-N 1 1 393.890 4.428 20 0 GIADMO CCN(C(=O)C[NH2+][C@H](C)c1cc(F)ccc1OC)c1nc2ccccc2s1 ZINC000179944279 822582451 /nfs/dbraw/zinc/58/24/51/822582451.db2.gz HWUFYFVUZQPPON-CYBMUJFWSA-N 1 1 387.480 4.148 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(COc4ccccc4)cc3)C2)C1 ZINC000455075091 822585414 /nfs/dbraw/zinc/58/54/14/822585414.db2.gz KUWUJZXIVNLWJD-HSZRJFAPSA-N 1 1 379.504 4.215 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCC[C@@H]2CF)cc1)C[C@@H]1CCCCO1 ZINC000455079615 822586346 /nfs/dbraw/zinc/58/63/46/822586346.db2.gz TZCRVNZTRMSMQP-RTWAWAEBSA-N 1 1 391.531 4.432 20 0 GIADMO CC(=O)N1CCc2cc(C(=O)Nc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)ccc21 ZINC000047522331 822586847 /nfs/dbraw/zinc/58/68/47/822586847.db2.gz WJKQZKVFOOYVRO-KRWDZBQOSA-N 1 1 391.515 4.222 20 0 GIADMO CC(=O)N1CCc2cc(C(=O)Nc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)ccc21 ZINC000047522330 822586890 /nfs/dbraw/zinc/58/68/90/822586890.db2.gz WJKQZKVFOOYVRO-QGZVFWFLSA-N 1 1 391.515 4.222 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000184172359 822590545 /nfs/dbraw/zinc/59/05/45/822590545.db2.gz INODEKHXUPHLFW-MRXNPFEDSA-N 1 1 387.501 4.298 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000184172359 822590547 /nfs/dbraw/zinc/59/05/47/822590547.db2.gz INODEKHXUPHLFW-MRXNPFEDSA-N 1 1 387.501 4.298 20 0 GIADMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000180000724 822593390 /nfs/dbraw/zinc/59/33/90/822593390.db2.gz QGJKKRCVAWRXKM-UHFFFAOYSA-N 1 1 389.474 4.236 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000180002007 822593521 /nfs/dbraw/zinc/59/35/21/822593521.db2.gz OPPOTUULVAHDTR-GFCCVEGCSA-N 1 1 383.398 4.355 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(-c4ccc(F)cc4)n3)ccc2NC1=O ZINC000180010348 822595727 /nfs/dbraw/zinc/59/57/27/822595727.db2.gz WYRBAMOMQOBHDZ-BFUOFWGJSA-N 1 1 395.434 4.441 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000184210391 822596678 /nfs/dbraw/zinc/59/66/78/822596678.db2.gz JCRWPMQFTCMPIS-OXQOHEQNSA-N 1 1 387.474 4.477 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(-c4cccc(F)c4)n3)ccc2NC1=O ZINC000180019164 822597880 /nfs/dbraw/zinc/59/78/80/822597880.db2.gz GGVPHZLDCKIXNT-BFUOFWGJSA-N 1 1 395.434 4.441 20 0 GIADMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3csc(-c4ccoc4)n3)ccc2NC1=O ZINC000180023952 822599144 /nfs/dbraw/zinc/59/91/44/822599144.db2.gz OCVGNAFOLYOKNF-SJCJKPOMSA-N 1 1 383.473 4.363 20 0 GIADMO COCCOc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000180027145 822599884 /nfs/dbraw/zinc/59/98/84/822599884.db2.gz LQSYEKAUMZJIMJ-JXFKEZNVSA-N 1 1 389.927 4.083 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2cccc(F)c2)cn1 ZINC000180030558 822600878 /nfs/dbraw/zinc/60/08/78/822600878.db2.gz CDHLLVIJWMASMZ-IBGZPJMESA-N 1 1 393.384 4.380 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(Br)c2Cl)C1 ZINC000184245830 822602123 /nfs/dbraw/zinc/60/21/23/822602123.db2.gz OPHSCDCAONDLJB-CYBMUJFWSA-N 1 1 387.749 4.200 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000047715403 822602990 /nfs/dbraw/zinc/60/29/90/822602990.db2.gz QBXIRSYFPKVNQG-UHFFFAOYSA-N 1 1 398.375 4.378 20 0 GIADMO C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000047752047 822606090 /nfs/dbraw/zinc/60/60/90/822606090.db2.gz YGJPFTZDQUPGNT-UHFFFAOYSA-N 1 1 393.350 4.379 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000180069942 822609106 /nfs/dbraw/zinc/60/91/06/822609106.db2.gz AKTPZPWFFVNCEA-GOSISDBHSA-N 1 1 375.398 4.168 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@H](C)c2nccs2)cs1)c1ccc(C)cc1 ZINC000184291659 822609822 /nfs/dbraw/zinc/60/98/22/822609822.db2.gz JCXOEOLUDPXWMU-AWEZNQCLSA-N 1 1 386.546 4.486 20 0 GIADMO C[C@H](C[S@](C)=O)[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000184300242 822610827 /nfs/dbraw/zinc/61/08/27/822610827.db2.gz MXRNMSFNMDTIPG-WAQMSGSHSA-N 1 1 384.314 4.034 20 0 GIADMO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)c1 ZINC000184318497 822613936 /nfs/dbraw/zinc/61/39/36/822613936.db2.gz ZPPKQCLYWKQCIU-CHWSQXEVSA-N 1 1 377.282 4.336 20 0 GIADMO O=C(Cc1ccccc1O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184323535 822615079 /nfs/dbraw/zinc/61/50/79/822615079.db2.gz ANYLMDMSKBEURW-UHFFFAOYSA-N 1 1 393.314 4.022 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc[nH]c1=S ZINC000184324145 822615342 /nfs/dbraw/zinc/61/53/42/822615342.db2.gz KPOHSDQJYVXNHM-UHFFFAOYSA-N 1 1 396.343 4.072 20 0 GIADMO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1nc2ccccc2n1C ZINC000180105885 822616266 /nfs/dbraw/zinc/61/62/66/822616266.db2.gz LSCKQAUMQDEYMM-PGRDOPGGSA-N 1 1 398.510 4.474 20 0 GIADMO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000455252945 822618232 /nfs/dbraw/zinc/61/82/32/822618232.db2.gz DZGQWKHWFFEFJZ-CIRFHOKZSA-N 1 1 387.490 4.156 20 0 GIADMO CCCN1c2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2CCC1=O ZINC000180115761 822618483 /nfs/dbraw/zinc/61/84/83/822618483.db2.gz GIAXYBZTGXBFHN-AVRDEDQJSA-N 1 1 392.547 4.093 20 0 GIADMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000180119077 822619128 /nfs/dbraw/zinc/61/91/28/822619128.db2.gz HEBIXRUHUWJPGD-GJYPPUQNSA-N 1 1 397.954 4.183 20 0 GIADMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000180119077 822619130 /nfs/dbraw/zinc/61/91/30/822619130.db2.gz HEBIXRUHUWJPGD-GJYPPUQNSA-N 1 1 397.954 4.183 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3csc(C)c3C)CC2)cs1 ZINC000180127058 822621130 /nfs/dbraw/zinc/62/11/30/822621130.db2.gz GYQJJHLKQSYHDR-UHFFFAOYSA-N 1 1 377.579 4.026 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1nc(C)cs1 ZINC000184357608 822621603 /nfs/dbraw/zinc/62/16/03/822621603.db2.gz XFRQEMCCJURBAL-UONOGXRCSA-N 1 1 388.562 4.149 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)c1nc(C)cs1 ZINC000184362177 822622518 /nfs/dbraw/zinc/62/25/18/822622518.db2.gz FMGBCUWQKDKEIR-DOMZBBRYSA-N 1 1 396.354 4.132 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000048040534 822626193 /nfs/dbraw/zinc/62/61/93/822626193.db2.gz DLTLFWYMVQXPQC-GOSISDBHSA-N 1 1 376.504 4.434 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2ccccc2NC(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000180147100 822626550 /nfs/dbraw/zinc/62/65/50/822626550.db2.gz XJYRQSYGCXMUJD-GOTSBHOMSA-N 1 1 399.494 4.114 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cs2)o1 ZINC000048047715 822626641 /nfs/dbraw/zinc/62/66/41/822626641.db2.gz DIDMNFCYXNUNSV-OAHLLOKOSA-N 1 1 387.549 4.182 20 0 GIADMO Cc1cc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)ccc1Br ZINC000048051950 822627229 /nfs/dbraw/zinc/62/72/29/822627229.db2.gz SGVQBYQRNZXZCN-UHFFFAOYSA-N 1 1 382.346 4.342 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000048055311 822627645 /nfs/dbraw/zinc/62/76/45/822627645.db2.gz HNEANOTZDPLPFJ-UHFFFAOYSA-N 1 1 375.900 4.123 20 0 GIADMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cnn1-c1ccccc1Cl ZINC000180166147 822630772 /nfs/dbraw/zinc/63/07/72/822630772.db2.gz GYVOTCIPWBJVLN-TZIWHRDSSA-N 1 1 394.906 4.009 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000184419248 822631808 /nfs/dbraw/zinc/63/18/08/822631808.db2.gz BZQCUCHTIRSLQX-LJQANCHMSA-N 1 1 398.572 4.438 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)c1nc(C)cs1 ZINC000184436557 822634764 /nfs/dbraw/zinc/63/47/64/822634764.db2.gz LZLWGXLQVUMDRT-ZDUSSCGKSA-N 1 1 382.327 4.202 20 0 GIADMO O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184438091 822635057 /nfs/dbraw/zinc/63/50/57/822635057.db2.gz CKIJJIBAPXLISU-XLIONFOSSA-N 1 1 396.560 4.215 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184448817 822637271 /nfs/dbraw/zinc/63/72/71/822637271.db2.gz XTARWOITAJKVDY-JKSUJKDBSA-N 1 1 380.916 4.029 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184448817 822637274 /nfs/dbraw/zinc/63/72/74/822637274.db2.gz XTARWOITAJKVDY-JKSUJKDBSA-N 1 1 380.916 4.029 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)C[C@H](C)[N@@H+]1C ZINC000455348620 822638161 /nfs/dbraw/zinc/63/81/61/822638161.db2.gz JOGRKFXRPDQRLB-TXEJJXNPSA-N 1 1 398.454 4.385 20 0 GIADMO Cc1nc2cc(Cl)c(NC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2s1 ZINC000455351801 822638508 /nfs/dbraw/zinc/63/85/08/822638508.db2.gz IEOOTNANHYNCOA-SFHVURJKSA-N 1 1 378.929 4.208 20 0 GIADMO COCc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)sc2cccc(F)c21 ZINC000180202036 822638574 /nfs/dbraw/zinc/63/85/74/822638574.db2.gz FCTNTGTWJMQGJD-PXNSSMCTSA-N 1 1 398.503 4.362 20 0 GIADMO COc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c(C)cc1C ZINC000455356905 822639479 /nfs/dbraw/zinc/63/94/79/822639479.db2.gz FBELSOZSABZTDS-KRWDZBQOSA-N 1 1 381.520 4.298 20 0 GIADMO Fc1ccc(F)c(C[N@H+](Cc2cnc(N3CCOCC3)s2)C2CCCC2)c1 ZINC000180212722 822640650 /nfs/dbraw/zinc/64/06/50/822640650.db2.gz MEZXOHZJYNXZKN-UHFFFAOYSA-N 1 1 393.503 4.203 20 0 GIADMO Fc1ccc(F)c(C[N@@H+](Cc2cnc(N3CCOCC3)s2)C2CCCC2)c1 ZINC000180212722 822640653 /nfs/dbraw/zinc/64/06/53/822640653.db2.gz MEZXOHZJYNXZKN-UHFFFAOYSA-N 1 1 393.503 4.203 20 0 GIADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1Cl ZINC000048163451 822641391 /nfs/dbraw/zinc/64/13/91/822641391.db2.gz XRKXVZWGUUSLOK-OAHLLOKOSA-N 1 1 393.712 4.107 20 0 GIADMO COc1cccc([C@H](O)C[N@@H+](Cc2cnn(C(C)C)c2)Cc2ccccc2)c1 ZINC000180219787 822641610 /nfs/dbraw/zinc/64/16/10/822641610.db2.gz XWFHGQZSBYDJIT-HSZRJFAPSA-N 1 1 379.504 4.208 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](CC(=O)OC(C)C)C3)o2)cc1C ZINC000184480824 822643223 /nfs/dbraw/zinc/64/32/23/822643223.db2.gz IFTYBYOJVFJWLU-QZTJIDSGSA-N 1 1 385.508 4.468 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@H](CC(=O)OC(C)C)C3)o2)cc1C ZINC000184480824 822643226 /nfs/dbraw/zinc/64/32/26/822643226.db2.gz IFTYBYOJVFJWLU-QZTJIDSGSA-N 1 1 385.508 4.468 20 0 GIADMO CC[C@H](CNC(=O)c1sccc1Br)[N@H+]1CCc2ccccc2C1 ZINC000048188645 822643685 /nfs/dbraw/zinc/64/36/85/822643685.db2.gz XFSJDMQQZNIMAT-OAHLLOKOSA-N 1 1 393.350 4.077 20 0 GIADMO COc1ccc(-c2ccc(C)c(NC(=O)NCCCC[N@@H+](C)C3CC3)c2)cn1 ZINC000455388434 822645013 /nfs/dbraw/zinc/64/50/13/822645013.db2.gz JPCGEAWQRBIHSB-UHFFFAOYSA-N 1 1 382.508 4.062 20 0 GIADMO ClC(Cl)(Cl)CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000184502673 822646485 /nfs/dbraw/zinc/64/64/85/822646485.db2.gz NMDFZUAAXZFGOS-UHFFFAOYSA-N 1 1 375.687 4.071 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000048254846 822648509 /nfs/dbraw/zinc/64/85/09/822648509.db2.gz OZRKKGOSPHCPTQ-QGZVFWFLSA-N 1 1 388.556 4.223 20 0 GIADMO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](CCO)c3ccco3)cc2)c1 ZINC000184516430 822649074 /nfs/dbraw/zinc/64/90/74/822649074.db2.gz POZBXSNJMDICCE-NRFANRHFSA-N 1 1 383.444 4.302 20 0 GIADMO O=C(Nc1cccc(C[NH2+][C@@H](CCO)c2ccco2)c1)c1ccccc1Cl ZINC000184520496 822650017 /nfs/dbraw/zinc/65/00/17/822650017.db2.gz LTBHVWKSEZXYTM-IBGZPJMESA-N 1 1 384.863 4.399 20 0 GIADMO C[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1nc(-c2ccccc2)cs1 ZINC000184521818 822650131 /nfs/dbraw/zinc/65/01/31/822650131.db2.gz VRYWXBDBLUPUHS-ZDUSSCGKSA-N 1 1 387.455 4.055 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000184521233 822650135 /nfs/dbraw/zinc/65/01/35/822650135.db2.gz YJFLWDIDGSLIHA-MAUKXSAKSA-N 1 1 393.512 4.101 20 0 GIADMO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1nc(-c2ccccc2)cs1 ZINC000184537175 822653368 /nfs/dbraw/zinc/65/33/68/822653368.db2.gz GSTIHHNYNVFQSA-MAUKXSAKSA-N 1 1 379.485 4.486 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1OC(C)C ZINC000180280982 822654296 /nfs/dbraw/zinc/65/42/96/822654296.db2.gz ZMDJUKWPLRHXFP-DXPJPUQTSA-N 1 1 375.534 4.413 20 0 GIADMO CCC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455440140 822654343 /nfs/dbraw/zinc/65/43/43/822654343.db2.gz AVISMFVCLISVDU-HQSKLWIPSA-N 1 1 383.458 4.471 20 0 GIADMO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455444905 822655403 /nfs/dbraw/zinc/65/54/03/822655403.db2.gz KTNVAOYLFJVEOT-PHSGOXPASA-N 1 1 393.959 4.360 20 0 GIADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000184564258 822658200 /nfs/dbraw/zinc/65/82/00/822658200.db2.gz AUKWRUCTCNUKBP-MJGOQNOKSA-N 1 1 388.581 4.045 20 0 GIADMO CCN(C(=O)Nc1ccc(-c2ncco2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184584334 822661489 /nfs/dbraw/zinc/66/14/89/822661489.db2.gz ZUPFMDIBVPWFHW-NRFANRHFSA-N 1 1 390.487 4.470 20 0 GIADMO CSCC[C@H]([NH2+]Cc1c(C)cc(C)c(C(C)=O)c1C)c1nnc2ccccn21 ZINC000184597988 822663632 /nfs/dbraw/zinc/66/36/32/822663632.db2.gz PJAUBFDVZGTFFC-IBGZPJMESA-N 1 1 396.560 4.441 20 0 GIADMO Cc1c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cccc1-c1ncco1 ZINC000455492044 822664949 /nfs/dbraw/zinc/66/49/49/822664949.db2.gz QBFCSUZADZKVCG-KRWDZBQOSA-N 1 1 390.487 4.388 20 0 GIADMO Cc1c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1-c1ncco1 ZINC000455492044 822664952 /nfs/dbraw/zinc/66/49/52/822664952.db2.gz QBFCSUZADZKVCG-KRWDZBQOSA-N 1 1 390.487 4.388 20 0 GIADMO Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)cccc1-c1ncco1 ZINC000455495912 822665823 /nfs/dbraw/zinc/66/58/23/822665823.db2.gz WMPCDGQGSZBPJN-INIZCTEOSA-N 1 1 378.476 4.292 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455540984 822672486 /nfs/dbraw/zinc/67/24/86/822672486.db2.gz MDHGTUZVSWKUPM-JKSUJKDBSA-N 1 1 389.421 4.090 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455560201 822674584 /nfs/dbraw/zinc/67/45/84/822674584.db2.gz CHGTWDADWZKWSU-INIZCTEOSA-N 1 1 391.437 4.480 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N[C@H](c2ccccc2)C(F)F)[C@H]1c1cccs1 ZINC000455587667 822679539 /nfs/dbraw/zinc/67/95/39/822679539.db2.gz GLNUETYSUDAYHL-NXHRZFHOSA-N 1 1 393.503 4.437 20 0 GIADMO C[C@@H](c1ccc(NC(=O)c2scnc2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000184724301 822682277 /nfs/dbraw/zinc/68/22/77/822682277.db2.gz JGKJXWYHKMGVOO-HNNXBMFYSA-N 1 1 385.533 4.446 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1)C1CC1 ZINC000455603524 822682720 /nfs/dbraw/zinc/68/27/20/822682720.db2.gz FMVPZLVKQKOYIR-UHFFFAOYSA-N 1 1 386.515 4.070 20 0 GIADMO COc1ccc([C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)c2ccc(C)cc2)cc1 ZINC000455603408 822682744 /nfs/dbraw/zinc/68/27/44/822682744.db2.gz FBIHDNCWWBMUQE-QHCPKHFHSA-N 1 1 395.547 4.267 20 0 GIADMO COc1ccccc1C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000048786274 822683337 /nfs/dbraw/zinc/68/33/37/822683337.db2.gz LZQJILXKYFJHMK-LBPRGKRZSA-N 1 1 378.266 4.080 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000455613547 822684557 /nfs/dbraw/zinc/68/45/57/822684557.db2.gz NNTOYSRJXNWUJS-UHFFFAOYSA-N 1 1 381.923 4.185 20 0 GIADMO O=C(Nc1cccc(C2CC2)n1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455616273 822684922 /nfs/dbraw/zinc/68/49/22/822684922.db2.gz ISTSPNPLNGXPPK-XMMPIXPASA-N 1 1 390.531 4.479 20 0 GIADMO COc1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)ccc1OCc1cccs1 ZINC000180457406 822685779 /nfs/dbraw/zinc/68/57/79/822685779.db2.gz LEYOQENZLJQPMP-PXNSSMCTSA-N 1 1 391.558 4.042 20 0 GIADMO C[C@H](NCc1cccc(SC(=O)N(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180464329 822686879 /nfs/dbraw/zinc/68/68/79/822686879.db2.gz NSZUDDLNJLVYQC-WMZOPIPTSA-N 1 1 375.582 4.203 20 0 GIADMO C[C@@H](NCc1sccc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000180480200 822689018 /nfs/dbraw/zinc/68/90/18/822689018.db2.gz YXXRSLXJMQOFCR-CYBMUJFWSA-N 1 1 383.355 4.302 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000184783659 822690289 /nfs/dbraw/zinc/69/02/89/822690289.db2.gz PGCFNDPGXVVKII-IAGOWNOFSA-N 1 1 382.470 4.178 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455656903 822692761 /nfs/dbraw/zinc/69/27/61/822692761.db2.gz CDSVNVSCVMYMPT-KNQAVFIVSA-N 1 1 393.531 4.319 20 0 GIADMO COc1cc(-c2nc(C[N@@H+]3CCC[C@H]3c3c(C)n[nH]c3C)cs2)ccc1O ZINC000180509063 822693545 /nfs/dbraw/zinc/69/35/45/822693545.db2.gz RAXDRDQCTWIKHN-INIZCTEOSA-N 1 1 384.505 4.201 20 0 GIADMO COc1cc(-c2nc(C[N@H+]3CCC[C@H]3c3c(C)n[nH]c3C)cs2)ccc1O ZINC000180509063 822693546 /nfs/dbraw/zinc/69/35/46/822693546.db2.gz RAXDRDQCTWIKHN-INIZCTEOSA-N 1 1 384.505 4.201 20 0 GIADMO Cn1cc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c(-c2cccnc2)n1 ZINC000180510226 822693957 /nfs/dbraw/zinc/69/39/57/822693957.db2.gz PPRXPKSGCXRPDV-GOTSBHOMSA-N 1 1 390.531 4.350 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3c(C)n[nH]c3C)cs2)cc1 ZINC000180525213 822696283 /nfs/dbraw/zinc/69/62/83/822696283.db2.gz LITAGAAEQIFQAE-SFHVURJKSA-N 1 1 396.516 4.274 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3c(C)n[nH]c3C)cs2)cc1 ZINC000180525213 822696284 /nfs/dbraw/zinc/69/62/84/822696284.db2.gz LITAGAAEQIFQAE-SFHVURJKSA-N 1 1 396.516 4.274 20 0 GIADMO CC[C@H]1C[C@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCO1 ZINC000180530406 822697164 /nfs/dbraw/zinc/69/71/64/822697164.db2.gz VMRUSTQITSVYAN-MOPGFXCFSA-N 1 1 390.527 4.106 20 0 GIADMO FC(F)(F)CC[N@H+](Cc1cnc2ccc(Br)cn12)CC1CC1 ZINC000180536817 822698309 /nfs/dbraw/zinc/69/83/09/822698309.db2.gz DXOOUHCEQQOCFR-UHFFFAOYSA-N 1 1 376.220 4.261 20 0 GIADMO CN(C)C1(C[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCOCC1 ZINC000180542874 822699060 /nfs/dbraw/zinc/69/90/60/822699060.db2.gz UGUBLHFCASOGLN-FQEVSTJZSA-N 1 1 376.903 4.269 20 0 GIADMO Cc1csc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C(F)(F)F)n1 ZINC000455682435 822699834 /nfs/dbraw/zinc/69/98/34/822699834.db2.gz CJMLKJBPKRTHNZ-KBPBESRZSA-N 1 1 392.491 4.009 20 0 GIADMO O=C(Nc1nc(CC(F)(F)F)cs1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000455693356 822703661 /nfs/dbraw/zinc/70/36/61/822703661.db2.gz DPWUBPAITAPFAE-AWEZNQCLSA-N 1 1 398.454 4.034 20 0 GIADMO Cc1ccc(CNC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1F ZINC000180567987 822703832 /nfs/dbraw/zinc/70/38/32/822703832.db2.gz TYPKANMVBNCHRG-QGZVFWFLSA-N 1 1 386.364 4.173 20 0 GIADMO CCc1nc(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)sc1C ZINC000180571521 822704528 /nfs/dbraw/zinc/70/45/28/822704528.db2.gz LOFWLEFCRWHWAW-AWEZNQCLSA-N 1 1 389.418 4.375 20 0 GIADMO CCOc1cccc(CNC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180580877 822705908 /nfs/dbraw/zinc/70/59/08/822705908.db2.gz RAGSZPAOADETIY-SFHVURJKSA-N 1 1 398.400 4.124 20 0 GIADMO Cc1ccc(F)c(Br)c1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000455700216 822706145 /nfs/dbraw/zinc/70/61/45/822706145.db2.gz VBLRGNWQSFKBND-LBPRGKRZSA-N 1 1 398.320 4.235 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455708876 822709288 /nfs/dbraw/zinc/70/92/88/822709288.db2.gz GRPHAEZVXATWTH-KRWDZBQOSA-N 1 1 375.561 4.244 20 0 GIADMO CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000184910729 822711754 /nfs/dbraw/zinc/71/17/54/822711754.db2.gz MUWAPZIBJPIXTL-XLIONFOSSA-N 1 1 376.566 4.159 20 0 GIADMO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180611204 822712191 /nfs/dbraw/zinc/71/21/91/822712191.db2.gz YJYIOEDBZQYYAM-HNNXBMFYSA-N 1 1 395.482 4.239 20 0 GIADMO Cc1cc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)ccc1-n1cncn1 ZINC000180618921 822713894 /nfs/dbraw/zinc/71/38/94/822713894.db2.gz VWZRXIQDDQSOIE-FPOVZHCZSA-N 1 1 380.492 4.037 20 0 GIADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000180621049 822714318 /nfs/dbraw/zinc/71/43/18/822714318.db2.gz NKSPLNHTVYWJAR-HXUWFJFHSA-N 1 1 395.507 4.135 20 0 GIADMO O=C(Nc1ccc(Oc2cnccn2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050032974 822715169 /nfs/dbraw/zinc/71/51/69/822715169.db2.gz GFEVOCHYRDSBKD-LJQANCHMSA-N 1 1 388.471 4.120 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000455729139 822715652 /nfs/dbraw/zinc/71/56/52/822715652.db2.gz DOFIBAOQDORMPT-UNMCSNQZSA-N 1 1 378.520 4.117 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCC3)CC1 ZINC000455733869 822716564 /nfs/dbraw/zinc/71/65/64/822716564.db2.gz PAHHOECAIUYOIF-HSZRJFAPSA-N 1 1 392.547 4.479 20 0 GIADMO CCN(CC)C(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184958795 822718535 /nfs/dbraw/zinc/71/85/35/822718535.db2.gz OAGXPZWRTOUFNL-GFCCVEGCSA-N 1 1 396.354 4.092 20 0 GIADMO CCCn1ncc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1C1CC1 ZINC000455762241 822721781 /nfs/dbraw/zinc/72/17/81/822721781.db2.gz OSEAQTDSFGHWIY-UHFFFAOYSA-N 1 1 395.551 4.347 20 0 GIADMO Cc1cccn2c(=O)cc(C[NH2+][C@H](c3cccs3)c3ccc(F)cc3)nc12 ZINC000050273323 822723319 /nfs/dbraw/zinc/72/33/19/822723319.db2.gz CPSSGZKOCVCYFT-FQEVSTJZSA-N 1 1 379.460 4.083 20 0 GIADMO Cn1cc(-c2cc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3F)on2)cn1 ZINC000185054510 822729971 /nfs/dbraw/zinc/72/99/71/822729971.db2.gz HXWLMLQVZZJSGM-JOCHJYFZSA-N 1 1 376.435 4.288 20 0 GIADMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)N[C@H]1CCOc2ccccc21 ZINC000050783590 822738799 /nfs/dbraw/zinc/73/87/99/822738799.db2.gz WCTAPADVVTUSEE-XUZZJYLKSA-N 1 1 390.458 4.145 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000051059394 822745341 /nfs/dbraw/zinc/74/53/41/822745341.db2.gz HEZMOTLHUKYWER-MRXNPFEDSA-N 1 1 375.900 4.123 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000051061052 822745544 /nfs/dbraw/zinc/74/55/44/822745544.db2.gz LOFHHKPJOWFNJY-MRXNPFEDSA-N 1 1 375.900 4.123 20 0 GIADMO COc1ccc(Cl)cc1C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000051098675 822746485 /nfs/dbraw/zinc/74/64/85/822746485.db2.gz LTUCQKPEAXBCGZ-UHFFFAOYSA-N 1 1 378.925 4.113 20 0 GIADMO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133179 822747470 /nfs/dbraw/zinc/74/74/70/822747470.db2.gz GVJKEUGRSMYKRE-RZFNWQHOSA-N 1 1 398.522 4.272 20 0 GIADMO CC[C@@H](C[N@H+](CC)Cn1nc(-c2ccncc2)n(C)c1=S)c1ccccc1 ZINC000185217545 822750487 /nfs/dbraw/zinc/75/04/87/822750487.db2.gz LCNBPHPMPAQLEC-KRWDZBQOSA-N 1 1 381.549 4.486 20 0 GIADMO CC[C@@H](C[N@@H+](CC)Cn1nc(-c2ccncc2)n(C)c1=S)c1ccccc1 ZINC000185217545 822750490 /nfs/dbraw/zinc/75/04/90/822750490.db2.gz LCNBPHPMPAQLEC-KRWDZBQOSA-N 1 1 381.549 4.486 20 0 GIADMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000185241715 822753703 /nfs/dbraw/zinc/75/37/03/822753703.db2.gz QXTVBTNQMIJFCV-UHFFFAOYSA-N 1 1 388.855 4.034 20 0 GIADMO Cc1cc(=O)oc2cc(OCC[NH2+][C@H](C)c3nc(C4CCCCC4)no3)ccc12 ZINC000185258841 822755747 /nfs/dbraw/zinc/75/57/47/822755747.db2.gz WCZXJJPKFINTEC-OAHLLOKOSA-N 1 1 397.475 4.262 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Br)c2)C2CC2)s1 ZINC000185290931 822760329 /nfs/dbraw/zinc/76/03/29/822760329.db2.gz HTQVLKARBOEMIL-IAQYHMDHSA-N 1 1 394.338 4.282 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H](C)C(=O)Nc2cccc(Br)c2)C2CC2)s1 ZINC000185290949 822760371 /nfs/dbraw/zinc/76/03/71/822760371.db2.gz HTQVLKARBOEMIL-ABAIWWIYSA-N 1 1 394.338 4.282 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C2CC2)s1 ZINC000185296022 822761295 /nfs/dbraw/zinc/76/12/95/822761295.db2.gz KXCVHHJSHBXDLV-BONVTDFDSA-N 1 1 390.509 4.268 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H](c4c(F)cccc4F)C3)cs2)cc1 ZINC000185306567 822762878 /nfs/dbraw/zinc/76/28/78/822762878.db2.gz WKPLGRJPXKYLKJ-HNNXBMFYSA-N 1 1 399.466 4.177 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H](c4c(F)cccc4F)C3)cs2)cc1 ZINC000185306567 822762879 /nfs/dbraw/zinc/76/28/79/822762879.db2.gz WKPLGRJPXKYLKJ-HNNXBMFYSA-N 1 1 399.466 4.177 20 0 GIADMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455998668 822764092 /nfs/dbraw/zinc/76/40/92/822764092.db2.gz QZYIDWCDBKCBCR-UHVFKWDWSA-N 1 1 382.935 4.470 20 0 GIADMO Cc1cnc([C@@H](NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000174293335 822765011 /nfs/dbraw/zinc/76/50/11/822765011.db2.gz WKGUJBXGEFOTIP-UXHICEINSA-N 1 1 398.576 4.209 20 0 GIADMO Cc1cnc([C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C2CC2)s1 ZINC000185318329 822765099 /nfs/dbraw/zinc/76/50/99/822765099.db2.gz DLJVWDHTXJVBFQ-LJQANCHMSA-N 1 1 381.501 4.215 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)s1 ZINC000185327691 822766756 /nfs/dbraw/zinc/76/67/56/822766756.db2.gz SIQCAMFYNIEXLZ-IAQYHMDHSA-N 1 1 399.438 4.418 20 0 GIADMO C[C@@H](CCOc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000174305891 822768108 /nfs/dbraw/zinc/76/81/08/822768108.db2.gz WXKDCTQNRCNLRF-ZSJMHYJMSA-N 1 1 392.543 4.403 20 0 GIADMO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000456042793 822770062 /nfs/dbraw/zinc/77/00/62/822770062.db2.gz BTSLDMXMWBNLHV-HXUWFJFHSA-N 1 1 377.532 4.300 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NCc1cccc(OCC(F)(F)F)c1 ZINC000051653503 822771526 /nfs/dbraw/zinc/77/15/26/822771526.db2.gz NOHOEGHRIOHMQT-MRXNPFEDSA-N 1 1 398.450 4.143 20 0 GIADMO CCCCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000185363613 822772126 /nfs/dbraw/zinc/77/21/26/822772126.db2.gz DGQMAKDEFMNIMF-UHFFFAOYSA-N 1 1 383.540 4.023 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C2CC2)s1 ZINC000185370275 822773348 /nfs/dbraw/zinc/77/33/48/822773348.db2.gz NNEZYTXQCQIZGT-INIZCTEOSA-N 1 1 394.338 4.202 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c(OC)c1 ZINC000051709660 822775650 /nfs/dbraw/zinc/77/56/50/822775650.db2.gz ZZLZMTCLNCWTGV-LAUBAEHRSA-N 1 1 382.504 4.060 20 0 GIADMO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000174345764 822775843 /nfs/dbraw/zinc/77/58/43/822775843.db2.gz XWBUUNXKWUKTDC-LJQANCHMSA-N 1 1 392.547 4.470 20 0 GIADMO C[C@@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174363942 822778338 /nfs/dbraw/zinc/77/83/38/822778338.db2.gz OJWJASPWAUDSMR-QGTPRVQTSA-N 1 1 383.458 4.077 20 0 GIADMO CCCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000051801963 822779313 /nfs/dbraw/zinc/77/93/13/822779313.db2.gz QYLQSUHQAFIOHE-GOSISDBHSA-N 1 1 387.568 4.155 20 0 GIADMO CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000051923759 822783099 /nfs/dbraw/zinc/78/30/99/822783099.db2.gz XSEAVOSOQIDMCK-HSZRJFAPSA-N 1 1 396.531 4.075 20 0 GIADMO CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000051923759 822783102 /nfs/dbraw/zinc/78/31/02/822783102.db2.gz XSEAVOSOQIDMCK-HSZRJFAPSA-N 1 1 396.531 4.075 20 0 GIADMO CC[N@H+](Cc1nc2ccccc2nc1C)CC1CCN(c2ccccn2)CC1 ZINC000174394343 822783401 /nfs/dbraw/zinc/78/34/01/822783401.db2.gz JOFZKGTYXGVFBW-UHFFFAOYSA-N 1 1 375.520 4.072 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000185449933 822785990 /nfs/dbraw/zinc/78/59/90/822785990.db2.gz BIUFOLGZEGKHGW-CQSZACIVSA-N 1 1 388.924 4.330 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(Br)cc2F)on1 ZINC000052010517 822786858 /nfs/dbraw/zinc/78/68/58/822786858.db2.gz LJRXRQLGGISFOS-OAHLLOKOSA-N 1 1 396.260 4.050 20 0 GIADMO CCSc1cccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000185492234 822790281 /nfs/dbraw/zinc/79/02/81/822790281.db2.gz GUVDZAZNVNPSIU-UHFFFAOYSA-N 1 1 392.590 4.165 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCC(C)CC4)CC3)co2)cc1 ZINC000052158554 822791654 /nfs/dbraw/zinc/79/16/54/822791654.db2.gz UQIXCWAVOCYLNG-UHFFFAOYSA-N 1 1 381.520 4.121 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000052162392 822791697 /nfs/dbraw/zinc/79/16/97/822791697.db2.gz MHJPOWUJORLCGP-HNNXBMFYSA-N 1 1 390.911 4.009 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)cc1OC ZINC000052162392 822791700 /nfs/dbraw/zinc/79/17/00/822791700.db2.gz MHJPOWUJORLCGP-HNNXBMFYSA-N 1 1 390.911 4.009 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000174451957 822791793 /nfs/dbraw/zinc/79/17/93/822791793.db2.gz WUSQCIOUCOVSML-UHFFFAOYSA-N 1 1 386.499 4.387 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000052191608 822792929 /nfs/dbraw/zinc/79/29/29/822792929.db2.gz PHKYBMAWBMLILO-UHFFFAOYSA-N 1 1 378.457 4.005 20 0 GIADMO O[C@H](C[C@H]1COCC[N@H+]1CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000185521307 822793169 /nfs/dbraw/zinc/79/31/69/822793169.db2.gz OWZFUZDFLVCLFU-SSHXOBKSSA-N 1 1 377.472 4.241 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccccn1 ZINC000052218190 822793463 /nfs/dbraw/zinc/79/34/63/822793463.db2.gz OGQTZDBUACNHPL-QFIPXVFZSA-N 1 1 379.529 4.259 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccccn1 ZINC000052218190 822793467 /nfs/dbraw/zinc/79/34/67/822793467.db2.gz OGQTZDBUACNHPL-QFIPXVFZSA-N 1 1 379.529 4.259 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000174468924 822794344 /nfs/dbraw/zinc/79/43/44/822794344.db2.gz HVZUKIFMUJDOEV-HIFRSBDPSA-N 1 1 386.367 4.395 20 0 GIADMO CCn1ccnc1C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000174471004 822794638 /nfs/dbraw/zinc/79/46/38/822794638.db2.gz XUTZOSFWACKGSN-UHFFFAOYSA-N 1 1 391.515 4.278 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)C1 ZINC000174480598 822795283 /nfs/dbraw/zinc/79/52/83/822795283.db2.gz CRAYHIQVVKXDNX-HNNXBMFYSA-N 1 1 388.458 4.054 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000185581367 822798866 /nfs/dbraw/zinc/79/88/66/822798866.db2.gz OZORBGOLZKEUSL-FQEVSTJZSA-N 1 1 382.504 4.214 20 0 GIADMO C[C@@H]1CN(C(=O)c2ccc([C@@H]3CCCOC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456328948 822799001 /nfs/dbraw/zinc/79/90/01/822799001.db2.gz IHXXYTXCBUOMQY-GBXCKJPGSA-N 1 1 392.543 4.175 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000185584494 822799381 /nfs/dbraw/zinc/79/93/81/822799381.db2.gz OCKKEZUADAYQEF-LJQANCHMSA-N 1 1 382.504 4.214 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)nc(C(F)(F)F)n3C(C)C)C1 ZINC000174514478 822799652 /nfs/dbraw/zinc/79/96/52/822799652.db2.gz DMHPBVXQXVKMDZ-CQSZACIVSA-N 1 1 396.457 4.050 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(C)c1 ZINC000052440522 822799805 /nfs/dbraw/zinc/79/98/05/822799805.db2.gz SGLASJPBUGFPHU-WMZHIEFXSA-N 1 1 380.532 4.384 20 0 GIADMO C[C@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456339504 822800177 /nfs/dbraw/zinc/80/01/77/822800177.db2.gz OXZHNNJMINDYBR-LJQANCHMSA-N 1 1 375.516 4.081 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)C1 ZINC000174522813 822800512 /nfs/dbraw/zinc/80/05/12/822800512.db2.gz BYKAYVCNKFAGCD-AWEZNQCLSA-N 1 1 394.487 4.430 20 0 GIADMO CCC[C@H](CCO)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000174526200 822801022 /nfs/dbraw/zinc/80/10/22/822801022.db2.gz SPMCWRNYQORYNS-GOSISDBHSA-N 1 1 375.557 4.371 20 0 GIADMO CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000052490034 822801367 /nfs/dbraw/zinc/80/13/67/822801367.db2.gz MRONBVMLSCSKMC-JOCHJYFZSA-N 1 1 384.495 4.204 20 0 GIADMO CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000052490034 822801369 /nfs/dbraw/zinc/80/13/69/822801369.db2.gz MRONBVMLSCSKMC-JOCHJYFZSA-N 1 1 384.495 4.204 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000174536595 822802600 /nfs/dbraw/zinc/80/26/00/822802600.db2.gz HPSLSCRJSOUXDS-UHFFFAOYSA-N 1 1 384.524 4.183 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(Cl)c3cccnc23)C2CC2)cc1 ZINC000052530217 822802799 /nfs/dbraw/zinc/80/27/99/822802799.db2.gz NVULMQPIGCMEJN-UHFFFAOYSA-N 1 1 379.891 4.412 20 0 GIADMO CCSc1cccc(CNc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)c1 ZINC000185619546 822803006 /nfs/dbraw/zinc/80/30/06/822803006.db2.gz DOTKTCIIJZIQJL-UHFFFAOYSA-N 1 1 383.561 4.075 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000174553938 822804416 /nfs/dbraw/zinc/80/44/16/822804416.db2.gz GDSHKDAPPWVQOJ-ZDUSSCGKSA-N 1 1 381.293 4.140 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000174553938 822804419 /nfs/dbraw/zinc/80/44/19/822804419.db2.gz GDSHKDAPPWVQOJ-ZDUSSCGKSA-N 1 1 381.293 4.140 20 0 GIADMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)NC1(c2ccccc2)CCC1 ZINC000052612104 822805161 /nfs/dbraw/zinc/80/51/61/822805161.db2.gz OCMRSFOJHPBOAV-SFHVURJKSA-N 1 1 389.499 4.203 20 0 GIADMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000185640562 822805766 /nfs/dbraw/zinc/80/57/66/822805766.db2.gz MGEOFKJBRRDYMA-MOPGFXCFSA-N 1 1 389.268 4.330 20 0 GIADMO COC(=O)c1oc([C@@H](C)[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1C ZINC000185652121 822806825 /nfs/dbraw/zinc/80/68/25/822806825.db2.gz MEODQHUTMGKZLD-GHMZBOCLSA-N 1 1 387.402 4.162 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1N1CCCC1 ZINC000174587630 822808753 /nfs/dbraw/zinc/80/87/53/822808753.db2.gz HNNKHMOWFMQWHS-NRFANRHFSA-N 1 1 392.547 4.273 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(CNC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2)cc1 ZINC000174599239 822810336 /nfs/dbraw/zinc/81/03/36/822810336.db2.gz RSLNMBWPLWHPAF-FRIKZZABSA-N 1 1 393.531 4.052 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)c2)cc1 ZINC000174599239 822810344 /nfs/dbraw/zinc/81/03/44/822810344.db2.gz RSLNMBWPLWHPAF-FRIKZZABSA-N 1 1 393.531 4.052 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000052829890 822812391 /nfs/dbraw/zinc/81/23/91/822812391.db2.gz GZTPIWTUOWCKFD-OAHLLOKOSA-N 1 1 398.869 4.273 20 0 GIADMO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1cccc(F)c1 ZINC000174612709 822812481 /nfs/dbraw/zinc/81/24/81/822812481.db2.gz ADRHVBZZQOGGQX-UGKGYDQZSA-N 1 1 382.523 4.075 20 0 GIADMO C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711734 822813014 /nfs/dbraw/zinc/81/30/14/822813014.db2.gz FNBLVYYLOIQXLA-JENIJYKNSA-N 1 1 391.987 4.102 20 0 GIADMO COc1ccc(C[N@@H+](Cc2csc(-c3cnn(C)c3)n2)[C@H](C)C2CC2)cc1 ZINC000052867123 822813548 /nfs/dbraw/zinc/81/35/48/822813548.db2.gz YQRGPTOBWTXSBN-OAHLLOKOSA-N 1 1 382.533 4.353 20 0 GIADMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000052906513 822814874 /nfs/dbraw/zinc/81/48/74/822814874.db2.gz ZBSSYFYTBRFJOS-UHFFFAOYSA-N 1 1 384.863 4.427 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000174631532 822814937 /nfs/dbraw/zinc/81/49/37/822814937.db2.gz KKBHZDXERSEKFB-PBHICJAKSA-N 1 1 385.474 4.107 20 0 GIADMO CCc1ccc([C@@H]([NH2+]Cc2cccc(O)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174633768 822815262 /nfs/dbraw/zinc/81/52/62/822815262.db2.gz XHXOSJPPRHWDJE-HSZRJFAPSA-N 1 1 395.524 4.237 20 0 GIADMO Cc1cc(-c2noc([C@H](C)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)ccc1F ZINC000185749177 822817488 /nfs/dbraw/zinc/81/74/88/822817488.db2.gz FGPTYEWSPWWGIW-XYJFISCASA-N 1 1 386.515 4.488 20 0 GIADMO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000053019181 822818859 /nfs/dbraw/zinc/81/88/59/822818859.db2.gz HWROGGOJURTYMU-UHFFFAOYSA-N 1 1 385.851 4.038 20 0 GIADMO C[C@H](NCCOc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768775 822819428 /nfs/dbraw/zinc/81/94/28/822819428.db2.gz QIMHUDGQHOKTOY-JKSUJKDBSA-N 1 1 381.358 4.071 20 0 GIADMO C[C@H](NCCOc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768775 822819432 /nfs/dbraw/zinc/81/94/32/822819432.db2.gz QIMHUDGQHOKTOY-JKSUJKDBSA-N 1 1 381.358 4.071 20 0 GIADMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000053049127 822819658 /nfs/dbraw/zinc/81/96/58/822819658.db2.gz VAVXXDDPZLHRCG-UHFFFAOYSA-N 1 1 378.850 4.147 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000185791001 822821564 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CCOc1ccc2cc(C(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000174926767 822856886 /nfs/dbraw/zinc/85/68/86/822856886.db2.gz RGDXTHAWDAWNRI-LJQANCHMSA-N 1 1 391.515 4.161 20 0 GIADMO COc1cccc(C([NH2+]Cc2cccc3c2OCCO3)c2cccc(OC)c2)c1 ZINC000174928519 822857183 /nfs/dbraw/zinc/85/71/83/822857183.db2.gz QXXGSPQOLDHKEO-UHFFFAOYSA-N 1 1 391.467 4.354 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2cccs2)n1 ZINC000174932201 822857816 /nfs/dbraw/zinc/85/78/16/822857816.db2.gz YUIZKUFWQTZTHG-KRWDZBQOSA-N 1 1 397.569 4.466 20 0 GIADMO Cc1cc(C)nc(SCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1 ZINC000054011573 822858624 /nfs/dbraw/zinc/85/86/24/822858624.db2.gz FCZCRRNRNQPPBD-UHFFFAOYSA-N 1 1 395.532 4.192 20 0 GIADMO COc1ccc(O[C@H](C)C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000054011511 822858649 /nfs/dbraw/zinc/85/86/49/822858649.db2.gz ZFAMELWQOXAXKQ-QGZVFWFLSA-N 1 1 393.487 4.469 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc4ccc(Cl)cc4[nH]3)cc2)CC1 ZINC000054012529 822858933 /nfs/dbraw/zinc/85/89/33/822858933.db2.gz QEXRJGMOSWWEOK-UHFFFAOYSA-N 1 1 382.895 4.216 20 0 GIADMO CN(Cc1csc(-c2ccccn2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174952554 822860416 /nfs/dbraw/zinc/86/04/16/822860416.db2.gz WOXOTAIQTCFCNV-HXUWFJFHSA-N 1 1 378.545 4.302 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000186203194 822860627 /nfs/dbraw/zinc/86/06/27/822860627.db2.gz NVZWYHOZYLWTDL-ZDUSSCGKSA-N 1 1 376.850 4.457 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000174954291 822860747 /nfs/dbraw/zinc/86/07/47/822860747.db2.gz DWNAJVHLFYPOQP-LBPRGKRZSA-N 1 1 392.758 4.249 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)cs1 ZINC000174962085 822861851 /nfs/dbraw/zinc/86/18/51/822861851.db2.gz ANMCEZANQNWFFA-HNNXBMFYSA-N 1 1 393.350 4.105 20 0 GIADMO COc1ccccc1C[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174963006 822861994 /nfs/dbraw/zinc/86/19/94/822861994.db2.gz LNWGJCIYSUFNKT-UNMCSNQZSA-N 1 1 394.559 4.244 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1SCCc2sccc21 ZINC000174963830 822862215 /nfs/dbraw/zinc/86/22/15/822862215.db2.gz CGNXLIQJRPRFDS-XLIONFOSSA-N 1 1 386.586 4.059 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000174969717 822862625 /nfs/dbraw/zinc/86/26/25/822862625.db2.gz PCJJJRWPSVWBES-LJQANCHMSA-N 1 1 394.563 4.110 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccn1Cc1cccs1 ZINC000174970060 822862784 /nfs/dbraw/zinc/86/27/84/822862784.db2.gz UEDAGLUCTQRHRF-HXUWFJFHSA-N 1 1 393.556 4.192 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000054172828 822865579 /nfs/dbraw/zinc/86/55/79/822865579.db2.gz RQLVCMZJCPYFOO-GOSISDBHSA-N 1 1 375.398 4.168 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000054182351 822866305 /nfs/dbraw/zinc/86/63/05/822866305.db2.gz CBRQYYYZLIQFOX-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000054182351 822866310 /nfs/dbraw/zinc/86/63/10/822866310.db2.gz CBRQYYYZLIQFOX-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1nc(-c2ccccc2)cs1 ZINC000568971585 822866510 /nfs/dbraw/zinc/86/65/10/822866510.db2.gz LHTZDHHAMKAQLJ-QAPCUYQASA-N 1 1 384.549 4.187 20 0 GIADMO COc1cccc(F)c1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000186262480 822866617 /nfs/dbraw/zinc/86/66/17/822866617.db2.gz RYCPXKKXIWZUDS-UHFFFAOYSA-N 1 1 397.450 4.381 20 0 GIADMO COc1cccc(F)c1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000186262480 822866622 /nfs/dbraw/zinc/86/66/22/822866622.db2.gz RYCPXKKXIWZUDS-UHFFFAOYSA-N 1 1 397.450 4.381 20 0 GIADMO COc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(C)C ZINC000186267883 822867544 /nfs/dbraw/zinc/86/75/44/822867544.db2.gz AHULAAUYMSERPP-SJORKVTESA-N 1 1 389.540 4.257 20 0 GIADMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1ccccc1 ZINC000457334551 822867724 /nfs/dbraw/zinc/86/77/24/822867724.db2.gz WAMOJTKPJKUIGR-LJQANCHMSA-N 1 1 391.437 4.196 20 0 GIADMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1ccccc1 ZINC000457334551 822867727 /nfs/dbraw/zinc/86/77/27/822867727.db2.gz WAMOJTKPJKUIGR-LJQANCHMSA-N 1 1 391.437 4.196 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000054202829 822868303 /nfs/dbraw/zinc/86/83/03/822868303.db2.gz AJRUAERSBJBHKL-QGZVFWFLSA-N 1 1 384.549 4.437 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000054202829 822868306 /nfs/dbraw/zinc/86/83/06/822868306.db2.gz AJRUAERSBJBHKL-QGZVFWFLSA-N 1 1 384.549 4.437 20 0 GIADMO COc1cccc(F)c1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000186277616 822869054 /nfs/dbraw/zinc/86/90/54/822869054.db2.gz DELQFKYIWGJHDB-AYHJJNSGSA-N 1 1 383.467 4.151 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cs2)o1 ZINC000054223383 822869249 /nfs/dbraw/zinc/86/92/49/822869249.db2.gz QQZOITYVKUKCEK-FUHWJXTLSA-N 1 1 395.528 4.206 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Br)C1 ZINC000054225362 822869438 /nfs/dbraw/zinc/86/94/38/822869438.db2.gz XCKACDANSKEXFL-CJNGLKHVSA-N 1 1 391.284 4.154 20 0 GIADMO O=C(C/C=C/c1ccc(F)cc1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000175026545 822870194 /nfs/dbraw/zinc/87/01/94/822870194.db2.gz JKLSXFVZEDDNPY-OWOJBTEDSA-N 1 1 388.433 4.288 20 0 GIADMO CCc1ccc([C@@H]2CCCCN2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000175027485 822870375 /nfs/dbraw/zinc/87/03/75/822870375.db2.gz MUURIUUZJCPZFN-FQEVSTJZSA-N 1 1 396.535 4.451 20 0 GIADMO COc1ccccc1C[N@@H+](Cc1ccc(OCc2nccn2C)cc1)C1CC1 ZINC000054255628 822871217 /nfs/dbraw/zinc/87/12/17/822871217.db2.gz SYYMDDQUHQNIFY-UHFFFAOYSA-N 1 1 377.488 4.172 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1c(Cl)cccc1Cl ZINC000175039195 822872332 /nfs/dbraw/zinc/87/23/32/822872332.db2.gz IQKKBCCWDZSWLW-UHFFFAOYSA-N 1 1 379.287 4.120 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC000054296883 822873801 /nfs/dbraw/zinc/87/38/01/822873801.db2.gz GKIXZALBGUENPI-UGKGYDQZSA-N 1 1 382.548 4.071 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186313940 822874930 /nfs/dbraw/zinc/87/49/30/822874930.db2.gz PKTWZRBXIYUFEU-HNNXBMFYSA-N 1 1 397.450 4.379 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1[nH]ccc1C1CC1 ZINC000457445474 822875614 /nfs/dbraw/zinc/87/56/14/822875614.db2.gz CAYDJZLRLTZUDF-FQEVSTJZSA-N 1 1 391.540 4.483 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1[nH]ccc1C1CC1 ZINC000457445474 822875618 /nfs/dbraw/zinc/87/56/18/822875618.db2.gz CAYDJZLRLTZUDF-FQEVSTJZSA-N 1 1 391.540 4.483 20 0 GIADMO CCC[C@H]([NH2+]Cc1cn(C)nc1C(=O)OCC)c1cccc(C(F)(F)F)c1 ZINC000186331169 822877165 /nfs/dbraw/zinc/87/71/65/822877165.db2.gz QHIDYNXZVCCORF-INIZCTEOSA-N 1 1 383.414 4.247 20 0 GIADMO Cc1nc(-c2ccc(NC(=O)NCC[N@@H+]3CCc4sccc4C3)cc2)cs1 ZINC000054386112 822880427 /nfs/dbraw/zinc/88/04/27/822880427.db2.gz HAUFKGNGBOPMEM-UHFFFAOYSA-N 1 1 398.557 4.360 20 0 GIADMO Cc1nc(-c2ccc(NC(=O)NCC[N@H+]3CCc4sccc4C3)cc2)cs1 ZINC000054386112 822880433 /nfs/dbraw/zinc/88/04/33/822880433.db2.gz HAUFKGNGBOPMEM-UHFFFAOYSA-N 1 1 398.557 4.360 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1 ZINC000054387526 822880526 /nfs/dbraw/zinc/88/05/26/822880526.db2.gz FIEOMOHIMMAWCO-MRXNPFEDSA-N 1 1 398.507 4.164 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000457488931 822880601 /nfs/dbraw/zinc/88/06/01/822880601.db2.gz WNEBMGTXOHRJIG-AWEZNQCLSA-N 1 1 392.412 4.467 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(N(CC)c2ccccc2)cc1 ZINC000186357262 822881315 /nfs/dbraw/zinc/88/13/15/822881315.db2.gz IJQIGVPNEIKKPQ-UHFFFAOYSA-N 1 1 392.503 4.045 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N1CC(C)(C)[C@@H]1c1ccncc1)c1ccccc1Cl ZINC000457492053 822881404 /nfs/dbraw/zinc/88/14/04/822881404.db2.gz WABJLBQOGUIKBE-OALUTQOASA-N 1 1 386.927 4.130 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054406248 822882571 /nfs/dbraw/zinc/88/25/71/822882571.db2.gz NQHPQLATSKXPCW-UWJYYQICSA-N 1 1 394.519 4.238 20 0 GIADMO O=C1C[C@H](c2ccccc2)N1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000054428448 822884471 /nfs/dbraw/zinc/88/44/71/822884471.db2.gz SSMJJJKCTNJCIR-PKOBYXMFSA-N 1 1 377.513 4.407 20 0 GIADMO O=C1C[C@H](c2ccccc2)N1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000054428448 822884476 /nfs/dbraw/zinc/88/44/76/822884476.db2.gz SSMJJJKCTNJCIR-PKOBYXMFSA-N 1 1 377.513 4.407 20 0 GIADMO CCCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1OC ZINC000569155355 822885365 /nfs/dbraw/zinc/88/53/65/822885365.db2.gz CLLICJWXCMPWAM-FSSWDIPSSA-N 1 1 381.516 4.489 20 0 GIADMO CCc1cnc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)s1 ZINC000175121106 822886189 /nfs/dbraw/zinc/88/61/89/822886189.db2.gz TUCGSPGOPLMMMJ-MRXNPFEDSA-N 1 1 386.565 4.079 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000186388664 822886342 /nfs/dbraw/zinc/88/63/42/822886342.db2.gz JGNUZUMHOQQQNV-QGZVFWFLSA-N 1 1 397.441 4.493 20 0 GIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CCCCC(C)C)CC2)c1C ZINC000457529168 822886438 /nfs/dbraw/zinc/88/64/38/822886438.db2.gz NIBUGFHEODSCBM-UHFFFAOYSA-N 1 1 389.584 4.346 20 0 GIADMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2noc3ccc(Cl)cc32)C1 ZINC000569165244 822887007 /nfs/dbraw/zinc/88/70/07/822887007.db2.gz LTFUOCZUMICILP-ZDUSSCGKSA-N 1 1 376.913 4.204 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(OC(C)C)cc2Cl)C1 ZINC000457538784 822887791 /nfs/dbraw/zinc/88/77/91/822887791.db2.gz GUUNFMQMLSADED-OAHLLOKOSA-N 1 1 375.900 4.363 20 0 GIADMO Cc1cc(Br)c(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000457559296 822891017 /nfs/dbraw/zinc/89/10/17/822891017.db2.gz OVACLMNQXILQQR-LBPRGKRZSA-N 1 1 381.339 4.069 20 0 GIADMO Cc1cnc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000186416804 822891131 /nfs/dbraw/zinc/89/11/31/822891131.db2.gz FDZYWUIOSRAHHM-ZFWWWQNUSA-N 1 1 383.521 4.110 20 0 GIADMO C[C@@H](c1ccc(NC(=O)NC[C@H]2CSc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000569199156 822891874 /nfs/dbraw/zinc/89/18/74/822891874.db2.gz UQKXWSANIJOSAW-WMZOPIPTSA-N 1 1 397.544 4.091 20 0 GIADMO Cc1ccc(Oc2ccc(C(=O)N3CCC[N@H+](C4CCCC4)CC3)nc2)cc1 ZINC000457576148 822893787 /nfs/dbraw/zinc/89/37/87/822893787.db2.gz LVMKWXJZQXGWPX-UHFFFAOYSA-N 1 1 379.504 4.273 20 0 GIADMO Cc1cccc(Oc2ccc(C(=O)N3CCC[N@H+](C4CCCC4)CC3)nc2)c1 ZINC000457585634 822894560 /nfs/dbraw/zinc/89/45/60/822894560.db2.gz VFHKFIKONSENRK-UHFFFAOYSA-N 1 1 379.504 4.273 20 0 GIADMO CC(=O)Nc1cccc(-n2cnn(C[N@@H+]3CCC[C@@H]3C3CCCCC3)c2=S)c1 ZINC000054549883 822894797 /nfs/dbraw/zinc/89/47/97/822894797.db2.gz MSPOYLKRGLDYST-HXUWFJFHSA-N 1 1 399.564 4.364 20 0 GIADMO CC(=O)Nc1cccc(-n2cnn(C[N@H+]3CCC[C@@H]3C3CCCCC3)c2=S)c1 ZINC000054549883 822894802 /nfs/dbraw/zinc/89/48/02/822894802.db2.gz MSPOYLKRGLDYST-HXUWFJFHSA-N 1 1 399.564 4.364 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CCCC[C@H]1C ZINC000569232546 822895137 /nfs/dbraw/zinc/89/51/37/822895137.db2.gz FXOHDLNAUNNMQT-UIFIKXQLSA-N 1 1 380.536 4.403 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186443373 822896583 /nfs/dbraw/zinc/89/65/83/822896583.db2.gz DEYZKAPYLNXMEY-RUZDIDTESA-N 1 1 387.527 4.488 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457624802 822898446 /nfs/dbraw/zinc/89/84/46/822898446.db2.gz RXNBILPYVYIDOX-MRXNPFEDSA-N 1 1 387.911 4.331 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000054608215 822898802 /nfs/dbraw/zinc/89/88/02/822898802.db2.gz IHLRFJWWUYSIIS-UHFFFAOYSA-N 1 1 391.519 4.215 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(-n2cccn2)cc1 ZINC000186464998 822899816 /nfs/dbraw/zinc/89/98/16/822899816.db2.gz SISOASKXUDENEZ-OAHLLOKOSA-N 1 1 392.894 4.172 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C2CC2)s1 ZINC000186469508 822900329 /nfs/dbraw/zinc/90/03/29/822900329.db2.gz ATVCGVLNHADGFK-HOCLYGCPSA-N 1 1 395.450 4.317 20 0 GIADMO c1csc(N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000054635479 822900656 /nfs/dbraw/zinc/90/06/56/822900656.db2.gz OKABGWSTORUZGX-UHFFFAOYSA-N 1 1 379.529 4.071 20 0 GIADMO COC[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000457649350 822901187 /nfs/dbraw/zinc/90/11/87/822901187.db2.gz LGYLKZURLOEEJW-DENIHFKCSA-N 1 1 387.568 4.019 20 0 GIADMO CC(C)(C)OC1CC([NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000569285672 822901565 /nfs/dbraw/zinc/90/15/65/822901565.db2.gz WKTRUHAMLBNXQT-UHFFFAOYSA-N 1 1 385.335 4.097 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457669772 822904316 /nfs/dbraw/zinc/90/43/16/822904316.db2.gz NSRBHESFJWRWDX-MGPUTAFESA-N 1 1 385.895 4.084 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N(C)CCCn2cc[nH+]c2C)s1 ZINC000457672745 822904467 /nfs/dbraw/zinc/90/44/67/822904467.db2.gz LKHHODYKNBCHOS-UHFFFAOYSA-N 1 1 383.517 4.303 20 0 GIADMO C[C@H](CC(F)(F)F)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457675547 822904958 /nfs/dbraw/zinc/90/49/58/822904958.db2.gz ASKRLKPTFWESRH-IXPVHAAZSA-N 1 1 380.813 4.177 20 0 GIADMO CCc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](c4nc(C)no4)C3)c2cc1Cl ZINC000054676996 822905085 /nfs/dbraw/zinc/90/50/85/822905085.db2.gz KQPLRFUKKCLLPH-CQSZACIVSA-N 1 1 387.867 4.080 20 0 GIADMO Cc1c(Cl)cncc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457684190 822906278 /nfs/dbraw/zinc/90/62/78/822906278.db2.gz HYKLRCCAJKGZOM-UGSOOPFHSA-N 1 1 396.293 4.259 20 0 GIADMO C[C@@H](NC(=O)Cc1ccccc1OC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000457694760 822907750 /nfs/dbraw/zinc/90/77/50/822907750.db2.gz JERGSKPIUANWSH-QUCCMNQESA-N 1 1 384.564 4.320 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)s1 ZINC000457700997 822908371 /nfs/dbraw/zinc/90/83/71/822908371.db2.gz HNBNUGQVTMAGLU-GFCCVEGCSA-N 1 1 381.339 4.069 20 0 GIADMO CCOc1cc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1OC ZINC000175227540 822909165 /nfs/dbraw/zinc/90/91/65/822909165.db2.gz MXMXWPYJOJYFLW-GOSISDBHSA-N 1 1 397.519 4.222 20 0 GIADMO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054762200 822910933 /nfs/dbraw/zinc/91/09/33/822910933.db2.gz MNGPOVSAMZOIPR-INIZCTEOSA-N 1 1 382.533 4.131 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C1 ZINC000457730681 822911877 /nfs/dbraw/zinc/91/18/77/822911877.db2.gz IKCVOVBGNROIBK-GHTZIAJQSA-N 1 1 397.567 4.312 20 0 GIADMO COc1ccc([C@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c2ccco2)cc1 ZINC000457734755 822912407 /nfs/dbraw/zinc/91/24/07/822912407.db2.gz KRYGYMBURCFXPL-AVRDEDQJSA-N 1 1 399.535 4.189 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1noc(Cc2ccccc2)n1 ZINC000569381975 822913728 /nfs/dbraw/zinc/91/37/28/822913728.db2.gz JMMYYSDJURVOOO-OAQYLSRUSA-N 1 1 390.531 4.051 20 0 GIADMO O=C(N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1(C(F)F)CCCC1 ZINC000569384232 822914088 /nfs/dbraw/zinc/91/40/88/822914088.db2.gz RBJKALYULKHRGF-UHFFFAOYSA-N 1 1 376.491 4.327 20 0 GIADMO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c(-c2cnn(C)c2)c1 ZINC000569384769 822914121 /nfs/dbraw/zinc/91/41/21/822914121.db2.gz OFMDIZKEPVUSPN-HSZRJFAPSA-N 1 1 379.479 4.417 20 0 GIADMO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)c(-c2cnn(C)c2)c1 ZINC000569384769 822914124 /nfs/dbraw/zinc/91/41/24/822914124.db2.gz OFMDIZKEPVUSPN-HSZRJFAPSA-N 1 1 379.479 4.417 20 0 GIADMO O=C(c1ccccc1)C1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000054808406 822914622 /nfs/dbraw/zinc/91/46/22/822914622.db2.gz COXZINYIYHGCIF-UHFFFAOYSA-N 1 1 390.527 4.408 20 0 GIADMO Cc1[nH+]ccn1CC(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000457765915 822916611 /nfs/dbraw/zinc/91/66/11/822916611.db2.gz XMACPIMSHUZTML-CYBMUJFWSA-N 1 1 379.304 4.020 20 0 GIADMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000186603320 822922094 /nfs/dbraw/zinc/92/20/94/822922094.db2.gz QBZLWHBDUZHPHV-HOTGVXAUSA-N 1 1 389.531 4.018 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000186603362 822922106 /nfs/dbraw/zinc/92/21/06/822922106.db2.gz QBZLWHBDUZHPHV-JKSUJKDBSA-N 1 1 389.531 4.018 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000054920162 822922089 /nfs/dbraw/zinc/92/20/89/822922089.db2.gz HUKCJWOQACAAIX-MAUKXSAKSA-N 1 1 381.476 4.105 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000175279204 822922790 /nfs/dbraw/zinc/92/27/90/822922790.db2.gz OJZXPBZIOQIEJX-HXUWFJFHSA-N 1 1 396.506 4.159 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c2ccccc12 ZINC000175280489 822923090 /nfs/dbraw/zinc/92/30/90/822923090.db2.gz IXDJHPUVQFNUDM-NRFANRHFSA-N 1 1 389.543 4.471 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000175281345 822923194 /nfs/dbraw/zinc/92/31/94/822923194.db2.gz WGNJZMNCKCWZID-NRFANRHFSA-N 1 1 389.543 4.389 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](c3ccccc3)c3ccc(F)cc3)C2)C1 ZINC000457834003 822924020 /nfs/dbraw/zinc/92/40/20/822924020.db2.gz QQJPDPGHJQYAIH-FYYLOGMGSA-N 1 1 381.495 4.042 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000175285541 822924506 /nfs/dbraw/zinc/92/45/06/822924506.db2.gz JGUQLLXHYAADAL-FQEVSTJZSA-N 1 1 380.507 4.228 20 0 GIADMO Fc1ccc(NC(=S)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000054969883 822926026 /nfs/dbraw/zinc/92/60/26/822926026.db2.gz LZUDLDAPEMTLKY-UHFFFAOYSA-N 1 1 397.441 4.194 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1cccs1)c1ccc(F)cc1 ZINC000054970500 822926388 /nfs/dbraw/zinc/92/63/88/822926388.db2.gz ZBGUFNLSOZPMHR-KRWDZBQOSA-N 1 1 377.554 4.253 20 0 GIADMO C/C=C/c1ccc(OC[C@H](O)C[NH2+]Cc2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000569474412 822927441 /nfs/dbraw/zinc/92/74/41/822927441.db2.gz DMGDQAFRFCAGOO-FYCOFBDGSA-N 1 1 390.549 4.012 20 0 GIADMO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCSC[C@@H]2c2nccs2)CC1 ZINC000186641302 822928120 /nfs/dbraw/zinc/92/81/20/822928120.db2.gz MSWDIIYEXRGHLH-MRXNPFEDSA-N 1 1 397.610 4.270 20 0 GIADMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCSC[C@@H]2c2nccs2)CC1 ZINC000186641302 822928122 /nfs/dbraw/zinc/92/81/22/822928122.db2.gz MSWDIIYEXRGHLH-MRXNPFEDSA-N 1 1 397.610 4.270 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000186644848 822928885 /nfs/dbraw/zinc/92/88/85/822928885.db2.gz IIHUVPBVAPVXSD-WAIKUNEKSA-N 1 1 392.478 4.126 20 0 GIADMO Cc1c(Cl)cccc1NC(=S)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000055005160 822930038 /nfs/dbraw/zinc/93/00/38/822930038.db2.gz BDSCPXJGUZKGMU-UHFFFAOYSA-N 1 1 389.952 4.332 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000186658305 822931255 /nfs/dbraw/zinc/93/12/55/822931255.db2.gz XJSVJPHZLLJSHQ-VSDWSMLSSA-N 1 1 378.495 4.074 20 0 GIADMO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)C1 ZINC000186658305 822931260 /nfs/dbraw/zinc/93/12/60/822931260.db2.gz XJSVJPHZLLJSHQ-VSDWSMLSSA-N 1 1 378.495 4.074 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)cc1OCc1ccccc1 ZINC000569515444 822932842 /nfs/dbraw/zinc/93/28/42/822932842.db2.gz IZGLMQWRFMZOKR-NRFANRHFSA-N 1 1 377.488 4.226 20 0 GIADMO CO[C@H](C)c1nc(CN2CCC[N@@H+](C[C@@H]3CC(C)=C[C@H](C)C3)CC2)cs1 ZINC000569515968 822933177 /nfs/dbraw/zinc/93/31/77/822933177.db2.gz UOJSLSNLKZECPU-UHOSZYNNSA-N 1 1 377.598 4.351 20 0 GIADMO CO[C@H](C)c1nc(CN2CCC[N@@H+](C[C@@H]3CC(C)=C[C@@H](C)C3)CC2)cs1 ZINC000569515966 822933219 /nfs/dbraw/zinc/93/32/19/822933219.db2.gz UOJSLSNLKZECPU-QRQLOZEOSA-N 1 1 377.598 4.351 20 0 GIADMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000186674340 822934551 /nfs/dbraw/zinc/93/45/51/822934551.db2.gz NRABNEZIXJFAMK-OAHLLOKOSA-N 1 1 389.952 4.202 20 0 GIADMO O[C@@H](COc1cccc2[nH]ccc21)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000569545594 822938042 /nfs/dbraw/zinc/93/80/42/822938042.db2.gz NJZGZMJVUYTPPH-IERDGZPVSA-N 1 1 390.487 4.011 20 0 GIADMO O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000569545594 822938048 /nfs/dbraw/zinc/93/80/48/822938048.db2.gz NJZGZMJVUYTPPH-IERDGZPVSA-N 1 1 390.487 4.011 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457939337 822940775 /nfs/dbraw/zinc/94/07/75/822940775.db2.gz POXUCTKBGMAAGA-FUHWJXTLSA-N 1 1 386.565 4.304 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc2ccccc2c1 ZINC000186708610 822941686 /nfs/dbraw/zinc/94/16/86/822941686.db2.gz VCRSPEHKILZGFP-IQGLISFBSA-N 1 1 386.495 4.148 20 0 GIADMO C[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc2ccccc2c1 ZINC000186708610 822941687 /nfs/dbraw/zinc/94/16/87/822941687.db2.gz VCRSPEHKILZGFP-IQGLISFBSA-N 1 1 386.495 4.148 20 0 GIADMO COC[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000175358416 822944998 /nfs/dbraw/zinc/94/49/98/822944998.db2.gz XUKQDWWDSNCXBF-NRFANRHFSA-N 1 1 399.535 4.231 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000569626425 822946859 /nfs/dbraw/zinc/94/68/59/822946859.db2.gz JLCCKSZUXZMSRM-FZKQIMNGSA-N 1 1 384.351 4.474 20 0 GIADMO COC[C@@H]([NH2+]Cc1cc(C)nc(N2CCCC2)c1)c1cccc(Cl)c1F ZINC000569630206 822947323 /nfs/dbraw/zinc/94/73/23/822947323.db2.gz VMMXWYAESFDFFA-GOSISDBHSA-N 1 1 377.891 4.260 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N(C)[C@@H](C)c3ccccc3)C2)cc1 ZINC000569657098 822951222 /nfs/dbraw/zinc/95/12/22/822951222.db2.gz ZDVZBMYQNGGXCR-PZJWPPBQSA-N 1 1 380.532 4.169 20 0 GIADMO C[NH+](C)[C@@H](C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1 ZINC000175385180 822954089 /nfs/dbraw/zinc/95/40/89/822954089.db2.gz KBLXFZBFIKJESE-OAQYLSRUSA-N 1 1 379.504 4.447 20 0 GIADMO CCc1sc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1Br ZINC000569680662 822954696 /nfs/dbraw/zinc/95/46/96/822954696.db2.gz OYLGRJAHAZXWPW-LBPRGKRZSA-N 1 1 385.371 4.019 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)CC[N@H+]1C ZINC000175387988 822955179 /nfs/dbraw/zinc/95/51/79/822955179.db2.gz ILZBPBPDESHIAN-PGRDOPGGSA-N 1 1 380.536 4.269 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000055404764 822958149 /nfs/dbraw/zinc/95/81/49/822958149.db2.gz QYSXMINGUIDUDD-HZPDHXFCSA-N 1 1 389.927 4.164 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458102277 822958611 /nfs/dbraw/zinc/95/86/11/822958611.db2.gz AHJNXVPPLIXPIH-OAQYLSRUSA-N 1 1 379.504 4.418 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1Br ZINC000175403570 822960584 /nfs/dbraw/zinc/96/05/84/822960584.db2.gz TWDWGTSJABSGBU-JCQPUDPBSA-N 1 1 396.350 4.388 20 0 GIADMO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000186823902 822961664 /nfs/dbraw/zinc/96/16/64/822961664.db2.gz CMEJDDAQBCEFCH-MAUKXSAKSA-N 1 1 395.544 4.257 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000569741963 822962034 /nfs/dbraw/zinc/96/20/34/822962034.db2.gz DZVCZGNIQRJRGS-AWEZNQCLSA-N 1 1 384.351 4.271 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000175415976 822963823 /nfs/dbraw/zinc/96/38/23/822963823.db2.gz DUGUPEDYEQMFQN-LJQANCHMSA-N 1 1 391.540 4.404 20 0 GIADMO Cc1cc(CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(C)s1 ZINC000175420306 822964556 /nfs/dbraw/zinc/96/45/56/822964556.db2.gz SHTBFEOSYZVKFO-HRAATJIYSA-N 1 1 385.577 4.109 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)CCSc2ccnc3cc(Cl)ccc32)C1 ZINC000458176458 822965282 /nfs/dbraw/zinc/96/52/82/822965282.db2.gz CYODPEQJCZHKSW-OAHLLOKOSA-N 1 1 391.968 4.219 20 0 GIADMO Cc1cc(C[N@H+]2CCSC3(CCOCC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000186843954 822966262 /nfs/dbraw/zinc/96/62/62/822966262.db2.gz ZVBVUXAKTRKHHM-UHFFFAOYSA-N 1 1 389.952 4.203 20 0 GIADMO Cc1ccc([C@@H]2CCCCCN2C(=O)NCC[N@@H+]2CCc3sccc3C2)o1 ZINC000569769780 822966291 /nfs/dbraw/zinc/96/62/91/822966291.db2.gz LPXIJOSAOOQTNN-SFHVURJKSA-N 1 1 387.549 4.335 20 0 GIADMO Cc1ccc([C@@H]2CCCCCN2C(=O)NCC[N@H+]2CCc3sccc3C2)o1 ZINC000569769780 822966292 /nfs/dbraw/zinc/96/62/92/822966292.db2.gz LPXIJOSAOOQTNN-SFHVURJKSA-N 1 1 387.549 4.335 20 0 GIADMO CC(C)OCc1nc([C@@H](C)[NH2+]CCCc2ccccc2Br)no1 ZINC000569771202 822966567 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JASCSEOVEUTOFC-RTWAWAEBSA-N 1 1 386.923 4.153 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C(C)(C)C)cc1 ZINC000570005817 822995528 /nfs/dbraw/zinc/99/55/28/822995528.db2.gz XFKUJRPUHIEHNE-MRXNPFEDSA-N 1 1 386.458 4.097 20 0 GIADMO CC(F)(F)c1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000187005470 822996004 /nfs/dbraw/zinc/99/60/04/822996004.db2.gz ZVCNSAGLUNECHF-GOSISDBHSA-N 1 1 387.474 4.484 20 0 GIADMO COc1ccc(-c2noc(C[NH2+]C3(c4ccc(Cl)cc4)CCCCC3)n2)nn1 ZINC000570015739 822997270 /nfs/dbraw/zinc/99/72/70/822997270.db2.gz LKOYDSODIVRJPZ-UHFFFAOYSA-N 1 1 399.882 4.138 20 0 GIADMO CC[NH+](CC)CCOc1ccccc1NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175562868 822998315 /nfs/dbraw/zinc/99/83/15/822998315.db2.gz OQLGGQIUAQGUIO-UHFFFAOYSA-N 1 1 394.519 4.163 20 0 GIADMO CCSc1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC000187019906 822998640 /nfs/dbraw/zinc/99/86/40/822998640.db2.gz ICUWMZZIDUZQRL-XLIONFOSSA-N 1 1 398.576 4.046 20 0 GIADMO O=C(NCc1nc(C[NH2+]C2(c3ccccc3)CCC2)cs1)c1ccccc1 ZINC000175568901 822999348 /nfs/dbraw/zinc/99/93/48/822999348.db2.gz BQUIJASVGPPOMP-UHFFFAOYSA-N 1 1 377.513 4.242 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c2)oc1C ZINC000175569908 822999558 /nfs/dbraw/zinc/99/95/58/822999558.db2.gz ZLCYHCNCCNQQLL-HXUWFJFHSA-N 1 1 382.508 4.344 20 0 GIADMO Cc1ccc(NC(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046371 823000489 /nfs/dbraw/zinc/00/04/89/823000489.db2.gz XSKRSZWAWYSKDP-LJQANCHMSA-N 1 1 397.950 4.374 20 0 GIADMO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c(Cl)c1 ZINC000570046371 823000492 /nfs/dbraw/zinc/00/04/92/823000492.db2.gz XSKRSZWAWYSKDP-LJQANCHMSA-N 1 1 397.950 4.374 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cccc(C(=O)OC(C)(C)C)n1 ZINC000570062317 823001824 /nfs/dbraw/zinc/00/18/24/823001824.db2.gz WCQSUWAFYMZAGY-SFHVURJKSA-N 1 1 381.520 4.138 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](OC)c1ccccc1 ZINC000570061115 823001980 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VAGZCXSWILAXTG-GAJHUEQPSA-N 1 1 375.516 4.124 20 0 GIADMO CC[C@H](C(=O)N1CC(c2nc3ccccc3s2)C1)[N@@H+](C)Cc1ccccc1 ZINC000570092057 823005143 /nfs/dbraw/zinc/00/51/43/823005143.db2.gz DDBWBGLUDHZGBX-LJQANCHMSA-N 1 1 379.529 4.133 20 0 GIADMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(OCC2CCCC2)CC1 ZINC000175608901 823006022 /nfs/dbraw/zinc/00/60/22/823006022.db2.gz VHRRUEZKJIUULA-QFIPXVFZSA-N 1 1 384.564 4.096 20 0 GIADMO COc1ccc(-n2c(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)nc3ccccc32)cc1 ZINC000570112536 823006765 /nfs/dbraw/zinc/00/67/65/823006765.db2.gz PUEXKLVQCMPERU-FGZHOGPDSA-N 1 1 377.488 4.178 20 0 GIADMO COc1cc(C[NH2+]Cc2ncccc2N(C)C)ccc1OCc1ccccc1 ZINC000570131373 823008843 /nfs/dbraw/zinc/00/88/43/823008843.db2.gz LNWCTDHCPPGZGG-UHFFFAOYSA-N 1 1 377.488 4.025 20 0 GIADMO C[C@H](CN[C@H](C)c1ncc(Br)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000187086117 823008883 /nfs/dbraw/zinc/00/88/83/823008883.db2.gz KFEHYPDINOBONT-ZIAGYGMSSA-N 1 1 392.316 4.081 20 0 GIADMO C[C@H](CN[C@H](C)c1ncc(Br)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000187086117 823008885 /nfs/dbraw/zinc/00/88/85/823008885.db2.gz KFEHYPDINOBONT-ZIAGYGMSSA-N 1 1 392.316 4.081 20 0 GIADMO Fc1ccc([C@@H]([NH2+]Cc2cnnn2Cc2ccccc2)c2cccs2)cc1 ZINC000570143196 823010074 /nfs/dbraw/zinc/01/00/74/823010074.db2.gz TYOSCOBJSSOUBT-OAQYLSRUSA-N 1 1 378.476 4.406 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1C ZINC000175643410 823011816 /nfs/dbraw/zinc/01/18/16/823011816.db2.gz MDYTZZKGKFWPJV-SFHVURJKSA-N 1 1 386.540 4.120 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2occc2Br)C1 ZINC000175668651 823016702 /nfs/dbraw/zinc/01/67/02/823016702.db2.gz NOKWFYHWBSMWJO-CQSZACIVSA-N 1 1 391.309 4.204 20 0 GIADMO CCN(C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)[C@H](C)Cc1ccsc1 ZINC000187142907 823017067 /nfs/dbraw/zinc/01/70/67/823017067.db2.gz KCTCUAVJPBHBDA-QGZVFWFLSA-N 1 1 386.565 4.083 20 0 GIADMO COCc1ccccc1/C=C(/C)C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000570233244 823017303 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383.536 4.074 20 0 GIADMO O=C1CCCCN1C1CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000187178661 823021469 /nfs/dbraw/zinc/02/14/69/823021469.db2.gz UXRFOBYVDADUBK-UHFFFAOYSA-N 1 1 389.952 4.440 20 0 GIADMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000570293920 823023134 /nfs/dbraw/zinc/02/31/34/823023134.db2.gz PJPBAITVRYDWFG-IBGZPJMESA-N 1 1 379.504 4.130 20 0 GIADMO CC[N@H+](C)Cc1cccc(CNCc2cccc(Br)c2OC)c1 ZINC000187206939 823024813 /nfs/dbraw/zinc/02/48/13/823024813.db2.gz NMAQMCVCWIACFY-UHFFFAOYSA-N 1 1 377.326 4.199 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNCc2cccc(Br)c2OC)c1 ZINC000187206939 823024818 /nfs/dbraw/zinc/02/48/18/823024818.db2.gz NMAQMCVCWIACFY-UHFFFAOYSA-N 1 1 377.326 4.199 20 0 GIADMO C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC000570327488 823026169 /nfs/dbraw/zinc/02/61/69/823026169.db2.gz DGRXZKHAZCZSQX-MRXNPFEDSA-N 1 1 395.837 4.462 20 0 GIADMO C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC000570327488 823026170 /nfs/dbraw/zinc/02/61/70/823026170.db2.gz DGRXZKHAZCZSQX-MRXNPFEDSA-N 1 1 395.837 4.462 20 0 GIADMO CSc1nc(N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(C(F)F)n1 ZINC000570344671 823027437 /nfs/dbraw/zinc/02/74/37/823027437.db2.gz ZTJLKXQSNKWGHB-LLVKDONJSA-N 1 1 375.448 4.225 20 0 GIADMO COc1ccccc1[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccccc1 ZINC000187225980 823027507 /nfs/dbraw/zinc/02/75/07/823027507.db2.gz RMOUYBGSGRHTPI-VWLOTQADSA-N 1 1 386.495 4.483 20 0 GIADMO COC[C@@H](NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)c1ccc(C)o1 ZINC000175736331 823029331 /nfs/dbraw/zinc/02/93/31/823029331.db2.gz LBWDADZUBUFFCM-LJQANCHMSA-N 1 1 396.491 4.465 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC1=Cc2cc(Br)ccc2OC1 ZINC000570365683 823029603 /nfs/dbraw/zinc/02/96/03/823029603.db2.gz PHGBOIISECXICV-KRWDZBQOSA-N 1 1 388.309 4.402 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000570369536 823030145 /nfs/dbraw/zinc/03/01/45/823030145.db2.gz RNKKHVNKUOKKNY-PXDATVDWSA-N 1 1 394.559 4.070 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000570369536 823030149 /nfs/dbraw/zinc/03/01/49/823030149.db2.gz RNKKHVNKUOKKNY-PXDATVDWSA-N 1 1 394.559 4.070 20 0 GIADMO O=C(Nc1ccc2cc[nH]c(=O)c2c1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000570391045 823032484 /nfs/dbraw/zinc/03/24/84/823032484.db2.gz RVRMJNTZXQCSNR-NTKDMRAZSA-N 1 1 387.483 4.181 20 0 GIADMO COCCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000570414035 823034571 /nfs/dbraw/zinc/03/45/71/823034571.db2.gz MNKDNLHJXYSJEY-RBBKRZOGSA-N 1 1 389.923 4.106 20 0 GIADMO COc1cc(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)ccc1OCc1ccncc1 ZINC000570419794 823035586 /nfs/dbraw/zinc/03/55/86/823035586.db2.gz WXQMQGZVNHIJAG-RTBURBONSA-N 1 1 383.536 4.022 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCc3ccc(F)c(F)c32)[C@H]1c1cccs1 ZINC000458417124 823038310 /nfs/dbraw/zinc/03/83/10/823038310.db2.gz FMSMVSRNIOEPED-KSSFIOAISA-N 1 1 391.487 4.182 20 0 GIADMO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C[C@@H]1n1ccnc1 ZINC000187298992 823039218 /nfs/dbraw/zinc/03/92/18/823039218.db2.gz JBQJMAQIDHFOJM-UTKZUKDTSA-N 1 1 380.467 4.079 20 0 GIADMO CN(Cc1c(F)cccc1F)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000458446020 823041367 /nfs/dbraw/zinc/04/13/67/823041367.db2.gz ZGOSRZHZPDDMCL-IFXJQAMLSA-N 1 1 393.503 4.251 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 ZINC000175799491 823043131 /nfs/dbraw/zinc/04/31/31/823043131.db2.gz GOWJFOHZUQQRMR-AWEZNQCLSA-N 1 1 377.444 4.092 20 0 GIADMO COc1ccc2ccccc2c1C[N@@H+](CC(=O)NCC(F)(F)F)C1CCCC1 ZINC000060564410 823542805 /nfs/dbraw/zinc/54/28/05/823542805.db2.gz DFGNKJLUXQFEBR-UHFFFAOYSA-N 1 1 394.437 4.272 20 0 GIADMO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCC2 ZINC000177895037 823542936 /nfs/dbraw/zinc/54/29/36/823542936.db2.gz GQLDOBLITLJOEV-HOCLYGCPSA-N 1 1 379.570 4.272 20 0 GIADMO Cc1ccc(CCC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000123820270 823543235 /nfs/dbraw/zinc/54/32/35/823543235.db2.gz LXYMYLDUZZQEQB-FOIQADDNSA-N 1 1 378.875 4.122 20 0 GIADMO CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)c12 ZINC000060573282 823543624 /nfs/dbraw/zinc/54/36/24/823543624.db2.gz SCAQXRDDSLQKSM-VQIMIIECSA-N 1 1 396.535 4.045 20 0 GIADMO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000123850345 823545653 /nfs/dbraw/zinc/54/56/53/823545653.db2.gz KRKMNVNIJYOZSN-UHFFFAOYSA-N 1 1 394.450 4.267 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000123855777 823546219 /nfs/dbraw/zinc/54/62/19/823546219.db2.gz AQVGQORGLNIBEN-UKRRQHHQSA-N 1 1 377.558 4.119 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460952036 823549570 /nfs/dbraw/zinc/54/95/70/823549570.db2.gz ACVWRAQKZIZPDM-JKSUJKDBSA-N 1 1 382.470 4.364 20 0 GIADMO COc1cc(Cl)c(F)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000411150458 823551991 /nfs/dbraw/zinc/55/19/91/823551991.db2.gz WKUBAHGEIILBIH-INIZCTEOSA-N 1 1 380.847 4.038 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc(F)cc1 ZINC000460973578 823553707 /nfs/dbraw/zinc/55/37/07/823553707.db2.gz NGVZYKKXNQJVII-JOCHJYFZSA-N 1 1 383.511 4.096 20 0 GIADMO Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2c1 ZINC000411169615 823554000 /nfs/dbraw/zinc/55/40/00/823554000.db2.gz RRIMEIYCGKPEKA-LJQANCHMSA-N 1 1 375.520 4.241 20 0 GIADMO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cs1 ZINC000411614740 823590921 /nfs/dbraw/zinc/59/09/21/823590921.db2.gz GAAUDESOEIDFRR-SNVBAGLBSA-N 1 1 384.295 4.157 20 0 GIADMO C[N@@H+]1CC[C@H](CNC(=O)c2scnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123951065 823554495 /nfs/dbraw/zinc/55/44/95/823554495.db2.gz RGPSMWUHDHSGIC-DYVFJYSZSA-N 1 1 393.915 4.236 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2scnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123951065 823554498 /nfs/dbraw/zinc/55/44/98/823554498.db2.gz RGPSMWUHDHSGIC-DYVFJYSZSA-N 1 1 393.915 4.236 20 0 GIADMO C[N@@H+]1CC[C@@H](CNC(=O)c2scnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123951305 823554722 /nfs/dbraw/zinc/55/47/22/823554722.db2.gz RGPSMWUHDHSGIC-GUYCJALGSA-N 1 1 393.915 4.236 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2scnc2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123951305 823554724 /nfs/dbraw/zinc/55/47/24/823554724.db2.gz RGPSMWUHDHSGIC-GUYCJALGSA-N 1 1 393.915 4.236 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@H+]1CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190270545 823558155 /nfs/dbraw/zinc/55/81/55/823558155.db2.gz JUSZMSXXSSEXIW-RTBURBONSA-N 1 1 379.566 4.350 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000411224880 823558684 /nfs/dbraw/zinc/55/86/84/823558684.db2.gz JNSUIYIBMCFNJB-FCHUYYIVSA-N 1 1 398.934 4.187 20 0 GIADMO COc1ccc(C(=O)C2CC[NH+](Cc3cn(-c4ccccc4)nc3C)CC2)cc1 ZINC000124010978 823559799 /nfs/dbraw/zinc/55/97/99/823559799.db2.gz HJKVFSYEAFOAKE-UHFFFAOYSA-N 1 1 389.499 4.284 20 0 GIADMO COc1cc(OC)c(C[NH2+]Cc2cc(Br)ccc2C)c(OC)c1 ZINC000190299984 823560375 /nfs/dbraw/zinc/56/03/75/823560375.db2.gz BOVBBTMYJIULKF-UHFFFAOYSA-N 1 1 380.282 4.073 20 0 GIADMO Clc1c(Br)cccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000411258515 823560685 /nfs/dbraw/zinc/56/06/85/823560685.db2.gz WNORACUWQUOWEH-ZDUSSCGKSA-N 1 1 395.732 4.020 20 0 GIADMO Clc1c(Br)cccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000411258515 823560686 /nfs/dbraw/zinc/56/06/86/823560686.db2.gz WNORACUWQUOWEH-ZDUSSCGKSA-N 1 1 395.732 4.020 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000124022946 823560837 /nfs/dbraw/zinc/56/08/37/823560837.db2.gz YDFSLCGFLZNHOV-JXFKEZNVSA-N 1 1 386.923 4.474 20 0 GIADMO CCOc1cc(CNCC(C)(C)[NH+]2CCCCC2)cc(Br)c1OC ZINC000060832685 823560949 /nfs/dbraw/zinc/56/09/49/823560949.db2.gz UFONDAAUYWKQKH-UHFFFAOYSA-N 1 1 399.373 4.211 20 0 GIADMO CCOc1c(Br)cc(CNCC(C)(C)[NH+]2CCCCC2)cc1OC ZINC000060832687 823561022 /nfs/dbraw/zinc/56/10/22/823561022.db2.gz DZMZXKRUMXJXDR-UHFFFAOYSA-N 1 1 399.373 4.211 20 0 GIADMO FC(F)(F)c1csc([C@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)n1 ZINC000190304718 823561059 /nfs/dbraw/zinc/56/10/59/823561059.db2.gz DADQSFFAAUSOEV-AWEZNQCLSA-N 1 1 390.471 4.275 20 0 GIADMO CC(C)OCCCNc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC000060846540 823561688 /nfs/dbraw/zinc/56/16/88/823561688.db2.gz IKSQOIWBZNDURZ-UHFFFAOYSA-N 1 1 388.581 4.393 20 0 GIADMO COc1ccc2nc(NC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)sc2c1 ZINC000060857388 823562690 /nfs/dbraw/zinc/56/26/90/823562690.db2.gz XOGUQZVSAGBMTE-UHFFFAOYSA-N 1 1 398.532 4.467 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1cccc(-n2cccn2)c1 ZINC000190324132 823562783 /nfs/dbraw/zinc/56/27/83/823562783.db2.gz WTNZEMOENIJORA-HNNXBMFYSA-N 1 1 379.414 4.187 20 0 GIADMO O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@@H+](Cc1ccc(CO)o1)C2 ZINC000124048284 823562953 /nfs/dbraw/zinc/56/29/53/823562953.db2.gz CKWVAQPENOVXNN-UHFFFAOYSA-N 1 1 395.434 4.113 20 0 GIADMO O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@H+](Cc1ccc(CO)o1)C2 ZINC000124048284 823562954 /nfs/dbraw/zinc/56/29/54/823562954.db2.gz CKWVAQPENOVXNN-UHFFFAOYSA-N 1 1 395.434 4.113 20 0 GIADMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000190326119 823563024 /nfs/dbraw/zinc/56/30/24/823563024.db2.gz HEYCUUPNMVSRDO-OAHLLOKOSA-N 1 1 393.441 4.495 20 0 GIADMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)C1 ZINC000411298217 823563008 /nfs/dbraw/zinc/56/30/08/823563008.db2.gz NHDZUEDYGPVYBX-KGLIPLIRSA-N 1 1 385.371 4.384 20 0 GIADMO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124057148 823563931 /nfs/dbraw/zinc/56/39/31/823563931.db2.gz UAUPFAOYDHGZNX-YVEFUNNKSA-N 1 1 395.471 4.321 20 0 GIADMO NC(CCCc1ccccc1)=[NH+]OCc1cccc(C(=O)NCc2ccco2)c1 ZINC000060875308 823564011 /nfs/dbraw/zinc/56/40/11/823564011.db2.gz HCIOEIMEXDJEMK-UHFFFAOYSA-N 1 1 391.471 4.021 20 0 GIADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000461040676 823564077 /nfs/dbraw/zinc/56/40/77/823564077.db2.gz DCTGCZISNUJAEF-AWEZNQCLSA-N 1 1 376.422 4.185 20 0 GIADMO C[C@@H](c1cccs1)N(C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000124058713 823564172 /nfs/dbraw/zinc/56/41/72/823564172.db2.gz SLISIDDILBHFIR-AWEZNQCLSA-N 1 1 393.503 4.393 20 0 GIADMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190375290 823567379 /nfs/dbraw/zinc/56/73/79/823567379.db2.gz SETURIGNBSPULF-ZDUSSCGKSA-N 1 1 391.393 4.014 20 0 GIADMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190375290 823567380 /nfs/dbraw/zinc/56/73/80/823567380.db2.gz SETURIGNBSPULF-ZDUSSCGKSA-N 1 1 391.393 4.014 20 0 GIADMO O=C1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3Cl)CC[C@@H]2N1C1CC1 ZINC000411397384 823569960 /nfs/dbraw/zinc/56/99/60/823569960.db2.gz LWTVUZJZPFZYLY-WBMJQRKESA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(Br)c3Cl)CC[C@@H]2N1C1CC1 ZINC000411397384 823569962 /nfs/dbraw/zinc/56/99/62/823569962.db2.gz LWTVUZJZPFZYLY-WBMJQRKESA-N 1 1 397.744 4.078 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCc2cncs2)CC1 ZINC000411400601 823570438 /nfs/dbraw/zinc/57/04/38/823570438.db2.gz VENWWTALFUTVOY-UHFFFAOYSA-N 1 1 383.483 4.301 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(OC)cc2OC(C)C)CC1 ZINC000190416295 823570924 /nfs/dbraw/zinc/57/09/24/823570924.db2.gz WQBSGWZSVCAKJU-UHFFFAOYSA-N 1 1 376.541 4.067 20 0 GIADMO CC[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccncc1 ZINC000411422109 823572383 /nfs/dbraw/zinc/57/23/83/823572383.db2.gz JDHYIBGMRIFZRW-QFIPXVFZSA-N 1 1 379.529 4.261 20 0 GIADMO C[C@@H](c1ccccn1)[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411421517 823572387 /nfs/dbraw/zinc/57/23/87/823572387.db2.gz MUUBYMRTWHSMRX-HTAPYJJXSA-N 1 1 379.529 4.432 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000061013260 823572950 /nfs/dbraw/zinc/57/29/50/823572950.db2.gz LGDCODHSMHCZPF-UHFFFAOYSA-N 1 1 387.842 4.034 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411427856 823573019 /nfs/dbraw/zinc/57/30/19/823573019.db2.gz RGSXVUNIIBGMKG-HNNXBMFYSA-N 1 1 381.307 4.499 20 0 GIADMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)NCC1(c2ccccc2)CC1 ZINC000061020375 823573520 /nfs/dbraw/zinc/57/35/20/823573520.db2.gz PZGUXDZIUJDKIQ-XMMPIXPASA-N 1 1 388.486 4.353 20 0 GIADMO C[N@H+]1CCCC12CCN(Cc1nc(=O)c3c(-c4ccccc4)csc3[nH]1)CC2 ZINC000411440047 823574386 /nfs/dbraw/zinc/57/43/86/823574386.db2.gz GSDOAHURZLAMFM-UHFFFAOYSA-N 1 1 394.544 4.124 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](CC(C)(C)C)c1ccccc1)[nH]c2=O ZINC000411445609 823575026 /nfs/dbraw/zinc/57/50/26/823575026.db2.gz HDWMHBNJYMVBMA-IBGZPJMESA-N 1 1 393.487 4.389 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](CC(C)(C)C)c1ccccc1)[nH]c2=O ZINC000411445618 823575055 /nfs/dbraw/zinc/57/50/55/823575055.db2.gz HDWMHBNJYMVBMA-LJQANCHMSA-N 1 1 393.487 4.389 20 0 GIADMO CC[C@@]1(C)Oc2ccc(NC(=O)NC3CCN(c4cccc(C)[nH+]4)CC3)cc2O1 ZINC000190445606 823575289 /nfs/dbraw/zinc/57/52/89/823575289.db2.gz XPLSSFIPCYLCEU-QFIPXVFZSA-N 1 1 396.491 4.078 20 0 GIADMO COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(Br)cc2OC)c1 ZINC000190445929 823575375 /nfs/dbraw/zinc/57/53/75/823575375.db2.gz WUMXDHSRIRQQPY-GFCCVEGCSA-N 1 1 380.282 4.326 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OC(F)F)c2)c1C ZINC000411449374 823575498 /nfs/dbraw/zinc/57/54/98/823575498.db2.gz SBNPPQDMGUFDPU-AAEUAGOBSA-N 1 1 378.419 4.358 20 0 GIADMO CCc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)nc1 ZINC000411448231 823575643 /nfs/dbraw/zinc/57/56/43/823575643.db2.gz QTKLGERGXICJND-LJQANCHMSA-N 1 1 391.437 4.116 20 0 GIADMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000190455390 823577004 /nfs/dbraw/zinc/57/70/04/823577004.db2.gz OCEAKHDIGBUITL-OAHLLOKOSA-N 1 1 381.476 4.034 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000461100862 823577305 /nfs/dbraw/zinc/57/73/05/823577305.db2.gz BOWWFAKEPMKCIK-CTNGQTDRSA-N 1 1 395.572 4.174 20 0 GIADMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)N[C@H](C)c1cccs1 ZINC000190461254 823577796 /nfs/dbraw/zinc/57/77/96/823577796.db2.gz JEIDRHQLYWLLOR-NWDGAFQWSA-N 1 1 397.338 4.047 20 0 GIADMO CC(C)(C)n1nccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000190462013 823577758 /nfs/dbraw/zinc/57/77/58/823577758.db2.gz FSFDVOYRJUHRGE-VQTJNVASSA-N 1 1 395.551 4.157 20 0 GIADMO COc1cccc(C2([NH2+]CC(=O)Nc3nc(-c4cccs4)cs3)CC2)c1 ZINC000411471432 823578672 /nfs/dbraw/zinc/57/86/72/823578672.db2.gz KUSWOEYYIWTYFI-UHFFFAOYSA-N 1 1 385.514 4.098 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C)[nH]c2=O ZINC000411479779 823579632 /nfs/dbraw/zinc/57/96/32/823579632.db2.gz UTRFRNFQMIDMPL-HXUWFJFHSA-N 1 1 393.487 4.307 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(c3ccncc3)CC2)[C@@H]1c1cccs1 ZINC000190484252 823579987 /nfs/dbraw/zinc/57/99/87/823579987.db2.gz MKHLBVLYKJIKER-TZIWHRDSSA-N 1 1 398.576 4.115 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC)cc2OCc2ccccc2)C1 ZINC000190487413 823580335 /nfs/dbraw/zinc/58/03/35/823580335.db2.gz IMLZKBZTMLYWCT-IBGZPJMESA-N 1 1 397.519 4.080 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCSc2ccccc21)c1ccccc1Cl ZINC000061141054 823580539 /nfs/dbraw/zinc/58/05/39/823580539.db2.gz VQTOMSLNMTURTD-ROUUACIJSA-N 1 1 389.952 4.479 20 0 GIADMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000190492849 823580757 /nfs/dbraw/zinc/58/07/57/823580757.db2.gz RUCBQHITEJKGTD-HNNXBMFYSA-N 1 1 381.476 4.034 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3c(O)cccc32)[C@@H]1c1cccs1 ZINC000190494132 823580989 /nfs/dbraw/zinc/58/09/89/823580989.db2.gz UDWZNBXFZJKBGZ-FQELHTAISA-N 1 1 384.545 4.073 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1C1CCOCC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411494309 823581097 /nfs/dbraw/zinc/58/10/97/823581097.db2.gz JFYBDKLDIMXOBF-NZQKXSOJSA-N 1 1 398.572 4.235 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C(C)(C)C ZINC000190506587 823582043 /nfs/dbraw/zinc/58/20/43/823582043.db2.gz MGDIZGVRJVGETE-IBGZPJMESA-N 1 1 383.540 4.014 20 0 GIADMO C[C@H](NCCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514425 823583014 /nfs/dbraw/zinc/58/30/14/823583014.db2.gz GBQQNKZWTJPOLB-DOTOQJQBSA-N 1 1 388.943 4.175 20 0 GIADMO C[C@H](NCCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514425 823583018 /nfs/dbraw/zinc/58/30/18/823583018.db2.gz GBQQNKZWTJPOLB-DOTOQJQBSA-N 1 1 388.943 4.175 20 0 GIADMO C[C@H](c1nnc(SCC[C@@H]2CCC[N@H+]2C)n1-c1ccc(Cl)cc1)N(C)C ZINC000124294267 823584771 /nfs/dbraw/zinc/58/47/71/823584771.db2.gz ICQKYULUWMVAOJ-ZBFHGGJFSA-N 1 1 393.988 4.120 20 0 GIADMO CCc1nc([C@H](C)[NH2+]CCC(=O)Nc2ccc(Br)cc2)cs1 ZINC000411531766 823585305 /nfs/dbraw/zinc/58/53/05/823585305.db2.gz LIDVWFZNJMZONA-NSHDSACASA-N 1 1 382.327 4.147 20 0 GIADMO CC(C)N(C)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000411538242 823586212 /nfs/dbraw/zinc/58/62/12/823586212.db2.gz KPYIZTNNEWIQFF-LBPRGKRZSA-N 1 1 396.354 4.090 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3cccc(F)c3)n2)ccc1F ZINC000411537941 823586246 /nfs/dbraw/zinc/58/62/46/823586246.db2.gz TURPXELEUOMXBK-CYBMUJFWSA-N 1 1 386.402 4.003 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000411538876 823586322 /nfs/dbraw/zinc/58/63/22/823586322.db2.gz XLVJHNQCMOMWJM-ZDUSSCGKSA-N 1 1 390.530 4.274 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000190582087 823588223 /nfs/dbraw/zinc/58/82/23/823588223.db2.gz FBKKVWXBLRXXFZ-UHFFFAOYSA-N 1 1 396.457 4.220 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000190583954 823588417 /nfs/dbraw/zinc/58/84/17/823588417.db2.gz RRBOEKHXCKSQCH-WMLDXEAASA-N 1 1 385.474 4.107 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)C1 ZINC000411585464 823589400 /nfs/dbraw/zinc/58/94/00/823589400.db2.gz HGKXJMOSYBRHQO-FHZYATBESA-N 1 1 378.516 4.228 20 0 GIADMO C[C@H](CO)[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCC1 ZINC000411606117 823590266 /nfs/dbraw/zinc/59/02/66/823590266.db2.gz RRBYNJONSOTHEV-CQSZACIVSA-N 1 1 383.517 4.189 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCc2ccccc2F)C1 ZINC000061311704 823591204 /nfs/dbraw/zinc/59/12/04/823591204.db2.gz RMIBQSSPRTZCFG-GOSISDBHSA-N 1 1 383.511 4.100 20 0 GIADMO CC[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1c(C)noc1C ZINC000124391937 823592890 /nfs/dbraw/zinc/59/28/90/823592890.db2.gz GUQVPBCQQLQXSA-QGZVFWFLSA-N 1 1 388.537 4.113 20 0 GIADMO CCOC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000061350661 823592908 /nfs/dbraw/zinc/59/29/08/823592908.db2.gz MNLGWSZNOTWCCP-UHFFFAOYSA-N 1 1 383.492 4.025 20 0 GIADMO CCOC(=O)/C=C/c1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000061353833 823593241 /nfs/dbraw/zinc/59/32/41/823593241.db2.gz BGKJBVUFMLWKSW-BJRSVTDJSA-N 1 1 387.524 4.039 20 0 GIADMO CN(C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC(C)(C)C1 ZINC000411663532 823595702 /nfs/dbraw/zinc/59/57/02/823595702.db2.gz CXMIAEXEFYUAHJ-UHFFFAOYSA-N 1 1 385.552 4.037 20 0 GIADMO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1ccccc1 ZINC000124432634 823596292 /nfs/dbraw/zinc/59/62/92/823596292.db2.gz CJZVODDVJSYFCT-BEFAXECRSA-N 1 1 394.437 4.478 20 0 GIADMO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)c1ccccc1 ZINC000124432851 823596325 /nfs/dbraw/zinc/59/63/25/823596325.db2.gz CJZVODDVJSYFCT-KXBFYZLASA-N 1 1 394.437 4.478 20 0 GIADMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(-c2ncco2)cc1F ZINC000411677437 823596585 /nfs/dbraw/zinc/59/65/85/823596585.db2.gz RAXILCIQVHUPFP-GAJHUEQPSA-N 1 1 396.462 4.023 20 0 GIADMO C[C@H]([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000411683962 823596805 /nfs/dbraw/zinc/59/68/05/823596805.db2.gz HRUOKSSJUAIYMF-SWLSCSKDSA-N 1 1 397.466 4.396 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)C1 ZINC000124439668 823596958 /nfs/dbraw/zinc/59/69/58/823596958.db2.gz HIQREFPYYUXHIU-QGZVFWFLSA-N 1 1 398.551 4.132 20 0 GIADMO CCc1n[nH]c(C2CC[NH+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2)n1 ZINC000190688262 823598420 /nfs/dbraw/zinc/59/84/20/823598420.db2.gz VUEMZFBFPTXSLU-UHFFFAOYSA-N 1 1 394.519 4.285 20 0 GIADMO CCc1nc(C2CC[NH+](Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2)n[nH]1 ZINC000190688262 823598422 /nfs/dbraw/zinc/59/84/22/823598422.db2.gz VUEMZFBFPTXSLU-UHFFFAOYSA-N 1 1 394.519 4.285 20 0 GIADMO OCC[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccccc1 ZINC000124459487 823598444 /nfs/dbraw/zinc/59/84/44/823598444.db2.gz FZLMPRUMXBIJBV-QGZVFWFLSA-N 1 1 386.293 4.053 20 0 GIADMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OCCC(C)C ZINC000124471719 823599416 /nfs/dbraw/zinc/59/94/16/823599416.db2.gz GUIKRWOSBUTNGI-NVXWUHKLSA-N 1 1 396.959 4.328 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@H](O)COCc1ccco1 ZINC000124476151 823599923 /nfs/dbraw/zinc/59/99/23/823599923.db2.gz CGKMFMYIUPISNY-WMZOPIPTSA-N 1 1 386.517 4.282 20 0 GIADMO Fc1cc(-c2ncco2)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000411724606 823600251 /nfs/dbraw/zinc/60/02/51/823600251.db2.gz YTGIQLWXQKBRAN-SJBKTWHCSA-N 1 1 378.447 4.485 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H](c2ccncc2)C1)Nc1ccccc1Br ZINC000411731786 823600775 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392.525 4.096 20 0 GIADMO O[C@@H](C[NH+]1CCC(OC2CCCCC2)CC1)c1cccc(Br)c1 ZINC000125568534 823686147 /nfs/dbraw/zinc/68/61/47/823686147.db2.gz NOKNYGWWBNBNGZ-IBGZPJMESA-N 1 1 382.342 4.296 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCCCc3ccc(C)cc3)CC2)cc1 ZINC000063643578 823686235 /nfs/dbraw/zinc/68/62/35/823686235.db2.gz AVAVSDWGBRRXCN-UHFFFAOYSA-N 1 1 394.559 4.451 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000461722610 823687485 /nfs/dbraw/zinc/68/74/85/823687485.db2.gz FCZONYIOLNEWBG-LBPRGKRZSA-N 1 1 391.846 4.156 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000191470999 823688616 /nfs/dbraw/zinc/68/86/16/823688616.db2.gz BMAYXYBJBXADCV-UHFFFAOYSA-N 1 1 384.549 4.490 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000191473150 823688998 /nfs/dbraw/zinc/68/89/98/823688998.db2.gz OBEBPEVYRFSXIT-MRXNPFEDSA-N 1 1 376.932 4.147 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000063689084 823689462 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ZINC000163389178 823705848 /nfs/dbraw/zinc/70/58/48/823705848.db2.gz AGRCQKADKKFEGR-HKUYNNGSSA-N 1 1 385.439 4.174 20 0 GIADMO CN(C)c1ncc(C[N@H+](C)Cc2cccc(SCc3ccccc3)c2)cn1 ZINC000574354295 823707331 /nfs/dbraw/zinc/70/73/31/823707331.db2.gz RJFWVXDOHNPKHR-UHFFFAOYSA-N 1 1 378.545 4.467 20 0 GIADMO CN(C)c1ncc(C[N@@H+](C)Cc2cccc(SCc3ccccc3)c2)cn1 ZINC000574354295 823707334 /nfs/dbraw/zinc/70/73/34/823707334.db2.gz RJFWVXDOHNPKHR-UHFFFAOYSA-N 1 1 378.545 4.467 20 0 GIADMO c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000574365535 823709946 /nfs/dbraw/zinc/70/99/46/823709946.db2.gz CNUBXHBTGFTOKI-LJQANCHMSA-N 1 1 384.487 4.037 20 0 GIADMO CC(C)CN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCc2cccnc21 ZINC000163495687 823715496 /nfs/dbraw/zinc/71/54/96/823715496.db2.gz VCBNYJOTJDTDGX-PZJWPPBQSA-N 1 1 384.568 4.144 20 0 GIADMO CS[C@H](C)CC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000125806566 823715923 /nfs/dbraw/zinc/71/59/23/823715923.db2.gz UQWFMUBUUZIXSD-NVXWUHKLSA-N 1 1 388.499 4.041 20 0 GIADMO CCSc1ccccc1[C@H](C)[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000163512615 823717315 /nfs/dbraw/zinc/71/73/15/823717315.db2.gz HNCLADKANRQOMQ-KRWDZBQOSA-N 1 1 391.625 4.076 20 0 GIADMO CC(C)(C)OCCCC[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000574396823 823718970 /nfs/dbraw/zinc/71/89/70/823718970.db2.gz JFCFTXSOQMWHLX-IBGZPJMESA-N 1 1 378.532 4.139 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000125826850 823721369 /nfs/dbraw/zinc/72/13/69/823721369.db2.gz HCOPMAKTSJTHRU-OAHLLOKOSA-N 1 1 386.542 4.206 20 0 GIADMO Cc1ocnc1C(=O)OC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125826636 823721419 /nfs/dbraw/zinc/72/14/19/823721419.db2.gz UGFNSHXTUSQNGV-WMLDXEAASA-N 1 1 382.382 4.242 20 0 GIADMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000574424952 823726361 /nfs/dbraw/zinc/72/63/61/823726361.db2.gz NWRYUNHULVLAKU-AWEZNQCLSA-N 1 1 391.309 4.187 20 0 GIADMO Cc1nc2ccccc2n1CCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000574425448 823726375 /nfs/dbraw/zinc/72/63/75/823726375.db2.gz RSFYLFWWIDIMTI-UHFFFAOYSA-N 1 1 397.548 4.206 20 0 GIADMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000163627010 823729209 /nfs/dbraw/zinc/72/92/09/823729209.db2.gz YJHOGCFGIIPZGA-UHFFFAOYSA-N 1 1 384.282 4.168 20 0 GIADMO CC[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)CC(F)(F)F ZINC000413212749 823729331 /nfs/dbraw/zinc/72/93/31/823729331.db2.gz ZELMXSGHANFGKW-LSDHHAIUSA-N 1 1 391.503 4.238 20 0 GIADMO COc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1Br ZINC000191680027 823731192 /nfs/dbraw/zinc/73/11/92/823731192.db2.gz DLEJVPLKGDAWIC-UHFFFAOYSA-N 1 1 395.272 4.035 20 0 GIADMO O=C(CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1c(F)cccc1F ZINC000574452410 823734244 /nfs/dbraw/zinc/73/42/44/823734244.db2.gz GFZNWTHARRIQAT-MRXNPFEDSA-N 1 1 376.472 4.301 20 0 GIADMO C/C(=C/c1ccccc1OC(F)F)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000574456160 823734938 /nfs/dbraw/zinc/73/49/38/823734938.db2.gz LIEAWWNHVKYNBG-IKESIWSLSA-N 1 1 376.451 4.360 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000163685965 823736563 /nfs/dbraw/zinc/73/65/63/823736563.db2.gz OIODCTTXQNMAFY-INIZCTEOSA-N 1 1 378.607 4.263 20 0 GIADMO COc1ccc(-c2cnc(CCC(=O)N(C)CC[N@@H+](C)C3CCCCC3)o2)cc1 ZINC000064035654 823738385 /nfs/dbraw/zinc/73/83/85/823738385.db2.gz FYXXUFWFUTVMFQ-UHFFFAOYSA-N 1 1 399.535 4.006 20 0 GIADMO O=C(NCc1ccc(COc2ccccc2)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461890586 823740190 /nfs/dbraw/zinc/74/01/90/823740190.db2.gz NACLIQFTVYABRS-DEOSSOPVSA-N 1 1 386.495 4.156 20 0 GIADMO O=C(NCc1ccc(COc2ccccc2)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000461890586 823740195 /nfs/dbraw/zinc/74/01/95/823740195.db2.gz NACLIQFTVYABRS-DEOSSOPVSA-N 1 1 386.495 4.156 20 0 GIADMO C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000413268491 823741480 /nfs/dbraw/zinc/74/14/80/823741480.db2.gz QXZRAYCACAMADV-MIGBEJBISA-N 1 1 383.458 4.070 20 0 GIADMO Cc1cccc(CN(Cc2ccco2)C(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000461896673 823743266 /nfs/dbraw/zinc/74/32/66/823743266.db2.gz XVWNFPRIDHHLJI-UHFFFAOYSA-N 1 1 379.460 4.014 20 0 GIADMO CCc1nn(C)c(CC)c1C[N@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000574486345 823744769 /nfs/dbraw/zinc/74/47/69/823744769.db2.gz AXWXRQAZKIXUAU-UHFFFAOYSA-N 1 1 385.943 4.097 20 0 GIADMO CCc1nn(C)c(CC)c1C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000574486345 823744779 /nfs/dbraw/zinc/74/47/79/823744779.db2.gz AXWXRQAZKIXUAU-UHFFFAOYSA-N 1 1 385.943 4.097 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000461902228 823746091 /nfs/dbraw/zinc/74/60/91/823746091.db2.gz JYFUDNDARDFZMT-UHFFFAOYSA-N 1 1 393.409 4.094 20 0 GIADMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000574497075 823749005 /nfs/dbraw/zinc/74/90/05/823749005.db2.gz PZEVISHOFNQEGA-FRFSOERESA-N 1 1 376.451 4.396 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cl)c1Br)c1ccco1 ZINC000191728619 823749363 /nfs/dbraw/zinc/74/93/63/823749363.db2.gz HNEXSHAQBMNNHP-GFCCVEGCSA-N 1 1 386.677 4.120 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)sc1Cl ZINC000163794573 823749314 /nfs/dbraw/zinc/74/93/14/823749314.db2.gz KXPWAYARHJCXOI-LLVKDONJSA-N 1 1 387.332 4.373 20 0 GIADMO CC(C)CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCCc2cccnc21 ZINC000163794878 823749989 /nfs/dbraw/zinc/74/99/89/823749989.db2.gz TXDIJAGAPUEFBI-VTHDOGFWSA-N 1 1 384.568 4.142 20 0 GIADMO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125957552 823752755 /nfs/dbraw/zinc/75/27/55/823752755.db2.gz IAAAEWRVNIINAC-GOTSBHOMSA-N 1 1 389.474 4.433 20 0 GIADMO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000191744829 823754367 /nfs/dbraw/zinc/75/43/67/823754367.db2.gz ZBYOQRXCTRZCAV-WBVHZDCISA-N 1 1 397.947 4.092 20 0 GIADMO COc1ccccc1-c1ccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000191749585 823756228 /nfs/dbraw/zinc/75/62/28/823756228.db2.gz GFZWMQMYTUEQFT-NRFANRHFSA-N 1 1 379.529 4.386 20 0 GIADMO COc1ccccc1-c1ccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000191749585 823756234 /nfs/dbraw/zinc/75/62/34/823756234.db2.gz GFZWMQMYTUEQFT-NRFANRHFSA-N 1 1 379.529 4.386 20 0 GIADMO COc1cc(F)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000163894467 823758013 /nfs/dbraw/zinc/75/80/13/823758013.db2.gz SAYHWICXFAJOPM-OAHLLOKOSA-N 1 1 386.467 4.327 20 0 GIADMO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC(F)(F)F ZINC000413354028 823758025 /nfs/dbraw/zinc/75/80/25/823758025.db2.gz QAHDFPXGZNIGKB-RYRKJORJSA-N 1 1 385.474 4.175 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)c3[nH]c4ccc(C)cc4c3C)CC2)oc1C ZINC000125982664 823758906 /nfs/dbraw/zinc/75/89/06/823758906.db2.gz GUZPIBHHEBXCRZ-UHFFFAOYSA-N 1 1 394.519 4.032 20 0 GIADMO C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1c(Cl)ccc(F)c1Cl ZINC000461927046 823759344 /nfs/dbraw/zinc/75/93/44/823759344.db2.gz JFNQWWMIOAWYDJ-JTQLQIEISA-N 1 1 386.254 4.207 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c(C)c1OC ZINC000574539797 823759351 /nfs/dbraw/zinc/75/93/51/823759351.db2.gz KMHRXGAFVMPESA-BTYIYWSLSA-N 1 1 383.467 4.325 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000163911702 823760010 /nfs/dbraw/zinc/76/00/10/823760010.db2.gz NFOJQYLXAIKHPH-HNNXBMFYSA-N 1 1 376.342 4.161 20 0 GIADMO CCc1ccc([C@@H](C)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000163976713 823768008 /nfs/dbraw/zinc/76/80/08/823768008.db2.gz FYKIISWDHYCUIE-GOSISDBHSA-N 1 1 386.536 4.182 20 0 GIADMO CCc1ccc([C@@H](C)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000163976713 823768011 /nfs/dbraw/zinc/76/80/11/823768011.db2.gz FYKIISWDHYCUIE-GOSISDBHSA-N 1 1 386.536 4.182 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000191787031 823768512 /nfs/dbraw/zinc/76/85/12/823768512.db2.gz XFFWZONHYPUPPJ-UHFFFAOYSA-N 1 1 396.476 4.010 20 0 GIADMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ncc(Cl)cc1Cl)C1CCOCC1 ZINC000574570494 823769533 /nfs/dbraw/zinc/76/95/33/823769533.db2.gz GMKKYUJFVBVDHB-UHFFFAOYSA-N 1 1 389.323 4.101 20 0 GIADMO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000413419762 823773610 /nfs/dbraw/zinc/77/36/10/823773610.db2.gz NXOYEWGJEUPVKK-QLFBSQMISA-N 1 1 379.932 4.020 20 0 GIADMO CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000413419762 823773616 /nfs/dbraw/zinc/77/36/16/823773616.db2.gz NXOYEWGJEUPVKK-QLFBSQMISA-N 1 1 379.932 4.020 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1cccc(C2CC2)c1 ZINC000413424353 823774682 /nfs/dbraw/zinc/77/46/82/823774682.db2.gz WQXBEJVJTWBBSE-QHCPKHFHSA-N 1 1 377.532 4.015 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCOc2c(C)cccc2C)c1 ZINC000064227055 823775202 /nfs/dbraw/zinc/77/52/02/823775202.db2.gz NNYMZEKLQNLPGK-UHFFFAOYSA-N 1 1 383.536 4.023 20 0 GIADMO CCSc1ccc([C@@H](C)NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000126053653 823775951 /nfs/dbraw/zinc/77/59/51/823775951.db2.gz RHKMIVLYCKPZMP-MRXNPFEDSA-N 1 1 386.565 4.257 20 0 GIADMO OC[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000574606155 823779023 /nfs/dbraw/zinc/77/90/23/823779023.db2.gz FWQLKJQSRYWKJK-RTBURBONSA-N 1 1 379.422 4.258 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)CCC3)cc1 ZINC000126077687 823781404 /nfs/dbraw/zinc/78/14/04/823781404.db2.gz ZMNRODSQXTYJIN-IEBWSBKVSA-N 1 1 393.512 4.012 20 0 GIADMO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000191820647 823782176 /nfs/dbraw/zinc/78/21/76/823782176.db2.gz YBWXDASBPRRYDQ-LBPRGKRZSA-N 1 1 384.277 4.056 20 0 GIADMO CSCC[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)c1nnc2ccccn21 ZINC000164246097 823789213 /nfs/dbraw/zinc/78/92/13/823789213.db2.gz DZTDTBDZGZBPIR-BBRMVZONSA-N 1 1 392.475 4.476 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCc2c1cccc2F ZINC000462001984 823790830 /nfs/dbraw/zinc/79/08/30/823790830.db2.gz BZMCBRGVCSNCHA-UHFFFAOYSA-N 1 1 393.462 4.323 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCc2c1cccc2F ZINC000462001984 823790840 /nfs/dbraw/zinc/79/08/40/823790840.db2.gz BZMCBRGVCSNCHA-UHFFFAOYSA-N 1 1 393.462 4.323 20 0 GIADMO C[C@@H]1SCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000574654241 823791531 /nfs/dbraw/zinc/79/15/31/823791531.db2.gz NVKYSLLVSHWVEA-JQVVWYNYSA-N 1 1 380.557 4.327 20 0 GIADMO c1ccc(C[N@H+]2CCCO[C@H](CN[C@@H](c3ccccc3)c3ccccn3)C2)cc1 ZINC000191838145 823791993 /nfs/dbraw/zinc/79/19/93/823791993.db2.gz ZRAODYANSUVECW-NOZRDPDXSA-N 1 1 387.527 4.052 20 0 GIADMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H]1CCN(c2ccccc2)C1 ZINC000462013464 823794849 /nfs/dbraw/zinc/79/48/49/823794849.db2.gz FWLMDOIBCFBQMI-DEOSSOPVSA-N 1 1 399.538 4.084 20 0 GIADMO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000462019769 823796808 /nfs/dbraw/zinc/79/68/08/823796808.db2.gz ZWZPHXUAKYDGGH-GBXCKJPGSA-N 1 1 392.543 4.105 20 0 GIADMO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000462019769 823796816 /nfs/dbraw/zinc/79/68/16/823796816.db2.gz ZWZPHXUAKYDGGH-GBXCKJPGSA-N 1 1 392.543 4.105 20 0 GIADMO C[C@@H]1[C@H](CO)CCCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000413582897 823800559 /nfs/dbraw/zinc/80/05/59/823800559.db2.gz ATHQFZAUNHNJRK-WBVHZDCISA-N 1 1 396.560 4.017 20 0 GIADMO Cc1c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cnn1-c1cccc(Cl)c1 ZINC000064381659 823805519 /nfs/dbraw/zinc/80/55/19/823805519.db2.gz YRIOIUKJJWPNNH-UHFFFAOYSA-N 1 1 388.943 4.027 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462040237 823807624 /nfs/dbraw/zinc/80/76/24/823807624.db2.gz MBFBLECUHFLPOO-XHBKTUGNSA-N 1 1 384.351 4.426 20 0 GIADMO COc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c(OC)c1OC ZINC000164533856 823807847 /nfs/dbraw/zinc/80/78/47/823807847.db2.gz CFVZACMXGNTBIX-MRXNPFEDSA-N 1 1 377.868 4.369 20 0 GIADMO Cc1cc(-c2nc3ccc(F)cc3n2C(C)C)ccc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000462046705 823811298 /nfs/dbraw/zinc/81/12/98/823811298.db2.gz VTNCQWRWBYIXRZ-SFHVURJKSA-N 1 1 398.507 4.333 20 0 GIADMO COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)c1 ZINC000191928307 823813799 /nfs/dbraw/zinc/81/37/99/823813799.db2.gz CNYMERYYCWNMSX-UYAOXDASSA-N 1 1 394.515 4.418 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(Cn3cc(C(F)(F)F)cc(Cl)c3=S)CC[C@@H]21 ZINC000164654491 823814588 /nfs/dbraw/zinc/81/45/88/823814588.db2.gz DJWPHUDQKGXNPM-RISCZKNCSA-N 1 1 379.879 4.263 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(OCC)ccc2OCC)CC1 ZINC000126221242 823815129 /nfs/dbraw/zinc/81/51/29/823815129.db2.gz JUTMESPMDSTVRD-UHFFFAOYSA-N 1 1 391.556 4.460 20 0 GIADMO Cc1noc(C)c1CCN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000164777276 823819147 /nfs/dbraw/zinc/81/91/47/823819147.db2.gz AEKSMGXKLRNLOC-UHFFFAOYSA-N 1 1 381.442 4.061 20 0 GIADMO Cc1noc(C)c1CC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000164777276 823819154 /nfs/dbraw/zinc/81/91/54/823819154.db2.gz AEKSMGXKLRNLOC-UHFFFAOYSA-N 1 1 381.442 4.061 20 0 GIADMO Cc1noc(C)c1CC[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000164777276 823819161 /nfs/dbraw/zinc/81/91/61/823819161.db2.gz AEKSMGXKLRNLOC-UHFFFAOYSA-N 1 1 381.442 4.061 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cnccc2C(C)(C)C)C1 ZINC000413693632 823819277 /nfs/dbraw/zinc/81/92/77/823819277.db2.gz LQMHVCBZOKFKSL-RBUKOAKNSA-N 1 1 386.584 4.175 20 0 GIADMO C[C@@H]1CCCN(c2cc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)ccn2)C1 ZINC000462075296 823820622 /nfs/dbraw/zinc/82/06/22/823820622.db2.gz FRSKXPAZQZHKCQ-NJYVYQBISA-N 1 1 398.595 4.045 20 0 GIADMO CC(C)c1nn(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(=S)n1C ZINC000164817411 823821237 /nfs/dbraw/zinc/82/12/37/823821237.db2.gz SZPJUFLRCFAQEB-UXHICEINSA-N 1 1 399.608 4.018 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)co2)cc1 ZINC000164900662 823824806 /nfs/dbraw/zinc/82/48/06/823824806.db2.gz GIEDCJAOTJSRAH-AWEZNQCLSA-N 1 1 376.382 4.463 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cs1)c1ccccc1 ZINC000191971362 823827724 /nfs/dbraw/zinc/82/77/24/823827724.db2.gz OKPSVDBSTQYQIY-RTWAWAEBSA-N 1 1 393.512 4.448 20 0 GIADMO CC(C)Oc1cccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000064481533 823827883 /nfs/dbraw/zinc/82/78/83/823827883.db2.gz DHHUPWHRLNJZKS-UHFFFAOYSA-N 1 1 386.923 4.475 20 0 GIADMO COCC[NH+]1CCC(NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC000462107858 823829556 /nfs/dbraw/zinc/82/95/56/823829556.db2.gz BGGNWVJHLGLJDH-UHFFFAOYSA-N 1 1 388.474 4.083 20 0 GIADMO CCN(C[C@H](C)OC)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000462111122 823830614 /nfs/dbraw/zinc/83/06/14/823830614.db2.gz KLJWARKVCIICAC-HNNXBMFYSA-N 1 1 384.549 4.281 20 0 GIADMO C[C@@H]1CCn2ncc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)c2C1 ZINC000574811925 823833260 /nfs/dbraw/zinc/83/32/60/823833260.db2.gz LOJZZUOBDBQMRT-QGZVFWFLSA-N 1 1 380.536 4.482 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1 ZINC000165088507 823833878 /nfs/dbraw/zinc/83/38/78/823833878.db2.gz DWTMKEUQPXXAJR-KRWDZBQOSA-N 1 1 396.560 4.118 20 0 GIADMO C[C@@H](NC(=O)NOCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000165111417 823834754 /nfs/dbraw/zinc/83/47/54/823834754.db2.gz PHXGDBHYVPRCAJ-ZBFHGGJFSA-N 1 1 399.457 4.089 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(-c2ccccc2F)on1 ZINC000064521724 823835319 /nfs/dbraw/zinc/83/53/19/823835319.db2.gz NIRUCHQIFLCSIA-HNNXBMFYSA-N 1 1 399.491 4.184 20 0 GIADMO CCN(C(=O)NC1CCC(COC)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000413766513 823837477 /nfs/dbraw/zinc/83/74/77/823837477.db2.gz FLHKPJRVFQHFGF-ATHYDTBRSA-N 1 1 387.568 4.059 20 0 GIADMO CC(C)OCc1cccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000064544106 823840186 /nfs/dbraw/zinc/84/01/86/823840186.db2.gz IMXZZKDBYBPQHV-UHFFFAOYSA-N 1 1 381.520 4.182 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(COC(C)C)c1)[NH+](C)C ZINC000064544118 823840245 /nfs/dbraw/zinc/84/02/45/823840245.db2.gz BKSMUAVBBYYJDG-HXUWFJFHSA-N 1 1 385.508 4.045 20 0 GIADMO O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000413800354 823843029 /nfs/dbraw/zinc/84/30/29/823843029.db2.gz BNUVUIIQKBIOHM-JTAQYXEDSA-N 1 1 378.447 4.112 20 0 GIADMO C[C@@H](c1cccnc1)N1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000126339042 823843305 /nfs/dbraw/zinc/84/33/05/823843305.db2.gz YMIUQRSSJWYJRR-INIZCTEOSA-N 1 1 381.911 4.004 20 0 GIADMO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000126339042 823843307 /nfs/dbraw/zinc/84/33/07/823843307.db2.gz YMIUQRSSJWYJRR-INIZCTEOSA-N 1 1 381.911 4.004 20 0 GIADMO CC[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000126341902 823843967 /nfs/dbraw/zinc/84/39/67/823843967.db2.gz RORVVNMRJLXKKI-CRAIPNDOSA-N 1 1 381.358 4.384 20 0 GIADMO C[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(Br)cn1 ZINC000574857120 823844865 /nfs/dbraw/zinc/84/48/65/823844865.db2.gz WFSNKHQHACYREF-SNVBAGLBSA-N 1 1 390.203 4.031 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000126346622 823845234 /nfs/dbraw/zinc/84/52/34/823845234.db2.gz MXJMPEDLOKAMTJ-QAPCUYQASA-N 1 1 382.508 4.425 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000574858511 823845481 /nfs/dbraw/zinc/84/54/81/823845481.db2.gz SAPVWUMRMDNSKP-IEBWSBKVSA-N 1 1 398.304 4.147 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000574858511 823845485 /nfs/dbraw/zinc/84/54/85/823845485.db2.gz SAPVWUMRMDNSKP-IEBWSBKVSA-N 1 1 398.304 4.147 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000462161599 823849684 /nfs/dbraw/zinc/84/96/84/823849684.db2.gz YMTVURCILCSSGP-WZONZLPQSA-N 1 1 387.483 4.124 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000462168396 823851678 /nfs/dbraw/zinc/85/16/78/823851678.db2.gz XYVCSHPERQBLNK-FDDCHVKYSA-N 1 1 387.483 4.124 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+](C[C@H](C)O)C2CCCCC2)cs1)c1ccccc1 ZINC000165535446 823852252 /nfs/dbraw/zinc/85/22/52/823852252.db2.gz IQQQUOAQHHQGHJ-INIZCTEOSA-N 1 1 387.549 4.343 20 0 GIADMO CC(=O)N(c1nc(C[N@H+](C[C@H](C)O)C2CCCCC2)cs1)c1ccccc1 ZINC000165535446 823852255 /nfs/dbraw/zinc/85/22/55/823852255.db2.gz IQQQUOAQHHQGHJ-INIZCTEOSA-N 1 1 387.549 4.343 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@H]3c4ccccc4CCC[C@@H]3C)CC2)[nH+]1 ZINC000462170748 823852448 /nfs/dbraw/zinc/85/24/48/823852448.db2.gz MJMSEHTUEDCVRI-GAJHUEQPSA-N 1 1 392.547 4.372 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000462172899 823853337 /nfs/dbraw/zinc/85/33/37/823853337.db2.gz ZHYBZGZDAXWLTK-VJBWXMMDSA-N 1 1 399.579 4.251 20 0 GIADMO CSCC[C@@H]([NH2+]Cc1cccc(OCC(C)C)c1)c1nnc2ccccn21 ZINC000126384577 823853526 /nfs/dbraw/zinc/85/35/26/823853526.db2.gz IIEKQOXJJOLMKL-LJQANCHMSA-N 1 1 384.549 4.348 20 0 GIADMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561580 823853893 /nfs/dbraw/zinc/85/38/93/823853893.db2.gz WAUMJAWNJRGPNS-FHAGJXEFSA-N 1 1 388.559 4.417 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)c1cccs1 ZINC000165582644 823854944 /nfs/dbraw/zinc/85/49/44/823854944.db2.gz QNXXUPUVMHMKDS-CQSZACIVSA-N 1 1 383.483 4.370 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)[C@H](C)C2CC2)cc1 ZINC000064641433 823856211 /nfs/dbraw/zinc/85/62/11/823856211.db2.gz ORKFDZKVUFCRSX-LJQANCHMSA-N 1 1 392.543 4.144 20 0 GIADMO Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)cn2cc[nH+]c12 ZINC000574900847 823856565 /nfs/dbraw/zinc/85/65/65/823856565.db2.gz UTDZALMGYZXGJI-QGZVFWFLSA-N 1 1 388.830 4.041 20 0 GIADMO CCN(CC(C)C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413880524 823856536 /nfs/dbraw/zinc/85/65/36/823856536.db2.gz OHAHMYYWLRDFRP-UHFFFAOYSA-N 1 1 396.373 4.101 20 0 GIADMO CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644565 823856837 /nfs/dbraw/zinc/85/68/37/823856837.db2.gz APGMAXAHVDJYDZ-INIZCTEOSA-N 1 1 393.503 4.080 20 0 GIADMO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000126402123 823858184 /nfs/dbraw/zinc/85/81/84/823858184.db2.gz ZOVPBMMAJAQJMG-KSFYIVLOSA-N 1 1 381.495 4.096 20 0 GIADMO CCN(C(=O)NCC(C)(C)c1cccnc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000413887673 823859538 /nfs/dbraw/zinc/85/95/38/823859538.db2.gz JEDMMQPVHBAYNS-KNQAVFIVSA-N 1 1 394.563 4.226 20 0 GIADMO Cc1ccc2c(CCC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c[nH]c2c1 ZINC000462189089 823861306 /nfs/dbraw/zinc/86/13/06/823861306.db2.gz PAZSWJMUERRTGY-WZONZLPQSA-N 1 1 375.516 4.046 20 0 GIADMO Fc1ccccc1-c1noc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192106449 823862347 /nfs/dbraw/zinc/86/23/47/823862347.db2.gz PZYUDGSYKPKUPS-AEFFLSMTSA-N 1 1 391.805 4.288 20 0 GIADMO CSc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166058588 823868915 /nfs/dbraw/zinc/86/89/15/823868915.db2.gz ORICBNWRNQKNPQ-UHFFFAOYSA-N 1 1 376.913 4.119 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cnn(-c3ccc(Cl)cc3)c1C(C)C)C2 ZINC000574948667 823868843 /nfs/dbraw/zinc/86/88/43/823868843.db2.gz LZDKPJMGIQDYJX-HNNXBMFYSA-N 1 1 397.910 4.355 20 0 GIADMO Cc1ccc(-c2csc3ncnc(NCCN4CC[N@H+](C)C(C)(C)C4)c23)cc1 ZINC000574955353 823870645 /nfs/dbraw/zinc/87/06/45/823870645.db2.gz VQZDLBWADMHLBX-UHFFFAOYSA-N 1 1 395.576 4.105 20 0 GIADMO Cc1ccc(-c2csc3ncnc(NCC[N@H+]4CCN(C)C(C)(C)C4)c23)cc1 ZINC000574955353 823870654 /nfs/dbraw/zinc/87/06/54/823870654.db2.gz VQZDLBWADMHLBX-UHFFFAOYSA-N 1 1 395.576 4.105 20 0 GIADMO Cc1ccc(-c2csc3ncnc(NCC[N@@H+]4CCN(C)C(C)(C)C4)c23)cc1 ZINC000574955353 823870665 /nfs/dbraw/zinc/87/06/65/823870665.db2.gz VQZDLBWADMHLBX-UHFFFAOYSA-N 1 1 395.576 4.105 20 0 GIADMO C[C@H](CCNC(=O)NCc1ccc(C(F)F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000462209520 823872569 /nfs/dbraw/zinc/87/25/69/823872569.db2.gz KUZPLIBHXMHWOG-MRXNPFEDSA-N 1 1 375.463 4.334 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064725720 823872653 /nfs/dbraw/zinc/87/26/53/823872653.db2.gz KVKPLZJIIYQNFC-QKLQHJQFSA-N 1 1 379.548 4.258 20 0 GIADMO CCOc1ccc(SCC(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000064726288 823872750 /nfs/dbraw/zinc/87/27/50/823872750.db2.gz MVAMIFGBLWUBIJ-FGTMMUONSA-N 1 1 376.566 4.041 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000126465755 823875060 /nfs/dbraw/zinc/87/50/60/823875060.db2.gz PLVZESTVAFENPE-NWDGAFQWSA-N 1 1 397.306 4.082 20 0 GIADMO O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)c1cc(C[NH+]2CCCC2)on1 ZINC000462212999 823875235 /nfs/dbraw/zinc/87/52/35/823875235.db2.gz SSBZKJHFOCAUCN-OAQYLSRUSA-N 1 1 389.499 4.027 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000064735930 823875821 /nfs/dbraw/zinc/87/58/21/823875821.db2.gz FRDDTGKHFQRROW-ZIFCJYIRSA-N 1 1 378.944 4.363 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1C1CC1 ZINC000126468574 823876411 /nfs/dbraw/zinc/87/64/11/823876411.db2.gz STBWCFPAFUBELU-ICSRJNTNSA-N 1 1 394.563 4.026 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000166734867 823882388 /nfs/dbraw/zinc/88/23/88/823882388.db2.gz UJYCPTIHRBCWFN-SIKLNZKXSA-N 1 1 381.495 4.105 20 0 GIADMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000575000832 823884055 /nfs/dbraw/zinc/88/40/55/823884055.db2.gz OKEFQTCJTSJKSL-VSKRKVRLSA-N 1 1 382.548 4.039 20 0 GIADMO C[C@@H](CC(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F)C1CC1 ZINC000064785333 823886275 /nfs/dbraw/zinc/88/62/75/823886275.db2.gz GGHPKYRROGOAIN-GJZGRUSLSA-N 1 1 375.488 4.013 20 0 GIADMO C[C@@H](CC(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)C1CC1 ZINC000064785333 823886277 /nfs/dbraw/zinc/88/62/77/823886277.db2.gz GGHPKYRROGOAIN-GJZGRUSLSA-N 1 1 375.488 4.013 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N(CCc1ccccc1F)C1CCCC1 ZINC000462242035 823892508 /nfs/dbraw/zinc/89/25/08/823892508.db2.gz DOAPSIOHILFLID-UHFFFAOYSA-N 1 1 385.483 4.037 20 0 GIADMO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126537142 823893347 /nfs/dbraw/zinc/89/33/47/823893347.db2.gz UFOIYIQTXASWKG-OPAMFIHVSA-N 1 1 377.532 4.136 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(COCC2CC2)c1 ZINC000462244954 823893944 /nfs/dbraw/zinc/89/39/44/823893944.db2.gz INRPLMVKQQXXQA-MBSDFSHPSA-N 1 1 393.531 4.255 20 0 GIADMO C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462244913 823893993 /nfs/dbraw/zinc/89/39/93/823893993.db2.gz IBEITNCLTSWZPX-GFCCVEGCSA-N 1 1 394.302 4.337 20 0 GIADMO Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(C[NH+]3CCCC3)on2)s1 ZINC000462246716 823895204 /nfs/dbraw/zinc/89/52/04/823895204.db2.gz RSFDWJYLKFMMKH-UHFFFAOYSA-N 1 1 385.489 4.076 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000126546639 823895306 /nfs/dbraw/zinc/89/53/06/823895306.db2.gz BPBGYSQXMIGIBG-NRFANRHFSA-N 1 1 394.519 4.067 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccnc1Cl ZINC000167792005 823895983 /nfs/dbraw/zinc/89/59/83/823895983.db2.gz SNHZGYUGAGQGOR-ZIAGYGMSSA-N 1 1 377.891 4.247 20 0 GIADMO CCS[C@@H](C)c1noc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000126551229 823896314 /nfs/dbraw/zinc/89/63/14/823896314.db2.gz QKAYNZLFEZYSMR-KRWDZBQOSA-N 1 1 388.581 4.228 20 0 GIADMO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCCn2nc(C(C)C)nc21 ZINC000167990188 823898994 /nfs/dbraw/zinc/89/89/94/823898994.db2.gz MSMRGPDQTWFABS-BBRMVZONSA-N 1 1 382.537 4.414 20 0 GIADMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCC(=O)c1ccccc1 ZINC000064850149 823900202 /nfs/dbraw/zinc/90/02/02/823900202.db2.gz DKUGBHGXBUOLRV-QHCPKHFHSA-N 1 1 392.543 4.239 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](c2ccccc2)N2CCC(C)CC2)s1 ZINC000414071510 823901387 /nfs/dbraw/zinc/90/13/87/823901387.db2.gz LYBZBNFVNHWWLN-FUHWJXTLSA-N 1 1 387.549 4.054 20 0 GIADMO Cc1nc(-c2ccccc2F)sc1[C@H](C)NCC1([NH+](C)C)CCOCC1 ZINC000168273171 823902170 /nfs/dbraw/zinc/90/21/70/823902170.db2.gz YIZHTXISECDIIR-AWEZNQCLSA-N 1 1 377.529 4.019 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCCS2)n1C1CC1 ZINC000575066824 823902983 /nfs/dbraw/zinc/90/29/83/823902983.db2.gz HIKOIJSCLIUJNM-AZUAARDMSA-N 1 1 397.592 4.139 20 0 GIADMO Cc1cc(CNC(=O)N2CC(Cc3ccccc3Cl)C2)cc(N2CCCC2)[nH+]1 ZINC000462262555 823904541 /nfs/dbraw/zinc/90/45/41/823904541.db2.gz LSEJHNDYUGFERF-UHFFFAOYSA-N 1 1 398.938 4.028 20 0 GIADMO CC(C)OCc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462264351 823905472 /nfs/dbraw/zinc/90/54/72/823905472.db2.gz XESVIVGIEOWIRE-GCJKJVERSA-N 1 1 381.520 4.254 20 0 GIADMO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000168652100 823905815 /nfs/dbraw/zinc/90/58/15/823905815.db2.gz XXTPUKUKRJHXII-CYBMUJFWSA-N 1 1 376.234 4.496 20 0 GIADMO Cc1cc(CNC(=O)N(Cc2ccccc2F)C2CC2)cc(N2CCCC2)[nH+]1 ZINC000462266731 823906298 /nfs/dbraw/zinc/90/62/98/823906298.db2.gz LNFYELPNGQQHBN-UHFFFAOYSA-N 1 1 382.483 4.004 20 0 GIADMO COc1ccc(CCC[N@@H+](C)C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000168993062 823907257 /nfs/dbraw/zinc/90/72/57/823907257.db2.gz CTIVXMDEEMUQQI-NRFANRHFSA-N 1 1 379.500 4.153 20 0 GIADMO Cc1cccnc1OC1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000575097557 823912022 /nfs/dbraw/zinc/91/20/22/823912022.db2.gz BNIIXHZAGPCNOD-IEBWSBKVSA-N 1 1 399.560 4.047 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000575111933 823915014 /nfs/dbraw/zinc/91/50/14/823915014.db2.gz XOYQFEHXRIXTEM-UHFFFAOYSA-N 1 1 399.413 4.207 20 0 GIADMO CC(=O)Nc1cccc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1 ZINC000170643321 823925056 /nfs/dbraw/zinc/92/50/56/823925056.db2.gz AFXLDTVNCSOAKZ-OALUTQOASA-N 1 1 379.287 4.042 20 0 GIADMO C[C@@H]1C[C@H](N[C@H](c2nccn2C)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000575152196 823925238 /nfs/dbraw/zinc/92/52/38/823925238.db2.gz NXVYUJFNYNPUOF-XQFWAAQXSA-N 1 1 392.522 4.291 20 0 GIADMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nc2ccccc2s1)C(=O)NC(C)(C)C ZINC000414195565 823926047 /nfs/dbraw/zinc/92/60/47/823926047.db2.gz WUZSBLYJKCLRMJ-QAPCUYQASA-N 1 1 381.545 4.473 20 0 GIADMO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1)C(=O)NC(C)(C)C ZINC000414195561 823926096 /nfs/dbraw/zinc/92/60/96/823926096.db2.gz WUZSBLYJKCLRMJ-CRAIPNDOSA-N 1 1 381.545 4.473 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414197508 823926300 /nfs/dbraw/zinc/92/63/00/823926300.db2.gz WOFJGARUJFQTIV-SJORKVTESA-N 1 1 375.476 4.059 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)c1 ZINC000414208359 823929288 /nfs/dbraw/zinc/92/92/88/823929288.db2.gz IQUVDAZMRASURV-QGZVFWFLSA-N 1 1 385.863 4.189 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000414211528 823929639 /nfs/dbraw/zinc/92/96/39/823929639.db2.gz PCJNDDFLNZEMKP-SNVBAGLBSA-N 1 1 391.842 4.402 20 0 GIADMO CCCCOc1ccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1Cl ZINC000462342055 823931742 /nfs/dbraw/zinc/93/17/42/823931742.db2.gz ODWFXJSUBXQZND-UHFFFAOYSA-N 1 1 391.899 4.033 20 0 GIADMO CCCOc1ccc(Br)cc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000462345208 823933042 /nfs/dbraw/zinc/93/30/42/823933042.db2.gz JZHURYICTYANBH-KRWDZBQOSA-N 1 1 382.273 4.200 20 0 GIADMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC=C(c2cccnc2)C1 ZINC000575203077 823938019 /nfs/dbraw/zinc/93/80/19/823938019.db2.gz DUSOTVBOZMSQHH-UHFFFAOYSA-N 1 1 397.522 4.400 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414247414 823939558 /nfs/dbraw/zinc/93/95/58/823939558.db2.gz VJUWWLFATYLYAL-AWEZNQCLSA-N 1 1 386.542 4.373 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000065102904 823942690 /nfs/dbraw/zinc/94/26/90/823942690.db2.gz ZHKXLYXDOAMSQS-UHFFFAOYSA-N 1 1 396.922 4.296 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000575221236 823944169 /nfs/dbraw/zinc/94/41/69/823944169.db2.gz LJIXTMHMPJBPRC-UHFFFAOYSA-N 1 1 378.303 4.086 20 0 GIADMO CC(C)c1c(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cnn1-c1ccccc1 ZINC000192330589 823948088 /nfs/dbraw/zinc/94/80/88/823948088.db2.gz WYKGNCXFSFKBSW-GOSISDBHSA-N 1 1 383.540 4.334 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCCOc2ccccc2Cl)C1 ZINC000065128641 823949500 /nfs/dbraw/zinc/94/95/00/823949500.db2.gz AQOJKGFBHYNCJL-FGTMMUONSA-N 1 1 378.944 4.363 20 0 GIADMO Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)cc2)n1 ZINC000065140897 823950365 /nfs/dbraw/zinc/95/03/65/823950365.db2.gz CQIOOHLXZHECTI-UGKGYDQZSA-N 1 1 388.515 4.054 20 0 GIADMO CCOc1ccc(SCC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000065140763 823950840 /nfs/dbraw/zinc/95/08/40/823950840.db2.gz IYCXESQJEYGNTJ-MJGOQNOKSA-N 1 1 384.545 4.129 20 0 GIADMO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCCC[C@H]2F)c2ccc(F)cc2)c1 ZINC000414283199 823950976 /nfs/dbraw/zinc/95/09/76/823950976.db2.gz IWCFEFZKJCIXKQ-AQNXPRMDSA-N 1 1 379.472 4.189 20 0 GIADMO CC[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311331 823952772 /nfs/dbraw/zinc/95/27/72/823952772.db2.gz BFMXEUMIIYQNQR-NHCUHLMSSA-N 1 1 393.579 4.242 20 0 GIADMO C[C@H]1CCN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000575319479 823954410 /nfs/dbraw/zinc/95/44/10/823954410.db2.gz VLLGHKINUHIKKH-KRWDZBQOSA-N 1 1 375.472 4.034 20 0 GIADMO Cc1ccc(C[N@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C(C)C)s1 ZINC000065162520 823955499 /nfs/dbraw/zinc/95/54/99/823955499.db2.gz SVMTXYNDHXHIKK-CQSZACIVSA-N 1 1 380.504 4.293 20 0 GIADMO C[N@H+](Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S)C(C1CC1)C1CC1 ZINC000170727752 823956148 /nfs/dbraw/zinc/95/61/48/823956148.db2.gz YDVHFYZADPXMKR-UHFFFAOYSA-N 1 1 395.532 4.195 20 0 GIADMO C[N@@H+](Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S)C(C1CC1)C1CC1 ZINC000170727752 823956156 /nfs/dbraw/zinc/95/61/56/823956156.db2.gz YDVHFYZADPXMKR-UHFFFAOYSA-N 1 1 395.532 4.195 20 0 GIADMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000170733792 823957571 /nfs/dbraw/zinc/95/75/71/823957571.db2.gz PIMPXUOXURSRGB-CYBMUJFWSA-N 1 1 397.466 4.306 20 0 GIADMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000170736284 823957686 /nfs/dbraw/zinc/95/76/86/823957686.db2.gz CJRIIGZKYNGEGS-LJQANCHMSA-N 1 1 388.515 4.017 20 0 GIADMO CC(C)([NH2+]Cn1sc2ccccc2c1=O)c1ccc(Br)cc1 ZINC000065188197 823957833 /nfs/dbraw/zinc/95/78/33/823957833.db2.gz IFNVRCBIPVPNAT-UHFFFAOYSA-N 1 1 377.307 4.308 20 0 GIADMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000575367580 823963254 /nfs/dbraw/zinc/96/32/54/823963254.db2.gz CDCHRHDPXSDZAB-GOSISDBHSA-N 1 1 385.527 4.141 20 0 GIADMO CCc1ncc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355557 823963705 /nfs/dbraw/zinc/96/37/05/823963705.db2.gz AHVVQBZATAWQON-PXNSSMCTSA-N 1 1 392.469 4.231 20 0 GIADMO CCc1ncc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355557 823963711 /nfs/dbraw/zinc/96/37/11/823963711.db2.gz AHVVQBZATAWQON-PXNSSMCTSA-N 1 1 392.469 4.231 20 0 GIADMO CO[C@@](C)(C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1F ZINC000192374507 823964163 /nfs/dbraw/zinc/96/41/63/823964163.db2.gz JTHOQOTYSYUYIX-IVZQSRNASA-N 1 1 381.451 4.059 20 0 GIADMO COc1ccc(Br)cc1-c1nc(C[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC000170766537 823965450 /nfs/dbraw/zinc/96/54/50/823965450.db2.gz CPXQATQIBVKTIK-GFCCVEGCSA-N 1 1 397.338 4.192 20 0 GIADMO COc1ccc(Br)cc1-c1nc(C[N@H+]2CCCO[C@H](C)C2)cs1 ZINC000170766537 823965460 /nfs/dbraw/zinc/96/54/60/823965460.db2.gz CPXQATQIBVKTIK-GFCCVEGCSA-N 1 1 397.338 4.192 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)CC1 ZINC000170774807 823967496 /nfs/dbraw/zinc/96/74/96/823967496.db2.gz FFOWCPKQDXPVNM-UHFFFAOYSA-N 1 1 380.319 4.306 20 0 GIADMO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)c2c1 ZINC000575408924 823967717 /nfs/dbraw/zinc/96/77/17/823967717.db2.gz APIPSBUJOYIASS-QVKFZJNVSA-N 1 1 395.528 4.220 20 0 GIADMO Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126859255 823968072 /nfs/dbraw/zinc/96/80/72/823968072.db2.gz ZCEFRDFBGAMDCX-UWJYYQICSA-N 1 1 382.458 4.032 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000192389384 823968575 /nfs/dbraw/zinc/96/85/75/823968575.db2.gz BLEGPQZHTLYGQN-OAHLLOKOSA-N 1 1 375.513 4.044 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)c2C1 ZINC000192389384 823968580 /nfs/dbraw/zinc/96/85/80/823968580.db2.gz BLEGPQZHTLYGQN-OAHLLOKOSA-N 1 1 375.513 4.044 20 0 GIADMO CCc1ncc(C[N@H+](C)[C@@H]2CCSc3ccc(Br)cc32)cn1 ZINC000414377623 823969031 /nfs/dbraw/zinc/96/90/31/823969031.db2.gz BOIHREDWOKCFIY-OAHLLOKOSA-N 1 1 378.339 4.470 20 0 GIADMO CCc1ncc(C[N@@H+](C)[C@@H]2CCSc3ccc(Br)cc32)cn1 ZINC000414377623 823969039 /nfs/dbraw/zinc/96/90/39/823969039.db2.gz BOIHREDWOKCFIY-OAHLLOKOSA-N 1 1 378.339 4.470 20 0 GIADMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000575415368 823969107 /nfs/dbraw/zinc/96/91/07/823969107.db2.gz HGQSKSUQDOAVHA-UNMCSNQZSA-N 1 1 394.515 4.253 20 0 GIADMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000575415368 823969115 /nfs/dbraw/zinc/96/91/15/823969115.db2.gz HGQSKSUQDOAVHA-UNMCSNQZSA-N 1 1 394.515 4.253 20 0 GIADMO CCc1ncc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cn1 ZINC000414380336 823969742 /nfs/dbraw/zinc/96/97/42/823969742.db2.gz ITXVIQAVVQEQGU-MRXNPFEDSA-N 1 1 383.883 4.122 20 0 GIADMO Cc1oc2nc(C[N@@H+](CC(C)C)[C@@H]3CCCc4cccnc43)nc(N)c2c1C ZINC000126883377 823973597 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ZINC000192630508 824050350 /nfs/dbraw/zinc/05/03/50/824050350.db2.gz ZEQWDOLHYLQGMS-HNNXBMFYSA-N 1 1 381.925 4.205 20 0 GIADMO COc1ccc2onc(CC(=O)Nc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)c2c1 ZINC000414928424 824051459 /nfs/dbraw/zinc/05/14/59/824051459.db2.gz NBVDGBCFBHFHLQ-INIZCTEOSA-N 1 1 393.487 4.250 20 0 GIADMO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192645951 824055427 /nfs/dbraw/zinc/05/54/27/824055427.db2.gz ROLUDLITLWMDPF-CQSZACIVSA-N 1 1 392.316 4.298 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000016355607 210189267 /nfs/dbraw/zinc/18/92/67/210189267.db2.gz WAYXZVJYAPQYSI-FQEVSTJZSA-N 1 1 396.487 4.022 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000016355607 210189272 /nfs/dbraw/zinc/18/92/72/210189272.db2.gz WAYXZVJYAPQYSI-FQEVSTJZSA-N 1 1 396.487 4.022 20 0 GIADMO COc1ccc([C@H](O)[C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000359979796 209209512 /nfs/dbraw/zinc/20/95/12/209209512.db2.gz VGMFHWXZIVCCLR-QUCCMNQESA-N 1 1 399.878 4.097 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000003540465 212061702 /nfs/dbraw/zinc/06/17/02/212061702.db2.gz UGSWNTKAQRKASB-UHFFFAOYSA-N 1 1 381.701 4.481 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000003540465 212061704 /nfs/dbraw/zinc/06/17/04/212061704.db2.gz UGSWNTKAQRKASB-UHFFFAOYSA-N 1 1 381.701 4.481 20 0 GIADMO c1ccc(CCc2noc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000020601592 210350625 /nfs/dbraw/zinc/35/06/25/210350625.db2.gz ZZFXFMODUQFGHA-SFHVURJKSA-N 1 1 388.471 4.376 20 0 GIADMO c1ccc(CCc2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000020601592 210350630 /nfs/dbraw/zinc/35/06/30/210350630.db2.gz ZZFXFMODUQFGHA-SFHVURJKSA-N 1 1 388.471 4.376 20 0 GIADMO Cc1[nH+]cc2n1CCN(C(F)(F)Oc1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164439852 718990362 /nfs/dbraw/zinc/99/03/62/718990362.db2.gz GNJOPFZDBAGYBT-UHFFFAOYSA-N 1 1 390.821 4.352 20 0 GIADMO CCOC(=O)c1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncc1Cl ZINC001164623665 719058440 /nfs/dbraw/zinc/05/84/40/719058440.db2.gz KHVTTWPASBTWGU-FXAWDEMLSA-N 1 1 399.922 4.013 20 0 GIADMO Cc1nc2cc(F)ccc2c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164624356 719068071 /nfs/dbraw/zinc/06/80/71/719068071.db2.gz LJTRQUSBMJCDFM-XMSQKQJNSA-N 1 1 376.479 4.178 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164623651 719077118 /nfs/dbraw/zinc/07/71/18/719077118.db2.gz KBPRBTUWRCGXKG-SFTDATJTSA-N 1 1 393.531 4.138 20 0 GIADMO Clc1cccc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ncc12 ZINC001164628524 719082884 /nfs/dbraw/zinc/08/28/84/719082884.db2.gz SFAUJNAWCALXER-UWJYYQICSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1ccnc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC001164628879 719083670 /nfs/dbraw/zinc/08/36/70/719083670.db2.gz UEWIOCFUQMYGCR-XLIONFOSSA-N 1 1 378.907 4.384 20 0 GIADMO Fc1cccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164632525 719103143 /nfs/dbraw/zinc/10/31/43/719103143.db2.gz ZQZNIDJWYKCPHE-NZQKXSOJSA-N 1 1 388.490 4.384 20 0 GIADMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164636679 719170914 /nfs/dbraw/zinc/17/09/14/719170914.db2.gz MZINISVKFQXZOQ-UWVGGRQHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164636679 719170915 /nfs/dbraw/zinc/17/09/15/719170915.db2.gz MZINISVKFQXZOQ-UWVGGRQHSA-N 1 1 375.250 4.010 20 0 GIADMO COCc1nc2scc(-c3ccccc3)c2c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000508374630 719245756 /nfs/dbraw/zinc/24/57/56/719245756.db2.gz FHRIQHQHHMGCGT-LSDHHAIUSA-N 1 1 382.533 4.034 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164631768 719257446 /nfs/dbraw/zinc/25/74/46/719257446.db2.gz FUMWWQHNXUNZOD-VXGBXAGGSA-N 1 1 384.833 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1cc(-c2cccc(F)c2)nnc1Cl ZINC001164631768 719257447 /nfs/dbraw/zinc/25/74/47/719257447.db2.gz FUMWWQHNXUNZOD-VXGBXAGGSA-N 1 1 384.833 4.010 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nnc(Cl)cc2Cl)CC3)cs1 ZINC001164692943 719804646 /nfs/dbraw/zinc/80/46/46/719804646.db2.gz QSINTPGFYZJBLG-UHFFFAOYSA-N 1 1 398.363 4.183 20 0 GIADMO COc1ccc(Cl)nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164692608 719809457 /nfs/dbraw/zinc/80/94/57/719809457.db2.gz LDCYQYDATPRNGO-UHFFFAOYSA-N 1 1 392.956 4.144 20 0 GIADMO COc1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(Cl)c1 ZINC001164692631 719811314 /nfs/dbraw/zinc/81/13/14/719811314.db2.gz PUEWISFLSVTPOC-UHFFFAOYSA-N 1 1 392.956 4.144 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3ccsc31)C2 ZINC001164814229 720098936 /nfs/dbraw/zinc/09/89/36/720098936.db2.gz WFSUYEJDHIXMEA-FOIQADDNSA-N 1 1 391.968 4.134 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3cccc(Cl)c31)C2 ZINC001164814465 720122099 /nfs/dbraw/zinc/12/20/99/720122099.db2.gz SZQXCMGCBAMLBQ-AVRDEDQJSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3ccc(Cl)c(C)c3n1)C2 ZINC001164814377 720151999 /nfs/dbraw/zinc/15/19/99/720151999.db2.gz FXZWHFYNMBYCAC-CVDCTZTESA-N 1 1 399.966 4.381 20 0 GIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721101 720340635 /nfs/dbraw/zinc/34/06/35/720340635.db2.gz AGXKQDAZGMVYTQ-CVEARBPZSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721101 720340640 /nfs/dbraw/zinc/34/06/40/720340640.db2.gz AGXKQDAZGMVYTQ-CVEARBPZSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164730483 720341719 /nfs/dbraw/zinc/34/17/19/720341719.db2.gz ZSKQCOWLNXHQEH-CABCVRRESA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccnc(Cl)c1Cl)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730483 720341724 /nfs/dbraw/zinc/34/17/24/720341724.db2.gz ZSKQCOWLNXHQEH-CABCVRRESA-N 1 1 399.272 4.182 20 0 GIADMO Fc1ccc2nc(Cl)cc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729770 720357232 /nfs/dbraw/zinc/35/72/32/720357232.db2.gz XYGHZFOFSAEMDK-RBUKOAKNSA-N 1 1 382.870 4.276 20 0 GIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726510 720397368 /nfs/dbraw/zinc/39/73/68/720397368.db2.gz OZWPVTBWJATUQZ-WOJBJXKFSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1cc2nc(Cl)c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2cc1C ZINC001164725815 720405400 /nfs/dbraw/zinc/40/54/00/720405400.db2.gz NQUJRFXMEVLSIV-PMACEKPBSA-N 1 1 393.922 4.148 20 0 GIADMO Cc1ccc2c(c1)cc(Cl)nc2N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727768 720414804 /nfs/dbraw/zinc/41/48/04/720414804.db2.gz FAYMGVOTKNWQLM-WOJBJXKFSA-N 1 1 378.907 4.445 20 0 GIADMO CC(C)(C)c1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164734772 720431924 /nfs/dbraw/zinc/43/19/24/720431924.db2.gz UHVZRFLCWAUMDS-RTBURBONSA-N 1 1 393.579 4.320 20 0 GIADMO Fc1ccc(Cl)c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc12 ZINC001164724782 720473741 /nfs/dbraw/zinc/47/37/41/720473741.db2.gz HHTYKOTZEKIRRH-MOPGFXCFSA-N 1 1 382.870 4.276 20 0 GIADMO COc1cc2cnc(Cl)cc2cc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164731649 720489611 /nfs/dbraw/zinc/48/96/11/720489611.db2.gz XEZHYXQYUNQWKS-RBUKOAKNSA-N 1 1 394.906 4.145 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCC(=O)N3)[C@H]2CC)nc1 ZINC001164849001 720757411 /nfs/dbraw/zinc/75/74/11/720757411.db2.gz RUKIRKLQLRMPBZ-TXTKFYIRSA-N 1 1 384.568 4.046 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3OCCC[C@]3(COC)C2)nc1 ZINC001164847018 720828786 /nfs/dbraw/zinc/82/87/86/720828786.db2.gz HOYBMFAQRMOVDQ-FUPPJEDESA-N 1 1 387.568 4.041 20 0 GIADMO Cc1ccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)nn2)cc1 ZINC001164861599 721000071 /nfs/dbraw/zinc/00/00/71/721000071.db2.gz QAIFVCALDDFUAA-GOSISDBHSA-N 1 1 390.535 4.070 20 0 GIADMO Cc1nc2sc3c(c2c(N2CC4(C2)CC[N@@H+](CC2CC2)C4)n1)CCCCC3 ZINC001164769681 721299109 /nfs/dbraw/zinc/29/91/09/721299109.db2.gz LLFFHRUFXDNRFG-UHFFFAOYSA-N 1 1 382.577 4.191 20 0 GIADMO Clc1ccc(-c2ccccc2)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164789673 721408898 /nfs/dbraw/zinc/40/88/98/721408898.db2.gz WDUMYIGQEKCJAY-IRXDYDNUSA-N 1 1 396.947 4.427 20 0 GIADMO Cc1ccc2c(c1)nc(Cl)cc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786233 721415083 /nfs/dbraw/zinc/41/50/83/721415083.db2.gz OHAWGQGJBPBZLF-GASCZTMLSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1cc2ccccc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903021 721545002 /nfs/dbraw/zinc/54/50/02/721545002.db2.gz BVBXAVPINILQOZ-TZIWHRDSSA-N 1 1 377.463 4.024 20 0 GIADMO Cc1cc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908470 721584956 /nfs/dbraw/zinc/58/49/56/721584956.db2.gz ZIBVLNUDMHMKQX-IBGZPJMESA-N 1 1 392.881 4.176 20 0 GIADMO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ccc1Cl ZINC001164908360 721699373 /nfs/dbraw/zinc/69/93/73/721699373.db2.gz YMZMZVKGEWAPIN-IBGZPJMESA-N 1 1 392.881 4.176 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)ncc1F)C2 ZINC001164909543 721753849 /nfs/dbraw/zinc/75/38/49/721753849.db2.gz HLOTVVKSTOLTFL-UHFFFAOYSA-N 1 1 386.858 4.057 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)ncc1F)C2 ZINC001164909543 721753852 /nfs/dbraw/zinc/75/38/52/721753852.db2.gz HLOTVVKSTOLTFL-UHFFFAOYSA-N 1 1 386.858 4.057 20 0 GIADMO Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023501 721815483 /nfs/dbraw/zinc/81/54/83/721815483.db2.gz HGPGNVSMCPGQFI-CUWPLCDZSA-N 1 1 384.955 4.484 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001165019925 721825923 /nfs/dbraw/zinc/82/59/23/721825923.db2.gz CNDXLMZVNVOPLL-TYPHKJRUSA-N 1 1 393.579 4.214 20 0 GIADMO Cc1cc2cccnc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023072 721828465 /nfs/dbraw/zinc/82/84/65/721828465.db2.gz HJVBTSUXAXDYNZ-NNWRFLSQSA-N 1 1 387.531 4.070 20 0 GIADMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930551 721877630 /nfs/dbraw/zinc/87/76/30/721877630.db2.gz DEWCJBOVYPWAAP-ZEQRLZLVSA-N 1 1 386.543 4.116 20 0 GIADMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164930551 721877631 /nfs/dbraw/zinc/87/76/31/721877631.db2.gz DEWCJBOVYPWAAP-ZEQRLZLVSA-N 1 1 386.543 4.116 20 0 GIADMO CSc1ccnc(Cl)c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955692 722019361 /nfs/dbraw/zinc/01/93/61/722019361.db2.gz NKVUWQGGPWOREM-UHFFFAOYSA-N 1 1 388.968 4.344 20 0 GIADMO Cc1ccc(N2C[C@@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)CC2=O)s1 ZINC001164964960 722044823 /nfs/dbraw/zinc/04/48/23/722044823.db2.gz WKOSXJUPXJYPOL-FQEVSTJZSA-N 1 1 389.952 4.469 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(Cl)ncc2Cl)C3)c1 ZINC001164995345 722193258 /nfs/dbraw/zinc/19/32/58/722193258.db2.gz UTCLKTAPIVLVFA-SFHVURJKSA-N 1 1 381.282 4.167 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)ncc2Cl)C3)c1 ZINC001164995345 722193261 /nfs/dbraw/zinc/19/32/61/722193261.db2.gz UTCLKTAPIVLVFA-SFHVURJKSA-N 1 1 381.282 4.167 20 0 GIADMO Cc1cccc2c1ncnc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164992658 722196419 /nfs/dbraw/zinc/19/64/19/722196419.db2.gz AMUCZXAVZXXBDZ-HSZRJFAPSA-N 1 1 376.479 4.322 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nnc(Cl)c4cccnc42)C3)c1 ZINC001164996009 722200523 /nfs/dbraw/zinc/20/05/23/722200523.db2.gz RJIQYMOHESHKAQ-NRFANRHFSA-N 1 1 397.885 4.062 20 0 GIADMO COc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc2ccccc21 ZINC001164995584 722202926 /nfs/dbraw/zinc/20/29/26/722202926.db2.gz OKTUFLDJJRBHFE-HSZRJFAPSA-N 1 1 392.478 4.022 20 0 GIADMO CSc1cnc(Cl)c(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996721 722206473 /nfs/dbraw/zinc/20/64/73/722206473.db2.gz VVZOJWPPXWKGFA-IBGZPJMESA-N 1 1 392.931 4.236 20 0 GIADMO CSc1cnc(Cl)c(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164996721 722206474 /nfs/dbraw/zinc/20/64/74/722206474.db2.gz VVZOJWPPXWKGFA-IBGZPJMESA-N 1 1 392.931 4.236 20 0 GIADMO Cc1ccc(-c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nn2)o1 ZINC001164993781 722209788 /nfs/dbraw/zinc/20/97/88/722209788.db2.gz BGRMAHFMMOFYKW-QHCPKHFHSA-N 1 1 392.478 4.429 20 0 GIADMO C[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)s1 ZINC000175811361 823045647 /nfs/dbraw/zinc/04/56/47/823045647.db2.gz SXKJHPLZTVIMTP-GJZGRUSLSA-N 1 1 392.952 4.042 20 0 GIADMO C[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)s1 ZINC000175811361 823045651 /nfs/dbraw/zinc/04/56/51/823045651.db2.gz SXKJHPLZTVIMTP-GJZGRUSLSA-N 1 1 392.952 4.042 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000458491521 823047178 /nfs/dbraw/zinc/04/71/78/823047178.db2.gz JZTLTHNMDJUUGN-TXTKFYIRSA-N 1 1 394.563 4.145 20 0 GIADMO CN1C(=O)CCc2cc(C[NH2+][C@@H](c3cccc(F)c3)c3ccccn3)ccc21 ZINC000187347760 823047290 /nfs/dbraw/zinc/04/72/90/823047290.db2.gz GLUJKVGHAYSVQT-QHCPKHFHSA-N 1 1 375.447 4.009 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000175821047 823047867 /nfs/dbraw/zinc/04/78/67/823047867.db2.gz RTMHHGJULHHPEE-UHFFFAOYSA-N 1 1 379.291 4.128 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000175821047 823047874 /nfs/dbraw/zinc/04/78/74/823047874.db2.gz RTMHHGJULHHPEE-UHFFFAOYSA-N 1 1 379.291 4.128 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)Nc1ccc(Cl)cc1F ZINC000175830113 823049855 /nfs/dbraw/zinc/04/98/55/823049855.db2.gz IIMCDHAICYWZBY-RHSMWYFYSA-N 1 1 396.915 4.457 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1C ZINC000175833008 823050457 /nfs/dbraw/zinc/05/04/57/823050457.db2.gz SYSRDWMWMMFLQD-MRXNPFEDSA-N 1 1 397.548 4.464 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000187369202 823050908 /nfs/dbraw/zinc/05/09/08/823050908.db2.gz QYIBAMFIMNVKDB-FQEVSTJZSA-N 1 1 380.467 4.477 20 0 GIADMO O=c1cc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000055855291 823054106 /nfs/dbraw/zinc/05/41/06/823054106.db2.gz WBBDOTCELXXAKR-JOCHJYFZSA-N 1 1 393.849 4.366 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000187375154 823052016 /nfs/dbraw/zinc/05/20/16/823052016.db2.gz YMIXHSLZGVENFL-XXBNENTESA-N 1 1 399.579 4.162 20 0 GIADMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000570550261 823052719 /nfs/dbraw/zinc/05/27/19/823052719.db2.gz ACYDOQDTNBXMPP-LLVKDONJSA-N 1 1 377.888 4.161 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)cc1F ZINC000175858022 823056511 /nfs/dbraw/zinc/05/65/11/823056511.db2.gz JOFRZKHEGUIWJN-MAUKXSAKSA-N 1 1 394.487 4.333 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)cc1F ZINC000175858022 823056518 /nfs/dbraw/zinc/05/65/18/823056518.db2.gz JOFRZKHEGUIWJN-MAUKXSAKSA-N 1 1 394.487 4.333 20 0 GIADMO O=C(Nc1cc(F)ccc1OCC(F)(F)F)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000175857989 823056573 /nfs/dbraw/zinc/05/65/73/823056573.db2.gz UOTSHJGDACCQLU-ZDUSSCGKSA-N 1 1 388.405 4.360 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)Nc1cccnc1Cl ZINC000175857240 823056704 /nfs/dbraw/zinc/05/67/04/823056704.db2.gz YYHGWGIEPVJLOO-ZBFHGGJFSA-N 1 1 393.940 4.103 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)Nc1cccnc1Cl ZINC000175857240 823056710 /nfs/dbraw/zinc/05/67/10/823056710.db2.gz YYHGWGIEPVJLOO-ZBFHGGJFSA-N 1 1 393.940 4.103 20 0 GIADMO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cs2)cc1 ZINC000120755915 823057926 /nfs/dbraw/zinc/05/79/26/823057926.db2.gz UQOHPJNADYPYKX-KXBFYZLASA-N 1 1 387.549 4.010 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 ZINC000055898149 823063309 /nfs/dbraw/zinc/06/33/09/823063309.db2.gz RFCBDZODDDLQDD-QGZVFWFLSA-N 1 1 397.569 4.470 20 0 GIADMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)nc1)c1ccccc1 ZINC000187434080 823062823 /nfs/dbraw/zinc/06/28/23/823062823.db2.gz SFLYLEHNIGWBKY-LYZGTLIUSA-N 1 1 398.503 4.009 20 0 GIADMO Cc1cnc([C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C2CC2)s1 ZINC000175901461 823067744 /nfs/dbraw/zinc/06/77/44/823067744.db2.gz GUPOPSXZQXRBAF-GOSISDBHSA-N 1 1 399.495 4.035 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C(C)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458621822 823065028 /nfs/dbraw/zinc/06/50/28/823065028.db2.gz AYBUMKIGMLGMNI-DOTOQJQBSA-N 1 1 379.495 4.251 20 0 GIADMO COC(=O)c1sccc1C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000120792248 823065036 /nfs/dbraw/zinc/06/50/36/823065036.db2.gz RQCJRTNTCSEMQM-KRWDZBQOSA-N 1 1 379.909 4.134 20 0 GIADMO C[C@@H](NC(=O)N1CCc2cccc(Cl)c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458629250 823066570 /nfs/dbraw/zinc/06/65/70/823066570.db2.gz IWSTVLXYXANNPJ-WBVHZDCISA-N 1 1 375.944 4.061 20 0 GIADMO C[C@H](NC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458632059 823067129 /nfs/dbraw/zinc/06/71/29/823067129.db2.gz NCYRPYCPWFANKQ-QXAKKESOSA-N 1 1 389.971 4.492 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000175903045 823068319 /nfs/dbraw/zinc/06/83/19/823068319.db2.gz DVZOOXFKXXRJOX-HXUWFJFHSA-N 1 1 393.531 4.388 20 0 GIADMO Cc1cccc2[nH+]c(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)cn21 ZINC000120811481 823068948 /nfs/dbraw/zinc/06/89/48/823068948.db2.gz JPSOUIHCHASSEY-UHFFFAOYSA-N 1 1 390.443 4.269 20 0 GIADMO COc1ccc2nc(C[NH2+][C@@H](CC(=O)OC(C)C)c3ccccc3)sc2c1 ZINC000187470503 823069378 /nfs/dbraw/zinc/06/93/78/823069378.db2.gz SQLUSYRETCAXCU-SFHVURJKSA-N 1 1 384.501 4.478 20 0 GIADMO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000120814985 823069852 /nfs/dbraw/zinc/06/98/52/823069852.db2.gz HOBDBHYSMSSBKS-HTAPYJJXSA-N 1 1 377.532 4.404 20 0 GIADMO O=C(CCC[N@@H+]1CCC[C@@H]1CN1CCCCC1)c1ccc(Br)cc1 ZINC000570688126 823072204 /nfs/dbraw/zinc/07/22/04/823072204.db2.gz RSVMVVCYEAMIPZ-LJQANCHMSA-N 1 1 393.369 4.362 20 0 GIADMO O=C(CCC[N@H+]1CCC[C@@H]1CN1CCCCC1)c1ccc(Br)cc1 ZINC000570688126 823072209 /nfs/dbraw/zinc/07/22/09/823072209.db2.gz RSVMVVCYEAMIPZ-LJQANCHMSA-N 1 1 393.369 4.362 20 0 GIADMO FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@H]3[C@@H]3CCCOC3)n2)c1 ZINC000570679259 823071139 /nfs/dbraw/zinc/07/11/39/823071139.db2.gz QTDVRKLHXPYTPH-ZBFHGGJFSA-N 1 1 381.398 4.146 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC(F)(F)F)cc1 ZINC000055952267 823071508 /nfs/dbraw/zinc/07/15/08/823071508.db2.gz PFZRDXYNJWWVJD-UHFFFAOYSA-N 1 1 388.336 4.324 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC(F)(F)F)cc1 ZINC000055952267 823071512 /nfs/dbraw/zinc/07/15/12/823071512.db2.gz PFZRDXYNJWWVJD-UHFFFAOYSA-N 1 1 388.336 4.324 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)cs1 ZINC000120829944 823072788 /nfs/dbraw/zinc/07/27/88/823072788.db2.gz YYGANWVZWMCQLK-IFMALSPDSA-N 1 1 397.588 4.191 20 0 GIADMO C[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ncc(Br)cc1F ZINC000187487893 823073599 /nfs/dbraw/zinc/07/35/99/823073599.db2.gz GELSNHHSVGVTHV-JSGCOSHPSA-N 1 1 387.293 4.100 20 0 GIADMO Cc1ccc2snc(C(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)c2c1 ZINC000570704228 823073844 /nfs/dbraw/zinc/07/38/44/823073844.db2.gz NTOFIYUBKVYSBU-KRWDZBQOSA-N 1 1 379.529 4.341 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC000570706919 823074052 /nfs/dbraw/zinc/07/40/52/823074052.db2.gz BHZWKWLKQNVGJT-AWEZNQCLSA-N 1 1 377.529 4.072 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000175933488 823076417 /nfs/dbraw/zinc/07/64/17/823076417.db2.gz MMVIYCJIXCCCFJ-AOYPEHQESA-N 1 1 388.555 4.261 20 0 GIADMO CCc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1 ZINC000187510652 823077760 /nfs/dbraw/zinc/07/77/60/823077760.db2.gz GPJRPLFHRILINJ-MRXNPFEDSA-N 1 1 379.504 4.186 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@H+]1C ZINC000187510442 823077831 /nfs/dbraw/zinc/07/78/31/823077831.db2.gz LFRNEKBAALTCJV-MJGOQNOKSA-N 1 1 395.975 4.403 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCc2cc(F)ccc2F)C[C@H](C)O1 ZINC000056016714 823079259 /nfs/dbraw/zinc/07/92/59/823079259.db2.gz ZGLKDZCYJRYFEN-HOTGVXAUSA-N 1 1 388.458 4.145 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)ccc1OC(F)F ZINC000120867107 823079485 /nfs/dbraw/zinc/07/94/85/823079485.db2.gz FAYPXAAGIWFGFW-ZDUSSCGKSA-N 1 1 382.426 4.348 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc2c(cccc2F)s1 ZINC000056039302 823080922 /nfs/dbraw/zinc/08/09/22/823080922.db2.gz PCRUUSDGTGQONO-UHFFFAOYSA-N 1 1 384.476 4.167 20 0 GIADMO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000187533496 823083475 /nfs/dbraw/zinc/08/34/75/823083475.db2.gz NANDCYHCCCLRFK-HWPZZCPQSA-N 1 1 379.794 4.052 20 0 GIADMO COc1cc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(SC)cc1OC ZINC000570773715 823085328 /nfs/dbraw/zinc/08/53/28/823085328.db2.gz DRAVWWYJKAFBSB-GOSISDBHSA-N 1 1 384.545 4.063 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000056146060 823088061 /nfs/dbraw/zinc/08/80/61/823088061.db2.gz CINPVSIVSZMENR-JOCHJYFZSA-N 1 1 398.466 4.012 20 0 GIADMO Cc1nc(COC(C)(C)C)oc1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000570805250 823089506 /nfs/dbraw/zinc/08/95/06/823089506.db2.gz FNOOVLUMXFLPDQ-GOSISDBHSA-N 1 1 391.556 4.073 20 0 GIADMO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000056158275 823091868 /nfs/dbraw/zinc/09/18/68/823091868.db2.gz YICXBKTTXXHSPN-HSZRJFAPSA-N 1 1 393.531 4.269 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000458830341 823093813 /nfs/dbraw/zinc/09/38/13/823093813.db2.gz CHYNDJXBYRLLPX-YOKBYHGQSA-N 1 1 384.351 4.221 20 0 GIADMO Cc1ccc(SC[C@H](C)NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000187591802 823094031 /nfs/dbraw/zinc/09/40/31/823094031.db2.gz MMTAUOIPBQHMLH-SFHVURJKSA-N 1 1 383.561 4.212 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000458832734 823094351 /nfs/dbraw/zinc/09/43/51/823094351.db2.gz HRFYNXSYUYDDDH-HINSOXJESA-N 1 1 384.351 4.079 20 0 GIADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000458835198 823094974 /nfs/dbraw/zinc/09/49/74/823094974.db2.gz CPCWASOYDMMFFG-HKUYNNGSSA-N 1 1 397.485 4.096 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000458835141 823095021 /nfs/dbraw/zinc/09/50/21/823095021.db2.gz CIUUEPSDADMZIK-ROUUACIJSA-N 1 1 385.474 4.238 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000458842246 823096181 /nfs/dbraw/zinc/09/61/81/823096181.db2.gz WCLHQYYJXGJEQY-JKIFEVAISA-N 1 1 384.351 4.080 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000570856207 823096583 /nfs/dbraw/zinc/09/65/83/823096583.db2.gz ZXQVRVNQMWUWFX-WFXMFSGNSA-N 1 1 393.409 4.285 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc([C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000570856207 823096588 /nfs/dbraw/zinc/09/65/88/823096588.db2.gz ZXQVRVNQMWUWFX-WFXMFSGNSA-N 1 1 393.409 4.285 20 0 GIADMO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000570857440 823096719 /nfs/dbraw/zinc/09/67/19/823096719.db2.gz FPEZCESRGURYQB-AWEZNQCLSA-N 1 1 388.231 4.369 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1OC ZINC000056182184 823097574 /nfs/dbraw/zinc/09/75/74/823097574.db2.gz LFHCFADQQQXMPR-HTAPYJJXSA-N 1 1 382.504 4.108 20 0 GIADMO CC[NH+](CC)Cc1cccc(CN[C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000056184960 823098191 /nfs/dbraw/zinc/09/81/91/823098191.db2.gz VCCNBLWJXLQGKE-OAHLLOKOSA-N 1 1 391.918 4.438 20 0 GIADMO CCc1noc(C)c1C[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000570882083 823101494 /nfs/dbraw/zinc/10/14/94/823101494.db2.gz JWUGNUPLHJKASH-KRWDZBQOSA-N 1 1 390.833 4.167 20 0 GIADMO CCc1noc(C)c1C[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000570882083 823101498 /nfs/dbraw/zinc/10/14/98/823101498.db2.gz JWUGNUPLHJKASH-KRWDZBQOSA-N 1 1 390.833 4.167 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000570882781 823101543 /nfs/dbraw/zinc/10/15/43/823101543.db2.gz XYJANOBVUAZYNA-GOSISDBHSA-N 1 1 383.517 4.351 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000570882781 823101544 /nfs/dbraw/zinc/10/15/44/823101544.db2.gz XYJANOBVUAZYNA-GOSISDBHSA-N 1 1 383.517 4.351 20 0 GIADMO COc1cc(C[N@@H+](C)CCCn2ccnc2C)ccc1OCc1cccs1 ZINC000570885255 823102150 /nfs/dbraw/zinc/10/21/50/823102150.db2.gz ASPIGJJDXRPXCU-UHFFFAOYSA-N 1 1 385.533 4.363 20 0 GIADMO Cc1nc(COc2ccc(N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000121010204 823102250 /nfs/dbraw/zinc/10/22/50/823102250.db2.gz WGLORKKPPWDESL-OXQOHEQNSA-N 1 1 378.476 4.032 20 0 GIADMO CCCCCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000121018157 823103564 /nfs/dbraw/zinc/10/35/64/823103564.db2.gz GWTOVNLNXOSZRM-PKOBYXMFSA-N 1 1 376.541 4.067 20 0 GIADMO Cc1cc(CNC(=O)N[C@@H](C)c2c(F)cccc2Cl)cc(N2CCCC2)[nH+]1 ZINC000570893647 823103753 /nfs/dbraw/zinc/10/37/53/823103753.db2.gz SDWIXLWUPCOSAK-AWEZNQCLSA-N 1 1 390.890 4.343 20 0 GIADMO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2)C1 ZINC000176041057 823104048 /nfs/dbraw/zinc/10/40/48/823104048.db2.gz XGQHSWKKIQOOPI-LBPRGKRZSA-N 1 1 394.591 4.163 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2)C1 ZINC000176041057 823104051 /nfs/dbraw/zinc/10/40/51/823104051.db2.gz XGQHSWKKIQOOPI-LBPRGKRZSA-N 1 1 394.591 4.163 20 0 GIADMO Cc1noc(COc2ccc(N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc2)n1 ZINC000121024520 823104655 /nfs/dbraw/zinc/10/46/55/823104655.db2.gz SHMWFPJRZNWXKR-OXJNMPFZSA-N 1 1 378.476 4.032 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)c2ccccn2)CC1 ZINC000458928620 823107645 /nfs/dbraw/zinc/10/76/45/823107645.db2.gz XCQKNXMCPLENSX-IBGZPJMESA-N 1 1 386.584 4.045 20 0 GIADMO C[N@H+]1CC[C@@H](CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)C1 ZINC000187663868 823108780 /nfs/dbraw/zinc/10/87/80/823108780.db2.gz NDCGCZKKMSKMEK-CQSZACIVSA-N 1 1 388.924 4.284 20 0 GIADMO COc1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1OC(C)C ZINC000570973742 823113915 /nfs/dbraw/zinc/11/39/15/823113915.db2.gz CAKUECMQWGVUPF-QHCPKHFHSA-N 1 1 387.495 4.049 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)c(C)c1OC ZINC000570972619 823113947 /nfs/dbraw/zinc/11/39/47/823113947.db2.gz HNRPUMNULPRJIV-OAHLLOKOSA-N 1 1 397.441 4.144 20 0 GIADMO Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000176068962 823111719 /nfs/dbraw/zinc/11/17/19/823111719.db2.gz DSLPOEBFUWVLQH-SFHVURJKSA-N 1 1 379.504 4.447 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1(Cc2ccccc2F)CC1 ZINC000187693710 823114504 /nfs/dbraw/zinc/11/45/04/823114504.db2.gz RIVONIOUSJWTAE-QGZVFWFLSA-N 1 1 386.536 4.238 20 0 GIADMO Cc1nc2ccccn2c(=O)c1CC[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000570976062 823114513 /nfs/dbraw/zinc/11/45/13/823114513.db2.gz YZGWQZOQJYYRLN-INIZCTEOSA-N 1 1 381.907 4.424 20 0 GIADMO C[C@@H](C[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1)CN1CCN(C)CC1 ZINC000121080007 823114606 /nfs/dbraw/zinc/11/46/06/823114606.db2.gz IAPTXXOYACFKJD-OALUTQOASA-N 1 1 375.626 4.255 20 0 GIADMO CCN(C(=O)NC[C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459036615 823119283 /nfs/dbraw/zinc/11/92/83/823119283.db2.gz ZXFZEOXALHSCKV-TUNNFDKTSA-N 1 1 399.579 4.203 20 0 GIADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000121082290 823115237 /nfs/dbraw/zinc/11/52/37/823115237.db2.gz DMFZMFHDYJSHRY-KUHUBIRLSA-N 1 1 389.952 4.274 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000570985107 823115712 /nfs/dbraw/zinc/11/57/12/823115712.db2.gz UZUJAECQRPOTCB-GCJKJVERSA-N 1 1 377.488 4.189 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2nn(CCC(C)C)c3ccccc23)C[C@@H]1C ZINC000459014172 823116802 /nfs/dbraw/zinc/11/68/02/823116802.db2.gz UYTZQFFFYOUFQD-OALUTQOASA-N 1 1 399.583 4.097 20 0 GIADMO COC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000570999135 823117669 /nfs/dbraw/zinc/11/76/69/823117669.db2.gz JZVSCTCHGKUISS-OAHLLOKOSA-N 1 1 398.434 4.012 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459025181 823118334 /nfs/dbraw/zinc/11/83/34/823118334.db2.gz VIRMFLXVLGNKAD-KFKAGJAMSA-N 1 1 379.907 4.056 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459025179 823118386 /nfs/dbraw/zinc/11/83/86/823118386.db2.gz VIRMFLXVLGNKAD-IPELMVKDSA-N 1 1 379.907 4.056 20 0 GIADMO CCCn1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1C ZINC000571005746 823118855 /nfs/dbraw/zinc/11/88/55/823118855.db2.gz CQRFVMKNTIMRGO-JOCHJYFZSA-N 1 1 396.579 4.013 20 0 GIADMO Cc1ccccc1OCc1noc([C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000571020847 823120951 /nfs/dbraw/zinc/12/09/51/823120951.db2.gz RAXLVTMNXYLHPX-ZIAGYGMSSA-N 1 1 383.414 4.333 20 0 GIADMO COc1ccc(SCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176103106 823121435 /nfs/dbraw/zinc/12/14/35/823121435.db2.gz RGUAHUKSPLEDNJ-ICSRJNTNSA-N 1 1 398.572 4.347 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cn(-c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC000571023325 823121618 /nfs/dbraw/zinc/12/16/18/823121618.db2.gz YKFUNYIVMODNBX-UHFFFAOYSA-N 1 1 395.334 4.126 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2cc(-c3cccs3)on2)CC[N@H+]1Cc1ccccc1 ZINC000176103246 823121625 /nfs/dbraw/zinc/12/16/25/823121625.db2.gz XXAPZOLOKVHQBK-DOTOQJQBSA-N 1 1 381.501 4.186 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2ccccc2Br)CC[N@H+]1Cc1ccccc1 ZINC000176103168 823121741 /nfs/dbraw/zinc/12/17/41/823121741.db2.gz ITMZLESLTAZUCP-WBVHZDCISA-N 1 1 387.321 4.232 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000176115627 823125040 /nfs/dbraw/zinc/12/50/40/823125040.db2.gz PJNRPRMTSCSKAY-GGPKGHCWSA-N 1 1 398.572 4.345 20 0 GIADMO CCC(C)(CC)NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000121144687 823126833 /nfs/dbraw/zinc/12/68/33/823126833.db2.gz UTZPBSVZJNSINX-UHFFFAOYSA-N 1 1 384.524 4.184 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H](C)Cc1ccsc1 ZINC000187775422 823130299 /nfs/dbraw/zinc/13/02/99/823130299.db2.gz RVPNKUPUMNAAKA-CYBMUJFWSA-N 1 1 396.940 4.310 20 0 GIADMO COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)c4[nH+]ccn4c3)s2)cc1 ZINC000571074684 823128426 /nfs/dbraw/zinc/12/84/26/823128426.db2.gz IDOJWLJQAAXPTC-UHFFFAOYSA-N 1 1 378.457 4.336 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000459107221 823128641 /nfs/dbraw/zinc/12/86/41/823128641.db2.gz XNSVIFBGUVWJLS-LQJIQPLVSA-N 1 1 377.960 4.348 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000571091009 823130854 /nfs/dbraw/zinc/13/08/54/823130854.db2.gz MMSWFGBLGHMNJY-VJBWXMMDSA-N 1 1 389.499 4.090 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cccnc1C(F)(F)F)c1ccccc1Cl ZINC000571121272 823135415 /nfs/dbraw/zinc/13/54/15/823135415.db2.gz JITXWDFYJVAXSO-CQSZACIVSA-N 1 1 386.805 4.178 20 0 GIADMO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)c1cccc(F)c1 ZINC000176134139 823131922 /nfs/dbraw/zinc/13/19/22/823131922.db2.gz OVVNSMMVTLRJJC-JBYIUTFZSA-N 1 1 396.506 4.204 20 0 GIADMO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000571099575 823132120 /nfs/dbraw/zinc/13/21/20/823132120.db2.gz NIFJKLXXWRCNMT-MQNAVGNWSA-N 1 1 383.580 4.192 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(F)cc3OC3CCCC3)CC[C@@H]21 ZINC000121179235 823133234 /nfs/dbraw/zinc/13/32/34/823133234.db2.gz HUPWVWMIJVMIKS-KXBFYZLASA-N 1 1 375.488 4.095 20 0 GIADMO CC[N@H+](CCc1nccs1)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000121181610 823133422 /nfs/dbraw/zinc/13/34/22/823133422.db2.gz QJGXFRCITGCPTP-NRFANRHFSA-N 1 1 395.528 4.396 20 0 GIADMO CC[N@@H+](CCc1nccs1)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000121181610 823133424 /nfs/dbraw/zinc/13/34/24/823133424.db2.gz QJGXFRCITGCPTP-NRFANRHFSA-N 1 1 395.528 4.396 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000459140379 823134005 /nfs/dbraw/zinc/13/40/05/823134005.db2.gz NIUWLXYWIUMHQL-LQJIQPLVSA-N 1 1 377.960 4.348 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)c2)cc1 ZINC000176143845 823134644 /nfs/dbraw/zinc/13/46/44/823134644.db2.gz CQIJKYAACJMLCM-LJQANCHMSA-N 1 1 399.516 4.119 20 0 GIADMO C[N@@H+](CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1F)C1CC1 ZINC000459165339 823137082 /nfs/dbraw/zinc/13/70/82/823137082.db2.gz SHYCKOJPYLKRJF-UHFFFAOYSA-N 1 1 383.511 4.412 20 0 GIADMO CCN(C(=O)N[C@@H](C)c1cncc(F)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459171699 823137806 /nfs/dbraw/zinc/13/78/06/823137806.db2.gz MGQABLCTYADCCY-FIKGOQFSSA-N 1 1 384.499 4.149 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)c2cncc(F)c2)CC1)CC(C)C ZINC000459171671 823137816 /nfs/dbraw/zinc/13/78/16/823137816.db2.gz MBMABNJVZHNEKB-KRWDZBQOSA-N 1 1 378.536 4.071 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC(c4ccsc4)CC3)cc2)C[C@H](C)O1 ZINC000187808159 823138058 /nfs/dbraw/zinc/13/80/58/823138058.db2.gz YZKKLKCDYMWGBI-ROUUACIJSA-N 1 1 398.572 4.377 20 0 GIADMO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCC1(F)F ZINC000571132629 823138338 /nfs/dbraw/zinc/13/83/38/823138338.db2.gz DGMRYUCNMSNHHQ-SJORKVTESA-N 1 1 379.495 4.248 20 0 GIADMO CC(=O)c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000121214382 823140079 /nfs/dbraw/zinc/14/00/79/823140079.db2.gz NGZNIARIGYYGCX-VGOFRKELSA-N 1 1 379.504 4.406 20 0 GIADMO Cc1cc(NC(=O)N2CC(C)(C)C[C@H]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000571148544 823140938 /nfs/dbraw/zinc/14/09/38/823140938.db2.gz LJXBBZLQZGFTDM-QUCCMNQESA-N 1 1 395.551 4.291 20 0 GIADMO Cc1cc(NC(=O)N2CC(C)(C)C[C@@H]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000571148543 823140974 /nfs/dbraw/zinc/14/09/74/823140974.db2.gz LJXBBZLQZGFTDM-ICSRJNTNSA-N 1 1 395.551 4.291 20 0 GIADMO COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)cc2)c1 ZINC000571170483 823143554 /nfs/dbraw/zinc/14/35/54/823143554.db2.gz DBVQROSQNWUBAT-MRXNPFEDSA-N 1 1 377.444 4.194 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1OCC(F)(F)F ZINC000121243800 823146411 /nfs/dbraw/zinc/14/64/11/823146411.db2.gz DAVIBEUNCQYEET-OAHLLOKOSA-N 1 1 383.414 4.129 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1COc2ccccc21 ZINC000571197358 823147177 /nfs/dbraw/zinc/14/71/77/823147177.db2.gz WPXMANAIEKDBIM-NQIIRXRSSA-N 1 1 393.531 4.036 20 0 GIADMO COc1ccc([C@H]([NH2+]CC(=O)N[C@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000121253748 823148459 /nfs/dbraw/zinc/14/84/59/823148459.db2.gz BGQCPQCWLKDQBI-IVZQSRNASA-N 1 1 398.503 4.452 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCc4[nH]cnc4C2)CCC3)cc1 ZINC000571211742 823149429 /nfs/dbraw/zinc/14/94/29/823149429.db2.gz CYPVHGLSGSPISJ-YOEHRIQHSA-N 1 1 380.517 4.066 20 0 GIADMO CCCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000056443058 823150069 /nfs/dbraw/zinc/15/00/69/823150069.db2.gz CYVODGIQDFFLIK-FQEVSTJZSA-N 1 1 399.579 4.428 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccccc2COCc2ccccc2)C1 ZINC000459265114 823153781 /nfs/dbraw/zinc/15/37/81/823153781.db2.gz NUQOUHRPCNQBLT-IBGZPJMESA-N 1 1 381.520 4.257 20 0 GIADMO CC(C)C[N@H+](Cc1cnc2c(cnn2C(C)C)c1)C[C@H](O)c1ccc(F)cc1 ZINC000121280470 823153957 /nfs/dbraw/zinc/15/39/57/823153957.db2.gz CKAOWKPGEGLQBO-NRFANRHFSA-N 1 1 384.499 4.343 20 0 GIADMO CN(Cc1ccco1)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056458930 823154337 /nfs/dbraw/zinc/15/43/37/823154337.db2.gz ZMUPCNBRADRIIO-UHFFFAOYSA-N 1 1 395.425 4.104 20 0 GIADMO CCOc1ccccc1[C@H](CC)NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000176222758 823156481 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CCOc1cc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc(Cl)c1O ZINC000459284836 823156149 /nfs/dbraw/zinc/15/61/49/823156149.db2.gz ULARGFSJCQNVCT-CQSZACIVSA-N 1 1 386.883 4.218 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 ZINC000571258852 823157045 /nfs/dbraw/zinc/15/70/45/823157045.db2.gz YPWUNXHKYKAPPL-YTFSRNRJSA-N 1 1 391.515 4.242 20 0 GIADMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1NC(=O)c1cccs1 ZINC000571264978 823157972 /nfs/dbraw/zinc/15/79/72/823157972.db2.gz CQWHSZXYFMWPJX-SFHVURJKSA-N 1 1 397.544 4.056 20 0 GIADMO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)CC1 ZINC000056495009 823159176 /nfs/dbraw/zinc/15/91/76/823159176.db2.gz ZYIZUMLMZROKCF-UHFFFAOYSA-N 1 1 397.332 4.059 20 0 GIADMO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1CCC(F)(F)CC1 ZINC000459307726 823159724 /nfs/dbraw/zinc/15/97/24/823159724.db2.gz JKUVLZHLZHBQAD-UHFFFAOYSA-N 1 1 395.450 4.000 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC2(CCC2)[C@H]2COC[C@H]21)C1CCCCC1 ZINC000459314187 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1 1 398.469 4.315 20 0 GIADMO C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000187954759 823163356 /nfs/dbraw/zinc/16/33/56/823163356.db2.gz UPKKRJAIGHGQFT-MGPLVRAMSA-N 1 1 379.715 4.068 20 0 GIADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459335293 823163623 /nfs/dbraw/zinc/16/36/23/823163623.db2.gz GIYZORASHARSGL-FQEVSTJZSA-N 1 1 393.579 4.224 20 0 GIADMO COc1ccc2[nH]c(C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2c1 ZINC000571339839 823167609 /nfs/dbraw/zinc/16/76/09/823167609.db2.gz DUUUOZQGDVIPMU-IBGZPJMESA-N 1 1 391.515 4.209 20 0 GIADMO CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000571340543 823168021 /nfs/dbraw/zinc/16/80/21/823168021.db2.gz CEBXRVMKOSSSPZ-MRXNPFEDSA-N 1 1 378.944 4.209 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc(Br)c1O ZINC000459351076 823168521 /nfs/dbraw/zinc/16/85/21/823168521.db2.gz OKVBFDYWUHQZST-GFCCVEGCSA-N 1 1 380.282 4.452 20 0 GIADMO O=C(c1ncoc1C1CC1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000571349351 823169211 /nfs/dbraw/zinc/16/92/11/823169211.db2.gz LSTCPKKUVQCJDO-UHFFFAOYSA-N 1 1 379.504 4.213 20 0 GIADMO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1OCc1cccnc1 ZINC000121355189 823169495 /nfs/dbraw/zinc/16/94/95/823169495.db2.gz RXMGQFQQAFNZNH-UHFFFAOYSA-N 1 1 384.483 4.478 20 0 GIADMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1OCc1cccnc1 ZINC000121355189 823169499 /nfs/dbraw/zinc/16/94/99/823169499.db2.gz RXMGQFQQAFNZNH-UHFFFAOYSA-N 1 1 384.483 4.478 20 0 GIADMO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)ccc1O ZINC000459354644 823169541 /nfs/dbraw/zinc/16/95/41/823169541.db2.gz JHLOPIDOIIXQLD-DLBZAZTESA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)ccc1O ZINC000459354644 823169546 /nfs/dbraw/zinc/16/95/46/823169546.db2.gz JHLOPIDOIIXQLD-DLBZAZTESA-N 1 1 381.394 4.118 20 0 GIADMO Clc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000459359435 823171088 /nfs/dbraw/zinc/17/10/88/823171088.db2.gz BUKXLLVQHSYXHI-CYBMUJFWSA-N 1 1 395.732 4.409 20 0 GIADMO Clc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000459359435 823171090 /nfs/dbraw/zinc/17/10/90/823171090.db2.gz BUKXLLVQHSYXHI-CYBMUJFWSA-N 1 1 395.732 4.409 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc3occ(C)c3c2)CC1 ZINC000188015744 823172229 /nfs/dbraw/zinc/17/22/29/823172229.db2.gz VHYTVSMQXSOHTH-UHFFFAOYSA-N 1 1 387.524 4.344 20 0 GIADMO O=C(N[C@@H](c1ccco1)c1ccccc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056576776 823173334 /nfs/dbraw/zinc/17/33/34/823173334.db2.gz RDMOXWACVYZGLU-OAQYLSRUSA-N 1 1 395.528 4.000 20 0 GIADMO CC(C)n1ncc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000121377242 823173511 /nfs/dbraw/zinc/17/35/11/823173511.db2.gz QXLMOJKFWFWTBV-FQEVSTJZSA-N 1 1 380.536 4.078 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNc1cc(C[NH+]2CCOCC2)ccc1C ZINC000459367487 823174085 /nfs/dbraw/zinc/17/40/85/823174085.db2.gz WNZXBBIBUVLHRO-UHFFFAOYSA-N 1 1 396.560 4.334 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459368336 823174217 /nfs/dbraw/zinc/17/42/17/823174217.db2.gz ZOEBPXZOERXOLW-CTNGQTDRSA-N 1 1 379.552 4.119 20 0 GIADMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459368336 823174221 /nfs/dbraw/zinc/17/42/21/823174221.db2.gz ZOEBPXZOERXOLW-CTNGQTDRSA-N 1 1 379.552 4.119 20 0 GIADMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459368336 823174226 /nfs/dbraw/zinc/17/42/26/823174226.db2.gz ZOEBPXZOERXOLW-CTNGQTDRSA-N 1 1 379.552 4.119 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)c2ccc(F)cc2)cc1 ZINC000459378513 823177591 /nfs/dbraw/zinc/17/75/91/823177591.db2.gz OOZNQRWBPDABTC-NRFANRHFSA-N 1 1 379.435 4.087 20 0 GIADMO CC(C)(CNCc1cn(C2CCCC2)nc1-c1ccccn1)[NH+]1CCCCC1 ZINC000459373215 823175359 /nfs/dbraw/zinc/17/53/59/823175359.db2.gz RPJBGSRVQVWNIV-UHFFFAOYSA-N 1 1 381.568 4.414 20 0 GIADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000056598702 823177754 /nfs/dbraw/zinc/17/77/54/823177754.db2.gz MDJYVTZRJSOCKT-IXDOHACOSA-N 1 1 398.507 4.020 20 0 GIADMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc(COc3ccccc3)c1C)CC2 ZINC000571408978 823178826 /nfs/dbraw/zinc/17/88/26/823178826.db2.gz FEKQSPWUUSTREC-SFHVURJKSA-N 1 1 375.472 4.280 20 0 GIADMO CCCOc1ccccc1Oc1ncccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000459383138 823178901 /nfs/dbraw/zinc/17/89/01/823178901.db2.gz FJWIRXFAHSMRIZ-UHFFFAOYSA-N 1 1 381.520 4.379 20 0 GIADMO CCOc1ccc(Oc2cc(C[NH2+]Cc3cnc(C4CC4)nc3)ccn2)cc1 ZINC000459389026 823180617 /nfs/dbraw/zinc/18/06/17/823180617.db2.gz LHDKSGCIHLFQBY-UHFFFAOYSA-N 1 1 376.460 4.230 20 0 GIADMO C[C@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[NH+]1CCC(C)CC1 ZINC000459389411 823180907 /nfs/dbraw/zinc/18/09/07/823180907.db2.gz NNFLIVIDIBNGKN-LJQANCHMSA-N 1 1 381.568 4.270 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000176320803 823181206 /nfs/dbraw/zinc/18/12/06/823181206.db2.gz DLWVWGXOLGOGBY-HSZRJFAPSA-N 1 1 390.531 4.297 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1c(Cl)cccc1Cl ZINC000571429328 823181681 /nfs/dbraw/zinc/18/16/81/823181681.db2.gz NUYJTDKQQAKLGW-UHFFFAOYSA-N 1 1 384.307 4.250 20 0 GIADMO Cc1cc(F)c(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(Cl)c1 ZINC000459396653 823182601 /nfs/dbraw/zinc/18/26/01/823182601.db2.gz QUXZGNCINSTTTE-IBGZPJMESA-N 1 1 376.859 4.195 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCSc1ccccc1Br ZINC000461260521 823607082 /nfs/dbraw/zinc/60/70/82/823607082.db2.gz BJFRTCKWGBTXAZ-OAHLLOKOSA-N 1 1 399.398 4.264 20 0 GIADMO COc1cc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)ccc1OC(F)F ZINC000571448413 823184292 /nfs/dbraw/zinc/18/42/92/823184292.db2.gz GCQWQEVTDFEKJS-CVEARBPZSA-N 1 1 379.447 4.283 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2Cc3ccc(Cl)cc3C2)cc1)[NH+]1CCOCC1 ZINC000459401474 823184505 /nfs/dbraw/zinc/18/45/05/823184505.db2.gz DCSVEYNJRYFLLL-OAHLLOKOSA-N 1 1 385.895 4.281 20 0 GIADMO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)N(C)C)cc1 ZINC000571479936 823189047 /nfs/dbraw/zinc/18/90/47/823189047.db2.gz ZYKNXSMYVINAIY-OAHLLOKOSA-N 1 1 387.471 4.342 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccccc2OC2CCCC2)cn1 ZINC000056630481 823186047 /nfs/dbraw/zinc/18/60/47/823186047.db2.gz GISALFGZBLVOEM-UHFFFAOYSA-N 1 1 391.475 4.219 20 0 GIADMO CN(C)C(=O)CCCNc1cc(C2CC2)[nH+]c2c(Br)cccc12 ZINC000571458946 823186089 /nfs/dbraw/zinc/18/60/89/823186089.db2.gz HUZKBMKHWBQSTD-UHFFFAOYSA-N 1 1 376.298 4.155 20 0 GIADMO CCO[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccccc1 ZINC000121446278 823186154 /nfs/dbraw/zinc/18/61/54/823186154.db2.gz UJNVJYJZSXGADH-HMFYCAOWSA-N 1 1 382.504 4.012 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000121447810 823186322 /nfs/dbraw/zinc/18/63/22/823186322.db2.gz JPCDLECMMZATJL-ZOBUZTSGSA-N 1 1 386.467 4.048 20 0 GIADMO CC(C)n1cnnc1-c1ccccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000176339594 823186764 /nfs/dbraw/zinc/18/67/64/823186764.db2.gz HGRUXVYHGBMKSO-QGZVFWFLSA-N 1 1 398.555 4.158 20 0 GIADMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c(C(C)C)nc3sc(C)nn13)CCC2 ZINC000571469229 823187488 /nfs/dbraw/zinc/18/74/88/823187488.db2.gz JTLAJCHRBZRSKD-AWEZNQCLSA-N 1 1 375.567 4.497 20 0 GIADMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c(C(C)C)nc3sc(C)nn13)CCC2 ZINC000571469229 823187491 /nfs/dbraw/zinc/18/74/91/823187491.db2.gz JTLAJCHRBZRSKD-AWEZNQCLSA-N 1 1 375.567 4.497 20 0 GIADMO Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188119460 823189417 /nfs/dbraw/zinc/18/94/17/823189417.db2.gz HLXFKWXFINTOCI-DNVCBOLYSA-N 1 1 383.561 4.187 20 0 GIADMO CN(CC1(c2ccccc2)CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000188149295 823194055 /nfs/dbraw/zinc/19/40/55/823194055.db2.gz AABXXVGQDKBKHP-IBGZPJMESA-N 1 1 397.588 4.333 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC000121496092 823194783 /nfs/dbraw/zinc/19/47/83/823194783.db2.gz GENNZFZAUJSEAF-KRWDZBQOSA-N 1 1 394.544 4.015 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000459452342 823194892 /nfs/dbraw/zinc/19/48/92/823194892.db2.gz 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CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(C)cc(Cl)c2)CC1 ZINC000571544556 823198154 /nfs/dbraw/zinc/19/81/54/823198154.db2.gz CUVRVKHFVWHICT-UHFFFAOYSA-N 1 1 377.941 4.118 20 0 GIADMO CCc1ccc2c(C[N@@H+]3CC[C@H](CN(CC)CC(F)(F)F)C3)cc(=O)oc2c1 ZINC000176398118 823199415 /nfs/dbraw/zinc/19/94/15/823199415.db2.gz INZZMIIVFACYDP-MRXNPFEDSA-N 1 1 396.453 4.062 20 0 GIADMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)sc2C1 ZINC000571558887 823200030 /nfs/dbraw/zinc/20/00/30/823200030.db2.gz FZRLPXSXRHNFIV-ZIAGYGMSSA-N 1 1 375.925 4.305 20 0 GIADMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)sc2C1 ZINC000571558887 823200035 /nfs/dbraw/zinc/20/00/35/823200035.db2.gz FZRLPXSXRHNFIV-ZIAGYGMSSA-N 1 1 375.925 4.305 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cncc4ccccc43)c2)C[C@@H](C)O1 ZINC000121527100 823200220 /nfs/dbraw/zinc/20/02/20/823200220.db2.gz BWWMNUDRVDYWQY-IAGOWNOFSA-N 1 1 375.472 4.096 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccsc2)cc1 ZINC000188189389 823200724 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396.556 4.270 20 0 GIADMO c1c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459497816 823204800 /nfs/dbraw/zinc/20/48/00/823204800.db2.gz JZOLKSMTMHBJQH-OAQYLSRUSA-N 1 1 380.536 4.451 20 0 GIADMO CCOc1cc(CNc2ccc(C[NH+](C)C)c(Br)c2)ccc1O ZINC000459500489 823205396 /nfs/dbraw/zinc/20/53/96/823205396.db2.gz CBOFTZISMUVPMG-UHFFFAOYSA-N 1 1 379.298 4.227 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)C2(c3cccnc3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000571598403 823205534 /nfs/dbraw/zinc/20/55/34/823205534.db2.gz VEKDMZWCJAZWBB-KNQAVFIVSA-N 1 1 377.532 4.063 20 0 GIADMO Cc1cc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(C(C)C)cc2)n(C)n1 ZINC000121559599 823205739 /nfs/dbraw/zinc/20/57/39/823205739.db2.gz SPVZEEBZYPIHEX-OAQYLSRUSA-N 1 1 382.533 4.231 20 0 GIADMO c1csc(-c2cccc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2)n1 ZINC000571604277 823207029 /nfs/dbraw/zinc/20/70/29/823207029.db2.gz JMDOCHBVXBEZMC-NRFANRHFSA-N 1 1 380.513 4.480 20 0 GIADMO CC(C)Oc1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1Cl ZINC000188234545 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C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCc1ccncc1 ZINC000121587639 823211667 /nfs/dbraw/zinc/21/16/67/823211667.db2.gz JBQYJGBWRHYPNR-CYBMUJFWSA-N 1 1 376.382 4.386 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000056785893 823213074 /nfs/dbraw/zinc/21/30/74/823213074.db2.gz GIYOGADEZWAFPF-DLBZAZTESA-N 1 1 375.538 4.173 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000056785896 823213108 /nfs/dbraw/zinc/21/31/08/823213108.db2.gz PGSAFMFTPZKETH-JFIYKMOQSA-N 1 1 386.565 4.263 20 0 GIADMO CCOc1cc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc(Cl)c1O ZINC000459532774 823213236 /nfs/dbraw/zinc/21/32/36/823213236.db2.gz NXVYZRJJTCYKIE-UHFFFAOYSA-N 1 1 393.886 4.153 20 0 GIADMO CC1(C)C[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c2cc(N)ccc2O1 ZINC000571679861 823217923 /nfs/dbraw/zinc/21/79/23/823217923.db2.gz XKFFOHHVDMYQCE-LEWJYISDSA-N 1 1 393.531 4.042 20 0 GIADMO CCOc1cc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc(Br)c1O ZINC000459533780 823213716 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GIADMO CSc1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571663267 823215830 /nfs/dbraw/zinc/21/58/30/823215830.db2.gz LUJAKDQBAHSWKP-HSZRJFAPSA-N 1 1 395.572 4.216 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000571663471 823216147 /nfs/dbraw/zinc/21/61/47/823216147.db2.gz WTJOMVNXZXCZOZ-QAPCUYQASA-N 1 1 393.890 4.092 20 0 GIADMO COc1ccccc1-c1ncc(C[NH+]2CC(Cc3ccccc3Cl)C2)cn1 ZINC000459555395 823219486 /nfs/dbraw/zinc/21/94/86/823219486.db2.gz CEFSZNANUWLMMW-UHFFFAOYSA-N 1 1 379.891 4.480 20 0 GIADMO CCOc1cc(C[NH+]2CCC(c3ccncc3)CC2)cc(Br)c1O ZINC000459555492 823219626 /nfs/dbraw/zinc/21/96/26/823219626.db2.gz GALHMYCOOZVMLL-UHFFFAOYSA-N 1 1 391.309 4.328 20 0 GIADMO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000459571561 823222986 /nfs/dbraw/zinc/22/29/86/823222986.db2.gz GOYZUILOPMEITR-UHFFFAOYSA-N 1 1 379.932 4.126 20 0 GIADMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000459571561 823222991 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383.275 4.300 20 0 GIADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000017309744 818506938 /nfs/dbraw/zinc/50/69/38/818506938.db2.gz SHQUBFTYVSLQAR-UHFFFAOYSA-N 1 1 387.842 4.051 20 0 GIADMO Fc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)CC3CCOCC3)no2)c(F)c1 ZINC000189022253 823343345 /nfs/dbraw/zinc/34/33/45/823343345.db2.gz HGLMRRXHEGBUMG-UHFFFAOYSA-N 1 1 399.441 4.444 20 0 GIADMO Fc1ccc(-c2nc(C[N@H+](Cc3ccccc3)CC3CCOCC3)no2)c(F)c1 ZINC000189022253 823343347 /nfs/dbraw/zinc/34/33/47/823343347.db2.gz HGLMRRXHEGBUMG-UHFFFAOYSA-N 1 1 399.441 4.444 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)C2)cc1 ZINC000572451337 823342523 /nfs/dbraw/zinc/34/25/23/823342523.db2.gz OFMXQOVUBPTNEC-QAPCUYQASA-N 1 1 387.549 4.050 20 0 GIADMO Cc1c(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cnn1CCC(C)C ZINC000122359325 823343550 /nfs/dbraw/zinc/34/35/50/823343550.db2.gz YGQAMJFENWYZBM-QZTJIDSGSA-N 1 1 398.551 4.099 20 0 GIADMO CCCc1occc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000409916179 823343650 /nfs/dbraw/zinc/34/36/50/823343650.db2.gz QBAHBKFUQXAULE-AZUAARDMSA-N 1 1 376.447 4.464 20 0 GIADMO CCCc1occc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000409916179 823343657 /nfs/dbraw/zinc/34/36/57/823343657.db2.gz QBAHBKFUQXAULE-AZUAARDMSA-N 1 1 376.447 4.464 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000018180082 818554820 /nfs/dbraw/zinc/55/48/20/818554820.db2.gz COUSFUGHNSJITA-INIZCTEOSA-N 1 1 382.291 4.426 20 0 GIADMO C[NH+]1CCN(Cc2ccc(NCc3cnc(-c4ccccc4F)s3)cc2)CC1 ZINC000572470680 823345658 /nfs/dbraw/zinc/34/56/58/823345658.db2.gz UBLMMQAHHPNDRZ-UHFFFAOYSA-N 1 1 396.535 4.309 20 0 GIADMO C[C@]12CC3CC(C(=O)NCc4ccc(C[NH+]5CCOCC5)cc4)(C1)C[C@@](C)(C3)C2 ZINC000018217254 818557972 /nfs/dbraw/zinc/55/79/72/818557972.db2.gz CQDDQTLUCKBYEF-AABVNVKOSA-N 1 1 396.575 4.132 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000176998998 823346262 /nfs/dbraw/zinc/34/62/62/823346262.db2.gz NLBAERYHUHQATR-OAQYLSRUSA-N 1 1 389.474 4.384 20 0 GIADMO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000572479834 823347200 /nfs/dbraw/zinc/34/72/00/823347200.db2.gz MHYCOTMVIAOGFQ-YLJYHZDGSA-N 1 1 399.560 4.200 20 0 GIADMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000572479834 823347211 /nfs/dbraw/zinc/34/72/11/823347211.db2.gz MHYCOTMVIAOGFQ-YLJYHZDGSA-N 1 1 399.560 4.200 20 0 GIADMO CO[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000460312667 823349593 /nfs/dbraw/zinc/34/95/93/823349593.db2.gz NZNVMBVWZYVWAP-PZJWPPBQSA-N 1 1 386.923 4.056 20 0 GIADMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1cccc2nsnc21 ZINC000019096702 818585277 /nfs/dbraw/zinc/58/52/77/818585277.db2.gz MSYGPPFTQCMKGV-SFHVURJKSA-N 1 1 398.488 4.210 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000177016257 823349726 /nfs/dbraw/zinc/34/97/26/823349726.db2.gz YNICJGSFOOYCRR-QUCCMNQESA-N 1 1 389.503 4.047 20 0 GIADMO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000057949182 823349818 /nfs/dbraw/zinc/34/98/18/823349818.db2.gz CRQIRQUVJVMMMR-NRFANRHFSA-N 1 1 382.548 4.282 20 0 GIADMO Cc1ccc(C[N@@H+](CCC(=O)Nc2cc(N)ccc2F)Cc2ccco2)s1 ZINC000177024067 823352057 /nfs/dbraw/zinc/35/20/57/823352057.db2.gz BQRWQJAWJBXKML-UHFFFAOYSA-N 1 1 387.480 4.402 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000572520885 823352989 /nfs/dbraw/zinc/35/29/89/823352989.db2.gz RMTCGYYIFDKJRK-LJQANCHMSA-N 1 1 383.385 4.151 20 0 GIADMO COCCCOc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522021 823353637 /nfs/dbraw/zinc/35/36/37/823353637.db2.gz ZMPBNXXQSKTZND-HSZRJFAPSA-N 1 1 394.559 4.389 20 0 GIADMO COCCCOc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572522021 823353641 /nfs/dbraw/zinc/35/36/41/823353641.db2.gz ZMPBNXXQSKTZND-HSZRJFAPSA-N 1 1 394.559 4.389 20 0 GIADMO C[C@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000460323612 823353725 /nfs/dbraw/zinc/35/37/25/823353725.db2.gz HVIKSTKJQSMAAA-PZJWPPBQSA-N 1 1 377.532 4.018 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000057993515 823353739 /nfs/dbraw/zinc/35/37/39/823353739.db2.gz WRNRKMLGDSOCFW-OAQYLSRUSA-N 1 1 398.457 4.143 20 0 GIADMO CCCc1noc2nc(CC)cc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC000409959898 823354179 /nfs/dbraw/zinc/35/41/79/823354179.db2.gz MPIUTDXLLKRDIH-HZPDHXFCSA-N 1 1 398.551 4.121 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000021309976 818673986 /nfs/dbraw/zinc/67/39/86/818673986.db2.gz MZQFYJSYFUBWGW-KRWDZBQOSA-N 1 1 387.549 4.099 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000177019576 823350609 /nfs/dbraw/zinc/35/06/09/823350609.db2.gz NFTQRPSXYPWJAJ-DYESRHJHSA-N 1 1 394.519 4.128 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(-c3ccccc3)nn2C(C)C)C1 ZINC000177034166 823355677 /nfs/dbraw/zinc/35/56/77/823355677.db2.gz CYZDHYSEJXSGIN-GOSISDBHSA-N 1 1 383.540 4.327 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000021556795 818703913 /nfs/dbraw/zinc/70/39/13/818703913.db2.gz FUEBVAJPJUTEAW-FQEVSTJZSA-N 1 1 396.922 4.175 20 0 GIADMO CC(C)c1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(C(C)C)c1 ZINC000058052535 823357406 /nfs/dbraw/zinc/35/74/06/823357406.db2.gz WZNPHYSHUMGFSY-OAQYLSRUSA-N 1 1 375.557 4.412 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)C1 ZINC000572544061 823357872 /nfs/dbraw/zinc/35/78/72/823357872.db2.gz NPUVMQWHIGBGSX-HXUWFJFHSA-N 1 1 375.516 4.150 20 0 GIADMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccc(Br)cc1 ZINC000021671531 818723253 /nfs/dbraw/zinc/72/32/53/818723253.db2.gz UVEHPXWLPYZWFF-LLVKDONJSA-N 1 1 383.236 4.186 20 0 GIADMO C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000021671531 818723258 /nfs/dbraw/zinc/72/32/58/818723258.db2.gz UVEHPXWLPYZWFF-LLVKDONJSA-N 1 1 383.236 4.186 20 0 GIADMO CCCOc1ccc(Br)cc1C[NH2+]Cc1cccc2c1OCO2 ZINC000058065440 823358865 /nfs/dbraw/zinc/35/88/65/823358865.db2.gz ANMSUDLFLIYHEI-UHFFFAOYSA-N 1 1 378.266 4.256 20 0 GIADMO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)ccc1Br ZINC000460347128 823360374 /nfs/dbraw/zinc/36/03/74/823360374.db2.gz IMOTWEFYMLNJBY-UGSOOPFHSA-N 1 1 388.309 4.174 20 0 GIADMO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)ccc1Br ZINC000460347128 823360381 /nfs/dbraw/zinc/36/03/81/823360381.db2.gz IMOTWEFYMLNJBY-UGSOOPFHSA-N 1 1 388.309 4.174 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000572557429 823360461 /nfs/dbraw/zinc/36/04/61/823360461.db2.gz XALGBWFBGCECLQ-CVEARBPZSA-N 1 1 375.463 4.188 20 0 GIADMO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c(Br)c1OC ZINC000460348790 823360603 /nfs/dbraw/zinc/36/06/03/823360603.db2.gz GIWLVOYDLNCYAU-XJKSGUPXSA-N 1 1 391.309 4.444 20 0 GIADMO COc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c(Br)c1OC ZINC000460348790 823360611 /nfs/dbraw/zinc/36/06/11/823360611.db2.gz GIWLVOYDLNCYAU-XJKSGUPXSA-N 1 1 391.309 4.444 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177065891 823363182 /nfs/dbraw/zinc/36/31/82/823363182.db2.gz UQWZYTFEJUHKRJ-QWXGXRTQSA-N 1 1 390.574 4.391 20 0 GIADMO O=C(CC[NH+]1CCN(Cc2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000022197581 818782208 /nfs/dbraw/zinc/78/22/08/818782208.db2.gz KCBDVZQEZSQQSZ-UHFFFAOYSA-N 1 1 392.330 4.140 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000177068835 823363893 /nfs/dbraw/zinc/36/38/93/823363893.db2.gz YUMIIRUYNKCFET-KDOFPFPSSA-N 1 1 387.351 4.045 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)COc1ccc(-c2ccccc2)cc1Cl)c1ccco1 ZINC000022381311 818799366 /nfs/dbraw/zinc/79/93/66/818799366.db2.gz UGWFANBUTVNZBI-LJQANCHMSA-N 1 1 398.890 4.398 20 0 GIADMO C[N@@H+](CCNC(=O)CCCc1nc2ccccc2s1)Cc1ccc(F)cc1 ZINC000177071254 823364534 /nfs/dbraw/zinc/36/45/34/823364534.db2.gz OVLSSOAQXITJBI-UHFFFAOYSA-N 1 1 385.508 4.006 20 0 GIADMO O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000572586419 823365683 /nfs/dbraw/zinc/36/56/83/823365683.db2.gz RZOSQQFJUFDYDF-DNQXCXABSA-N 1 1 398.510 4.092 20 0 GIADMO Cc1cc(C(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)c(C)n1Cc1cccs1 ZINC000189155072 823366743 /nfs/dbraw/zinc/36/67/43/823366743.db2.gz KOWMRRRYUXEHDP-JOCHJYFZSA-N 1 1 386.561 4.288 20 0 GIADMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3c(C)cccc3C(C)C)CC2)c1 ZINC000022774153 818859590 /nfs/dbraw/zinc/85/95/90/818859590.db2.gz WXGBIYCBKAHVGW-UHFFFAOYSA-N 1 1 379.548 4.183 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000022784266 818860892 /nfs/dbraw/zinc/86/08/92/818860892.db2.gz ASXIAEXKLUHBBX-ZDUSSCGKSA-N 1 1 398.359 4.200 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000122563421 823373166 /nfs/dbraw/zinc/37/31/66/823373166.db2.gz LRLOATQUDXTIGH-HSZRJFAPSA-N 1 1 378.447 4.460 20 0 GIADMO Clc1ccc(CN2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000023010159 818887516 /nfs/dbraw/zinc/88/75/16/818887516.db2.gz VAKLIYVSNKKNPB-UHFFFAOYSA-N 1 1 380.923 4.234 20 0 GIADMO Clc1ccc(C[N@@H+]2CCCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000023010159 818887520 /nfs/dbraw/zinc/88/75/20/818887520.db2.gz VAKLIYVSNKKNPB-UHFFFAOYSA-N 1 1 380.923 4.234 20 0 GIADMO Clc1ccc(C[N@H+]2CCCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000023010159 818887527 /nfs/dbraw/zinc/88/75/27/818887527.db2.gz VAKLIYVSNKKNPB-UHFFFAOYSA-N 1 1 380.923 4.234 20 0 GIADMO C[C@H]1C[C@H](NC(=O)CCSc2ccnc3cc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000177102900 823371854 /nfs/dbraw/zinc/37/18/54/823371854.db2.gz RTJDIUUJEWKQMF-ZFWWWQNUSA-N 1 1 389.952 4.112 20 0 GIADMO CCC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1C ZINC000023146113 818903783 /nfs/dbraw/zinc/90/37/83/818903783.db2.gz DUBPSHLNGSYFLW-UHFFFAOYSA-N 1 1 387.911 4.328 20 0 GIADMO CC(C)c1ccc([C@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)c2cccs2)cc1 ZINC000177103405 823371948 /nfs/dbraw/zinc/37/19/48/823371948.db2.gz RZQMGJWUQLCWNF-FPOVZHCZSA-N 1 1 394.544 4.090 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)[NH+](C)C ZINC000023195501 818907727 /nfs/dbraw/zinc/90/77/27/818907727.db2.gz RHXSDMJAXGYAPE-SFHVURJKSA-N 1 1 395.330 4.354 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177110445 823373725 /nfs/dbraw/zinc/37/37/25/823373725.db2.gz CRNCFAUZUWSHSM-AZUAARDMSA-N 1 1 389.503 4.047 20 0 GIADMO CCCCOc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3[C@H]3CCCOC3)o2)cc1 ZINC000572636855 823372670 /nfs/dbraw/zinc/37/26/70/823372670.db2.gz FEILNJPLOPUQQF-ICSRJNTNSA-N 1 1 385.508 4.307 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460388705 823372993 /nfs/dbraw/zinc/37/29/93/823372993.db2.gz QXERRLSHHSWQER-ZACQAIPSSA-N 1 1 377.495 4.117 20 0 GIADMO Cc1cc(C)c(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000023355109 818927106 /nfs/dbraw/zinc/92/71/06/818927106.db2.gz KJBCIFMZKWTBDV-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO CCOc1c(Br)cc(C[NH2+]Cc2cc(F)ccc2OC)cc1OC ZINC000189199373 823374459 /nfs/dbraw/zinc/37/44/59/823374459.db2.gz KFEJKQWJLRSGBJ-UHFFFAOYSA-N 1 1 398.272 4.294 20 0 GIADMO CC(C)c1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000177116153 823374871 /nfs/dbraw/zinc/37/48/71/823374871.db2.gz PNIZBALSPHVLQI-ZBFHGGJFSA-N 1 1 386.927 4.004 20 0 GIADMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000410043999 823378529 /nfs/dbraw/zinc/37/85/29/823378529.db2.gz JHDJOJXJOPCJQI-VNHYZAJKSA-N 1 1 386.323 4.099 20 0 GIADMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000410043999 823378534 /nfs/dbraw/zinc/37/85/34/823378534.db2.gz JHDJOJXJOPCJQI-VNHYZAJKSA-N 1 1 386.323 4.099 20 0 GIADMO CCCNC(=O)C1([NH2+]Cc2csc(-c3ccccc3OC)n2)CCCCC1 ZINC000177118162 823375486 /nfs/dbraw/zinc/37/54/86/823375486.db2.gz GVCFAQNJSLKMFG-UHFFFAOYSA-N 1 1 387.549 4.137 20 0 GIADMO CCSc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000177130047 823378540 /nfs/dbraw/zinc/37/85/40/823378540.db2.gz UZAIJQOFHUDCMM-UHFFFAOYSA-N 1 1 391.924 4.204 20 0 GIADMO COc1ccc(F)cc1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000189212451 823376899 /nfs/dbraw/zinc/37/68/99/823376899.db2.gz SGVXZSDOYIWGIS-UHFFFAOYSA-N 1 1 390.256 4.072 20 0 GIADMO O=C(c1cc2c(cccc2F)[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023877152 818988810 /nfs/dbraw/zinc/98/88/10/818988810.db2.gz JOAQIQYZNVSEIW-UHFFFAOYSA-N 1 1 387.458 4.418 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)CC3(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000189219604 823377835 /nfs/dbraw/zinc/37/78/35/823377835.db2.gz AOCJUXGSRCATDO-PMACEKPBSA-N 1 1 392.543 4.100 20 0 GIADMO COc1ccc2[nH]c(C(=O)N3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc2c1 ZINC000189231267 823379162 /nfs/dbraw/zinc/37/91/62/823379162.db2.gz YQRLLIZJZFBPLM-UHFFFAOYSA-N 1 1 391.515 4.161 20 0 GIADMO CN(C)C(=O)Sc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000177150539 823383814 /nfs/dbraw/zinc/38/38/14/823383814.db2.gz PZDNOFYDLPKQQN-HXUWFJFHSA-N 1 1 384.545 4.294 20 0 GIADMO COc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)ccc1OC(F)F 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393.487 4.163 20 0 GIADMO O=C(c1ccnn1C1CCCC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000410224080 823424447 /nfs/dbraw/zinc/42/44/47/823424447.db2.gz JNGGRCFRLOKYHK-UHFFFAOYSA-N 1 1 388.515 4.109 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177295491 823424550 /nfs/dbraw/zinc/42/45/50/823424550.db2.gz ZJWPSVHMENQNFX-GOSISDBHSA-N 1 1 391.515 4.334 20 0 GIADMO C[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000122837140 823420971 /nfs/dbraw/zinc/42/09/71/823420971.db2.gz BVUZVHKMNHLRBV-CYBMUJFWSA-N 1 1 395.334 4.452 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1Br)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411154469 823552314 /nfs/dbraw/zinc/55/23/14/823552314.db2.gz DZMTXSJQODKYAK-WMLDXEAASA-N 1 1 377.257 4.015 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000122866080 823425926 /nfs/dbraw/zinc/42/59/26/823425926.db2.gz OUBOMQYZXFZRIC-GMBSWORKSA-N 1 1 395.469 4.425 20 0 GIADMO Fc1cccc(C[N@H+]2CCC[C@H](c3nc(-c4ccnc5[nH]ccc54)no3)C2)c1 ZINC000572952104 823425980 /nfs/dbraw/zinc/42/59/80/823425980.db2.gz CNCINWKPCZSDDR-HNNXBMFYSA-N 1 1 377.423 4.083 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(C(F)(F)F)c(Br)cn1 ZINC000572956224 823426570 /nfs/dbraw/zinc/42/65/70/823426570.db2.gz PPOJXUQXVBXOHY-NSHDSACASA-N 1 1 389.219 4.037 20 0 GIADMO COc1ccc2[nH]c(C(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)cc2c1 ZINC000189479913 823426810 /nfs/dbraw/zinc/42/68/10/823426810.db2.gz BOEVSIDIJBWWFO-QGZVFWFLSA-N 1 1 383.536 4.293 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N2CC(C)(C)[C@@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000460549032 823427992 /nfs/dbraw/zinc/42/79/92/823427992.db2.gz DTBMKFTVOCLGLH-LZQZEXGQSA-N 1 1 393.934 4.302 20 0 GIADMO COc1ccccc1[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000122899533 823431259 /nfs/dbraw/zinc/43/12/59/823431259.db2.gz OOUGENDXXBJYQU-MBSDFSHPSA-N 1 1 395.524 4.237 20 0 GIADMO Cn1nc(C2CC2)nc1C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC000572996799 823431376 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ZINC000189746148 823486522 /nfs/dbraw/zinc/48/65/22/823486522.db2.gz ZWBIMPUDRABPPK-WMLDXEAASA-N 1 1 386.439 4.047 20 0 GIADMO C[C@H](C1CC1)[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000029843795 820531538 /nfs/dbraw/zinc/53/15/38/820531538.db2.gz JAVDWXIZAOONLK-MRXNPFEDSA-N 1 1 388.458 4.205 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)C1 ZINC000177544813 823487214 /nfs/dbraw/zinc/48/72/14/823487214.db2.gz FKBBYRVSWZXCIA-INIZCTEOSA-N 1 1 385.512 4.056 20 0 GIADMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1cc(F)cc(F)c1 ZINC000029936382 820550703 /nfs/dbraw/zinc/55/07/03/820550703.db2.gz DALKUJCVAGYKLL-LJQANCHMSA-N 1 1 376.403 4.483 20 0 GIADMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000029936228 820550845 /nfs/dbraw/zinc/55/08/45/820550845.db2.gz WWFUHDLXRYYOCY-LJQANCHMSA-N 1 1 376.403 4.483 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C)[NH+](C)C ZINC000059264278 823488119 /nfs/dbraw/zinc/48/81/19/823488119.db2.gz 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823495073 /nfs/dbraw/zinc/49/50/73/823495073.db2.gz FPSIHSUKHHPCRF-SFHVURJKSA-N 1 1 392.499 4.036 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CCc2ccc(F)cc2)cc1 ZINC000123316184 823495195 /nfs/dbraw/zinc/49/51/95/823495195.db2.gz UWGJTSLMQGJFAX-MRXNPFEDSA-N 1 1 380.467 4.265 20 0 GIADMO COC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2OC)c(Br)c1 ZINC000573466360 823493379 /nfs/dbraw/zinc/49/33/79/823493379.db2.gz VQJSBVCENGVQKV-UHFFFAOYSA-N 1 1 398.684 4.188 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189780764 823493355 /nfs/dbraw/zinc/49/33/55/823493355.db2.gz FORPFYLKQHXVDO-INIZCTEOSA-N 1 1 379.913 4.279 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189780764 823493362 /nfs/dbraw/zinc/49/33/62/823493362.db2.gz FORPFYLKQHXVDO-INIZCTEOSA-N 1 1 379.913 4.279 20 0 GIADMO Cc1ccccc1NC(=O)Cc1nc(C[N@H+](C)CCc2ccccc2)cs1 ZINC000177569504 823493432 /nfs/dbraw/zinc/49/34/32/823493432.db2.gz QLKKWVFBMRORNC-UHFFFAOYSA-N 1 1 379.529 4.307 20 0 GIADMO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C)CCc2ccccc2)cs1 ZINC000177569504 823493437 /nfs/dbraw/zinc/49/34/37/823493437.db2.gz QLKKWVFBMRORNC-UHFFFAOYSA-N 1 1 379.529 4.307 20 0 GIADMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000059404447 823495503 /nfs/dbraw/zinc/49/55/03/823495503.db2.gz VFPDRHZCVPSAFJ-YOEHRIQHSA-N 1 1 389.927 4.356 20 0 GIADMO O=C(C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1)NCc1ccco1 ZINC000030642394 820657054 /nfs/dbraw/zinc/65/70/54/820657054.db2.gz LMFPLHLYFNVRHM-UHFFFAOYSA-N 1 1 379.243 4.252 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1C ZINC000059410544 823495859 /nfs/dbraw/zinc/49/58/59/823495859.db2.gz DQQHWSJCEJJAAE-IYBDPMFKSA-N 1 1 395.547 4.242 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000059411709 823495927 /nfs/dbraw/zinc/49/59/27/823495927.db2.gz XMVKTSHGWIMKQX-AZUAARDMSA-N 1 1 391.515 4.053 20 0 GIADMO Cc1cccc2nc(C3CC[NH+](CC(=O)N(C)Cc4ccccc4F)CC3)oc21 ZINC000189805636 823498061 /nfs/dbraw/zinc/49/80/61/823498061.db2.gz RDZQLAPQSZNZLO-UHFFFAOYSA-N 1 1 395.478 4.113 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000410484536 823498613 /nfs/dbraw/zinc/49/86/13/823498613.db2.gz QMYVICIVDVRERO-ADHNFCLRSA-N 1 1 386.580 4.214 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000410484537 823498703 /nfs/dbraw/zinc/49/87/03/823498703.db2.gz QMYVICIVDVRERO-IZBOUPIGSA-N 1 1 386.580 4.214 20 0 GIADMO Brc1ccc(-c2ccc(CNC[C@H]3CC[N@H+](C4CC4)C3)o2)cc1 ZINC000030907069 820706214 /nfs/dbraw/zinc/70/62/14/820706214.db2.gz QJDWTHDPDHZQET-CQSZACIVSA-N 1 1 375.310 4.283 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000030907099 820706278 /nfs/dbraw/zinc/70/62/78/820706278.db2.gz CJZRJZKYMVJNPC-GOSISDBHSA-N 1 1 376.504 4.015 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000030907099 820706286 /nfs/dbraw/zinc/70/62/86/820706286.db2.gz CJZRJZKYMVJNPC-GOSISDBHSA-N 1 1 376.504 4.015 20 0 GIADMO c1csc(-c2nn(Cc3ccccc3)cc2CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000030907155 820706692 /nfs/dbraw/zinc/70/66/92/820706692.db2.gz ARWSCLQDWVQIKK-LJQANCHMSA-N 1 1 392.572 4.234 20 0 GIADMO c1csc(-c2nn(Cc3ccccc3)cc2CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000030907155 820706700 /nfs/dbraw/zinc/70/67/00/820706700.db2.gz ARWSCLQDWVQIKK-LJQANCHMSA-N 1 1 392.572 4.234 20 0 GIADMO COc1ccc(Br)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177597561 823498934 /nfs/dbraw/zinc/49/89/34/823498934.db2.gz JQDSGLDBNFSYQJ-SFHVURJKSA-N 1 1 398.341 4.008 20 0 GIADMO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)cs1 ZINC000189812117 823499760 /nfs/dbraw/zinc/49/97/60/823499760.db2.gz RGTAUWZXSFSDKY-BLLLJJGKSA-N 1 1 387.332 4.335 20 0 GIADMO Cc1nc([C@H]2CCC[N@H+]2C[C@H](O)COc2c(Cl)cccc2Cl)cs1 ZINC000189812117 823499762 /nfs/dbraw/zinc/49/97/62/823499762.db2.gz RGTAUWZXSFSDKY-BLLLJJGKSA-N 1 1 387.332 4.335 20 0 GIADMO COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177635183 823505368 /nfs/dbraw/zinc/50/53/68/823505368.db2.gz AMZMADVSGAFHBD-DYESRHJHSA-N 1 1 386.536 4.022 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000177643877 823506357 /nfs/dbraw/zinc/50/63/57/823506357.db2.gz PQXGHLGHFTUYGR-QGZVFWFLSA-N 1 1 379.435 4.331 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177611968 823500857 /nfs/dbraw/zinc/50/08/57/823500857.db2.gz NGYLKXRVJKRTKD-LPHOPBHVSA-N 1 1 394.943 4.026 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c(F)ccc(SCC3CC3)c2F)[C@@H](C)C1 ZINC000410513450 823500902 /nfs/dbraw/zinc/50/09/02/823500902.db2.gz MHBQXAIPZAHMKQ-BBRMVZONSA-N 1 1 382.520 4.269 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)o2)cc1 ZINC000177612210 823501128 /nfs/dbraw/zinc/50/11/28/823501128.db2.gz WQFSIMYDVSIABR-PXNSSMCTSA-N 1 1 385.508 4.156 20 0 GIADMO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)NCc4ccccc4F)CC3)oc21 ZINC000189818968 823501562 /nfs/dbraw/zinc/50/15/62/823501562.db2.gz ZOQWLZLMRWFXAN-INIZCTEOSA-N 1 1 395.478 4.160 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)s2)o1 ZINC000031415885 820807685 /nfs/dbraw/zinc/80/76/85/820807685.db2.gz AFDNZVCXUMBLDW-GOSISDBHSA-N 1 1 395.528 4.414 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)s2)o1 ZINC000031415885 820807695 /nfs/dbraw/zinc/80/76/95/820807695.db2.gz AFDNZVCXUMBLDW-GOSISDBHSA-N 1 1 395.528 4.414 20 0 GIADMO CC[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1c(C)noc1C ZINC000123415634 823507207 /nfs/dbraw/zinc/50/72/07/823507207.db2.gz RJBUHHXPMBLOAX-IBGZPJMESA-N 1 1 376.545 4.040 20 0 GIADMO COc1ccccc1NC(=O)C1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000177652059 823507472 /nfs/dbraw/zinc/50/74/72/823507472.db2.gz ADHKULSOMLSBBM-OAHLLOKOSA-N 1 1 385.508 4.392 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031543821 820823341 /nfs/dbraw/zinc/82/33/41/820823341.db2.gz NGUWTJYILXOHOB-SFHVURJKSA-N 1 1 395.528 4.035 20 0 GIADMO O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031566752 820827004 /nfs/dbraw/zinc/82/70/04/820827004.db2.gz IENZWOMGWBMRMC-HXUWFJFHSA-N 1 1 391.540 4.133 20 0 GIADMO CC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000031660889 820840451 /nfs/dbraw/zinc/84/04/51/820840451.db2.gz PNZOUEUSLYDIER-QFIPXVFZSA-N 1 1 379.504 4.094 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000060159582 823510415 /nfs/dbraw/zinc/51/04/15/823510415.db2.gz JDDRBBOUHIPPPL-LJQANCHMSA-N 1 1 391.540 4.452 20 0 GIADMO CCN(CC)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000123453647 823510507 /nfs/dbraw/zinc/51/05/07/823510507.db2.gz IYCMDLXPPNHJIL-LZQZEXGQSA-N 1 1 399.501 4.029 20 0 GIADMO CCN(CC)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000123453647 823510510 /nfs/dbraw/zinc/51/05/10/823510510.db2.gz IYCMDLXPPNHJIL-LZQZEXGQSA-N 1 1 399.501 4.029 20 0 GIADMO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060159612 823510475 /nfs/dbraw/zinc/51/04/75/823510475.db2.gz YYKIVSOYGOFDAP-PKOBYXMFSA-N 1 1 386.923 4.136 20 0 GIADMO c1coc(C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]2CCCO2)c1 ZINC000060168252 823511027 /nfs/dbraw/zinc/51/10/27/823511027.db2.gz NRZHBLQABZQCOZ-HSZRJFAPSA-N 1 1 378.472 4.435 20 0 GIADMO C[C@@H](CNC(=O)c1cc(Cl)sc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000031963201 820880036 /nfs/dbraw/zinc/88/00/36/820880036.db2.gz IZHPJJHIIQGSKV-VIFPVBQESA-N 1 1 375.346 4.293 20 0 GIADMO C[C@@H](CNC(=O)c1cc(Cl)sc1Cl)[N@H+]1CCc2sccc2C1 ZINC000031963201 820880044 /nfs/dbraw/zinc/88/00/44/820880044.db2.gz IZHPJJHIIQGSKV-VIFPVBQESA-N 1 1 375.346 4.293 20 0 GIADMO Cc1cc2occ(CC(=O)NC[C@@H](C)[N@@H+]3CCc4sccc4C3)c2cc1C ZINC000031963738 820880170 /nfs/dbraw/zinc/88/01/70/820880170.db2.gz WJVKYELENBKPGR-MRXNPFEDSA-N 1 1 382.529 4.217 20 0 GIADMO Cc1cc2occ(CC(=O)NC[C@@H](C)[N@H+]3CCc4sccc4C3)c2cc1C ZINC000031963738 820880178 /nfs/dbraw/zinc/88/01/78/820880178.db2.gz WJVKYELENBKPGR-MRXNPFEDSA-N 1 1 382.529 4.217 20 0 GIADMO C[C@H](CNC(=O)CCCc1c[nH]c2ccccc12)[N@@H+]1CCc2sccc2C1 ZINC000031964753 820881063 /nfs/dbraw/zinc/88/10/63/820881063.db2.gz MVLMCGPXAZLGBW-MRXNPFEDSA-N 1 1 381.545 4.115 20 0 GIADMO C[C@H](CNC(=O)CCCc1c[nH]c2ccccc12)[N@H+]1CCc2sccc2C1 ZINC000031964753 820881073 /nfs/dbraw/zinc/88/10/73/820881073.db2.gz MVLMCGPXAZLGBW-MRXNPFEDSA-N 1 1 381.545 4.115 20 0 GIADMO CC[NH+](CC)[C@@H](CNC(=O)CCC(=O)c1ccc(C)s1)c1ccsc1 ZINC000031986917 820884888 /nfs/dbraw/zinc/88/48/88/820884888.db2.gz UHBDCKBIMJMJFA-INIZCTEOSA-N 1 1 378.563 4.280 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000060207325 823511741 /nfs/dbraw/zinc/51/17/41/823511741.db2.gz GJKSUENNSBKBII-KRWDZBQOSA-N 1 1 398.934 4.421 20 0 GIADMO O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C[NH+]1CCSCC1 ZINC000060220589 823512658 /nfs/dbraw/zinc/51/26/58/823512658.db2.gz JWRIWSAVWQAYAB-UHFFFAOYSA-N 1 1 379.529 4.288 20 0 GIADMO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244133 823513113 /nfs/dbraw/zinc/51/31/13/823513113.db2.gz PVOKFZAEJYXVIH-HOTGVXAUSA-N 1 1 392.952 4.197 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000189957115 823517957 /nfs/dbraw/zinc/51/79/57/823517957.db2.gz SXWPWVOVVRRYNY-OAQYLSRUSA-N 1 1 388.600 4.156 20 0 GIADMO COc1cccc(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)c1OC ZINC000123500268 823515003 /nfs/dbraw/zinc/51/50/03/823515003.db2.gz OQRJJFHNSQSHTH-UHFFFAOYSA-N 1 1 397.519 4.049 20 0 GIADMO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177711071 823515547 /nfs/dbraw/zinc/51/55/47/823515547.db2.gz JBUQCJGVRJSVPO-GCJKJVERSA-N 1 1 394.563 4.374 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(C2CC2)nc2ccccc21 ZINC000032400060 820933884 /nfs/dbraw/zinc/93/38/84/820933884.db2.gz WVSXNJFKVFNIBW-UHFFFAOYSA-N 1 1 385.511 4.290 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(Cl)c2cccnc12)[N@@H+]1CCc2sccc2C1 ZINC000032429785 820942659 /nfs/dbraw/zinc/94/26/59/820942659.db2.gz GPXVKZOUMVAKEJ-ZDUSSCGKSA-N 1 1 385.920 4.126 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(Cl)c2cccnc12)[N@H+]1CCc2sccc2C1 ZINC000032429785 820942663 /nfs/dbraw/zinc/94/26/63/820942663.db2.gz GPXVKZOUMVAKEJ-ZDUSSCGKSA-N 1 1 385.920 4.126 20 0 GIADMO CCC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccccc1 ZINC000032510794 820963120 /nfs/dbraw/zinc/96/31/20/820963120.db2.gz KGZRQXQJTCJAFC-HXUWFJFHSA-N 1 1 391.471 4.463 20 0 GIADMO CCC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccccc1 ZINC000032510794 820963123 /nfs/dbraw/zinc/96/31/23/820963123.db2.gz KGZRQXQJTCJAFC-HXUWFJFHSA-N 1 1 391.471 4.463 20 0 GIADMO Cc1ccc(C[N@H+](C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cc1 ZINC000032510835 820963133 /nfs/dbraw/zinc/96/31/33/820963133.db2.gz OOHZZRUDIWVUDE-LJQANCHMSA-N 1 1 393.512 4.459 20 0 GIADMO Cc1ccc(C[N@@H+](C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)cc1 ZINC000032510835 820963137 /nfs/dbraw/zinc/96/31/37/820963137.db2.gz OOHZZRUDIWVUDE-LJQANCHMSA-N 1 1 393.512 4.459 20 0 GIADMO Cc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000123538842 823519139 /nfs/dbraw/zinc/51/91/39/823519139.db2.gz QFXXNKAWISFWRX-UHFFFAOYSA-N 1 1 383.540 4.052 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1ncoc1-c1ccccc1Cl)[NH+](C)C ZINC000460811559 823519196 /nfs/dbraw/zinc/51/91/96/823519196.db2.gz HPHIQDASKHAOQM-KRWDZBQOSA-N 1 1 399.878 4.036 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1sc2cccc(F)c2c1C)[NH+](C)C ZINC000032694678 820992616 /nfs/dbraw/zinc/99/26/16/820992616.db2.gz LTBDZPSWUCDBRG-MRXNPFEDSA-N 1 1 386.492 4.390 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2cccs2)nc1C)[NH+](C)C ZINC000032694718 820992794 /nfs/dbraw/zinc/99/27/94/820992794.db2.gz SABKWJOZOKCASC-LJQANCHMSA-N 1 1 395.528 4.160 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Cc1coc2cc(C)c(C)cc12)[NH+](C)C ZINC000032694756 820992880 /nfs/dbraw/zinc/99/28/80/820992880.db2.gz ZJPDUMHIPVZKKU-HXUWFJFHSA-N 1 1 380.488 4.020 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1cc(-c2cccc(Cl)c2)on1)[NH+](C)C ZINC000032695786 820993401 /nfs/dbraw/zinc/99/34/01/820993401.db2.gz STXMHEHECANDON-SFHVURJKSA-N 1 1 399.878 4.036 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 ZINC000032701074 820994202 /nfs/dbraw/zinc/99/42/02/820994202.db2.gz FGMSTLZTHKGIAE-UHFFFAOYSA-N 1 1 391.540 4.000 20 0 GIADMO C[C@@H](CNC(=O)c1cc(-c2cccnc2)nc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000032732314 820999370 /nfs/dbraw/zinc/99/93/70/820999370.db2.gz XXTWRDKYWHIBEQ-MSOLQXFVSA-N 1 1 388.515 4.290 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H](C)c4ccc(S(C)(=O)=O)cc4)C3)nc2c1 ZINC000189979741 823520853 /nfs/dbraw/zinc/52/08/53/823520853.db2.gz PXWVRVWROQPEEP-FUHWJXTLSA-N 1 1 397.544 4.215 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@@H](C)c4ccc(S(C)(=O)=O)cc4)C3)nc2c1 ZINC000189979741 823520854 /nfs/dbraw/zinc/52/08/54/823520854.db2.gz PXWVRVWROQPEEP-FUHWJXTLSA-N 1 1 397.544 4.215 20 0 GIADMO CC(C)c1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000123557468 823521018 /nfs/dbraw/zinc/52/10/18/823521018.db2.gz ZXBLGLPYEZSMHC-DOTOQJQBSA-N 1 1 388.943 4.204 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000032773259 821007234 /nfs/dbraw/zinc/00/72/34/821007234.db2.gz ZVLPKCVSPVHAQK-UHFFFAOYSA-N 1 1 398.547 4.092 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000032773259 821007245 /nfs/dbraw/zinc/00/72/45/821007245.db2.gz ZVLPKCVSPVHAQK-UHFFFAOYSA-N 1 1 398.547 4.092 20 0 GIADMO Cc1ccc(-c2nc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)cs2)o1 ZINC000032833532 821011966 /nfs/dbraw/zinc/01/19/66/821011966.db2.gz YIYHLFAFQKXNAO-UHFFFAOYSA-N 1 1 381.501 4.060 20 0 GIADMO O=C(CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000060381415 823522007 /nfs/dbraw/zinc/52/20/07/823522007.db2.gz IZAJONCPYNKTRJ-UHFFFAOYSA-N 1 1 395.453 4.433 20 0 GIADMO Cc1ccc(-c2nc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cs2)o1 ZINC000032949815 821022186 /nfs/dbraw/zinc/02/21/86/821022186.db2.gz IPSSTHJVLXXCPO-UHFFFAOYSA-N 1 1 399.491 4.199 20 0 GIADMO Cc1ccc(-c2nc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cs2)o1 ZINC000032949815 821022191 /nfs/dbraw/zinc/02/21/91/821022191.db2.gz IPSSTHJVLXXCPO-UHFFFAOYSA-N 1 1 399.491 4.199 20 0 GIADMO Brc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)nc1 ZINC000460822456 823522199 /nfs/dbraw/zinc/52/21/99/823522199.db2.gz LTZSFXWCFRESMJ-OAHLLOKOSA-N 1 1 399.292 4.274 20 0 GIADMO CC[C@@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(C)noc1C ZINC000123630874 823527712 /nfs/dbraw/zinc/52/77/12/823527712.db2.gz VBRDOUZSKJBHPS-WOJBJXKFSA-N 1 1 384.524 4.049 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)nnn1-c1ccc(Cl)cc1 ZINC000177806628 823528285 /nfs/dbraw/zinc/52/82/85/823528285.db2.gz DAGXSBWEOMRTCQ-HNNXBMFYSA-N 1 1 392.894 4.266 20 0 GIADMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(F)c(F)c1F ZINC000036099662 821069060 /nfs/dbraw/zinc/06/90/60/821069060.db2.gz PPQGEOQAROGNKT-INIZCTEOSA-N 1 1 382.813 4.324 20 0 GIADMO O=c1ccccn1Cc1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1 ZINC000123646127 823529045 /nfs/dbraw/zinc/52/90/45/823529045.db2.gz UWWKOUJQDPWFDB-UHFFFAOYSA-N 1 1 387.508 4.310 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCc3cccc4c3OCO4)c2c1C ZINC000060451565 823529182 /nfs/dbraw/zinc/52/91/82/823529182.db2.gz KVFYFLGKQHFLST-UHFFFAOYSA-N 1 1 396.516 4.245 20 0 GIADMO CCOC1CC(CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000190003804 823524401 /nfs/dbraw/zinc/52/44/01/823524401.db2.gz MVAHOJGRDLLCIC-OSFYOIPJSA-N 1 1 387.568 4.065 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2Oc2cccnc2)[C@H](C)C1 ZINC000190008091 823524913 /nfs/dbraw/zinc/52/49/13/823524913.db2.gz XOIOQFFAFMQCEZ-DENIHFKCSA-N 1 1 383.536 4.101 20 0 GIADMO CC(C)c1ccc(NC(=S)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000036847441 821087766 /nfs/dbraw/zinc/08/77/66/821087766.db2.gz DKVMFLCUFYYIOD-LJQANCHMSA-N 1 1 396.604 4.307 20 0 GIADMO O=c1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c2ccc(O)cc2o1 ZINC000038658343 821098935 /nfs/dbraw/zinc/09/89/35/821098935.db2.gz OOLGVPYRAFWNAH-AWEZNQCLSA-N 1 1 392.480 4.488 20 0 GIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCc1cncs1)CC2 ZINC000123619375 823526712 /nfs/dbraw/zinc/52/67/12/823526712.db2.gz LSKQJBBJEFXHSW-UHFFFAOYSA-N 1 1 395.528 4.331 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCc1cncs1)CC2 ZINC000123619375 823526714 /nfs/dbraw/zinc/52/67/14/823526714.db2.gz LSKQJBBJEFXHSW-UHFFFAOYSA-N 1 1 395.528 4.331 20 0 GIADMO COC(=O)C[C@@](C)([NH2+]Cc1cnc(-c2ccc(C)cc2)s1)c1ccncc1 ZINC000190021030 823526878 /nfs/dbraw/zinc/52/68/78/823526878.db2.gz LWSWUJJVXNAMFV-OAQYLSRUSA-N 1 1 381.501 4.082 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000177821088 823530871 /nfs/dbraw/zinc/53/08/71/823530871.db2.gz LDFAOJFKQBNIAT-SJORKVTESA-N 1 1 397.548 4.027 20 0 GIADMO CC[N@@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000060467639 823531498 /nfs/dbraw/zinc/53/14/98/823531498.db2.gz HKBNOGDHGRAVIL-UHFFFAOYSA-N 1 1 387.837 4.489 20 0 GIADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(C(C)(C)C)nc1-c1ccc(F)cc1F ZINC000460865610 823532040 /nfs/dbraw/zinc/53/20/40/823532040.db2.gz PYVYELYHVXHSNR-CQSZACIVSA-N 1 1 392.494 4.043 20 0 GIADMO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483455 823533224 /nfs/dbraw/zinc/53/32/24/823533224.db2.gz SPSVHPINWDSWJY-JXFKEZNVSA-N 1 1 390.955 4.414 20 0 GIADMO O=C(C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1)N1CCCCC1 ZINC000041106484 821170645 /nfs/dbraw/zinc/17/06/45/821170645.db2.gz YIPKXCGASKBBJZ-UHFFFAOYSA-N 1 1 387.524 4.174 20 0 GIADMO C[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1nc2ccccc2[nH]1 ZINC000177835688 823533768 /nfs/dbraw/zinc/53/37/68/823533768.db2.gz AQKWIWOZGSHSSV-MSOLQXFVSA-N 1 1 397.567 4.310 20 0 GIADMO C[N@@H+](CC[C@H]1CCCO1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190073249 823534028 /nfs/dbraw/zinc/53/40/28/823534028.db2.gz PBLDHKQCVSDGOW-SJORKVTESA-N 1 1 398.341 4.008 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(-c4ncco4)ccc3C)CC2)cs1 ZINC000123732525 823535815 /nfs/dbraw/zinc/53/58/15/823535815.db2.gz HSJUZUCLYIXSJH-UHFFFAOYSA-N 1 1 396.516 4.266 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000177858034 823537370 /nfs/dbraw/zinc/53/73/70/823537370.db2.gz NAURYGBXXNNMJO-UWJYYQICSA-N 1 1 385.939 4.413 20 0 GIADMO Clc1ccc(OCc2cccnc2)c(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000060527069 823538519 /nfs/dbraw/zinc/53/85/19/823538519.db2.gz SHDGNHGFRVGLRD-UHFFFAOYSA-N 1 1 382.847 4.333 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2cccc(OC(C)C)c2)c1 ZINC000123765134 823538646 /nfs/dbraw/zinc/53/86/46/823538646.db2.gz WSOYMOONXYGHFY-UHFFFAOYSA-N 1 1 383.536 4.267 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC000177867111 823538700 /nfs/dbraw/zinc/53/87/00/823538700.db2.gz LJKWRPHNWAMOCQ-UGKGYDQZSA-N 1 1 379.504 4.214 20 0 GIADMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000460902348 823538854 /nfs/dbraw/zinc/53/88/54/823538854.db2.gz FGKMAWZCGCWKDG-SFHVURJKSA-N 1 1 391.531 4.195 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)C)C1 ZINC000177869836 823538954 /nfs/dbraw/zinc/53/89/54/823538954.db2.gz HGANTADBRIIGRP-CRAIPNDOSA-N 1 1 385.474 4.386 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000177875328 823539700 /nfs/dbraw/zinc/53/97/00/823539700.db2.gz RZJXTIKTQFOIOC-VQTJNVASSA-N 1 1 386.927 4.193 20 0 GIADMO CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1c(C)noc1C ZINC000123777510 823539861 /nfs/dbraw/zinc/53/98/61/823539861.db2.gz ZUNXQXSGDRQEST-CZAAIQMYSA-N 1 1 398.551 4.437 20 0 GIADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000190120356 823540058 /nfs/dbraw/zinc/54/00/58/823540058.db2.gz BHWRDFXTIHFKFM-MRXNPFEDSA-N 1 1 391.581 4.030 20 0 GIADMO CCN(C(=O)c1ccc(OC)c(OC)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000060543873 823540411 /nfs/dbraw/zinc/54/04/11/823540411.db2.gz VSWUFCSRVQNKBW-FXAWDEMLSA-N 1 1 382.504 4.001 20 0 GIADMO CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccccc1 ZINC000042132456 821271801 /nfs/dbraw/zinc/27/18/01/821271801.db2.gz FPKQTGPKKOPWTA-MSOLQXFVSA-N 1 1 377.488 4.449 20 0 GIADMO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132583 821272263 /nfs/dbraw/zinc/27/22/63/821272263.db2.gz ILKYEOPEWDCAPN-ICSRJNTNSA-N 1 1 391.515 4.063 20 0 GIADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460911241 823540756 /nfs/dbraw/zinc/54/07/56/823540756.db2.gz QSQHKKWBJKXPHE-OAQYLSRUSA-N 1 1 381.520 4.045 20 0 GIADMO Clc1ccc2nc(C[NH2+]Cc3ccccc3OCc3cccnc3)cn2c1 ZINC000042207782 821284389 /nfs/dbraw/zinc/28/43/89/821284389.db2.gz PDAYJJKEQMGNSZ-UHFFFAOYSA-N 1 1 378.863 4.252 20 0 GIADMO COc1ccc(-c2nc(CN3CCC[N@@H+](Cc4ccccc4)CC3)co2)cc1 ZINC000042760189 821331644 /nfs/dbraw/zinc/33/16/44/821331644.db2.gz KZUWZTQVDPTUAO-UHFFFAOYSA-N 1 1 377.488 4.058 20 0 GIADMO CC(C)[C@@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1nc2ccccc2[nH]1 ZINC000043105323 821361429 /nfs/dbraw/zinc/36/14/29/821361429.db2.gz WQPUONRKBLAHNU-YLJYHZDGSA-N 1 1 385.556 4.214 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000180626766 821373876 /nfs/dbraw/zinc/37/38/76/821373876.db2.gz HXJYVCYTPQFHIP-ZDUSSCGKSA-N 1 1 393.413 4.399 20 0 GIADMO CC[C@H](CSC)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000180656460 821384983 /nfs/dbraw/zinc/38/49/83/821384983.db2.gz SDGDWOQNXMQBAU-MRXNPFEDSA-N 1 1 377.579 4.206 20 0 GIADMO CC[C@H](CSC)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000180656460 821384985 /nfs/dbraw/zinc/38/49/85/821384985.db2.gz SDGDWOQNXMQBAU-MRXNPFEDSA-N 1 1 377.579 4.206 20 0 GIADMO CCc1ccc([C@H]([NH2+][C@H](C)c2c[nH]nc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180662754 821387164 /nfs/dbraw/zinc/38/71/64/821387164.db2.gz HZSPZMXUKOEPTI-QRQCRPRQSA-N 1 1 397.544 4.124 20 0 GIADMO CC[C@H](CSC)[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000180668270 821388813 /nfs/dbraw/zinc/38/88/13/821388813.db2.gz RBGXJSAGWBTGNK-SECBINFHSA-N 1 1 376.345 4.134 20 0 GIADMO CCOc1cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)ccc1OC ZINC000043307268 821390129 /nfs/dbraw/zinc/39/01/29/821390129.db2.gz DBEUCQNFVKEZLW-QGZVFWFLSA-N 1 1 391.899 4.172 20 0 GIADMO Cc1ccc(F)c(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043350731 821396565 /nfs/dbraw/zinc/39/65/65/821396565.db2.gz MNFRVLHRQDVVSH-CALCHBBNSA-N 1 1 385.483 4.065 20 0 GIADMO C[C@H](CCN[C@H](c1cnn(C)c1)c1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000180697008 821400584 /nfs/dbraw/zinc/40/05/84/821400584.db2.gz ZJDYPWFBAISBCD-JPYJTQIMSA-N 1 1 380.511 4.149 20 0 GIADMO C[NH+](C)C1CCN(CCN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180711754 821410733 /nfs/dbraw/zinc/41/07/33/821410733.db2.gz KUOHJLWYPFKEFM-QFIPXVFZSA-N 1 1 389.946 4.184 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(Cl)ccc3F)CC2)cc1 ZINC000043527885 821422627 /nfs/dbraw/zinc/42/26/27/821422627.db2.gz LIGNBEUQXSSKES-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO CCOc1ccc([C@@H](C)NCC2([NH+]3CCCCC3)CCOCC2)cc1OCC ZINC000180739527 821427062 /nfs/dbraw/zinc/42/70/62/821427062.db2.gz RAHUHJGRKAFFAV-LJQANCHMSA-N 1 1 390.568 4.170 20 0 GIADMO OCCC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)Cc1cccc(Cl)c1 ZINC000180752839 821434647 /nfs/dbraw/zinc/43/46/47/821434647.db2.gz GZDQMYYPPSCVCH-UHFFFAOYSA-N 1 1 383.879 4.307 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c(OC)c1 ZINC000043644375 821435387 /nfs/dbraw/zinc/43/53/87/821435387.db2.gz MPMJEMXCMCKNHO-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c(OC)c1 ZINC000043644375 821435392 /nfs/dbraw/zinc/43/53/92/821435392.db2.gz MPMJEMXCMCKNHO-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO CC(C)C(=O)Nc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000043674664 821440133 /nfs/dbraw/zinc/44/01/33/821440133.db2.gz YSHGRWZSIJMTNZ-UHFFFAOYSA-N 1 1 394.519 4.021 20 0 GIADMO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)n1 ZINC000180772503 821446612 /nfs/dbraw/zinc/44/66/12/821446612.db2.gz PJTHWPDATAZCOF-QHCPKHFHSA-N 1 1 389.478 4.241 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1csc(Br)c1 ZINC000043728852 821448362 /nfs/dbraw/zinc/44/83/62/821448362.db2.gz FRASHGVIYCVQKN-ZDUSSCGKSA-N 1 1 383.311 4.061 20 0 GIADMO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043735287 821449425 /nfs/dbraw/zinc/44/94/25/821449425.db2.gz RVAKEMPIWATLFB-WBVHZDCISA-N 1 1 376.884 4.044 20 0 GIADMO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000180776568 821450405 /nfs/dbraw/zinc/45/04/05/821450405.db2.gz IWBUCMPQPRMCRY-LJQANCHMSA-N 1 1 378.394 4.237 20 0 GIADMO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000180776568 821450408 /nfs/dbraw/zinc/45/04/08/821450408.db2.gz IWBUCMPQPRMCRY-LJQANCHMSA-N 1 1 378.394 4.237 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc4cccnc43)cc2)C[C@H](C)O1 ZINC000043781343 821457338 /nfs/dbraw/zinc/45/73/38/821457338.db2.gz GMSRUZZSVTUUOO-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc4cccnc43)cc2)C[C@H](C)O1 ZINC000043781343 821457344 /nfs/dbraw/zinc/45/73/44/821457344.db2.gz GMSRUZZSVTUUOO-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180801640 821466136 /nfs/dbraw/zinc/46/61/36/821466136.db2.gz ZTYUADFWJJOJET-INIZCTEOSA-N 1 1 393.388 4.268 20 0 GIADMO CCOCc1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccc1OC ZINC000180802792 821466812 /nfs/dbraw/zinc/46/68/12/821466812.db2.gz YTRAFDWZYWOINE-QGZVFWFLSA-N 1 1 397.441 4.284 20 0 GIADMO COCCCOc1cccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180804313 821467410 /nfs/dbraw/zinc/46/74/10/821467410.db2.gz SCNMRRVVLXOREG-QGZVFWFLSA-N 1 1 397.441 4.154 20 0 GIADMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000180806007 821468937 /nfs/dbraw/zinc/46/89/37/821468937.db2.gz FWSYNVIZBJGXBO-HNNXBMFYSA-N 1 1 392.931 4.221 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000180822849 821481508 /nfs/dbraw/zinc/48/15/08/821481508.db2.gz RIOWFOCRSPEAEF-HNNXBMFYSA-N 1 1 391.309 4.009 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180854010 821497090 /nfs/dbraw/zinc/49/70/90/821497090.db2.gz PCXQPHHEGBOTBJ-IRXDYDNUSA-N 1 1 395.551 4.117 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180854010 821497094 /nfs/dbraw/zinc/49/70/94/821497094.db2.gz PCXQPHHEGBOTBJ-IRXDYDNUSA-N 1 1 395.551 4.117 20 0 GIADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180861104 821499412 /nfs/dbraw/zinc/49/94/12/821499412.db2.gz HKEIZQUMFQWPOD-ZFWWWQNUSA-N 1 1 398.898 4.257 20 0 GIADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180861104 821499416 /nfs/dbraw/zinc/49/94/16/821499416.db2.gz HKEIZQUMFQWPOD-ZFWWWQNUSA-N 1 1 398.898 4.257 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000044031581 821507885 /nfs/dbraw/zinc/50/78/85/821507885.db2.gz VOUVDKKZEHRSIQ-NRFANRHFSA-N 1 1 394.519 4.067 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)co2)cc1 ZINC000180884463 821512642 /nfs/dbraw/zinc/51/26/42/821512642.db2.gz PAFMUMNZDNYONX-KRWDZBQOSA-N 1 1 393.491 4.046 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)co2)cc1 ZINC000180884463 821512660 /nfs/dbraw/zinc/51/26/60/821512660.db2.gz PAFMUMNZDNYONX-KRWDZBQOSA-N 1 1 393.491 4.046 20 0 GIADMO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000044088743 821520660 /nfs/dbraw/zinc/52/06/60/821520660.db2.gz ACKGWNLEJPPOHA-SFHVURJKSA-N 1 1 399.498 4.164 20 0 GIADMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089969 821521123 /nfs/dbraw/zinc/52/11/23/821521123.db2.gz YMSPLQJKVZYPIX-KXBFYZLASA-N 1 1 397.471 4.077 20 0 GIADMO CCCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000044204687 821545940 /nfs/dbraw/zinc/54/59/40/821545940.db2.gz ROWGKMKARGQMRM-UHFFFAOYSA-N 1 1 397.519 4.224 20 0 GIADMO CC(C)[C@H](CSc1ccccc1)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000180960495 821557204 /nfs/dbraw/zinc/55/72/04/821557204.db2.gz LJMNHMCWBVHNPV-BDTNDASRSA-N 1 1 376.610 4.161 20 0 GIADMO O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044309388 821566073 /nfs/dbraw/zinc/56/60/73/821566073.db2.gz SZKNZHSYIGPKLC-UHFFFAOYSA-N 1 1 376.460 4.055 20 0 GIADMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(-c2ccccc2)o1 ZINC000180985051 821574803 /nfs/dbraw/zinc/57/48/03/821574803.db2.gz STFNICSUKMPJFD-QFIPXVFZSA-N 1 1 376.500 4.193 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438822 821586485 /nfs/dbraw/zinc/58/64/85/821586485.db2.gz AICDSQBYOIMKMA-UHFFFAOYSA-N 1 1 398.457 4.228 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+](C)Cc3cc(F)c(F)c(F)c3)cc2)no1 ZINC000181012622 821593011 /nfs/dbraw/zinc/59/30/11/821593011.db2.gz LTLXEBLVHLDOFM-UHFFFAOYSA-N 1 1 377.366 4.006 20 0 GIADMO CN(C)C(=O)Cc1nc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)cs1 ZINC000181042665 821608454 /nfs/dbraw/zinc/60/84/54/821608454.db2.gz GPBKMLYORQDXBN-HXUWFJFHSA-N 1 1 391.968 4.448 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181093212 821629161 /nfs/dbraw/zinc/62/91/61/821629161.db2.gz WSBPLYUMXYNBQB-CQSZACIVSA-N 1 1 399.445 4.239 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181093212 821629172 /nfs/dbraw/zinc/62/91/72/821629172.db2.gz WSBPLYUMXYNBQB-CQSZACIVSA-N 1 1 399.445 4.239 20 0 GIADMO CCOC(=O)c1sc2[nH]c([C@H](C)[N@H+](C)CC3CCCCC3)nc(=O)c2c1C ZINC000044714833 821648601 /nfs/dbraw/zinc/64/86/01/821648601.db2.gz WLPYTYJLDCJJKE-ZDUSSCGKSA-N 1 1 391.537 4.043 20 0 GIADMO CCOC(=O)c1sc2[nH]c([C@H](C)[N@@H+](C)CC3CCCCC3)nc(=O)c2c1C ZINC000044714833 821648604 /nfs/dbraw/zinc/64/86/04/821648604.db2.gz WLPYTYJLDCJJKE-ZDUSSCGKSA-N 1 1 391.537 4.043 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)ccc1F ZINC000181182948 821682825 /nfs/dbraw/zinc/68/28/25/821682825.db2.gz XQKRFKPOLFOVPE-JXFKEZNVSA-N 1 1 381.451 4.442 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1[nH]c2ccc(F)cc2c1Cl)[NH+](C)C ZINC000045014315 821691006 /nfs/dbraw/zinc/69/10/06/821691006.db2.gz OTYNJTSHLPVPRS-MRXNPFEDSA-N 1 1 389.858 4.002 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc3c(c2)CCCO3)o1 ZINC000181228541 821707506 /nfs/dbraw/zinc/70/75/06/821707506.db2.gz UWADVDCUEMOBFZ-JOCHJYFZSA-N 1 1 377.440 4.270 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(Br)c2OC)cc1OC ZINC000181261520 821722967 /nfs/dbraw/zinc/72/29/67/821722967.db2.gz KNKXQMQFBXBKKM-LLVKDONJSA-N 1 1 398.272 4.465 20 0 GIADMO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181293964 821740096 /nfs/dbraw/zinc/74/00/96/821740096.db2.gz DPNDAZFSZYUVRQ-ZBFHGGJFSA-N 1 1 380.496 4.093 20 0 GIADMO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181293964 821740100 /nfs/dbraw/zinc/74/01/00/821740100.db2.gz DPNDAZFSZYUVRQ-ZBFHGGJFSA-N 1 1 380.496 4.093 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000181302609 821744677 /nfs/dbraw/zinc/74/46/77/821744677.db2.gz KTUOPLISRIVXNX-AAEUAGOBSA-N 1 1 379.430 4.361 20 0 GIADMO CCCc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1 ZINC000181318710 821756109 /nfs/dbraw/zinc/75/61/09/821756109.db2.gz YDHRMNUZRDPWJM-OALUTQOASA-N 1 1 394.563 4.208 20 0 GIADMO CCCc1c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1 ZINC000181318726 821756206 /nfs/dbraw/zinc/75/62/06/821756206.db2.gz YDHRMNUZRDPWJM-MOPGFXCFSA-N 1 1 394.563 4.208 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1nnc(-c2ccccc2)o1 ZINC000181339242 821770361 /nfs/dbraw/zinc/77/03/61/821770361.db2.gz JVOYYPZDBZGXFH-HOTGVXAUSA-N 1 1 376.460 4.275 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Br)c3ccccc23)C1 ZINC000181373080 821793774 /nfs/dbraw/zinc/79/37/74/821793774.db2.gz HQQSLADFHXHKGD-AWEZNQCLSA-N 1 1 390.325 4.408 20 0 GIADMO C[C@@H]([NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000181376415 821794411 /nfs/dbraw/zinc/79/44/11/821794411.db2.gz AKCAKRYHEYZXTK-LLVKDONJSA-N 1 1 381.789 4.185 20 0 GIADMO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000181393477 821804072 /nfs/dbraw/zinc/80/40/72/821804072.db2.gz SNJJEEOLXWPPOZ-ZBEGNZNMSA-N 1 1 384.701 4.495 20 0 GIADMO COCCc1nc(C)c([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000181417311 821814824 /nfs/dbraw/zinc/81/48/24/821814824.db2.gz GGWQRYQEOUVYGC-BRIRTLKKSA-N 1 1 399.604 4.487 20 0 GIADMO COCCc1nc(C)c([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000181417311 821814832 /nfs/dbraw/zinc/81/48/32/821814832.db2.gz GGWQRYQEOUVYGC-BRIRTLKKSA-N 1 1 399.604 4.487 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000181420589 821817210 /nfs/dbraw/zinc/81/72/10/821817210.db2.gz QHIYZSUHLRYADG-UHFFFAOYSA-N 1 1 376.932 4.008 20 0 GIADMO COCCC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(Br)cc1 ZINC000181422700 821819115 /nfs/dbraw/zinc/81/91/15/821819115.db2.gz BUSVJZQZDVRBTN-SCLBCKFNSA-N 1 1 380.330 4.169 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181427414 821821098 /nfs/dbraw/zinc/82/10/98/821821098.db2.gz QQYXCKBXHWKGLN-BFUOFWGJSA-N 1 1 396.865 4.115 20 0 GIADMO CCc1ccc([C@H]([NH2+][C@@H](C)c2cccnc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181428134 821821767 /nfs/dbraw/zinc/82/17/67/821821767.db2.gz MUMLXWDEFVCILM-SBUREZEXSA-N 1 1 394.540 4.488 20 0 GIADMO COCCc1nc(C)c([C@@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431950 821823529 /nfs/dbraw/zinc/82/35/29/821823529.db2.gz FATOSBCDZMBIHO-HLIPFELVSA-N 1 1 387.593 4.344 20 0 GIADMO COCCc1nc(C)c([C@@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431950 821823537 /nfs/dbraw/zinc/82/35/37/821823537.db2.gz FATOSBCDZMBIHO-HLIPFELVSA-N 1 1 387.593 4.344 20 0 GIADMO COc1ccc(-c2ncc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)s2)cc1 ZINC000181433632 821825055 /nfs/dbraw/zinc/82/50/55/821825055.db2.gz UHNNQAAWJIOJER-WBVHZDCISA-N 1 1 399.560 4.202 20 0 GIADMO C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181445865 821829623 /nfs/dbraw/zinc/82/96/23/821829623.db2.gz UNKHAXJRWFGFMI-GHTZIAJQSA-N 1 1 393.531 4.043 20 0 GIADMO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181446720 821829834 /nfs/dbraw/zinc/82/98/34/821829834.db2.gz PGQQICNBEAOSRW-ZBFHGGJFSA-N 1 1 387.549 4.023 20 0 GIADMO C[N@H+](Cc1ncc(-c2ccccc2Br)o1)C[C@H]1CCCC[C@@H]1O ZINC000181452789 821832547 /nfs/dbraw/zinc/83/25/47/821832547.db2.gz BXODHEPEQDAXIX-CJNGLKHVSA-N 1 1 379.298 4.087 20 0 GIADMO Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C)CCc2ccncc2)c2ccccc2)cc1 ZINC000181459919 821835795 /nfs/dbraw/zinc/83/57/95/821835795.db2.gz VMJAAIZYZPROKO-JWQCQUIFSA-N 1 1 390.527 4.031 20 0 GIADMO C[N@H+](Cc1ncc(-c2cccc(Br)c2)o1)C[C@@H]1CCCC[C@@H]1O ZINC000181461637 821836953 /nfs/dbraw/zinc/83/69/53/821836953.db2.gz HDBJTBAISCQYFC-HOCLYGCPSA-N 1 1 379.298 4.087 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c(Br)c1 ZINC000181468439 821839794 /nfs/dbraw/zinc/83/97/94/821839794.db2.gz MCFOGOHNHIOSBA-CQSZACIVSA-N 1 1 390.325 4.304 20 0 GIADMO C[C@H](NC(=O)CCc1cc(Br)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181471061 821841317 /nfs/dbraw/zinc/84/13/17/821841317.db2.gz MHRQDLBTZUNZCC-UONOGXRCSA-N 1 1 399.398 4.212 20 0 GIADMO C[N@@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000181479534 821844664 /nfs/dbraw/zinc/84/46/64/821844664.db2.gz UYHAXLHNJOWCPK-YGRLFVJLSA-N 1 1 379.715 4.068 20 0 GIADMO C[N@H+](CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000181479534 821844673 /nfs/dbraw/zinc/84/46/73/821844673.db2.gz UYHAXLHNJOWCPK-YGRLFVJLSA-N 1 1 379.715 4.068 20 0 GIADMO C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181486218 821848165 /nfs/dbraw/zinc/84/81/65/821848165.db2.gz DARBMSUMBNWQOX-IAGOWNOFSA-N 1 1 378.944 4.268 20 0 GIADMO O=C(CCc1ccco1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181493491 821852024 /nfs/dbraw/zinc/85/20/24/821852024.db2.gz KKEVGPKPBSROLQ-UHFFFAOYSA-N 1 1 381.303 4.300 20 0 GIADMO C[C@@H](NC(=O)CCCc1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181498699 821855195 /nfs/dbraw/zinc/85/51/95/821855195.db2.gz IFFCIOJIHKRBMH-SJORKVTESA-N 1 1 385.577 4.388 20 0 GIADMO CN(C)C(=O)c1cccc(C[NH2+]C(C)(C)c2ccccc2Br)c1 ZINC000181523425 821866041 /nfs/dbraw/zinc/86/60/41/821866041.db2.gz QPSQUYKRUFLZDO-UHFFFAOYSA-N 1 1 375.310 4.176 20 0 GIADMO C[C@@H](NC(=O)CSCc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181533265 821870724 /nfs/dbraw/zinc/87/07/24/821870724.db2.gz BBOIOMMTBUHDES-NVXWUHKLSA-N 1 1 380.985 4.342 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2OC)c(Br)c1 ZINC000181536031 821872004 /nfs/dbraw/zinc/87/20/04/821872004.db2.gz IRAPRFBLBHCBSU-LBPRGKRZSA-N 1 1 380.282 4.326 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Br)c2)C2CC2)n1 ZINC000181618658 821906173 /nfs/dbraw/zinc/90/61/73/821906173.db2.gz WRGPPGDKWGODBJ-IAQYHMDHSA-N 1 1 394.338 4.282 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181649707 821922038 /nfs/dbraw/zinc/92/20/38/821922038.db2.gz PNMSHXLOKQWWJC-GOSISDBHSA-N 1 1 375.375 4.039 20 0 GIADMO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1nc(C2CCCC2)no1 ZINC000181653140 821924137 /nfs/dbraw/zinc/92/41/37/821924137.db2.gz ZPPXNEBBBXHMIL-UHFFFAOYSA-N 1 1 384.402 4.088 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000181657357 821926933 /nfs/dbraw/zinc/92/69/33/821926933.db2.gz OQCWNRSYKYDBPB-INIZCTEOSA-N 1 1 386.801 4.275 20 0 GIADMO C[C@@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181665939 821932678 /nfs/dbraw/zinc/93/26/78/821932678.db2.gz OZYKUWXEMCQGTB-UYAOXDASSA-N 1 1 395.547 4.434 20 0 GIADMO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670512 821935488 /nfs/dbraw/zinc/93/54/88/821935488.db2.gz IWVNXVXUDGWNHY-MDZRGWNJSA-N 1 1 378.944 4.267 20 0 GIADMO COc1ccc(-c2cncc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)cc1 ZINC000181670668 821936542 /nfs/dbraw/zinc/93/65/42/821936542.db2.gz BGVIHFJBVVCCHE-IEBWSBKVSA-N 1 1 393.531 4.140 20 0 GIADMO CSc1c(F)cc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1F ZINC000181673071 821937010 /nfs/dbraw/zinc/93/70/10/821937010.db2.gz NXFXKEIBAFOFHS-UHFFFAOYSA-N 1 1 377.460 4.245 20 0 GIADMO C[C@H]1C[C@@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000181737008 821969537 /nfs/dbraw/zinc/96/95/37/821969537.db2.gz XHRXTFBAWITPRL-REWPJTCUSA-N 1 1 399.623 4.256 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000181748498 821975049 /nfs/dbraw/zinc/97/50/49/821975049.db2.gz ZFSNBBAFISXTBN-JOCHJYFZSA-N 1 1 379.548 4.178 20 0 GIADMO Cc1sc(NC(=O)C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c(C)c1C ZINC000181822779 822006781 /nfs/dbraw/zinc/00/67/81/822006781.db2.gz KJVNYYQDOCCBBG-SFHVURJKSA-N 1 1 388.533 4.284 20 0 GIADMO COc1cccc2cc([C@@H](C)NCc3ccccc3C[NH+]3CCC(O)CC3)oc21 ZINC000181861250 822019243 /nfs/dbraw/zinc/01/92/43/822019243.db2.gz QDSFIOHBXREZEI-QGZVFWFLSA-N 1 1 394.515 4.249 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000181882987 822025913 /nfs/dbraw/zinc/02/59/13/822025913.db2.gz ABRWEQLAFZVMGW-VKJFTORMSA-N 1 1 385.474 4.008 20 0 GIADMO CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000181893042 822029025 /nfs/dbraw/zinc/02/90/25/822029025.db2.gz XAKCCMJZQWHADQ-UHFFFAOYSA-N 1 1 399.988 4.151 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)co2)cc1 ZINC000181921508 822036893 /nfs/dbraw/zinc/03/68/93/822036893.db2.gz GQWRPTZWGAWCCC-INIZCTEOSA-N 1 1 389.459 4.172 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc(Cl)cc(Cl)n1 ZINC000181925860 822037615 /nfs/dbraw/zinc/03/76/15/822037615.db2.gz MQADZVWMHBZXKP-UHFFFAOYSA-N 1 1 382.316 4.190 20 0 GIADMO C[N@@H+](CCCc1ccccc1Br)Cc1ccc([S@](C)=O)cc1 ZINC000181960668 822046908 /nfs/dbraw/zinc/04/69/08/822046908.db2.gz FDEPGVSWHJKYFR-QFIPXVFZSA-N 1 1 380.351 4.251 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000181974821 822049986 /nfs/dbraw/zinc/04/99/86/822049986.db2.gz JNLMTWBGKOEWCI-LLVKDONJSA-N 1 1 383.236 4.325 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000181982617 822052515 /nfs/dbraw/zinc/05/25/15/822052515.db2.gz JSBUJUWQKFVSDU-FOIQADDNSA-N 1 1 388.458 4.378 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000181988548 822055095 /nfs/dbraw/zinc/05/50/95/822055095.db2.gz WJQLBXORDPNCRI-RNFRBKRXSA-N 1 1 394.290 4.338 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2Br)cc1F ZINC000182003558 822059263 /nfs/dbraw/zinc/05/92/63/822059263.db2.gz SVHJBPPULCAIPQ-LLVKDONJSA-N 1 1 398.272 4.465 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)c(Br)c1 ZINC000182006219 822060176 /nfs/dbraw/zinc/06/01/76/822060176.db2.gz ILMGTVUFVPKYGS-VERVWZFWSA-N 1 1 382.323 4.046 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000182021580 822065331 /nfs/dbraw/zinc/06/53/31/822065331.db2.gz VRAFBGKZPYHVKZ-CLCXKQKWSA-N 1 1 391.357 4.029 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000182021618 822065408 /nfs/dbraw/zinc/06/54/08/822065408.db2.gz VRAFBGKZPYHVKZ-SPYBWZPUSA-N 1 1 391.357 4.029 20 0 GIADMO COc1cccc(-c2nc(C[NH2+][C@H](C)c3ccc(-n4ccnn4)cc3)cs2)c1 ZINC000182026305 822066804 /nfs/dbraw/zinc/06/68/04/822066804.db2.gz MKRVGRWUKSQPIK-OAHLLOKOSA-N 1 1 391.500 4.250 20 0 GIADMO Cc1cc(C)c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(Cl)n1 ZINC000182065479 822079639 /nfs/dbraw/zinc/07/96/39/822079639.db2.gz KMXUWKQXNWQKOA-PBHICJAKSA-N 1 1 377.941 4.226 20 0 GIADMO C[S@@](=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1Br)c1ccccc1 ZINC000182109071 822097238 /nfs/dbraw/zinc/09/72/38/822097238.db2.gz PKZSATSMGQNXRW-HRAATJIYSA-N 1 1 386.742 4.312 20 0 GIADMO Fc1cccc(Cl)c1C[NH+]1CCC(Nc2cnn(Cc3ccncc3)c2)CC1 ZINC000182133002 822110584 /nfs/dbraw/zinc/11/05/84/822110584.db2.gz UZMGORSDVFGSAY-UHFFFAOYSA-N 1 1 399.901 4.195 20 0 GIADMO CCCC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000182143258 822114712 /nfs/dbraw/zinc/11/47/12/822114712.db2.gz MEFHTHSWWLUSFL-LBPRGKRZSA-N 1 1 380.838 4.170 20 0 GIADMO C[C@@H](C1CC1)N(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182173634 822131615 /nfs/dbraw/zinc/13/16/15/822131615.db2.gz IJSXEXQXGFUBMC-ZDUSSCGKSA-N 1 1 384.351 4.398 20 0 GIADMO Clc1ccc(-c2cc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)on2)cc1 ZINC000182183590 822136616 /nfs/dbraw/zinc/13/66/16/822136616.db2.gz CXHLGGVVYONRKS-QFIPXVFZSA-N 1 1 397.906 4.158 20 0 GIADMO Clc1ccc(-c2cc(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)on2)cc1 ZINC000182183572 822136636 /nfs/dbraw/zinc/13/66/36/822136636.db2.gz CXHLGGVVYONRKS-JOCHJYFZSA-N 1 1 397.906 4.158 20 0 GIADMO COc1ccc([C@H](C)NCc2ccc3c(c2)OCO3)cc1C[NH+]1CCCCC1 ZINC000182192388 822140311 /nfs/dbraw/zinc/14/03/11/822140311.db2.gz FRRYKPQZAOXAEE-KRWDZBQOSA-N 1 1 382.504 4.261 20 0 GIADMO CC(C)[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(F)c1 ZINC000182202658 822145281 /nfs/dbraw/zinc/14/52/81/822145281.db2.gz NNBPIUMBBINWNH-RTWAWAEBSA-N 1 1 387.474 4.224 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000182224404 822155659 /nfs/dbraw/zinc/15/56/59/822155659.db2.gz CHGUYFRMCARDEN-INIZCTEOSA-N 1 1 378.492 4.486 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)sc1Cl ZINC000182268692 822179929 /nfs/dbraw/zinc/17/99/29/822179929.db2.gz OCKWMDJBJQYYQV-WFASDCNBSA-N 1 1 385.360 4.472 20 0 GIADMO Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182272232 822181351 /nfs/dbraw/zinc/18/13/51/822181351.db2.gz YPIKTYKMMCWCHC-APWZRJJASA-N 1 1 390.474 4.014 20 0 GIADMO Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182272232 822181355 /nfs/dbraw/zinc/18/13/55/822181355.db2.gz YPIKTYKMMCWCHC-APWZRJJASA-N 1 1 390.474 4.014 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NCc2cn(C)nc2-c2ccccc2)cc1)C(C)C ZINC000182294307 822190584 /nfs/dbraw/zinc/19/05/84/822190584.db2.gz RZXWACMBBXRWMS-UHFFFAOYSA-N 1 1 390.531 4.247 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 ZINC000182304899 822195301 /nfs/dbraw/zinc/19/53/01/822195301.db2.gz DHOIVSFQIYOQPG-XMSQKQJNSA-N 1 1 395.551 4.078 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1cccc(-c2csc(C)n2)c1)c1c(C)noc1C ZINC000182396568 822228448 /nfs/dbraw/zinc/22/84/48/822228448.db2.gz CMAFKHGWJIQHQL-KRWDZBQOSA-N 1 1 384.505 4.403 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(OC)c(F)c3)co2)cc1 ZINC000182421162 822236642 /nfs/dbraw/zinc/23/66/42/822236642.db2.gz GAPPYDVUOGQXFF-ZDUSSCGKSA-N 1 1 384.407 4.127 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1c(C)noc1C ZINC000182422658 822237258 /nfs/dbraw/zinc/23/72/58/822237258.db2.gz YIFZTMNDTCKZPX-INIZCTEOSA-N 1 1 384.307 4.298 20 0 GIADMO COc1cc(OC)c([C@H](C)[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1Cl ZINC000177948193 822253903 /nfs/dbraw/zinc/25/39/03/822253903.db2.gz WSVAGJRXKWFOAM-HNNXBMFYSA-N 1 1 385.895 4.453 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+](CC)Cc1cnn(C)c1 ZINC000177951721 822255403 /nfs/dbraw/zinc/25/54/03/822255403.db2.gz FQXGYULITMFBSV-UHFFFAOYSA-N 1 1 390.959 4.439 20 0 GIADMO COCc1ccsc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000182476766 822257436 /nfs/dbraw/zinc/25/74/36/822257436.db2.gz HAVWVQTWAQRPSH-UYAOXDASSA-N 1 1 384.545 4.021 20 0 GIADMO COc1ccc([C@@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1NC(C)=O ZINC000177979155 822267322 /nfs/dbraw/zinc/26/73/22/822267322.db2.gz DOXSGARMGATSLK-QGZVFWFLSA-N 1 1 383.536 4.345 20 0 GIADMO COc1ccc([C@@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1NC(C)=O ZINC000177979155 822267334 /nfs/dbraw/zinc/26/73/34/822267334.db2.gz DOXSGARMGATSLK-QGZVFWFLSA-N 1 1 383.536 4.345 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)C1 ZINC000178019135 822284360 /nfs/dbraw/zinc/28/43/60/822284360.db2.gz ONAGZADHPWRKRJ-HXUWFJFHSA-N 1 1 380.536 4.129 20 0 GIADMO COC[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000182532207 822286397 /nfs/dbraw/zinc/28/63/97/822286397.db2.gz WJKMHXMAQNHCMX-INIZCTEOSA-N 1 1 375.337 4.383 20 0 GIADMO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)cc1CN1CCCCC1 ZINC000182537900 822289675 /nfs/dbraw/zinc/28/96/75/822289675.db2.gz XOUKEQKAWROMNB-AVRDEDQJSA-N 1 1 398.547 4.074 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCc3cccc(C)c3)c2)C1 ZINC000178035180 822292110 /nfs/dbraw/zinc/29/21/10/822292110.db2.gz GHRHFXIKFQFTAD-HXUWFJFHSA-N 1 1 381.520 4.380 20 0 GIADMO CC(=O)Nc1cc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc(C(F)(F)F)c1 ZINC000178049121 822300315 /nfs/dbraw/zinc/30/03/15/822300315.db2.gz JUIDNURZJSGHNP-UHFFFAOYSA-N 1 1 399.457 4.000 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1)c1ccccc1 ZINC000178056284 822303947 /nfs/dbraw/zinc/30/39/47/822303947.db2.gz SQQDPTKJMZKSCK-MRXNPFEDSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1)c1ccccc1 ZINC000178056284 822303958 /nfs/dbraw/zinc/30/39/58/822303958.db2.gz SQQDPTKJMZKSCK-MRXNPFEDSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1)c1ccccc1 ZINC000178063156 822306135 /nfs/dbraw/zinc/30/61/35/822306135.db2.gz AMYHANJEJAGWSS-QGZVFWFLSA-N 1 1 377.463 4.016 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182601138 822318806 /nfs/dbraw/zinc/31/88/06/822318806.db2.gz SDDSRAHXNYPUSS-IBGZPJMESA-N 1 1 388.389 4.120 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182601138 822318814 /nfs/dbraw/zinc/31/88/14/822318814.db2.gz SDDSRAHXNYPUSS-IBGZPJMESA-N 1 1 388.389 4.120 20 0 GIADMO CC[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cc(F)ccc1F ZINC000182659382 822342368 /nfs/dbraw/zinc/34/23/68/822342368.db2.gz HGTIKCSXUWRRFX-MDOVXXIYSA-N 1 1 379.495 4.368 20 0 GIADMO CCCNC(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC000178176632 822343131 /nfs/dbraw/zinc/34/31/31/822343131.db2.gz MEPJHQZWLSNDPB-HNNXBMFYSA-N 1 1 391.943 4.073 20 0 GIADMO O=C(NCc1ccc(Oc2ccccc2)nc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178177248 822343466 /nfs/dbraw/zinc/34/34/66/822343466.db2.gz CYZBBZSNXRIEKD-LJQANCHMSA-N 1 1 379.504 4.145 20 0 GIADMO Cc1cc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccc(C(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000178186815 822346101 /nfs/dbraw/zinc/34/61/01/822346101.db2.gz QIMKKHWSDZIYFE-YADHBBJMSA-N 1 1 392.547 4.106 20 0 GIADMO CN(C)C(=O)Sc1ccccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178189931 822347383 /nfs/dbraw/zinc/34/73/83/822347383.db2.gz WLHDISBRVKOQTP-OAHLLOKOSA-N 1 1 375.538 4.053 20 0 GIADMO O=S1(=O)CCC[C@@H]([NH2+]C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000182673462 822347473 /nfs/dbraw/zinc/34/74/73/822347473.db2.gz BCAYFJKAIWZHGS-QGZVFWFLSA-N 1 1 384.328 4.250 20 0 GIADMO COCCC[C@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000182683519 822350608 /nfs/dbraw/zinc/35/06/08/822350608.db2.gz OVCNBSCIMBMSDC-KYNGSXCRSA-N 1 1 384.923 4.182 20 0 GIADMO COCCC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000182683519 822350620 /nfs/dbraw/zinc/35/06/20/822350620.db2.gz OVCNBSCIMBMSDC-KYNGSXCRSA-N 1 1 384.923 4.182 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182701077 822355103 /nfs/dbraw/zinc/35/51/03/822355103.db2.gz MHQFGLFZMRZGOU-NVXWUHKLSA-N 1 1 378.488 4.024 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000178244956 822358007 /nfs/dbraw/zinc/35/80/07/822358007.db2.gz CTUZTBJPLUIZID-IYBDPMFKSA-N 1 1 398.469 4.057 20 0 GIADMO CC(=O)N(Cc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1)C(C)C ZINC000178248278 822358422 /nfs/dbraw/zinc/35/84/22/822358422.db2.gz SYBJOWRJCBFMLY-FQEVSTJZSA-N 1 1 385.552 4.037 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000182750814 822362065 /nfs/dbraw/zinc/36/20/65/822362065.db2.gz ANLMIVHZCVZKRK-GOSISDBHSA-N 1 1 395.503 4.040 20 0 GIADMO C[C@@H](NC(=O)NCc1cccc(-c2ccccn2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182759897 822363682 /nfs/dbraw/zinc/36/36/82/822363682.db2.gz QCARTUNSDFVPMR-NQIIRXRSSA-N 1 1 392.547 4.201 20 0 GIADMO CC[N@H+](c1ccc(N[C@H](C)c2cccc(S(=O)(=O)NC)c2)cc1)C(C)C ZINC000182771931 822365063 /nfs/dbraw/zinc/36/50/63/822365063.db2.gz RRUSEALECBQGQZ-MRXNPFEDSA-N 1 1 375.538 4.003 20 0 GIADMO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC)CC[N@H+]1Cc1ccccc1 ZINC000453452587 822365954 /nfs/dbraw/zinc/36/59/54/822365954.db2.gz PYJXWRNWUYKYEV-NHCUHLMSSA-N 1 1 397.567 4.031 20 0 GIADMO C[C@H](CNC(=O)N[C@H](c1ccco1)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000045154296 822366734 /nfs/dbraw/zinc/36/67/34/822366734.db2.gz CQBNDDYFBZIACL-IERDGZPVSA-N 1 1 395.528 4.177 20 0 GIADMO C[C@H](CNC(=O)N[C@H](c1ccco1)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000045154296 822366738 /nfs/dbraw/zinc/36/67/38/822366738.db2.gz CQBNDDYFBZIACL-IERDGZPVSA-N 1 1 395.528 4.177 20 0 GIADMO C[C@@H](CNC(=O)N[C@@H](c1ccco1)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000045154298 822366824 /nfs/dbraw/zinc/36/68/24/822366824.db2.gz CQBNDDYFBZIACL-HRAATJIYSA-N 1 1 395.528 4.177 20 0 GIADMO C[C@@H](CNC(=O)N[C@@H](c1ccco1)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000045154298 822366829 /nfs/dbraw/zinc/36/68/29/822366829.db2.gz CQBNDDYFBZIACL-HRAATJIYSA-N 1 1 395.528 4.177 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000182817202 822372248 /nfs/dbraw/zinc/37/22/48/822372248.db2.gz CAZRPAUIGSKZFX-UHFFFAOYSA-N 1 1 376.460 4.206 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182828020 822374070 /nfs/dbraw/zinc/37/40/70/822374070.db2.gz SUPAEZZFBFMDMP-HOTGVXAUSA-N 1 1 394.441 4.183 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182828020 822374074 /nfs/dbraw/zinc/37/40/74/822374074.db2.gz SUPAEZZFBFMDMP-HOTGVXAUSA-N 1 1 394.441 4.183 20 0 GIADMO C[C@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182845474 822377492 /nfs/dbraw/zinc/37/74/92/822377492.db2.gz XBPPOQKUUVNTAI-FPOVZHCZSA-N 1 1 399.579 4.030 20 0 GIADMO O=C(Nc1c(F)cc(Cl)cc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000182847628 822377968 /nfs/dbraw/zinc/37/79/68/822377968.db2.gz BSIJJCUISHDACL-UHFFFAOYSA-N 1 1 379.838 4.010 20 0 GIADMO O=C(Nc1cccc(OC2CCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178436709 822378891 /nfs/dbraw/zinc/37/88/91/822378891.db2.gz BEUCQKMCGBBXFK-JTSKRJEESA-N 1 1 383.536 4.489 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)CCc1ccc(O)cc1 ZINC000045380508 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GIADMO C[C@H](NC(=O)N1CCc2ccc(Cl)cc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182897232 822388282 /nfs/dbraw/zinc/38/82/82/822388282.db2.gz MLFNKSQAPMAPFT-RDJZCZTQSA-N 1 1 375.944 4.061 20 0 GIADMO CCCNC(=O)c1cccc(C[NH2+]Cc2sc(C)cc2Br)c1 ZINC000453586960 822388998 /nfs/dbraw/zinc/38/89/98/822388998.db2.gz KCMYMEMQTKILGI-UHFFFAOYSA-N 1 1 381.339 4.249 20 0 GIADMO Cc1cc(Br)c(C[NH2+]Cc2ccncc2OCC(F)F)s1 ZINC000453605354 822391748 /nfs/dbraw/zinc/39/17/48/822391748.db2.gz WLOAVRQKIGMGKR-UHFFFAOYSA-N 1 1 377.254 4.148 20 0 GIADMO CCC(CC)c1nnc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000182919143 822392818 /nfs/dbraw/zinc/39/28/18/822392818.db2.gz MGLJCGVCXYLIRK-UKRRQHHQSA-N 1 1 379.574 4.216 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182924518 822393585 /nfs/dbraw/zinc/39/35/85/822393585.db2.gz ZVAYHUVHBRVLHN-HOTGVXAUSA-N 1 1 386.565 4.091 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+](Cc2cnn(C)c2)CC(C)C)c1 ZINC000453630954 822395658 /nfs/dbraw/zinc/39/56/58/822395658.db2.gz ZZMDFEIJCUSSLD-UHFFFAOYSA-N 1 1 394.519 4.061 20 0 GIADMO CC(C)[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000178613603 822396116 /nfs/dbraw/zinc/39/61/16/822396116.db2.gz CAMBXOPZHVTQLA-IBGZPJMESA-N 1 1 386.458 4.021 20 0 GIADMO CCN(Cc1c(F)cccc1F)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182953956 822399194 /nfs/dbraw/zinc/39/91/94/822399194.db2.gz WGXFDIZROYUCBC-HZPDHXFCSA-N 1 1 379.495 4.149 20 0 GIADMO c1ccc(C[N@@H+]2CCC[C@H]3CN(Cc4nnc(-c5ccccc5)o4)CC[C@@H]32)cc1 ZINC000178648471 822399327 /nfs/dbraw/zinc/39/93/27/822399327.db2.gz FULPJLDJULXBSF-VXKWHMMOSA-N 1 1 388.515 4.223 20 0 GIADMO c1ccc(C[N@@H+]2CCC[C@@H]3CN(Cc4nnc(-c5ccccc5)o4)CC[C@@H]32)cc1 ZINC000178648489 822399358 /nfs/dbraw/zinc/39/93/58/822399358.db2.gz FULPJLDJULXBSF-YADHBBJMSA-N 1 1 388.515 4.223 20 0 GIADMO Cc1ccc(N[C@@H](C)c2ccc3c(c2)OCO3)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182966692 822401158 /nfs/dbraw/zinc/40/11/58/822401158.db2.gz JYZSLLFJTPTJAQ-KRWDZBQOSA-N 1 1 395.503 4.321 20 0 GIADMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(C)n1Cc1ccco1 ZINC000178669132 822401375 /nfs/dbraw/zinc/40/13/75/822401375.db2.gz KJWKQTKJHSAEHG-QFIPXVFZSA-N 1 1 377.488 4.469 20 0 GIADMO Cc1cc(C(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)c(C)n1Cc1ccco1 ZINC000178669132 822401377 /nfs/dbraw/zinc/40/13/77/822401377.db2.gz KJWKQTKJHSAEHG-QFIPXVFZSA-N 1 1 377.488 4.469 20 0 GIADMO C[C@H](Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000182972614 822402434 /nfs/dbraw/zinc/40/24/34/822402434.db2.gz GERXYMPZUVMFST-MSOLQXFVSA-N 1 1 376.508 4.210 20 0 GIADMO Cc1cc([C@@H](C)[NH2+]Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)c(C)s1 ZINC000182977752 822403290 /nfs/dbraw/zinc/40/32/90/822403290.db2.gz QWXDOAISOAXUEZ-CYBMUJFWSA-N 1 1 388.562 4.050 20 0 GIADMO Cc1cc([C@@H](C)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c(C)s1 ZINC000182990265 822406728 /nfs/dbraw/zinc/40/67/28/822406728.db2.gz PPRVDZKZJMWCAV-LLVKDONJSA-N 1 1 381.427 4.210 20 0 GIADMO Fc1ccc(C2([NH2+]Cc3ccn(-c4c(F)cccc4F)n3)CCOCC2)cc1 ZINC000178763514 822408159 /nfs/dbraw/zinc/40/81/59/822408159.db2.gz HABYQBDFJQLBQX-UHFFFAOYSA-N 1 1 387.405 4.085 20 0 GIADMO CN(Cc1ccccc1)Cc1cccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000178769527 822408549 /nfs/dbraw/zinc/40/85/49/822408549.db2.gz UIRDWLYUPXCDTE-UHFFFAOYSA-N 1 1 393.575 4.169 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2sc(C)nc2C)CC1 ZINC000178770527 822408567 /nfs/dbraw/zinc/40/85/67/822408567.db2.gz RQUXDZYHBPWTCT-GJZGRUSLSA-N 1 1 390.572 4.453 20 0 GIADMO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178770527 822408571 /nfs/dbraw/zinc/40/85/71/822408571.db2.gz RQUXDZYHBPWTCT-GJZGRUSLSA-N 1 1 390.572 4.453 20 0 GIADMO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1cccc(C2CC2)c1 ZINC000453773022 822408883 /nfs/dbraw/zinc/40/88/83/822408883.db2.gz DQNMJFRPJJCDMF-CQSZACIVSA-N 1 1 399.922 4.095 20 0 GIADMO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1cccc(C2CC2)c1 ZINC000453773020 822408973 /nfs/dbraw/zinc/40/89/73/822408973.db2.gz DQNMJFRPJJCDMF-AWEZNQCLSA-N 1 1 399.922 4.095 20 0 GIADMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1C(F)(F)F ZINC000183002741 822409090 /nfs/dbraw/zinc/40/90/90/822409090.db2.gz QILKSBJZNPTIIX-IFXJQAMLSA-N 1 1 391.437 4.328 20 0 GIADMO Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c(C)c1O ZINC000178793491 822410381 /nfs/dbraw/zinc/41/03/81/822410381.db2.gz PHGDKQGXEFDWJX-HXUWFJFHSA-N 1 1 392.421 4.402 20 0 GIADMO C[C@H]1C[C@@H](Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c2ccsc2S1 ZINC000183011479 822410999 /nfs/dbraw/zinc/41/09/99/822410999.db2.gz FRSYZOIPQKBPNO-MORSLUCNSA-N 1 1 387.574 4.235 20 0 GIADMO CCN(Cc1ccncc1)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000045778593 822412562 /nfs/dbraw/zinc/41/25/62/822412562.db2.gz YYLJGZSSTDWCCS-LJQANCHMSA-N 1 1 380.536 4.188 20 0 GIADMO COc1ccc(CN(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000045780256 822412769 /nfs/dbraw/zinc/41/27/69/822412769.db2.gz DLJIELROLXGLGV-LJQANCHMSA-N 1 1 395.547 4.411 20 0 GIADMO Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)on1 ZINC000045788121 822413699 /nfs/dbraw/zinc/41/36/99/822413699.db2.gz GNPUXTUVCNPJQP-LAUBAEHRSA-N 1 1 396.535 4.262 20 0 GIADMO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000045789194 822414060 /nfs/dbraw/zinc/41/40/60/822414060.db2.gz OOBUISRFSTYFRI-IBGZPJMESA-N 1 1 395.547 4.269 20 0 GIADMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000178839425 822415306 /nfs/dbraw/zinc/41/53/06/822415306.db2.gz SINIEYGJIAUWEQ-LJQANCHMSA-N 1 1 394.515 4.346 20 0 GIADMO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)Cn1nc(C(F)(F)F)ccc1=O ZINC000178886223 822419178 /nfs/dbraw/zinc/41/91/78/822419178.db2.gz ULGCKQOTQNWLDJ-KRWDZBQOSA-N 1 1 381.442 4.343 20 0 GIADMO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)Cn1nc(C(F)(F)F)ccc1=O ZINC000178886223 822419181 /nfs/dbraw/zinc/41/91/81/822419181.db2.gz ULGCKQOTQNWLDJ-KRWDZBQOSA-N 1 1 381.442 4.343 20 0 GIADMO CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2)C1CCCC1 ZINC000454030638 822423701 /nfs/dbraw/zinc/42/37/01/822423701.db2.gz LXCIFKGJXLUYMY-OXQOHEQNSA-N 1 1 385.552 4.070 20 0 GIADMO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000183102552 822424585 /nfs/dbraw/zinc/42/45/85/822424585.db2.gz SGHYGRRDVILPTB-MRXNPFEDSA-N 1 1 395.482 4.176 20 0 GIADMO CCC[N@H+](CCNC(=O)OC(C)(C)C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000178972042 822425450 /nfs/dbraw/zinc/42/54/50/822425450.db2.gz LSDPICINKDRACS-UHFFFAOYSA-N 1 1 394.903 4.127 20 0 GIADMO CCC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000178972042 822425452 /nfs/dbraw/zinc/42/54/52/822425452.db2.gz LSDPICINKDRACS-UHFFFAOYSA-N 1 1 394.903 4.127 20 0 GIADMO COc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000045958095 822426807 /nfs/dbraw/zinc/42/68/07/822426807.db2.gz CPUFQAYGZVRPGI-KRWDZBQOSA-N 1 1 397.519 4.257 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1nnc(C2CC2)s1 ZINC000045960480 822427063 /nfs/dbraw/zinc/42/70/63/822427063.db2.gz GJQNGTAFURECSD-CQSZACIVSA-N 1 1 385.537 4.112 20 0 GIADMO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183120918 822427401 /nfs/dbraw/zinc/42/74/01/822427401.db2.gz FCRMWKYCNLYKDP-GOSISDBHSA-N 1 1 399.498 4.164 20 0 GIADMO CC[C@@H](C)[N@@H+](Cc1ccc(OC)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000179006918 822429018 /nfs/dbraw/zinc/42/90/18/822429018.db2.gz QEUXSEXEIVXUCW-CQSZACIVSA-N 1 1 385.895 4.386 20 0 GIADMO CC[C@@H](C)[N@H+](Cc1ccc(OC)c(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000179006918 822429020 /nfs/dbraw/zinc/42/90/20/822429020.db2.gz QEUXSEXEIVXUCW-CQSZACIVSA-N 1 1 385.895 4.386 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000045988835 822431205 /nfs/dbraw/zinc/43/12/05/822431205.db2.gz WFPCQXUHXWPBJQ-GOSISDBHSA-N 1 1 388.556 4.305 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1-n1cccn1 ZINC000183169848 822434758 /nfs/dbraw/zinc/43/47/58/822434758.db2.gz SXDGHFZQKSNJMH-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO CCN1CC[NH+](Cc2ccc(N[C@H](C)c3ccc(OC)c(COC)c3)cc2)CC1 ZINC000183181992 822437001 /nfs/dbraw/zinc/43/70/01/822437001.db2.gz RNRRZZAIIDKWLI-LJQANCHMSA-N 1 1 397.563 4.152 20 0 GIADMO COc1cc([C@@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185315 822437457 /nfs/dbraw/zinc/43/74/57/822437457.db2.gz HKWCPJNUYKKQCL-BRWVUGGUSA-N 1 1 376.541 4.016 20 0 GIADMO COc1cc([C@@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185315 822437459 /nfs/dbraw/zinc/43/74/59/822437459.db2.gz HKWCPJNUYKKQCL-BRWVUGGUSA-N 1 1 376.541 4.016 20 0 GIADMO CC(C)(C)[NH+]1CCC(Nc2ccc(NC(=O)CN3CCCCCC3)cc2)CC1 ZINC000183188329 822438152 /nfs/dbraw/zinc/43/81/52/822438152.db2.gz OLPVXZGBTWBDQM-UHFFFAOYSA-N 1 1 386.584 4.176 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179121734 822440518 /nfs/dbraw/zinc/44/05/18/822440518.db2.gz WEQGBJUAIYSVAS-HOTGVXAUSA-N 1 1 390.934 4.428 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088491 822440637 /nfs/dbraw/zinc/44/06/37/822440637.db2.gz PRRZMKVDZVUCLN-QGZVFWFLSA-N 1 1 380.460 4.145 20 0 GIADMO CS[C@H](C)CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183201516 822440630 /nfs/dbraw/zinc/44/06/30/822440630.db2.gz RWUPNSGFKDYHBK-GFCCVEGCSA-N 1 1 390.380 4.009 20 0 GIADMO Cc1ccccc1[C@H]([NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)C(C)C ZINC000183203201 822440912 /nfs/dbraw/zinc/44/09/12/822440912.db2.gz NYKXCULYHVMWQN-HXUWFJFHSA-N 1 1 396.560 4.316 20 0 GIADMO CCC[N@@H+](Cc1cnn(CC(C)C)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000183220862 822443528 /nfs/dbraw/zinc/44/35/28/822443528.db2.gz WDZBAPPCHNDKQE-UHFFFAOYSA-N 1 1 382.552 4.056 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC000179153537 822444635 /nfs/dbraw/zinc/44/46/35/822444635.db2.gz SWTHIMNFVHXPOQ-QFIPXVFZSA-N 1 1 395.547 4.323 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(N4CCOC4=O)cc3)cc2)C1 ZINC000046156492 822445582 /nfs/dbraw/zinc/44/55/82/822445582.db2.gz RXQCVPPUADJVQC-KRWDZBQOSA-N 1 1 393.487 4.127 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@@H]3c3sccc3C)CC[N@H+]2C2CC2)c1 ZINC000183241433 822446970 /nfs/dbraw/zinc/44/69/70/822446970.db2.gz AMWCMXLLSWBVPL-UWHLTILDSA-N 1 1 396.556 4.263 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3sccc3SC)CC[N@@H+]2C2CC2)c1 ZINC000183246942 822447924 /nfs/dbraw/zinc/44/79/24/822447924.db2.gz HFFPJZCRBJBSBS-FUHWJXTLSA-N 1 1 388.558 4.186 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3sccc3SC)CC[N@H+]2C2CC2)c1 ZINC000183246942 822447926 /nfs/dbraw/zinc/44/79/26/822447926.db2.gz HFFPJZCRBJBSBS-FUHWJXTLSA-N 1 1 388.558 4.186 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)CCCc3cccs3)CC[N@H+]2C2CC2)c1 ZINC000183249413 822448376 /nfs/dbraw/zinc/44/83/76/822448376.db2.gz GCYBHAVJRFZKON-UNMCSNQZSA-N 1 1 384.545 4.174 20 0 GIADMO COc1cc(C[N@@H+](C)C[C@@H](C)c2nccs2)ccc1OCc1ccncc1 ZINC000183257763 822449214 /nfs/dbraw/zinc/44/92/14/822449214.db2.gz VBTKKGVEWYDPRV-MRXNPFEDSA-N 1 1 383.517 4.361 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000179197295 822449591 /nfs/dbraw/zinc/44/95/91/822449591.db2.gz RYEVNZROBSYLSE-KRWDZBQOSA-N 1 1 383.511 4.491 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1CC1 ZINC000454282455 822450500 /nfs/dbraw/zinc/45/05/00/822450500.db2.gz RAZYSAPBQVVIIQ-UHFFFAOYSA-N 1 1 398.473 4.302 20 0 GIADMO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000179208588 822451405 /nfs/dbraw/zinc/45/14/05/822451405.db2.gz YEGPWKAHUIMQJT-NSHDSACASA-N 1 1 397.342 4.286 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ncc(Br)s1 ZINC000179209059 822451462 /nfs/dbraw/zinc/45/14/62/822451462.db2.gz HVSDMCQBRXPEPG-LBPRGKRZSA-N 1 1 377.311 4.001 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CN[C@@H](C)c2ncc(Br)s2)cc1F ZINC000179212486 822451869 /nfs/dbraw/zinc/45/18/69/822451869.db2.gz XWCVBPGYKKMVIL-JTQLQIEISA-N 1 1 395.301 4.390 20 0 GIADMO CCC(CC)n1nc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1C ZINC000183273816 822451902 /nfs/dbraw/zinc/45/19/02/822451902.db2.gz ROSLSSZHPYADBV-UHFFFAOYSA-N 1 1 383.471 4.116 20 0 GIADMO C[C@H](Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000183281286 822452986 /nfs/dbraw/zinc/45/29/86/822452986.db2.gz ZPHBBTANFFBISW-MSOLQXFVSA-N 1 1 399.510 4.091 20 0 GIADMO CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000183291526 822454005 /nfs/dbraw/zinc/45/40/05/822454005.db2.gz HPEZMKIBDOKHAS-WDEREUQCSA-N 1 1 379.448 4.212 20 0 GIADMO C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ncc(Br)s1 ZINC000179230868 822454448 /nfs/dbraw/zinc/45/44/48/822454448.db2.gz NDWOLUNNCFHSJP-CABZTGNLSA-N 1 1 390.297 4.137 20 0 GIADMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000183300059 822455431 /nfs/dbraw/zinc/45/54/31/822455431.db2.gz BZCAYJGUNCJTRO-PKOBYXMFSA-N 1 1 387.911 4.423 20 0 GIADMO CO[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1(C)C ZINC000454306087 822455427 /nfs/dbraw/zinc/45/54/27/822455427.db2.gz HIQWQTLRPOHKNA-NQIIRXRSSA-N 1 1 387.568 4.018 20 0 GIADMO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C[C@H]1C ZINC000454323401 822457985 /nfs/dbraw/zinc/45/79/85/822457985.db2.gz UUGKBXQLEVEMLJ-XQBPLPMBSA-N 1 1 387.568 4.018 20 0 GIADMO Cc1c([C@H](C)[NH2+]CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cnn1C ZINC000183330021 822459829 /nfs/dbraw/zinc/45/98/29/822459829.db2.gz RPOMHPWDFINOBU-HNNXBMFYSA-N 1 1 397.548 4.067 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H](O)c3ccccc3)c2c1C ZINC000046341353 822463328 /nfs/dbraw/zinc/46/33/28/822463328.db2.gz OMXLAGPLACEQGP-QGZVFWFLSA-N 1 1 382.533 4.049 20 0 GIADMO C[C@@H]1CN(c2ccc(C[NH2+][C@H](c3ccco3)c3ccccc3)cn2)C[C@H](C)O1 ZINC000183358560 822463375 /nfs/dbraw/zinc/46/33/75/822463375.db2.gz JLNLIDMXXPZWAX-IXFSTUDKSA-N 1 1 377.488 4.167 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)NCc1cnc(C2CC2)o1)C1CCCCC1 ZINC000454368437 822463514 /nfs/dbraw/zinc/46/35/14/822463514.db2.gz OSXGHMFMKSMPBB-UHFFFAOYSA-N 1 1 396.535 4.316 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)NCc2ccsc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179312667 822464571 /nfs/dbraw/zinc/46/45/71/822464571.db2.gz SNFSQXWZVHOJJP-YOEHRIQHSA-N 1 1 381.904 4.033 20 0 GIADMO C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000179324296 822466120 /nfs/dbraw/zinc/46/61/20/822466120.db2.gz BLSSKKNWAAIUTH-XMSQKQJNSA-N 1 1 392.499 4.154 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454387203 822466916 /nfs/dbraw/zinc/46/69/16/822466916.db2.gz QYZZIDSQYIIOFT-MRXNPFEDSA-N 1 1 386.565 4.353 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000179348821 822469097 /nfs/dbraw/zinc/46/90/97/822469097.db2.gz WQJPEFANZBBJJS-IBGZPJMESA-N 1 1 394.563 4.210 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000179348808 822469134 /nfs/dbraw/zinc/46/91/34/822469134.db2.gz WQJPEFANZBBJJS-LJQANCHMSA-N 1 1 394.563 4.210 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000046403904 822470356 /nfs/dbraw/zinc/47/03/56/822470356.db2.gz DTZOOWWFVPMEMR-UHFFFAOYSA-N 1 1 392.330 4.317 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)CC1 ZINC000046404051 822470453 /nfs/dbraw/zinc/47/04/53/822470453.db2.gz YVHRLKDOVHLNDP-UHFFFAOYSA-N 1 1 391.487 4.396 20 0 GIADMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cnn(CC(C)C)c2)CC1 ZINC000183419168 822471555 /nfs/dbraw/zinc/47/15/55/822471555.db2.gz UWNNZHSCZQDCPB-UHFFFAOYSA-N 1 1 388.581 4.117 20 0 GIADMO O=C(NC[C@H]1CCCCC1(F)F)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000454415890 822471937 /nfs/dbraw/zinc/47/19/37/822471937.db2.gz VOXKUUPLYVPWQP-JKSUJKDBSA-N 1 1 385.524 4.085 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000046426631 822472280 /nfs/dbraw/zinc/47/22/80/822472280.db2.gz FOONEYCHDRFOQD-OTWHNJEPSA-N 1 1 398.551 4.085 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000046431460 822472420 /nfs/dbraw/zinc/47/24/20/822472420.db2.gz VVZBNEARXAWMGA-KBPBESRZSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCCSc4ccccc43)cc2)C[C@@H](C)O1 ZINC000046432509 822472699 /nfs/dbraw/zinc/47/26/99/822472699.db2.gz ZSBUFHODUUNBDI-QZTJIDSGSA-N 1 1 396.556 4.438 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000454427527 822473999 /nfs/dbraw/zinc/47/39/99/822473999.db2.gz LTZYVUUVOINTMY-QFIPXVFZSA-N 1 1 393.531 4.351 20 0 GIADMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000179381588 822474178 /nfs/dbraw/zinc/47/41/78/822474178.db2.gz DDMRYOBMWJZDQG-GOSISDBHSA-N 1 1 379.287 4.130 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C)cc1OC ZINC000183447101 822476298 /nfs/dbraw/zinc/47/62/98/822476298.db2.gz DRLISSPCUKTSHO-GFCCVEGCSA-N 1 1 380.847 4.094 20 0 GIADMO COc1ccc(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)cc1OC(F)F ZINC000179410554 822478885 /nfs/dbraw/zinc/47/88/85/822478885.db2.gz XNQVBMMKGQETOY-UHFFFAOYSA-N 1 1 387.430 4.173 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)cc1OC(F)F ZINC000179410554 822478888 /nfs/dbraw/zinc/47/88/88/822478888.db2.gz XNQVBMMKGQETOY-UHFFFAOYSA-N 1 1 387.430 4.173 20 0 GIADMO COc1cc(C)ccc1Oc1ccc(NC(=O)NCCCC[N@@H+](C)C2CC2)cn1 ZINC000454467380 822480014 /nfs/dbraw/zinc/48/00/14/822480014.db2.gz SXHKYYMLZCOKSL-UHFFFAOYSA-N 1 1 398.507 4.187 20 0 GIADMO COc1cccc([C@@H]([NH2+]Cc2cccc3nccn32)c2cc(F)ccc2OC)c1 ZINC000179428886 822481110 /nfs/dbraw/zinc/48/11/10/822481110.db2.gz FEOUXWORJZOOBP-HSZRJFAPSA-N 1 1 391.446 4.370 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC[C@@H]21 ZINC000183479566 822482315 /nfs/dbraw/zinc/48/23/15/822482315.db2.gz KDZXPPGHGMBLOH-DYVFJYSZSA-N 1 1 381.467 4.090 20 0 GIADMO Cc1ccnc(-c2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2)n1 ZINC000183483919 822483431 /nfs/dbraw/zinc/48/34/31/822483431.db2.gz JTQPKTAWGHTFAA-IEBWSBKVSA-N 1 1 393.535 4.227 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)c1 ZINC000183485074 822483612 /nfs/dbraw/zinc/48/36/12/822483612.db2.gz UYVQORIGRYPYEP-PKOBYXMFSA-N 1 1 379.504 4.078 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000179444347 822483996 /nfs/dbraw/zinc/48/39/96/822483996.db2.gz AJNGLJIBYRJLLT-HNNXBMFYSA-N 1 1 391.309 4.009 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000179447354 822484483 /nfs/dbraw/zinc/48/44/83/822484483.db2.gz HNBZFRIYUFCPKC-LJQANCHMSA-N 1 1 393.531 4.037 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1)c1ccco1 ZINC000183497025 822486119 /nfs/dbraw/zinc/48/61/19/822486119.db2.gz FOOHUEZEYMSTNL-HNNXBMFYSA-N 1 1 381.423 4.160 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1)c1ccco1 ZINC000183497038 822486151 /nfs/dbraw/zinc/48/61/51/822486151.db2.gz FOOHUEZEYMSTNL-OAHLLOKOSA-N 1 1 381.423 4.160 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccccc2SC(F)F)C2CC2)n1 ZINC000183498147 822486311 /nfs/dbraw/zinc/48/63/11/822486311.db2.gz AYBOKIGIUCCQFO-HNNXBMFYSA-N 1 1 383.489 4.446 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)cc1OC ZINC000183502310 822486969 /nfs/dbraw/zinc/48/69/69/822486969.db2.gz QJXSFANPYZRLTE-LBPRGKRZSA-N 1 1 380.485 4.119 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)cc1OC ZINC000183503744 822487237 /nfs/dbraw/zinc/48/72/37/822487237.db2.gz DYTTXAMEPKUHSG-OLZOCXBDSA-N 1 1 394.874 4.024 20 0 GIADMO Clc1ccc(-n2cc(C[NH2+]Cc3ccccc3-n3ccnc3)nn2)cc1Cl ZINC000183508938 822487607 /nfs/dbraw/zinc/48/76/07/822487607.db2.gz KPFJHJNNOLHZQM-UHFFFAOYSA-N 1 1 399.285 4.050 20 0 GIADMO C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183511723 822488105 /nfs/dbraw/zinc/48/81/05/822488105.db2.gz MEHIJXVRISJPPB-GOEBONIOSA-N 1 1 382.508 4.480 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCCC2CCOCC2)c1 ZINC000454515247 822488790 /nfs/dbraw/zinc/48/87/90/822488790.db2.gz SHSUEAAJPCQWDS-UHFFFAOYSA-N 1 1 384.524 4.383 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1OCC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183522483 822489628 /nfs/dbraw/zinc/48/96/28/822489628.db2.gz OWBISOQLCOXMIO-CABCVRRESA-N 1 1 381.467 4.105 20 0 GIADMO Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1-c1ncco1 ZINC000183526816 822490036 /nfs/dbraw/zinc/49/00/36/822490036.db2.gz COZWGFLJUAZZTR-DLBZAZTESA-N 1 1 382.508 4.425 20 0 GIADMO Cc1cc(C)c(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cn1 ZINC000454519413 822490089 /nfs/dbraw/zinc/49/00/89/822490089.db2.gz WHBMKQRSBZCCST-UHFFFAOYSA-N 1 1 377.492 4.388 20 0 GIADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000454520492 822490482 /nfs/dbraw/zinc/49/04/82/822490482.db2.gz XLNVFXALCXUIFR-HXUWFJFHSA-N 1 1 383.540 4.003 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)C2)C1 ZINC000454530768 822492273 /nfs/dbraw/zinc/49/22/73/822492273.db2.gz SEWMFYCPXDAUNI-HSZRJFAPSA-N 1 1 397.494 4.354 20 0 GIADMO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)s1 ZINC000179503148 822492522 /nfs/dbraw/zinc/49/25/22/822492522.db2.gz BBPNLEWSOZDSPS-CPCISQLKSA-N 1 1 379.682 4.082 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000183548007 822493138 /nfs/dbraw/zinc/49/31/38/822493138.db2.gz QLONJIHYRLCAMT-QGZVFWFLSA-N 1 1 398.359 4.458 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2cccc3cccnc32)cc1 ZINC000046615730 822493161 /nfs/dbraw/zinc/49/31/61/822493161.db2.gz IXPHQJDGJIUJKF-LJQANCHMSA-N 1 1 387.527 4.468 20 0 GIADMO FC(F)(F)c1ccc(-n2nnnc2C[NH2+]C2(c3ccccc3)CCCC2)cc1 ZINC000183549182 822493327 /nfs/dbraw/zinc/49/33/27/822493327.db2.gz NMPDMZYKEHJDKP-UHFFFAOYSA-N 1 1 387.409 4.240 20 0 GIADMO C[NH+](C)CCOc1cc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)ccn1 ZINC000179511067 822493671 /nfs/dbraw/zinc/49/36/71/822493671.db2.gz UNHPMEHYVJLJJL-KRWDZBQOSA-N 1 1 380.319 4.106 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183557032 822494456 /nfs/dbraw/zinc/49/44/56/822494456.db2.gz WFNFUSFIPFPDPR-YJBOKZPZSA-N 1 1 375.563 4.090 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccnc1C(F)(F)F ZINC000179516491 822494885 /nfs/dbraw/zinc/49/48/85/822494885.db2.gz PBBKUOQPLNWJOF-QGZVFWFLSA-N 1 1 391.437 4.085 20 0 GIADMO c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179517443 822495242 /nfs/dbraw/zinc/49/52/42/822495242.db2.gz IBDUQDYVHDGLJM-IBGZPJMESA-N 1 1 398.514 4.376 20 0 GIADMO c1ccc(-c2nc3ccccn3c2C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179517443 822495244 /nfs/dbraw/zinc/49/52/44/822495244.db2.gz IBDUQDYVHDGLJM-IBGZPJMESA-N 1 1 398.514 4.376 20 0 GIADMO c1ccc(-c2nc3ccccn3c2C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179517443 822495247 /nfs/dbraw/zinc/49/52/47/822495247.db2.gz IBDUQDYVHDGLJM-IBGZPJMESA-N 1 1 398.514 4.376 20 0 GIADMO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(Br)s1 ZINC000179520655 822496112 /nfs/dbraw/zinc/49/61/12/822496112.db2.gz GIRVWJLSRUNVIB-VIFPVBQESA-N 1 1 377.254 4.400 20 0 GIADMO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1cc(Br)ccc1F ZINC000179521436 822496350 /nfs/dbraw/zinc/49/63/50/822496350.db2.gz QCFGJRUXVXOWHB-SNVBAGLBSA-N 1 1 389.215 4.478 20 0 GIADMO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccc(F)cc1OC(F)F ZINC000179522929 822496569 /nfs/dbraw/zinc/49/65/69/822496569.db2.gz HVAHDIKWHKZTNM-SNVBAGLBSA-N 1 1 376.325 4.317 20 0 GIADMO OC[C@H]1C=C[C@@H]([NH2+][C@H](c2ccccc2)c2cc(Br)ccc2F)C1 ZINC000183575061 822496625 /nfs/dbraw/zinc/49/66/25/822496625.db2.gz NOSHYEIOVLMXOI-URKNILKWSA-N 1 1 376.269 4.204 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC000183580220 822497282 /nfs/dbraw/zinc/49/72/82/822497282.db2.gz DEHNXYMEPVCTJB-LBPRGKRZSA-N 1 1 393.475 4.159 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC000183580220 822497284 /nfs/dbraw/zinc/49/72/84/822497284.db2.gz DEHNXYMEPVCTJB-LBPRGKRZSA-N 1 1 393.475 4.159 20 0 GIADMO Cc1nc(C(F)(F)F)c(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000183593122 822498644 /nfs/dbraw/zinc/49/86/44/822498644.db2.gz FSERCWRMVXWOFF-INIZCTEOSA-N 1 1 383.483 4.424 20 0 GIADMO Cc1sc2nc([C@H](C)[NH2+][C@H](C)c3cccc(-n4cccn4)c3)nc(N)c2c1C ZINC000183608968 822500742 /nfs/dbraw/zinc/50/07/42/822500742.db2.gz PDOJHGKIJVNCBP-KGLIPLIRSA-N 1 1 392.532 4.488 20 0 GIADMO C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(F)c(F)c1 ZINC000179554543 822502634 /nfs/dbraw/zinc/50/26/34/822502634.db2.gz ZIKZOUYPFJLKGD-MRFFXTKBSA-N 1 1 380.866 4.341 20 0 GIADMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2F)cc1 ZINC000179557616 822503221 /nfs/dbraw/zinc/50/32/21/822503221.db2.gz RWYFOIZWKSMTDD-LSDHHAIUSA-N 1 1 396.503 4.407 20 0 GIADMO CCCOc1ccc(C[N@H+](CC)CC(=O)Nc2c(F)cccc2F)cc1OC ZINC000179575539 822505985 /nfs/dbraw/zinc/50/59/85/822505985.db2.gz SCRVLBQZKOHNPR-UHFFFAOYSA-N 1 1 392.446 4.223 20 0 GIADMO CCCOc1ccc(C[N@@H+](CC)CC(=O)Nc2c(F)cccc2F)cc1OC ZINC000179575539 822505986 /nfs/dbraw/zinc/50/59/86/822505986.db2.gz SCRVLBQZKOHNPR-UHFFFAOYSA-N 1 1 392.446 4.223 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCC(=O)c2cccs2)C1 ZINC000046714370 822508762 /nfs/dbraw/zinc/50/87/62/822508762.db2.gz NHZRNNRDARQGFU-KRWDZBQOSA-N 1 1 384.545 4.259 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H](CCO)C(C)(C)C)cs1)c1ccc(C)cc1 ZINC000183671952 822508862 /nfs/dbraw/zinc/50/88/62/822508862.db2.gz LMWLNUSXRRPGOL-GOSISDBHSA-N 1 1 375.538 4.023 20 0 GIADMO CSCC1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000454630814 822509526 /nfs/dbraw/zinc/50/95/26/822509526.db2.gz ZCQAPAOVJMQOLS-VWEINGBSSA-N 1 1 389.609 4.118 20 0 GIADMO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000179598202 822509988 /nfs/dbraw/zinc/50/99/88/822509988.db2.gz FVWLMVYIBHJDDJ-XIKOKIGWSA-N 1 1 378.394 4.098 20 0 GIADMO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000179598228 822510052 /nfs/dbraw/zinc/51/00/52/822510052.db2.gz FVWLMVYIBHJDDJ-KZULUSFZSA-N 1 1 378.394 4.098 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(COC)cc1 ZINC000179605465 822511295 /nfs/dbraw/zinc/51/12/95/822511295.db2.gz VQLRXPVKNPSUHD-UHFFFAOYSA-N 1 1 380.410 4.312 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(COC)cc1 ZINC000179605465 822511297 /nfs/dbraw/zinc/51/12/97/822511297.db2.gz VQLRXPVKNPSUHD-UHFFFAOYSA-N 1 1 380.410 4.312 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000046751163 822512800 /nfs/dbraw/zinc/51/28/00/822512800.db2.gz WKEWBKOVHQWNLY-INIZCTEOSA-N 1 1 386.515 4.029 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000046750699 822512950 /nfs/dbraw/zinc/51/29/50/822512950.db2.gz FBRZAJFVFRUASY-GOSISDBHSA-N 1 1 395.551 4.016 20 0 GIADMO CCCC[N@H+](Cc1ccc(-c2ccccc2OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179613566 822513148 /nfs/dbraw/zinc/51/31/48/822513148.db2.gz BFLFUALPCRBZIH-FQEVSTJZSA-N 1 1 387.545 4.151 20 0 GIADMO CCCC[N@@H+](Cc1ccc(-c2ccccc2OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000179613566 822513149 /nfs/dbraw/zinc/51/31/49/822513149.db2.gz BFLFUALPCRBZIH-FQEVSTJZSA-N 1 1 387.545 4.151 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000183704357 822514330 /nfs/dbraw/zinc/51/43/30/822514330.db2.gz RXQOSNYAUUJLEL-CQSZACIVSA-N 1 1 393.325 4.308 20 0 GIADMO O=C(CC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)N1CCCCC1 ZINC000183708535 822514954 /nfs/dbraw/zinc/51/49/54/822514954.db2.gz VPQNBMRJGBRUCQ-IBGZPJMESA-N 1 1 391.309 4.124 20 0 GIADMO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000183715023 822515729 /nfs/dbraw/zinc/51/57/29/822515729.db2.gz SFPIQDDDSOWYNP-AZUAARDMSA-N 1 1 395.551 4.299 20 0 GIADMO Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000183715044 822515768 /nfs/dbraw/zinc/51/57/68/822515768.db2.gz SFPIQDDDSOWYNP-ICSRJNTNSA-N 1 1 395.551 4.299 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC2)c(C)c1 ZINC000046780476 822516637 /nfs/dbraw/zinc/51/66/37/822516637.db2.gz UWACIPGQBNYSQH-UHFFFAOYSA-N 1 1 391.467 4.210 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC[N@H+]1C ZINC000179637796 822517424 /nfs/dbraw/zinc/51/74/24/822517424.db2.gz WSGUPOCUKAQKIU-IIBYNOLFSA-N 1 1 379.504 4.235 20 0 GIADMO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000046838444 822522700 /nfs/dbraw/zinc/52/27/00/822522700.db2.gz ZUQYQTKJACMGCU-RTBURBONSA-N 1 1 396.531 4.153 20 0 GIADMO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000179670546 822523843 /nfs/dbraw/zinc/52/38/43/822523843.db2.gz RRJDBNONRSWOHR-SBUREZEXSA-N 1 1 391.540 4.310 20 0 GIADMO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000179670546 822523845 /nfs/dbraw/zinc/52/38/45/822523845.db2.gz RRJDBNONRSWOHR-SBUREZEXSA-N 1 1 391.540 4.310 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(Cl)c1Cl ZINC000183761304 822523857 /nfs/dbraw/zinc/52/38/57/822523857.db2.gz WCZMICYVIXOUBM-LBPRGKRZSA-N 1 1 387.332 4.095 20 0 GIADMO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000179672447 822524015 /nfs/dbraw/zinc/52/40/15/822524015.db2.gz JULLBXOZGBZFLH-XMSQKQJNSA-N 1 1 381.520 4.227 20 0 GIADMO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000179672447 822524017 /nfs/dbraw/zinc/52/40/17/822524017.db2.gz JULLBXOZGBZFLH-XMSQKQJNSA-N 1 1 381.520 4.227 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000183763996 822524637 /nfs/dbraw/zinc/52/46/37/822524637.db2.gz PLCHBOLEBYTJFF-QWRGUYRKSA-N 1 1 383.241 4.445 20 0 GIADMO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000183773360 822526279 /nfs/dbraw/zinc/52/62/79/822526279.db2.gz SMKDEMUTDAACBO-JKSUJKDBSA-N 1 1 381.476 4.020 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000183806389 822530333 /nfs/dbraw/zinc/53/03/33/822530333.db2.gz UOSRFBRGNFQGDB-IBGZPJMESA-N 1 1 395.503 4.100 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000183806370 822530381 /nfs/dbraw/zinc/53/03/81/822530381.db2.gz UOSRFBRGNFQGDB-LJQANCHMSA-N 1 1 395.503 4.100 20 0 GIADMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000179704455 822531558 /nfs/dbraw/zinc/53/15/58/822531558.db2.gz LDGLRFPZUOLUEQ-OAHLLOKOSA-N 1 1 383.826 4.358 20 0 GIADMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000179704455 822531561 /nfs/dbraw/zinc/53/15/61/822531561.db2.gz LDGLRFPZUOLUEQ-OAHLLOKOSA-N 1 1 383.826 4.358 20 0 GIADMO COc1cc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc(OC)c1OC ZINC000046934540 822532531 /nfs/dbraw/zinc/53/25/31/822532531.db2.gz WKOLITYJGRXXRU-MRXNPFEDSA-N 1 1 398.503 4.197 20 0 GIADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000179711229 822532659 /nfs/dbraw/zinc/53/26/59/822532659.db2.gz NPAIANWBZROAMK-CRAIPNDOSA-N 1 1 376.460 4.195 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cc2)C1 ZINC000046934694 822532677 /nfs/dbraw/zinc/53/26/77/822532677.db2.gz VFFZZXSGGJNSSH-FOIQADDNSA-N 1 1 395.478 4.122 20 0 GIADMO C[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)[N@H+]1CCC[C@@H](C)C1 ZINC000046952422 822533742 /nfs/dbraw/zinc/53/37/42/822533742.db2.gz YUVQQTLYJYJIHB-CVEARBPZSA-N 1 1 389.927 4.164 20 0 GIADMO CC[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccccc1OCC(=O)N(C)C ZINC000179726245 822535998 /nfs/dbraw/zinc/53/59/98/822535998.db2.gz XPNDODZITKJOTL-MRXNPFEDSA-N 1 1 383.517 4.004 20 0 GIADMO Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1NC(=O)c1ccco1 ZINC000046988524 822536044 /nfs/dbraw/zinc/53/60/44/822536044.db2.gz ODYLRRATLAYRAB-SFHVURJKSA-N 1 1 397.519 4.225 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000046989563 822536056 /nfs/dbraw/zinc/53/60/56/822536056.db2.gz AAQXUWTVVXHWBF-KRWDZBQOSA-N 1 1 389.540 4.418 20 0 GIADMO Cc1noc(C)c1COc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000046990418 822536062 /nfs/dbraw/zinc/53/60/62/822536062.db2.gz PSJWSDASTFIWJR-KRWDZBQOSA-N 1 1 399.535 4.112 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000046991027 822536108 /nfs/dbraw/zinc/53/61/08/822536108.db2.gz BXQAYXNGOFRODI-MRXNPFEDSA-N 1 1 378.607 4.407 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183854512 822536348 /nfs/dbraw/zinc/53/63/48/822536348.db2.gz SDOPVIWKXZJBRD-QGZVFWFLSA-N 1 1 376.497 4.009 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cccc(CSC2CCOCC2)c1)C1CC1 ZINC000454804944 822537651 /nfs/dbraw/zinc/53/76/51/822537651.db2.gz MSOUNGSUYYVYIQ-UHFFFAOYSA-N 1 1 391.581 4.095 20 0 GIADMO CC[C@H](CNc1ccccc1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000454810359 822538599 /nfs/dbraw/zinc/53/85/99/822538599.db2.gz NNDUPDIVLZFGBX-AZUAARDMSA-N 1 1 396.535 4.092 20 0 GIADMO CC1(F)CC(NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000454810634 822538624 /nfs/dbraw/zinc/53/86/24/822538624.db2.gz IRNAKGBMFUPVCP-UHFFFAOYSA-N 1 1 388.314 4.148 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000179737045 822539023 /nfs/dbraw/zinc/53/90/23/822539023.db2.gz QOVRCWGQGWYHLP-INIZCTEOSA-N 1 1 385.483 4.234 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCC[C@@H]1CF ZINC000454820070 822540521 /nfs/dbraw/zinc/54/05/21/822540521.db2.gz QGZJFDOONPDDBD-QGZVFWFLSA-N 1 1 388.314 4.101 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000179742583 822540852 /nfs/dbraw/zinc/54/08/52/822540852.db2.gz FOFPSHGKAKZNOT-LJQANCHMSA-N 1 1 397.519 4.007 20 0 GIADMO COc1ccccc1COC1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000179754195 822543541 /nfs/dbraw/zinc/54/35/41/822543541.db2.gz ARZGCWRBHFQBGF-UHFFFAOYSA-N 1 1 392.499 4.349 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000179759528 822544963 /nfs/dbraw/zinc/54/49/63/822544963.db2.gz SQKNHYSOQWFWQI-GOSISDBHSA-N 1 1 392.503 4.018 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)Nc2ccccc2Cl)C[C@@H](C)O1 ZINC000047127644 822546283 /nfs/dbraw/zinc/54/62/83/822546283.db2.gz SAKJNJQUXNUOBA-HZPDHXFCSA-N 1 1 387.911 4.271 20 0 GIADMO C[N@H+](Cc1cnc(-c2cccs2)s1)Cc1ccccc1N1CCOCC1 ZINC000179762672 822546416 /nfs/dbraw/zinc/54/64/16/822546416.db2.gz CAMQLISJXBJMTH-UHFFFAOYSA-N 1 1 385.558 4.340 20 0 GIADMO C[N@@H+](Cc1cnc(-c2cccs2)s1)Cc1ccccc1N1CCOCC1 ZINC000179762672 822546421 /nfs/dbraw/zinc/54/64/21/822546421.db2.gz CAMQLISJXBJMTH-UHFFFAOYSA-N 1 1 385.558 4.340 20 0 GIADMO Fc1cccc(-c2cnc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)o2)c1 ZINC000179765662 822547439 /nfs/dbraw/zinc/54/74/39/822547439.db2.gz UNBNJOPBXVDGIC-JOCHJYFZSA-N 1 1 380.419 4.493 20 0 GIADMO Clc1ccccc1-c1nnc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000179767038 822547959 /nfs/dbraw/zinc/54/79/59/822547959.db2.gz FGZQVSCMEZJPEN-HXUWFJFHSA-N 1 1 397.862 4.402 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(C2SCCS2)cc1 ZINC000047174691 822551188 /nfs/dbraw/zinc/55/11/88/822551188.db2.gz POXOEXKPEFDFGN-UHFFFAOYSA-N 1 1 382.514 4.307 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)NCCC3=CCCCCC3)CC2)oc1C ZINC000183942952 822551401 /nfs/dbraw/zinc/55/14/01/822551401.db2.gz DDYKUCVQQRJAKS-UHFFFAOYSA-N 1 1 388.556 4.083 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000183946720 822552000 /nfs/dbraw/zinc/55/20/00/822552000.db2.gz CATIBUBRTINZDG-HNNXBMFYSA-N 1 1 397.548 4.010 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000047187895 822552509 /nfs/dbraw/zinc/55/25/09/822552509.db2.gz YBUQEQSWSUFNQI-QGZVFWFLSA-N 1 1 389.540 4.276 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nccs1 ZINC000183951510 822552678 /nfs/dbraw/zinc/55/26/78/822552678.db2.gz OBHVGCYQDNGMJF-SNVBAGLBSA-N 1 1 391.846 4.489 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nccs1 ZINC000183951510 822552682 /nfs/dbraw/zinc/55/26/82/822552682.db2.gz OBHVGCYQDNGMJF-SNVBAGLBSA-N 1 1 391.846 4.489 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)c1cc(F)ccc1F ZINC000179787905 822553112 /nfs/dbraw/zinc/55/31/12/822553112.db2.gz MGYBZDIVFMMJEW-OAHLLOKOSA-N 1 1 398.837 4.315 20 0 GIADMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1cc(F)ccc1F ZINC000179789252 822553297 /nfs/dbraw/zinc/55/32/97/822553297.db2.gz ZSXPLOZHYCQPKG-PXAZEXFGSA-N 1 1 378.419 4.050 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC)c1cc(F)ccc1F ZINC000179789239 822553369 /nfs/dbraw/zinc/55/33/69/822553369.db2.gz ZSXPLOZHYCQPKG-YVEFUNNKSA-N 1 1 378.419 4.050 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nccs1 ZINC000183955829 822553634 /nfs/dbraw/zinc/55/36/34/822553634.db2.gz GRTDOWLFFXPSLI-HNNXBMFYSA-N 1 1 377.529 4.145 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nccs1 ZINC000183955829 822553636 /nfs/dbraw/zinc/55/36/36/822553636.db2.gz GRTDOWLFFXPSLI-HNNXBMFYSA-N 1 1 377.529 4.145 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c[nH]nc2c1 ZINC000179795472 822554336 /nfs/dbraw/zinc/55/43/36/822554336.db2.gz XIBAVYFRDJUYMK-UHFFFAOYSA-N 1 1 377.275 4.330 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c[nH]nc2c1 ZINC000179795472 822554339 /nfs/dbraw/zinc/55/43/39/822554339.db2.gz XIBAVYFRDJUYMK-UHFFFAOYSA-N 1 1 377.275 4.330 20 0 GIADMO Cc1c2cc(Cl)ccc2oc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227579 822556222 /nfs/dbraw/zinc/55/62/22/822556222.db2.gz VCDQFZDSYAQGOD-UHFFFAOYSA-N 1 1 398.890 4.157 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183983367 822557816 /nfs/dbraw/zinc/55/78/16/822557816.db2.gz LZLQVIXDDKLRHV-RHSMWYFYSA-N 1 1 397.548 4.008 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183983367 822557819 /nfs/dbraw/zinc/55/78/19/822557819.db2.gz LZLQVIXDDKLRHV-RHSMWYFYSA-N 1 1 397.548 4.008 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4ccccc4)CC3)c2c1 ZINC000047257254 822559033 /nfs/dbraw/zinc/55/90/33/822559033.db2.gz MQLKBGJPWSTYRQ-MRXNPFEDSA-N 1 1 375.472 4.293 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4ccccc4)CC3)c2c1 ZINC000047257254 822559036 /nfs/dbraw/zinc/55/90/36/822559036.db2.gz MQLKBGJPWSTYRQ-MRXNPFEDSA-N 1 1 375.472 4.293 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3csc(-c4ccccc4)n3)C2)n1 ZINC000047260831 822559537 /nfs/dbraw/zinc/55/95/37/822559537.db2.gz PPFLTFXAVPEHTL-GOSISDBHSA-N 1 1 392.528 4.364 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3csc(-c4ccccc4)n3)C2)n1 ZINC000047260831 822559541 /nfs/dbraw/zinc/55/95/41/822559541.db2.gz PPFLTFXAVPEHTL-GOSISDBHSA-N 1 1 392.528 4.364 20 0 GIADMO CCCC[N@H+](C)c1ccc(N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000179830606 822561641 /nfs/dbraw/zinc/56/16/41/822561641.db2.gz RQROBOXMOCJIKV-INIZCTEOSA-N 1 1 375.538 4.004 20 0 GIADMO CCCC[N@@H+](C)c1ccc(N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000179830606 822561644 /nfs/dbraw/zinc/56/16/44/822561644.db2.gz RQROBOXMOCJIKV-INIZCTEOSA-N 1 1 375.538 4.004 20 0 GIADMO CCCC[N@H+](C)c1ccc(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000179830941 822561833 /nfs/dbraw/zinc/56/18/33/822561833.db2.gz TUGZJQFDPPSICH-INIZCTEOSA-N 1 1 375.538 4.468 20 0 GIADMO CCCC[N@@H+](C)c1ccc(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000179830941 822561836 /nfs/dbraw/zinc/56/18/36/822561836.db2.gz TUGZJQFDPPSICH-INIZCTEOSA-N 1 1 375.538 4.468 20 0 GIADMO CCC[C@@H]1CN(C(=O)Nc2c(C)nn(CC)c2C)CC[N@H+]1Cc1ccccc1 ZINC000179831175 822562057 /nfs/dbraw/zinc/56/20/57/822562057.db2.gz NEVDBKXNEXFTPP-HXUWFJFHSA-N 1 1 383.540 4.038 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047287097 822562210 /nfs/dbraw/zinc/56/22/10/822562210.db2.gz LBMYDVMSGQIKPD-LSDHHAIUSA-N 1 1 394.302 4.313 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[N@H+](C)C[C@H](C)c3nccs3)cs2)c1 ZINC000184010714 822563327 /nfs/dbraw/zinc/56/33/27/822563327.db2.gz USVYLSOHRWTLRC-ZDUSSCGKSA-N 1 1 387.530 4.289 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[N@@H+](C)C[C@H](C)c3nccs3)cs2)c1 ZINC000184010714 822563329 /nfs/dbraw/zinc/56/33/29/822563329.db2.gz USVYLSOHRWTLRC-ZDUSSCGKSA-N 1 1 387.530 4.289 20 0 GIADMO COc1cc(Cl)c(C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)cc1Cl ZINC000179858181 822567381 /nfs/dbraw/zinc/56/73/81/822567381.db2.gz JGUNOIXNPDRHNJ-UHFFFAOYSA-N 1 1 398.290 4.149 20 0 GIADMO O=C(Nc1ccc(F)c(F)c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047335787 822567957 /nfs/dbraw/zinc/56/79/57/822567957.db2.gz VNIQWXSHFQUMHB-UHFFFAOYSA-N 1 1 381.373 4.029 20 0 GIADMO C[C@@H](c1ccc(C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(F)(F)F ZINC000455005382 822569039 /nfs/dbraw/zinc/56/90/39/822569039.db2.gz GJKNXUPRQFVWMM-JEWRLFTDSA-N 1 1 398.469 4.066 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CCCCC1 ZINC000184041625 822569476 /nfs/dbraw/zinc/56/94/76/822569476.db2.gz ZBGCOEJIHJPGAD-UHFFFAOYSA-N 1 1 379.504 4.269 20 0 GIADMO O=C(Nc1ccc2c(c1)CCC2)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047351162 822569937 /nfs/dbraw/zinc/56/99/37/822569937.db2.gz SWCKTANRKAYQJE-UHFFFAOYSA-N 1 1 385.458 4.240 20 0 GIADMO COc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1OC(F)F ZINC000179879054 822570232 /nfs/dbraw/zinc/57/02/32/822570232.db2.gz IPEYIEXBDICZLS-UHFFFAOYSA-N 1 1 375.415 4.392 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ncccc3C(F)(F)F)cc2)C1 ZINC000179905149 822574364 /nfs/dbraw/zinc/57/43/64/822574364.db2.gz XYRSIDOXQRVSNH-HNNXBMFYSA-N 1 1 391.437 4.262 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC(F)F ZINC000179921038 822577566 /nfs/dbraw/zinc/57/75/66/822577566.db2.gz FSHUSUICLHTKOH-LLVKDONJSA-N 1 1 384.423 4.438 20 0 GIADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000184106872 822578937 /nfs/dbraw/zinc/57/89/37/822578937.db2.gz BXOCXSBXQHLDBV-YJBOKZPZSA-N 1 1 388.895 4.095 20 0 GIADMO COCCCCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000184119587 822581454 /nfs/dbraw/zinc/58/14/54/822581454.db2.gz NXOZKPBXGBAZEQ-MJGOQNOKSA-N 1 1 384.923 4.326 20 0 GIADMO COCCCCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000184119587 822581456 /nfs/dbraw/zinc/58/14/56/822581456.db2.gz NXOZKPBXGBAZEQ-MJGOQNOKSA-N 1 1 384.923 4.326 20 0 GIADMO C[C@H](F)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000455060632 822582574 /nfs/dbraw/zinc/58/25/74/822582574.db2.gz SXIPHESEDQNWIA-QRTARXTBSA-N 1 1 389.437 4.136 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000179954906 822585253 /nfs/dbraw/zinc/58/52/53/822585253.db2.gz QXORICDCESEBBZ-QFIPXVFZSA-N 1 1 383.488 4.499 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 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FIGNYOXFYQFOOC-UHFFFAOYSA-N 1 1 397.563 4.216 20 0 GIADMO CCN(C(=O)CCCc1nc2ccccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184177068 822591210 /nfs/dbraw/zinc/59/12/10/822591210.db2.gz YDLNRFHHKOPPKL-FQEVSTJZSA-N 1 1 390.531 4.009 20 0 GIADMO COCCN(Cc1ccco1)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000047571353 822592482 /nfs/dbraw/zinc/59/24/82/822592482.db2.gz UYQPCFDQVYTZID-UHFFFAOYSA-N 1 1 396.491 4.328 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CSc2ccccc21 ZINC000455128485 822593502 /nfs/dbraw/zinc/59/35/02/822593502.db2.gz UFQWIHOHEOCGQD-UXHICEINSA-N 1 1 395.572 4.039 20 0 GIADMO COc1cc2c(cc1C[NH2+][C@H](C)c1nc3ccc(Cl)cc3n1C)O[C@H](C)C2 ZINC000180005557 822594331 /nfs/dbraw/zinc/59/43/31/822594331.db2.gz JMSALIOILDNNOF-CHWSQXEVSA-N 1 1 385.895 4.410 20 0 GIADMO C[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ncc(Br)s1 ZINC000180010479 822595834 /nfs/dbraw/zinc/59/58/34/822595834.db2.gz RAHJDFRJMPILFG-NWDGAFQWSA-N 1 1 375.332 4.022 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(-c4cccs4)n3)ccc2NC1=O ZINC000180010863 822596016 /nfs/dbraw/zinc/59/60/16/822596016.db2.gz KFCRQLOSXHDJHJ-MLGOLLRUSA-N 1 1 383.473 4.363 20 0 GIADMO CC(=O)N(c1nc(Cn2cc[nH+]c2C)cs1)c1ccc(C(F)(F)F)cc1 ZINC000180012415 822596366 /nfs/dbraw/zinc/59/63/66/822596366.db2.gz SZSXDVIREBZCKV-UHFFFAOYSA-N 1 1 380.395 4.400 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1scnc1C1CCCC1)[NH+]1CCCC1 ZINC000184220396 822598145 /nfs/dbraw/zinc/59/81/45/822598145.db2.gz XBXZYOVHDOVQOR-SFHVURJKSA-N 1 1 399.560 4.376 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3csc(-c4ccoc4)n3)ccc2NC1=O ZINC000180023906 822599187 /nfs/dbraw/zinc/59/91/87/822599187.db2.gz OCVGNAFOLYOKNF-SJKOYZFVSA-N 1 1 383.473 4.363 20 0 GIADMO CC(C)[N@H+](CCc1nccs1)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000180025385 822599577 /nfs/dbraw/zinc/59/95/77/822599577.db2.gz NYKYPRCRKOODKI-UHFFFAOYSA-N 1 1 381.586 4.433 20 0 GIADMO CC[C@H](C)Sc1ccc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(C)c1 ZINC000184248366 822602688 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GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3OC3CCCC3)C2)C1 ZINC000455207650 822608781 /nfs/dbraw/zinc/60/87/81/822608781.db2.gz QWUJEOLAAXJLMG-FQEVSTJZSA-N 1 1 377.916 4.221 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000180069880 822609135 /nfs/dbraw/zinc/60/91/35/822609135.db2.gz IXMAERBANVWMAC-SFHVURJKSA-N 1 1 375.398 4.168 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccco1 ZINC000047792181 822609391 /nfs/dbraw/zinc/60/93/91/822609391.db2.gz FTEJEFYFOUQTEG-APWZRJJASA-N 1 1 387.480 4.172 20 0 GIADMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797851 822609731 /nfs/dbraw/zinc/60/97/31/822609731.db2.gz ZTVAFCDPHCPJET-OWCLPIDISA-N 1 1 392.490 4.038 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](c3ccc(Cl)cc3)C(F)(F)F)C2)C1 ZINC000455219778 822611068 /nfs/dbraw/zinc/61/10/68/822611068.db2.gz ZHZJQCYQTFDJAG-NVXWUHKLSA-N 1 1 389.849 4.071 20 0 GIADMO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000180090405 822613265 /nfs/dbraw/zinc/61/32/65/822613265.db2.gz PKUCLUXEDZRIGF-AWEZNQCLSA-N 1 1 377.506 4.429 20 0 GIADMO COCCc1ccc(Oc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC3)cc2)cc1 ZINC000184320350 822614260 /nfs/dbraw/zinc/61/42/60/822614260.db2.gz GGPUTQQYWKWMQB-UHFFFAOYSA-N 1 1 397.519 4.226 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H](c3cccc4ccccc43)C(F)(F)F)C2)C1 ZINC000455240843 822615573 /nfs/dbraw/zinc/61/55/73/822615573.db2.gz RTGPPPXIMAGPHM-QUCCMNQESA-N 1 1 391.437 4.180 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1nc(C)cs1 ZINC000184357646 822621480 /nfs/dbraw/zinc/62/14/80/822621480.db2.gz XFRQEMCCJURBAL-ZIAGYGMSSA-N 1 1 388.562 4.149 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000180132731 822622544 /nfs/dbraw/zinc/62/25/44/822622544.db2.gz QKJLFMFLZKEWAE-CYBMUJFWSA-N 1 1 375.847 4.280 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000180132535 822622556 /nfs/dbraw/zinc/62/25/56/822622556.db2.gz WEYJZHKHIKNHFR-PBHICJAKSA-N 1 1 389.931 4.028 20 0 GIADMO CCCCn1ncc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1C(C)C ZINC000455273481 822623905 /nfs/dbraw/zinc/62/39/05/822623905.db2.gz JAKHKJUTPXGZHU-KRWDZBQOSA-N 1 1 375.561 4.145 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)C1 ZINC000184375815 822624374 /nfs/dbraw/zinc/62/43/74/822624374.db2.gz PQOTYFRZFFDDDS-CYBMUJFWSA-N 1 1 393.944 4.054 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000184380039 822625201 /nfs/dbraw/zinc/62/52/01/822625201.db2.gz CSEGUTGUAXWROX-CYBMUJFWSA-N 1 1 393.944 4.197 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc(F)c(SC)c(F)c2)C1 ZINC000184381575 822625413 /nfs/dbraw/zinc/62/54/13/822625413.db2.gz MGMPDYVQKDMQNI-ZDUSSCGKSA-N 1 1 380.464 4.315 20 0 GIADMO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180145068 822625959 /nfs/dbraw/zinc/62/59/59/822625959.db2.gz CVGQBNFXQYWAHC-WBMJQRKESA-N 1 1 399.869 4.422 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1)C1CC1 ZINC000455286514 822627560 /nfs/dbraw/zinc/62/75/60/822627560.db2.gz UTYYBJQPMDCORT-UHFFFAOYSA-N 1 1 390.434 4.148 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CC1 ZINC000455287106 822627798 /nfs/dbraw/zinc/62/77/98/822627798.db2.gz VWUCOWOMLNDEEA-HNNXBMFYSA-N 1 1 395.828 4.256 20 0 GIADMO COc1cc(C[N@H+](C)Cc2ccc(Br)o2)ccc1OC(F)F ZINC000048056927 822627922 /nfs/dbraw/zinc/62/79/22/822627922.db2.gz OKGJVVKFJAPJDA-UHFFFAOYSA-N 1 1 376.197 4.284 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(Br)o2)ccc1OC(F)F ZINC000048056927 822627924 /nfs/dbraw/zinc/62/79/24/822627924.db2.gz OKGJVVKFJAPJDA-UHFFFAOYSA-N 1 1 376.197 4.284 20 0 GIADMO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180153454 822628247 /nfs/dbraw/zinc/62/82/47/822628247.db2.gz OHXRUEVIEQTNRQ-IHWFROFDSA-N 1 1 387.568 4.075 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N1CC[C@H](C)Sc2ccccc21)c1nc(C)cs1 ZINC000184399567 822628354 /nfs/dbraw/zinc/62/83/54/822628354.db2.gz FZPGKUYYPGCCCD-LSDHHAIUSA-N 1 1 375.563 4.410 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180158536 822629245 /nfs/dbraw/zinc/62/92/45/822629245.db2.gz HCOKEMIQPJFVMW-UYAOXDASSA-N 1 1 394.906 4.009 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3SCCS3)cc2)[C@@H]1c1ccccc1 ZINC000180159545 822629414 /nfs/dbraw/zinc/62/94/14/822629414.db2.gz NZEREBYAUIXUDR-MOPGFXCFSA-N 1 1 384.570 4.340 20 0 GIADMO O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184438068 822635029 /nfs/dbraw/zinc/63/50/29/822635029.db2.gz CKIJJIBAPXLISU-YLJYHZDGSA-N 1 1 396.560 4.215 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)c1nc(C(C)(C)C)cs1 ZINC000184457488 822638778 /nfs/dbraw/zinc/63/87/78/822638778.db2.gz GJEWJEZJWCYEDV-QWHCGFSZSA-N 1 1 379.957 4.450 20 0 GIADMO CC(C)(O)C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000180204988 822639200 /nfs/dbraw/zinc/63/92/00/822639200.db2.gz DVLQNZJUHPTTND-UHFFFAOYSA-N 1 1 394.437 4.307 20 0 GIADMO O=C1C[C@@H]([NH2+]Cc2csc(-c3cccs3)n2)CN1c1c(F)cccc1F ZINC000180215833 822641076 /nfs/dbraw/zinc/64/10/76/822641076.db2.gz UYOFJQADSCTMJX-LLVKDONJSA-N 1 1 391.468 4.045 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000184497700 822645670 /nfs/dbraw/zinc/64/56/70/822645670.db2.gz CQJCVFPENIGPBX-OFQRWUPVSA-N 1 1 387.549 4.120 20 0 GIADMO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455393657 822645788 /nfs/dbraw/zinc/64/57/88/822645788.db2.gz COHCFGOHCBUWDB-PZJWPPBQSA-N 1 1 391.506 4.120 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000048230327 822647294 /nfs/dbraw/zinc/64/72/94/822647294.db2.gz DTSZTDGXCZPCJJ-QWHCGFSZSA-N 1 1 393.890 4.293 20 0 GIADMO Cc1c(-c2cc(C[N@@H+](Cc3ccc4c(c3)CCO4)C3CCCC3)on2)cnn1C ZINC000184508405 822647444 /nfs/dbraw/zinc/64/74/44/822647444.db2.gz KBECCJVQNQKRFL-UHFFFAOYSA-N 1 1 392.503 4.263 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)N(C)CC3)CC[N@H+]1Cc1ccccc1 ZINC000180251455 822648329 /nfs/dbraw/zinc/64/83/29/822648329.db2.gz VZOLHJCXKMJFNA-GCJKJVERSA-N 1 1 392.547 4.196 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180259051 822649814 /nfs/dbraw/zinc/64/98/14/822649814.db2.gz IMLJZXOSQIQYNQ-PKOBYXMFSA-N 1 1 398.551 4.212 20 0 GIADMO Cc1csc2nc(C[NH2+][C@@H](c3ccc(Cl)cc3F)C(C)C)cc(=O)n12 ZINC000180260000 822650047 /nfs/dbraw/zinc/65/00/47/822650047.db2.gz ZNIDEUQZNZIXFF-QGZVFWFLSA-N 1 1 379.888 4.344 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000048270234 822650224 /nfs/dbraw/zinc/65/02/24/822650224.db2.gz JBEREZZQUAPUTG-UHFFFAOYSA-N 1 1 394.519 4.002 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1nc(-c2ccccc2)cs1 ZINC000184523005 822650392 /nfs/dbraw/zinc/65/03/92/822650392.db2.gz LUSMVKLZMYQORN-MRXNPFEDSA-N 1 1 377.513 4.046 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000455421055 822650648 /nfs/dbraw/zinc/65/06/48/822650648.db2.gz MCNHIEAYWXCWEE-YUXAGFNASA-N 1 1 382.935 4.124 20 0 GIADMO C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)c1nc(-c2ccccc2)cs1 ZINC000184528332 822651514 /nfs/dbraw/zinc/65/15/14/822651514.db2.gz WPPJXKQTDDYECE-KRWDZBQOSA-N 1 1 391.540 4.309 20 0 GIADMO COc1cc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cc(OC)c1 ZINC000184534860 822652672 /nfs/dbraw/zinc/65/26/72/822652672.db2.gz AODUSZUDTFMQTO-AWEZNQCLSA-N 1 1 397.500 4.117 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1nc2c(cccc2Br)s1)C1CC1 ZINC000455433315 822652849 /nfs/dbraw/zinc/65/28/49/822652849.db2.gz NLNBJCRPQZRGPC-UHFFFAOYSA-N 1 1 397.342 4.055 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cn3c4ccccc4oc3=S)CC2)n1 ZINC000180277930 822653290 /nfs/dbraw/zinc/65/32/90/822653290.db2.gz KOFWAYOPNFQZCA-UHFFFAOYSA-N 1 1 382.411 4.474 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2ccncc2)cc1 ZINC000048323295 822653610 /nfs/dbraw/zinc/65/36/10/822653610.db2.gz DBQKSJJVSFAXLR-SFHVURJKSA-N 1 1 383.561 4.006 20 0 GIADMO CCOCc1cc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180280575 822654099 /nfs/dbraw/zinc/65/40/99/822654099.db2.gz IASRRNUCWSCFAY-DXPJPUQTSA-N 1 1 375.534 4.162 20 0 GIADMO O=c1ccccn1Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000180293918 822657846 /nfs/dbraw/zinc/65/78/46/822657846.db2.gz GFDSYDJOZYVYTC-VWLOTQADSA-N 1 1 381.479 4.171 20 0 GIADMO Cc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(Cc2ccccc2)n1 ZINC000180300048 822659420 /nfs/dbraw/zinc/65/94/20/822659420.db2.gz WOPCCZVLNIKILJ-QUCCMNQESA-N 1 1 395.551 4.014 20 0 GIADMO CC(C)[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C(F)(F)F)cc1 ZINC000455471590 822661061 /nfs/dbraw/zinc/66/10/61/822661061.db2.gz JAOVOADCNIZZNJ-HQSKLWIPSA-N 1 1 383.458 4.327 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2ccc(F)cc2)cn1 ZINC000184585346 822661580 /nfs/dbraw/zinc/66/15/80/822661580.db2.gz ICDVHYXUSHYIAE-LJQANCHMSA-N 1 1 393.384 4.380 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(F)c(Br)c2)c2ccc(F)cc2)cn1 ZINC000184600644 822664105 /nfs/dbraw/zinc/66/41/05/822664105.db2.gz KYKWMOVXVPNZAY-SFHVURJKSA-N 1 1 392.247 4.340 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3C)CC2)[nH+]c1 ZINC000455487536 822664168 /nfs/dbraw/zinc/66/41/68/822664168.db2.gz JRWUDBFEAHLDJE-UHFFFAOYSA-N 1 1 391.475 4.144 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc(C(F)F)cc3)cc2)C[C@H](C)O1 ZINC000184610439 822665533 /nfs/dbraw/zinc/66/55/33/822665533.db2.gz WYOYTRAEZHQPNN-HOTGVXAUSA-N 1 1 388.458 4.163 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)C1 ZINC000180352643 822668531 /nfs/dbraw/zinc/66/85/31/822668531.db2.gz UYLLCWREIFROPF-MRXNPFEDSA-N 1 1 389.931 4.030 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2cc(F)cc(F)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000455544505 822672953 /nfs/dbraw/zinc/67/29/53/822672953.db2.gz OWQUISPFLBIGQP-AWEZNQCLSA-N 1 1 377.410 4.090 20 0 GIADMO C[C@@H](NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000048578670 822673737 /nfs/dbraw/zinc/67/37/37/822673737.db2.gz RBFCHSADUWEOOZ-GOSISDBHSA-N 1 1 393.531 4.267 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180400077 822675506 /nfs/dbraw/zinc/67/55/06/822675506.db2.gz ZYBGEOQPBJMDRQ-NSHDSACASA-N 1 1 393.247 4.072 20 0 GIADMO COc1cc(Cl)cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1O ZINC000184701652 822679130 /nfs/dbraw/zinc/67/91/30/822679130.db2.gz WIVFWBCFKPMFAW-SFHVURJKSA-N 1 1 387.863 4.383 20 0 GIADMO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180428344 822680085 /nfs/dbraw/zinc/68/00/85/822680085.db2.gz QZQPPCKAZMCPSA-UHFFFAOYSA-N 1 1 380.444 4.368 20 0 GIADMO COc1ccc(Cl)cc1C[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000048748514 822681023 /nfs/dbraw/zinc/68/10/23/822681023.db2.gz FFDMLKFGFQAJDK-UHFFFAOYSA-N 1 1 384.863 4.161 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@H]1C ZINC000455600723 822681898 /nfs/dbraw/zinc/68/18/98/822681898.db2.gz RINAXJLIOSJESC-OCCSQVGLSA-N 1 1 395.345 4.058 20 0 GIADMO Cc1nc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c(-c2ccccc2)o1 ZINC000184724403 822682300 /nfs/dbraw/zinc/68/23/00/822682300.db2.gz MGWWHULFUDTPEE-INIZCTEOSA-N 1 1 391.471 4.296 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000455601857 822682323 /nfs/dbraw/zinc/68/23/23/822682323.db2.gz DCCYBDBTKYMDAE-QHCPKHFHSA-N 1 1 377.532 4.218 20 0 GIADMO CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000048778844 822682662 /nfs/dbraw/zinc/68/26/62/822682662.db2.gz PHXJZQZTIDYOMO-QGZVFWFLSA-N 1 1 396.535 4.046 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000180446283 822683641 /nfs/dbraw/zinc/68/36/41/822683641.db2.gz CRKLFFFJAXQELN-KRWDZBQOSA-N 1 1 384.524 4.198 20 0 GIADMO C[N@@H+](CCCCNC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1 ZINC000455610408 822684338 /nfs/dbraw/zinc/68/43/38/822684338.db2.gz KWZFFTBSOBVKCR-UHFFFAOYSA-N 1 1 387.474 4.228 20 0 GIADMO O=C(N[C@@H](c1ccccc1)C(F)F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455615210 822684770 /nfs/dbraw/zinc/68/47/70/822684770.db2.gz FXGFIFFFYYWHHS-NZQKXSOJSA-N 1 1 399.485 4.300 20 0 GIADMO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000180455414 822685489 /nfs/dbraw/zinc/68/54/89/822685489.db2.gz TZUGUPJZZJURII-IRXDYDNUSA-N 1 1 398.359 4.194 20 0 GIADMO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000180455414 822685491 /nfs/dbraw/zinc/68/54/91/822685491.db2.gz TZUGUPJZZJURII-IRXDYDNUSA-N 1 1 398.359 4.194 20 0 GIADMO O=C(Nc1cccc(C2CC2)n1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455623799 822685904 /nfs/dbraw/zinc/68/59/04/822685904.db2.gz WYURTGCLOCXWKD-IRLDBZIGSA-N 1 1 390.531 4.477 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)Nc3cccc(C4CC4)n3)CC2)cs1 ZINC000455624789 822686114 /nfs/dbraw/zinc/68/61/14/822686114.db2.gz YPVGGEBFDUYGDC-UHFFFAOYSA-N 1 1 399.564 4.012 20 0 GIADMO CCC[C@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000180471576 822687919 /nfs/dbraw/zinc/68/79/19/822687919.db2.gz YLYPZEMUZMZGNT-GSPCLOLRSA-N 1 1 384.564 4.095 20 0 GIADMO CCC[C@@H]1C[C@@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000180471558 822687939 /nfs/dbraw/zinc/68/79/39/822687939.db2.gz YLYPZEMUZMZGNT-WBADGQHESA-N 1 1 384.564 4.095 20 0 GIADMO COc1sc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1Br ZINC000184776723 822689336 /nfs/dbraw/zinc/68/93/36/822689336.db2.gz VEBNNKLXAPRVJQ-UHFFFAOYSA-N 1 1 392.322 4.494 20 0 GIADMO C[C@@H]([NH2+]Cc1cnc(Cl)s1)c1cc2c(cc1Br)OCCO2 ZINC000180484046 822689627 /nfs/dbraw/zinc/68/96/27/822689627.db2.gz VDCJWLRYTNFNCD-MRVPVSSYSA-N 1 1 389.702 4.181 20 0 GIADMO Fc1ccc(CCN2CCC([NH2+]Cc3nc4ccccc4n3C3CC3)CC2)cc1 ZINC000184782690 822690186 /nfs/dbraw/zinc/69/01/86/822690186.db2.gz QTWUMVPGWZSXQV-UHFFFAOYSA-N 1 1 392.522 4.307 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000184783214 822690304 /nfs/dbraw/zinc/69/03/04/822690304.db2.gz HOOIRJBWVJRMSG-IBGZPJMESA-N 1 1 393.531 4.085 20 0 GIADMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3ncnn3CC(C)C)s2)cc1 ZINC000184785834 822690746 /nfs/dbraw/zinc/69/07/46/822690746.db2.gz OSVDKCHDMBGJME-AWEZNQCLSA-N 1 1 385.537 4.225 20 0 GIADMO C[C@H](NC(=O)N[C@H](c1ccccc1)C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455664201 822694669 /nfs/dbraw/zinc/69/46/69/822694669.db2.gz YFSRSUXRDUJDGJ-FFZOFVMBSA-N 1 1 387.474 4.203 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000180523003 822695805 /nfs/dbraw/zinc/69/58/05/822695805.db2.gz FSKRMVFYDHTIAE-APPDUMDISA-N 1 1 395.334 4.348 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000180523003 822695807 /nfs/dbraw/zinc/69/58/07/822695807.db2.gz FSKRMVFYDHTIAE-APPDUMDISA-N 1 1 395.334 4.348 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C(=O)N1CCc2ccccc2C1 ZINC000180525069 822696000 /nfs/dbraw/zinc/69/60/00/822696000.db2.gz ANCQKKZDWKPNAQ-IRXDYDNUSA-N 1 1 391.540 4.434 20 0 GIADMO CCOc1cc(C[N@@H+]2CCOC3(CCOCC3)C2)ccc1OCc1ccccc1 ZINC000180527346 822696453 /nfs/dbraw/zinc/69/64/53/822696453.db2.gz AMCZLCGKIMMOPJ-UHFFFAOYSA-N 1 1 397.515 4.046 20 0 GIADMO CCOc1cc(C[N@H+]2CCOC3(CCOCC3)C2)ccc1OCc1ccccc1 ZINC000180527346 822696454 /nfs/dbraw/zinc/69/64/54/822696454.db2.gz AMCZLCGKIMMOPJ-UHFFFAOYSA-N 1 1 397.515 4.046 20 0 GIADMO Cc1cc(Br)c(F)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000184837648 822697918 /nfs/dbraw/zinc/69/79/18/822697918.db2.gz OHJWSLIWNNRJPM-KGLIPLIRSA-N 1 1 398.320 4.376 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(Cl)cn2)cc1 ZINC000180536292 822698248 /nfs/dbraw/zinc/69/82/48/822698248.db2.gz CORACZYWYYQXBM-MRXNPFEDSA-N 1 1 386.927 4.109 20 0 GIADMO CN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000455678059 822698506 /nfs/dbraw/zinc/69/85/06/822698506.db2.gz WPFJERMUIUQWCT-GMAHTHKFSA-N 1 1 393.531 4.319 20 0 GIADMO O=C(Nc1ccc(C2CCC2)cn1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455678087 822698559 /nfs/dbraw/zinc/69/85/59/822698559.db2.gz XAWHYIWTWAYENN-XMMPIXPASA-N 1 1 390.531 4.479 20 0 GIADMO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000180540303 822698687 /nfs/dbraw/zinc/69/86/87/822698687.db2.gz BMJCEFOOSRCGAC-HNNXBMFYSA-N 1 1 396.318 4.067 20 0 GIADMO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000180540303 822698688 /nfs/dbraw/zinc/69/86/88/822698688.db2.gz BMJCEFOOSRCGAC-HNNXBMFYSA-N 1 1 396.318 4.067 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455684350 822700521 /nfs/dbraw/zinc/70/05/21/822700521.db2.gz ZQXYUIBBGJYOCV-LJQANCHMSA-N 1 1 378.520 4.335 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)NCc1ccc(Cl)s1 ZINC000180556973 822701806 /nfs/dbraw/zinc/70/18/06/822701806.db2.gz GCCFQWOGDUCROD-CYBMUJFWSA-N 1 1 394.821 4.440 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000455690169 822702669 /nfs/dbraw/zinc/70/26/69/822702669.db2.gz FBWIWCJAINPXPN-WBVHZDCISA-N 1 1 379.291 4.264 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000455690169 822702670 /nfs/dbraw/zinc/70/26/70/822702670.db2.gz FBWIWCJAINPXPN-WBVHZDCISA-N 1 1 379.291 4.264 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455691175 822703024 /nfs/dbraw/zinc/70/30/24/822703024.db2.gz HHYXJFOKZXAPAF-OAQYLSRUSA-N 1 1 384.911 4.173 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000180604013 822709951 /nfs/dbraw/zinc/70/99/51/822709951.db2.gz YXOOCBLSRXCLQR-FPOVZHCZSA-N 1 1 383.467 4.309 20 0 GIADMO Cn1cc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c(C2CCCCC2)n1 ZINC000455716074 822711547 /nfs/dbraw/zinc/71/15/47/822711547.db2.gz PKLJWLUVBAEKLC-UHFFFAOYSA-N 1 1 375.561 4.244 20 0 GIADMO C[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1n1ccnc1 ZINC000180611807 822712115 /nfs/dbraw/zinc/71/21/15/822712115.db2.gz CVMOYXQTANSFOV-KDOFPFPSSA-N 1 1 388.309 4.005 20 0 GIADMO C[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@@H]1n1ccnc1 ZINC000180611825 822712128 /nfs/dbraw/zinc/71/21/28/822712128.db2.gz CVMOYXQTANSFOV-KSSFIOAISA-N 1 1 388.309 4.005 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000050026784 822714925 /nfs/dbraw/zinc/71/49/25/822714925.db2.gz UPZXDHLWSXLQNV-JTHBVZDNSA-N 1 1 378.516 4.271 20 0 GIADMO CCCCn1cc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c(C)n1 ZINC000184932611 822715077 /nfs/dbraw/zinc/71/50/77/822715077.db2.gz DLWQTKSUQZFMBQ-UHFFFAOYSA-N 1 1 394.519 4.147 20 0 GIADMO CCCCn1cc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)n1 ZINC000184932611 822715078 /nfs/dbraw/zinc/71/50/78/822715078.db2.gz DLWQTKSUQZFMBQ-UHFFFAOYSA-N 1 1 394.519 4.147 20 0 GIADMO O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000050028806 822715089 /nfs/dbraw/zinc/71/50/89/822715089.db2.gz AJUZQTOOHAATAC-HSZRJFAPSA-N 1 1 390.527 4.020 20 0 GIADMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050032882 822715192 /nfs/dbraw/zinc/71/51/92/822715192.db2.gz PQWKAUZGAZJOSZ-HXUWFJFHSA-N 1 1 391.515 4.194 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)c3ccc([C@@H](C)C(F)(F)F)cc3)CC2)[nH+]c1 ZINC000455732834 822716316 /nfs/dbraw/zinc/71/63/16/822716316.db2.gz NCTWVNRFQHPNAQ-OAHLLOKOSA-N 1 1 391.437 4.455 20 0 GIADMO COc1ccc(C(=O)C2CC[NH+](C[C@H](O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000184949579 822717316 /nfs/dbraw/zinc/71/73/16/822717316.db2.gz MRNFWFKEJGRFKM-FQEVSTJZSA-N 1 1 391.870 4.116 20 0 GIADMO Cc1sc([C@@H](C)[NH2+]CC(=O)N2CCCCC2)nc1-c1ccc(Cl)cc1 ZINC000184952729 822717688 /nfs/dbraw/zinc/71/76/88/822717688.db2.gz VPPIRYHBHWKCRC-CYBMUJFWSA-N 1 1 377.941 4.435 20 0 GIADMO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184956175 822718223 /nfs/dbraw/zinc/71/82/23/822718223.db2.gz GUORXTNWNMGUHH-LLVKDONJSA-N 1 1 396.354 4.138 20 0 GIADMO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(-c2ccccc2)o1 ZINC000184967163 822719476 /nfs/dbraw/zinc/71/94/76/822719476.db2.gz HLLOPHYGTXPBFA-GOSISDBHSA-N 1 1 389.499 4.387 20 0 GIADMO CCCn1ncc(NC(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455761175 822721462 /nfs/dbraw/zinc/72/14/62/822721462.db2.gz XTYDAKWZQBXZBN-HXUWFJFHSA-N 1 1 395.551 4.299 20 0 GIADMO CCCn1ncc(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1C1CC1 ZINC000455761201 822721669 /nfs/dbraw/zinc/72/16/69/822721669.db2.gz XXAGVTLEGKHFPH-HSZRJFAPSA-N 1 1 395.551 4.347 20 0 GIADMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000050273424 822723342 /nfs/dbraw/zinc/72/33/42/822723342.db2.gz QSZZDYJTNBVPQL-XMSQKQJNSA-N 1 1 396.487 4.206 20 0 GIADMO O=C(c1ccn(-c2ccccc2Cl)n1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000050333094 822726141 /nfs/dbraw/zinc/72/61/41/822726141.db2.gz NRTNRUAXLRQSMO-KRWDZBQOSA-N 1 1 392.890 4.151 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C(C)(F)F)[C@H](C)C1 ZINC000455809438 822730393 /nfs/dbraw/zinc/73/03/93/822730393.db2.gz OHAQVDJKAGFNRQ-NVXWUHKLSA-N 1 1 383.483 4.057 20 0 GIADMO CC(C)C(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000455811932 822730745 /nfs/dbraw/zinc/73/07/45/822730745.db2.gz GEKYBTGDZNAWPP-UHFFFAOYSA-N 1 1 379.504 4.265 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)c1nccs1 ZINC000185059839 822730853 /nfs/dbraw/zinc/73/08/53/822730853.db2.gz JHJWJIIXMSCROZ-OALUTQOASA-N 1 1 387.549 4.336 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000185067179 822731937 /nfs/dbraw/zinc/73/19/37/822731937.db2.gz AKHSJNMPPGDHGL-CYGHRXIMSA-N 1 1 394.481 4.320 20 0 GIADMO CCCn1ncc(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C1CC1 ZINC000455821902 822732249 /nfs/dbraw/zinc/73/22/49/822732249.db2.gz DFFOPAXWPVDSMP-CALCHBBNSA-N 1 1 375.561 4.050 20 0 GIADMO CCCn1ncc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C1CC1 ZINC000455838798 822734845 /nfs/dbraw/zinc/73/48/45/822734845.db2.gz WBBQGLPIAVZVTF-IYBDPMFKSA-N 1 1 375.561 4.049 20 0 GIADMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)N[C@H]1CCOc2ccccc21 ZINC000050783589 822738804 /nfs/dbraw/zinc/73/88/04/822738804.db2.gz WCTAPADVVTUSEE-URXFXBBRSA-N 1 1 390.458 4.145 20 0 GIADMO CC(C)([NH2+]Cn1nc2ccccn2c1=S)c1ccc(Br)cc1 ZINC000050898745 822742521 /nfs/dbraw/zinc/74/25/21/822742521.db2.gz NJAHRWHCYAPWEC-UHFFFAOYSA-N 1 1 377.311 4.110 20 0 GIADMO C[N@@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000050928112 822742613 /nfs/dbraw/zinc/74/26/13/822742613.db2.gz DEXDTLUNHKJZTQ-DYESRHJHSA-N 1 1 380.448 4.002 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC2CCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000185151768 822743321 /nfs/dbraw/zinc/74/33/21/822743321.db2.gz IBQYWYKSZSAEBW-IBGZPJMESA-N 1 1 388.552 4.125 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050961397 822743429 /nfs/dbraw/zinc/74/34/29/822743429.db2.gz WYMOKQDKRAXLKM-UHFFFAOYSA-N 1 1 394.849 4.290 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050961397 822743430 /nfs/dbraw/zinc/74/34/30/822743430.db2.gz WYMOKQDKRAXLKM-UHFFFAOYSA-N 1 1 394.849 4.290 20 0 GIADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051055333 822745187 /nfs/dbraw/zinc/74/51/87/822745187.db2.gz WVGSQZMFZCXMEU-RBUKOAKNSA-N 1 1 387.568 4.074 20 0 GIADMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051055333 822745190 /nfs/dbraw/zinc/74/51/90/822745190.db2.gz WVGSQZMFZCXMEU-RBUKOAKNSA-N 1 1 387.568 4.074 20 0 GIADMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000051061054 822745556 /nfs/dbraw/zinc/74/55/56/822745556.db2.gz LOFHHKPJOWFNJY-INIZCTEOSA-N 1 1 375.900 4.123 20 0 GIADMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051112154 822746692 /nfs/dbraw/zinc/74/66/92/822746692.db2.gz NGEHJNWLCGADOB-MOPGFXCFSA-N 1 1 391.515 4.068 20 0 GIADMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000051112154 822746693 /nfs/dbraw/zinc/74/66/93/822746693.db2.gz NGEHJNWLCGADOB-MOPGFXCFSA-N 1 1 391.515 4.068 20 0 GIADMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051131951 822747081 /nfs/dbraw/zinc/74/70/81/822747081.db2.gz FIRWENOPPQREQQ-WMZHIEFXSA-N 1 1 382.504 4.124 20 0 GIADMO C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133227 822747497 /nfs/dbraw/zinc/74/74/97/822747497.db2.gz ICTSMZNAZAASNO-QQKQFIJSSA-N 1 1 392.543 4.280 20 0 GIADMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133313 822747589 /nfs/dbraw/zinc/74/75/89/822747589.db2.gz DEWQFSABTJHXNU-UTSGNWPNSA-N 1 1 378.516 4.064 20 0 GIADMO C[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000185196777 822748121 /nfs/dbraw/zinc/74/81/21/822748121.db2.gz ALVJZIRCRCKSHA-HOTGVXAUSA-N 1 1 392.503 4.187 20 0 GIADMO C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCCO2)c1nc(C(C)(C)C)no1 ZINC000185214611 822750149 /nfs/dbraw/zinc/75/01/49/822750149.db2.gz NSNYIJMNNUNRLG-GFCCVEGCSA-N 1 1 379.888 4.075 20 0 GIADMO CCN(CC)[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455937379 822753317 /nfs/dbraw/zinc/75/33/17/822753317.db2.gz SIHJFEGFINVWJR-WOJBJXKFSA-N 1 1 384.524 4.033 20 0 GIADMO COc1ccc(C[C@H](C)C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1F ZINC000185242661 822753696 /nfs/dbraw/zinc/75/36/96/822753696.db2.gz BGRSQQJLQKNYLQ-IBGZPJMESA-N 1 1 399.554 4.047 20 0 GIADMO C[N@H+](Cc1ccc(Br)o1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051351466 822757396 /nfs/dbraw/zinc/75/73/96/822757396.db2.gz NVJQZIGLKVIGCN-ZDUSSCGKSA-N 1 1 378.188 4.226 20 0 GIADMO O=C(Nc1ccc2cnccc2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000455964831 822758303 /nfs/dbraw/zinc/75/83/03/822758303.db2.gz ANAUFEOZAQOZLI-UHFFFAOYSA-N 1 1 388.515 4.407 20 0 GIADMO Cc1ncc(C[N@@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000051408088 822758809 /nfs/dbraw/zinc/75/88/09/822758809.db2.gz CIMDZJSEYZLYGP-FYYLOGMGSA-N 1 1 396.556 4.359 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000455968485 822758866 /nfs/dbraw/zinc/75/88/66/822758866.db2.gz JYHPZWVRSZMKCN-GFCCVEGCSA-N 1 1 388.737 4.298 20 0 GIADMO C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051428307 822759625 /nfs/dbraw/zinc/75/96/25/822759625.db2.gz GDQOIWHHXAHQOC-IBGZPJMESA-N 1 1 375.394 4.057 20 0 GIADMO C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051428307 822759626 /nfs/dbraw/zinc/75/96/26/822759626.db2.gz GDQOIWHHXAHQOC-IBGZPJMESA-N 1 1 375.394 4.057 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCCSCc2cccc3ccccc32)CC[N@H+]1C ZINC000174274479 822761106 /nfs/dbraw/zinc/76/11/06/822761106.db2.gz RVUGQYAAZWOOND-PXNSSMCTSA-N 1 1 385.577 4.197 20 0 GIADMO Cc1cc[nH+]c(N2CCN(C(=O)c3ccc([C@H](C)C(F)(F)F)cc3)CC2)c1 ZINC000455982390 822761494 /nfs/dbraw/zinc/76/14/94/822761494.db2.gz LLQIHTNWFBFMOT-HNNXBMFYSA-N 1 1 377.410 4.018 20 0 GIADMO C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051476271 822761696 /nfs/dbraw/zinc/76/16/96/822761696.db2.gz NVWGRZPEJGDWPY-IBGZPJMESA-N 1 1 375.394 4.057 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000174281760 822762548 /nfs/dbraw/zinc/76/25/48/822762548.db2.gz UWYCQUQKLHUKEC-CQSZACIVSA-N 1 1 383.414 4.215 20 0 GIADMO COCc1ccc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)cc1 ZINC000174285593 822763136 /nfs/dbraw/zinc/76/31/36/822763136.db2.gz CDHUGLDWHKIGKP-CYBMUJFWSA-N 1 1 392.293 4.218 20 0 GIADMO C[C@H](c1ccc(NC(=O)[C@@H](C)CCOc2ccccc2)cc1)[NH+]1CCOCC1 ZINC000174294822 822765426 /nfs/dbraw/zinc/76/54/26/822765426.db2.gz HRPFSTDBSUDDDR-RBUKOAKNSA-N 1 1 382.504 4.124 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)s1 ZINC000185327655 822766741 /nfs/dbraw/zinc/76/67/41/822766741.db2.gz SIQCAMFYNIEXLZ-XHDPSFHLSA-N 1 1 399.438 4.418 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C2CC2)s1 ZINC000185342095 822768544 /nfs/dbraw/zinc/76/85/44/822768544.db2.gz LEFJJCNMUBKDMK-GDZNZVCISA-N 1 1 377.941 4.412 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C2CC2)s1 ZINC000185352373 822769798 /nfs/dbraw/zinc/76/97/98/822769798.db2.gz HHDNIZVZODYAOT-KRWDZBQOSA-N 1 1 398.359 4.458 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(Br)cc1Cl ZINC000174317715 822770064 /nfs/dbraw/zinc/77/00/64/822770064.db2.gz IPIPEXYHMKTKAH-UHFFFAOYSA-N 1 1 384.705 4.129 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccccc3C(C)(F)F)CC2)cs1 ZINC000456115285 822779355 /nfs/dbraw/zinc/77/93/55/822779355.db2.gz OZWADAHSYWFCBJ-UHFFFAOYSA-N 1 1 379.476 4.414 20 0 GIADMO CCN(C(C)=O)c1nc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)cs1 ZINC000185417900 822781289 /nfs/dbraw/zinc/78/12/89/822781289.db2.gz SZRWSTMKYKXCSX-NRFANRHFSA-N 1 1 395.528 4.006 20 0 GIADMO CC[N@H+](Cc1csc(-c2ccccn2)n1)CC1CCN(c2ccccn2)CC1 ZINC000174395556 822783722 /nfs/dbraw/zinc/78/37/22/822783722.db2.gz XWEAGVBFUZBKQN-UHFFFAOYSA-N 1 1 393.560 4.339 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2c(OC(C)C)ccc3ccccc32)C1 ZINC000185438597 822783930 /nfs/dbraw/zinc/78/39/30/822783930.db2.gz KFVAOCINSVHNFI-GOSISDBHSA-N 1 1 383.536 4.110 20 0 GIADMO CC(C)Oc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cn1 ZINC000174406743 822785954 /nfs/dbraw/zinc/78/59/54/822785954.db2.gz SHNGFEYOTLUVGP-IBGZPJMESA-N 1 1 390.911 4.370 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)Cn2c3ccccc3c3ccccc32)on1 ZINC000052007812 822786509 /nfs/dbraw/zinc/78/65/09/822786509.db2.gz RKLMAGNTEJUGHC-HTAPYJJXSA-N 1 1 375.472 4.289 20 0 GIADMO Cc1nc(C(C)(C)[NH2+]Cc2cnc3ccc(Br)cn23)sc1C ZINC000174415660 822787031 /nfs/dbraw/zinc/78/70/31/822787031.db2.gz DDPBECNEDULWCN-UHFFFAOYSA-N 1 1 379.327 4.195 20 0 GIADMO C[C@H](CCNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[N@@H+](C)Cc1ccccc1 ZINC000174418717 822787426 /nfs/dbraw/zinc/78/74/26/822787426.db2.gz ZQDHKSCVYDFPDL-QGZVFWFLSA-N 1 1 394.544 4.175 20 0 GIADMO C[C@H](CCNC(=O)c1cccnc1SC(F)F)[N@@H+](C)Cc1ccccc1 ZINC000174418932 822787447 /nfs/dbraw/zinc/78/74/47/822787447.db2.gz PJSMTFHMLWEGPE-CQSZACIVSA-N 1 1 379.476 4.037 20 0 GIADMO COc1ccc(-c2noc(C[N@@H+](C)CCCCc3ccccc3)n2)c(OC)c1 ZINC000052037745 822788864 /nfs/dbraw/zinc/78/88/64/822788864.db2.gz QCGUNLURAPFCBL-UHFFFAOYSA-N 1 1 381.476 4.209 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1)c1cn(-c2ccccc2)nn1 ZINC000185482280 822789270 /nfs/dbraw/zinc/78/92/70/822789270.db2.gz NBYSNWJAHRSBIB-MRXNPFEDSA-N 1 1 393.491 4.465 20 0 GIADMO CC(C)(C)OC(=O)CC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000174432198 822789348 /nfs/dbraw/zinc/78/93/48/822789348.db2.gz IQIMJTBCSQBGRS-UHFFFAOYSA-N 1 1 382.913 4.197 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)cc1OC ZINC000174448728 822791042 /nfs/dbraw/zinc/79/10/42/822791042.db2.gz XVVQDKONDMATPE-LJQANCHMSA-N 1 1 397.519 4.080 20 0 GIADMO COc1ccc(C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cc1OC ZINC000174450417 822791408 /nfs/dbraw/zinc/79/14/08/822791408.db2.gz QZVPXNRXTWUAAD-UHFFFAOYSA-N 1 1 380.488 4.219 20 0 GIADMO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000052162402 822791742 /nfs/dbraw/zinc/79/17/42/822791742.db2.gz NZIQPWVXVMGUOO-AWEZNQCLSA-N 1 1 388.924 4.278 20 0 GIADMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000052162402 822791745 /nfs/dbraw/zinc/79/17/45/822791745.db2.gz NZIQPWVXVMGUOO-AWEZNQCLSA-N 1 1 388.924 4.278 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000052186029 822792811 /nfs/dbraw/zinc/79/28/11/822792811.db2.gz KWYAPUQXSSJHGB-UHFFFAOYSA-N 1 1 387.351 4.343 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1 ZINC000174473532 822794760 /nfs/dbraw/zinc/79/47/60/822794760.db2.gz FJNRJCYXCNFGBV-SFHVURJKSA-N 1 1 386.923 4.333 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)N[C@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000052287414 822795562 /nfs/dbraw/zinc/79/55/62/822795562.db2.gz TWYWJLYVACGSDM-FQEVSTJZSA-N 1 1 382.533 4.465 20 0 GIADMO O=C(Nc1c(F)cccc1NC1CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000174497218 822797125 /nfs/dbraw/zinc/79/71/25/822797125.db2.gz UUBGPKYYGQCPMW-MRXNPFEDSA-N 1 1 385.458 4.390 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000456317288 822797855 /nfs/dbraw/zinc/79/78/55/822797855.db2.gz TVRSXZXWWGSIFU-ALOPSCKCSA-N 1 1 394.943 4.273 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000052412132 822798620 /nfs/dbraw/zinc/79/86/20/822798620.db2.gz PGEXMWKPJRFHKI-QGZVFWFLSA-N 1 1 398.934 4.454 20 0 GIADMO C[C@@H]1CN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456328958 822798981 /nfs/dbraw/zinc/79/89/81/822798981.db2.gz IHXXYTXCBUOMQY-RDPSFJRHSA-N 1 1 392.543 4.175 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC000174509954 822799076 /nfs/dbraw/zinc/79/90/76/822799076.db2.gz LWXJEHZQGJLTJM-MRXNPFEDSA-N 1 1 395.528 4.484 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c(OC)c1 ZINC000052431942 822799428 /nfs/dbraw/zinc/79/94/28/822799428.db2.gz OQXIBCZIPWPNQU-YADHBBJMSA-N 1 1 394.515 4.204 20 0 GIADMO C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCN1C ZINC000174516974 822799970 /nfs/dbraw/zinc/79/99/70/822799970.db2.gz BJGZHSHSGRNPJF-UWJYYQICSA-N 1 1 378.495 4.251 20 0 GIADMO C[C@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000174516974 822799971 /nfs/dbraw/zinc/79/99/71/822799971.db2.gz BJGZHSHSGRNPJF-UWJYYQICSA-N 1 1 378.495 4.251 20 0 GIADMO C[C@H]1C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000174516974 822799972 /nfs/dbraw/zinc/79/99/72/822799972.db2.gz BJGZHSHSGRNPJF-UWJYYQICSA-N 1 1 378.495 4.251 20 0 GIADMO CCCOc1ccc(-c2nc(C(=O)N3CC[C@H](C[N@@H+](C)CC)C3)cs2)cc1 ZINC000174521829 822800347 /nfs/dbraw/zinc/80/03/47/822800347.db2.gz JCKDKIPVNIVIKW-MRXNPFEDSA-N 1 1 387.549 4.013 20 0 GIADMO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000052466240 822800876 /nfs/dbraw/zinc/80/08/76/822800876.db2.gz GIGWRRUMQZPNFX-HNNXBMFYSA-N 1 1 384.505 4.080 20 0 GIADMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000052466240 822800879 /nfs/dbraw/zinc/80/08/79/822800879.db2.gz GIGWRRUMQZPNFX-HNNXBMFYSA-N 1 1 384.505 4.080 20 0 GIADMO C[C@@H]1CN(C(=O)CCc2cnc3ccccc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456350521 822801205 /nfs/dbraw/zinc/80/12/05/822801205.db2.gz WGVUNAMJQILJKX-FQEVSTJZSA-N 1 1 387.527 4.148 20 0 GIADMO CCC(CC)n1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1C ZINC000456351844 822801236 /nfs/dbraw/zinc/80/12/36/822801236.db2.gz XCSZHAROFBWVLP-GOSISDBHSA-N 1 1 382.552 4.147 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000052496142 822801624 /nfs/dbraw/zinc/80/16/24/822801624.db2.gz KPEIIBFYWQSNGC-ZDUSSCGKSA-N 1 1 379.555 4.043 20 0 GIADMO C[C@@H](CNC(=O)N(CCc1ccccc1)Cc1cccnc1)[N@H+]1CCCC[C@@H]1C ZINC000052524677 822802712 /nfs/dbraw/zinc/80/27/12/822802712.db2.gz KYKDTHWYXFYLNE-SFTDATJTSA-N 1 1 394.563 4.099 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)C1 ZINC000174537448 822802732 /nfs/dbraw/zinc/80/27/32/822802732.db2.gz OYQQEAMSVUGHIX-INIZCTEOSA-N 1 1 399.922 4.006 20 0 GIADMO COc1cc(C[N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)ccc1O ZINC000174540537 822802945 /nfs/dbraw/zinc/80/29/45/822802945.db2.gz MMGFNNRQTGZCNW-UHFFFAOYSA-N 1 1 383.275 4.168 20 0 GIADMO CCN(Cc1ccccc1)c1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000174542630 822803117 /nfs/dbraw/zinc/80/31/17/822803117.db2.gz FFCSQGWVOOXLFI-OAQYLSRUSA-N 1 1 379.548 4.127 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)C1 ZINC000174542679 822803150 /nfs/dbraw/zinc/80/31/50/822803150.db2.gz SHJQYQWQFZVWCP-INIZCTEOSA-N 1 1 387.549 4.011 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cs1)c1ccccc1 ZINC000185635849 822804904 /nfs/dbraw/zinc/80/49/04/822804904.db2.gz GSAZTVIXVYPOKN-QRWLVFNGSA-N 1 1 393.512 4.482 20 0 GIADMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(O)(c4ccccc4)CC3)cs2)c1 ZINC000185641508 822805858 /nfs/dbraw/zinc/80/58/58/822805858.db2.gz SSSFMJUDPPMBAV-UHFFFAOYSA-N 1 1 395.484 4.202 20 0 GIADMO C[C@H](NCC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674168 822808870 /nfs/dbraw/zinc/80/88/70/822808870.db2.gz MPUZWJCWVAVYNI-LSDHHAIUSA-N 1 1 397.535 4.182 20 0 GIADMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000052746308 822809139 /nfs/dbraw/zinc/80/91/39/822809139.db2.gz AETCDDUWDXDSHG-UHFFFAOYSA-N 1 1 387.321 4.152 20 0 GIADMO CCn1c2ccccc2c2cc(NC(=O)C[N@@H+](C[C@H]3CCOC3)C3CC3)ccc21 ZINC000052752944 822809746 /nfs/dbraw/zinc/80/97/46/822809746.db2.gz STKCKGOPXMDXIB-QGZVFWFLSA-N 1 1 391.515 4.254 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000174602831 822810925 /nfs/dbraw/zinc/81/09/25/822810925.db2.gz PHVAVKMARZAWFT-MRXNPFEDSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000174602831 822810928 /nfs/dbraw/zinc/81/09/28/822810928.db2.gz PHVAVKMARZAWFT-MRXNPFEDSA-N 1 1 394.450 4.035 20 0 GIADMO COC(=O)COc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000185701634 822811678 /nfs/dbraw/zinc/81/16/78/822811678.db2.gz NRYBTSFNLPIABV-HOTGVXAUSA-N 1 1 380.444 4.305 20 0 GIADMO CC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000174616802 822812963 /nfs/dbraw/zinc/81/29/63/822812963.db2.gz VUDHMSYXKKWPCV-KKSFZXQISA-N 1 1 395.528 4.137 20 0 GIADMO CC[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H](C)c1cccc(O)c1 ZINC000174616802 822812967 /nfs/dbraw/zinc/81/29/67/822812967.db2.gz VUDHMSYXKKWPCV-KKSFZXQISA-N 1 1 395.528 4.137 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCc3cccnc3)C2)n1 ZINC000052863040 822813160 /nfs/dbraw/zinc/81/31/60/822813160.db2.gz LILRJVJXUBDXIU-KRWDZBQOSA-N 1 1 398.894 4.385 20 0 GIADMO O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000456543349 822814529 /nfs/dbraw/zinc/81/45/29/822814529.db2.gz PXBZQZRLESQIOX-HSALFYBXSA-N 1 1 384.545 4.139 20 0 GIADMO CC(C)[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1cccc(Cl)c1 ZINC000052907003 822814822 /nfs/dbraw/zinc/81/48/22/822814822.db2.gz ADMCVVKGLQJOBH-UHFFFAOYSA-N 1 1 399.922 4.081 20 0 GIADMO CC(C)[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1cccc(Cl)c1 ZINC000052907003 822814825 /nfs/dbraw/zinc/81/48/25/822814825.db2.gz ADMCVVKGLQJOBH-UHFFFAOYSA-N 1 1 399.922 4.081 20 0 GIADMO C[C@@H](NCc1coc(-c2c(F)cccc2F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730394 822815555 /nfs/dbraw/zinc/81/55/55/822815555.db2.gz MPHPEQOEGVBOMZ-CABCVRRESA-N 1 1 375.463 4.362 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC4(CCC4)[C@@H]3c3ccco3)CC2)cs1 ZINC000456562931 822816298 /nfs/dbraw/zinc/81/62/98/822816298.db2.gz LVBNUPADRSEBDF-IBGZPJMESA-N 1 1 385.533 4.010 20 0 GIADMO C[C@H](NCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751766 822817630 /nfs/dbraw/zinc/81/76/30/822817630.db2.gz PFBSRMFQWRTWGM-KBPBESRZSA-N 1 1 384.351 4.175 20 0 GIADMO C[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750261 822817762 /nfs/dbraw/zinc/81/77/62/822817762.db2.gz PPMYLQFPSJIPRQ-ZBFHGGJFSA-N 1 1 375.463 4.362 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000174653556 822818349 /nfs/dbraw/zinc/81/83/49/822818349.db2.gz MTBMNUSQICACMK-INIZCTEOSA-N 1 1 397.485 4.110 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760676 822818567 /nfs/dbraw/zinc/81/85/67/822818567.db2.gz SWTVPMWYHVDQRO-IXDOHACOSA-N 1 1 377.960 4.218 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000053091938 822821438 /nfs/dbraw/zinc/82/14/38/822821438.db2.gz XWPFOUSGDDTONL-MRXNPFEDSA-N 1 1 381.476 4.046 20 0 GIADMO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccccc3C(F)(F)F)C3CC3)nc12 ZINC000053109254 822822062 /nfs/dbraw/zinc/82/20/62/822822062.db2.gz CMGKZLGBKRTHNL-UHFFFAOYSA-N 1 1 387.405 4.186 20 0 GIADMO C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677706 822822153 /nfs/dbraw/zinc/82/21/53/822822153.db2.gz UKXUTCUGKRKACW-KRWDZBQOSA-N 1 1 382.895 4.491 20 0 GIADMO CC(=O)c1ccccc1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000174682013 822822678 /nfs/dbraw/zinc/82/26/78/822822678.db2.gz SVUIIDWJMLETJD-UHFFFAOYSA-N 1 1 384.907 4.185 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000174684094 822822937 /nfs/dbraw/zinc/82/29/37/822822937.db2.gz OUZUDLSKLGPVBX-NFBKMPQASA-N 1 1 378.541 4.078 20 0 GIADMO Cc1cccc(NC(=O)C2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)n1 ZINC000053165315 822824243 /nfs/dbraw/zinc/82/42/43/822824243.db2.gz PXRWNAIWMGOFSP-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000053170374 822824335 /nfs/dbraw/zinc/82/43/35/822824335.db2.gz KWSYNPMPMGFGEC-UHFFFAOYSA-N 1 1 380.536 4.471 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N(C)Cc3cc4ccccc4o3)CC2)cs1 ZINC000174696733 822824859 /nfs/dbraw/zinc/82/48/59/822824859.db2.gz NPPKHIIZCZLUSU-UHFFFAOYSA-N 1 1 383.517 4.068 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000053179857 822824921 /nfs/dbraw/zinc/82/49/21/822824921.db2.gz KQYYWEPSZITLID-UHFFFAOYSA-N 1 1 376.504 4.122 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)NCC[N@H+](C)Cc2ccccc2)on1 ZINC000053349500 822831229 /nfs/dbraw/zinc/83/12/29/822831229.db2.gz PDQSKDBEGQEPKT-UHFFFAOYSA-N 1 1 395.528 4.137 20 0 GIADMO C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)N1CCCCCC1 ZINC000456797636 822832138 /nfs/dbraw/zinc/83/21/38/822832138.db2.gz XRWYIEPLHSDLOT-MRXNPFEDSA-N 1 1 393.959 4.016 20 0 GIADMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000053399410 822833002 /nfs/dbraw/zinc/83/30/02/822833002.db2.gz SEOHIFSMEJUDST-GOEBONIOSA-N 1 1 382.323 4.087 20 0 GIADMO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)c1nc(C(F)(F)F)cs1 ZINC000185920456 822833559 /nfs/dbraw/zinc/83/35/59/822833559.db2.gz KYEJTNJZTYBYCV-YPMHNXCESA-N 1 1 394.846 4.296 20 0 GIADMO CC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)c1nc(C(F)(F)F)cs1 ZINC000185920418 822833608 /nfs/dbraw/zinc/83/36/08/822833608.db2.gz KYEJTNJZTYBYCV-AAEUAGOBSA-N 1 1 394.846 4.296 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000053417449 822833896 /nfs/dbraw/zinc/83/38/96/822833896.db2.gz BDLPSCKPBBLYKA-CALCHBBNSA-N 1 1 386.565 4.023 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000053417548 822834010 /nfs/dbraw/zinc/83/40/10/822834010.db2.gz NZFMMZMPZJSEQM-HDICACEKSA-N 1 1 397.519 4.020 20 0 GIADMO CCO[C@H](C)c1noc(C[N@H+](C)[C@H](CC)Cc2ccccc2Br)n1 ZINC000185926570 822834395 /nfs/dbraw/zinc/83/43/95/822834395.db2.gz QCGAYRPMIYJSLO-UKRRQHHQSA-N 1 1 396.329 4.383 20 0 GIADMO CCO[C@H](C)c1noc(C[N@@H+](C)[C@H](CC)Cc2ccccc2Br)n1 ZINC000185926570 822834398 /nfs/dbraw/zinc/83/43/98/822834398.db2.gz QCGAYRPMIYJSLO-UKRRQHHQSA-N 1 1 396.329 4.383 20 0 GIADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](C)C(=O)c2cccc(F)c2)c1 ZINC000174767912 822834532 /nfs/dbraw/zinc/83/45/32/822834532.db2.gz RIXBYYWKRNNCEZ-KRWDZBQOSA-N 1 1 384.495 4.191 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)cc1 ZINC000174769766 822834834 /nfs/dbraw/zinc/83/48/34/822834834.db2.gz PUBNJFYMBAKNMT-VQTJNVASSA-N 1 1 386.540 4.150 20 0 GIADMO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(OCC(F)(F)F)c1 ZINC000174793043 822837656 /nfs/dbraw/zinc/83/76/56/822837656.db2.gz PRCLFNKCTHVLNF-CVEARBPZSA-N 1 1 399.457 4.415 20 0 GIADMO Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C ZINC000174796586 822838140 /nfs/dbraw/zinc/83/81/40/822838140.db2.gz XTONGOCSRBJZAB-ZWKOTPCHSA-N 1 1 395.507 4.056 20 0 GIADMO CC(=O)Nc1cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1F ZINC000053513369 822838145 /nfs/dbraw/zinc/83/81/45/822838145.db2.gz RBGZZXBSCGNINX-MRXNPFEDSA-N 1 1 397.494 4.089 20 0 GIADMO CC[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)c1nc(C(F)(F)F)cs1 ZINC000185965332 822838556 /nfs/dbraw/zinc/83/85/56/822838556.db2.gz AQDANKAVPPZRGG-AAEUAGOBSA-N 1 1 399.438 4.124 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(Cl)s1 ZINC000174799685 822838756 /nfs/dbraw/zinc/83/87/56/822838756.db2.gz XLMQIZREEJJKSC-INIZCTEOSA-N 1 1 377.941 4.065 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccccc2OC)C1 ZINC000174801121 822839019 /nfs/dbraw/zinc/83/90/19/822839019.db2.gz YKVKCWMNUZSSBO-CVDCTZTESA-N 1 1 395.547 4.158 20 0 GIADMO Cc1c(Br)cccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174804798 822839635 /nfs/dbraw/zinc/83/96/35/822839635.db2.gz PWYLWJJKEFNPLS-CABCVRRESA-N 1 1 380.330 4.237 20 0 GIADMO Cc1nc2ccc(NC(=O)NC[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cc2o1 ZINC000174810893 822840693 /nfs/dbraw/zinc/84/06/93/822840693.db2.gz OHIMENBNKXEZBH-LIRRHRJNSA-N 1 1 384.505 4.402 20 0 GIADMO CC[NH+](CC)[C@H](C(=O)Nc1cccc(CCO)c1)c1cccc(C(F)(F)F)c1 ZINC000456908392 822841199 /nfs/dbraw/zinc/84/11/99/822841199.db2.gz DMQVNVXIYNABKL-IBGZPJMESA-N 1 1 394.437 4.262 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(COC(C)(C)C)on2)CC[N@H+]1Cc1ccccc1 ZINC000185987911 822841473 /nfs/dbraw/zinc/84/14/73/822841473.db2.gz UCMYZDZFEKZFBT-HKUYNNGSSA-N 1 1 399.535 4.115 20 0 GIADMO CC(C)c1ccc(-c2ncc(C[NH+]3CCN(c4cccnn4)CC3)s2)cc1 ZINC000174840374 822844823 /nfs/dbraw/zinc/84/48/23/822844823.db2.gz QOQLZLIMIANOFX-UHFFFAOYSA-N 1 1 379.533 4.046 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)cc(=O)oc2c1 ZINC000053717991 822845849 /nfs/dbraw/zinc/84/58/49/822845849.db2.gz FGIFYVCMLVFBPK-HXUWFJFHSA-N 1 1 380.419 4.228 20 0 GIADMO COc1ccc([C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c2ccco2)cc1 ZINC000457014138 822846285 /nfs/dbraw/zinc/84/62/85/822846285.db2.gz WOLWVMCYCHQDEN-VGSWGCGISA-N 1 1 378.472 4.014 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(COC)c1 ZINC000174865355 822848608 /nfs/dbraw/zinc/84/86/08/822848608.db2.gz GFUYMZPCCDIKLA-OAQYLSRUSA-N 1 1 381.520 4.209 20 0 GIADMO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000053810661 822848875 /nfs/dbraw/zinc/84/88/75/822848875.db2.gz QPQWDXHKEUSPPL-UHFFFAOYSA-N 1 1 392.503 4.368 20 0 GIADMO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)o2)cc1 ZINC000053810661 822848879 /nfs/dbraw/zinc/84/88/79/822848879.db2.gz QPQWDXHKEUSPPL-UHFFFAOYSA-N 1 1 392.503 4.368 20 0 GIADMO COc1ccc(CCC2CC[NH+]([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000053847340 822850668 /nfs/dbraw/zinc/85/06/68/822850668.db2.gz HKFHIHCEZUXLRP-QGZVFWFLSA-N 1 1 391.515 4.338 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457079811 822850811 /nfs/dbraw/zinc/85/08/11/822850811.db2.gz SXDCREURNVSSSG-UHFFFAOYSA-N 1 1 387.549 4.188 20 0 GIADMO C[NH+](C)Cc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)cc1 ZINC000174913221 822854829 /nfs/dbraw/zinc/85/48/29/822854829.db2.gz AQLPJDHBAZOJIO-UHFFFAOYSA-N 1 1 383.673 4.122 20 0 GIADMO Cc1cn(-c2ccccc2)nc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000186140689 822855135 /nfs/dbraw/zinc/85/51/35/822855135.db2.gz NGHVQXRQBNWUHG-HXUWFJFHSA-N 1 1 394.563 4.297 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000174922374 822856351 /nfs/dbraw/zinc/85/63/51/822856351.db2.gz XTFSUBYZHAHWNW-IOMROCGXSA-N 1 1 384.470 4.049 20 0 GIADMO C[C@H](CC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(F)c(Br)c1 ZINC000457161199 822858135 /nfs/dbraw/zinc/85/81/35/822858135.db2.gz DBRWXPKYJFFGCV-CYBMUJFWSA-N 1 1 385.321 4.072 20 0 GIADMO C[N@@H+](CCCCNC(=O)Cn1c2ccccc2nc1C1CCCCC1)C1CC1 ZINC000457171017 822858681 /nfs/dbraw/zinc/85/86/81/822858681.db2.gz RFWUEXSWRMHFKY-UHFFFAOYSA-N 1 1 382.552 4.075 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1 ZINC000054011989 822858965 /nfs/dbraw/zinc/85/89/65/822858965.db2.gz MKYRFGUUSQYPOD-UHFFFAOYSA-N 1 1 387.443 4.357 20 0 GIADMO Cc1cc(Br)cc2c(C(=O)NCCCC[N@H+](C)C3CC3)coc21 ZINC000457176820 822858996 /nfs/dbraw/zinc/85/89/96/822858996.db2.gz ZQXCGFNCKASDPG-UHFFFAOYSA-N 1 1 379.298 4.108 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(-c2ccsc2)s1 ZINC000174942767 822859057 /nfs/dbraw/zinc/85/90/57/822859057.db2.gz MBOWVOWLBFJUIJ-QGZVFWFLSA-N 1 1 397.569 4.466 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2ccccc2)n1 ZINC000174945964 822859398 /nfs/dbraw/zinc/85/93/98/822859398.db2.gz PIUDVPMMOMDBFE-LJQANCHMSA-N 1 1 391.540 4.404 20 0 GIADMO COc1ccccc1[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174950341 822859977 /nfs/dbraw/zinc/85/99/77/822859977.db2.gz OPLHQPRPTSLYEA-FPOVZHCZSA-N 1 1 380.532 4.169 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000174950373 822860006 /nfs/dbraw/zinc/86/00/06/822860006.db2.gz ROXCAUDYDORELL-GFCCVEGCSA-N 1 1 392.758 4.249 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000174952008 822860234 /nfs/dbraw/zinc/86/02/34/822860234.db2.gz HZCKOSUQMOUIRP-OAQYLSRUSA-N 1 1 389.543 4.471 20 0 GIADMO COc1ccsc1[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000186206205 822860948 /nfs/dbraw/zinc/86/09/48/822860948.db2.gz ZDWXGXDCDKLRSR-SNVBAGLBSA-N 1 1 386.311 4.387 20 0 GIADMO CC(=O)Nc1cc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)ccc1F ZINC000054082707 822861536 /nfs/dbraw/zinc/86/15/36/822861536.db2.gz UOAVAAAJVWGEIP-UHFFFAOYSA-N 1 1 394.450 4.405 20 0 GIADMO CCC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960096 822861594 /nfs/dbraw/zinc/86/15/94/822861594.db2.gz KJEKSQYXMCJCIZ-HXUWFJFHSA-N 1 1 395.547 4.471 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960096 822861595 /nfs/dbraw/zinc/86/15/95/822861595.db2.gz KJEKSQYXMCJCIZ-HXUWFJFHSA-N 1 1 395.547 4.471 20 0 GIADMO Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000054082895 822861685 /nfs/dbraw/zinc/86/16/85/822861685.db2.gz KCLMLVCWWHHHOX-UHFFFAOYSA-N 1 1 377.488 4.444 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000054164528 822864667 /nfs/dbraw/zinc/86/46/67/822864667.db2.gz JPXNCXCBPNSXEW-UHFFFAOYSA-N 1 1 381.439 4.140 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000054164757 822864774 /nfs/dbraw/zinc/86/47/74/822864774.db2.gz PFXPBTYBHSMUBH-UHFFFAOYSA-N 1 1 384.439 4.298 20 0 GIADMO CCCN(CCC)C(=O)c1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000174993564 822864960 /nfs/dbraw/zinc/86/49/60/822864960.db2.gz VXPOKVWHTNRHSD-YADHBBJMSA-N 1 1 399.579 4.036 20 0 GIADMO O=c1[nH]c(CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)nc2ccccc21 ZINC000054174148 822865986 /nfs/dbraw/zinc/86/59/86/822865986.db2.gz WJIJMNIICPPPRC-UHFFFAOYSA-N 1 1 387.405 4.149 20 0 GIADMO Cc1c(COc2ccccc2)cccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175004902 822866113 /nfs/dbraw/zinc/86/61/13/822866113.db2.gz BYRCBFITJUNHLX-LJQANCHMSA-N 1 1 381.520 4.380 20 0 GIADMO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000175007211 822866455 /nfs/dbraw/zinc/86/64/55/822866455.db2.gz QYOSNXVTDYUTTB-HNNXBMFYSA-N 1 1 396.535 4.003 20 0 GIADMO c1[nH+]c2c(n1Cc1nc(-c3ccc(COc4ccccc4)cc3)no1)CCCC2 ZINC000568984405 822867591 /nfs/dbraw/zinc/86/75/91/822867591.db2.gz ONZRZRNHSNROBS-UHFFFAOYSA-N 1 1 386.455 4.439 20 0 GIADMO Brc1ccccc1-c1cnc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000568986559 822867701 /nfs/dbraw/zinc/86/77/01/822867701.db2.gz DFFUAVVMMQOYIW-KRWDZBQOSA-N 1 1 390.325 4.068 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000054202811 822868253 /nfs/dbraw/zinc/86/82/53/822868253.db2.gz GXXIZNGDQIOKHU-INIZCTEOSA-N 1 1 380.879 4.134 20 0 GIADMO O=C([C@@H]1CCCc2[nH+]ccn21)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457339759 822868457 /nfs/dbraw/zinc/86/84/57/822868457.db2.gz AXHPHVFRKFHPJH-SJORKVTESA-N 1 1 383.883 4.044 20 0 GIADMO CC(C)c1nc([C@H](C)[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)cs1 ZINC000186274630 822868588 /nfs/dbraw/zinc/86/85/88/822868588.db2.gz CRBAZOZEWWOWDU-GXTWGEPZSA-N 1 1 388.455 4.376 20 0 GIADMO Cc1c(F)cccc1NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000175020365 822868661 /nfs/dbraw/zinc/86/86/61/822868661.db2.gz IROAASLWPCCWTB-HOTGVXAUSA-N 1 1 385.483 4.065 20 0 GIADMO CC(C)c1ccc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000186277146 822869068 /nfs/dbraw/zinc/86/90/68/822869068.db2.gz LBOBXYWLTRJFFX-CALCHBBNSA-N 1 1 378.582 4.223 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)Cc1cccs1 ZINC000175022656 822869180 /nfs/dbraw/zinc/86/91/80/822869180.db2.gz CAYWYOLBFKQMBA-AZUAARDMSA-N 1 1 385.577 4.233 20 0 GIADMO COc1ccc2oc(C)c(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)c2c1 ZINC000054222916 822869218 /nfs/dbraw/zinc/86/92/18/822869218.db2.gz NUNSHSWBMHVBEY-YJBOKZPZSA-N 1 1 378.472 4.315 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2sccc2Br)C1 ZINC000054222981 822869272 /nfs/dbraw/zinc/86/92/72/822869272.db2.gz FQSSOUGXNQYIKC-JSGCOSHPSA-N 1 1 379.323 4.076 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2occc2COc2ccccc2)C1 ZINC000054224265 822869282 /nfs/dbraw/zinc/86/92/82/822869282.db2.gz AGJNTMUHSPYITO-RXVVDRJESA-N 1 1 390.483 4.424 20 0 GIADMO CC(=O)NCC[N@@H+](Cc1cccc(-c2ccc(C)cc2)c1)C1CCSCC1 ZINC000569013733 822869756 /nfs/dbraw/zinc/86/97/56/822869756.db2.gz MEUIMJFCPQOJAS-UHFFFAOYSA-N 1 1 382.573 4.496 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(OC(C)C)c(OC)c2)c1 ZINC000186285080 822870530 /nfs/dbraw/zinc/87/05/30/822870530.db2.gz DFSUEDIGLUYTCZ-UHFFFAOYSA-N 1 1 385.508 4.256 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1OC ZINC000175027795 822870563 /nfs/dbraw/zinc/87/05/63/822870563.db2.gz ZVAXQYGCAVUPSG-SJORKVTESA-N 1 1 394.943 4.225 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)CC2)[nH+]1 ZINC000175028428 822870736 /nfs/dbraw/zinc/87/07/36/822870736.db2.gz ZSIZQQCWRAWQFT-QFBILLFUSA-N 1 1 382.508 4.135 20 0 GIADMO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457379782 822871623 /nfs/dbraw/zinc/87/16/23/822871623.db2.gz ULIQYCWUACENOC-GUYCJALGSA-N 1 1 376.932 4.437 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000186291816 822871859 /nfs/dbraw/zinc/87/18/59/822871859.db2.gz PBQUFRAOLIEYRT-LYSIVYOWSA-N 1 1 398.576 4.319 20 0 GIADMO CCOC(=O)c1cc2cc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2s1 ZINC000175046307 822873129 /nfs/dbraw/zinc/87/31/29/822873129.db2.gz UNOOSUFCDDZJKM-CJNGLKHVSA-N 1 1 389.521 4.024 20 0 GIADMO C[C@H](c1nc(-c2ccccc2)no1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569054337 822874398 /nfs/dbraw/zinc/87/43/98/822874398.db2.gz HPBHXVRFGGVWRV-QIJUGHKUSA-N 1 1 388.515 4.252 20 0 GIADMO Cc1cc(Br)c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000457435006 822874862 /nfs/dbraw/zinc/87/48/62/822874862.db2.gz HWDYVBSSSNHRDL-BETUJISGSA-N 1 1 387.387 4.307 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1[nH]ccc1C1CC1 ZINC000457445475 822875596 /nfs/dbraw/zinc/87/55/96/822875596.db2.gz CAYDJZLRLTZUDF-HXUWFJFHSA-N 1 1 391.540 4.483 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1[nH]ccc1C1CC1 ZINC000457445475 822875600 /nfs/dbraw/zinc/87/56/00/822875600.db2.gz CAYDJZLRLTZUDF-HXUWFJFHSA-N 1 1 391.540 4.483 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000054324379 822876452 /nfs/dbraw/zinc/87/64/52/822876452.db2.gz ZVRHEXNUMDVLNV-JOCHJYFZSA-N 1 1 386.561 4.091 20 0 GIADMO O=C(c1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1)N1CCCC1 ZINC000054358858 822878328 /nfs/dbraw/zinc/87/83/28/822878328.db2.gz VDOMDKAIHBPQFE-FQEVSTJZSA-N 1 1 384.545 4.165 20 0 GIADMO Cc1noc(C)c1C[C@H](C)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000175081102 822878857 /nfs/dbraw/zinc/87/88/57/822878857.db2.gz QGYAVWKBZUSZTI-SFHVURJKSA-N 1 1 391.515 4.041 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccccc1SC(F)F ZINC000054383012 822879985 /nfs/dbraw/zinc/87/99/85/822879985.db2.gz MVZVAQAKMYHNNL-UHFFFAOYSA-N 1 1 383.489 4.243 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccccc1SC(F)F ZINC000054383012 822879990 /nfs/dbraw/zinc/87/99/90/822879990.db2.gz MVZVAQAKMYHNNL-UHFFFAOYSA-N 1 1 383.489 4.243 20 0 GIADMO CC(C)c1noc([C@@H](C)[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)n1 ZINC000054392923 822881589 /nfs/dbraw/zinc/88/15/89/822881589.db2.gz PWYLCQKMZAZBDM-OAHLLOKOSA-N 1 1 385.487 4.358 20 0 GIADMO CC(C)c1noc([C@@H](C)[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)n1 ZINC000054392923 822881594 /nfs/dbraw/zinc/88/15/94/822881594.db2.gz PWYLCQKMZAZBDM-OAHLLOKOSA-N 1 1 385.487 4.358 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(C)(C)CCCc2ccccc2)cc1 ZINC000175100655 822882063 /nfs/dbraw/zinc/88/20/63/822882063.db2.gz MCKHPBJIUBDOCD-UHFFFAOYSA-N 1 1 381.520 4.174 20 0 GIADMO Cc1ccc(-c2ccsc2C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1 ZINC000175102275 822882628 /nfs/dbraw/zinc/88/26/28/822882628.db2.gz MXZTZIVMWAEPQZ-UHFFFAOYSA-N 1 1 393.512 4.476 20 0 GIADMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000054427320 822884223 /nfs/dbraw/zinc/88/42/23/822884223.db2.gz RAJOXDBDLXBDMZ-UHFFFAOYSA-N 1 1 381.259 4.183 20 0 GIADMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000054427492 822884292 /nfs/dbraw/zinc/88/42/92/822884292.db2.gz RFYMTSYYVTZZSL-CYBMUJFWSA-N 1 1 383.473 4.047 20 0 GIADMO COc1cc(C[N@@H+](CCC(=O)Nc2ccccc2)C2CC2)ccc1OC(F)F ZINC000054428377 822884436 /nfs/dbraw/zinc/88/44/36/822884436.db2.gz BUEBNBQGOVMMHP-UHFFFAOYSA-N 1 1 390.430 4.290 20 0 GIADMO CCOc1cc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1OC ZINC000054434520 822885222 /nfs/dbraw/zinc/88/52/22/822885222.db2.gz RBPQXRSMRCXOPG-QFBILLFUSA-N 1 1 383.492 4.051 20 0 GIADMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CCN1Cc1ccccc1 ZINC000186393434 822887074 /nfs/dbraw/zinc/88/70/74/822887074.db2.gz VIQDSFCZZKJYBP-GCJKJVERSA-N 1 1 380.532 4.474 20 0 GIADMO C[C@@H]1C[C@@H](NCc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1Cc1ccccc1 ZINC000186393434 822887080 /nfs/dbraw/zinc/88/70/80/822887080.db2.gz VIQDSFCZZKJYBP-GCJKJVERSA-N 1 1 380.532 4.474 20 0 GIADMO C[C@@H]1C[C@@H](NCc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1Cc1ccccc1 ZINC000186393434 822887086 /nfs/dbraw/zinc/88/70/86/822887086.db2.gz VIQDSFCZZKJYBP-GCJKJVERSA-N 1 1 380.532 4.474 20 0 GIADMO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CCN1Cc1ccccc1 ZINC000186393394 822887150 /nfs/dbraw/zinc/88/71/50/822887150.db2.gz VIQDSFCZZKJYBP-XMSQKQJNSA-N 1 1 380.532 4.474 20 0 GIADMO C[C@@H]1C[C@H](NCc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1Cc1ccccc1 ZINC000186393394 822887153 /nfs/dbraw/zinc/88/71/53/822887153.db2.gz VIQDSFCZZKJYBP-XMSQKQJNSA-N 1 1 380.532 4.474 20 0 GIADMO C[C@@H]1C[C@H](NCc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1Cc1ccccc1 ZINC000186393394 822887157 /nfs/dbraw/zinc/88/71/57/822887157.db2.gz VIQDSFCZZKJYBP-XMSQKQJNSA-N 1 1 380.532 4.474 20 0 GIADMO Fc1cccc(F)c1Cc1noc(-c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000569169575 822887882 /nfs/dbraw/zinc/88/78/82/822887882.db2.gz UBLQZHBTUWVVBU-UHFFFAOYSA-N 1 1 389.312 4.124 20 0 GIADMO CC[C@H]1Cc2ccccc2CN1C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000186400167 822888233 /nfs/dbraw/zinc/88/82/33/822888233.db2.gz HKCLHCBMHXLMDY-NRFANRHFSA-N 1 1 383.561 4.027 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1 ZINC000186402143 822888771 /nfs/dbraw/zinc/88/87/71/822888771.db2.gz OKUUSCPQWNQJOL-UHFFFAOYSA-N 1 1 399.491 4.177 20 0 GIADMO CC(C)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000175135669 822889747 /nfs/dbraw/zinc/88/97/47/822889747.db2.gz BHNCBBMHRQAFJY-XLIONFOSSA-N 1 1 399.560 4.009 20 0 GIADMO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2O1 ZINC000569185394 822889956 /nfs/dbraw/zinc/88/99/56/822889956.db2.gz ACDULQHBPKETMP-PGRDOPGGSA-N 1 1 381.476 4.105 20 0 GIADMO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2O1 ZINC000569185394 822889962 /nfs/dbraw/zinc/88/99/62/822889962.db2.gz ACDULQHBPKETMP-PGRDOPGGSA-N 1 1 381.476 4.105 20 0 GIADMO COc1cc(Br)c(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cc1OC ZINC000186410690 822890118 /nfs/dbraw/zinc/89/01/18/822890118.db2.gz IHQRMNVIHKFSSO-GUYCJALGSA-N 1 1 391.309 4.444 20 0 GIADMO COc1cc(Br)c(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cc1OC ZINC000186410690 822890122 /nfs/dbraw/zinc/89/01/22/822890122.db2.gz IHQRMNVIHKFSSO-GUYCJALGSA-N 1 1 391.309 4.444 20 0 GIADMO COc1cc(Br)c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1OC ZINC000186410636 822890195 /nfs/dbraw/zinc/89/01/95/822890195.db2.gz IHQRMNVIHKFSSO-CXAGYDPISA-N 1 1 391.309 4.444 20 0 GIADMO COc1cc(Br)c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1OC ZINC000186410636 822890201 /nfs/dbraw/zinc/89/02/01/822890201.db2.gz IHQRMNVIHKFSSO-CXAGYDPISA-N 1 1 391.309 4.444 20 0 GIADMO CCOc1cccc(CNC(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175142596 822890761 /nfs/dbraw/zinc/89/07/61/822890761.db2.gz BMCOERZRTOOSTF-QFIPXVFZSA-N 1 1 395.547 4.139 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)C2)C1 ZINC000457558445 822890852 /nfs/dbraw/zinc/89/08/52/822890852.db2.gz TWYBVCIVTIQXFU-APWZRJJASA-N 1 1 379.957 4.004 20 0 GIADMO CC[C@H](CC(F)F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000457565725 822892244 /nfs/dbraw/zinc/89/22/44/822892244.db2.gz HYXFGZMGONGROZ-UKRRQHHQSA-N 1 1 378.385 4.077 20 0 GIADMO CCn1c(-c2ccccc2)nn(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1=S ZINC000054519371 822892690 /nfs/dbraw/zinc/89/26/90/822892690.db2.gz HUTFFBYBRRXHBO-HXUWFJFHSA-N 1 1 393.560 4.047 20 0 GIADMO CN(C)C(=O)Sc1cccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1 ZINC000186426386 822892888 /nfs/dbraw/zinc/89/28/88/822892888.db2.gz UHJDQPYALQVWAE-UHFFFAOYSA-N 1 1 382.533 4.372 20 0 GIADMO Cc1ccccc1Oc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)nc1 ZINC000457579214 822894019 /nfs/dbraw/zinc/89/40/19/822894019.db2.gz OMFZIKNGSOPLRX-UHFFFAOYSA-N 1 1 379.504 4.273 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[C@H](C)C1 ZINC000457583435 822894300 /nfs/dbraw/zinc/89/43/00/822894300.db2.gz AECNJQZXIJJJAJ-QRWLVFNGSA-N 1 1 387.911 4.330 20 0 GIADMO Cc1nc2nc(=S)n(C[N@@H+]3CCC[C@H]3CCc3ccccc3)n2c(C)c1C ZINC000054549642 822894782 /nfs/dbraw/zinc/89/47/82/822894782.db2.gz NVZPRAYFBMSSMM-IBGZPJMESA-N 1 1 381.549 4.240 20 0 GIADMO Cc1nc2nc(=S)n(C[N@H+]3CCC[C@H]3CCc3ccccc3)n2c(C)c1C ZINC000054549642 822894787 /nfs/dbraw/zinc/89/47/87/822894787.db2.gz NVZPRAYFBMSSMM-IBGZPJMESA-N 1 1 381.549 4.240 20 0 GIADMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cnc2cnccc2c1)c1ccc(Cl)cc1 ZINC000569250453 822896610 /nfs/dbraw/zinc/89/66/10/822896610.db2.gz QWERBKSYIPMUQU-FQEVSTJZSA-N 1 1 382.895 4.096 20 0 GIADMO Cc1oc2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2c1C ZINC000186446382 822897021 /nfs/dbraw/zinc/89/70/21/822897021.db2.gz DZIBOAXUYHMMNO-SPYBWZPUSA-N 1 1 385.508 4.155 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000054607141 822898705 /nfs/dbraw/zinc/89/87/05/822898705.db2.gz QNFPGYYRWILMNE-LJQANCHMSA-N 1 1 377.492 4.162 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)s1 ZINC000457629601 822898891 /nfs/dbraw/zinc/89/88/91/822898891.db2.gz WHMKEGSOBOGVMO-YQQQUEKLSA-N 1 1 384.545 4.381 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000054609836 822899022 /nfs/dbraw/zinc/89/90/22/822899022.db2.gz XUFGMCVLNMYAID-CQSZACIVSA-N 1 1 383.883 4.132 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)Cc1cccc2ccccc21 ZINC000054610504 822899058 /nfs/dbraw/zinc/89/90/58/822899058.db2.gz DXCKVTLEXTZWLD-UHFFFAOYSA-N 1 1 385.471 4.071 20 0 GIADMO O=C(c1ocnc1C1CC1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000569272993 822899456 /nfs/dbraw/zinc/89/94/56/822899456.db2.gz PBVGPXHYBJIHJA-UHFFFAOYSA-N 1 1 379.504 4.213 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc(-n2cccn2)c1 ZINC000186464067 822899462 /nfs/dbraw/zinc/89/94/62/822899462.db2.gz BVQADMLBZSUPQU-OAHLLOKOSA-N 1 1 392.894 4.172 20 0 GIADMO Cc1ccc(NC(=O)CCn2cc[nH+]c2C(C)C)cc1OCC1CCOCC1 ZINC000175183487 822899745 /nfs/dbraw/zinc/89/97/45/822899745.db2.gz OXAYYHXUJWGNIW-UHFFFAOYSA-N 1 1 385.508 4.149 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C2CC2)n1 ZINC000186467008 822899940 /nfs/dbraw/zinc/89/99/40/822899940.db2.gz RTTFPBLFGOFWKR-ZBFHGGJFSA-N 1 1 395.450 4.317 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C2CC2)s1 ZINC000186469478 822900375 /nfs/dbraw/zinc/90/03/75/822900375.db2.gz ATVCGVLNHADGFK-ZBFHGGJFSA-N 1 1 395.450 4.317 20 0 GIADMO CC[C@@H](C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1ccccc1 ZINC000569280459 822900728 /nfs/dbraw/zinc/90/07/28/822900728.db2.gz NKNJLHAJMKEWCR-XLIONFOSSA-N 1 1 377.488 4.429 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1cc2ccccc2o1 ZINC000175200402 822902774 /nfs/dbraw/zinc/90/27/74/822902774.db2.gz OTMVHDMBTBAOST-HXUWFJFHSA-N 1 1 391.515 4.139 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457661603 822902903 /nfs/dbraw/zinc/90/29/03/822902903.db2.gz IHQSKPOBCDAHNU-ZWKOTPCHSA-N 1 1 390.478 4.258 20 0 GIADMO Cc1ccc(S(=O)(=O)C[C@@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000186492270 822904220 /nfs/dbraw/zinc/90/42/20/822904220.db2.gz CFJVBADUMOLFTB-OAHLLOKOSA-N 1 1 383.517 4.033 20 0 GIADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457669777 822904281 /nfs/dbraw/zinc/90/42/81/822904281.db2.gz NSRBHESFJWRWDX-QRWLVFNGSA-N 1 1 385.895 4.084 20 0 GIADMO C[C@H](c1ccccc1Cl)N(C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054684176 822906033 /nfs/dbraw/zinc/90/60/33/822906033.db2.gz WLDWOIBFLMHRNH-CQSZACIVSA-N 1 1 377.941 4.162 20 0 GIADMO C[C@H](c1ccccc1Cl)N(C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054684176 822906036 /nfs/dbraw/zinc/90/60/36/822906036.db2.gz WLDWOIBFLMHRNH-CQSZACIVSA-N 1 1 377.941 4.162 20 0 GIADMO COc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1F ZINC000054718044 822907360 /nfs/dbraw/zinc/90/73/60/822907360.db2.gz YLSLRXITLDOBIB-BXWFABGCSA-N 1 1 385.483 4.030 20 0 GIADMO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000569364220 822911662 /nfs/dbraw/zinc/91/16/62/822911662.db2.gz GOBHTIYDDUGVLR-BZRIBIQUSA-N 1 1 386.580 4.040 20 0 GIADMO Fc1cc(Br)cc(F)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000186550887 822911807 /nfs/dbraw/zinc/91/18/07/822911807.db2.gz GCUWOPIFHLZDJC-UHFFFAOYSA-N 1 1 382.252 4.012 20 0 GIADMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000457740805 822913289 /nfs/dbraw/zinc/91/32/89/822913289.db2.gz OVMMBXAQOALWCS-YYIAUSFCSA-N 1 1 377.495 4.259 20 0 GIADMO Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000186566184 822914409 /nfs/dbraw/zinc/91/44/09/822914409.db2.gz YNHIMQXDHFARSQ-VXKWHMMOSA-N 1 1 395.591 4.251 20 0 GIADMO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000175252164 822914785 /nfs/dbraw/zinc/91/47/85/822914785.db2.gz UKAOHYMSEFUATF-SJORKVTESA-N 1 1 379.529 4.396 20 0 GIADMO Cc1cc(C(C)(C)[NH2+]Cc2nnc(C3CCC3)n2C)ccc1Br ZINC000569395790 822916269 /nfs/dbraw/zinc/91/62/69/822916269.db2.gz KBSGTYIYQJDCLU-UHFFFAOYSA-N 1 1 377.330 4.178 20 0 GIADMO COc1ccccc1-c1nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c(=S)n1C ZINC000175261645 822918256 /nfs/dbraw/zinc/91/82/56/822918256.db2.gz DRXZGEJDTQORNB-AEFFLSMTSA-N 1 1 394.544 4.462 20 0 GIADMO COc1ccccc1-c1nn(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c(=S)n1C ZINC000175261645 822918260 /nfs/dbraw/zinc/91/82/60/822918260.db2.gz DRXZGEJDTQORNB-AEFFLSMTSA-N 1 1 394.544 4.462 20 0 GIADMO COc1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc(Cl)c1OC ZINC000186590968 822919277 /nfs/dbraw/zinc/91/92/77/822919277.db2.gz KVGQFVOMHWACOE-UHFFFAOYSA-N 1 1 393.886 4.066 20 0 GIADMO Cc1cc(CNC(=O)N[C@H](c2ccccc2C)C(C)C)cc(N2CCCC2)[nH+]1 ZINC000569417553 822920118 /nfs/dbraw/zinc/92/01/18/822920118.db2.gz SAKPKVMVLUKYRZ-QFIPXVFZSA-N 1 1 380.536 4.495 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)NC(C)(C)c3cccc(Cl)c3)CC2)[nH+]c1 ZINC000175277915 822922513 /nfs/dbraw/zinc/92/25/13/822922513.db2.gz LRBSRABHEQEZMP-UHFFFAOYSA-N 1 1 386.927 4.247 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000175277713 822922572 /nfs/dbraw/zinc/92/25/72/822922572.db2.gz YHSYEHVNWJVAMN-MRXNPFEDSA-N 1 1 392.330 4.373 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000457837054 822924329 /nfs/dbraw/zinc/92/43/29/822924329.db2.gz YOIRCODHVKYDIG-HXUWFJFHSA-N 1 1 386.923 4.114 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@H+]3C[C@H](c4cnn(C)c4)C(C)(C)C3)n2)ccc1F ZINC000569469381 822926717 /nfs/dbraw/zinc/92/67/17/822926717.db2.gz WNVMNPSBOBRDBF-RHSMWYFYSA-N 1 1 383.471 4.104 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000054973407 822926853 /nfs/dbraw/zinc/92/68/53/822926853.db2.gz QDZQSFCGWVTMJC-IBGZPJMESA-N 1 1 388.968 4.100 20 0 GIADMO Clc1ccc(-c2noc(CC[N@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)cc1 ZINC000186635156 822927259 /nfs/dbraw/zinc/92/72/59/822927259.db2.gz QIOWQCNEVLNAMR-NRFANRHFSA-N 1 1 381.863 4.064 20 0 GIADMO CC[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000186637474 822927558 /nfs/dbraw/zinc/92/75/58/822927558.db2.gz WRNCLVLGLWVGOE-SIKLNZKXSA-N 1 1 381.451 4.161 20 0 GIADMO CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000569476787 822927722 /nfs/dbraw/zinc/92/77/22/822927722.db2.gz RHNGDUFDAPTTTF-PKOBYXMFSA-N 1 1 387.597 4.041 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(Cl)cc2Cl)cn1 ZINC000054984874 822928818 /nfs/dbraw/zinc/92/88/18/822928818.db2.gz KXHXWQHGPWEBJI-UHFFFAOYSA-N 1 1 392.315 4.369 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc(OC)c1OC ZINC000186653189 822929867 /nfs/dbraw/zinc/92/98/67/822929867.db2.gz CFIZYCPBUFIVOE-SZNDQCEHSA-N 1 1 399.466 4.025 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[N@@H+](C)CCc3ccc(F)cc3)cc(=O)oc2c1 ZINC000055022925 822931950 /nfs/dbraw/zinc/93/19/50/822931950.db2.gz GLTAEHKYUKXKSS-UHFFFAOYSA-N 1 1 398.434 4.175 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000569517736 822933378 /nfs/dbraw/zinc/93/33/78/822933378.db2.gz GLSWQNQBDCIUBO-MSOLQXFVSA-N 1 1 384.524 4.355 20 0 GIADMO Brc1cccc(C2([NH2+]Cc3nc4ccccc4o3)CCOCC2)c1 ZINC000055055625 822935675 /nfs/dbraw/zinc/93/56/75/822935675.db2.gz AFHZDMGMRZVPPX-UHFFFAOYSA-N 1 1 387.277 4.386 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000457921283 822936272 /nfs/dbraw/zinc/93/62/72/822936272.db2.gz BXGUNVXFOZJGTJ-RDJZCZTQSA-N 1 1 398.576 4.305 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000569560696 822939915 /nfs/dbraw/zinc/93/99/15/822939915.db2.gz IIWXVPBXELHIKF-UNMCSNQZSA-N 1 1 380.488 4.369 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000569560696 822939917 /nfs/dbraw/zinc/93/99/17/822939917.db2.gz IIWXVPBXELHIKF-UNMCSNQZSA-N 1 1 380.488 4.369 20 0 GIADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2C1 ZINC000569570081 822941345 /nfs/dbraw/zinc/94/13/45/822941345.db2.gz LDTTUYRPMRYASU-UHFFFAOYSA-N 1 1 388.518 4.269 20 0 GIADMO C[C@@H]1C[N@H+](C2CCN(Cc3nc(-c4ccccc4Cl)cs3)CC2)CCO1 ZINC000186727465 822945667 /nfs/dbraw/zinc/94/56/67/822945667.db2.gz PDJBJZDMNLSFFF-OAHLLOKOSA-N 1 1 391.968 4.149 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000569626426 822946664 /nfs/dbraw/zinc/94/66/64/822946664.db2.gz JLCCKSZUXZMSRM-SCLBCKFNSA-N 1 1 384.351 4.474 20 0 GIADMO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)[C@@H]1[C@H]1CCCO1 ZINC000569633895 822947801 /nfs/dbraw/zinc/94/78/01/822947801.db2.gz INDSVCVYPLSRLL-FYYLOGMGSA-N 1 1 388.515 4.324 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000569641976 822949056 /nfs/dbraw/zinc/94/90/56/822949056.db2.gz PUDSFUBRXRDVGK-IBGZPJMESA-N 1 1 376.460 4.171 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000569641976 822949059 /nfs/dbraw/zinc/94/90/59/822949059.db2.gz PUDSFUBRXRDVGK-IBGZPJMESA-N 1 1 376.460 4.171 20 0 GIADMO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175373982 822950588 /nfs/dbraw/zinc/95/05/88/822950588.db2.gz BLHDJLPNTYEKKT-ZLOXQWCVSA-N 1 1 396.350 4.388 20 0 GIADMO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175373982 822950589 /nfs/dbraw/zinc/95/05/89/822950589.db2.gz BLHDJLPNTYEKKT-ZLOXQWCVSA-N 1 1 396.350 4.388 20 0 GIADMO CCc1c(NC(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)cnn1-c1ccccc1 ZINC000569654566 822950682 /nfs/dbraw/zinc/95/06/82/822950682.db2.gz HFMUOBSWOMXTAQ-QFIPXVFZSA-N 1 1 376.504 4.284 20 0 GIADMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000569672225 822953321 /nfs/dbraw/zinc/95/33/21/822953321.db2.gz AIWLSMDIWIJTSD-SMDDNHRTSA-N 1 1 382.348 4.252 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000175390274 822956432 /nfs/dbraw/zinc/95/64/32/822956432.db2.gz AMSAVMJCJXGMAZ-HWRSSNJWSA-N 1 1 378.925 4.099 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000175392335 822956858 /nfs/dbraw/zinc/95/68/58/822956858.db2.gz MYCGRRJFXGXWBU-RKOGDMNLSA-N 1 1 394.581 4.064 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1SCc1cscn1 ZINC000055405013 822958023 /nfs/dbraw/zinc/95/80/23/822958023.db2.gz JINFCOBOFFYPHY-JKSUJKDBSA-N 1 1 389.590 4.286 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNCc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000569723233 822959346 /nfs/dbraw/zinc/95/93/46/822959346.db2.gz YPPYYPJLARDFKJ-OAHLLOKOSA-N 1 1 379.957 4.195 20 0 GIADMO CCOC(=O)c1csc(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000569724043 822959450 /nfs/dbraw/zinc/95/94/50/822959450.db2.gz SXWSFPQULQPXAG-MRXNPFEDSA-N 1 1 376.547 4.218 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CCSC4(CCOCC4)C3)cs2)cc1 ZINC000186813641 822959627 /nfs/dbraw/zinc/95/96/27/822959627.db2.gz IQKPJNGKJFORKC-UHFFFAOYSA-N 1 1 390.574 4.307 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCSC4(CCOCC4)C3)cs2)cc1 ZINC000186813641 822959629 /nfs/dbraw/zinc/95/96/29/822959629.db2.gz IQKPJNGKJFORKC-UHFFFAOYSA-N 1 1 390.574 4.307 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c[nH]nc1-c1ccsc1 ZINC000186818109 822960526 /nfs/dbraw/zinc/96/05/26/822960526.db2.gz SVERWXHEXUYXNU-YQQQUEKLSA-N 1 1 392.528 4.064 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000458126203 822960641 /nfs/dbraw/zinc/96/06/41/822960641.db2.gz BUOFMNBUKMZWNM-XIKOKIGWSA-N 1 1 378.879 4.071 20 0 GIADMO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1Cl ZINC000186828124 822962817 /nfs/dbraw/zinc/96/28/17/822962817.db2.gz REYAWPGAFGNDOX-AWEZNQCLSA-N 1 1 393.915 4.458 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2C[C@H](c3cccc(OC)c3)C2)c1 ZINC000458157442 822963378 /nfs/dbraw/zinc/96/33/78/822963378.db2.gz VADZDZCCJVDSQY-HZCBDIJESA-N 1 1 395.547 4.235 20 0 GIADMO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458173803 822965372 /nfs/dbraw/zinc/96/53/72/822965372.db2.gz BUJCPUGCBIDSLP-LSDHHAIUSA-N 1 1 391.968 4.217 20 0 GIADMO CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000055460189 822966121 /nfs/dbraw/zinc/96/61/21/822966121.db2.gz WBRRUAQLXMRABH-RXVVDRJESA-N 1 1 385.552 4.037 20 0 GIADMO CC(=O)c1ccc(Oc2ccc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2)cc1 ZINC000458210984 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ZINC000461028830 823562000 /nfs/dbraw/zinc/56/20/00/823562000.db2.gz MGZLTCOUCCDTHY-MRXNPFEDSA-N 1 1 382.533 4.059 20 0 GIADMO CC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccc2c(c1)OCCO2 ZINC000190322239 823562605 /nfs/dbraw/zinc/56/26/05/823562605.db2.gz MEFPLHDFVCNZMQ-SFHVURJKSA-N 1 1 385.414 4.163 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000461033041 823562716 /nfs/dbraw/zinc/56/27/16/823562716.db2.gz IIEDLOYYMRKUEW-OAHLLOKOSA-N 1 1 390.959 4.417 20 0 GIADMO FC(F)(F)c1ccccc1[C@@H]1C[N@H+](CC2CCC3(CC2)OCCO3)CCO1 ZINC000190330654 823563701 /nfs/dbraw/zinc/56/37/01/823563701.db2.gz NPUQZCIQALKJSO-SFHVURJKSA-N 1 1 385.426 4.012 20 0 GIADMO FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](CC2CCC3(CC2)OCCO3)CCO1 ZINC000190330654 823563705 /nfs/dbraw/zinc/56/37/05/823563705.db2.gz NPUQZCIQALKJSO-SFHVURJKSA-N 1 1 385.426 4.012 20 0 GIADMO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000124057557 823563895 /nfs/dbraw/zinc/56/38/95/823563895.db2.gz UAUPFAOYDHGZNX-SJCJKPOMSA-N 1 1 395.471 4.321 20 0 GIADMO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(C)noc1C ZINC000124058212 823564078 /nfs/dbraw/zinc/56/40/78/823564078.db2.gz YDIFJUHRLLIULJ-OTYNDTSQSA-N 1 1 396.535 4.237 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-c4ncco4)cc3F)C2)n1 ZINC000411335920 823564992 /nfs/dbraw/zinc/56/49/92/823564992.db2.gz FJLWJPUMIBQAJC-GOSISDBHSA-N 1 1 394.450 4.035 20 0 GIADMO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1nc(-c2ccncc2)cs1 ZINC000124080749 823565815 /nfs/dbraw/zinc/56/58/15/823565815.db2.gz IHHWVZYAGCNXCE-MRXNPFEDSA-N 1 1 375.501 4.301 20 0 GIADMO CCOc1ccc(NC(=O)CCn2cc[nH+]c2C(C)C)cc1Br ZINC000190364974 823566619 /nfs/dbraw/zinc/56/66/19/823566619.db2.gz XOAGCCQTGUQMTJ-UHFFFAOYSA-N 1 1 380.286 4.197 20 0 GIADMO Cc1csc(C(C)(C)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)n1 ZINC000411375064 823567285 /nfs/dbraw/zinc/56/72/85/823567285.db2.gz OJWHEOLQRZAIAW-UHFFFAOYSA-N 1 1 383.517 4.098 20 0 GIADMO CC[C@H](C[N@H+](C)CC(=O)Nc1c(C)n[nH]c1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190380205 823567919 /nfs/dbraw/zinc/56/79/19/823567919.db2.gz WAOSGKODJXVIJQ-CYBMUJFWSA-N 1 1 399.322 4.061 20 0 GIADMO CC[C@H](C[N@@H+](C)CC(=O)Nc1c(C)n[nH]c1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190380205 823567921 /nfs/dbraw/zinc/56/79/21/823567921.db2.gz WAOSGKODJXVIJQ-CYBMUJFWSA-N 1 1 399.322 4.061 20 0 GIADMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124108815 823568193 /nfs/dbraw/zinc/56/81/93/823568193.db2.gz MJZYEUFCSDASHU-IBGZPJMESA-N 1 1 390.535 4.083 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000124136625 823570942 /nfs/dbraw/zinc/57/09/42/823570942.db2.gz XTFNYTKTVPKTPE-CYBMUJFWSA-N 1 1 396.304 4.046 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)C1 ZINC000124153933 823572548 /nfs/dbraw/zinc/57/25/48/823572548.db2.gz GHBUTQFLEZWAJS-MRXNPFEDSA-N 1 1 395.478 4.438 20 0 GIADMO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc(Cl)c1F ZINC000461083003 823572933 /nfs/dbraw/zinc/57/29/33/823572933.db2.gz PARURXCCASQHDN-SFHVURJKSA-N 1 1 398.931 4.407 20 0 GIADMO C[C@@H](c1cccnc1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411431062 823573418 /nfs/dbraw/zinc/57/34/18/823573418.db2.gz ZEJCZOZRKUDGGW-KBPBESRZSA-N 1 1 381.549 4.029 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CCc4c3cccc4Br)c2)C1 ZINC000461085522 823573443 /nfs/dbraw/zinc/57/34/43/823573443.db2.gz KCDMKMRFJZNGLQ-OXQOHEQNSA-N 1 1 387.321 4.115 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1)Nc1ccccc1Oc1ccccc1 ZINC000411434143 823573787 /nfs/dbraw/zinc/57/37/87/823573787.db2.gz VPXLKOKYVBYVGG-LJQANCHMSA-N 1 1 376.460 4.368 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1ncc[nH]1)Nc1ccccc1Oc1ccccc1 ZINC000411434143 823573788 /nfs/dbraw/zinc/57/37/88/823573788.db2.gz VPXLKOKYVBYVGG-LJQANCHMSA-N 1 1 376.460 4.368 20 0 GIADMO COc1ccc(-c2nc(C[NH+]3CCC(CC(=O)N4CCCC4)CC3)cs2)cc1 ZINC000061049974 823575579 /nfs/dbraw/zinc/57/55/79/823575579.db2.gz QVMYOTQUFCWOJT-UHFFFAOYSA-N 1 1 399.560 4.043 20 0 GIADMO FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124187522 823575767 /nfs/dbraw/zinc/57/57/67/823575767.db2.gz BHTOIHGJPDKLEZ-INIZCTEOSA-N 1 1 394.441 4.283 20 0 GIADMO COc1cc(CNC[C@H](C2CCCCC2)[NH+](C)C)ccc1OCc1ccncc1 ZINC000061070485 823576730 /nfs/dbraw/zinc/57/67/30/823576730.db2.gz ULBHEPFHGSPWAK-JOCHJYFZSA-N 1 1 397.563 4.269 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccco1 ZINC000061072107 823576889 /nfs/dbraw/zinc/57/68/89/823576889.db2.gz AILCTXJMVXUOQF-HXUWFJFHSA-N 1 1 397.450 4.313 20 0 GIADMO COc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OCc2ccccc2)c1 ZINC000190454444 823576910 /nfs/dbraw/zinc/57/69/10/823576910.db2.gz AXCOQFNXLSTSJL-MJGOQNOKSA-N 1 1 397.519 4.221 20 0 GIADMO COc1cc(CNCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1 ZINC000061070904 823576987 /nfs/dbraw/zinc/57/69/87/823576987.db2.gz XZNPTUHJNUWREF-OALUTQOASA-N 1 1 382.548 4.472 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccnn2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000190459143 823577400 /nfs/dbraw/zinc/57/74/00/823577400.db2.gz ZEKLIXDJHNEHBA-PKOBYXMFSA-N 1 1 383.540 4.155 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)N[C@@H](C)c1cccs1 ZINC000190461235 823577782 /nfs/dbraw/zinc/57/77/82/823577782.db2.gz JEIDRHQLYWLLOR-NEPJUHHUSA-N 1 1 397.338 4.047 20 0 GIADMO C[S@@](=O)C[C@H]([NH2+]Cc1cccc(Br)c1Cl)c1ccccc1 ZINC000411469798 823578441 /nfs/dbraw/zinc/57/84/41/823578441.db2.gz HKKIPUMFIANEBV-YCRPNKLZSA-N 1 1 386.742 4.312 20 0 GIADMO CCCCCCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000124219241 823578544 /nfs/dbraw/zinc/57/85/44/823578544.db2.gz ZBECVCFYPLUVIT-MJGOQNOKSA-N 1 1 376.541 4.209 20 0 GIADMO C[S@](=O)C[C@@H]([NH2+]Cc1cccc(Br)c1Cl)c1ccccc1 ZINC000411469797 823578590 /nfs/dbraw/zinc/57/85/90/823578590.db2.gz HKKIPUMFIANEBV-VFNWGFHPSA-N 1 1 386.742 4.312 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3csc(-c4ccccc4F)n3)sc2C1 ZINC000124227537 823579030 /nfs/dbraw/zinc/57/90/30/823579030.db2.gz GUBBPRCNRXSALR-UHFFFAOYSA-N 1 1 388.493 4.036 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3csc(-c4ccccc4F)n3)sc2C1 ZINC000124227537 823579035 /nfs/dbraw/zinc/57/90/35/823579035.db2.gz GUBBPRCNRXSALR-UHFFFAOYSA-N 1 1 388.493 4.036 20 0 GIADMO CC(C)(C)OC1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000124257737 823581622 /nfs/dbraw/zinc/58/16/22/823581622.db2.gz KYFQYPVSEXPZRI-UHFFFAOYSA-N 1 1 384.520 4.088 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccccc2N2CCOCC2)cc1 ZINC000061165265 823581775 /nfs/dbraw/zinc/58/17/75/823581775.db2.gz PETIOMGZODWMPL-LJQANCHMSA-N 1 1 393.531 4.150 20 0 GIADMO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000124261409 823581853 /nfs/dbraw/zinc/58/18/53/823581853.db2.gz AEMPDWOIOQORNM-UHFFFAOYSA-N 1 1 384.442 4.246 20 0 GIADMO C[C@H]1COc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411506834 823582201 /nfs/dbraw/zinc/58/22/01/823582201.db2.gz QRNSFUCIHZJWMR-AWEZNQCLSA-N 1 1 389.293 4.061 20 0 GIADMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000124270340 823582718 /nfs/dbraw/zinc/58/27/18/823582718.db2.gz VYXWFDXBPPMIPO-LJQANCHMSA-N 1 1 375.488 4.157 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000411513142 823583073 /nfs/dbraw/zinc/58/30/73/823583073.db2.gz OEOYLBSNWDLVRF-JPQMIFPKSA-N 1 1 390.496 4.336 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1c(C)noc1C ZINC000411522119 823584286 /nfs/dbraw/zinc/58/42/86/823584286.db2.gz ZYXWNCDIYAJJRW-FQEVSTJZSA-N 1 1 381.476 4.154 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000411526427 823584854 /nfs/dbraw/zinc/58/48/54/823584854.db2.gz NYSHXKYIABHJGK-AUSIDOKSSA-N 1 1 389.499 4.287 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000411526427 823584856 /nfs/dbraw/zinc/58/48/56/823584856.db2.gz NYSHXKYIABHJGK-AUSIDOKSSA-N 1 1 389.499 4.287 20 0 GIADMO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000190555403 823586036 /nfs/dbraw/zinc/58/60/36/823586036.db2.gz DGNYUPBHZMXUGM-QGZVFWFLSA-N 1 1 393.531 4.115 20 0 GIADMO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(Oc3ccc(F)nc3)CC2)n1 ZINC000190572431 823587246 /nfs/dbraw/zinc/58/72/46/823587246.db2.gz COYHSKBDOUQYEC-HNNXBMFYSA-N 1 1 382.439 4.184 20 0 GIADMO COCCC[NH+]1CCC(N[C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190597787 823589847 /nfs/dbraw/zinc/58/98/47/823589847.db2.gz HXFDVKIOWVISMT-KRWDZBQOSA-N 1 1 387.387 4.052 20 0 GIADMO C[C@H](CC(F)F)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411617171 823590993 /nfs/dbraw/zinc/59/09/93/823590993.db2.gz KRKUGVACOGQCLU-CYBMUJFWSA-N 1 1 392.412 4.420 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000411631309 823592592 /nfs/dbraw/zinc/59/25/92/823592592.db2.gz MFMUZUGLMMNLRZ-UHFFFAOYSA-N 1 1 378.520 4.340 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H]2C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000124396778 823593216 /nfs/dbraw/zinc/59/32/16/823593216.db2.gz UKRWPHOWYIEUJD-HNNXBMFYSA-N 1 1 388.895 4.350 20 0 GIADMO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)cc1 ZINC000411658276 823595253 /nfs/dbraw/zinc/59/52/53/823595253.db2.gz KZTUJQAYDLZADM-CVDCTZTESA-N 1 1 394.540 4.231 20 0 GIADMO CSc1ccccc1NC(=O)CC[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000411665292 823595774 /nfs/dbraw/zinc/59/57/74/823595774.db2.gz SLIWZYPMKXSBGM-HNNXBMFYSA-N 1 1 399.343 4.367 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2cnc3ccc(C)cc3c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000411680084 823596601 /nfs/dbraw/zinc/59/66/01/823596601.db2.gz WZIAFOSUXOPEBY-VGSWGCGISA-N 1 1 382.529 4.116 20 0 GIADMO Fc1cc(-c2ncco2)ccc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000411687146 823597032 /nfs/dbraw/zinc/59/70/32/823597032.db2.gz FKFHIUDCFROEEP-SFHVURJKSA-N 1 1 380.467 4.393 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H](c2ccncc2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000411732768 823600759 /nfs/dbraw/zinc/60/07/59/823600759.db2.gz UMFPIFDGKORNKS-JOCHJYFZSA-N 1 1 389.499 4.083 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H](c2ccncc2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000411732768 823600760 /nfs/dbraw/zinc/60/07/60/823600760.db2.gz UMFPIFDGKORNKS-JOCHJYFZSA-N 1 1 389.499 4.083 20 0 GIADMO c1ccc(C[N@@H+]2CCC[C@@H](N(CCc3ccccn3)Cc3ccncc3)C2)cc1 ZINC000411751397 823602433 /nfs/dbraw/zinc/60/24/33/823602433.db2.gz BQPUCWICNPLJRZ-RUZDIDTESA-N 1 1 386.543 4.186 20 0 GIADMO c1ccc(CN2CCC[C@@H]([N@H+](CCc3ccccn3)Cc3ccncc3)C2)cc1 ZINC000411751397 823602437 /nfs/dbraw/zinc/60/24/37/823602437.db2.gz BQPUCWICNPLJRZ-RUZDIDTESA-N 1 1 386.543 4.186 20 0 GIADMO c1ccc(CN2CCC[C@@H]([N@@H+](CCc3ccccn3)Cc3ccncc3)C2)cc1 ZINC000411751397 823602438 /nfs/dbraw/zinc/60/24/38/823602438.db2.gz BQPUCWICNPLJRZ-RUZDIDTESA-N 1 1 386.543 4.186 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)o2)c(C)c1 ZINC000461255113 823605668 /nfs/dbraw/zinc/60/56/68/823605668.db2.gz BOGPMCRJMWRJHJ-IBGZPJMESA-N 1 1 384.520 4.422 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)sc2C1 ZINC000124564877 823606703 /nfs/dbraw/zinc/60/67/03/823606703.db2.gz KJHRHMYHMBGIJB-OLZOCXBDSA-N 1 1 395.450 4.282 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)sc2C1 ZINC000124564877 823606705 /nfs/dbraw/zinc/60/67/05/823606705.db2.gz KJHRHMYHMBGIJB-OLZOCXBDSA-N 1 1 395.450 4.282 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1csc(-c2ccccc2F)n1 ZINC000061623930 823606771 /nfs/dbraw/zinc/60/67/71/823606771.db2.gz JAZIJSSCIITEHC-UHFFFAOYSA-N 1 1 392.459 4.373 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000461260295 823607065 /nfs/dbraw/zinc/60/70/65/823607065.db2.gz DDVWALKEVZEWFP-OAHLLOKOSA-N 1 1 379.298 4.142 20 0 GIADMO CCc1sc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1C ZINC000124569365 823607275 /nfs/dbraw/zinc/60/72/75/823607275.db2.gz UHWANMZNXIIOQO-RBUKOAKNSA-N 1 1 391.625 4.028 20 0 GIADMO COc1cc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc(Cl)c1OC ZINC000124584822 823608512 /nfs/dbraw/zinc/60/85/12/823608512.db2.gz QNLZUZIJVVDCST-HXUWFJFHSA-N 1 1 375.896 4.303 20 0 GIADMO COCCCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190796249 823609986 /nfs/dbraw/zinc/60/99/86/823609986.db2.gz WOOZTWLSJXETDU-HNNXBMFYSA-N 1 1 380.286 4.063 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCOc1ccccc1-c1ccccc1 ZINC000461273577 823610435 /nfs/dbraw/zinc/61/04/35/823610435.db2.gz TYGOXSGMTGLXQU-NRFANRHFSA-N 1 1 380.532 4.455 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411867545 823611455 /nfs/dbraw/zinc/61/14/55/823611455.db2.gz JEVOVDPIHRAQJV-HXUWFJFHSA-N 1 1 388.577 4.110 20 0 GIADMO Cc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1Cc1cccs1 ZINC000461286203 823611960 /nfs/dbraw/zinc/61/19/60/823611960.db2.gz CTUHLWRUQFJWSG-FXAWDEMLSA-N 1 1 395.576 4.186 20 0 GIADMO c1csc(Cn2c(C3CC3)nnc2N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000461302938 823614040 /nfs/dbraw/zinc/61/40/40/823614040.db2.gz AGIUWMOQNJIDFN-UHFFFAOYSA-N 1 1 399.608 4.358 20 0 GIADMO COc1ccc2c(c1NC(=O)c1ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc1)CCC2 ZINC000190830265 823614082 /nfs/dbraw/zinc/61/40/82/823614082.db2.gz HFOJQDAVLDTCNH-IAGOWNOFSA-N 1 1 394.515 4.045 20 0 GIADMO O=C(NCC1(c2ccccc2)CCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789688 823614482 /nfs/dbraw/zinc/61/44/82/823614482.db2.gz XMWSTIZTNYJRRG-UHFFFAOYSA-N 1 1 395.572 4.479 20 0 GIADMO CN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CCc2ccccc21 ZINC000061789500 823614530 /nfs/dbraw/zinc/61/45/30/823614530.db2.gz UWBFDHAYKUTKCO-OAQYLSRUSA-N 1 1 381.545 4.387 20 0 GIADMO O=C(NCCc1cccc(Cl)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790247 823614650 /nfs/dbraw/zinc/61/46/50/823614650.db2.gz IPCMKIIZODSDJW-UHFFFAOYSA-N 1 1 389.952 4.253 20 0 GIADMO CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790443 823614721 /nfs/dbraw/zinc/61/47/21/823614721.db2.gz JCXRCSHQOFQLTJ-UHFFFAOYSA-N 1 1 391.487 4.178 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000411930721 823614767 /nfs/dbraw/zinc/61/47/67/823614767.db2.gz ZNOSGLPFELCLTG-RBBKRZOGSA-N 1 1 378.447 4.108 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000411930716 823614794 /nfs/dbraw/zinc/61/47/94/823614794.db2.gz ZNOSGLPFELCLTG-IFMALSPDSA-N 1 1 378.447 4.108 20 0 GIADMO C[C@H]1CSCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000190841872 823615266 /nfs/dbraw/zinc/61/52/66/823615266.db2.gz FCHCTYQLWKLVRG-GOSISDBHSA-N 1 1 378.545 4.178 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000411944945 823615645 /nfs/dbraw/zinc/61/56/45/823615645.db2.gz NOQFSRYCXNAKLG-DLBZAZTESA-N 1 1 389.377 4.063 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000411944945 823615646 /nfs/dbraw/zinc/61/56/46/823615646.db2.gz NOQFSRYCXNAKLG-DLBZAZTESA-N 1 1 389.377 4.063 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000411956113 823616559 /nfs/dbraw/zinc/61/65/59/823616559.db2.gz VZSRKBYIZWDXEI-CRAIPNDOSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000411956113 823616561 /nfs/dbraw/zinc/61/65/61/823616561.db2.gz VZSRKBYIZWDXEI-CRAIPNDOSA-N 1 1 399.288 4.412 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1oc(C(C)C)nc1C)C(C)C ZINC000411985329 823618169 /nfs/dbraw/zinc/61/81/69/823618169.db2.gz NXJODJSPOPQHPO-QGZVFWFLSA-N 1 1 392.565 4.479 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411988141 823618509 /nfs/dbraw/zinc/61/85/09/823618509.db2.gz NRYVJFBHXQSWOX-XMSQKQJNSA-N 1 1 378.516 4.430 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411988141 823618512 /nfs/dbraw/zinc/61/85/12/823618512.db2.gz NRYVJFBHXQSWOX-XMSQKQJNSA-N 1 1 378.516 4.430 20 0 GIADMO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411992972 823618961 /nfs/dbraw/zinc/61/89/61/823618961.db2.gz XXWHFFQQMFRWEK-REWPJTCUSA-N 1 1 392.543 4.277 20 0 GIADMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000124701374 823618982 /nfs/dbraw/zinc/61/89/82/823618982.db2.gz FYJZDYRCANSHIB-ZSZQSSIHSA-N 1 1 395.469 4.425 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000411998355 823619875 /nfs/dbraw/zinc/61/98/75/823619875.db2.gz KQRJWJHAJVRIOV-SPEDKVCISA-N 1 1 396.506 4.245 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000411998355 823619877 /nfs/dbraw/zinc/61/98/77/823619877.db2.gz KQRJWJHAJVRIOV-SPEDKVCISA-N 1 1 396.506 4.245 20 0 GIADMO O=C1[C@@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1cccc(Cl)c1 ZINC000411999106 823619974 /nfs/dbraw/zinc/61/99/74/823619974.db2.gz MFLUXEKPKNEWRM-SFTDATJTSA-N 1 1 396.918 4.299 20 0 GIADMO O=C1[C@@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCN1c1cccc(Cl)c1 ZINC000411999106 823619977 /nfs/dbraw/zinc/61/99/77/823619977.db2.gz MFLUXEKPKNEWRM-SFTDATJTSA-N 1 1 396.918 4.299 20 0 GIADMO CCC[C@@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000412003512 823621135 /nfs/dbraw/zinc/62/11/35/823621135.db2.gz XGALPQXLXHBDAJ-VWNXMTODSA-N 1 1 392.543 4.498 20 0 GIADMO CCC[C@@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000412003512 823621137 /nfs/dbraw/zinc/62/11/37/823621137.db2.gz XGALPQXLXHBDAJ-VWNXMTODSA-N 1 1 392.543 4.498 20 0 GIADMO Cc1nc2sccn2c(=O)c1CC[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412007991 823622079 /nfs/dbraw/zinc/62/20/79/823622079.db2.gz JYJJJOFNFIPGMT-PMACEKPBSA-N 1 1 381.545 4.265 20 0 GIADMO OCC1([C@H]([NH2+]Cc2ncnn2-c2ccccc2)c2ccccc2)CCCCC1 ZINC000412010870 823622469 /nfs/dbraw/zinc/62/24/69/823622469.db2.gz SFZOAEOYTFLRBB-JOCHJYFZSA-N 1 1 376.504 4.041 20 0 GIADMO FC(F)(F)C(F)(F)COCC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412016342 823622824 /nfs/dbraw/zinc/62/28/24/823622824.db2.gz VHLLHRVCIIGLBT-HNNXBMFYSA-N 1 1 379.369 4.054 20 0 GIADMO COC1([C@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)CCC1 ZINC000412020793 823623275 /nfs/dbraw/zinc/62/32/75/823623275.db2.gz JZJMFJKCYMKSTE-INIZCTEOSA-N 1 1 387.549 4.492 20 0 GIADMO COC1([C@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CCC1 ZINC000412020618 823623302 /nfs/dbraw/zinc/62/33/02/823623302.db2.gz JLKSLWMNTVDUDQ-ZDUSSCGKSA-N 1 1 377.485 4.014 20 0 GIADMO COc1cc(Cl)c(F)c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000412040898 823623903 /nfs/dbraw/zinc/62/39/03/823623903.db2.gz ZZVPUJREKKYEQL-CYBMUJFWSA-N 1 1 392.858 4.133 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000412051449 823624248 /nfs/dbraw/zinc/62/42/48/823624248.db2.gz AKTCHKVEYXSZSR-QGZVFWFLSA-N 1 1 398.469 4.341 20 0 GIADMO Cc1c(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cnn1-c1cc[nH+]cc1 ZINC000124765485 823624439 /nfs/dbraw/zinc/62/44/39/823624439.db2.gz BAMPJKDAKPLTJR-UHFFFAOYSA-N 1 1 395.894 4.472 20 0 GIADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000412061486 823625138 /nfs/dbraw/zinc/62/51/38/823625138.db2.gz HRYWEXWDGMLPBY-OAHLLOKOSA-N 1 1 379.472 4.026 20 0 GIADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000412082849 823626222 /nfs/dbraw/zinc/62/62/22/823626222.db2.gz XXOMARQPCIRXSG-QGZVFWFLSA-N 1 1 385.508 4.113 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412101123 823626604 /nfs/dbraw/zinc/62/66/04/823626604.db2.gz YGSLULOOXBEGHQ-DOTOQJQBSA-N 1 1 380.960 4.276 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000412100192 823626614 /nfs/dbraw/zinc/62/66/14/823626614.db2.gz RSXCXKXDOPNMBU-GTKJQCQASA-N 1 1 378.491 4.183 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000412118552 823627665 /nfs/dbraw/zinc/62/76/65/823627665.db2.gz DSJNRCHTXZPKPM-HQAQVQPGSA-N 1 1 378.516 4.007 20 0 GIADMO CCCCOC1CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000461401650 823629772 /nfs/dbraw/zinc/62/97/72/823629772.db2.gz MLZSYNAFIODQFM-UHFFFAOYSA-N 1 1 375.538 4.458 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000412154946 823631093 /nfs/dbraw/zinc/63/10/93/823631093.db2.gz CVMQRNKUHAXUFI-BVYCBKJFSA-N 1 1 392.543 4.358 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000412169635 823632438 /nfs/dbraw/zinc/63/24/38/823632438.db2.gz CCZJMYXGWRQDPO-XANCMCCPSA-N 1 1 392.543 4.445 20 0 GIADMO O=C([C@@H]1CCCc2sccc21)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461419862 823632511 /nfs/dbraw/zinc/63/25/11/823632511.db2.gz AHWAFJBUCHZBFX-SFHLNBCPSA-N 1 1 380.557 4.149 20 0 GIADMO O=C(CCCc1ccc(F)c(F)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461419891 823632684 /nfs/dbraw/zinc/63/26/84/823632684.db2.gz ARFJNXUBRFAHRX-LEWJYISDSA-N 1 1 398.497 4.268 20 0 GIADMO O=C(c1ccc(-c2ccccc2)[nH]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461421479 823633061 /nfs/dbraw/zinc/63/30/61/823633061.db2.gz CPGMQTSPJOQNBN-VXKWHMMOSA-N 1 1 385.511 4.276 20 0 GIADMO Cc1ccc(CCCC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000461421467 823633068 /nfs/dbraw/zinc/63/30/68/823633068.db2.gz COWHWOYTQAJGML-RTWAWAEBSA-N 1 1 382.573 4.360 20 0 GIADMO O=C(c1cncc(-c2ccccc2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461424657 823633829 /nfs/dbraw/zinc/63/38/29/823633829.db2.gz HXFBKDSEHOJPJG-DHLKQENFSA-N 1 1 397.522 4.343 20 0 GIADMO COCCN(C)c1ccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)cn1 ZINC000190983462 823634225 /nfs/dbraw/zinc/63/42/25/823634225.db2.gz JKINOUNWAADSJI-INIZCTEOSA-N 1 1 382.533 4.139 20 0 GIADMO CCC(CC)([NH2+]Cc1nnnn1CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000190985361 823634636 /nfs/dbraw/zinc/63/46/36/823634636.db2.gz NPELQMBTNSZCDK-UHFFFAOYSA-N 1 1 396.244 4.347 20 0 GIADMO CCOc1c(Br)cc(CNC[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000062423474 823634877 /nfs/dbraw/zinc/63/48/77/823634877.db2.gz SLLAOUZWZNFLDK-HNNXBMFYSA-N 1 1 399.373 4.066 20 0 GIADMO CS[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461433109 823636081 /nfs/dbraw/zinc/63/60/81/823636081.db2.gz PONBQKZGWPXXDQ-BDTNDASRSA-N 1 1 380.557 4.071 20 0 GIADMO O=C(c1ccn(Cc2ccccc2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461434019 823636388 /nfs/dbraw/zinc/63/63/88/823636388.db2.gz XTLZRXGVAGVWSB-ZCYQVOJMSA-N 1 1 399.538 4.131 20 0 GIADMO Cc1oc2ccccc2c1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461436064 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OFKFSWCOAWQOEI-KRWDZBQOSA-N 1 1 385.508 4.387 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)c1cccc(O)c1 ZINC000191437816 823685272 /nfs/dbraw/zinc/68/52/72/823685272.db2.gz CKTBXIFRDLGQHC-UPJWGTAASA-N 1 1 383.517 4.227 20 0 GIADMO O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063661568 823687595 /nfs/dbraw/zinc/68/75/95/823687595.db2.gz CNRVSLDWYFVJSQ-LEWJYISDSA-N 1 1 390.487 4.018 20 0 GIADMO O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000063661568 823687598 /nfs/dbraw/zinc/68/75/98/823687598.db2.gz CNRVSLDWYFVJSQ-LEWJYISDSA-N 1 1 390.487 4.018 20 0 GIADMO O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063661568 823687600 /nfs/dbraw/zinc/68/76/00/823687600.db2.gz CNRVSLDWYFVJSQ-LEWJYISDSA-N 1 1 390.487 4.018 20 0 GIADMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000191465726 823688069 /nfs/dbraw/zinc/68/80/69/823688069.db2.gz YEKGEOIZQQCSKG-UHFFFAOYSA-N 1 1 379.859 4.170 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCOc2ccccc2-c2ccccc2)C1 ZINC000063694114 823690004 /nfs/dbraw/zinc/69/00/04/823690004.db2.gz ZWBYDFGHZPPAAH-HXUWFJFHSA-N 1 1 380.532 4.359 20 0 GIADMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000191492867 823690972 /nfs/dbraw/zinc/69/09/72/823690972.db2.gz MVWFJQWVATWTCD-QHCPKHFHSA-N 1 1 380.532 4.002 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)N2CCC[N@H+](C(C)(C)C)CC2)on1 ZINC000063723844 823691750 /nfs/dbraw/zinc/69/17/50/823691750.db2.gz MZQYXNKFPBKZPA-UHFFFAOYSA-N 1 1 387.549 4.222 20 0 GIADMO Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000063723630 823691763 /nfs/dbraw/zinc/69/17/63/823691763.db2.gz HSPXNJCKWVTPOC-UHFFFAOYSA-N 1 1 378.516 4.172 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000063727588 823692099 /nfs/dbraw/zinc/69/20/99/823692099.db2.gz YOCSQADNTWXERA-UHFFFAOYSA-N 1 1 397.997 4.400 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1OC ZINC000063727020 823692134 /nfs/dbraw/zinc/69/21/34/823692134.db2.gz LVXKLCDJQMPASK-UHFFFAOYSA-N 1 1 382.932 4.084 20 0 GIADMO CC(C)Oc1cc(Br)ccc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063727569 823692175 /nfs/dbraw/zinc/69/21/75/823692175.db2.gz YXTQCFOYIBELNW-UHFFFAOYSA-N 1 1 397.357 4.183 20 0 GIADMO C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1cc(F)c(Cl)cc1Cl ZINC000461758712 823692580 /nfs/dbraw/zinc/69/25/80/823692580.db2.gz XIQURSJCVOSDES-JTQLQIEISA-N 1 1 386.254 4.207 20 0 GIADMO CC(C)OC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)cs1 ZINC000063741669 823693093 /nfs/dbraw/zinc/69/30/93/823693093.db2.gz RGWMXEDLVGLHHI-QGZVFWFLSA-N 1 1 392.952 4.498 20 0 GIADMO CC(C)OC(=O)Cc1nc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)cs1 ZINC000063741669 823693096 /nfs/dbraw/zinc/69/30/96/823693096.db2.gz RGWMXEDLVGLHHI-QGZVFWFLSA-N 1 1 392.952 4.498 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000063758025 823693785 /nfs/dbraw/zinc/69/37/85/823693785.db2.gz WUJBFEAELMEIFZ-HNNXBMFYSA-N 1 1 375.900 4.379 20 0 GIADMO FC(F)COc1ncccc1C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191519479 823694784 /nfs/dbraw/zinc/69/47/84/823694784.db2.gz PTEMWQGSTOORAC-UHFFFAOYSA-N 1 1 397.672 4.493 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000063776594 823695040 /nfs/dbraw/zinc/69/50/40/823695040.db2.gz MIZAYXLRNUSKSK-LJQANCHMSA-N 1 1 390.531 4.349 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000063778471 823695383 /nfs/dbraw/zinc/69/53/83/823695383.db2.gz FNWQPYAGAVNTON-UHFFFAOYSA-N 1 1 388.943 4.171 20 0 GIADMO CC[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412965234 823695489 /nfs/dbraw/zinc/69/54/89/823695489.db2.gz BMHWHZLUVDUKKV-HUUCEWRRSA-N 1 1 381.358 4.212 20 0 GIADMO C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)C(C)(C)C ZINC000412971999 823695814 /nfs/dbraw/zinc/69/58/14/823695814.db2.gz NNZRMWWLMDQTQN-AWEZNQCLSA-N 1 1 381.358 4.212 20 0 GIADMO CS[C@@H](C)CCC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412978810 823696353 /nfs/dbraw/zinc/69/63/53/823696353.db2.gz YSUBOECLKYQVCJ-AWEZNQCLSA-N 1 1 399.398 4.061 20 0 GIADMO CCCn1c(S[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1-c1ccncc1 ZINC000412978827 823696382 /nfs/dbraw/zinc/69/63/82/823696382.db2.gz BSWSVOSKMKIYII-IBGZPJMESA-N 1 1 379.533 4.117 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)CC2)c1 ZINC000191545127 823698108 /nfs/dbraw/zinc/69/81/08/823698108.db2.gz MOAGDZCMBUIEAJ-PKOBYXMFSA-N 1 1 396.535 4.078 20 0 GIADMO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000125709810 823698933 /nfs/dbraw/zinc/69/89/33/823698933.db2.gz QCGAPMTVNOSHMM-GOSISDBHSA-N 1 1 398.572 4.459 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2C(=O)c2cccs2)C1 ZINC000063823078 823699780 /nfs/dbraw/zinc/69/97/80/823699780.db2.gz LFIFPBGSBJHCRD-QGZVFWFLSA-N 1 1 384.545 4.221 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1OCC ZINC000063836288 823700663 /nfs/dbraw/zinc/70/06/63/823700663.db2.gz DGMRBDYGZUTZCT-MRXNPFEDSA-N 1 1 396.959 4.378 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000163310427 823700747 /nfs/dbraw/zinc/70/07/47/823700747.db2.gz BYUGTIUKEDHJGV-RTWAWAEBSA-N 1 1 398.497 4.439 20 0 GIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CSc3nc(C)cs3)cc2)C1 ZINC000063852675 823702395 /nfs/dbraw/zinc/70/23/95/823702395.db2.gz QUIAUSCYEYDOMO-KRWDZBQOSA-N 1 1 389.590 4.206 20 0 GIADMO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191575680 823702921 /nfs/dbraw/zinc/70/29/21/823702921.db2.gz SIRXVBQUUDZFCU-ILXRZTDVSA-N 1 1 380.533 4.196 20 0 GIADMO CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)[C@H](C)c1cc2ccccc2o1 ZINC000125756385 823704931 /nfs/dbraw/zinc/70/49/31/823704931.db2.gz ZEWBRTKIWYWPCO-OAHLLOKOSA-N 1 1 379.460 4.413 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)[C@H](C)c1cc2ccccc2o1 ZINC000125756385 823704934 /nfs/dbraw/zinc/70/49/34/823704934.db2.gz ZEWBRTKIWYWPCO-OAHLLOKOSA-N 1 1 379.460 4.413 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000413098840 823706738 /nfs/dbraw/zinc/70/67/38/823706738.db2.gz ATSQRKPYENXBBT-IFMALSPDSA-N 1 1 399.579 4.062 20 0 GIADMO C[C@@H](Cc1ccccc1F)C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000574351839 823706848 /nfs/dbraw/zinc/70/68/48/823706848.db2.gz JIZZVMUZUFZPDO-UWJYYQICSA-N 1 1 380.463 4.245 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc3ccccc3)c2)no1 ZINC000163420599 823707832 /nfs/dbraw/zinc/70/78/32/823707832.db2.gz SRIGCEPOIOEINZ-UHFFFAOYSA-N 1 1 393.491 4.077 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(CCCOc2ccc(F)cc2)no1 ZINC000574364690 823709279 /nfs/dbraw/zinc/70/92/79/823709279.db2.gz JHVJFXSUZJUMFI-DYESRHJHSA-N 1 1 395.478 4.456 20 0 GIADMO c1nc(N2CCOCC2)sc1C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000125792498 823711487 /nfs/dbraw/zinc/71/14/87/823711487.db2.gz NQEDLQRZIZTSDZ-QFIPXVFZSA-N 1 1 391.540 4.127 20 0 GIADMO C[C@](Cc1ccccc1)(NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000413127394 823711782 /nfs/dbraw/zinc/71/17/82/823711782.db2.gz VRRBPJCWUPXQNZ-WMTXJRDZSA-N 1 1 377.532 4.071 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000191620937 823715895 /nfs/dbraw/zinc/71/58/95/823715895.db2.gz XRJUEOXWAXPMPT-OAHLLOKOSA-N 1 1 387.911 4.259 20 0 GIADMO Cc1nc(CCC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)oc1-c1ccccc1 ZINC000163510928 823716976 /nfs/dbraw/zinc/71/69/76/823716976.db2.gz UBPNFVAABUVXQY-LJQANCHMSA-N 1 1 383.536 4.067 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(F)cc2cccnc21 ZINC000163521444 823718035 /nfs/dbraw/zinc/71/80/35/823718035.db2.gz ADVWJHHFUNWGOH-SEJPIABJSA-N 1 1 389.474 4.299 20 0 GIADMO C[C@@H]1C[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)[C@@H](C)O1 ZINC000413157965 823718217 /nfs/dbraw/zinc/71/82/17/823718217.db2.gz USYYDGOILFAMIR-OPYAIIAOSA-N 1 1 387.568 4.064 20 0 GIADMO CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000125820946 823719347 /nfs/dbraw/zinc/71/93/47/823719347.db2.gz HKYVIRKKQXQUKN-QUCCMNQESA-N 1 1 396.535 4.078 20 0 GIADMO COc1ccccc1-c1nc(C2CC[NH+](Cc3cccc(F)c3F)CC2)no1 ZINC000191633859 823720247 /nfs/dbraw/zinc/72/02/47/823720247.db2.gz DHHZBNIQRIWOJW-UHFFFAOYSA-N 1 1 385.414 4.403 20 0 GIADMO CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000191661114 823726121 /nfs/dbraw/zinc/72/61/21/823726121.db2.gz ZIIPTBDAGKCBRE-QGZVFWFLSA-N 1 1 392.849 4.170 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)C(C)(C)C3)cc2)no1 ZINC000191663343 823726637 /nfs/dbraw/zinc/72/66/37/823726637.db2.gz QNIBANFIHLSLLJ-MRXNPFEDSA-N 1 1 383.414 4.367 20 0 GIADMO C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCC1 ZINC000574434837 823728288 /nfs/dbraw/zinc/72/82/88/823728288.db2.gz DPBHYTCDCKHHER-GOSISDBHSA-N 1 1 393.531 4.333 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1N1CCCCC1 ZINC000574435195 823728590 /nfs/dbraw/zinc/72/85/90/823728590.db2.gz OHIRBGOOHZTXQA-OFNKIYASSA-N 1 1 391.559 4.317 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1CC(F)(F)F ZINC000163633683 823729645 /nfs/dbraw/zinc/72/96/45/823729645.db2.gz PTLKDKLZSUYBOY-BEFAXECRSA-N 1 1 391.437 4.433 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413218769 823730857 /nfs/dbraw/zinc/73/08/57/823730857.db2.gz BKWIXKVNNVKVBI-QSJFSLAZSA-N 1 1 380.916 4.098 20 0 GIADMO COCOc1ccc(OC)cc1CNCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000163686558 823736991 /nfs/dbraw/zinc/73/69/91/823736991.db2.gz NFYCOILDUSPOJS-LJQANCHMSA-N 1 1 398.547 4.342 20 0 GIADMO COCOc1ccc(OC)cc1CNCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000163686558 823736994 /nfs/dbraw/zinc/73/69/94/823736994.db2.gz NFYCOILDUSPOJS-LJQANCHMSA-N 1 1 398.547 4.342 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000163695187 823738131 /nfs/dbraw/zinc/73/81/31/823738131.db2.gz LVDNZOLUTVSCNJ-OAHLLOKOSA-N 1 1 375.900 4.093 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000461885708 823738742 /nfs/dbraw/zinc/73/87/42/823738742.db2.gz AAJQFTMLFNHKSA-UHFFFAOYSA-N 1 1 397.466 4.037 20 0 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CCOc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)cc1OC ZINC000574965838 823874856 /nfs/dbraw/zinc/87/48/56/823874856.db2.gz SJZJVXKNKYIPEM-FQEVSTJZSA-N 1 1 397.519 4.222 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1nc3ccccc3n1Cc1ccccc1C)C2 ZINC000574966417 823875460 /nfs/dbraw/zinc/87/54/60/823875460.db2.gz LEXCONFMOPOICW-SFHVURJKSA-N 1 1 399.498 4.099 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cc2csc(Cc3ccccc3)n2)C1 ZINC000064735736 823875901 /nfs/dbraw/zinc/87/59/01/823875901.db2.gz MWQNSXFXTMPQHS-UEXGIBASSA-N 1 1 397.588 4.140 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000126469467 823876277 /nfs/dbraw/zinc/87/62/77/823876277.db2.gz LHHWKXMOUBFWNW-QGZVFWFLSA-N 1 1 393.314 4.349 20 0 GIADMO CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000064738983 823877010 /nfs/dbraw/zinc/87/70/10/823877010.db2.gz HYQQPDZCFUOVNL-UHFFFAOYSA-N 1 1 386.580 4.427 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC[C@@H]21 ZINC000166682703 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0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167784357 823895342 /nfs/dbraw/zinc/89/53/42/823895342.db2.gz NGORDSJHYOCOIT-UONOGXRCSA-N 1 1 378.438 4.477 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CCCC2(CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000575036316 823896185 /nfs/dbraw/zinc/89/61/85/823896185.db2.gz KZHPYYSZEOJYLN-AWEZNQCLSA-N 1 1 385.335 4.063 20 0 GIADMO C[C@H](NC(C)(C)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccccc1 ZINC000167862120 823896934 /nfs/dbraw/zinc/89/69/34/823896934.db2.gz ZQNIBQDWINICLE-HOTGVXAUSA-N 1 1 392.540 4.009 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1Br ZINC000167899818 823897470 /nfs/dbraw/zinc/89/74/70/823897470.db2.gz OXYOREIADNSWQR-DOMZBBRYSA-N 1 1 393.329 4.358 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)ccc1OCCO ZINC000414067090 823900279 /nfs/dbraw/zinc/90/02/79/823900279.db2.gz IPXVLDZKEZLZAH-OAHLLOKOSA-N 1 1 384.501 4.041 20 0 GIADMO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc2ccccc2c1OC(F)F ZINC000168266921 823901514 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20 0 GIADMO Cc1cc(CNC(=O)N(Cc2ccccc2F)C(C)C)cc(N2CCCC2)[nH+]1 ZINC000462269121 823906725 /nfs/dbraw/zinc/90/67/25/823906725.db2.gz RIRQFXDHVZLDFI-UHFFFAOYSA-N 1 1 384.499 4.250 20 0 GIADMO COC(=O)c1cnc([C@@H](C)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)s1 ZINC000414091326 823907089 /nfs/dbraw/zinc/90/70/89/823907089.db2.gz DELWHCMEGJDUBN-CQSZACIVSA-N 1 1 384.505 4.471 20 0 GIADMO CCN(C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[C@H](C)c1ccc(F)cc1 ZINC000462269637 823907198 /nfs/dbraw/zinc/90/71/98/823907198.db2.gz SOEIPLZBQWSQDT-QGZVFWFLSA-N 1 1 384.499 4.422 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000462274271 823909043 /nfs/dbraw/zinc/90/90/43/823909043.db2.gz UOGZVCZBGJHRQJ-OXJNMPFZSA-N 1 1 392.528 4.452 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000462274272 823909262 /nfs/dbraw/zinc/90/92/62/823909262.db2.gz UOGZVCZBGJHRQJ-OXQOHEQNSA-N 1 1 392.528 4.452 20 0 GIADMO Cc1cc(CNC(=O)N(Cc2ccco2)C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000462277682 823910049 /nfs/dbraw/zinc/91/00/49/823910049.db2.gz VRZGFHQXQGHLHI-UHFFFAOYSA-N 1 1 382.508 4.238 20 0 GIADMO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414102310 823910330 /nfs/dbraw/zinc/91/03/30/823910330.db2.gz XJONDWDEQPSVQQ-KDXIVRHGSA-N 1 1 376.972 4.334 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000414113104 823912271 /nfs/dbraw/zinc/91/22/71/823912271.db2.gz KCHZJLUGCCOBQZ-OAHLLOKOSA-N 1 1 399.516 4.006 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000064932810 823913983 /nfs/dbraw/zinc/91/39/83/823913983.db2.gz AJMFZXQIDLCCSB-ZDUSSCGKSA-N 1 1 394.441 4.220 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000064932810 823913987 /nfs/dbraw/zinc/91/39/87/823913987.db2.gz AJMFZXQIDLCCSB-ZDUSSCGKSA-N 1 1 394.441 4.220 20 0 GIADMO C[C@@H](NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414124080 823914461 /nfs/dbraw/zinc/91/44/61/823914461.db2.gz OXPVTBQYBWFVFM-HXUWFJFHSA-N 1 1 380.580 4.215 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1csc(-c2ccccc2)n1 ZINC000414129429 823915953 /nfs/dbraw/zinc/91/59/53/823915953.db2.gz IFJVOEAZUHDFBL-DNVCBOLYSA-N 1 1 395.503 4.401 20 0 GIADMO C[C@H]1C[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126636188 823916291 /nfs/dbraw/zinc/91/62/91/823916291.db2.gz IOBLBORENOMEBW-HTAPYJJXSA-N 1 1 382.479 4.024 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126636188 823916300 /nfs/dbraw/zinc/91/63/00/823916300.db2.gz IOBLBORENOMEBW-HTAPYJJXSA-N 1 1 382.479 4.024 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1csc(-c2ccccc2)n1 ZINC000414134149 823917050 /nfs/dbraw/zinc/91/70/50/823917050.db2.gz HAEYHFHEKOHJBP-QGZVFWFLSA-N 1 1 379.529 4.498 20 0 GIADMO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462301250 823917138 /nfs/dbraw/zinc/91/71/38/823917138.db2.gz VQTRZAHHVOXOQS-KBXCAEBGSA-N 1 1 398.981 4.071 20 0 GIADMO C[C@H](NCc1ccc2c[nH+]cn2c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414145206 823918130 /nfs/dbraw/zinc/91/81/30/823918130.db2.gz APCCFIQBBBZZKJ-NSHDSACASA-N 1 1 383.345 4.388 20 0 GIADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N(Cc1cccc(-c3cccnc3)c1)C1CC1)CC2 ZINC000575129165 823918966 /nfs/dbraw/zinc/91/89/66/823918966.db2.gz CSJIOBVHHANTBX-NRFANRHFSA-N 1 1 386.499 4.007 20 0 GIADMO Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000462311617 823920908 /nfs/dbraw/zinc/92/09/08/823920908.db2.gz CEEIECVGUDXXTH-UHFFFAOYSA-N 1 1 398.528 4.007 20 0 GIADMO Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000462311617 823920914 /nfs/dbraw/zinc/92/09/14/823920914.db2.gz CEEIECVGUDXXTH-UHFFFAOYSA-N 1 1 398.528 4.007 20 0 GIADMO CC(C)[N@@H+](CCCc1ccncc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000462314828 823921772 /nfs/dbraw/zinc/92/17/72/823921772.db2.gz HTAPWRSXROUJEZ-UHFFFAOYSA-N 1 1 379.426 4.382 20 0 GIADMO CC(C)[N@@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccc(-c2ccccc2F)s1 ZINC000064988163 823922237 /nfs/dbraw/zinc/92/22/37/823922237.db2.gz WVMRTDJAOZVGQE-INIZCTEOSA-N 1 1 390.524 4.012 20 0 GIADMO C[C@H]1C[C@@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186233 823924354 /nfs/dbraw/zinc/92/43/54/823924354.db2.gz PJYRXANXZBUTGV-AIZKBTNYSA-N 1 1 390.506 4.286 20 0 GIADMO C[C@H]1C[C@@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c2nccn21 ZINC000414186233 823924363 /nfs/dbraw/zinc/92/43/63/823924363.db2.gz PJYRXANXZBUTGV-AIZKBTNYSA-N 1 1 390.506 4.286 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000575151715 823924534 /nfs/dbraw/zinc/92/45/34/823924534.db2.gz PJFWISAWBDWHDV-KRWDZBQOSA-N 1 1 396.531 4.206 20 0 GIADMO O=C(Nc1cc(Cl)cc2cccnc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000575152189 823924756 /nfs/dbraw/zinc/92/47/56/823924756.db2.gz NSAPURUNAROBJI-UHFFFAOYSA-N 1 1 380.879 4.238 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1O ZINC000414194554 823925951 /nfs/dbraw/zinc/92/59/51/823925951.db2.gz WIPOQHJGLLTSHH-AKVSHQRBSA-N 1 1 398.572 4.106 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000170648100 823926198 /nfs/dbraw/zinc/92/61/98/823926198.db2.gz PNCXDWVSORMZNH-CQSZACIVSA-N 1 1 391.899 4.342 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000170648100 823926205 /nfs/dbraw/zinc/92/62/05/823926205.db2.gz PNCXDWVSORMZNH-CQSZACIVSA-N 1 1 391.899 4.342 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000414206971 823928723 /nfs/dbraw/zinc/92/87/23/823928723.db2.gz GILPEFHWIXPNKG-ZDUSSCGKSA-N 1 1 397.972 4.244 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000126708922 823932436 /nfs/dbraw/zinc/93/24/36/823932436.db2.gz FDYNKHWDRPCNFR-UHFFFAOYSA-N 1 1 376.504 4.340 20 0 GIADMO CC(=O)N1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180429 823932915 /nfs/dbraw/zinc/93/29/15/823932915.db2.gz VGYAFLMFMQNKCY-GMAHTHKFSA-N 1 1 389.543 4.271 20 0 GIADMO CC(=O)N1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000575180429 823932922 /nfs/dbraw/zinc/93/29/22/823932922.db2.gz VGYAFLMFMQNKCY-GMAHTHKFSA-N 1 1 389.543 4.271 20 0 GIADMO CC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000414223510 823933188 /nfs/dbraw/zinc/93/31/88/823933188.db2.gz OZHWBEAHNLREGW-SJORKVTESA-N 1 1 394.334 4.409 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(SCC(F)F)cc1 ZINC000414226903 823933496 /nfs/dbraw/zinc/93/34/96/823933496.db2.gz CEYAFOGSSIYBIQ-CYBMUJFWSA-N 1 1 385.501 4.298 20 0 GIADMO O=C(c1cccnc1Sc1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126720633 823935348 /nfs/dbraw/zinc/93/53/48/823935348.db2.gz RWJMMDNJUOUXJQ-UTKZUKDTSA-N 1 1 393.556 4.322 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccccc3N3CCCCC3)CC2)cs1 ZINC000170681278 823936552 /nfs/dbraw/zinc/93/65/52/823936552.db2.gz WLTJLEZJTKSMDL-UHFFFAOYSA-N 1 1 398.576 4.293 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2)cs1 ZINC000170682930 823937677 /nfs/dbraw/zinc/93/76/77/823937677.db2.gz YJNPDGZBKISLBJ-CQSZACIVSA-N 1 1 375.513 4.022 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000170684522 823937886 /nfs/dbraw/zinc/93/78/86/823937886.db2.gz NBDFFGKPTFSJQC-JOCHJYFZSA-N 1 1 386.923 4.048 20 0 GIADMO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)CCC2 ZINC000126735219 823938536 /nfs/dbraw/zinc/93/85/36/823938536.db2.gz SGOAEWWZMRCVMJ-KSSFIOAISA-N 1 1 388.556 4.071 20 0 GIADMO C[C@@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000192298702 823939206 /nfs/dbraw/zinc/93/92/06/823939206.db2.gz NVFQFNUFQSJRAL-JTQLQIEISA-N 1 1 399.347 4.205 20 0 GIADMO C[C@@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000192298702 823939217 /nfs/dbraw/zinc/93/92/17/823939217.db2.gz NVFQFNUFQSJRAL-JTQLQIEISA-N 1 1 399.347 4.205 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000414246088 823939624 /nfs/dbraw/zinc/93/96/24/823939624.db2.gz RWPRQJYKOYWETC-UHFFFAOYSA-N 1 1 378.495 4.074 20 0 GIADMO CC[C@@](C)([NH2+]CC(=O)N(C)Cc1ccc(SC)cc1)c1nc(C)cs1 ZINC000126744084 823940395 /nfs/dbraw/zinc/94/03/95/823940395.db2.gz JQNRBJQYKIKNOO-LJQANCHMSA-N 1 1 377.579 4.047 20 0 GIADMO FC(F)(F)c1ccnc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000414247718 823940407 /nfs/dbraw/zinc/94/04/07/823940407.db2.gz OUMGFWVYOBBNQQ-KSZLIROESA-N 1 1 390.453 4.028 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000575213498 823941249 /nfs/dbraw/zinc/94/12/49/823941249.db2.gz FJTOEAHSWYECEL-KNQAVFIVSA-N 1 1 381.520 4.106 20 0 GIADMO CC(C)(CC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)S(C)(=O)=O ZINC000414251042 823941304 /nfs/dbraw/zinc/94/13/04/823941304.db2.gz GQNQOFVSJISTDF-SFHVURJKSA-N 1 1 383.916 4.371 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H]3c3ccccc3C)CC2)cs1 ZINC000170694736 823942626 /nfs/dbraw/zinc/94/26/26/823942626.db2.gz DHQAMHZETDTFFG-NRFANRHFSA-N 1 1 383.561 4.336 20 0 GIADMO CSCc1cccnc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000575220564 823943613 /nfs/dbraw/zinc/94/36/13/823943613.db2.gz MFBYHRILQPMVEX-UHFFFAOYSA-N 1 1 376.551 4.029 20 0 GIADMO O=C1c2ccccc2N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1Cc1cccnc1 ZINC000126758816 823943661 /nfs/dbraw/zinc/94/36/61/823943661.db2.gz WIIQXDYCBNLHPL-VWLOTQADSA-N 1 1 398.510 4.142 20 0 GIADMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccco1)c1ccccn1 ZINC000170703678 823947310 /nfs/dbraw/zinc/94/73/10/823947310.db2.gz OITHGSXMAXFGOM-FQEVSTJZSA-N 1 1 375.472 4.120 20 0 GIADMO CCc1ccc(C(=O)CCC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000065140994 823950344 /nfs/dbraw/zinc/95/03/44/823950344.db2.gz MEPCYKVUMTWQNK-GCJKJVERSA-N 1 1 378.516 4.164 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CSc2ccc(F)c(F)c2)C1 ZINC000065140714 823950411 /nfs/dbraw/zinc/95/04/11/823950411.db2.gz SAUZWVMNIWXDLI-ZBFHGGJFSA-N 1 1 376.472 4.009 20 0 GIADMO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c(C)c1 ZINC000462380169 823950961 /nfs/dbraw/zinc/95/09/61/823950961.db2.gz NFRQRHPHXKZNTQ-INIZCTEOSA-N 1 1 388.533 4.165 20 0 GIADMO COc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c(C)c1 ZINC000462380169 823950964 /nfs/dbraw/zinc/95/09/64/823950964.db2.gz NFRQRHPHXKZNTQ-INIZCTEOSA-N 1 1 388.533 4.165 20 0 GIADMO Cc1ccc([C@@H]([NH2+][C@@H]2CCCC[C@H]2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000414289064 823951957 /nfs/dbraw/zinc/95/19/57/823951957.db2.gz QTPIVLBESPQKKP-NJDAHSKKSA-N 1 1 375.509 4.358 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccoc1Cl ZINC000192341319 823952524 /nfs/dbraw/zinc/95/25/24/823952524.db2.gz IDIULYNYKQYPCG-UHFFFAOYSA-N 1 1 397.700 4.090 20 0 GIADMO CN(C)c1ncc(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)n1C ZINC000414294092 823953300 /nfs/dbraw/zinc/95/33/00/823953300.db2.gz DEICNUHBVVMSRL-LJQANCHMSA-N 1 1 399.336 4.128 20 0 GIADMO COc1cc(-c2nc(C[NH2+][C@H]3CCCc4c(O)cccc43)cs2)ccc1O ZINC000192348527 823955557 /nfs/dbraw/zinc/95/55/57/823955557.db2.gz CTXWUNNQEMUYRI-KRWDZBQOSA-N 1 1 382.485 4.397 20 0 GIADMO COCCCC[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1 ZINC000065165917 823956490 /nfs/dbraw/zinc/95/64/90/823956490.db2.gz PENJGRVBBQFTSP-HSZRJFAPSA-N 1 1 380.532 4.109 20 0 GIADMO CS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000414339602 823961216 /nfs/dbraw/zinc/96/12/16/823961216.db2.gz JQVYOGLSMYCGQC-UHFFFAOYSA-N 1 1 376.330 4.237 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cs2)cc1 ZINC000192368763 823961346 /nfs/dbraw/zinc/96/13/46/823961346.db2.gz AOQLBCNYHBZNGF-LJQANCHMSA-N 1 1 394.496 4.470 20 0 GIADMO C[NH+](C)[C@@H](C(=O)NC[C@H](Cc1ccccc1)C(F)(F)F)c1cccc(Cl)c1 ZINC000575376348 823965274 /nfs/dbraw/zinc/96/52/74/823965274.db2.gz LJHSKBDHUONRHH-FUHWJXTLSA-N 1 1 398.856 4.480 20 0 GIADMO COC[C@H](C)[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000462415754 823966344 /nfs/dbraw/zinc/96/63/44/823966344.db2.gz PCZPUQCZLVECHK-BCACQPSKSA-N 1 1 392.971 4.289 20 0 GIADMO COC[C@H](C)[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000462415756 823966380 /nfs/dbraw/zinc/96/63/80/823966380.db2.gz PCZPUQCZLVECHK-MQCNIWAOSA-N 1 1 392.971 4.289 20 0 GIADMO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126854672 823967175 /nfs/dbraw/zinc/96/71/75/823967175.db2.gz ONGRQEPYCVUPIG-XXBNENTESA-N 1 1 388.511 4.007 20 0 GIADMO Cc1cc(C[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)ccc1C(F)(F)F ZINC000414370454 823967376 /nfs/dbraw/zinc/96/73/76/823967376.db2.gz WFEFKNALSAZOPY-CQSZACIVSA-N 1 1 394.401 4.059 20 0 GIADMO CC[N@H+](Cc1ccc(OCc2cccs2)c(OC)c1)Cc1ccc(C)nn1 ZINC000414375784 823968701 /nfs/dbraw/zinc/96/87/01/823968701.db2.gz ZTAPHPBTVYUGCH-UHFFFAOYSA-N 1 1 383.517 4.456 20 0 GIADMO CC[N@@H+](Cc1ccc(OCc2cccs2)c(OC)c1)Cc1ccc(C)nn1 ZINC000414375784 823968707 /nfs/dbraw/zinc/96/87/07/823968707.db2.gz ZTAPHPBTVYUGCH-UHFFFAOYSA-N 1 1 383.517 4.456 20 0 GIADMO FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)cc2)n1 ZINC000126865868 823970054 /nfs/dbraw/zinc/97/00/54/823970054.db2.gz RBYSWNBOLSZHTI-UHFFFAOYSA-N 1 1 397.404 4.367 20 0 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375.516 4.435 20 0 GIADMO Clc1nnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ccccc12 ZINC001164622713 719060834 /nfs/dbraw/zinc/06/08/34/719060834.db2.gz IQFLDJZTVGLLKS-PXNSSMCTSA-N 1 1 378.907 4.384 20 0 GIADMO CC(C)(C)OC(=O)c1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164621044 719060981 /nfs/dbraw/zinc/06/09/81/719060981.db2.gz GMPBNJILWTWMKT-SFTDATJTSA-N 1 1 393.531 4.138 20 0 GIADMO Clc1ccc2ncnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164620497 719064024 /nfs/dbraw/zinc/06/40/24/719064024.db2.gz FNMYZPCGEFPAII-UTKZUKDTSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1cnc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2c1 ZINC001164620411 719075181 /nfs/dbraw/zinc/07/51/81/719075181.db2.gz DTSRKVOFHKLQIT-QUCCMNQESA-N 1 1 378.907 4.384 20 0 GIADMO c1csc(-c2cc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)ncn2)c1 ZINC001164623423 719101254 /nfs/dbraw/zinc/10/12/54/719101254.db2.gz CZBCVQIALOXRTM-ICSRJNTNSA-N 1 1 376.529 4.306 20 0 GIADMO Fc1cccc(-c2ccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)c1 ZINC001164632532 719103066 /nfs/dbraw/zinc/10/30/66/719103066.db2.gz ZQZNIDJWYKCPHE-REWPJTCUSA-N 1 1 388.490 4.384 20 0 GIADMO c1ccc(C[N@H+]2C[C@H]3CCCN(c4nccnc4Oc4ccccc4)[C@H]3C2)cc1 ZINC001164621810 719105635 /nfs/dbraw/zinc/10/56/35/719105635.db2.gz AXQWJUMABOLIMD-IRLDBZIGSA-N 1 1 386.499 4.370 20 0 GIADMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164637520 719257443 /nfs/dbraw/zinc/25/74/43/719257443.db2.gz VYQLIMCLPPVQMX-RYUDHWBXSA-N 1 1 384.833 4.010 20 0 GIADMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164637520 719257444 /nfs/dbraw/zinc/25/74/44/719257444.db2.gz VYQLIMCLPPVQMX-RYUDHWBXSA-N 1 1 384.833 4.010 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164637518 719257461 /nfs/dbraw/zinc/25/74/61/719257461.db2.gz VYQLIMCLPPVQMX-NWDGAFQWSA-N 1 1 384.833 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164637518 719257462 /nfs/dbraw/zinc/25/74/62/719257462.db2.gz VYQLIMCLPPVQMX-NWDGAFQWSA-N 1 1 384.833 4.010 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)cc4cccnc42)CC3)cs1 ZINC001164692173 719815107 /nfs/dbraw/zinc/81/51/07/719815107.db2.gz MQZDLORMSBDBMS-UHFFFAOYSA-N 1 1 393.560 4.338 20 0 GIADMO CCSc1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164707374 719902570 /nfs/dbraw/zinc/90/25/70/719902570.db2.gz QWTYMRNWNZVBMG-UHFFFAOYSA-N 1 1 389.590 4.127 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3sccc31)C2 ZINC001164805878 720099196 /nfs/dbraw/zinc/09/91/96/720099196.db2.gz AIKSNUJEJUNNDE-MGPUTAFESA-N 1 1 391.968 4.134 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164806440 720099790 /nfs/dbraw/zinc/09/97/90/720099790.db2.gz CTUCJTWVFGELMA-XMSQKQJNSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164806955 720100241 /nfs/dbraw/zinc/10/02/41/720100241.db2.gz ABYSBUIPWDOCBN-GCJKJVERSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3cccc(Cl)c31)C2 ZINC001164814467 720121412 /nfs/dbraw/zinc/12/14/12/720121412.db2.gz SZQXCMGCBAMLBQ-PGRDOPGGSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cccc(C)c31)C2 ZINC001164813039 720194448 /nfs/dbraw/zinc/19/44/48/720194448.db2.gz BZDZVXBGDDRUPN-WMZHIEFXSA-N 1 1 399.966 4.381 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3cccc(C)c31)C2 ZINC001164813038 720195428 /nfs/dbraw/zinc/19/54/28/720195428.db2.gz BZDZVXBGDDRUPN-CVDCTZTESA-N 1 1 399.966 4.381 20 0 GIADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724098 720336173 /nfs/dbraw/zinc/33/61/73/720336173.db2.gz JAUKJYCIRUMZTE-JKSUJKDBSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724098 720336178 /nfs/dbraw/zinc/33/61/78/720336178.db2.gz JAUKJYCIRUMZTE-JKSUJKDBSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721108 720340326 /nfs/dbraw/zinc/34/03/26/720340326.db2.gz AGXKQDAZGMVYTQ-HZPDHXFCSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721108 720340332 /nfs/dbraw/zinc/34/03/32/720340332.db2.gz AGXKQDAZGMVYTQ-HZPDHXFCSA-N 1 1 399.272 4.182 20 0 GIADMO Clc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)cc1 ZINC001164727696 720345032 /nfs/dbraw/zinc/34/50/32/720345032.db2.gz UFSWJNTURBKRSK-RTWAWAEBSA-N 1 1 391.906 4.045 20 0 GIADMO Cc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164726508 720397863 /nfs/dbraw/zinc/39/78/63/720397863.db2.gz OZWPVTBWJATUQZ-UXHICEINSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1c(Cl)ccc2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc21 ZINC001164735413 720420263 /nfs/dbraw/zinc/42/02/63/720420263.db2.gz XGJVOCJJYQYCDM-PMACEKPBSA-N 1 1 378.907 4.445 20 0 GIADMO CCCCOc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164735874 720423946 /nfs/dbraw/zinc/42/39/46/720423946.db2.gz YVHFAEJJPGLQCR-WOJBJXKFSA-N 1 1 386.927 4.162 20 0 GIADMO CCCCOc1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164735874 720423955 /nfs/dbraw/zinc/42/39/55/720423955.db2.gz YVHFAEJJPGLQCR-WOJBJXKFSA-N 1 1 386.927 4.162 20 0 GIADMO Clc1cccc(-c2cc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ncn2)c1 ZINC001164733929 720450133 /nfs/dbraw/zinc/45/01/33/720450133.db2.gz QTDGJKCRYKUUIC-SFTDATJTSA-N 1 1 391.906 4.045 20 0 GIADMO CC(C)c1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc(C(C)(C)C)n1 ZINC001164729324 720455436 /nfs/dbraw/zinc/45/54/36/720455436.db2.gz GYOCSDGEVYTWOO-RBUKOAKNSA-N 1 1 379.552 4.146 20 0 GIADMO Cc1cccc2c1ccnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164838521 720548068 /nfs/dbraw/zinc/54/80/68/720548068.db2.gz OGXWREKRIWFRHZ-SXWKCWPCSA-N 1 1 389.547 4.118 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccccc31)CC2 ZINC001164844262 720666443 /nfs/dbraw/zinc/66/64/43/720666443.db2.gz ZQXLCILUAYIJOX-JOCHJYFZSA-N 1 1 387.527 4.495 20 0 GIADMO CC(C)c1cc2c(ncnc2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)s1 ZINC001164854598 720920716 /nfs/dbraw/zinc/92/07/16/720920716.db2.gz FYLXIRMFRRKKOS-OAHLLOKOSA-N 1 1 398.580 4.433 20 0 GIADMO Cc1ccc2nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c(Cl)nc2c1 ZINC001164860477 720955704 /nfs/dbraw/zinc/95/57/04/720955704.db2.gz QBEIDGHVTLIKHI-HNNXBMFYSA-N 1 1 398.942 4.210 20 0 GIADMO Cc1nc2cc(Cl)ccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856134 720963405 /nfs/dbraw/zinc/96/34/05/720963405.db2.gz AVZXPPQFIPXKBJ-AWEZNQCLSA-N 1 1 398.942 4.210 20 0 GIADMO Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c(Cl)cc1Cl ZINC001164856270 720993057 /nfs/dbraw/zinc/99/30/57/720993057.db2.gz AMEKOLDWBOYPGC-CYBMUJFWSA-N 1 1 382.339 4.315 20 0 GIADMO Clc1cc(Cl)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c(Cl)n1 ZINC001164785873 721399947 /nfs/dbraw/zinc/39/99/47/721399947.db2.gz NKOUIKSMSCFCDA-UWVGGRQHSA-N 1 1 389.739 4.067 20 0 GIADMO CC(C)(C)c1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164791001 721424517 /nfs/dbraw/zinc/42/45/17/721424517.db2.gz YXCGZRJRTHCLEM-IYBDPMFKSA-N 1 1 399.608 4.096 20 0 GIADMO CC(C)(C)c1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164791001 721424519 /nfs/dbraw/zinc/42/45/19/721424519.db2.gz YXCGZRJRTHCLEM-IYBDPMFKSA-N 1 1 399.608 4.096 20 0 GIADMO Fc1ccc(Cl)c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc12 ZINC001164789562 721435829 /nfs/dbraw/zinc/43/58/29/721435829.db2.gz VTGUVZAQXKLDJO-BETUJISGSA-N 1 1 388.899 4.052 20 0 GIADMO Fc1ccc(Cl)c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc12 ZINC001164789562 721435831 /nfs/dbraw/zinc/43/58/31/721435831.db2.gz VTGUVZAQXKLDJO-BETUJISGSA-N 1 1 388.899 4.052 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H](CCN3C(=O)C(C)C)C2)nc1 ZINC001164888197 721467125 /nfs/dbraw/zinc/46/71/25/721467125.db2.gz FDQYJQNXWJNIIQ-VSKRKVRLSA-N 1 1 398.595 4.102 20 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721822686 /nfs/dbraw/zinc/82/26/86/721822686.db2.gz HXULKUQBXKLULK-OEMFJLHTSA-N 1 1 399.542 4.276 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(-c4ccccc4)cn3)C[C@H]21 ZINC001165024647 721823435 /nfs/dbraw/zinc/82/34/35/721823435.db2.gz KVEWGNQBAPFHDQ-KIFXHHALSA-N 1 1 399.542 4.276 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(-c4ccccc4)cn3)C[C@@H]21 ZINC001165024650 721823491 /nfs/dbraw/zinc/82/34/91/721823491.db2.gz KVEWGNQBAPFHDQ-ODGPQVTHSA-N 1 1 399.542 4.276 20 0 GIADMO CCc1c(Cl)nnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1CC ZINC001164952981 722018319 /nfs/dbraw/zinc/01/83/19/722018319.db2.gz QDJXZLHIKVKRBC-UHFFFAOYSA-N 1 1 399.970 4.142 20 0 GIADMO C[N@@H+](Cc1ccc(N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164976086 722165680 /nfs/dbraw/zinc/16/56/80/722165680.db2.gz JOIRGHCJOLLRRT-UPVQGACJSA-N 1 1 399.579 4.011 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4cc(F)ccc42)C3)c1 ZINC001164993283 722193580 /nfs/dbraw/zinc/19/35/80/722193580.db2.gz FFEQKJCAGXPTRH-JOCHJYFZSA-N 1 1 380.442 4.153 20 0 GIADMO CSc1ncc(Cl)c(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995151 722194731 /nfs/dbraw/zinc/19/47/31/722194731.db2.gz SEBKLJILLOMLQA-LJQANCHMSA-N 1 1 392.931 4.236 20 0 GIADMO CSc1ncc(Cl)c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995151 722194734 /nfs/dbraw/zinc/19/47/34/722194734.db2.gz SEBKLJILLOMLQA-LJQANCHMSA-N 1 1 392.931 4.236 20 0 GIADMO COc1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994451 722204131 /nfs/dbraw/zinc/20/41/31/722204131.db2.gz HFKVSBUEOHEHTE-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO COc1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(Cl)c1 ZINC001164994451 722204138 /nfs/dbraw/zinc/20/41/38/722204138.db2.gz HFKVSBUEOHEHTE-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncc4cc(F)ccc4n2)C3)c1 ZINC001164996671 722205472 /nfs/dbraw/zinc/20/54/72/722205472.db2.gz VCPCQGLYHBTVRW-JOCHJYFZSA-N 1 1 380.442 4.153 20 0 GIADMO COc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)ccc1Cl ZINC001164995986 722205835 /nfs/dbraw/zinc/20/58/35/722205835.db2.gz RCYXYVVETOUWBP-HXUWFJFHSA-N 1 1 375.875 4.128 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4ncc(F)cc4n2)C3)c1 ZINC001164994516 722206719 /nfs/dbraw/zinc/20/67/19/722206719.db2.gz IFUWZRDOVHIXIZ-JOCHJYFZSA-N 1 1 380.442 4.153 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C)c1 ZINC000055805875 823046813 /nfs/dbraw/zinc/04/68/13/823046813.db2.gz IKYXNQSVJURMFB-ROUUACIJSA-N 1 1 382.504 4.255 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1ccc(Cl)cc1F ZINC000175830099 823049918 /nfs/dbraw/zinc/04/99/18/823049918.db2.gz IIMCDHAICYWZBY-YOEHRIQHSA-N 1 1 396.915 4.457 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)CCCc2cccnc2)cc1 ZINC000458525845 823050959 /nfs/dbraw/zinc/05/09/59/823050959.db2.gz JQGPHOPTEGNQRE-ZWKOTPCHSA-N 1 1 391.519 4.347 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)C1 ZINC000187375932 823052274 /nfs/dbraw/zinc/05/22/74/823052274.db2.gz FSXXTCBXKAQDFE-XXBNENTESA-N 1 1 399.579 4.019 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCOc3cccc(C)c3)C2)s1 ZINC000570553121 823053349 /nfs/dbraw/zinc/05/33/49/823053349.db2.gz IICMFXVTPMZIFF-LJQANCHMSA-N 1 1 386.561 4.114 20 0 GIADMO Cn1c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)nc2cc(Cl)ccc21 ZINC000175846279 823053787 /nfs/dbraw/zinc/05/37/87/823053787.db2.gz ONHNLBRJHFGGTQ-YOEHRIQHSA-N 1 1 375.925 4.376 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](OCC)[C@H](C)C2)c1 ZINC000458545350 823053770 /nfs/dbraw/zinc/05/37/70/823053770.db2.gz PMKKLEWNYHEQHW-DENIHFKCSA-N 1 1 389.584 4.265 20 0 GIADMO O=C(C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1)NCc1ccc(F)cc1 ZINC000570567109 823055661 /nfs/dbraw/zinc/05/56/61/823055661.db2.gz RCPFYWRQNVOSIK-FPOVZHCZSA-N 1 1 388.527 4.036 20 0 GIADMO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000175851959 823055788 /nfs/dbraw/zinc/05/57/88/823055788.db2.gz GGLHCWDHAMJACF-ROUUACIJSA-N 1 1 394.581 4.283 20 0 GIADMO COc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175864869 823058705 /nfs/dbraw/zinc/05/87/05/823058705.db2.gz FIBVAEUREQBKKS-WMZOPIPTSA-N 1 1 388.533 4.064 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)cc1F ZINC000175858051 823056860 /nfs/dbraw/zinc/05/68/60/823056860.db2.gz JOFRZKHEGUIWJN-CRAIPNDOSA-N 1 1 394.487 4.333 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1)Nc1ccc(F)cc1F ZINC000175858051 823056864 /nfs/dbraw/zinc/05/68/64/823056864.db2.gz JOFRZKHEGUIWJN-CRAIPNDOSA-N 1 1 394.487 4.333 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1)c1cccs1 ZINC000175862610 823057946 /nfs/dbraw/zinc/05/79/46/823057946.db2.gz DPOZQSBNRZOTOB-MOPGFXCFSA-N 1 1 382.533 4.197 20 0 GIADMO OCC[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(Cl)cc1 ZINC000570592686 823059217 /nfs/dbraw/zinc/05/92/17/823059217.db2.gz GJTJRNOGCUZGPZ-FCJDFRRUSA-N 1 1 384.951 4.264 20 0 GIADMO OCC[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(Cl)cc1 ZINC000570592686 823059222 /nfs/dbraw/zinc/05/92/22/823059222.db2.gz GJTJRNOGCUZGPZ-FCJDFRRUSA-N 1 1 384.951 4.264 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)C2)C1 ZINC000458591490 823060631 /nfs/dbraw/zinc/06/06/31/823060631.db2.gz CYKMPCZKZORLMS-UYAOXDASSA-N 1 1 395.469 4.284 20 0 GIADMO C[N@@H+]1CC[C@@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000458593607 823060925 /nfs/dbraw/zinc/06/09/25/823060925.db2.gz QKFJDUKDHHWELG-CABCVRRESA-N 1 1 389.849 4.069 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000458593607 823060928 /nfs/dbraw/zinc/06/09/28/823060928.db2.gz QKFJDUKDHHWELG-CABCVRRESA-N 1 1 389.849 4.069 20 0 GIADMO c1cc2cccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616327 823062779 /nfs/dbraw/zinc/06/27/79/823062779.db2.gz CDBUWZUTHYOXGL-QHCPKHFHSA-N 1 1 389.543 4.186 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N2CC(C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458613646 823063692 /nfs/dbraw/zinc/06/36/92/823063692.db2.gz JDZUUPZLIQRVPT-RDTXWAMCSA-N 1 1 381.923 4.159 20 0 GIADMO CC[N@@H+]1CC[C@H](CNCc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000120792171 823064971 /nfs/dbraw/zinc/06/49/71/823064971.db2.gz KIYWUWMQXMEPCK-LJQANCHMSA-N 1 1 380.561 4.091 20 0 GIADMO CC[N@H+]1CC[C@H](CNCc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000120792171 823064978 /nfs/dbraw/zinc/06/49/78/823064978.db2.gz KIYWUWMQXMEPCK-LJQANCHMSA-N 1 1 380.561 4.091 20 0 GIADMO Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000120792478 823065148 /nfs/dbraw/zinc/06/51/48/823065148.db2.gz CRIWAXZOLVGTKD-WMLDXEAASA-N 1 1 392.341 4.238 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187449355 823065708 /nfs/dbraw/zinc/06/57/08/823065708.db2.gz WXMKUNMHDQOELM-JWIGPWBQSA-N 1 1 385.508 4.001 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187449355 823065712 /nfs/dbraw/zinc/06/57/12/823065712.db2.gz WXMKUNMHDQOELM-JWIGPWBQSA-N 1 1 385.508 4.001 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)NC2(C3(C)CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458629271 823066533 /nfs/dbraw/zinc/06/65/33/823066533.db2.gz WSUOCSXBAOCTMW-YOEHRIQHSA-N 1 1 379.907 4.104 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)[C@H](C)C1 ZINC000120819443 823070627 /nfs/dbraw/zinc/07/06/27/823070627.db2.gz YOSGVRHKULZKCQ-ZBFHGGJFSA-N 1 1 387.446 4.130 20 0 GIADMO COc1ccc(OC(F)F)c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000120818462 823070652 /nfs/dbraw/zinc/07/06/52/823070652.db2.gz UALHTXRWJMMNBP-UHFFFAOYSA-N 1 1 390.430 4.147 20 0 GIADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000187476419 823070875 /nfs/dbraw/zinc/07/08/75/823070875.db2.gz VFENQPMKSIRMAT-LJQANCHMSA-N 1 1 388.943 4.033 20 0 GIADMO CC(C)c1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000120827735 823072507 /nfs/dbraw/zinc/07/25/07/823072507.db2.gz UZWASFWSANNXMA-HXUWFJFHSA-N 1 1 381.520 4.088 20 0 GIADMO C[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ncc(Br)cc1F ZINC000187487911 823073561 /nfs/dbraw/zinc/07/35/61/823073561.db2.gz GELSNHHSVGVTHV-OCCSQVGLSA-N 1 1 387.293 4.100 20 0 GIADMO C[C@@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458683443 823073974 /nfs/dbraw/zinc/07/39/74/823073974.db2.gz OZILREIKBKQAEP-YLJYHZDGSA-N 1 1 397.950 4.359 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120847810 823075917 /nfs/dbraw/zinc/07/59/17/823075917.db2.gz UYJGIHLVVAKWPI-OAHLLOKOSA-N 1 1 384.499 4.022 20 0 GIADMO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120853733 823077160 /nfs/dbraw/zinc/07/71/60/823077160.db2.gz MKZNBMFEEJZLSX-ZFWWWQNUSA-N 1 1 399.470 4.497 20 0 GIADMO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120853733 823077164 /nfs/dbraw/zinc/07/71/64/823077164.db2.gz MKZNBMFEEJZLSX-ZFWWWQNUSA-N 1 1 399.470 4.497 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3OC(F)F)sc2C1 ZINC000175943918 823078416 /nfs/dbraw/zinc/07/84/16/823078416.db2.gz LNTQFJHNIXLLJL-UHFFFAOYSA-N 1 1 387.839 4.028 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3cc(Cl)ccc3OC(F)F)sc2C1 ZINC000175943918 823078423 /nfs/dbraw/zinc/07/84/23/823078423.db2.gz LNTQFJHNIXLLJL-UHFFFAOYSA-N 1 1 387.839 4.028 20 0 GIADMO CCC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1F ZINC000120860210 823078532 /nfs/dbraw/zinc/07/85/32/823078532.db2.gz QAVMYAVTJKNYJP-XOBRGWDASA-N 1 1 396.503 4.407 20 0 GIADMO CC1(C)OCc2cc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)ccc2O1 ZINC000187514191 823078602 /nfs/dbraw/zinc/07/86/02/823078602.db2.gz BYPIIEDWOKRFTD-MRXNPFEDSA-N 1 1 395.425 4.384 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000570740202 823079072 /nfs/dbraw/zinc/07/90/72/823079072.db2.gz HRQCUXXKBICACN-OXQOHEQNSA-N 1 1 388.943 4.244 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000056039613 823081006 /nfs/dbraw/zinc/08/10/06/823081006.db2.gz DNRHKIYBUAMDMV-UHFFFAOYSA-N 1 1 397.277 4.260 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc(Cl)cc2cccnc21 ZINC000056040360 823081235 /nfs/dbraw/zinc/08/12/35/823081235.db2.gz NAMNNDLDOGWYDX-UHFFFAOYSA-N 1 1 395.890 4.015 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(-c3ncon3)cc2)[C@@H]1c1cccs1 ZINC000175969100 823084521 /nfs/dbraw/zinc/08/45/21/823084521.db2.gz KTMHEOZEPUSGGD-MAUKXSAKSA-N 1 1 397.504 4.003 20 0 GIADMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000187562148 823088922 /nfs/dbraw/zinc/08/89/22/823088922.db2.gz CSYHTCZLGHQOJH-CYFREDJKSA-N 1 1 380.532 4.089 20 0 GIADMO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1 ZINC000570826018 823092398 /nfs/dbraw/zinc/09/23/98/823092398.db2.gz MNOQAUDSQSQIFT-CYBMUJFWSA-N 1 1 376.298 4.434 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000120955536 823092665 /nfs/dbraw/zinc/09/26/65/823092665.db2.gz LUICOXSHHAFKKF-UHFFFAOYSA-N 1 1 391.540 4.339 20 0 GIADMO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(COc2ccccc2)cc1)c1ccccc1 ZINC000056153592 823090178 /nfs/dbraw/zinc/09/01/78/823090178.db2.gz AWHCKEZGJZJCPP-DEOSSOPVSA-N 1 1 386.495 4.375 20 0 GIADMO CCOc1cc(CNc2ccccc2C[NH+]2CCOCC2)cc(Cl)c1OC ZINC000120943961 823090696 /nfs/dbraw/zinc/09/06/96/823090696.db2.gz NVOPERJOMNGYGB-UHFFFAOYSA-N 1 1 390.911 4.192 20 0 GIADMO Cc1ncc(C[NH2+]Cc2cc(Br)ccc2Br)s1 ZINC000187576016 823091187 /nfs/dbraw/zinc/09/11/87/823091187.db2.gz LYSZPFZVUZMVEA-UHFFFAOYSA-N 1 1 376.117 4.266 20 0 GIADMO Cc1ccc(SC[C@@H](C)NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000187591786 823094072 /nfs/dbraw/zinc/09/40/72/823094072.db2.gz MMTAUOIPBQHMLH-GOSISDBHSA-N 1 1 383.561 4.212 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc3cccnc32)[C@@H]1c1cccs1 ZINC000176009675 823094850 /nfs/dbraw/zinc/09/48/50/823094850.db2.gz RZUSLJSEZJWGNU-WIYYLYMNSA-N 1 1 394.544 4.179 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000570847627 823095096 /nfs/dbraw/zinc/09/50/96/823095096.db2.gz TUIAWCLMZFNIPR-HXOBKFHXSA-N 1 1 391.490 4.461 20 0 GIADMO CCOc1cccc([C@@H](C)NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000176012223 823095798 /nfs/dbraw/zinc/09/57/98/823095798.db2.gz LVQNGTPPYNKLGO-TZIWHRDSSA-N 1 1 395.547 4.310 20 0 GIADMO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[NH+]2CCC(C)CC2)o1 ZINC000120974395 823095848 /nfs/dbraw/zinc/09/58/48/823095848.db2.gz RLTZEZFCZNBKQP-UHFFFAOYSA-N 1 1 378.520 4.500 20 0 GIADMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120998423 823100014 /nfs/dbraw/zinc/10/00/14/823100014.db2.gz HGIOBRDHPKZTKA-ZDUSSCGKSA-N 1 1 381.863 4.386 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000570882783 823101586 /nfs/dbraw/zinc/10/15/86/823101586.db2.gz XYJANOBVUAZYNA-SFHVURJKSA-N 1 1 383.517 4.351 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000570882783 823101587 /nfs/dbraw/zinc/10/15/87/823101587.db2.gz XYJANOBVUAZYNA-SFHVURJKSA-N 1 1 383.517 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C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(C3CC3)cc2)c1)C1CCOCC1 ZINC000459403773 823185108 /nfs/dbraw/zinc/18/51/08/823185108.db2.gz LQEVWFFLHHEPCM-UHFFFAOYSA-N 1 1 394.559 4.343 20 0 GIADMO CCCOc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1Cl ZINC000056638210 823186865 /nfs/dbraw/zinc/18/68/65/823186865.db2.gz CQOSMICGJVKBGD-UHFFFAOYSA-N 1 1 399.882 4.340 20 0 GIADMO C[N@@H+]1CC[C@H](N[C@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466602 823186957 /nfs/dbraw/zinc/18/69/57/823186957.db2.gz BUINKQLJNWEWIH-VXNXHJTFSA-N 1 1 387.527 4.015 20 0 GIADMO C[N@H+]1CC[C@H](N[C@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466602 823186961 /nfs/dbraw/zinc/18/69/61/823186961.db2.gz BUINKQLJNWEWIH-VXNXHJTFSA-N 1 1 387.527 4.015 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000188105326 823187311 /nfs/dbraw/zinc/18/73/11/823187311.db2.gz ZRNNOVFPZUBPSB-GOSISDBHSA-N 1 1 393.531 4.258 20 0 GIADMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(C(C)C)nc3sc(C)nn13)CCC2 ZINC000571469231 823187383 /nfs/dbraw/zinc/18/73/83/823187383.db2.gz JTLAJCHRBZRSKD-CQSZACIVSA-N 1 1 375.567 4.497 20 0 GIADMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c(C(C)C)nc3sc(C)nn13)CCC2 ZINC000571469231 823187387 /nfs/dbraw/zinc/18/73/87/823187387.db2.gz JTLAJCHRBZRSKD-CQSZACIVSA-N 1 1 375.567 4.497 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc(F)c(F)c(F)c3F)c2)C[C@H](C)O1 ZINC000121463927 823189329 /nfs/dbraw/zinc/18/93/29/823189329.db2.gz MANDWJNIFKGAHY-RYUDHWBXSA-N 1 1 396.384 4.105 20 0 GIADMO COc1cccc(C([NH2+]Cc2cnc(C3CC3)nc2)c2cccc(OC)c2)c1 ZINC000459424284 823189890 /nfs/dbraw/zinc/18/98/90/823189890.db2.gz KGUSYDLKKQDPAV-UHFFFAOYSA-N 1 1 375.472 4.250 20 0 GIADMO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2O1 ZINC000188127714 823190697 /nfs/dbraw/zinc/19/06/97/823190697.db2.gz NZYFVHFDAGENML-APWZRJJASA-N 1 1 399.535 4.455 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1N1CCO[C@H](C)C1)c1nc(-c2ccncc2)cs1 ZINC000459452343 823194918 /nfs/dbraw/zinc/19/49/18/823194918.db2.gz BNTJWBWOXHFHOO-IAGOWNOFSA-N 1 1 394.544 4.281 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000459462348 823197209 /nfs/dbraw/zinc/19/72/09/823197209.db2.gz LCPLIPCEBPNXJN-KRWDZBQOSA-N 1 1 377.517 4.378 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000188171091 823197524 /nfs/dbraw/zinc/19/75/24/823197524.db2.gz REIJRODXVVKIAN-BLIXFSHQSA-N 1 1 397.494 4.002 20 0 GIADMO CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000121535143 823201230 /nfs/dbraw/zinc/20/12/30/823201230.db2.gz ADVRDLCQKITDOY-PXNSSMCTSA-N 1 1 381.520 4.036 20 0 GIADMO Cc1ccnc(Oc2cc(NC(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)ccc2C)c1 ZINC000571552815 823199499 /nfs/dbraw/zinc/19/94/99/823199499.db2.gz GCYLILKOKZLMDJ-PKOBYXMFSA-N 1 1 380.492 4.049 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1)CC(F)(F)F ZINC000176403322 823200792 /nfs/dbraw/zinc/20/07/92/823200792.db2.gz TYYLYCLQITZNSZ-IBGZPJMESA-N 1 1 394.485 4.195 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2cc(Br)cs2)C1)CC(F)(F)F ZINC000176408203 823202033 /nfs/dbraw/zinc/20/20/33/823202033.db2.gz FKSIEZYNYKSWOR-LLVKDONJSA-N 1 1 385.293 4.217 20 0 GIADMO Cc1ncsc1CN1CC[N@H+](Cc2scnc2C)C[C@H]1c1ccccc1 ZINC000459505618 823206541 /nfs/dbraw/zinc/20/65/41/823206541.db2.gz HKFZLVRNVPQEHX-SFHVURJKSA-N 1 1 384.574 4.276 20 0 GIADMO Cc1ncsc1CN1CC[N@@H+](Cc2scnc2C)C[C@H]1c1ccccc1 ZINC000459505618 823206546 /nfs/dbraw/zinc/20/65/46/823206546.db2.gz HKFZLVRNVPQEHX-SFHVURJKSA-N 1 1 384.574 4.276 20 0 GIADMO COc1ccccc1[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000121564081 823206640 /nfs/dbraw/zinc/20/66/40/823206640.db2.gz HIKIMIUGVGRKHQ-QVNIBDNGSA-N 1 1 387.527 4.432 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)NCC[N@@H+]3CCc4sccc4C3)c2)oc1C ZINC000056739591 823204207 /nfs/dbraw/zinc/20/42/07/823204207.db2.gz FCSXUUVOQCNITG-UHFFFAOYSA-N 1 1 396.516 4.200 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)NCC[N@H+]3CCc4sccc4C3)c2)oc1C ZINC000056739591 823204213 /nfs/dbraw/zinc/20/42/13/823204213.db2.gz FCSXUUVOQCNITG-UHFFFAOYSA-N 1 1 396.516 4.200 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)[C@H]1c1ccccc1 ZINC000571607770 823207663 /nfs/dbraw/zinc/20/76/63/823207663.db2.gz UQZYEQDSHMORDT-DOTOQJQBSA-N 1 1 384.348 4.159 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000571609273 823208121 /nfs/dbraw/zinc/20/81/21/823208121.db2.gz PZYOYUQBOXHUBV-COPCDDAFSA-N 1 1 399.579 4.160 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000056762442 823208711 /nfs/dbraw/zinc/20/87/11/823208711.db2.gz GUVNMPROAFGNSW-QGZVFWFLSA-N 1 1 393.487 4.190 20 0 GIADMO O=C(Nc1cccc(-c2nccs2)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000056778367 823212292 /nfs/dbraw/zinc/21/22/92/823212292.db2.gz KYKJVCGJNNKFIC-IBGZPJMESA-N 1 1 378.501 4.206 20 0 GIADMO CCOc1c(Br)cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000188249013 823209095 /nfs/dbraw/zinc/20/90/95/823209095.db2.gz HJRZIBPTUSDJIR-KRWDZBQOSA-N 1 1 398.341 4.247 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(-c2nccs2)c1)[NH+](C)C ZINC000056778423 823212312 /nfs/dbraw/zinc/21/23/12/823212312.db2.gz YDSXUVZJZIGJRO-GOSISDBHSA-N 1 1 396.516 4.243 20 0 GIADMO CC[N@@H+](CCNC(=O)Nc1cc(Cl)cc2cccnc21)CCC(F)(F)F ZINC000571616563 823209811 /nfs/dbraw/zinc/20/98/11/823209811.db2.gz WBVYVNWNWCNGIQ-UHFFFAOYSA-N 1 1 388.821 4.284 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459519526 823209976 /nfs/dbraw/zinc/20/99/76/823209976.db2.gz KLJNQMJOSPQODS-UHFFFAOYSA-N 1 1 379.500 4.352 20 0 GIADMO Brc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc2c1OCCCO2 ZINC000188264086 823211143 /nfs/dbraw/zinc/21/11/43/823211143.db2.gz QLBLIOJYILTVNR-QGZVFWFLSA-N 1 1 396.325 4.001 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c(F)c1 ZINC000459526751 823211647 /nfs/dbraw/zinc/21/16/47/823211647.db2.gz PPTKRTABRJBVBO-KRWDZBQOSA-N 1 1 382.479 4.025 20 0 GIADMO c1ccc(-c2nnc(C[NH+]3CCC4(CC3)OCCc3ccccc34)s2)cc1 ZINC000459532554 823213224 /nfs/dbraw/zinc/21/32/24/823213224.db2.gz UIBVPJAPBTYQRS-UHFFFAOYSA-N 1 1 377.513 4.269 20 0 GIADMO C[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000188282597 823214172 /nfs/dbraw/zinc/21/41/72/823214172.db2.gz ZZROGDKBGSSCRM-KSSFIOAISA-N 1 1 377.423 4.082 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459538728 823215342 /nfs/dbraw/zinc/21/53/42/823215342.db2.gz DWOHOWICZOUYAQ-IYBDPMFKSA-N 1 1 387.553 4.085 20 0 GIADMO Cc1ccc([C@@H](OC[C@@H](O)C[N@@H+](C)CCc2ccccn2)c2ccccc2)cc1 ZINC000121625184 823218230 /nfs/dbraw/zinc/21/82/30/823218230.db2.gz HCQZYFSRISIMDG-DQEYMECFSA-N 1 1 390.527 4.031 20 0 GIADMO CC1CCC(OC2CC[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000571668172 823216641 /nfs/dbraw/zinc/21/66/41/823216641.db2.gz SLPLEJLGELIEAW-UHFFFAOYSA-N 1 1 396.478 4.286 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc(Cl)c1O ZINC000459544790 823216691 /nfs/dbraw/zinc/21/66/91/823216691.db2.gz KENNVGSRGSPTHS-WSTZPKSXSA-N 1 1 387.907 4.449 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc(Cl)c1O ZINC000459555784 823219666 /nfs/dbraw/zinc/21/96/66/823219666.db2.gz IPOCXVXSJRCOEW-QFIPXVFZSA-N 1 1 389.923 4.262 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559550 823220112 /nfs/dbraw/zinc/22/01/12/823220112.db2.gz KSBOIFDXIGPYCX-XCLFUZPHSA-N 1 1 391.512 4.459 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559550 823220114 /nfs/dbraw/zinc/22/01/14/823220114.db2.gz KSBOIFDXIGPYCX-XCLFUZPHSA-N 1 1 391.512 4.459 20 0 GIADMO COC(=O)C[C@](C)([NH2+]Cc1c(C)nsc1C)c1ccc(Br)cc1 ZINC000571697468 823220865 /nfs/dbraw/zinc/22/08/65/823220865.db2.gz HXPGWSNWGFINQV-KRWDZBQOSA-N 1 1 397.338 4.091 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCCOc1cccc(Cl)c1Cl)c1ccco1 ZINC000409452287 823221860 /nfs/dbraw/zinc/22/18/60/823221860.db2.gz HDBLAAPCCFJRAC-CQSZACIVSA-N 1 1 385.291 4.165 20 0 GIADMO O[C@@H]1CC[C@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]2C1 ZINC000459570621 823222551 /nfs/dbraw/zinc/22/25/51/823222551.db2.gz MPZXISQFDWKNLZ-BBTUJRGHSA-N 1 1 380.536 4.043 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000409454679 823222727 /nfs/dbraw/zinc/22/27/27/823222727.db2.gz SYDCFOGOAXNCLW-KXBFYZLASA-N 1 1 379.891 4.454 20 0 GIADMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000459600754 823227972 /nfs/dbraw/zinc/22/79/72/823227972.db2.gz UTQHRRQZOFEUTC-UHFFFAOYSA-N 1 1 376.504 4.331 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCCCCc2ccc(F)cc2)cc1 ZINC000188372545 823228118 /nfs/dbraw/zinc/22/81/18/823228118.db2.gz UHQSCCUXNJGSDC-UHFFFAOYSA-N 1 1 385.483 4.067 20 0 GIADMO CON1CCC([N@@H+](C)Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000459579994 823224612 /nfs/dbraw/zinc/22/46/12/823224612.db2.gz LBXOGWAVPUSLMB-UHFFFAOYSA-N 1 1 396.354 4.030 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(C)onc2-c2ccccc2)cc1F ZINC000409461019 823224703 /nfs/dbraw/zinc/22/47/03/823224703.db2.gz WXOOGCVNYVMHBD-UHFFFAOYSA-N 1 1 390.418 4.213 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409462214 823225155 /nfs/dbraw/zinc/22/51/55/823225155.db2.gz DMDMDGSJPXPHDU-VPWXQRGCSA-N 1 1 396.934 4.328 20 0 GIADMO COc1ccc(C[NH2+]Cc2ncccc2N(C)C)cc1OCc1ccccc1 ZINC000571726121 823226010 /nfs/dbraw/zinc/22/60/10/823226010.db2.gz XVGJZEWGMNMJJM-UHFFFAOYSA-N 1 1 377.488 4.025 20 0 GIADMO COC(=O)c1ccccc1CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000459598763 823227377 /nfs/dbraw/zinc/22/73/77/823227377.db2.gz WAHOFWLARKVVAF-GOSISDBHSA-N 1 1 389.293 4.010 20 0 GIADMO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000409477021 823229446 /nfs/dbraw/zinc/22/94/46/823229446.db2.gz VCHFLMCFVOJOQL-SMDDNHRTSA-N 1 1 387.332 4.486 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccn1-c1c(Cl)cccc1Cl ZINC000409478595 823230106 /nfs/dbraw/zinc/23/01/06/823230106.db2.gz GDBRHGMXMZXZHB-UONOGXRCSA-N 1 1 378.303 4.141 20 0 GIADMO COc1cc(C[NH2+]Cc2cn3ccsc3n2)ccc1OCc1ccc(F)cc1 ZINC000409479741 823230486 /nfs/dbraw/zinc/23/04/86/823230486.db2.gz YURAMUQMEXAJOE-UHFFFAOYSA-N 1 1 397.475 4.412 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409479361 823230509 /nfs/dbraw/zinc/23/05/09/823230509.db2.gz WJWMTZORHBCLSB-CABCVRRESA-N 1 1 395.828 4.207 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409479361 823230516 /nfs/dbraw/zinc/23/05/16/823230516.db2.gz WJWMTZORHBCLSB-CABCVRRESA-N 1 1 395.828 4.207 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000459621153 823231047 /nfs/dbraw/zinc/23/10/47/823231047.db2.gz JTJXWXPPBXXOPA-SDDRHHMPSA-N 1 1 386.496 4.468 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000459633107 823233389 /nfs/dbraw/zinc/23/33/89/823233389.db2.gz KLSOOPMGMLBCJE-MNOVXSKESA-N 1 1 383.439 4.328 20 0 GIADMO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1nc2c(s1)CCC2 ZINC000459634390 823234286 /nfs/dbraw/zinc/23/42/86/823234286.db2.gz MSRFZZBIKPKKFC-STQMWFEESA-N 1 1 377.941 4.155 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459639951 823235262 /nfs/dbraw/zinc/23/52/62/823235262.db2.gz LBLAINUMZHGEOH-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459639951 823235267 /nfs/dbraw/zinc/23/52/67/823235267.db2.gz LBLAINUMZHGEOH-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1)c1nc2c(s1)CCC2 ZINC000459640250 823235468 /nfs/dbraw/zinc/23/54/68/823235468.db2.gz PRWATKXWGJANBR-VLIAUNLRSA-N 1 1 397.569 4.250 20 0 GIADMO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459643854 823236736 /nfs/dbraw/zinc/23/67/36/823236736.db2.gz ONZZJUOQDCDKPM-YJBOKZPZSA-N 1 1 398.469 4.257 20 0 GIADMO CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459643854 823236740 /nfs/dbraw/zinc/23/67/40/823236740.db2.gz ONZZJUOQDCDKPM-YJBOKZPZSA-N 1 1 398.469 4.257 20 0 GIADMO Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459643874 823236766 /nfs/dbraw/zinc/23/67/66/823236766.db2.gz OSWOZAPVVSGIGQ-GOSISDBHSA-N 1 1 379.426 4.119 20 0 GIADMO Cn1nccc1-c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646457 823237780 /nfs/dbraw/zinc/23/77/80/823237780.db2.gz IHFZWMMNSFDJIS-IBGZPJMESA-N 1 1 393.453 4.268 20 0 GIADMO C[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000056992783 823238341 /nfs/dbraw/zinc/23/83/41/823238341.db2.gz CJUGIVLNQDWMQC-OAHLLOKOSA-N 1 1 383.458 4.111 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)C2(Cc3ccccc3F)CC2)[C@@H]1c1cccs1 ZINC000188448735 823242395 /nfs/dbraw/zinc/24/23/95/823242395.db2.gz FHJNUIKEXIRIBT-FXAWDEMLSA-N 1 1 386.536 4.409 20 0 GIADMO CC(C)(C)OC(=O)c1cnc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000571816797 823239110 /nfs/dbraw/zinc/23/91/10/823239110.db2.gz ODQKLHNTCNKXJU-LJQANCHMSA-N 1 1 396.535 4.146 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)CC12CCOCC2 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CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459672033 823247545 /nfs/dbraw/zinc/24/75/45/823247545.db2.gz WZNBLWCSSQJWMO-QGZVFWFLSA-N 1 1 398.469 4.177 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459672033 823247548 /nfs/dbraw/zinc/24/75/48/823247548.db2.gz WZNBLWCSSQJWMO-QGZVFWFLSA-N 1 1 398.469 4.177 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3)s2)CC12CCOCC2 ZINC000459664831 823245340 /nfs/dbraw/zinc/24/53/40/823245340.db2.gz QIRJQTRPDWZXGO-HNNXBMFYSA-N 1 1 397.466 4.386 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)CC12CCOCC2 ZINC000459664831 823245345 /nfs/dbraw/zinc/24/53/45/823245345.db2.gz QIRJQTRPDWZXGO-HNNXBMFYSA-N 1 1 397.466 4.386 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000188469665 823245502 /nfs/dbraw/zinc/24/55/02/823245502.db2.gz RQPZOZDXMGDIBD-HXUWFJFHSA-N 1 1 380.507 4.129 20 0 GIADMO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459666285 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ZXJNWPVUOKGODQ-DLBZAZTESA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674709 823248114 /nfs/dbraw/zinc/24/81/14/823248114.db2.gz ZXJNWPVUOKGODQ-DLBZAZTESA-N 1 1 398.469 4.311 20 0 GIADMO C[C@@H]1CCC[N@H+]1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121777795 823248589 /nfs/dbraw/zinc/24/85/89/823248589.db2.gz WHQCJEPXPXYYIF-OAHLLOKOSA-N 1 1 386.565 4.126 20 0 GIADMO c1csc(-c2ncc(C[N@H+]3CCC[C@H](c4nnc5ccccn54)C3)s2)c1 ZINC000121778557 823248996 /nfs/dbraw/zinc/24/89/96/823248996.db2.gz CWQUTBGHBJPOFI-AWEZNQCLSA-N 1 1 381.530 4.294 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H](CN[C@H](c1ncc[nH]1)c1ccc(F)cc1)C1CC1 ZINC000188489776 823249863 /nfs/dbraw/zinc/24/98/63/823249863.db2.gz LBDCEZMFQRFNEO-YADHBBJMSA-N 1 1 378.495 4.138 20 0 GIADMO CC[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1 ZINC000409567079 823250745 /nfs/dbraw/zinc/25/07/45/823250745.db2.gz ITZNZISSMWDHFD-UHFFFAOYSA-N 1 1 396.865 4.422 20 0 GIADMO CC[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1 ZINC000409567079 823250746 /nfs/dbraw/zinc/25/07/46/823250746.db2.gz ITZNZISSMWDHFD-UHFFFAOYSA-N 1 1 396.865 4.422 20 0 GIADMO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000176621171 823250869 /nfs/dbraw/zinc/25/08/69/823250869.db2.gz FGZCHNXSIPMGJG-KBRMVUAJSA-N 1 1 378.520 4.028 20 0 GIADMO CC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(Cl)cc1 ZINC000057128019 823251946 /nfs/dbraw/zinc/25/19/46/823251946.db2.gz HBKKSIZAIXQGRP-SFHVURJKSA-N 1 1 383.883 4.180 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2n[nH]c(C(C)(C)C)n2)o1 ZINC000459704102 823253888 /nfs/dbraw/zinc/25/38/88/823253888.db2.gz LZYKBISZWCFGCX-UHFFFAOYSA-N 1 1 390.491 4.146 20 0 GIADMO CCc1nc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cs1 ZINC000176652236 823257722 /nfs/dbraw/zinc/25/77/22/823257722.db2.gz DDPFUUGHUSJUJZ-IYOUNJFTSA-N 1 1 392.594 4.210 20 0 GIADMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000121803182 823254435 /nfs/dbraw/zinc/25/44/35/823254435.db2.gz AMZHWSIRKYRKQQ-UHFFFAOYSA-N 1 1 396.541 4.352 20 0 GIADMO CSc1cccc(F)c1C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000409583969 823254642 /nfs/dbraw/zinc/25/46/42/823254642.db2.gz HZSOOCLEFZDHBP-IBGZPJMESA-N 1 1 386.536 4.360 20 0 GIADMO C[C@H](CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000409584590 823254777 /nfs/dbraw/zinc/25/47/77/823254777.db2.gz LJDQWDVRMUNLJL-KGLIPLIRSA-N 1 1 396.478 4.433 20 0 GIADMO C[C@H](CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[N@H+]1CCc2sccc2C1 ZINC000409584590 823254782 /nfs/dbraw/zinc/25/47/82/823254782.db2.gz LJDQWDVRMUNLJL-KGLIPLIRSA-N 1 1 396.478 4.433 20 0 GIADMO Brc1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)co2)cc1 ZINC000459718765 823256159 /nfs/dbraw/zinc/25/61/59/823256159.db2.gz NDPZUGCJVOJARA-IRXDYDNUSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)co2)cc1 ZINC000459718765 823256165 /nfs/dbraw/zinc/25/61/65/823256165.db2.gz NDPZUGCJVOJARA-IRXDYDNUSA-N 1 1 389.293 4.105 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(N(C)C)c3ccccc3n2)C1 ZINC000571933710 823256767 /nfs/dbraw/zinc/25/67/67/823256767.db2.gz ZMEUAAXMNSPVLN-RTBURBONSA-N 1 1 394.563 4.027 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057169086 823258249 /nfs/dbraw/zinc/25/82/49/823258249.db2.gz OKFLXIRFDXZQAD-IBGZPJMESA-N 1 1 379.504 4.132 20 0 GIADMO CCc1nc([C@@H](C)NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000176654848 823258503 /nfs/dbraw/zinc/25/85/03/823258503.db2.gz LLFZDGVXWSDZIP-IAGOWNOFSA-N 1 1 386.565 4.073 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1SC ZINC000459733437 823258550 /nfs/dbraw/zinc/25/85/50/823258550.db2.gz URUJLPBAVYHRTC-QGZVFWFLSA-N 1 1 399.560 4.403 20 0 GIADMO CCc1nc([C@H](C)NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000176654862 823258609 /nfs/dbraw/zinc/25/86/09/823258609.db2.gz LLFZDGVXWSDZIP-SJORKVTESA-N 1 1 386.565 4.073 20 0 GIADMO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057172624 823258756 /nfs/dbraw/zinc/25/87/56/823258756.db2.gz QIHDCLWCCNUAFC-GOSISDBHSA-N 1 1 381.476 4.106 20 0 GIADMO CC(C)(C)OC1CC([N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000571954403 823259546 /nfs/dbraw/zinc/25/95/46/823259546.db2.gz CYQDLXSGFXODRJ-UHFFFAOYSA-N 1 1 379.932 4.226 20 0 GIADMO CCC[C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2C)CC[N@H+]1Cc1ccccc1 ZINC000188569846 823263175 /nfs/dbraw/zinc/26/31/75/823263175.db2.gz BXSHAVVOPVECHB-OAQYLSRUSA-N 1 1 393.531 4.080 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)nnn1-c1ccc(F)cc1 ZINC000121852793 823263270 /nfs/dbraw/zinc/26/32/70/823263270.db2.gz LQRSYJHBLUWNDF-CVEARBPZSA-N 1 1 390.466 4.312 20 0 GIADMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000459757667 823261286 /nfs/dbraw/zinc/26/12/86/823261286.db2.gz HOTIGSLLNNAOLA-IERDGZPVSA-N 1 1 397.519 4.051 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000409619773 823263433 /nfs/dbraw/zinc/26/34/33/823263433.db2.gz GTAPYJGFJUZBPT-NZSAHSFTSA-N 1 1 379.495 4.022 20 0 GIADMO C[NH+](C)[C@@H](C(=O)NCCSCc1ccccc1F)c1cccc(Cl)c1 ZINC000409617403 823262921 /nfs/dbraw/zinc/26/29/21/823262921.db2.gz LGWXKWSFGXTBOH-GOSISDBHSA-N 1 1 380.916 4.131 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459778766 823264149 /nfs/dbraw/zinc/26/41/49/823264149.db2.gz ZLLSEJVQBWDMEP-XZOQPEGZSA-N 1 1 396.531 4.042 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459816111 823266507 /nfs/dbraw/zinc/26/65/07/823266507.db2.gz VZAPMAAJAWTIBS-AWEZNQCLSA-N 1 1 376.522 4.228 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cs1 ZINC000459816111 823266512 /nfs/dbraw/zinc/26/65/12/823266512.db2.gz VZAPMAAJAWTIBS-AWEZNQCLSA-N 1 1 376.522 4.228 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000057221739 823266627 /nfs/dbraw/zinc/26/66/27/823266627.db2.gz KTNJHSUDTIULID-UHFFFAOYSA-N 1 1 384.439 4.407 20 0 GIADMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000003955955 817495996 /nfs/dbraw/zinc/49/59/96/817495996.db2.gz XAYWPIVMOZDOAH-INIZCTEOSA-N 1 1 394.359 4.282 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459826372 823266969 /nfs/dbraw/zinc/26/69/69/823266969.db2.gz MACLRGPXELZJHL-QWHCGFSZSA-N 1 1 379.501 4.315 20 0 GIADMO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459826372 823266972 /nfs/dbraw/zinc/26/69/72/823266972.db2.gz MACLRGPXELZJHL-QWHCGFSZSA-N 1 1 379.501 4.315 20 0 GIADMO CC[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1 ZINC000409631374 823267060 /nfs/dbraw/zinc/26/70/60/823267060.db2.gz NIKWNOUKBDVBSN-UHFFFAOYSA-N 1 1 396.865 4.122 20 0 GIADMO CC[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1 ZINC000409631374 823267063 /nfs/dbraw/zinc/26/70/63/823267063.db2.gz NIKWNOUKBDVBSN-UHFFFAOYSA-N 1 1 396.865 4.122 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1nc(CCc2ccccc2)no1)c1ccco1 ZINC000121873538 823267458 /nfs/dbraw/zinc/26/74/58/823267458.db2.gz BFFQZDGVMMPCFP-UXHICEINSA-N 1 1 395.503 4.316 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1nc(CCc2ccccc2)no1)c1ccco1 ZINC000121873538 823267462 /nfs/dbraw/zinc/26/74/62/823267462.db2.gz BFFQZDGVMMPCFP-UXHICEINSA-N 1 1 395.503 4.316 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCCC(F)(F)C2)CC1 ZINC000409633789 823267899 /nfs/dbraw/zinc/26/78/99/823267899.db2.gz YKGMXYDCLNDJDV-FQEVSTJZSA-N 1 1 393.522 4.366 20 0 GIADMO CC(C)c1csc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000121887906 823270650 /nfs/dbraw/zinc/27/06/50/823270650.db2.gz RJRJEGQCZNZGEZ-QGZVFWFLSA-N 1 1 392.613 4.453 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000121890521 823271233 /nfs/dbraw/zinc/27/12/33/823271233.db2.gz SNTBTTJDAVBUJM-GOTSBHOMSA-N 1 1 378.516 4.006 20 0 GIADMO Fc1ccc(Cc2nnc(N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)s2)cc1 ZINC000409645053 823272122 /nfs/dbraw/zinc/27/21/22/823272122.db2.gz MWMLNOQIXVQQMO-MRXNPFEDSA-N 1 1 397.523 4.185 20 0 GIADMO Fc1ccc(Cc2nnc(N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)s2)cc1 ZINC000409645052 823272194 /nfs/dbraw/zinc/27/21/94/823272194.db2.gz MWMLNOQIXVQQMO-INIZCTEOSA-N 1 1 397.523 4.185 20 0 GIADMO Clc1cnc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Br)c1 ZINC000409646078 823272458 /nfs/dbraw/zinc/27/24/58/823272458.db2.gz PZKCDBBJUGWPMY-LBPRGKRZSA-N 1 1 395.732 4.414 20 0 GIADMO CC(C)(C)n1nc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1C1CC1 ZINC000460020483 823279918 /nfs/dbraw/zinc/27/99/18/823279918.db2.gz ISPUOFBIVWTGFV-SFHVURJKSA-N 1 1 378.520 4.140 20 0 GIADMO CCN(C[C@@H]1CCOC1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057286150 823275957 /nfs/dbraw/zinc/27/59/57/823275957.db2.gz CRJPKCURDAZXKQ-IBGZPJMESA-N 1 1 387.568 4.019 20 0 GIADMO C[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066085 823276911 /nfs/dbraw/zinc/27/69/11/823276911.db2.gz CLZZMYODQKPDFA-QRWLVFNGSA-N 1 1 388.353 4.405 20 0 GIADMO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(Br)cn1 ZINC000572066085 823276912 /nfs/dbraw/zinc/27/69/12/823276912.db2.gz CLZZMYODQKPDFA-QRWLVFNGSA-N 1 1 388.353 4.405 20 0 GIADMO CC(C)[C@@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000572068626 823277277 /nfs/dbraw/zinc/27/72/77/823277277.db2.gz IHQYMACJEJPWJH-HXUWFJFHSA-N 1 1 397.523 4.017 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2scnc2C(C)(C)C)CC1 ZINC000176735440 823281042 /nfs/dbraw/zinc/28/10/42/823281042.db2.gz DZULQJMZZPLUPJ-UHFFFAOYSA-N 1 1 385.577 4.425 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(OC(C)(C)C)cc3)c2C1 ZINC000121940067 823281369 /nfs/dbraw/zinc/28/13/69/823281369.db2.gz NICPLSZQNFIBAO-UHFFFAOYSA-N 1 1 395.503 4.167 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc(OC(C)(C)C)cc3)c2C1 ZINC000121940067 823281373 /nfs/dbraw/zinc/28/13/73/823281373.db2.gz NICPLSZQNFIBAO-UHFFFAOYSA-N 1 1 395.503 4.167 20 0 GIADMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409684706 823282469 /nfs/dbraw/zinc/28/24/69/823282469.db2.gz JBRITNLIMZIKOK-QGZVFWFLSA-N 1 1 384.568 4.148 20 0 GIADMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000006649497 817715624 /nfs/dbraw/zinc/71/56/24/817715624.db2.gz QUAQQISCKYIKKL-CQSZACIVSA-N 1 1 376.884 4.206 20 0 GIADMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000006649497 817715628 /nfs/dbraw/zinc/71/56/28/817715628.db2.gz QUAQQISCKYIKKL-CQSZACIVSA-N 1 1 376.884 4.206 20 0 GIADMO Cc1ccc(OCc2ccccc2)c(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000572101087 823283566 /nfs/dbraw/zinc/28/35/66/823283566.db2.gz AOUMXDBHSOHKNG-FQEVSTJZSA-N 1 1 381.520 4.426 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)Cc3ccc(C)cc3)ccc2c1 ZINC000006995761 817737261 /nfs/dbraw/zinc/73/72/61/817737261.db2.gz OXCRCMXYUUTRSF-UHFFFAOYSA-N 1 1 376.500 4.247 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)Cc3ccc(C)cc3)ccc2c1 ZINC000006995761 817737265 /nfs/dbraw/zinc/73/72/65/817737265.db2.gz OXCRCMXYUUTRSF-UHFFFAOYSA-N 1 1 376.500 4.247 20 0 GIADMO C[NH+](C)[C@H](C(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000572131655 823287948 /nfs/dbraw/zinc/28/79/48/823287948.db2.gz JZAMLWHAIDUXES-FQEVSTJZSA-N 1 1 399.922 4.208 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1COCc2ccccc21 ZINC000572133232 823288198 /nfs/dbraw/zinc/28/81/98/823288198.db2.gz HDLZSYLELALBGK-WZONZLPQSA-N 1 1 393.531 4.132 20 0 GIADMO C[C@@H]1CCC[C@H]1NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000409711194 823288243 /nfs/dbraw/zinc/28/82/43/823288243.db2.gz ODTYMMXULIAOOP-RDTXWAMCSA-N 1 1 383.458 4.158 20 0 GIADMO CSc1ccc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000460121297 823288457 /nfs/dbraw/zinc/28/84/57/823288457.db2.gz OCFWHOWPDPUPRG-RTWAWAEBSA-N 1 1 395.572 4.072 20 0 GIADMO CCCOc1cccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000409712193 823288511 /nfs/dbraw/zinc/28/85/11/823288511.db2.gz RYEDGVKPNBOQDG-GOSISDBHSA-N 1 1 397.519 4.018 20 0 GIADMO CCCOc1cccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000409712193 823288518 /nfs/dbraw/zinc/28/85/18/823288518.db2.gz RYEDGVKPNBOQDG-GOSISDBHSA-N 1 1 397.519 4.018 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)c1ccc2oc(=O)[nH]c2c1)C1CCCCC1 ZINC000572141642 823289225 /nfs/dbraw/zinc/28/92/25/823289225.db2.gz SOCFRNIXVBYVLO-UHFFFAOYSA-N 1 1 393.487 4.228 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000572146814 823290261 /nfs/dbraw/zinc/29/02/61/823290261.db2.gz FSVZILULSGWWJJ-XZOQPEGZSA-N 1 1 391.515 4.452 20 0 GIADMO CC[N@@H+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1OC ZINC000007361066 817823719 /nfs/dbraw/zinc/82/37/19/817823719.db2.gz DCBDEICPCCTDSS-UHFFFAOYSA-N 1 1 376.884 4.078 20 0 GIADMO CCN(C(=O)N[C@H](C1CC1)C(F)(F)F)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000572159946 823292096 /nfs/dbraw/zinc/29/20/96/823292096.db2.gz KEWGYKSUHMINER-FHLIZLRMSA-N 1 1 383.458 4.194 20 0 GIADMO CCC(CC)N(CC)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000460134790 823292201 /nfs/dbraw/zinc/29/22/01/823292201.db2.gz LFETUBHAIWJHMY-ROUUACIJSA-N 1 1 375.557 4.016 20 0 GIADMO O=C(NCc1ccc(Cl)s1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460135744 823292528 /nfs/dbraw/zinc/29/25/28/823292528.db2.gz SMWQLUSCBZSQPN-IAGOWNOFSA-N 1 1 389.952 4.065 20 0 GIADMO FC1(F)CC[N@@H+](Cc2ccccc2)C[C@H]1c1nc(C2CCSCC2)no1 ZINC000572164330 823292869 /nfs/dbraw/zinc/29/28/69/823292869.db2.gz AJEAUXJHMZEIFM-INIZCTEOSA-N 1 1 379.476 4.305 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCSc1ccc(F)cc1 ZINC000007459651 817847473 /nfs/dbraw/zinc/84/74/73/817847473.db2.gz VWBZSIMKLPRDJM-UHFFFAOYSA-N 1 1 382.888 4.150 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCSc1ccc(F)cc1 ZINC000007459651 817847487 /nfs/dbraw/zinc/84/74/87/817847487.db2.gz VWBZSIMKLPRDJM-UHFFFAOYSA-N 1 1 382.888 4.150 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@H](C)c3cc4ccccc4o3)CC2)[nH+]c1 ZINC000176793652 823294226 /nfs/dbraw/zinc/29/42/26/823294226.db2.gz XZOWJGCLOUHNSO-MRXNPFEDSA-N 1 1 378.476 4.165 20 0 GIADMO CC[N@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)Cc1cccs1 ZINC000007661625 817890556 /nfs/dbraw/zinc/89/05/56/817890556.db2.gz VTRPXEVFLKXSHK-UHFFFAOYSA-N 1 1 382.529 4.390 20 0 GIADMO CC[N@@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)Cc1cccs1 ZINC000007661625 817890565 /nfs/dbraw/zinc/89/05/65/817890565.db2.gz VTRPXEVFLKXSHK-UHFFFAOYSA-N 1 1 382.529 4.390 20 0 GIADMO O=c1c2c(-c3ccccc3)csc2ncn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000007675831 817892468 /nfs/dbraw/zinc/89/24/68/817892468.db2.gz UFMIIFRXQUXJKQ-UHFFFAOYSA-N 1 1 392.871 4.474 20 0 GIADMO O=C1c2ccccc2C(=O)N1CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000007688110 817895397 /nfs/dbraw/zinc/89/53/97/817895397.db2.gz UKOCQOSTQKTJKI-UHFFFAOYSA-N 1 1 382.510 4.108 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(OC[C@@H]4CCCO4)CC3)o2)cc1C ZINC000122062207 823300545 /nfs/dbraw/zinc/30/05/45/823300545.db2.gz ZUJAIWUOWUZLRB-XLIONFOSSA-N 1 1 385.508 4.074 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1cccc(Br)c1)c1ccccc1Cl ZINC000007797924 817918410 /nfs/dbraw/zinc/91/84/10/817918410.db2.gz NULFBQDLLUZRNT-MRXNPFEDSA-N 1 1 381.701 4.135 20 0 GIADMO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1CCC(C)C ZINC000122066898 823301489 /nfs/dbraw/zinc/30/14/89/823301489.db2.gz OCZVQELQVNCVGB-KNQAVFIVSA-N 1 1 396.579 4.363 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000572212061 823301623 /nfs/dbraw/zinc/30/16/23/823301623.db2.gz RNCDLAFNDCSCNY-GXFFZTMASA-N 1 1 385.257 4.052 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000572212061 823301629 /nfs/dbraw/zinc/30/16/29/823301629.db2.gz RNCDLAFNDCSCNY-GXFFZTMASA-N 1 1 385.257 4.052 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000176820281 823301674 /nfs/dbraw/zinc/30/16/74/823301674.db2.gz VCOBJTLJNSXBTG-HNNXBMFYSA-N 1 1 379.595 4.361 20 0 GIADMO C[NH+](C)C[C@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 ZINC000572200905 823298683 /nfs/dbraw/zinc/29/86/83/823298683.db2.gz KUKICFGPZFWFIW-QHCPKHFHSA-N 1 1 379.479 4.192 20 0 GIADMO Cc1cccnc1[C@@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000176813598 823299693 /nfs/dbraw/zinc/29/96/93/823299693.db2.gz ODYWJOYNLIOJPY-UNMCSNQZSA-N 1 1 394.563 4.393 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000007995830 817977720 /nfs/dbraw/zinc/97/77/20/817977720.db2.gz JJFPYOCYGWWAQJ-DLBZAZTESA-N 1 1 381.520 4.019 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000007995830 817977726 /nfs/dbraw/zinc/97/77/26/817977726.db2.gz JJFPYOCYGWWAQJ-DLBZAZTESA-N 1 1 381.520 4.019 20 0 GIADMO CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460167969 823303969 /nfs/dbraw/zinc/30/39/69/823303969.db2.gz ITDUAKIKEYUOMQ-YOEHRIQHSA-N 1 1 395.473 4.293 20 0 GIADMO Cc1cccc(C)c1NC(=O)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000008153589 818008207 /nfs/dbraw/zinc/00/82/07/818008207.db2.gz GYOLXOQENAKWCL-UHFFFAOYSA-N 1 1 391.309 4.015 20 0 GIADMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000008153589 818008211 /nfs/dbraw/zinc/00/82/11/818008211.db2.gz GYOLXOQENAKWCL-UHFFFAOYSA-N 1 1 391.309 4.015 20 0 GIADMO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000008248961 818022859 /nfs/dbraw/zinc/02/28/59/818022859.db2.gz WEDIXMXFAKYRPW-LLVKDONJSA-N 1 1 385.266 4.108 20 0 GIADMO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460177348 823306582 /nfs/dbraw/zinc/30/65/82/823306582.db2.gz LMRHMZWCRAQGFG-AVRDEDQJSA-N 1 1 391.563 4.351 20 0 GIADMO C[C@H](CCNC(=O)C(C)(C)Cc1nc2ccccc2[nH]1)[N@@H+](C)Cc1ccccc1 ZINC000409787061 823307171 /nfs/dbraw/zinc/30/71/71/823307171.db2.gz UGFHTAKIMFFNOF-GOSISDBHSA-N 1 1 392.547 4.158 20 0 GIADMO Clc1ccccc1-c1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)no1 ZINC000572264748 823309522 /nfs/dbraw/zinc/30/95/22/823309522.db2.gz SNOXKJBIMQHSKO-UHFFFAOYSA-N 1 1 397.910 4.302 20 0 GIADMO COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H](C)c2ccncc2F)cn1 ZINC000572262716 823309608 /nfs/dbraw/zinc/30/96/08/823309608.db2.gz KYDULDYLPKKTQQ-CQSZACIVSA-N 1 1 383.423 4.276 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCCC23CCOCC3)c1 ZINC000409798287 823310131 /nfs/dbraw/zinc/31/01/31/823310131.db2.gz TZACCTIDVBQAKE-QHCPKHFHSA-N 1 1 392.543 4.398 20 0 GIADMO C[N@H+](CCOc1ccccc1F)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000011477095 818085435 /nfs/dbraw/zinc/08/54/35/818085435.db2.gz WQQJRRWGCPECSD-JOCHJYFZSA-N 1 1 398.503 4.104 20 0 GIADMO C[N@@H+](CCOc1ccccc1F)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000011477095 818085440 /nfs/dbraw/zinc/08/54/40/818085440.db2.gz WQQJRRWGCPECSD-JOCHJYFZSA-N 1 1 398.503 4.104 20 0 GIADMO CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460193621 823311907 /nfs/dbraw/zinc/31/19/07/823311907.db2.gz VMXPLBKZJGEYSH-RLLQIKCJSA-N 1 1 399.583 4.221 20 0 GIADMO CCN(c1nnc(-c2ccccn2)n1CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460194265 823312294 /nfs/dbraw/zinc/31/22/94/823312294.db2.gz BGJNQWWAGVAQHD-ICSRJNTNSA-N 1 1 390.535 4.022 20 0 GIADMO COc1cccc(C([NH2+]CC(=O)N(C)c2ccccc2)c2cccc(OC)c2)c1 ZINC000176865894 823312840 /nfs/dbraw/zinc/31/28/40/823312840.db2.gz LKUKZVACVPOGBB-UHFFFAOYSA-N 1 1 390.483 4.046 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000057592460 823312916 /nfs/dbraw/zinc/31/29/16/823312916.db2.gz MDRUZAJRRANMNX-GOSISDBHSA-N 1 1 383.536 4.486 20 0 GIADMO O=C([C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011763950 818118193 /nfs/dbraw/zinc/11/81/93/818118193.db2.gz GHFFRMNEWNWZLR-PMACEKPBSA-N 1 1 388.433 4.153 20 0 GIADMO O=C(CCCC1CCOCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000409817812 823315829 /nfs/dbraw/zinc/31/58/29/823315829.db2.gz AYJYLOHJXBPVPX-GOTSBHOMSA-N 1 1 384.564 4.096 20 0 GIADMO CC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1c(C)noc1C ZINC000122176753 823317042 /nfs/dbraw/zinc/31/70/42/823317042.db2.gz CUMMJIXAEXYYDU-KKSFZXQISA-N 1 1 398.551 4.474 20 0 GIADMO Cc1ccc2cc(C(=O)NCc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000057643848 823317577 /nfs/dbraw/zinc/31/75/77/823317577.db2.gz VQXGEQIXWMVFIK-QZTJIDSGSA-N 1 1 391.515 4.016 20 0 GIADMO CSCc1ccc(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000057643829 823317693 /nfs/dbraw/zinc/31/76/93/823317693.db2.gz YLNPDEWTNTVWKV-HDICACEKSA-N 1 1 398.572 4.089 20 0 GIADMO CSCc1ccc(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000057643829 823317700 /nfs/dbraw/zinc/31/77/00/823317700.db2.gz YLNPDEWTNTVWKV-HDICACEKSA-N 1 1 398.572 4.089 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000012807489 818182666 /nfs/dbraw/zinc/18/26/66/818182666.db2.gz DXWIWENOBRQHOL-JOCHJYFZSA-N 1 1 377.484 4.234 20 0 GIADMO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 ZINC000122182006 823318140 /nfs/dbraw/zinc/31/81/40/823318140.db2.gz QNOOYTLPUGJAJF-PELKAZGASA-N 1 1 395.244 4.146 20 0 GIADMO CSc1ccsc1C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000409828292 823318608 /nfs/dbraw/zinc/31/86/08/823318608.db2.gz XFHZLFWRRSRLMY-GASCZTMLSA-N 1 1 390.574 4.009 20 0 GIADMO CSc1ccsc1C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000409828292 823318617 /nfs/dbraw/zinc/31/86/17/823318617.db2.gz XFHZLFWRRSRLMY-GASCZTMLSA-N 1 1 390.574 4.009 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCc2nc(C3CCCC3)no2)cc1 ZINC000122194603 823319924 /nfs/dbraw/zinc/31/99/24/823319924.db2.gz CDCNODNKHNYNEH-HNNXBMFYSA-N 1 1 393.491 4.031 20 0 GIADMO CCOC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C(C)C ZINC000188867997 823320132 /nfs/dbraw/zinc/32/01/32/823320132.db2.gz GDSQFBFRSBGVEO-GOSISDBHSA-N 1 1 379.501 4.118 20 0 GIADMO COc1ccc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)cc1Br ZINC000057681781 823321151 /nfs/dbraw/zinc/32/11/51/823321151.db2.gz MAISIGQLSXVIPB-LJQANCHMSA-N 1 1 389.337 4.384 20 0 GIADMO C[N@H+](Cc1c(-c2ccccc2)nc2sccn12)C[C@H]1COc2ccccc2O1 ZINC000014214519 818228779 /nfs/dbraw/zinc/22/87/79/818228779.db2.gz SSKZJGGEPFUHRP-KRWDZBQOSA-N 1 1 391.496 4.335 20 0 GIADMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCCC1CCOCC1 ZINC000409841594 823322447 /nfs/dbraw/zinc/32/24/47/823322447.db2.gz WWUKARNPTDSJGV-QFIPXVFZSA-N 1 1 386.580 4.173 20 0 GIADMO CS[C@H](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000122217691 823323073 /nfs/dbraw/zinc/32/30/73/823323073.db2.gz NJCMLLFLVSUJGL-QIIPPGSGSA-N 1 1 388.499 4.346 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(SC(=O)N(C)C)c1 ZINC000176914766 823323322 /nfs/dbraw/zinc/32/33/22/823323322.db2.gz OLCVTASPPDNCRO-UHFFFAOYSA-N 1 1 399.560 4.184 20 0 GIADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000572340824 823324402 /nfs/dbraw/zinc/32/44/02/823324402.db2.gz RIUKRDBCUWEUDX-DOPJRALCSA-N 1 1 375.900 4.324 20 0 GIADMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000014929078 818277564 /nfs/dbraw/zinc/27/75/64/818277564.db2.gz MZBXYNVKPIWBLA-CYBMUJFWSA-N 1 1 382.838 4.078 20 0 GIADMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000014929078 818277571 /nfs/dbraw/zinc/27/75/71/818277571.db2.gz MZBXYNVKPIWBLA-CYBMUJFWSA-N 1 1 382.838 4.078 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000014929118 818277815 /nfs/dbraw/zinc/27/78/15/818277815.db2.gz XLQWTYZESUPUTN-CQSZACIVSA-N 1 1 378.419 4.064 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000014929118 818277822 /nfs/dbraw/zinc/27/78/22/818277822.db2.gz XLQWTYZESUPUTN-CQSZACIVSA-N 1 1 378.419 4.064 20 0 GIADMO CC[C@H](C)c1ccc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000015038207 818286039 /nfs/dbraw/zinc/28/60/39/818286039.db2.gz BZRBMXCPAZOVJZ-IBGZPJMESA-N 1 1 395.547 4.107 20 0 GIADMO CC[C@H](C)c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000015038207 818286047 /nfs/dbraw/zinc/28/60/47/818286047.db2.gz BZRBMXCPAZOVJZ-IBGZPJMESA-N 1 1 395.547 4.107 20 0 GIADMO CCCc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)sc1C ZINC000409850363 823325986 /nfs/dbraw/zinc/32/59/86/823325986.db2.gz UAXABBAAGPSHEV-INIZCTEOSA-N 1 1 386.561 4.160 20 0 GIADMO CCCc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)sc1C ZINC000409850363 823325991 /nfs/dbraw/zinc/32/59/91/823325991.db2.gz UAXABBAAGPSHEV-INIZCTEOSA-N 1 1 386.561 4.160 20 0 GIADMO Cc1c(F)cccc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000572356833 823326800 /nfs/dbraw/zinc/32/68/00/823326800.db2.gz XWOYTDJOOYNROM-SEJPIABJSA-N 1 1 395.522 4.248 20 0 GIADMO CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460237755 823327071 /nfs/dbraw/zinc/32/70/71/823327071.db2.gz AZXFXPZHKMPJKN-UKRRQHHQSA-N 1 1 379.911 4.067 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000122248257 823327577 /nfs/dbraw/zinc/32/75/77/823327577.db2.gz LETMSPATIJRPCE-LJQANCHMSA-N 1 1 382.533 4.269 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(c2ccccc2)C(C)C)c(OC)c1 ZINC000015366816 818317988 /nfs/dbraw/zinc/31/79/88/818317988.db2.gz KOCXPYIHGFGJPQ-OAQYLSRUSA-N 1 1 382.504 4.282 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(c2ccccc2)C(C)C)c(OC)c1 ZINC000015366816 818317993 /nfs/dbraw/zinc/31/79/93/818317993.db2.gz KOCXPYIHGFGJPQ-OAQYLSRUSA-N 1 1 382.504 4.282 20 0 GIADMO CC[C@H](C)[N@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000057753513 823328637 /nfs/dbraw/zinc/32/86/37/823328637.db2.gz YBTRGEBICOXVIT-HNNXBMFYSA-N 1 1 387.434 4.064 20 0 GIADMO CC[C@H](C)[N@@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000057753513 823328644 /nfs/dbraw/zinc/32/86/44/823328644.db2.gz YBTRGEBICOXVIT-HNNXBMFYSA-N 1 1 387.434 4.064 20 0 GIADMO CN(C)C(=O)Cc1nc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)cs1 ZINC000122258932 823328898 /nfs/dbraw/zinc/32/88/98/823328898.db2.gz FSRCVTYWOGNSKJ-DRUFCSCSSA-N 1 1 383.561 4.232 20 0 GIADMO CN(C)C(=O)Cc1nc(C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)cs1 ZINC000122258932 823328903 /nfs/dbraw/zinc/32/89/03/823328903.db2.gz FSRCVTYWOGNSKJ-DRUFCSCSSA-N 1 1 383.561 4.232 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C(=O)N1CC(=O)Nc2ccccc21 ZINC000015489095 818328303 /nfs/dbraw/zinc/32/83/03/818328303.db2.gz LBCLINCUWUWPDW-NWDGAFQWSA-N 1 1 392.286 4.018 20 0 GIADMO Cc1occc1C(=O)Nc1cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1F ZINC000122262196 823329410 /nfs/dbraw/zinc/32/94/10/823329410.db2.gz HMFVNWBEJXJJCH-HZSPNIEDSA-N 1 1 387.455 4.179 20 0 GIADMO C[NH+](C)Cc1ccnc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 ZINC000176942027 823330340 /nfs/dbraw/zinc/33/03/40/823330340.db2.gz YXHBXCKKFAYFDK-UHFFFAOYSA-N 1 1 393.874 4.280 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)o1 ZINC000409872638 823332251 /nfs/dbraw/zinc/33/22/51/823332251.db2.gz BMTPXSRFUBDRPL-RCOXNQKVSA-N 1 1 392.543 4.460 20 0 GIADMO Cc1cccc2nc(C3CC[NH+](CN4C(=O)C[C@@H]4c4ccccc4)CC3)oc21 ZINC000188956023 823333730 /nfs/dbraw/zinc/33/37/30/823333730.db2.gz TXIFBZTVJVWUGX-HXUWFJFHSA-N 1 1 375.472 4.247 20 0 GIADMO CC[C@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1nc(C)cs1 ZINC000460264200 823334527 /nfs/dbraw/zinc/33/45/27/823334527.db2.gz GZTDSUIEHMXDOD-AABGKKOBSA-N 1 1 398.576 4.066 20 0 GIADMO CC[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000122300477 823334495 /nfs/dbraw/zinc/33/44/95/823334495.db2.gz 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COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000016374018 818429854 /nfs/dbraw/zinc/42/98/54/818429854.db2.gz HRSBUXSMZNNIPS-INIZCTEOSA-N 1 1 384.520 4.460 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000016374018 818429857 /nfs/dbraw/zinc/42/98/57/818429857.db2.gz HRSBUXSMZNNIPS-INIZCTEOSA-N 1 1 384.520 4.460 20 0 GIADMO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000016375927 818430866 /nfs/dbraw/zinc/43/08/66/818430866.db2.gz AIZKRPCBMRRUND-DEOSSOPVSA-N 1 1 396.531 4.102 20 0 GIADMO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000016375927 818430871 /nfs/dbraw/zinc/43/08/71/818430871.db2.gz AIZKRPCBMRRUND-DEOSSOPVSA-N 1 1 396.531 4.102 20 0 GIADMO COc1ccccc1Cc1nnc(S[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000572426618 823337138 /nfs/dbraw/zinc/33/71/38/823337138.db2.gz IYWNLQLPODQINE-SFHVURJKSA-N 1 1 381.501 4.036 20 0 GIADMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000122319280 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QGFHZAHBIIWLSO-HNNXBMFYSA-N 1 1 378.875 4.434 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2F)c(Cl)c1 ZINC000027699183 820277249 /nfs/dbraw/zinc/27/72/49/820277249.db2.gz QGFHZAHBIIWLSO-HNNXBMFYSA-N 1 1 378.875 4.434 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000189649900 823467361 /nfs/dbraw/zinc/46/73/61/823467361.db2.gz XHUOVJISVHTXNS-UHFFFAOYSA-N 1 1 380.517 4.154 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000573222226 823467489 /nfs/dbraw/zinc/46/74/89/823467489.db2.gz PAALBZXBPCSHGK-VWLOTQADSA-N 1 1 399.494 4.231 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000573222226 823467490 /nfs/dbraw/zinc/46/74/90/823467490.db2.gz PAALBZXBPCSHGK-VWLOTQADSA-N 1 1 399.494 4.231 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000460655247 823468173 /nfs/dbraw/zinc/46/81/73/823468173.db2.gz LESHAWYNTIAUMD-JOCHJYFZSA-N 1 1 397.563 4.038 20 0 GIADMO CO[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccccc1 ZINC000410346685 823469150 /nfs/dbraw/zinc/46/91/50/823469150.db2.gz KECXZKOGLYWYIM-XXBNENTESA-N 1 1 395.547 4.248 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000028173432 820315104 /nfs/dbraw/zinc/31/51/04/820315104.db2.gz NGBVSDALBNAEKW-NHCUHLMSSA-N 1 1 394.515 4.204 20 0 GIADMO CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1ccc(OC)c(OC)c1 ZINC000028247688 820320372 /nfs/dbraw/zinc/32/03/72/820320372.db2.gz JSNMDIANUPZMCG-XMMPIXPASA-N 1 1 396.531 4.102 20 0 GIADMO CC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1ccc(OC)c(OC)c1 ZINC000028247688 820320382 /nfs/dbraw/zinc/32/03/82/820320382.db2.gz JSNMDIANUPZMCG-XMMPIXPASA-N 1 1 396.531 4.102 20 0 GIADMO CC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1nccs1 ZINC000123144941 823469638 /nfs/dbraw/zinc/46/96/38/823469638.db2.gz JPGHQRLILMCPES-LPHOPBHVSA-N 1 1 386.565 4.326 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000028281375 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375.513 4.036 20 0 GIADMO CCOc1ccc(-c2noc(C[NH+]3CCC(OCC4CCCC4)CC3)n2)cc1 ZINC000177482924 823472739 /nfs/dbraw/zinc/47/27/39/823472739.db2.gz WSKQZFSSOMFBBF-UHFFFAOYSA-N 1 1 385.508 4.307 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2C)C2CC2)cc1 ZINC000028720683 820353656 /nfs/dbraw/zinc/35/36/56/820353656.db2.gz UTSKVTDMDQYXJG-UHFFFAOYSA-N 1 1 393.531 4.207 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2C)C2CC2)cc1 ZINC000028720683 820353664 /nfs/dbraw/zinc/35/36/64/820353664.db2.gz UTSKVTDMDQYXJG-UHFFFAOYSA-N 1 1 393.531 4.207 20 0 GIADMO COc1ccc(-c2csc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)c2)cc1 ZINC000177484135 823472998 /nfs/dbraw/zinc/47/29/98/823472998.db2.gz IWOGJZXXBVCYJW-NRFANRHFSA-N 1 1 380.513 4.343 20 0 GIADMO Cc1cc(NC(=O)C2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)no1 ZINC000028740511 820354929 /nfs/dbraw/zinc/35/49/29/820354929.db2.gz RBDUUUCHMMNRSR-UHFFFAOYSA-N 1 1 388.518 4.019 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000028898205 820369185 /nfs/dbraw/zinc/36/91/85/820369185.db2.gz OWRHNBKKSMFISD-UONOGXRCSA-N 1 1 376.884 4.343 20 0 GIADMO COc1ccc(OCC[N@@H+](C)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000028897255 820369293 /nfs/dbraw/zinc/36/92/93/820369293.db2.gz KSILROZBSWEEIZ-UHFFFAOYSA-N 1 1 378.472 4.188 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000028899440 820370019 /nfs/dbraw/zinc/37/00/19/820370019.db2.gz XHQRJFRVYJHACZ-SFHVURJKSA-N 1 1 383.511 4.237 20 0 GIADMO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)c(OC)cc1Cl ZINC000028965104 820377997 /nfs/dbraw/zinc/37/79/97/820377997.db2.gz LWYHVODNYSJKBS-LLVKDONJSA-N 1 1 383.275 4.300 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000123180699 823474842 /nfs/dbraw/zinc/47/48/42/823474842.db2.gz XPGKABRHYQIDSM-DYESRHJHSA-N 1 1 389.503 4.138 20 0 GIADMO O=C(Cn1c[nH+]c2c1CCCC2)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000573295072 823477454 /nfs/dbraw/zinc/47/74/54/823477454.db2.gz UCZRNNMDXLXUMZ-QGZVFWFLSA-N 1 1 396.541 4.263 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1csc(Br)c1)c1ccccc1Cl ZINC000029051911 820387639 /nfs/dbraw/zinc/38/76/39/820387639.db2.gz ZFUUWNFZVWFSKC-CYBMUJFWSA-N 1 1 387.730 4.197 20 0 GIADMO CC(C)C[C@H](CNC(=O)c1ccccc1Sc1ccccc1)[NH+]1CCOCC1 ZINC000460676758 823475479 /nfs/dbraw/zinc/47/54/79/823475479.db2.gz LXWFRZGAXUDNSE-LJQANCHMSA-N 1 1 398.572 4.315 20 0 GIADMO COc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c(OC)cc1Cl ZINC000029152616 820400872 /nfs/dbraw/zinc/40/08/72/820400872.db2.gz GEPMLLAAZIPNBH-LBPRGKRZSA-N 1 1 380.847 4.128 20 0 GIADMO COc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c(OC)cc1Cl ZINC000029152616 820400877 /nfs/dbraw/zinc/40/08/77/820400877.db2.gz GEPMLLAAZIPNBH-LBPRGKRZSA-N 1 1 380.847 4.128 20 0 GIADMO CC(C)(CNC(=O)Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000029161246 820403024 /nfs/dbraw/zinc/40/30/24/820403024.db2.gz KSIXZYAAMULPAM-UHFFFAOYSA-N 1 1 390.449 4.201 20 0 GIADMO O=C(c1cccc(F)c1)N1CCC[N@@H+](CCOc2ccc3ccccc3c2)CC1 ZINC000029224674 820414073 /nfs/dbraw/zinc/41/40/73/820414073.db2.gz GJRBOYBZTSWVNK-UHFFFAOYSA-N 1 1 392.474 4.206 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@@H]1CCCc2sccc21 ZINC000123198563 823477813 /nfs/dbraw/zinc/47/78/13/823477813.db2.gz JTNOZSMHWZPYJO-GOSISDBHSA-N 1 1 387.574 4.496 20 0 GIADMO O=C(Nc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1)c1ccccc1 ZINC000573355240 823483601 /nfs/dbraw/zinc/48/36/01/823483601.db2.gz IXAUVEVXUZEHJL-DNVJHFABSA-N 1 1 377.532 4.339 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000189705537 823479433 /nfs/dbraw/zinc/47/94/33/823479433.db2.gz JPPHPUIWETVLGE-ROUUACIJSA-N 1 1 377.410 4.358 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000059003919 823481899 /nfs/dbraw/zinc/48/18/99/823481899.db2.gz NEGYUIBOKCEKRI-UHFFFAOYSA-N 1 1 387.351 4.341 20 0 GIADMO CC(C)C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000573345416 823482217 /nfs/dbraw/zinc/48/22/17/823482217.db2.gz VTEVDQLCIGAKNB-VQTJNVASSA-N 1 1 386.927 4.178 20 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/nfs/dbraw/zinc/48/50/65/823485065.db2.gz SHWGBSQKZXLFIJ-GOSISDBHSA-N 1 1 398.457 4.427 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@H](C)c2cccc(O)c2)cc1 ZINC000123278195 823489522 /nfs/dbraw/zinc/48/95/22/823489522.db2.gz FQEMXBVDPORMMY-HZPDHXFCSA-N 1 1 378.476 4.350 20 0 GIADMO COc1ccc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC000059060720 823485219 /nfs/dbraw/zinc/48/52/19/823485219.db2.gz VCWZGMAWIAFPGT-CALCHBBNSA-N 1 1 384.495 4.242 20 0 GIADMO C[N@@H+]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000029803399 820521737 /nfs/dbraw/zinc/52/17/37/820521737.db2.gz VIFCPYHGWPBUTH-LJQANCHMSA-N 1 1 377.315 4.441 20 0 GIADMO C[N@H+]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000029803399 820521746 /nfs/dbraw/zinc/52/17/46/820521746.db2.gz VIFCPYHGWPBUTH-LJQANCHMSA-N 1 1 377.315 4.441 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(F)c(Cl)c1 ZINC000029824784 820525037 /nfs/dbraw/zinc/52/50/37/820525037.db2.gz BPXXCNRTPJKTQV-CYBMUJFWSA-N 1 1 387.842 4.438 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(F)c(Cl)c1 ZINC000029824784 820525039 /nfs/dbraw/zinc/52/50/39/820525039.db2.gz BPXXCNRTPJKTQV-CYBMUJFWSA-N 1 1 387.842 4.438 20 0 GIADMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000029824771 820525154 /nfs/dbraw/zinc/52/51/54/820525154.db2.gz LIQNBHUCGIILPR-PQLNIDLTSA-N 1 1 393.531 4.092 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029827899 820526811 /nfs/dbraw/zinc/52/68/11/820526811.db2.gz JVVJZAXWXSCCIQ-OXQOHEQNSA-N 1 1 393.487 4.433 20 0 GIADMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828823 820527554 /nfs/dbraw/zinc/52/75/54/820527554.db2.gz YPBHSRGOQJLSEZ-NVXWUHKLSA-N 1 1 395.528 4.042 20 0 GIADMO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029898356 820542835 /nfs/dbraw/zinc/54/28/35/820542835.db2.gz UIQOMQBPCSSFOC-HXUWFJFHSA-N 1 1 381.451 4.232 20 0 GIADMO CC[C@H](CNC(=O)CCc1cc2ccccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000029911242 820545978 /nfs/dbraw/zinc/54/59/78/820545978.db2.gz ZDIRHXIQJLEMIU-OAQYLSRUSA-N 1 1 376.500 4.319 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000123265820 823487751 /nfs/dbraw/zinc/48/77/51/823487751.db2.gz RVDCEKBUVWSULP-HTAPYJJXSA-N 1 1 396.535 4.375 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000030007265 820567561 /nfs/dbraw/zinc/56/75/61/820567561.db2.gz DUBDZVWNFILHNN-QFIPXVFZSA-N 1 1 388.467 4.251 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000030153983 820580618 /nfs/dbraw/zinc/58/06/18/820580618.db2.gz DYMLBVAUPBHZKN-UHFFFAOYSA-N 1 1 379.479 4.497 20 0 GIADMO C[N@H+](Cc1ccc(Br)o1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000030214312 820586791 /nfs/dbraw/zinc/58/67/91/820586791.db2.gz XWLWYCQCLVHABP-UHFFFAOYSA-N 1 1 388.261 4.269 20 0 GIADMO C[N@@H+](Cc1ccc(Br)o1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000030214312 820586793 /nfs/dbraw/zinc/58/67/93/820586793.db2.gz XWLWYCQCLVHABP-UHFFFAOYSA-N 1 1 388.261 4.269 20 0 GIADMO O=C(C[N@@H+](Cc1ccc(Cl)cc1)C1CC1)Nc1cccc(N2CCCC2=O)c1 ZINC000059387945 823494725 /nfs/dbraw/zinc/49/47/25/823494725.db2.gz VNVZELRUGFJXLE-UHFFFAOYSA-N 1 1 397.906 4.070 20 0 GIADMO O=C(C[N@H+](Cc1ccc(Cl)cc1)C1CC1)Nc1cccc(N2CCCC2=O)c1 ZINC000059387945 823494728 /nfs/dbraw/zinc/49/47/28/823494728.db2.gz VNVZELRUGFJXLE-UHFFFAOYSA-N 1 1 397.906 4.070 20 0 GIADMO CC[C@H](CNC(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000059308496 823490785 /nfs/dbraw/zinc/49/07/85/823490785.db2.gz ZEPCYMLZJYYRNK-WOJBJXKFSA-N 1 1 383.561 4.432 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)ccc1OC(C)C ZINC000030454978 820618745 /nfs/dbraw/zinc/61/87/45/820618745.db2.gz APUIPTWGIOBNJR-AOMKIAJQSA-N 1 1 382.504 4.153 20 0 GIADMO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cn1 ZINC000189789961 823495072 /nfs/dbraw/zinc/49/50/72/823495072.db2.gz ZCTSPRNUGIYFTN-LJQANCHMSA-N 1 1 395.551 4.027 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000177561760 823491553 /nfs/dbraw/zinc/49/15/53/823491553.db2.gz WRSDOBSSIFMCPN-UHFFFAOYSA-N 1 1 391.437 4.460 20 0 GIADMO CC(C)C[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccncc1)[NH+](C)C ZINC000030663804 820661480 /nfs/dbraw/zinc/66/14/80/820661480.db2.gz QRAFNVRZHSZDOM-JOCHJYFZSA-N 1 1 377.536 4.000 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1cccc3ccccc31)CC2 ZINC000030673225 820663408 /nfs/dbraw/zinc/66/34/08/820663408.db2.gz CJBCYGMRKVUEOB-UHFFFAOYSA-N 1 1 390.483 4.244 20 0 GIADMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000059423170 823496119 /nfs/dbraw/zinc/49/61/19/823496119.db2.gz COKUFEGXBAJNHV-UHFFFAOYSA-N 1 1 379.456 4.258 20 0 GIADMO FC(F)Oc1ccc(Cl)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177582300 823496107 /nfs/dbraw/zinc/49/61/07/823496107.db2.gz RHJPUGBQDDTPLY-KRWDZBQOSA-N 1 1 389.870 4.492 20 0 GIADMO Cc1cccc2nc(C3CC[NH+]([C@@H](C)C(=O)Nc4ccc(Cl)cn4)CC3)oc21 ZINC000189801897 823497061 /nfs/dbraw/zinc/49/70/61/823497061.db2.gz JJPATYZTQJZZFR-AWEZNQCLSA-N 1 1 398.894 4.391 20 0 GIADMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1-n1cccc1 ZINC000030897234 820703991 /nfs/dbraw/zinc/70/39/91/820703991.db2.gz CAJGEWDGYOKVAE-UHFFFAOYSA-N 1 1 391.490 4.273 20 0 GIADMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1-n1cccc1 ZINC000030897234 820703994 /nfs/dbraw/zinc/70/39/94/820703994.db2.gz CAJGEWDGYOKVAE-UHFFFAOYSA-N 1 1 391.490 4.273 20 0 GIADMO O=C(c1ccc2c3c(cccc31)CC2)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000030897331 820704674 /nfs/dbraw/zinc/70/46/74/820704674.db2.gz TYICXRBVMBHOCM-UHFFFAOYSA-N 1 1 388.486 4.426 20 0 GIADMO O=C(c1ccc2c3c(cccc31)CC2)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000030897331 820704679 /nfs/dbraw/zinc/70/46/79/820704679.db2.gz TYICXRBVMBHOCM-UHFFFAOYSA-N 1 1 388.486 4.426 20 0 GIADMO CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)C1 ZINC000030970014 820712830 /nfs/dbraw/zinc/71/28/30/820712830.db2.gz JAUAOAFDYIIZSV-IBGZPJMESA-N 1 1 396.531 4.012 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 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GIADMO COc1ccc2cc(C(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)[nH]c2c1 ZINC000031218069 820773055 /nfs/dbraw/zinc/77/30/55/820773055.db2.gz NHRCYQZFZLBIDD-UHFFFAOYSA-N 1 1 399.494 4.288 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)C1 ZINC000410594122 823505823 /nfs/dbraw/zinc/50/58/23/823505823.db2.gz SZCICPYCZWDBNL-KZULUSFZSA-N 1 1 378.303 4.098 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1C ZINC000059959097 823503659 /nfs/dbraw/zinc/50/36/59/823503659.db2.gz UYGLNMSGQNMPKY-OFNKIYASSA-N 1 1 380.532 4.162 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1C ZINC000059959097 823503663 /nfs/dbraw/zinc/50/36/63/823503663.db2.gz UYGLNMSGQNMPKY-OFNKIYASSA-N 1 1 380.532 4.162 20 0 GIADMO C[C@@H](NC(=O)N1CCc2cc(Cl)ccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189867064 823508090 /nfs/dbraw/zinc/50/80/90/823508090.db2.gz YEXIPXJGOQYNLB-NVXWUHKLSA-N 1 1 375.944 4.061 20 0 GIADMO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000177656834 823508628 /nfs/dbraw/zinc/50/86/28/823508628.db2.gz QUZLWLFIFCPBGG-OAHLLOKOSA-N 1 1 387.499 4.201 20 0 GIADMO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000031963948 820881361 /nfs/dbraw/zinc/88/13/61/820881361.db2.gz CDJRXSVFFVTDBR-ZDUSSCGKSA-N 1 1 380.966 4.057 20 0 GIADMO C[C@@H](CNC(=O)CSc1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000031963948 820881373 /nfs/dbraw/zinc/88/13/73/820881373.db2.gz CDJRXSVFFVTDBR-ZDUSSCGKSA-N 1 1 380.966 4.057 20 0 GIADMO CC(C)c1ccc(OCC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000060220386 823512667 /nfs/dbraw/zinc/51/26/67/823512667.db2.gz LUAPFGYICOUFGX-UHFFFAOYSA-N 1 1 384.545 4.376 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccc(F)c1 ZINC000032216887 820903610 /nfs/dbraw/zinc/90/36/10/820903610.db2.gz JNHWFACNJZCQNR-QFIPXVFZSA-N 1 1 392.474 4.361 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1SC(F)(F)F ZINC000032401515 820934712 /nfs/dbraw/zinc/93/47/12/820934712.db2.gz IYEBBMOVOCVZIK-UHFFFAOYSA-N 1 1 394.462 4.477 20 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/nfs/dbraw/zinc/51/90/60/823519060.db2.gz ADIULJZVBCJTQX-UHFFFAOYSA-N 1 1 382.573 4.498 20 0 GIADMO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000060356441 823519206 /nfs/dbraw/zinc/51/92/06/823519206.db2.gz RSDDXIGHZKUBQD-KRWDZBQOSA-N 1 1 395.478 4.050 20 0 GIADMO Cc1ccccc1-c1cc(NC(=O)C[N@H+](C)C(C)C)n(Cc2ccccc2)n1 ZINC000060358789 823519486 /nfs/dbraw/zinc/51/94/86/823519486.db2.gz FWLLNMHQYJVZIP-UHFFFAOYSA-N 1 1 376.504 4.186 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccccc2Cl)on1)[NH+](C)C ZINC000032695700 820993488 /nfs/dbraw/zinc/99/34/88/820993488.db2.gz ILRDMAHJNWJBAO-GOSISDBHSA-N 1 1 399.878 4.036 20 0 GIADMO COc1cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c(-c2ccccc2)cc1OC ZINC000123548538 823520106 /nfs/dbraw/zinc/52/01/06/823520106.db2.gz DHYOMKVCKVSKAO-UHFFFAOYSA-N 1 1 396.531 4.061 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000032768883 821006256 /nfs/dbraw/zinc/00/62/56/821006256.db2.gz INVFGCVQLGNOAA-FGCOXFRFSA-N 1 1 381.516 4.287 20 0 GIADMO CCn1ccnc1CN1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000060378830 823521786 /nfs/dbraw/zinc/52/17/86/823521786.db2.gz SFVNFQSLXYRENN-UHFFFAOYSA-N 1 1 384.524 4.088 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)CC1 ZINC000123570101 823522647 /nfs/dbraw/zinc/52/26/47/823522647.db2.gz FATQPIZUILHVHR-QGZVFWFLSA-N 1 1 378.582 4.146 20 0 GIADMO COc1ccc(-c2nc(C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)cs2)cc1 ZINC000060394624 823523350 /nfs/dbraw/zinc/52/33/50/823523350.db2.gz JXELGJWNSHYLQI-UHFFFAOYSA-N 1 1 387.549 4.011 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000177800522 823527424 /nfs/dbraw/zinc/52/74/24/823527424.db2.gz TZJGQFQLAOENHU-SJORKVTESA-N 1 1 375.472 4.194 20 0 GIADMO OC1(c2c(F)cccc2F)CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000190025676 823527993 /nfs/dbraw/zinc/52/79/93/823527993.db2.gz ZJDZOODIOSFMDO-UHFFFAOYSA-N 1 1 397.425 4.031 20 0 GIADMO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000036179949 821069603 /nfs/dbraw/zinc/06/96/03/821069603.db2.gz KMKDTFAWAZJGPB-UHFFFAOYSA-N 1 1 388.309 4.107 20 0 GIADMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000123648660 823529137 /nfs/dbraw/zinc/52/91/37/823529137.db2.gz FJNYZXLWVPDHEY-UHFFFAOYSA-N 1 1 380.423 4.037 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1cc(Br)ccc1F)c1ccccc1Cl ZINC000036700589 821077215 /nfs/dbraw/zinc/07/72/15/821077215.db2.gz TXGMRZKXUDGHKU-MRXNPFEDSA-N 1 1 399.691 4.274 20 0 GIADMO Fc1ccccc1-c1nc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cs1 ZINC000123594578 823524497 /nfs/dbraw/zinc/52/44/97/823524497.db2.gz XWRJVNDMSFJNNC-HZPDHXFCSA-N 1 1 378.538 4.436 20 0 GIADMO Fc1ccccc1-c1nc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cs1 ZINC000123594578 823524501 /nfs/dbraw/zinc/52/45/01/823524501.db2.gz XWRJVNDMSFJNNC-HZPDHXFCSA-N 1 1 378.538 4.436 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000036811851 821085607 /nfs/dbraw/zinc/08/56/07/821085607.db2.gz VLVQDHPVHFBEMC-GOSISDBHSA-N 1 1 379.460 4.200 20 0 GIADMO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(I)cc1 ZINC000037786429 821093772 /nfs/dbraw/zinc/09/37/72/821093772.db2.gz ZIHVZODNEZDFTD-ZDUSSCGKSA-N 1 1 386.321 4.205 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1 ZINC000060425997 823525998 /nfs/dbraw/zinc/52/59/98/823525998.db2.gz MIKYEQKAXMEVDV-CQSZACIVSA-N 1 1 390.325 4.082 20 0 GIADMO Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cs1 ZINC000190017044 823526322 /nfs/dbraw/zinc/52/63/22/823526322.db2.gz QIXKYTKZFAGKST-YLJYHZDGSA-N 1 1 387.524 4.166 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC000123625949 823527027 /nfs/dbraw/zinc/52/70/27/823527027.db2.gz FXVNPADSCMPEPP-GJZGRUSLSA-N 1 1 384.446 4.219 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000177794704 823527090 /nfs/dbraw/zinc/52/70/90/823527090.db2.gz UUKRVHZVOYALBH-CVEARBPZSA-N 1 1 375.925 4.162 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21 ZINC000060501968 823535337 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823536547 /nfs/dbraw/zinc/53/65/47/823536547.db2.gz NFRCEXIQMBFXFS-IBGZPJMESA-N 1 1 399.966 4.408 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3ccccc3)cc2)[C@H](C)C1 ZINC000177860724 823537738 /nfs/dbraw/zinc/53/77/38/823537738.db2.gz GINOVRINSQCYQN-XMSQKQJNSA-N 1 1 381.520 4.460 20 0 GIADMO Cc1c(Br)cccc1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190108399 823538062 /nfs/dbraw/zinc/53/80/62/823538062.db2.gz XBHHYQJOCVOGNG-NVXWUHKLSA-N 1 1 393.369 4.069 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)CCCNC(=O)C(C)(C)C)C1CCCCC1 ZINC000041868246 821240229 /nfs/dbraw/zinc/24/02/29/821240229.db2.gz DWOHZNCWBAIBCS-UHFFFAOYSA-N 1 1 387.568 4.332 20 0 GIADMO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000042227340 821287845 /nfs/dbraw/zinc/28/78/45/821287845.db2.gz PXTYIGLHCYHYSA-UHFFFAOYSA-N 1 1 383.927 4.400 20 0 GIADMO c1csc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000042229102 821288436 /nfs/dbraw/zinc/28/84/36/821288436.db2.gz MIWNFUVDBNKHBQ-KRWDZBQOSA-N 1 1 378.545 4.175 20 0 GIADMO c1csc(-c2nn(-c3ccccc3)cc2CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000042229102 821288442 /nfs/dbraw/zinc/28/84/42/821288442.db2.gz MIWNFUVDBNKHBQ-KRWDZBQOSA-N 1 1 378.545 4.175 20 0 GIADMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000042573906 821312340 /nfs/dbraw/zinc/31/23/40/821312340.db2.gz SAZFTTVJHXBNMY-RBUKOAKNSA-N 1 1 378.516 4.156 20 0 GIADMO CC(C)(C)n1nc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C1CC1 ZINC000042764021 821331567 /nfs/dbraw/zinc/33/15/67/821331567.db2.gz ANOGWIBWKWSBCS-IBGZPJMESA-N 1 1 384.524 4.066 20 0 GIADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccc(SC(F)F)cc2)C[C@H](C)O1 ZINC000043118935 821363964 /nfs/dbraw/zinc/36/39/64/821363964.db2.gz XEYNHXDGKTYBFG-BETUJISGSA-N 1 1 387.496 4.011 20 0 GIADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(SC(F)F)cc2)C[C@H](C)O1 ZINC000043118935 821363973 /nfs/dbraw/zinc/36/39/73/821363973.db2.gz XEYNHXDGKTYBFG-BETUJISGSA-N 1 1 387.496 4.011 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000043169017 821372650 /nfs/dbraw/zinc/37/26/50/821372650.db2.gz OJEOFDAYBVNJPP-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000043169017 821372660 /nfs/dbraw/zinc/37/26/60/821372660.db2.gz OJEOFDAYBVNJPP-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO CCC(CC)n1nc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1C ZINC000180624563 821373041 /nfs/dbraw/zinc/37/30/41/821373041.db2.gz GGRJWFUBQGNOOT-SFHVURJKSA-N 1 1 382.552 4.289 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180632175 821375768 /nfs/dbraw/zinc/37/57/68/821375768.db2.gz JLKCRGJILVWELO-XLIONFOSSA-N 1 1 397.567 4.190 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180632175 821375770 /nfs/dbraw/zinc/37/57/70/821375770.db2.gz JLKCRGJILVWELO-XLIONFOSSA-N 1 1 397.567 4.190 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)n2)ccc1F ZINC000180636296 821377422 /nfs/dbraw/zinc/37/74/22/821377422.db2.gz XMXMMAMFWGWSFL-WBVHZDCISA-N 1 1 398.486 4.297 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](c4nncn4C(C)C)C3)n2)ccc1F ZINC000180636296 821377431 /nfs/dbraw/zinc/37/74/31/821377431.db2.gz XMXMMAMFWGWSFL-WBVHZDCISA-N 1 1 398.486 4.297 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1)c1ccc(F)cc1 ZINC000180638441 821377921 /nfs/dbraw/zinc/37/79/21/821377921.db2.gz BNVCURFXAZVELV-UNMCSNQZSA-N 1 1 393.462 4.496 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180641339 821378830 /nfs/dbraw/zinc/37/88/30/821378830.db2.gz DSFCHAKFDRVIFO-XDNSSPFJSA-N 1 1 394.563 4.478 20 0 GIADMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000180652364 821383143 /nfs/dbraw/zinc/38/31/43/821383143.db2.gz XLGGTNSVHCYFEO-NFBKMPQASA-N 1 1 391.515 4.041 20 0 GIADMO CCOc1cc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)ccc1OC ZINC000043307267 821389689 /nfs/dbraw/zinc/38/96/89/821389689.db2.gz DBEUCQNFVKEZLW-KRWDZBQOSA-N 1 1 391.899 4.172 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3SC)CC2)cc1 ZINC000043318821 821391928 /nfs/dbraw/zinc/39/19/28/821391928.db2.gz XPLUKSUIVUPUST-UHFFFAOYSA-N 1 1 385.533 4.157 20 0 GIADMO Cc1cc(C)n(CCCNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)n1 ZINC000043391323 821401174 /nfs/dbraw/zinc/40/11/74/821401174.db2.gz AJZYLNLCCQGJLF-UHFFFAOYSA-N 1 1 397.567 4.476 20 0 GIADMO CCOc1cccc([C@@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000180718617 821415475 /nfs/dbraw/zinc/41/54/75/821415475.db2.gz FFPVCWNCLIPEIV-CQSZACIVSA-N 1 1 381.501 4.159 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(N2CCCC2)cc1C)[NH+](C)C ZINC000043496810 821418389 /nfs/dbraw/zinc/41/83/89/821418389.db2.gz IOBLICNJJXHCAV-OAQYLSRUSA-N 1 1 396.535 4.028 20 0 GIADMO COCCCOCC[N@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000180725100 821419865 /nfs/dbraw/zinc/41/98/65/821419865.db2.gz HMNTZUDAYTZBDM-GFCCVEGCSA-N 1 1 388.295 4.089 20 0 GIADMO COCCCOCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000180725100 821419872 /nfs/dbraw/zinc/41/98/72/821419872.db2.gz HMNTZUDAYTZBDM-GFCCVEGCSA-N 1 1 388.295 4.089 20 0 GIADMO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000180737622 821425835 /nfs/dbraw/zinc/42/58/35/821425835.db2.gz UEYREWTURZJHFV-INIZCTEOSA-N 1 1 386.458 4.271 20 0 GIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccccc2SC(F)F)C[C@@H](C)O1 ZINC000043552433 821426940 /nfs/dbraw/zinc/42/69/40/821426940.db2.gz WUZDFIZFZHCKAV-CHWSQXEVSA-N 1 1 387.496 4.011 20 0 GIADMO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644378 821435878 /nfs/dbraw/zinc/43/58/78/821435878.db2.gz CUQVMTXMRIVRAN-KSSFIOAISA-N 1 1 392.421 4.166 20 0 GIADMO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644378 821435881 /nfs/dbraw/zinc/43/58/81/821435881.db2.gz CUQVMTXMRIVRAN-KSSFIOAISA-N 1 1 392.421 4.166 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180761498 821440053 /nfs/dbraw/zinc/44/00/53/821440053.db2.gz NTAXFMVOLRLIFL-QUCCMNQESA-N 1 1 389.902 4.147 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180761498 821440059 /nfs/dbraw/zinc/44/00/59/821440059.db2.gz NTAXFMVOLRLIFL-QUCCMNQESA-N 1 1 389.902 4.147 20 0 GIADMO CCOc1ccc([C@@H]([NH2+][C@H]2CCN(C(=O)CC)C2)c2ccccc2Cl)cc1 ZINC000180778370 821451852 /nfs/dbraw/zinc/45/18/52/821451852.db2.gz LVJOSMAZCCHDEU-HTAPYJJXSA-N 1 1 386.923 4.429 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000043751781 821453073 /nfs/dbraw/zinc/45/30/73/821453073.db2.gz JTSRGSRNZZJQAQ-DEOSSOPVSA-N 1 1 399.494 4.231 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000043751781 821453080 /nfs/dbraw/zinc/45/30/80/821453080.db2.gz JTSRGSRNZZJQAQ-DEOSSOPVSA-N 1 1 399.494 4.231 20 0 GIADMO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000043771612 821455881 /nfs/dbraw/zinc/45/58/81/821455881.db2.gz AUVJZJLKTIFYFC-GJZGRUSLSA-N 1 1 392.952 4.040 20 0 GIADMO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000043771612 821455884 /nfs/dbraw/zinc/45/58/84/821455884.db2.gz AUVJZJLKTIFYFC-GJZGRUSLSA-N 1 1 392.952 4.040 20 0 GIADMO Cn1cc(C[N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)c(C(F)(F)F)n1 ZINC000180793666 821462167 /nfs/dbraw/zinc/46/21/67/821462167.db2.gz UJWBFPCMRMESDQ-UHFFFAOYSA-N 1 1 383.748 4.326 20 0 GIADMO Cn1cc(C[N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)c(C(F)(F)F)n1 ZINC000180793666 821462173 /nfs/dbraw/zinc/46/21/73/821462173.db2.gz UJWBFPCMRMESDQ-UHFFFAOYSA-N 1 1 383.748 4.326 20 0 GIADMO COCCCOc1cccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180804291 821467566 /nfs/dbraw/zinc/46/75/66/821467566.db2.gz SCNMRRVVLXOREG-KRWDZBQOSA-N 1 1 397.441 4.154 20 0 GIADMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000180806563 821469582 /nfs/dbraw/zinc/46/95/82/821469582.db2.gz HBRXXMLBKWTKAO-IBGZPJMESA-N 1 1 382.504 4.216 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000180807079 821470303 /nfs/dbraw/zinc/47/03/03/821470303.db2.gz STAWMCREUNKPRU-LJQANCHMSA-N 1 1 382.504 4.216 20 0 GIADMO COc1ccc([C@H](CN[C@@H](c2ccccc2)c2ccccn2)[NH+](C)C)cc1OC ZINC000180810197 821471555 /nfs/dbraw/zinc/47/15/55/821471555.db2.gz MXAQSWPFCKHRJY-URXFXBBRSA-N 1 1 391.515 4.081 20 0 GIADMO O=C(Nc1cccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c1)[C@@H]1CCCO1 ZINC000180819421 821478847 /nfs/dbraw/zinc/47/88/47/821478847.db2.gz MPOKKCXEMLWWFZ-NRFANRHFSA-N 1 1 392.455 4.479 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-n2cccn2)cc1 ZINC000180819806 821479331 /nfs/dbraw/zinc/47/93/31/821479331.db2.gz LMHDMVLKJQJYPV-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccco1 ZINC000043907659 821488077 /nfs/dbraw/zinc/48/80/77/821488077.db2.gz TWZLTQHKIFYWLH-INIZCTEOSA-N 1 1 385.464 4.136 20 0 GIADMO COc1cc(OC)c(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000180855303 821496678 /nfs/dbraw/zinc/49/66/78/821496678.db2.gz NGNCXNGAOIMNLI-KGLIPLIRSA-N 1 1 395.931 4.132 20 0 GIADMO COc1ccc([C@@H]([NH2+]C2CCN(C)CC2)c2ccccc2)cc1Br ZINC000180859713 821498274 /nfs/dbraw/zinc/49/82/74/821498274.db2.gz TXAYJBBBYKIGHG-FQEVSTJZSA-N 1 1 389.337 4.231 20 0 GIADMO C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180868782 821504457 /nfs/dbraw/zinc/50/44/57/821504457.db2.gz BPPFABNCXBVKMC-HIFRSBDPSA-N 1 1 375.314 4.316 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)n2)ccc1F ZINC000180877352 821508053 /nfs/dbraw/zinc/50/80/53/821508053.db2.gz RBJQWUXUWHMBNN-ZBFHGGJFSA-N 1 1 396.470 4.051 20 0 GIADMO Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)n2)ccc1F ZINC000180877352 821508063 /nfs/dbraw/zinc/50/80/63/821508063.db2.gz RBJQWUXUWHMBNN-ZBFHGGJFSA-N 1 1 396.470 4.051 20 0 GIADMO CC(C)([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(F)c(F)c1 ZINC000180880808 821510702 /nfs/dbraw/zinc/51/07/02/821510702.db2.gz SNIRTXTZOKBMFY-UHFFFAOYSA-N 1 1 387.455 4.212 20 0 GIADMO CCCc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000044079733 821518035 /nfs/dbraw/zinc/51/80/35/821518035.db2.gz KNLMUIGQHDSJPI-UHFFFAOYSA-N 1 1 381.520 4.388 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000044186623 821542174 /nfs/dbraw/zinc/54/21/74/821542174.db2.gz MSBFLNBSXQYAHJ-LJQANCHMSA-N 1 1 396.560 4.018 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000180960603 821557281 /nfs/dbraw/zinc/55/72/81/821557281.db2.gz ZNGLQRRXPNQMQS-UHFFFAOYSA-N 1 1 390.531 4.491 20 0 GIADMO Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(Cl)n1 ZINC000044325622 821569443 /nfs/dbraw/zinc/56/94/43/821569443.db2.gz BBSWOAIUUVPJCN-QGZVFWFLSA-N 1 1 378.303 4.264 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180995099 821581900 /nfs/dbraw/zinc/58/19/00/821581900.db2.gz GIQBBQSUHLGFJU-LJQANCHMSA-N 1 1 396.918 4.456 20 0 GIADMO Cc1cc(F)ccc1-c1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000180998490 821583792 /nfs/dbraw/zinc/58/37/92/821583792.db2.gz HVBVXRWTJBHAAO-NRFANRHFSA-N 1 1 394.490 4.251 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000181005465 821587825 /nfs/dbraw/zinc/58/78/25/821587825.db2.gz SUHWMIFBJOTFRN-CYBMUJFWSA-N 1 1 396.318 4.371 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)CCSc3ccc(C)c(C)c3)sc2C1 ZINC000044516081 821598127 /nfs/dbraw/zinc/59/81/27/821598127.db2.gz QRKAPXUXXLJFPL-UHFFFAOYSA-N 1 1 375.563 4.259 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)CCSc3ccc(C)c(C)c3)sc2C1 ZINC000044516081 821598131 /nfs/dbraw/zinc/59/81/31/821598131.db2.gz QRKAPXUXXLJFPL-UHFFFAOYSA-N 1 1 375.563 4.259 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)NCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC000044532911 821601100 /nfs/dbraw/zinc/60/11/00/821601100.db2.gz SKDFPQONMOABRO-OAHLLOKOSA-N 1 1 389.590 4.348 20 0 GIADMO Cc1nnc(CN2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)o1 ZINC000044591338 821617429 /nfs/dbraw/zinc/61/74/29/821617429.db2.gz VKDCYHZRSVZQMF-UHFFFAOYSA-N 1 1 388.924 4.078 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000181072520 821618246 /nfs/dbraw/zinc/61/82/46/821618246.db2.gz CDRPVGLELTVZQO-ZBEGNZNMSA-N 1 1 396.318 4.369 20 0 GIADMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000044856757 821672924 /nfs/dbraw/zinc/67/29/24/821672924.db2.gz BEWFGIVCMDZWJT-RTWAWAEBSA-N 1 1 396.531 4.183 20 0 GIADMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000181185417 821684220 /nfs/dbraw/zinc/68/42/20/821684220.db2.gz KZHQXVDUHCXCEK-INIZCTEOSA-N 1 1 380.444 4.031 20 0 GIADMO Clc1ccc(-n2cc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)nn2)cc1 ZINC000181191777 821687784 /nfs/dbraw/zinc/68/77/84/821687784.db2.gz PZXIKAGOVMGDTQ-IERDGZPVSA-N 1 1 382.895 4.178 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1Cl ZINC000045017572 821691710 /nfs/dbraw/zinc/69/17/10/821691710.db2.gz GRGXCSDBJGKNRR-IVMMDQJWSA-N 1 1 376.850 4.428 20 0 GIADMO CC(=O)Nc1cccc(Nc2nnc(SCC[C@@H]3CCCC[N@@H+]3C)s2)c1 ZINC000045022850 821693200 /nfs/dbraw/zinc/69/32/00/821693200.db2.gz IFXCZXHHRILIAH-INIZCTEOSA-N 1 1 391.566 4.207 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)o1 ZINC000181228520 821707419 /nfs/dbraw/zinc/70/74/19/821707419.db2.gz UWADVDCUEMOBFZ-QFIPXVFZSA-N 1 1 377.440 4.270 20 0 GIADMO Cn1c(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)nnc1C1CCC1 ZINC000181250398 821718281 /nfs/dbraw/zinc/71/82/81/821718281.db2.gz XLALNGKRKFGPCN-UHFFFAOYSA-N 1 1 382.508 4.146 20 0 GIADMO Cn1c(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)nnc1C1CCC1 ZINC000181250398 821718287 /nfs/dbraw/zinc/71/82/87/821718287.db2.gz XLALNGKRKFGPCN-UHFFFAOYSA-N 1 1 382.508 4.146 20 0 GIADMO Cc1noc(C)c1[C@H](C)CC(=O)O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000181295545 821741473 /nfs/dbraw/zinc/74/14/73/821741473.db2.gz HBQVDJAXAXLLOD-VFNWGFHPSA-N 1 1 382.504 4.091 20 0 GIADMO CCCc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1 ZINC000181318693 821756149 /nfs/dbraw/zinc/75/61/49/821756149.db2.gz YDHRMNUZRDPWJM-RTBURBONSA-N 1 1 394.563 4.208 20 0 GIADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)c3cccnc3)[C@H](c3ccco3)C2)cc1 ZINC000181340034 821770899 /nfs/dbraw/zinc/77/08/99/821770899.db2.gz WYIYBPQGNWLOOF-UWJYYQICSA-N 1 1 388.471 4.012 20 0 GIADMO FC(F)Oc1ccc(-n2nnnc2C[NH2+][C@@H](CC2CCC2)c2ccccc2)cc1 ZINC000181360217 821786522 /nfs/dbraw/zinc/78/65/22/821786522.db2.gz VDGMSZCPLCASOM-IBGZPJMESA-N 1 1 399.445 4.285 20 0 GIADMO COc1ccc(CC[N@H+](Cn2nc(C(F)F)n(C)c2=S)CC(C)(C)C)cc1 ZINC000181368576 821791672 /nfs/dbraw/zinc/79/16/72/821791672.db2.gz PWYCGCYBZYVXNU-UHFFFAOYSA-N 1 1 398.523 4.446 20 0 GIADMO COc1ccc(CC[N@@H+](Cn2nc(C(F)F)n(C)c2=S)CC(C)(C)C)cc1 ZINC000181368576 821791676 /nfs/dbraw/zinc/79/16/76/821791676.db2.gz PWYCGCYBZYVXNU-UHFFFAOYSA-N 1 1 398.523 4.446 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181371061 821792474 /nfs/dbraw/zinc/79/24/74/821792474.db2.gz DHMKTGCMNSGJIV-CTNGQTDRSA-N 1 1 389.902 4.147 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181371061 821792478 /nfs/dbraw/zinc/79/24/78/821792478.db2.gz DHMKTGCMNSGJIV-CTNGQTDRSA-N 1 1 389.902 4.147 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c(Br)c1 ZINC000181391662 821801955 /nfs/dbraw/zinc/80/19/55/821801955.db2.gz OTKCBUBXWHEKFX-LBPRGKRZSA-N 1 1 380.282 4.326 20 0 GIADMO C[C@H](CC(=O)NC[C@H](c1cccs1)[NH+](C)C)C(=O)c1ccc(Cl)cc1 ZINC000181400226 821807033 /nfs/dbraw/zinc/80/70/33/821807033.db2.gz DVKFSHPYJRWGHE-CZUORRHYSA-N 1 1 378.925 4.030 20 0 GIADMO C[C@@H]1C[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)[C@H]2CCCC[C@H]12 ZINC000181404556 821808667 /nfs/dbraw/zinc/80/86/67/821808667.db2.gz XDIZQRINSJIZDP-CPUCHLNUSA-N 1 1 375.310 4.232 20 0 GIADMO C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181429320 821822212 /nfs/dbraw/zinc/82/22/12/821822212.db2.gz JNFFREBOEMPRFU-DOTOQJQBSA-N 1 1 376.928 4.072 20 0 GIADMO COCCc1nc(C)c([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431930 821823701 /nfs/dbraw/zinc/82/37/01/821823701.db2.gz FATOSBCDZMBIHO-FUHIMQAGSA-N 1 1 387.593 4.344 20 0 GIADMO COCCc1nc(C)c([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431930 821823709 /nfs/dbraw/zinc/82/37/09/821823709.db2.gz FATOSBCDZMBIHO-FUHIMQAGSA-N 1 1 387.593 4.344 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)C[C@H]3CCCC[C@@H]3O)cs2)cc1OC ZINC000181440859 821827848 /nfs/dbraw/zinc/82/78/48/821827848.db2.gz RRZHSCOTMGYRDE-AEFFLSMTSA-N 1 1 390.549 4.200 20 0 GIADMO C[C@H](NC(=O)CSCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181449925 821831530 /nfs/dbraw/zinc/83/15/30/821831530.db2.gz HXDGCQQFXRPMRP-DOTOQJQBSA-N 1 1 380.985 4.342 20 0 GIADMO CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000181454029 821833216 /nfs/dbraw/zinc/83/32/16/821833216.db2.gz IEIBXVTVPCNILP-OAHLLOKOSA-N 1 1 386.517 4.096 20 0 GIADMO CC(C)c1nn(C)c2sc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc12 ZINC000181462895 821837530 /nfs/dbraw/zinc/83/75/30/821837530.db2.gz RJJLWZBITPDPNX-CABCVRRESA-N 1 1 388.581 4.141 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181469487 821841010 /nfs/dbraw/zinc/84/10/10/821841010.db2.gz GWQKOJKCIHARAT-GVDBMIGSSA-N 1 1 378.944 4.185 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(I)cc1 ZINC000181479113 821843799 /nfs/dbraw/zinc/84/37/99/821843799.db2.gz ULYLESADACCEMY-CYBMUJFWSA-N 1 1 395.288 4.454 20 0 GIADMO Cc1nc(CCC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)oc1-c1ccccc1 ZINC000181487518 821848590 /nfs/dbraw/zinc/84/85/90/821848590.db2.gz GSLPZUODMBFCKG-YLJYHZDGSA-N 1 1 395.547 4.352 20 0 GIADMO Cc1ccc(Br)c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000181505700 821857665 /nfs/dbraw/zinc/85/76/65/821857665.db2.gz FEKGOLIADTVMIQ-CABCVRRESA-N 1 1 379.342 4.140 20 0 GIADMO CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000181509284 821859967 /nfs/dbraw/zinc/85/99/67/821859967.db2.gz VNADPUNHVLSKOP-UGKGYDQZSA-N 1 1 387.568 4.466 20 0 GIADMO C[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181512037 821861664 /nfs/dbraw/zinc/86/16/64/821861664.db2.gz POLUVACMRCPVPD-WBVHZDCISA-N 1 1 398.469 4.287 20 0 GIADMO COc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](C)[C@H](C)c3ccccc3)s2)cc1 ZINC000181522767 821865742 /nfs/dbraw/zinc/86/57/42/821865742.db2.gz JVUNYKZZYWFVRW-GJZGRUSLSA-N 1 1 396.516 4.081 20 0 GIADMO Cc1cc2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)oc2c(Br)c1 ZINC000181538275 821872343 /nfs/dbraw/zinc/87/23/43/821872343.db2.gz WLNTVIXIURENIP-TZMCWYRMSA-N 1 1 379.298 4.058 20 0 GIADMO Cc1c(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cccc1C(=O)Nc1ccccc1 ZINC000181577823 821886166 /nfs/dbraw/zinc/88/61/66/821886166.db2.gz ZSPDTHGXODTUML-NRFANRHFSA-N 1 1 394.519 4.051 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cnn1-c1cccc(Cl)c1 ZINC000181579631 821887179 /nfs/dbraw/zinc/88/71/79/821887179.db2.gz QUSKOPXOVPYFRM-LLVKDONJSA-N 1 1 397.832 4.437 20 0 GIADMO Cn1cc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)c(C(F)(F)F)n1 ZINC000181581783 821888374 /nfs/dbraw/zinc/88/83/74/821888374.db2.gz SGCJQNCRMPAROW-GFCCVEGCSA-N 1 1 392.194 4.118 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cnn1-c1cc(C)ccc1C ZINC000181582814 821888649 /nfs/dbraw/zinc/88/86/49/821888649.db2.gz DVFJHDGXXDYCKH-AWEZNQCLSA-N 1 1 391.441 4.401 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccccn1 ZINC000181594928 821895162 /nfs/dbraw/zinc/89/51/62/821895162.db2.gz LQWKMKFWUFVZPL-RHSMWYFYSA-N 1 1 396.541 4.233 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C2CC2)n1 ZINC000181601792 821897843 /nfs/dbraw/zinc/89/78/43/821897843.db2.gz OZOJGUMVPYEGSC-ABAIWWIYSA-N 1 1 381.448 4.121 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)C2CC2)n1 ZINC000181601737 821898109 /nfs/dbraw/zinc/89/81/09/821898109.db2.gz OZOJGUMVPYEGSC-XHDPSFHLSA-N 1 1 381.448 4.121 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2F)C2CC2)n1 ZINC000181620005 821907050 /nfs/dbraw/zinc/90/70/50/821907050.db2.gz VDPSGIMFJHWNAS-OAHLLOKOSA-N 1 1 398.301 4.033 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000181643209 821919541 /nfs/dbraw/zinc/91/95/41/821919541.db2.gz USEUZSQIWODZNF-GOSISDBHSA-N 1 1 380.895 4.461 20 0 GIADMO CCC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1OC)c1ccc(F)cc1F ZINC000181658393 821927569 /nfs/dbraw/zinc/92/75/69/821927569.db2.gz XPVREXOEUVNXOW-KRWDZBQOSA-N 1 1 378.419 4.052 20 0 GIADMO CCc1c2ccccc2oc1[C@H](C)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000181669998 821935742 /nfs/dbraw/zinc/93/57/42/821935742.db2.gz JDGXIZGOEHEIBT-KRWDZBQOSA-N 1 1 393.531 4.137 20 0 GIADMO C[C@H](NC(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181680464 821940801 /nfs/dbraw/zinc/94/08/01/821940801.db2.gz DNAGSRRYSQJOHG-UONOGXRCSA-N 1 1 385.335 4.141 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+]C2(c3ccc(C(C)(C)C)cc3)CCCC2)cs1 ZINC000181691387 821945997 /nfs/dbraw/zinc/94/59/97/821945997.db2.gz UOPBXQZUBPFWEJ-UHFFFAOYSA-N 1 1 385.577 4.288 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1 ZINC000181703927 821951421 /nfs/dbraw/zinc/95/14/21/821951421.db2.gz SWTUEOFBCWOXCC-INIZCTEOSA-N 1 1 397.700 4.018 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000181708922 821953808 /nfs/dbraw/zinc/95/38/08/821953808.db2.gz ORFHSCIKCHHXHI-UHFFFAOYSA-N 1 1 388.396 4.088 20 0 GIADMO C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ncc(Br)s1 ZINC000181711928 821955649 /nfs/dbraw/zinc/95/56/49/821955649.db2.gz XYWIROOVZKKMFN-SNVBAGLBSA-N 1 1 375.719 4.426 20 0 GIADMO C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ncc(Br)s1 ZINC000181711910 821955754 /nfs/dbraw/zinc/95/57/54/821955754.db2.gz XYWIROOVZKKMFN-JTQLQIEISA-N 1 1 375.719 4.426 20 0 GIADMO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccn(-c3c(F)cccc3F)n2)cc1OC ZINC000181765745 821983815 /nfs/dbraw/zinc/98/38/15/821983815.db2.gz JWDWEVOUPLGKKC-CQSZACIVSA-N 1 1 387.430 4.327 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cc2)cs1 ZINC000181810550 822002329 /nfs/dbraw/zinc/00/23/29/822002329.db2.gz WLTHRQISMHUTDO-HNNXBMFYSA-N 1 1 381.501 4.075 20 0 GIADMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000181836796 822012881 /nfs/dbraw/zinc/01/28/81/822012881.db2.gz DVSRMMXFQKJRLZ-SFHVURJKSA-N 1 1 392.858 4.090 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)cn1 ZINC000181848896 822016295 /nfs/dbraw/zinc/01/62/95/822016295.db2.gz PDRICRANTCIJKN-UHFFFAOYSA-N 1 1 394.784 4.178 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)c1ccc(-n2cncn2)cc1 ZINC000181873150 822022563 /nfs/dbraw/zinc/02/25/63/822022563.db2.gz HATHSQSQUVNUKK-MRXNPFEDSA-N 1 1 375.501 4.165 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000181883473 822025656 /nfs/dbraw/zinc/02/56/56/822025656.db2.gz HBSWCYMCRWJCBF-UONOGXRCSA-N 1 1 394.866 4.383 20 0 GIADMO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccc(-n2cncn2)cc1 ZINC000181918481 822036711 /nfs/dbraw/zinc/03/67/11/822036711.db2.gz GRNAOPGTOQCBHL-GFCCVEGCSA-N 1 1 387.365 4.278 20 0 GIADMO CCO[C@H](C)c1noc(CN2CC[NH+]([C@H](C)c3ccc(C(C)C)cc3)CC2)n1 ZINC000181921600 822037101 /nfs/dbraw/zinc/03/71/01/822037101.db2.gz UDYMCDZULJMQKS-QZTJIDSGSA-N 1 1 386.540 4.169 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)N(C)[C@H](C)c3cccs3)CC[N@H+]2C2CC2)c1 ZINC000181988191 822054820 /nfs/dbraw/zinc/05/48/20/822054820.db2.gz INYILYXGIZTJIF-MFMILTCTSA-N 1 1 399.560 4.437 20 0 GIADMO O=C(CC1CCC(C(F)(F)F)CC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000182017945 822064077 /nfs/dbraw/zinc/06/40/77/822064077.db2.gz KFWQJXQMEIECES-UHFFFAOYSA-N 1 1 382.470 4.310 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)C1 ZINC000182060553 822077650 /nfs/dbraw/zinc/07/76/50/822077650.db2.gz RXMHIODJIAVVOZ-AWEZNQCLSA-N 1 1 393.503 4.201 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182090007 822089481 /nfs/dbraw/zinc/08/94/81/822089481.db2.gz OVKRROLSOVDGPP-RBUKOAKNSA-N 1 1 395.547 4.196 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)cc1 ZINC000182111986 822098529 /nfs/dbraw/zinc/09/85/29/822098529.db2.gz TYSGSIBRUFTTBF-SFHVURJKSA-N 1 1 376.504 4.325 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cccc(Br)c1Cl ZINC000182124661 822104797 /nfs/dbraw/zinc/10/47/97/822104797.db2.gz XSKWCSDQAODQOJ-UHFFFAOYSA-N 1 1 391.656 4.244 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnn(CCC(F)(F)F)c3)cc2)C1 ZINC000182161221 822124519 /nfs/dbraw/zinc/12/45/19/822124519.db2.gz NQHUGFURVWXICH-OAHLLOKOSA-N 1 1 394.441 4.320 20 0 GIADMO CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182175595 822132969 /nfs/dbraw/zinc/13/29/69/822132969.db2.gz PDXCZJVEAJOWEZ-UZLBHIALSA-N 1 1 399.535 4.123 20 0 GIADMO CSCCCCCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000182217833 822152826 /nfs/dbraw/zinc/15/28/26/822152826.db2.gz NQFNHMGUJBTIJZ-UHFFFAOYSA-N 1 1 399.551 4.152 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)[C@@H]1CCCO1 ZINC000182236050 822160599 /nfs/dbraw/zinc/16/05/99/822160599.db2.gz PYCFIEDTVDALPG-QUCCMNQESA-N 1 1 387.549 4.492 20 0 GIADMO COc1cccc2cc([C@H](C)NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)oc21 ZINC000182237398 822161170 /nfs/dbraw/zinc/16/11/70/822161170.db2.gz BCIPPXRWIHTGCP-LAUBAEHRSA-N 1 1 394.515 4.249 20 0 GIADMO COc1cccc2cc([C@H](C)NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)oc21 ZINC000182237398 822161171 /nfs/dbraw/zinc/16/11/71/822161171.db2.gz BCIPPXRWIHTGCP-LAUBAEHRSA-N 1 1 394.515 4.249 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)cs2)c(OC)c1 ZINC000182257425 822172321 /nfs/dbraw/zinc/17/23/21/822172321.db2.gz AAVIKMFYPALLEC-CYBMUJFWSA-N 1 1 398.484 4.407 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182260719 822174645 /nfs/dbraw/zinc/17/46/45/822174645.db2.gz OVVBTAMVGCROGP-KBRIMQKVSA-N 1 1 379.957 4.003 20 0 GIADMO CC(C)(C)OC(=O)CCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000182265833 822178059 /nfs/dbraw/zinc/17/80/59/822178059.db2.gz VFUCUGFFXLKYGV-KRWDZBQOSA-N 1 1 385.451 4.173 20 0 GIADMO CC(C)(C)OC(=O)CCCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000182265833 822178063 /nfs/dbraw/zinc/17/80/63/822178063.db2.gz VFUCUGFFXLKYGV-KRWDZBQOSA-N 1 1 385.451 4.173 20 0 GIADMO CC(C)(C)OC(=O)CCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000182265847 822178168 /nfs/dbraw/zinc/17/81/68/822178168.db2.gz VFUCUGFFXLKYGV-QGZVFWFLSA-N 1 1 385.451 4.173 20 0 GIADMO CC(C)(C)OC(=O)CCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000182265847 822178174 /nfs/dbraw/zinc/17/81/74/822178174.db2.gz VFUCUGFFXLKYGV-QGZVFWFLSA-N 1 1 385.451 4.173 20 0 GIADMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000182449020 822246307 /nfs/dbraw/zinc/24/63/07/822246307.db2.gz DPPVYWYDXCLDMC-CHWSQXEVSA-N 1 1 387.867 4.440 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000177952336 822255518 /nfs/dbraw/zinc/25/55/18/822255518.db2.gz URAVMYAWQBTBGM-RDTXWAMCSA-N 1 1 397.466 4.083 20 0 GIADMO COCc1cc([C@H](C)NC2CC[NH+](CCc3ccccc3)CC2)ccc1OC ZINC000177969489 822262300 /nfs/dbraw/zinc/26/23/00/822262300.db2.gz YACOTSNMQMXGNK-IBGZPJMESA-N 1 1 382.548 4.199 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)cc1Cn1cccn1 ZINC000177971372 822263471 /nfs/dbraw/zinc/26/34/71/822263471.db2.gz VYAHCIMJSUAXGC-QGZVFWFLSA-N 1 1 388.471 4.446 20 0 GIADMO Fc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000177997785 822276164 /nfs/dbraw/zinc/27/61/64/822276164.db2.gz BYIXQPDKYXUHAQ-GFCCVEGCSA-N 1 1 396.363 4.406 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000182519191 822279398 /nfs/dbraw/zinc/27/93/98/822279398.db2.gz ZQCLGWJCYOSOLQ-LIRRHRJNSA-N 1 1 375.900 4.023 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2N2CCc3ccccc32)C1 ZINC000178012260 822281976 /nfs/dbraw/zinc/28/19/76/822281976.db2.gz AWEFBWSGBRZCTB-GOSISDBHSA-N 1 1 378.520 4.186 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)C1 ZINC000178021525 822286535 /nfs/dbraw/zinc/28/65/35/822286535.db2.gz PZXZIXYWZVVIJX-HNNXBMFYSA-N 1 1 379.932 4.467 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2N(C)Cc2ccccc2)C1 ZINC000178024644 822287733 /nfs/dbraw/zinc/28/77/33/822287733.db2.gz RMWYPLYSWQIMLM-FQEVSTJZSA-N 1 1 380.536 4.129 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2C)C1 ZINC000178036825 822292701 /nfs/dbraw/zinc/29/27/01/822292701.db2.gz AWCZNSPDTZJOMZ-FQEVSTJZSA-N 1 1 381.520 4.380 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000182542436 822292783 /nfs/dbraw/zinc/29/27/83/822292783.db2.gz GRJOEVGGSKTWFL-UHFFFAOYSA-N 1 1 381.904 4.109 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)C1 ZINC000178040860 822294800 /nfs/dbraw/zinc/29/48/00/822294800.db2.gz GTIXQEUVHSXPQL-GOSISDBHSA-N 1 1 382.508 4.296 20 0 GIADMO CN(C)C(=O)Cc1nc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)cs1 ZINC000182549670 822297060 /nfs/dbraw/zinc/29/70/60/822297060.db2.gz AKTXJQQMGLWQKX-FQEVSTJZSA-N 1 1 391.968 4.448 20 0 GIADMO Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](CNC(=O)c4ccccc4)C3)on2)cc1 ZINC000178051012 822300654 /nfs/dbraw/zinc/30/06/54/822300654.db2.gz HCSLHSZCVUYPSM-IBGZPJMESA-N 1 1 389.499 4.292 20 0 GIADMO C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178054410 822302356 /nfs/dbraw/zinc/30/23/56/822302356.db2.gz GEPNMYHFLNAPFX-HZPDHXFCSA-N 1 1 396.516 4.001 20 0 GIADMO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178054410 822302364 /nfs/dbraw/zinc/30/23/64/822302364.db2.gz GEPNMYHFLNAPFX-HZPDHXFCSA-N 1 1 396.516 4.001 20 0 GIADMO Cc1cccc([C@H](O)CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c1 ZINC000178066633 822307457 /nfs/dbraw/zinc/30/74/57/822307457.db2.gz SUBPXMGRIDXOGM-XMMPIXPASA-N 1 1 388.511 4.090 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000182570681 822307416 /nfs/dbraw/zinc/30/74/16/822307416.db2.gz ARZXRLKJEVBFIV-GOSISDBHSA-N 1 1 390.487 4.470 20 0 GIADMO CCCN(C(=O)[C@@H](C)c1c(C)n[nH]c1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000182574741 822308412 /nfs/dbraw/zinc/30/84/12/822308412.db2.gz KRENOOLOQDTSGC-LAUBAEHRSA-N 1 1 382.552 4.033 20 0 GIADMO CCC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000178075902 822310721 /nfs/dbraw/zinc/31/07/21/822310721.db2.gz LXMDLMKSQPWKCJ-KRWDZBQOSA-N 1 1 375.398 4.312 20 0 GIADMO Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182595352 822316094 /nfs/dbraw/zinc/31/60/94/822316094.db2.gz FFFFAYPJYDFJHO-LJQANCHMSA-N 1 1 392.421 4.416 20 0 GIADMO Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182595352 822316106 /nfs/dbraw/zinc/31/61/06/822316106.db2.gz FFFFAYPJYDFJHO-LJQANCHMSA-N 1 1 392.421 4.416 20 0 GIADMO CC1=C(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCO1 ZINC000182606136 822320188 /nfs/dbraw/zinc/32/01/88/822320188.db2.gz UATIEKVZALVGDZ-UHFFFAOYSA-N 1 1 383.319 4.158 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2ncco2)cc1)c1ccccc1Cl ZINC000182621506 822326082 /nfs/dbraw/zinc/32/60/82/822326082.db2.gz JEOAHLHSKHNCCP-GOSISDBHSA-N 1 1 384.867 4.419 20 0 GIADMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](Cc1ccc(CO)cc1)CC2 ZINC000182634316 822332555 /nfs/dbraw/zinc/33/25/55/822332555.db2.gz WUVZNEJIZBFDDF-QHCPKHFHSA-N 1 1 395.524 4.405 20 0 GIADMO C[C@H](NC(=O)NCc1csc(-c2ccccc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182642994 822335405 /nfs/dbraw/zinc/33/54/05/822335405.db2.gz SZSWTHYXNIURIG-WMZOPIPTSA-N 1 1 398.576 4.262 20 0 GIADMO CC(C)OCCOCc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000178164726 822338115 /nfs/dbraw/zinc/33/81/15/822338115.db2.gz VAOJSSTWWDNFCU-FQEVSTJZSA-N 1 1 388.552 4.221 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)ccc2F)c(OC)c1OC ZINC000178222916 822355818 /nfs/dbraw/zinc/35/58/18/822355818.db2.gz YFDQQCUAHLQDSB-NSHDSACASA-N 1 1 398.272 4.465 20 0 GIADMO C[C@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1Br ZINC000178231770 822356902 /nfs/dbraw/zinc/35/69/02/822356902.db2.gz CMKVVJDSTJHICS-AWEZNQCLSA-N 1 1 392.316 4.298 20 0 GIADMO Cc1ccc(OC(F)F)c(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182722832 822357822 /nfs/dbraw/zinc/35/78/22/822357822.db2.gz OTSARKKGJPUPDX-CVEARBPZSA-N 1 1 395.494 4.049 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)CCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000178245636 822358186 /nfs/dbraw/zinc/35/81/86/822358186.db2.gz SCOFQWMWCMNVPZ-HDICACEKSA-N 1 1 392.971 4.011 20 0 GIADMO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000453411095 822358888 /nfs/dbraw/zinc/35/88/88/822358888.db2.gz XFVBWNVZDBGGJO-CXAGYDPISA-N 1 1 394.334 4.327 20 0 GIADMO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCCO3)nnn1-c1ccc(Cl)cc1 ZINC000178268086 822361049 /nfs/dbraw/zinc/36/10/49/822361049.db2.gz IICSCEVCXJPPEE-ZIAGYGMSSA-N 1 1 398.894 4.412 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)nnn1-c1ccc(F)cc1 ZINC000178282015 822363000 /nfs/dbraw/zinc/36/30/00/822363000.db2.gz GURYJULGYKETAK-GFCCVEGCSA-N 1 1 376.382 4.167 20 0 GIADMO C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCCCC3)c2cccc(Br)c21 ZINC000178286760 822363389 /nfs/dbraw/zinc/36/33/89/822363389.db2.gz FCGYLUSJVQQMGY-SWLSCSKDSA-N 1 1 375.314 4.105 20 0 GIADMO Cc1nc2ccccc2nc1CNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000178297677 822364720 /nfs/dbraw/zinc/36/47/20/822364720.db2.gz OSRCUQTWCPYSMW-IRXDYDNUSA-N 1 1 376.504 4.160 20 0 GIADMO OC1CC[NH+](Cc2ccccc2CN[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178306913 822365650 /nfs/dbraw/zinc/36/56/50/822365650.db2.gz DSHOFFTYIPXTRS-OAQYLSRUSA-N 1 1 386.536 4.109 20 0 GIADMO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC)CC[N@H+]1Cc1ccccc1 ZINC000453452591 822365985 /nfs/dbraw/zinc/36/59/85/822365985.db2.gz PYJXWRNWUYKYEV-SFTDATJTSA-N 1 1 397.567 4.031 20 0 GIADMO C[N@@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000045156466 822367233 /nfs/dbraw/zinc/36/72/33/822367233.db2.gz BCFHQCIASUWGDM-IRLDBZIGSA-N 1 1 375.472 4.067 20 0 GIADMO C[N@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000045156466 822367236 /nfs/dbraw/zinc/36/72/36/822367236.db2.gz BCFHQCIASUWGDM-IRLDBZIGSA-N 1 1 375.472 4.067 20 0 GIADMO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000453469937 822371575 /nfs/dbraw/zinc/37/15/75/822371575.db2.gz WPVFQKABMLHBMP-ICSRJNTNSA-N 1 1 391.604 4.122 20 0 GIADMO C[C@H](NC(=O)N1CCC(OCC2CCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182843227 822377043 /nfs/dbraw/zinc/37/70/43/822377043.db2.gz VQRNCXVEBVUROJ-AZUAARDMSA-N 1 1 391.600 4.020 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc2oc(C3CC3)nc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182855421 822379732 /nfs/dbraw/zinc/37/97/32/822379732.db2.gz CBVAEHIWYHSPRZ-ZBFHGGJFSA-N 1 1 382.508 4.480 20 0 GIADMO C[C@@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182863036 822381460 /nfs/dbraw/zinc/38/14/60/822381460.db2.gz WBTLIAPGLQFAQD-YLJYHZDGSA-N 1 1 387.543 4.400 20 0 GIADMO CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182866158 822381915 /nfs/dbraw/zinc/38/19/15/822381915.db2.gz SJQYHHUWOZBELX-UKRRQHHQSA-N 1 1 392.931 4.073 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867001 822382138 /nfs/dbraw/zinc/38/21/38/822382138.db2.gz VRZKBQSKIPDNJZ-KBPBESRZSA-N 1 1 385.430 4.360 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CC[C@H](C)O3)n2CC(C)C)CC1 ZINC000453520414 822382396 /nfs/dbraw/zinc/38/23/96/822382396.db2.gz PNQOXBVAWUAPAZ-ICSRJNTNSA-N 1 1 391.604 4.122 20 0 GIADMO Cc1cc(Br)c(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)s1 ZINC000453567617 822385383 /nfs/dbraw/zinc/38/53/83/822385383.db2.gz WBVFSZLEVPNLBQ-UHFFFAOYSA-N 1 1 399.398 4.480 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182882461 822385467 /nfs/dbraw/zinc/38/54/67/822385467.db2.gz HDYJTJPXDOFNSO-GDBMZVCRSA-N 1 1 381.923 4.274 20 0 GIADMO Cc1cc(Br)c(CNc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000453579630 822387709 /nfs/dbraw/zinc/38/77/09/822387709.db2.gz POSLQZQXUXZVLX-UHFFFAOYSA-N 1 1 381.339 4.263 20 0 GIADMO C[C@@H](NC(=O)N(CCC(F)(F)F)CC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182896520 822388093 /nfs/dbraw/zinc/38/80/93/822388093.db2.gz VEXZBABMFZMDPB-ZBFHGGJFSA-N 1 1 375.479 4.013 20 0 GIADMO C[C@@H](NC(=O)N1CCc2ccc(Cl)cc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182897213 822388245 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380.536 4.188 20 0 GIADMO COc1cccc(CN(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000045780264 822412753 /nfs/dbraw/zinc/41/27/53/822412753.db2.gz LPSDAXTXDRXWNF-LJQANCHMSA-N 1 1 395.547 4.411 20 0 GIADMO Cn1cc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c(C2CCCCC2)n1 ZINC000183022499 822412900 /nfs/dbraw/zinc/41/29/00/822412900.db2.gz LVEQDZJMKDZGBS-UHFFFAOYSA-N 1 1 395.595 4.002 20 0 GIADMO Cn1cc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c(C2CCCCC2)n1 ZINC000183022499 822412902 /nfs/dbraw/zinc/41/29/02/822412902.db2.gz LVEQDZJMKDZGBS-UHFFFAOYSA-N 1 1 395.595 4.002 20 0 GIADMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178818230 822413447 /nfs/dbraw/zinc/41/34/47/822413447.db2.gz LEJGTTHTJBSCOQ-WCRBZPEASA-N 1 1 396.535 4.235 20 0 GIADMO C[N@@H+](Cc1nnc(-c2ccccc2)o1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178819131 822413654 /nfs/dbraw/zinc/41/36/54/822413654.db2.gz JJNWXHRXNBOFJT-JWTNVVGKSA-N 1 1 398.507 4.099 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000045788383 822413782 /nfs/dbraw/zinc/41/37/82/822413782.db2.gz BQGZQDYHAZSBFA-AUSIDOKSSA-N 1 1 392.547 4.360 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(C2CCCCC2)n1 ZINC000183032039 822414565 /nfs/dbraw/zinc/41/45/65/822414565.db2.gz JSLUMUDRWIDSQX-LJQANCHMSA-N 1 1 394.563 4.110 20 0 GIADMO COc1ccc(-c2noc(C[NH2+]C3(c4ccc(F)cc4)CCCC3)n2)c(OC)c1 ZINC000178831066 822414771 /nfs/dbraw/zinc/41/47/71/822414771.db2.gz DWSSAXXTHHRCIF-UHFFFAOYSA-N 1 1 397.450 4.452 20 0 GIADMO CC[N@@H+](Cc1cn(C)nc1C1CCCCC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000183046081 822417033 /nfs/dbraw/zinc/41/70/33/822417033.db2.gz PCEQPENQPOZMJU-UHFFFAOYSA-N 1 1 382.552 4.192 20 0 GIADMO O=C(Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1)N1CCCc2ccccc21 ZINC000183047629 822417276 /nfs/dbraw/zinc/41/72/76/822417276.db2.gz QGYGFLLOUJWXJK-XZOQPEGZSA-N 1 1 389.543 4.247 20 0 GIADMO c1nc(Nc2ncnc3c2cnn3-c2cc[nH+]cc2)sc1Cc1ccccc1 ZINC000178862307 822417340 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20 0 GIADMO FC(F)(F)Oc1cccc(CC[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000178912529 822421241 /nfs/dbraw/zinc/42/12/41/822421241.db2.gz XAVPONBLAPXNDY-INIZCTEOSA-N 1 1 390.409 4.050 20 0 GIADMO CCOc1cccc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)c1OC(F)F ZINC000183106958 822425370 /nfs/dbraw/zinc/42/53/70/822425370.db2.gz JIINBFRAZKLEEI-MRXNPFEDSA-N 1 1 387.373 4.442 20 0 GIADMO COc1cc(Cl)c(Cl)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178987898 822426722 /nfs/dbraw/zinc/42/67/22/822426722.db2.gz UGCGRCLVMKPZAA-SJKOYZFVSA-N 1 1 383.319 4.091 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000045973634 822428282 /nfs/dbraw/zinc/42/82/82/822428282.db2.gz HGUSJMFYXJPJHQ-AWEZNQCLSA-N 1 1 385.537 4.112 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000045980143 822429141 /nfs/dbraw/zinc/42/91/41/822429141.db2.gz VFBOUQITDBOLCJ-QGZVFWFLSA-N 1 1 394.519 4.341 20 0 GIADMO CC(C)c1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)nn1-c1ccccc1 ZINC000179006963 822429184 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4.301 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sc(-c2ccc(F)c(F)c2)nc1C ZINC000183175451 822435784 /nfs/dbraw/zinc/43/57/84/822435784.db2.gz UUVMODUAZPOGRN-CABCVRRESA-N 1 1 391.487 4.096 20 0 GIADMO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)c1 ZINC000183181336 822436823 /nfs/dbraw/zinc/43/68/23/822436823.db2.gz HCXDRLHBUSLUAV-VLIAUNLRSA-N 1 1 376.447 4.427 20 0 GIADMO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000179090358 822437030 /nfs/dbraw/zinc/43/70/30/822437030.db2.gz GTWYQZCWFRZOSK-WZONZLPQSA-N 1 1 391.515 4.492 20 0 GIADMO COc1cc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185298 822437464 /nfs/dbraw/zinc/43/74/64/822437464.db2.gz HKWCPJNUYKKQCL-IXDOHACOSA-N 1 1 376.541 4.016 20 0 GIADMO COc1cc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185298 822437466 /nfs/dbraw/zinc/43/74/66/822437466.db2.gz HKWCPJNUYKKQCL-IXDOHACOSA-N 1 1 376.541 4.016 20 0 GIADMO COCCOc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000183190940 822438762 /nfs/dbraw/zinc/43/87/62/822438762.db2.gz MSDPVXLURZEDRV-CMKODMSKSA-N 1 1 390.568 4.024 20 0 GIADMO COCCOc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000183190940 822438764 /nfs/dbraw/zinc/43/87/64/822438764.db2.gz MSDPVXLURZEDRV-CMKODMSKSA-N 1 1 390.568 4.024 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21)C1CCCCC1 ZINC000454217239 822439920 /nfs/dbraw/zinc/43/99/20/822439920.db2.gz ABYDXTIWSQFJFA-CTNGQTDRSA-N 1 1 385.552 4.340 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC000183198912 822440061 /nfs/dbraw/zinc/44/00/61/822440061.db2.gz PLHVTKAMJITPEJ-QKNQBKEWSA-N 1 1 396.579 4.244 20 0 GIADMO COc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC000183198912 822440063 /nfs/dbraw/zinc/44/00/63/822440063.db2.gz PLHVTKAMJITPEJ-QKNQBKEWSA-N 1 1 396.579 4.244 20 0 GIADMO COc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC000183198912 822440065 /nfs/dbraw/zinc/44/00/65/822440065.db2.gz PLHVTKAMJITPEJ-QKNQBKEWSA-N 1 1 396.579 4.244 20 0 GIADMO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183204166 822441325 /nfs/dbraw/zinc/44/13/25/822441325.db2.gz QFFPVJCCMOIEOI-ZDUSSCGKSA-N 1 1 391.397 4.350 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCC1(CF)CCOCC1)C1CCCCC1 ZINC000454232676 822441454 /nfs/dbraw/zinc/44/14/54/822441454.db2.gz VVRCGUVEZQXWIA-UHFFFAOYSA-N 1 1 391.531 4.339 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)C1 ZINC000183211098 822442234 /nfs/dbraw/zinc/44/22/34/822442234.db2.gz CSISIGUREOUJFL-CYBMUJFWSA-N 1 1 396.318 4.371 20 0 GIADMO CSC[C@@H](C)NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183224736 822444220 /nfs/dbraw/zinc/44/42/20/822444220.db2.gz CPSLLEAPYJRPJL-GFCCVEGCSA-N 1 1 390.380 4.009 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)cc2)CC1 ZINC000179153550 822444681 /nfs/dbraw/zinc/44/46/81/822444681.db2.gz SWTHIMNFVHXPOQ-JOCHJYFZSA-N 1 1 395.547 4.323 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000179175875 822447247 /nfs/dbraw/zinc/44/72/47/822447247.db2.gz DHTNGPQMNUSGFC-LDQXTDLNSA-N 1 1 390.487 4.147 20 0 GIADMO CO[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1(C)C ZINC000454274404 822448127 /nfs/dbraw/zinc/44/81/27/822448127.db2.gz VRNWIOBRVYDCIA-RXVVDRJESA-N 1 1 387.568 4.018 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)cc1OCc1cccnc1 ZINC000183249115 822448382 /nfs/dbraw/zinc/44/83/82/822448382.db2.gz ZRWAJAUXRXHDMM-INIZCTEOSA-N 1 1 383.517 4.361 20 0 GIADMO C[C@@H](C[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1)c1nccs1 ZINC000183260769 822450058 /nfs/dbraw/zinc/45/00/58/822450058.db2.gz ACXZPCJCFPGHEJ-LBPRGKRZSA-N 1 1 379.323 4.417 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)/C=C/SCc3ccco3)CC[N@H+]2C2CC2)c1 ZINC000183277053 822452634 /nfs/dbraw/zinc/45/26/34/822452634.db2.gz BSZROMOGMHFGNK-HMEQAMLRSA-N 1 1 398.528 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C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)C1 ZINC000454326950 822458173 /nfs/dbraw/zinc/45/81/73/822458173.db2.gz OGXDZQKBBHFVGX-VVLHAWIVSA-N 1 1 377.495 4.117 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000179275326 822460066 /nfs/dbraw/zinc/46/00/66/822460066.db2.gz PDLQWGORSKFDAG-VDZJLULYSA-N 1 1 386.565 4.162 20 0 GIADMO CCn1cc([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000454355859 822461250 /nfs/dbraw/zinc/46/12/50/822461250.db2.gz ATSLJEJCGPNOBK-SFHVURJKSA-N 1 1 397.567 4.228 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000046341942 822463333 /nfs/dbraw/zinc/46/33/33/822463333.db2.gz KQEZTCQEFAWAKN-HDICACEKSA-N 1 1 391.515 4.348 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000046341942 822463336 /nfs/dbraw/zinc/46/33/36/822463336.db2.gz KQEZTCQEFAWAKN-HDICACEKSA-N 1 1 391.515 4.348 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCCOc2ccccc2)C[C@H](C)O1 ZINC000046342185 822463567 /nfs/dbraw/zinc/46/35/67/822463567.db2.gz MVOGLNTYZJXUJR-KDURUIRLSA-N 1 1 382.504 4.094 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCCOc2ccccc2)C[C@H](C)O1 ZINC000046342185 822463569 /nfs/dbraw/zinc/46/35/69/822463569.db2.gz MVOGLNTYZJXUJR-KDURUIRLSA-N 1 1 382.504 4.094 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cnc3ccc(F)cc3c2)CC1 ZINC000179310747 822464403 /nfs/dbraw/zinc/46/44/03/822464403.db2.gz BRDQCLGXYQKPPP-UHFFFAOYSA-N 1 1 391.490 4.358 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)cc1F ZINC000454372509 822464448 /nfs/dbraw/zinc/46/44/48/822464448.db2.gz FNLHVEBWYZWXGD-DOMZBBRYSA-N 1 1 398.404 4.192 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000179318102 822465310 /nfs/dbraw/zinc/46/53/10/822465310.db2.gz KHISBUUCVNQVSN-LLVKDONJSA-N 1 1 390.281 4.075 20 0 GIADMO CCOc1ccc([C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c2cccc(Cl)c2)cc1 ZINC000183381213 822466377 /nfs/dbraw/zinc/46/63/77/822466377.db2.gz YMQKPADYJKBJSF-FOIQADDNSA-N 1 1 395.952 4.241 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000046372762 822467003 /nfs/dbraw/zinc/46/70/03/822467003.db2.gz DOVQKDOGMAISGY-GOSISDBHSA-N 1 1 383.540 4.051 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cc1F ZINC000454396291 822468643 /nfs/dbraw/zinc/46/86/43/822468643.db2.gz UBFMFQHBXAEYNW-FQEVSTJZSA-N 1 1 394.450 4.350 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(CN[C@H](c3ccco3)c3ccccc3)c2)CCO1 ZINC000183404778 822468945 /nfs/dbraw/zinc/46/89/45/822468945.db2.gz ALQJMNFZZRVCME-DVECYGJZSA-N 1 1 376.500 4.380 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(CN[C@H](c3ccco3)c3ccccc3)c2)CCO1 ZINC000183404778 822468949 /nfs/dbraw/zinc/46/89/49/822468949.db2.gz ALQJMNFZZRVCME-DVECYGJZSA-N 1 1 376.500 4.380 20 0 GIADMO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H](c3ccco3)c3ccccc3)c2)CCO1 ZINC000183404778 822468952 /nfs/dbraw/zinc/46/89/52/822468952.db2.gz ALQJMNFZZRVCME-DVECYGJZSA-N 1 1 376.500 4.380 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000046403878 822470360 /nfs/dbraw/zinc/47/03/60/822470360.db2.gz LFSXMWVEAREPIU-UHFFFAOYSA-N 1 1 392.330 4.317 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000046403876 822470398 /nfs/dbraw/zinc/47/03/98/822470398.db2.gz ZGIOOUIKMPIOMA-UHFFFAOYSA-N 1 1 378.303 4.388 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)CC1 ZINC000046403837 822470464 /nfs/dbraw/zinc/47/04/64/822470464.db2.gz JQCFUQRGXQUBKG-UHFFFAOYSA-N 1 1 390.531 4.271 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)s3)cc2)CC1 ZINC000046404063 822470587 /nfs/dbraw/zinc/47/05/87/822470587.db2.gz IHVUQRZUNPSDSV-CSKARUKUSA-N 1 1 375.925 4.195 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1 ZINC000183415873 822471196 /nfs/dbraw/zinc/47/11/96/822471196.db2.gz OGCAXKUYLGHMBU-ZDUSSCGKSA-N 1 1 382.851 4.077 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC[C@@H]1CCCCC1(F)F ZINC000454415887 822471904 /nfs/dbraw/zinc/47/19/04/822471904.db2.gz VOXKUUPLYVPWQP-CVEARBPZSA-N 1 1 385.524 4.085 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454423378 822473034 /nfs/dbraw/zinc/47/30/34/822473034.db2.gz DAOYJKVTEWYYFR-IRLDBZIGSA-N 1 1 393.531 4.081 20 0 GIADMO COc1ccc(C(=O)C2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000179404963 822478027 /nfs/dbraw/zinc/47/80/27/822478027.db2.gz AZDIOYYOYKJIPB-UHFFFAOYSA-N 1 1 389.499 4.035 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000183474900 822481192 /nfs/dbraw/zinc/48/11/92/822481192.db2.gz AGQRMBKRFZNALJ-ZDUSSCGKSA-N 1 1 375.440 4.295 20 0 GIADMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000179449001 822484674 /nfs/dbraw/zinc/48/46/74/822484674.db2.gz UFDNNSGARACZEU-QGZVFWFLSA-N 1 1 384.524 4.074 20 0 GIADMO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000183492698 822484995 /nfs/dbraw/zinc/48/49/95/822484995.db2.gz YLVDDXXVUVHWPG-QFIPXVFZSA-N 1 1 393.556 4.282 20 0 GIADMO O=C(CC[NH+]1CCN(c2ccccc2Cl)CC1)Nc1ccccc1Cl ZINC000046551484 822485295 /nfs/dbraw/zinc/48/52/95/822485295.db2.gz ZTYWMOGKUOVDGP-UHFFFAOYSA-N 1 1 378.303 4.144 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179460021 822486161 /nfs/dbraw/zinc/48/61/61/822486161.db2.gz UTCSIQGIUZRKDY-FGZHOGPDSA-N 1 1 378.520 4.162 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](CO)C2CCCCC2)c1 ZINC000454507386 822486893 /nfs/dbraw/zinc/48/68/93/822486893.db2.gz LEMFXAVXHJMIGR-FQEVSTJZSA-N 1 1 398.551 4.365 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(OCC(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000179479029 822488491 /nfs/dbraw/zinc/48/84/91/822488491.db2.gz ORJJKFZBRBDMCE-ROUUACIJSA-N 1 1 393.409 4.195 20 0 GIADMO C[C@H](NC(=O)Nc1cc(F)ccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183516955 822488855 /nfs/dbraw/zinc/48/88/55/822488855.db2.gz SZTJWVFBIPJUCB-STQMWFEESA-N 1 1 398.320 4.363 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3C)CC2)[nH+]1 ZINC000454516454 822489241 /nfs/dbraw/zinc/48/92/41/822489241.db2.gz DWPLKJDIPMQHLK-OAQYLSRUSA-N 1 1 396.510 4.353 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C2CC2)n1 ZINC000183523226 822489513 /nfs/dbraw/zinc/48/95/13/822489513.db2.gz BSORHDWEDAURHM-UGSOOPFHSA-N 1 1 377.941 4.365 20 0 GIADMO CC[C@H]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000454517623 822489524 /nfs/dbraw/zinc/48/95/24/822489524.db2.gz VBVVPRAJWCJNNX-VQTJNVASSA-N 1 1 390.572 4.019 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C2CC2)n1 ZINC000183523203 822489616 /nfs/dbraw/zinc/48/96/16/822489616.db2.gz BSORHDWEDAURHM-SCLBCKFNSA-N 1 1 377.941 4.365 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179504619 822492723 /nfs/dbraw/zinc/49/27/23/822492723.db2.gz VOAYLTNAMVPZLJ-OAHLLOKOSA-N 1 1 395.532 4.194 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cs1 ZINC000179504619 822492724 /nfs/dbraw/zinc/49/27/24/822492724.db2.gz VOAYLTNAMVPZLJ-OAHLLOKOSA-N 1 1 395.532 4.194 20 0 GIADMO COc1ccc(-c2noc(C[NH2+]C3(c4ccccc4)CCCC3)n2)c(OC)c1 ZINC000183547320 822493131 /nfs/dbraw/zinc/49/31/31/822493131.db2.gz NLYRFGPAXQEONV-UHFFFAOYSA-N 1 1 379.460 4.313 20 0 GIADMO C[NH+](C)CCOc1cc(CN[C@@H]2CC3(CCCCC3)Oc3ccccc32)ccn1 ZINC000179509530 822493344 /nfs/dbraw/zinc/49/33/44/822493344.db2.gz PZTJXIPIRIREMD-OAQYLSRUSA-N 1 1 395.547 4.338 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccccc1CN1CCc2ccccc21)C1CC1 ZINC000454546872 822494935 /nfs/dbraw/zinc/49/49/35/822494935.db2.gz XFWAOHGGHMFMNP-UHFFFAOYSA-N 1 1 392.547 4.245 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C2CC2)n1 ZINC000183565881 822495513 /nfs/dbraw/zinc/49/55/13/822495513.db2.gz QIOJLCZDHNXLHB-HOTGVXAUSA-N 1 1 379.888 4.090 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000179535583 822499125 /nfs/dbraw/zinc/49/91/25/822499125.db2.gz KLPAYRATEGTSNI-UHFFFAOYSA-N 1 1 397.438 4.080 20 0 GIADMO CC(C)([NH2+]Cc1cn(Cc2cccnc2)nn1)c1ccc(Cl)c(Cl)c1 ZINC000183597575 822499166 /nfs/dbraw/zinc/49/91/66/822499166.db2.gz PQRQQBBMLQCVKM-UHFFFAOYSA-N 1 1 376.291 4.053 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1)CC(F)(F)F ZINC000183602142 822499927 /nfs/dbraw/zinc/49/99/27/822499927.db2.gz YUOQDGOWPGDDMM-NSHDSACASA-N 1 1 389.409 4.176 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c(F)c1 ZINC000179556090 822503092 /nfs/dbraw/zinc/50/30/92/822503092.db2.gz SEKSZPRVJBXBDN-SZFUDVHCSA-N 1 1 392.902 4.210 20 0 GIADMO COCCn1ccc2ccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc21 ZINC000183651961 822506368 /nfs/dbraw/zinc/50/63/68/822506368.db2.gz YOOOQRGWMRNZBO-PKOBYXMFSA-N 1 1 398.551 4.062 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CCO)C(C)(C)C)cs1)c1cccc(C)c1C ZINC000183658276 822506950 /nfs/dbraw/zinc/50/69/50/822506950.db2.gz KUNHMLSLGZAWNF-IBGZPJMESA-N 1 1 389.565 4.331 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2cccc(N3CCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454620062 822507737 /nfs/dbraw/zinc/50/77/37/822507737.db2.gz OSVRYAPNWXTYHU-FQEVSTJZSA-N 1 1 392.547 4.273 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+](C)Cc2ccccc2OC)c1 ZINC000179588660 822507878 /nfs/dbraw/zinc/50/78/78/822507878.db2.gz SICZQAWZQOQTJM-UHFFFAOYSA-N 1 1 378.472 4.310 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@@H+](C)Cc2ccccc2OC)c1 ZINC000179588660 822507880 /nfs/dbraw/zinc/50/78/80/822507880.db2.gz SICZQAWZQOQTJM-UHFFFAOYSA-N 1 1 378.472 4.310 20 0 GIADMO CC(C)C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCCC2)C(=O)Nc1nccs1 ZINC000179599945 822510292 /nfs/dbraw/zinc/51/02/92/822510292.db2.gz FHBAHDVPXCIGPA-TZMCWYRMSA-N 1 1 378.567 4.182 20 0 GIADMO CCOc1ccc([C@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000046750894 822512878 /nfs/dbraw/zinc/51/28/78/822512878.db2.gz QLODCVQZYVWBQY-ROUUACIJSA-N 1 1 391.556 4.109 20 0 GIADMO CCCC[N@H+](Cc1ccc(-c2ccccc2OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179613555 822513037 /nfs/dbraw/zinc/51/30/37/822513037.db2.gz BFLFUALPCRBZIH-HXUWFJFHSA-N 1 1 387.545 4.151 20 0 GIADMO CCCC[N@@H+](Cc1ccc(-c2ccccc2OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000179613555 822513040 /nfs/dbraw/zinc/51/30/40/822513040.db2.gz BFLFUALPCRBZIH-HXUWFJFHSA-N 1 1 387.545 4.151 20 0 GIADMO Cc1csc(Sc2ccc(NC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)c(C)c2)n1 ZINC000454657350 822513087 /nfs/dbraw/zinc/51/30/87/822513087.db2.gz GAXCUGVVXHGRJD-PBHICJAKSA-N 1 1 388.562 4.079 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)Cc1ccc(Br)cc1 ZINC000046751327 822513133 /nfs/dbraw/zinc/51/31/33/822513133.db2.gz RPLMCEPXQDRCOV-INIZCTEOSA-N 1 1 396.373 4.245 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)Cc2ccccc2Br)C1 ZINC000046752859 822513263 /nfs/dbraw/zinc/51/32/63/822513263.db2.gz UXNFWVHNLFLYNS-MRXNPFEDSA-N 1 1 396.373 4.103 20 0 GIADMO CCCC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179614530 822513348 /nfs/dbraw/zinc/51/33/48/822513348.db2.gz PZLUYRZZCOTNFW-CYBMUJFWSA-N 1 1 383.863 4.148 20 0 GIADMO CCCC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179614530 822513352 /nfs/dbraw/zinc/51/33/52/822513352.db2.gz PZLUYRZZCOTNFW-CYBMUJFWSA-N 1 1 383.863 4.148 20 0 GIADMO Cc1csc2nc(C[NH2+][C@@H](C)c3sc(-c4ccccc4)nc3C)cc(=O)n12 ZINC000183717600 822516173 /nfs/dbraw/zinc/51/61/73/822516173.db2.gz QHNCLPFREAZPQO-ZDUSSCGKSA-N 1 1 396.541 4.347 20 0 GIADMO FC(F)Oc1ccc(Cl)cc1C[NH2+]Cc1cncc(Br)c1 ZINC000183724521 822517122 /nfs/dbraw/zinc/51/71/22/822517122.db2.gz DDXKDWWQOZRUJU-UHFFFAOYSA-N 1 1 377.616 4.389 20 0 GIADMO COc1ccc(CCC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1F ZINC000046809859 822519683 /nfs/dbraw/zinc/51/96/83/822519683.db2.gz AOMGQPCANDGVEN-SFHVURJKSA-N 1 1 398.522 4.458 20 0 GIADMO Cc1ccc(NC(=O)C[NH2+]C2(c3ccccc3F)CC2)c(Br)c1 ZINC000179656742 822521589 /nfs/dbraw/zinc/52/15/89/822521589.db2.gz SATBAPKTFMQMDD-UHFFFAOYSA-N 1 1 377.257 4.114 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(F)ccc3C)CC[N@H+]2C2CC2)c1 ZINC000183762771 822524253 /nfs/dbraw/zinc/52/42/53/822524253.db2.gz XKVUHHHGZSVGFQ-TZIWHRDSSA-N 1 1 383.467 4.242 20 0 GIADMO Cc1csc(CNC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000454743354 822526775 /nfs/dbraw/zinc/52/67/75/822526775.db2.gz UNZMOQCYOHNULX-KBXCAEBGSA-N 1 1 395.931 4.341 20 0 GIADMO COC(=O)c1oc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cc1C ZINC000179693035 822528671 /nfs/dbraw/zinc/52/86/71/822528671.db2.gz YUWPJMAMYVDLCT-MRXNPFEDSA-N 1 1 380.444 4.199 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nnc4ccccn42)CCC3)cc1 ZINC000183797466 822529334 /nfs/dbraw/zinc/52/93/34/822529334.db2.gz KWCYTTVXZSZPMA-MRXNPFEDSA-N 1 1 375.501 4.328 20 0 GIADMO C[C@H](NC(=O)N1CCC(F)(Cc2ccc(Cl)cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000454766274 822530193 /nfs/dbraw/zinc/53/01/93/822530193.db2.gz GPIRPVUNPFDWRE-INIZCTEOSA-N 1 1 393.934 4.047 20 0 GIADMO CSCC1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000454767514 822530331 /nfs/dbraw/zinc/53/03/31/822530331.db2.gz KYOFABWTAHVJMQ-RCKXYERXSA-N 1 1 389.609 4.118 20 0 GIADMO COc1ccc(CC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000046934204 822532363 /nfs/dbraw/zinc/53/23/63/822532363.db2.gz QMAKZGCBQUTMKX-QGZVFWFLSA-N 1 1 382.504 4.117 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCNC(=O)c3ccccc3)cc2)C1 ZINC000046934681 822532600 /nfs/dbraw/zinc/53/26/00/822532600.db2.gz BZAKHGKIAJDDPF-IBGZPJMESA-N 1 1 393.531 4.067 20 0 GIADMO C[C@H](NC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000454780677 822532749 /nfs/dbraw/zinc/53/27/49/822532749.db2.gz USXINXZNDVXSBE-RVSPLBMKSA-N 1 1 382.335 4.047 20 0 GIADMO C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCC[C@H](C)C1 ZINC000046952420 822533661 /nfs/dbraw/zinc/53/36/61/822533661.db2.gz MMSYAMDOIFPMCT-HOTGVXAUSA-N 1 1 389.927 4.164 20 0 GIADMO Cc1ccccc1COc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000183842784 822534787 /nfs/dbraw/zinc/53/47/87/822534787.db2.gz LYJKSDKEDNHCQI-GOSISDBHSA-N 1 1 376.504 4.353 20 0 GIADMO CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000179720031 822534983 /nfs/dbraw/zinc/53/49/83/822534983.db2.gz DTYFZEIGGABORJ-UHFFFAOYSA-N 1 1 383.517 4.332 20 0 GIADMO CC[C@@H]([NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccccc1OC(F)F ZINC000179724042 822535577 /nfs/dbraw/zinc/53/55/77/822535577.db2.gz KXNKZDIZRWERLV-CYBMUJFWSA-N 1 1 393.459 4.444 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000046988397 822536084 /nfs/dbraw/zinc/53/60/84/822536084.db2.gz OVAKNSYEIKCJIT-HNNXBMFYSA-N 1 1 375.538 4.025 20 0 GIADMO Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]Cc1nnc3n1CCCC3)CCC2 ZINC000183861775 822537449 /nfs/dbraw/zinc/53/74/49/822537449.db2.gz CVZLTKARMMBMIM-HNNXBMFYSA-N 1 1 383.496 4.044 20 0 GIADMO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000179734654 822538222 /nfs/dbraw/zinc/53/82/22/822538222.db2.gz SDHDDUFWWAQTTD-CABCVRRESA-N 1 1 384.501 4.430 20 0 GIADMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000179734654 822538225 /nfs/dbraw/zinc/53/82/25/822538225.db2.gz SDHDDUFWWAQTTD-CABCVRRESA-N 1 1 384.501 4.430 20 0 GIADMO COc1ccc(C[NH2+][C@H](CCCO)c2ccccc2)c(Br)c1OC ZINC000179736102 822538730 /nfs/dbraw/zinc/53/87/30/822538730.db2.gz NVNYFFQWFSPJJJ-MRXNPFEDSA-N 1 1 394.309 4.070 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000047039662 822539133 /nfs/dbraw/zinc/53/91/33/822539133.db2.gz HCQWMDJMQVHLFR-HDICACEKSA-N 1 1 385.577 4.227 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000179739030 822539679 /nfs/dbraw/zinc/53/96/79/822539679.db2.gz ASPZRXDUOJCYPL-SFHVURJKSA-N 1 1 397.519 4.007 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3CCCc4ccc(C)cc43)CC2)cs1 ZINC000179749239 822542176 /nfs/dbraw/zinc/54/21/76/822542176.db2.gz DPOPJBWEJIRZCV-OAQYLSRUSA-N 1 1 383.561 4.166 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000179750422 822542680 /nfs/dbraw/zinc/54/26/80/822542680.db2.gz KSGBQLWHWDNONH-UHFFFAOYSA-N 1 1 394.412 4.373 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc2ncccc2c1 ZINC000179755649 822543880 /nfs/dbraw/zinc/54/38/80/822543880.db2.gz HDHUOYLEQNDZNT-OAQYLSRUSA-N 1 1 389.499 4.067 20 0 GIADMO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762664 822546323 /nfs/dbraw/zinc/54/63/23/822546323.db2.gz YVGCFFBXDPYYIF-AWEZNQCLSA-N 1 1 395.894 4.120 20 0 GIADMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000179767811 822548422 /nfs/dbraw/zinc/54/84/22/822548422.db2.gz APOHZESQXMKJHK-UHFFFAOYSA-N 1 1 396.384 4.401 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)C1 ZINC000047187826 822552558 /nfs/dbraw/zinc/55/25/58/822552558.db2.gz XZAILBPORCMFPQ-IBGZPJMESA-N 1 1 393.531 4.181 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000047187876 822552621 /nfs/dbraw/zinc/55/26/21/822552621.db2.gz VYBWFSWOAALGJP-KRWDZBQOSA-N 1 1 399.560 4.242 20 0 GIADMO Cc1ncc(C[N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)s1 ZINC000179790615 822553588 /nfs/dbraw/zinc/55/35/88/822553588.db2.gz ICHLXOLLVKTFCS-UHFFFAOYSA-N 1 1 377.254 4.447 20 0 GIADMO Cc1ncc(C[N@H+](C)Cc2ccc(OC(F)F)c(Br)c2)s1 ZINC000179790615 822553590 /nfs/dbraw/zinc/55/35/90/822553590.db2.gz ICHLXOLLVKTFCS-UHFFFAOYSA-N 1 1 377.254 4.447 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1 ZINC000183988720 822558923 /nfs/dbraw/zinc/55/89/23/822558923.db2.gz KERDULLODKJWJN-SFHVURJKSA-N 1 1 391.519 4.221 20 0 GIADMO CC(C)[C@@H]([NH2+]CCOc1ccc(OC(F)(F)F)cc1)c1nc(C2CC2)no1 ZINC000179822010 822559805 /nfs/dbraw/zinc/55/98/05/822559805.db2.gz PFABBEDWAKDKOK-OAHLLOKOSA-N 1 1 385.386 4.211 20 0 GIADMO C[C@H](c1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1)C(F)(F)F ZINC000454946863 822561495 /nfs/dbraw/zinc/56/14/95/822561495.db2.gz GWUUQLVRTCOOPV-CYBMUJFWSA-N 1 1 382.451 4.202 20 0 GIADMO C[C@H](c1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1)C(F)(F)F ZINC000454946863 822561498 /nfs/dbraw/zinc/56/14/98/822561498.db2.gz GWUUQLVRTCOOPV-CYBMUJFWSA-N 1 1 382.451 4.202 20 0 GIADMO Cc1cc(CNC(=O)N[C@@H]2CCCc3c(F)cccc32)cc(N2CCCC2)[nH+]1 ZINC000454967691 822564278 /nfs/dbraw/zinc/56/42/78/822564278.db2.gz GYBCZNLOZXTDAR-HXUWFJFHSA-N 1 1 382.483 4.006 20 0 GIADMO C[C@H](C[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1)c1nccs1 ZINC000184016501 822564633 /nfs/dbraw/zinc/56/46/33/822564633.db2.gz ARINKPUTMQHIRG-SECBINFHSA-N 1 1 399.339 4.253 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1)c1nccs1 ZINC000184016501 822564635 /nfs/dbraw/zinc/56/46/35/822564635.db2.gz ARINKPUTMQHIRG-SECBINFHSA-N 1 1 399.339 4.253 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)cn1 ZINC000184017576 822564999 /nfs/dbraw/zinc/56/49/99/822564999.db2.gz YQRHAXNPQZBWTC-KSFYIVLOSA-N 1 1 389.503 4.089 20 0 GIADMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000179848065 822565814 /nfs/dbraw/zinc/56/58/14/822565814.db2.gz LJYMRGFCPYUFQP-UHFFFAOYSA-N 1 1 395.532 4.059 20 0 GIADMO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000455011028 822570229 /nfs/dbraw/zinc/57/02/29/822570229.db2.gz OBCYGGNEXRWXPB-SFHVURJKSA-N 1 1 394.563 4.355 20 0 GIADMO COc1ccc(C(=O)C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000179881947 822570925 /nfs/dbraw/zinc/57/09/25/822570925.db2.gz QERJHGOOTHZLNF-UHFFFAOYSA-N 1 1 375.472 4.180 20 0 GIADMO Cc1ccnc(Oc2cc(NC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)ccc2C)c1 ZINC000179881752 822570957 /nfs/dbraw/zinc/57/09/57/822570957.db2.gz BSWPSWOUIAVOCK-HKUYNNGSSA-N 1 1 380.492 4.191 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cn1 ZINC000047385314 822573334 /nfs/dbraw/zinc/57/33/34/822573334.db2.gz GXIPMRPJGOASOF-UHFFFAOYSA-N 1 1 396.450 4.367 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000179906456 822574561 /nfs/dbraw/zinc/57/45/61/822574561.db2.gz JBUHFTMKTOZEQK-LAUBAEHRSA-N 1 1 396.531 4.060 20 0 GIADMO COc1ccc(C[N@H+](Cc2nc(C(F)(F)F)cs2)[C@H](CO)C(C)C)cc1 ZINC000179925533 822578173 /nfs/dbraw/zinc/57/81/73/822578173.db2.gz BSKDZPVSQHUZBL-OAHLLOKOSA-N 1 1 388.455 4.190 20 0 GIADMO COc1ccc(C[N@@H+](Cc2nc(C(F)(F)F)cs2)[C@H](CO)C(C)C)cc1 ZINC000179925533 822578174 /nfs/dbraw/zinc/57/81/74/822578174.db2.gz BSKDZPVSQHUZBL-OAHLLOKOSA-N 1 1 388.455 4.190 20 0 GIADMO CCC[N@@H+](Cc1cn(C)nc1C(C)(C)C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000179935731 822580413 /nfs/dbraw/zinc/58/04/13/822580413.db2.gz YDSOIVSKVZZHPZ-UHFFFAOYSA-N 1 1 396.579 4.234 20 0 GIADMO CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000455052679 822581139 /nfs/dbraw/zinc/58/11/39/822581139.db2.gz OUZXSCVAMGAIBK-UHFFFAOYSA-N 1 1 380.920 4.075 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)cc1 ZINC000179948424 822583522 /nfs/dbraw/zinc/58/35/22/822583522.db2.gz LWLBSJBMOGNOGD-GFCCVEGCSA-N 1 1 387.423 4.072 20 0 GIADMO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000184136059 822584123 /nfs/dbraw/zinc/58/41/23/822584123.db2.gz PTDIHNXRKAIWGD-UHFFFAOYSA-N 1 1 395.507 4.197 20 0 GIADMO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)CC)cc1 ZINC000179950117 822584212 /nfs/dbraw/zinc/58/42/12/822584212.db2.gz NMSIOEQGYCLFPA-AWEZNQCLSA-N 1 1 381.925 4.383 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000179954920 822585265 /nfs/dbraw/zinc/58/52/65/822585265.db2.gz QXORICDCESEBBZ-JOCHJYFZSA-N 1 1 383.488 4.499 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2c(F)cc(F)cc2F)[C@H]1c1cccs1 ZINC000455075432 822585616 /nfs/dbraw/zinc/58/56/16/822585616.db2.gz FEQIIHYGOIXNHC-SGTLLEGYSA-N 1 1 397.466 4.048 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CCC[C@H]2CF)cc1)C[C@H]1CCCCO1 ZINC000455079613 822586384 /nfs/dbraw/zinc/58/63/84/822586384.db2.gz TZCRVNZTRMSMQP-LEWJYISDSA-N 1 1 391.531 4.432 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)C2)C1 ZINC000455099627 822588686 /nfs/dbraw/zinc/58/86/86/822588686.db2.gz GKIVZKUWKJIULL-FQEVSTJZSA-N 1 1 381.467 4.092 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCc3ccc(O)cc3C2)c1 ZINC000047571373 822592515 /nfs/dbraw/zinc/59/25/15/822592515.db2.gz ARBNZCODAAKVSO-UHFFFAOYSA-N 1 1 390.487 4.351 20 0 GIADMO CC(F)(F)CCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455124363 822592582 /nfs/dbraw/zinc/59/25/82/822592582.db2.gz CXTYRADERJDYEP-OAQYLSRUSA-N 1 1 379.495 4.120 20 0 GIADMO CC(F)(F)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455126864 822593072 /nfs/dbraw/zinc/59/30/72/822593072.db2.gz MSOMYHQPWJVNFX-RBUKOAKNSA-N 1 1 379.495 4.118 20 0 GIADMO COc1cc2c(cc1C[NH2+][C@@H](C)c1nc3ccc(Cl)cc3n1C)O[C@@H](C)C2 ZINC000180005543 822594339 /nfs/dbraw/zinc/59/43/39/822594339.db2.gz JMSALIOILDNNOF-STQMWFEESA-N 1 1 385.895 4.410 20 0 GIADMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180011436 822595953 /nfs/dbraw/zinc/59/59/53/822595953.db2.gz HZSOXUYPXINELP-IRXDYDNUSA-N 1 1 387.549 4.194 20 0 GIADMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180011436 822595955 /nfs/dbraw/zinc/59/59/55/822595955.db2.gz HZSOXUYPXINELP-IRXDYDNUSA-N 1 1 387.549 4.194 20 0 GIADMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(-c4cccc(F)c4)n3)ccc2NC1=O ZINC000180019180 822597886 /nfs/dbraw/zinc/59/78/86/822597886.db2.gz GGVPHZLDCKIXNT-YJYMSZOUSA-N 1 1 395.434 4.441 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000184218983 822597954 /nfs/dbraw/zinc/59/79/54/822597954.db2.gz DYKNKEGLOQOTFT-KRWDZBQOSA-N 1 1 377.506 4.069 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000184218983 822597957 /nfs/dbraw/zinc/59/79/57/822597957.db2.gz DYKNKEGLOQOTFT-KRWDZBQOSA-N 1 1 377.506 4.069 20 0 GIADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3scnc3C3CCCC3)CC2)cc1 ZINC000184221134 822598438 /nfs/dbraw/zinc/59/84/38/822598438.db2.gz JOACYELLNJOWTI-UHFFFAOYSA-N 1 1 399.560 4.157 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3scnc3C3CCCC3)CC2)cc1 ZINC000184221134 822598440 /nfs/dbraw/zinc/59/84/40/822598440.db2.gz JOACYELLNJOWTI-UHFFFAOYSA-N 1 1 399.560 4.157 20 0 GIADMO C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180024629 822599255 /nfs/dbraw/zinc/59/92/55/822599255.db2.gz HQFFHVCXPDSHHK-OAHLLOKOSA-N 1 1 383.927 4.463 20 0 GIADMO COc1ccc(CNc2[nH+]c3cc(F)ccc3n2C)cc1OCc1cccnc1 ZINC000184255112 822603895 /nfs/dbraw/zinc/60/38/95/822603895.db2.gz SDUPXJWUKKYFFG-UHFFFAOYSA-N 1 1 392.434 4.307 20 0 GIADMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H](C)c1ccc(Br)s1 ZINC000180048158 822603951 /nfs/dbraw/zinc/60/39/51/822603951.db2.gz NSEZMNNOVWOJTC-LBPRGKRZSA-N 1 1 382.327 4.224 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1Br ZINC000455190268 822604492 /nfs/dbraw/zinc/60/44/92/822604492.db2.gz HDUVZMDXSOMYKQ-SFHVURJKSA-N 1 1 380.330 4.016 20 0 GIADMO COc1cc([C@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1S(C)(=O)=O ZINC000180060345 822606441 /nfs/dbraw/zinc/60/64/41/822606441.db2.gz UIWUPTAPIVWIKZ-ZDUSSCGKSA-N 1 1 399.516 4.036 20 0 GIADMO C[C@H](C[S@@](C)=O)[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000184282668 822608168 /nfs/dbraw/zinc/60/81/68/822608168.db2.gz APZBSHXAVTUTKX-XUTBRHNUSA-N 1 1 384.314 4.034 20 0 GIADMO CCOc1cccc2cc([C@H](C)NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)oc21 ZINC000047792283 822609460 /nfs/dbraw/zinc/60/94/60/822609460.db2.gz MCBXVXNLMMJAAS-HOCLYGCPSA-N 1 1 385.464 4.088 20 0 GIADMO Clc1ccccc1[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000180094841 822614286 /nfs/dbraw/zinc/61/42/86/822614286.db2.gz BADJVLHPXRXTKR-WAIKUNEKSA-N 1 1 398.934 4.275 20 0 GIADMO O=C(Cc1cccc(O)c1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184324120 822615207 /nfs/dbraw/zinc/61/52/07/822615207.db2.gz OXMHKFVJHGMCHF-UHFFFAOYSA-N 1 1 393.314 4.022 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2scnc2C2CCCC2)cc1F ZINC000184324354 822615215 /nfs/dbraw/zinc/61/52/15/822615215.db2.gz WUTQBDOOWSWSIX-UHFFFAOYSA-N 1 1 384.480 4.364 20 0 GIADMO CN(C)Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3Br)ccc1F ZINC000180113314 822617920 /nfs/dbraw/zinc/61/79/20/822617920.db2.gz PKTHWQWDJJQMTJ-LJQANCHMSA-N 1 1 377.301 4.427 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2nc3ccc(Cl)cc3n2C)[C@H](C)C1 ZINC000180114612 822618134 /nfs/dbraw/zinc/61/81/34/822618134.db2.gz KLGVUXOPLPLVSK-RYRKJORJSA-N 1 1 392.975 4.014 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(SC)cc1)[NH+](C)C ZINC000047914698 822619139 /nfs/dbraw/zinc/61/91/39/822619139.db2.gz GKLSGPKFHRFMPA-HNAYVOBHSA-N 1 1 387.549 4.080 20 0 GIADMO CC[C@H]1C[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCO1 ZINC000180124134 822620277 /nfs/dbraw/zinc/62/02/77/822620277.db2.gz XCOYIUBDZJHZAT-WBVHZDCISA-N 1 1 399.362 4.279 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000180134106 822622989 /nfs/dbraw/zinc/62/29/89/822622989.db2.gz MEHOZVQFPXNANP-JLTOFOAXSA-N 1 1 383.879 4.135 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@H](C)C1 ZINC000180135735 822623563 /nfs/dbraw/zinc/62/35/63/822623563.db2.gz MONCSUJGYIZDJA-RISCZKNCSA-N 1 1 375.847 4.135 20 0 GIADMO CCCCn1ncc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1C(C)C ZINC000455273482 822623840 /nfs/dbraw/zinc/62/38/40/822623840.db2.gz JAKHKJUTPXGZHU-QGZVFWFLSA-N 1 1 375.561 4.145 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c2ccccc2)cc1 ZINC000180138546 822624397 /nfs/dbraw/zinc/62/43/97/822624397.db2.gz XMKPOLIMOCIKSP-VWLOTQADSA-N 1 1 386.543 4.021 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc(F)c(SC)c(F)c2)C1 ZINC000184381558 822625369 /nfs/dbraw/zinc/62/53/69/822625369.db2.gz MGMPDYVQKDMQNI-CYBMUJFWSA-N 1 1 380.464 4.315 20 0 GIADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3Br)CC2)C1 ZINC000048046590 822626415 /nfs/dbraw/zinc/62/64/15/822626415.db2.gz HZFWDVFZVIZYPY-CQSZACIVSA-N 1 1 397.332 4.059 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cccc(N(C)C)c2C)cc1 ZINC000180154611 822628384 /nfs/dbraw/zinc/62/83/84/822628384.db2.gz XDWDOMJHBGNAGC-MRXNPFEDSA-N 1 1 377.492 4.438 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1nc(C)cs1 ZINC000184399588 822628424 /nfs/dbraw/zinc/62/84/24/822628424.db2.gz FZPGKUYYPGCCCD-CABCVRRESA-N 1 1 375.563 4.410 20 0 GIADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@H](CC)c1nc(C)cs1 ZINC000184407145 822629515 /nfs/dbraw/zinc/62/95/15/822629515.db2.gz MNZBTTOCDFEKMS-IAGOWNOFSA-N 1 1 375.538 4.158 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1nc(C)cs1 ZINC000184408688 822629883 /nfs/dbraw/zinc/62/98/83/822629883.db2.gz BWXLGMXKLLNXCI-KRWDZBQOSA-N 1 1 395.532 4.194 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H]1c1ccccc1 ZINC000180162631 822630042 /nfs/dbraw/zinc/63/00/42/822630042.db2.gz SWFNPHOWYBKLSV-RDPSFJRHSA-N 1 1 389.499 4.226 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2Br)[C@@H]1c1ccccc1 ZINC000180162671 822630140 /nfs/dbraw/zinc/63/01/40/822630140.db2.gz WJPKHWBVQAFFAS-LPHOPBHVSA-N 1 1 398.304 4.106 20 0 GIADMO Cc1nn(C(C)(C)C)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000184412097 822630200 /nfs/dbraw/zinc/63/02/00/822630200.db2.gz BHVZPGILXCETJM-IRLDBZIGSA-N 1 1 394.563 4.073 20 0 GIADMO Cc1ccc(Br)cc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000048084110 822630504 /nfs/dbraw/zinc/63/05/04/822630504.db2.gz MVJNZSKZOKICGB-UHFFFAOYSA-N 1 1 382.346 4.342 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 ZINC000048095591 822631131 /nfs/dbraw/zinc/63/11/31/822631131.db2.gz JQPAEMQBANITCQ-UHFFFAOYSA-N 1 1 394.510 4.149 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1sccc1Br ZINC000048094411 822631183 /nfs/dbraw/zinc/63/11/83/822631183.db2.gz HOOCRWISJHRJRO-CYBMUJFWSA-N 1 1 383.311 4.061 20 0 GIADMO COC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000180171779 822632004 /nfs/dbraw/zinc/63/20/04/822632004.db2.gz QAPAYJCHOKUUGF-MNRDOXJOSA-N 1 1 386.486 4.438 20 0 GIADMO Brc1cccc2c1CC[C@@H]2NCC1([NH+]2CCCCC2)CCOCC1 ZINC000180172241 822632119 /nfs/dbraw/zinc/63/21/19/822632119.db2.gz BWEMPTSKZQWRBM-IBGZPJMESA-N 1 1 393.369 4.061 20 0 GIADMO C[C@@H]1CC=C(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000455314985 822633121 /nfs/dbraw/zinc/63/31/21/822633121.db2.gz MQZVCVXGOSDAAR-QGZVFWFLSA-N 1 1 379.504 4.169 20 0 GIADMO C[C@@H](c1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000180199025 822637847 /nfs/dbraw/zinc/63/78/47/822637847.db2.gz FBNUMFJBTDJQIJ-AWEZNQCLSA-N 1 1 394.393 4.231 20 0 GIADMO Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180199658 822638148 /nfs/dbraw/zinc/63/81/48/822638148.db2.gz WYWXYJYXKROGIE-WIYYLYMNSA-N 1 1 395.890 4.479 20 0 GIADMO CC[C@@H]([NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccc2c(c1)OCCO2 ZINC000180200970 822638287 /nfs/dbraw/zinc/63/82/87/822638287.db2.gz XEDMGFQFFNUEEU-KNQAVFIVSA-N 1 1 381.451 4.161 20 0 GIADMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000180202228 822638644 /nfs/dbraw/zinc/63/86/44/822638644.db2.gz XQDDIDIZHOMRDE-UHFFFAOYSA-N 1 1 393.575 4.039 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000048143202 822638658 /nfs/dbraw/zinc/63/86/58/822638658.db2.gz FLZCRXDZWRWIGQ-UHFFFAOYSA-N 1 1 385.483 4.273 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000048143202 822638661 /nfs/dbraw/zinc/63/86/61/822638661.db2.gz FLZCRXDZWRWIGQ-UHFFFAOYSA-N 1 1 385.483 4.273 20 0 GIADMO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000180207897 822639567 /nfs/dbraw/zinc/63/95/67/822639567.db2.gz ZDENFNMJPLLZNS-VQTJNVASSA-N 1 1 399.922 4.110 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1nc2ccc(Cl)cc2n1C ZINC000180209684 822639827 /nfs/dbraw/zinc/63/98/27/822639827.db2.gz VENOEMSUQKQAGP-HNAYVOBHSA-N 1 1 396.922 4.069 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000180208772 822639838 /nfs/dbraw/zinc/63/98/38/822639838.db2.gz CLGYZIFXJGRKEO-QFIPXVFZSA-N 1 1 377.536 4.100 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000180208772 822639839 /nfs/dbraw/zinc/63/98/39/822639839.db2.gz CLGYZIFXJGRKEO-QFIPXVFZSA-N 1 1 377.536 4.100 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)[C@@H](C)C2CC2)cc1 ZINC000184468766 822641216 /nfs/dbraw/zinc/64/12/16/822641216.db2.gz YAPVPLMDCHRFIN-HNNXBMFYSA-N 1 1 380.492 4.193 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCc1ccccc1Cl ZINC000184472800 822642138 /nfs/dbraw/zinc/64/21/38/822642138.db2.gz CUSXTEUYTCCAGY-CHWSQXEVSA-N 1 1 379.957 4.450 20 0 GIADMO COc1ccc(NC(=O)[C@@H]([NH2+]CCOC(C)C)c2ccccc2)cc1Cl ZINC000184479167 822642943 /nfs/dbraw/zinc/64/29/43/822642943.db2.gz GSDFODPMAZTGTN-IBGZPJMESA-N 1 1 376.884 4.043 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(Br)c3Cl)C2)C1 ZINC000455389908 822645178 /nfs/dbraw/zinc/64/51/78/822645178.db2.gz AEOWTNUNXIHNII-INIZCTEOSA-N 1 1 386.721 4.052 20 0 GIADMO CCC[N@@H+](CCc1cccs1)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000184504116 822646703 /nfs/dbraw/zinc/64/67/03/822646703.db2.gz MHGMAYHVINEIPN-UHFFFAOYSA-N 1 1 387.505 4.270 20 0 GIADMO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2nc3c(s2)CCCC3)c2ccc(F)cc2C1 ZINC000184510219 822647697 /nfs/dbraw/zinc/64/76/97/822647697.db2.gz DJTCIXCFSMZCBP-SCLBCKFNSA-N 1 1 387.524 4.305 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)N(C)CC3)CC[N@H+]1Cc1ccccc1 ZINC000180251419 822648412 /nfs/dbraw/zinc/64/84/12/822648412.db2.gz VZOLHJCXKMJFNA-XMSQKQJNSA-N 1 1 392.547 4.196 20 0 GIADMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(-c3ccccc3F)n2)cc1 ZINC000180253508 822648723 /nfs/dbraw/zinc/64/87/23/822648723.db2.gz ZPTWURMRLTYPPK-INIZCTEOSA-N 1 1 375.451 4.356 20 0 GIADMO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(-c3ccccc3F)n2)cc1 ZINC000180253486 822648764 /nfs/dbraw/zinc/64/87/64/822648764.db2.gz ZPTWURMRLTYPPK-MRXNPFEDSA-N 1 1 375.451 4.356 20 0 GIADMO COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000184515796 822648852 /nfs/dbraw/zinc/64/88/52/822648852.db2.gz ZWYOCANUODEXJH-MRXNPFEDSA-N 1 1 395.528 4.128 20 0 GIADMO Cc1ccc(F)cc1C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180265419 822650929 /nfs/dbraw/zinc/65/09/29/822650929.db2.gz VPRCSALFNYLWOC-JOCHJYFZSA-N 1 1 383.488 4.417 20 0 GIADMO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455426026 822651472 /nfs/dbraw/zinc/65/14/72/822651472.db2.gz ZDDZPUGYDJRFHX-SLFFLAALSA-N 1 1 391.506 4.118 20 0 GIADMO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)sc1Cc1ccc(F)cc1 ZINC000455448245 822656023 /nfs/dbraw/zinc/65/60/23/822656023.db2.gz OAKHTPRIPSBRHK-CXAGYDPISA-N 1 1 390.528 4.128 20 0 GIADMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000184559593 822657358 /nfs/dbraw/zinc/65/73/58/822657358.db2.gz UWPWSQRVXAUKHR-FCHUYYIVSA-N 1 1 380.536 4.085 20 0 GIADMO O=c1ccccn1Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000180293933 822657835 /nfs/dbraw/zinc/65/78/35/822657835.db2.gz GFDSYDJOZYVYTC-RUZDIDTESA-N 1 1 381.479 4.171 20 0 GIADMO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n(Cc2ccccc2)n1 ZINC000180300028 822659412 /nfs/dbraw/zinc/65/94/12/822659412.db2.gz WOPCCZVLNIKILJ-ICSRJNTNSA-N 1 1 395.551 4.014 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1OC(F)F ZINC000048410393 822660306 /nfs/dbraw/zinc/66/03/06/822660306.db2.gz QGMZYOXSHSLPDM-UHFFFAOYSA-N 1 1 391.462 4.128 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)[C@H](C)C1 ZINC000180303856 822660358 /nfs/dbraw/zinc/66/03/58/822660358.db2.gz FLGPLBXXMQTBIW-DNVCBOLYSA-N 1 1 393.491 4.084 20 0 GIADMO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)c1ccccc1C(F)(F)F ZINC000455470504 822660856 /nfs/dbraw/zinc/66/08/56/822660856.db2.gz HJKUZWILDARMOB-BLNMRFBMSA-N 1 1 383.458 4.122 20 0 GIADMO CCN(C(=O)Nc1ccc(-c2ncco2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184584322 822661590 /nfs/dbraw/zinc/66/15/90/822661590.db2.gz ZUPFMDIBVPWFHW-OAQYLSRUSA-N 1 1 390.487 4.470 20 0 GIADMO CSCC[C@@H]([NH2+]Cc1cc(F)cc2cccnc21)c1nnc2ccccn21 ZINC000184604695 822664696 /nfs/dbraw/zinc/66/46/96/822664696.db2.gz WTOVFSHMXSSGPQ-QGZVFWFLSA-N 1 1 381.480 4.001 20 0 GIADMO Cc1nc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1-c1ccccc1 ZINC000455491518 822665020 /nfs/dbraw/zinc/66/50/20/822665020.db2.gz WNLOBWLEENIUIS-QGZVFWFLSA-N 1 1 378.520 4.395 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)C(C)(C)C)c(OC)c1 ZINC000184620069 822666819 /nfs/dbraw/zinc/66/68/19/822666819.db2.gz AYUYHHGPEBOJEL-UHFFFAOYSA-N 1 1 398.507 4.201 20 0 GIADMO Cc1c(-c2cc(C[N@@H+]3CC=C(c4c[nH]c5cc(F)ccc54)CC3)on2)cnn1C ZINC000184635306 822668899 /nfs/dbraw/zinc/66/88/99/822668899.db2.gz XJPYYCRMNAYQMP-UHFFFAOYSA-N 1 1 391.450 4.293 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3c(F)cc(Cl)cc3F)cc2)C[C@@H](C)O1 ZINC000180355493 822669260 /nfs/dbraw/zinc/66/92/60/822669260.db2.gz HGWNIGQQJWGDNJ-CHWSQXEVSA-N 1 1 394.849 4.480 20 0 GIADMO CCc1nc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cs1 ZINC000184683511 822676078 /nfs/dbraw/zinc/67/60/78/822676078.db2.gz OGZWCWZXQXBUMC-ZYHUDNBSSA-N 1 1 375.321 4.103 20 0 GIADMO CCc1nc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cs1 ZINC000184683479 822676097 /nfs/dbraw/zinc/67/60/97/822676097.db2.gz OGZWCWZXQXBUMC-PWSUYJOCSA-N 1 1 375.321 4.103 20 0 GIADMO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1cccc(C[NH+](C)C)c1 ZINC000048709888 822679174 /nfs/dbraw/zinc/67/91/74/822679174.db2.gz UXGCDMNELFTETC-UHFFFAOYSA-N 1 1 384.474 4.119 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000180436393 822681568 /nfs/dbraw/zinc/68/15/68/822681568.db2.gz MXLKTOCXBAUIIY-LBPRGKRZSA-N 1 1 395.272 4.195 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000455598602 822681752 /nfs/dbraw/zinc/68/17/52/822681752.db2.gz NRLFJDRFUDEKMR-OTYNDTSQSA-N 1 1 399.485 4.488 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000455600469 822681960 /nfs/dbraw/zinc/68/19/60/822681960.db2.gz BNZWXPUNLAAXCN-KRWDZBQOSA-N 1 1 397.485 4.469 20 0 GIADMO C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000180438336 822682191 /nfs/dbraw/zinc/68/21/91/822682191.db2.gz KRZYBTZPJKUZCT-JTSKRJEESA-N 1 1 389.946 4.042 20 0 GIADMO COc1ccc(OC)c(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000048781453 822682802 /nfs/dbraw/zinc/68/28/02/822682802.db2.gz ZJZCDZDXFYPIMK-UHFFFAOYSA-N 1 1 394.446 4.385 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc2c(cc1Br)OCCO2 ZINC000048786278 822683328 /nfs/dbraw/zinc/68/33/28/822683328.db2.gz DMBHJBPJEZPCLI-JTQLQIEISA-N 1 1 384.220 4.349 20 0 GIADMO Brc1cc(C[NH2+]Cc2ccccc2Br)cc2c1OCO2 ZINC000048819863 822684371 /nfs/dbraw/zinc/68/43/71/822684371.db2.gz DGWZMRJOYFATPW-UHFFFAOYSA-N 1 1 399.082 4.230 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)F)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455623243 822685717 /nfs/dbraw/zinc/68/57/17/822685717.db2.gz MEJQPCHPKZBNKG-QHAWAJNXSA-N 1 1 399.485 4.156 20 0 GIADMO Cc1[nH]c2ccccc2c1C1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000455627044 822686047 /nfs/dbraw/zinc/68/60/47/822686047.db2.gz ZECANEXOBKLRMM-UHFFFAOYSA-N 1 1 382.552 4.240 20 0 GIADMO CC[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000180463965 822686562 /nfs/dbraw/zinc/68/65/62/822686562.db2.gz YRESNJRLOSKSDK-LSDHHAIUSA-N 1 1 381.358 4.212 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000455640029 822688990 /nfs/dbraw/zinc/68/89/90/822688990.db2.gz NTXCTWZYWBSCAC-GFCCVEGCSA-N 1 1 393.837 4.434 20 0 GIADMO Cc1ccccc1-c1ccc(Cl)c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000455642201 822689526 /nfs/dbraw/zinc/68/95/26/822689526.db2.gz QZTSODYAYOHMLZ-KRWDZBQOSA-N 1 1 386.923 4.156 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000455646220 822690308 /nfs/dbraw/zinc/69/03/08/822690308.db2.gz XJIAEAPGBJLBAV-UHFFFAOYSA-N 1 1 390.793 4.345 20 0 GIADMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3nnc(C)n3C3CC3)s2)cc1 ZINC000184786409 822690735 /nfs/dbraw/zinc/69/07/35/822690735.db2.gz PPYZEYBGNPMDRT-GFCCVEGCSA-N 1 1 383.521 4.213 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cnc(Cc2ccccc2F)s1 ZINC000184799770 822692496 /nfs/dbraw/zinc/69/24/96/822692496.db2.gz HAIWSKAXBRMEPL-KRWDZBQOSA-N 1 1 399.491 4.033 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455657784 822693285 /nfs/dbraw/zinc/69/32/85/822693285.db2.gz DGMUZWSTOONMNB-KNQAVFIVSA-N 1 1 393.531 4.176 20 0 GIADMO Cc1cc(C)n2c(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)cnc2n1 ZINC000180509082 822693813 /nfs/dbraw/zinc/69/38/13/822693813.db2.gz YHERKUFQKDXLED-HKUYNNGSSA-N 1 1 384.549 4.276 20 0 GIADMO C[N@@H+](CCNC(=O)c1ccc(Br)cc1C(F)(F)F)C1CCCC1 ZINC000180515331 822694568 /nfs/dbraw/zinc/69/45/68/822694568.db2.gz BJYCWDDHZNRWHR-UHFFFAOYSA-N 1 1 393.247 4.072 20 0 GIADMO C[C@H](NC(=O)N[C@@H](c1ccccc1)C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455664203 822694684 /nfs/dbraw/zinc/69/46/84/822694684.db2.gz YFSRSUXRDUJDGJ-VDGAXYAQSA-N 1 1 387.474 4.203 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000180522981 822695838 /nfs/dbraw/zinc/69/58/38/822695838.db2.gz FSKRMVFYDHTIAE-GTNSWQLSSA-N 1 1 395.334 4.348 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000180522981 822695839 /nfs/dbraw/zinc/69/58/39/822695839.db2.gz FSKRMVFYDHTIAE-GTNSWQLSSA-N 1 1 395.334 4.348 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000184832152 822697139 /nfs/dbraw/zinc/69/71/39/822697139.db2.gz BUIDKSSGSHEDHX-OAHLLOKOSA-N 1 1 398.450 4.149 20 0 GIADMO Cc1csc([C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C(F)(F)F)n1 ZINC000455681683 822699498 /nfs/dbraw/zinc/69/94/98/822699498.db2.gz ADLJZPYSJNHEPI-CQSZACIVSA-N 1 1 392.491 4.009 20 0 GIADMO CN(C)C1(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)CCOCC1 ZINC000180543864 822699535 /nfs/dbraw/zinc/69/95/35/822699535.db2.gz VKVAXPINYGAYQG-FQEVSTJZSA-N 1 1 376.903 4.269 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)NCC1(c2ccccc2)CC1 ZINC000180547944 822700086 /nfs/dbraw/zinc/70/00/86/822700086.db2.gz BWAWMVKNVPYYPS-SFHVURJKSA-N 1 1 394.412 4.257 20 0 GIADMO C[C@H]1[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@H+]1Cc1ccccc1 ZINC000455686317 822701201 /nfs/dbraw/zinc/70/12/01/822701201.db2.gz OCSNQHATUWSBIR-WFASDCNBSA-N 1 1 398.454 4.032 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)c3ccc([C@@H](C)C(F)(F)F)cc3)CC2)[nH+]1 ZINC000455689006 822702093 /nfs/dbraw/zinc/70/20/93/822702093.db2.gz SOHGTAFVJBWQRS-OAHLLOKOSA-N 1 1 391.437 4.455 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000455690165 822702658 /nfs/dbraw/zinc/70/26/58/822702658.db2.gz FBWIWCJAINPXPN-DOTOQJQBSA-N 1 1 379.291 4.264 20 0 GIADMO 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CCCCOc1ccc([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3)no2)cc1OC ZINC000185051621 822729647 /nfs/dbraw/zinc/72/96/47/822729647.db2.gz LIGWTLGAVMDFBH-HNNXBMFYSA-N 1 1 384.480 4.113 20 0 GIADMO CC(C)C(=O)c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000455808378 822730137 /nfs/dbraw/zinc/73/01/37/822730137.db2.gz AVNQCONYMKNHET-FQEVSTJZSA-N 1 1 393.531 4.211 20 0 GIADMO CCCn1ncc(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1C1CC1 ZINC000455820183 822731852 /nfs/dbraw/zinc/73/18/52/822731852.db2.gz BEBOMZZWZDCXBS-HXUWFJFHSA-N 1 1 395.551 4.347 20 0 GIADMO Cc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c(C2CC2)n1 ZINC000455822933 822732359 /nfs/dbraw/zinc/73/23/59/822732359.db2.gz MRDGZTXKTSBHLJ-MRXNPFEDSA-N 1 1 379.504 4.240 20 0 GIADMO Cc1nc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(-c2ccccc2)o1 ZINC000185069867 822732419 /nfs/dbraw/zinc/73/24/19/822732419.db2.gz QKSAEAMTVFHVEH-OAQYLSRUSA-N 1 1 389.499 4.387 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)C(C)(C)c3cccc(Cl)c3F)sc2C1 ZINC000185083986 822734563 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CCCNC(=O)[C@H]1CCC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000050995701 822743920 /nfs/dbraw/zinc/74/39/20/822743920.db2.gz VKZOVZQURCWJIZ-INIZCTEOSA-N 1 1 391.968 4.126 20 0 GIADMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000050995701 822743924 /nfs/dbraw/zinc/74/39/24/822743924.db2.gz VKZOVZQURCWJIZ-INIZCTEOSA-N 1 1 391.968 4.126 20 0 GIADMO O=C(Nc1ccc2c(n1)CCC2)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000455896135 822744160 /nfs/dbraw/zinc/74/41/60/822744160.db2.gz URDYLFCREWQJEM-UHFFFAOYSA-N 1 1 390.531 4.090 20 0 GIADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051055336 822745199 /nfs/dbraw/zinc/74/51/99/822745199.db2.gz WVGSQZMFZCXMEU-OALUTQOASA-N 1 1 387.568 4.074 20 0 GIADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051055336 822745201 /nfs/dbraw/zinc/74/52/01/822745201.db2.gz WVGSQZMFZCXMEU-OALUTQOASA-N 1 1 387.568 4.074 20 0 GIADMO O[C@@H](C[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000051091568 822746502 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1 381.480 4.451 20 0 GIADMO COc1cc(C[N@@H+](C[C@H](O)c2c(F)cccc2F)C2CC2)ccc1OC(F)F ZINC000051262166 822752541 /nfs/dbraw/zinc/75/25/41/822752541.db2.gz IYVGCCNGBPYZHA-INIZCTEOSA-N 1 1 399.384 4.273 20 0 GIADMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl ZINC000185234470 822752738 /nfs/dbraw/zinc/75/27/38/822752738.db2.gz QPYLJLDMFQHBSM-INIZCTEOSA-N 1 1 376.840 4.135 20 0 GIADMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000185237022 822753046 /nfs/dbraw/zinc/75/30/46/822753046.db2.gz WWTWGZRAOPKMKN-HOTGVXAUSA-N 1 1 393.524 4.109 20 0 GIADMO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@@H](C)Cc2ccc(OC)c(F)c2)n1 ZINC000185256876 822755406 /nfs/dbraw/zinc/75/54/06/822755406.db2.gz PGQHFRMCYAYGIV-KBPBESRZSA-N 1 1 381.517 4.342 20 0 GIADMO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](C)Cc2ccc(OC)c(F)c2)n1 ZINC000185256876 822755408 /nfs/dbraw/zinc/75/54/08/822755408.db2.gz PGQHFRMCYAYGIV-KBPBESRZSA-N 1 1 381.517 4.342 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C2CC2)s1 ZINC000185272909 822757856 /nfs/dbraw/zinc/75/78/56/822757856.db2.gz SUVSKWDNPFCJLD-QVKFZJNVSA-N 1 1 383.561 4.248 20 0 GIADMO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1Cl ZINC000185275782 822758224 /nfs/dbraw/zinc/75/82/24/822758224.db2.gz AMWOOMUOHHNCGG-LBPRGKRZSA-N 1 1 384.282 4.215 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2c[nH]c3ccc(C)cc23)cc1F ZINC000174274943 822761124 /nfs/dbraw/zinc/76/11/24/822761124.db2.gz PJJNLVVTQPCUPQ-UHFFFAOYSA-N 1 1 390.462 4.359 20 0 GIADMO CCN(c1ccc(NC(=O)C[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1)C(C)C ZINC000185314150 822764265 /nfs/dbraw/zinc/76/42/65/822764265.db2.gz CJPAUKJWBDAWDJ-HXUWFJFHSA-N 1 1 386.565 4.366 20 0 GIADMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)c1ccc(Cl)c2ccccc21 ZINC000185322309 822765805 /nfs/dbraw/zinc/76/58/05/822765805.db2.gz XMNPCOHAUQTLER-YCRPNKLZSA-N 1 1 386.923 4.314 20 0 GIADMO C[C@H](c1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1)C(F)(F)F ZINC000456014534 822766587 /nfs/dbraw/zinc/76/65/87/822766587.db2.gz ZJHAQTAXYIJSGV-CCKFTAQKSA-N 1 1 376.422 4.180 20 0 GIADMO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185346067 822769035 /nfs/dbraw/zinc/76/90/35/822769035.db2.gz HQHUQXOFFPHHKM-FXAWDEMLSA-N 1 1 387.549 4.158 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C2CC2)s1 ZINC000185355038 822770349 /nfs/dbraw/zinc/77/03/49/822770349.db2.gz WJYORLHNAKQSAN-OALUTQOASA-N 1 1 375.513 4.145 20 0 GIADMO CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000051653433 822771599 /nfs/dbraw/zinc/77/15/99/822771599.db2.gz AUSHWMFQNIEJQW-AWEZNQCLSA-N 1 1 399.379 4.368 20 0 GIADMO CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000051653433 822771601 /nfs/dbraw/zinc/77/16/01/822771601.db2.gz AUSHWMFQNIEJQW-AWEZNQCLSA-N 1 1 399.379 4.368 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1C ZINC000185364620 822772354 /nfs/dbraw/zinc/77/23/54/822772354.db2.gz LBNZJDFCQDRVEG-QFIPXVFZSA-N 1 1 396.535 4.232 20 0 GIADMO CC(=O)Nc1cc(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)ccc1C ZINC000185375960 822774534 /nfs/dbraw/zinc/77/45/34/822774534.db2.gz VKRYQANQNZIOAH-QFIPXVFZSA-N 1 1 396.535 4.232 20 0 GIADMO COc1ccc(C2(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CCCCC2)cc1 ZINC000174345595 822775626 /nfs/dbraw/zinc/77/56/26/822775626.db2.gz MJMLEISNTPHYHC-QUCCMNQESA-N 1 1 387.568 4.021 20 0 GIADMO CC(C)OC(=O)c1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000185415218 822780910 /nfs/dbraw/zinc/78/09/10/822780910.db2.gz FPYQKOOPBYSYIA-NRFANRHFSA-N 1 1 381.451 4.004 20 0 GIADMO COc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000174398837 822784347 /nfs/dbraw/zinc/78/43/47/822784347.db2.gz GSZKMXMBIPBRFA-IBGZPJMESA-N 1 1 390.474 4.251 20 0 GIADMO CC(C)c1ccccc1NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400102 822784535 /nfs/dbraw/zinc/78/45/35/822784535.db2.gz VKLFEFAIFVXNPQ-OAQYLSRUSA-N 1 1 379.548 4.202 20 0 GIADMO CN(Cc1nnc(-c2cccc(Cl)c2)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400441 822784597 /nfs/dbraw/zinc/78/45/97/822784597.db2.gz OCWJMMDLELAMSQ-SFHVURJKSA-N 1 1 396.922 4.344 20 0 GIADMO C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400411 822784623 /nfs/dbraw/zinc/78/46/23/822784623.db2.gz IMDYWPJYFWUREB-RXVVDRJESA-N 1 1 392.465 4.193 20 0 GIADMO Cc1sc(NC(=O)CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C ZINC000174401838 822785002 /nfs/dbraw/zinc/78/50/02/822785002.db2.gz UMFNAYCBQPKSJH-HXUWFJFHSA-N 1 1 385.577 4.066 20 0 GIADMO C[NH+](C)Cc1cccc(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC000174404617 822785584 /nfs/dbraw/zinc/78/55/84/822785584.db2.gz IFUNXYOQVVEPQY-NRFANRHFSA-N 1 1 388.939 4.249 20 0 GIADMO C[C@@H](CCNC(=O)c1cc(F)cc2[nH]c(=S)[nH]c21)[N@@H+](C)Cc1ccccc1 ZINC000174417385 822787352 /nfs/dbraw/zinc/78/73/52/822787352.db2.gz JGAHFIUBGGGCNZ-ZDUSSCGKSA-N 1 1 386.496 4.005 20 0 GIADMO CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000185465297 822787495 /nfs/dbraw/zinc/78/74/95/822787495.db2.gz VGQMXRWEEQCSPB-DENIHFKCSA-N 1 1 380.532 4.016 20 0 GIADMO Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000052087178 822790149 /nfs/dbraw/zinc/79/01/49/822790149.db2.gz JGLDMTZZROPKBW-UHFFFAOYSA-N 1 1 396.366 4.324 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cccc(SC(=O)N(C)C)c2)CC1 ZINC000185493533 822790419 /nfs/dbraw/zinc/79/04/19/822790419.db2.gz IKEHAOSKOMONAM-INIZCTEOSA-N 1 1 389.590 4.401 20 0 GIADMO Cc1cc([C@@](C)(O)C[NH2+]Cc2csc(COc3ccc(C)cc3)n2)c(C)o1 ZINC000174443702 822790504 /nfs/dbraw/zinc/79/05/04/822790504.db2.gz AVWMRTIFZDKMAR-NRFANRHFSA-N 1 1 386.517 4.238 20 0 GIADMO C[C@@H](NC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1)c1cccc2ccccc21 ZINC000185498654 822791065 /nfs/dbraw/zinc/79/10/65/822791065.db2.gz YLSBXNFHCSOFQC-LJQANCHMSA-N 1 1 388.511 4.001 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000052136101 822791147 /nfs/dbraw/zinc/79/11/47/822791147.db2.gz FVDBCSIZIGDOSO-UHFFFAOYSA-N 1 1 395.410 4.156 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000174450656 822791457 /nfs/dbraw/zinc/79/14/57/822791457.db2.gz XWNGBFXHKDCDGF-UHFFFAOYSA-N 1 1 397.563 4.038 20 0 GIADMO COc1cc(C[NH2+]Cc2nccn2CC(C)C)ccc1OCc1ccccc1 ZINC000174455627 822792423 /nfs/dbraw/zinc/79/24/23/822792423.db2.gz BQZJDZFMJMZGOI-UHFFFAOYSA-N 1 1 379.504 4.417 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000052186613 822792755 /nfs/dbraw/zinc/79/27/55/822792755.db2.gz NYDHCTIOWAUFCT-UHFFFAOYSA-N 1 1 389.927 4.466 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 ZINC000052191772 822792880 /nfs/dbraw/zinc/79/28/80/822792880.db2.gz XBWNOHAMGXCRFS-UHFFFAOYSA-N 1 1 384.483 4.074 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000052193015 822792882 /nfs/dbraw/zinc/79/28/82/822792882.db2.gz DQBXJINGYRGONH-OAQYLSRUSA-N 1 1 399.947 4.484 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000174496400 822796945 /nfs/dbraw/zinc/79/69/45/822796945.db2.gz RJGSXWPPZIWXEQ-QGZVFWFLSA-N 1 1 394.544 4.015 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2OC(F)F)C1 ZINC000174497621 822797073 /nfs/dbraw/zinc/79/70/73/822797073.db2.gz JAINMLZWTHDFHO-CVEARBPZSA-N 1 1 381.467 4.406 20 0 GIADMO C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cn(C)c2ccccc12 ZINC000185569887 822797498 /nfs/dbraw/zinc/79/74/98/822797498.db2.gz GAZVYBDXDXVDLK-TZIWHRDSSA-N 1 1 389.543 4.262 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1cccc(Oc2ccccn2)c1 ZINC000174505628 822798116 /nfs/dbraw/zinc/79/81/16/822798116.db2.gz YCGDVTMOYIQTIU-UHFFFAOYSA-N 1 1 394.500 4.115 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)Nc1cccc(Oc2ccccn2)c1 ZINC000174505628 822798118 /nfs/dbraw/zinc/79/81/18/822798118.db2.gz YCGDVTMOYIQTIU-UHFFFAOYSA-N 1 1 394.500 4.115 20 0 GIADMO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456321457 822798229 /nfs/dbraw/zinc/79/82/29/822798229.db2.gz PIISOKBTICWDRU-YOGCLGLASA-N 1 1 381.954 4.188 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2)cc1)C(C)C ZINC000456330403 822799085 /nfs/dbraw/zinc/79/90/85/822799085.db2.gz GJBFPIFSEZAQKW-UHFFFAOYSA-N 1 1 382.508 4.263 20 0 GIADMO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000052430077 822799301 /nfs/dbraw/zinc/79/93/01/822799301.db2.gz FFDZWTTVUPEVAR-QHCPKHFHSA-N 1 1 396.531 4.075 20 0 GIADMO CCCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000052430077 822799304 /nfs/dbraw/zinc/79/93/04/822799304.db2.gz FFDZWTTVUPEVAR-QHCPKHFHSA-N 1 1 396.531 4.075 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(C)c1 ZINC000052440526 822799697 /nfs/dbraw/zinc/79/96/97/822799697.db2.gz SGLASJPBUGFPHU-CVDCTZTESA-N 1 1 380.532 4.384 20 0 GIADMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000052439807 822799744 /nfs/dbraw/zinc/79/97/44/822799744.db2.gz AUPQANHEMOQZQF-FQEVSTJZSA-N 1 1 378.438 4.471 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456349526 822801087 /nfs/dbraw/zinc/80/10/87/822801087.db2.gz VVRPFQIKQHVIFV-CYBMUJFWSA-N 1 1 397.466 4.064 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456353117 822801486 /nfs/dbraw/zinc/80/14/86/822801486.db2.gz ZCYXNTWNUXFRDV-SFHVURJKSA-N 1 1 389.499 4.244 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C1 ZINC000174529478 822801670 /nfs/dbraw/zinc/80/16/70/822801670.db2.gz XFCDGFYDXZYQIA-GFCCVEGCSA-N 1 1 385.455 4.037 20 0 GIADMO C[C@@H](CNC(=O)N(CCc1ccccc1)Cc1cccnc1)[N@H+]1CCCC[C@H]1C ZINC000052524676 822802646 /nfs/dbraw/zinc/80/26/46/822802646.db2.gz KYKDTHWYXFYLNE-RTWAWAEBSA-N 1 1 394.563 4.099 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)C1 ZINC000174539604 822802753 /nfs/dbraw/zinc/80/27/53/822802753.db2.gz LWBRIFKQWIFXBR-MRXNPFEDSA-N 1 1 388.943 4.063 20 0 GIADMO O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000456385479 822803574 /nfs/dbraw/zinc/80/35/74/822803574.db2.gz CAOJMUJKWQLWDM-NRFANRHFSA-N 1 1 386.442 4.214 20 0 GIADMO Cc1nc(CCC(=O)N2CC[N@H+](C)CC23CCCCC3)oc1-c1ccccc1 ZINC000174571843 822806575 /nfs/dbraw/zinc/80/65/75/822806575.db2.gz UGLJCMKQZRWNIF-UHFFFAOYSA-N 1 1 381.520 4.060 20 0 GIADMO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Cl)c(Cl)c3[O-])CC2)nc(C)[nH+]1 ZINC000185655250 822807309 /nfs/dbraw/zinc/80/73/09/822807309.db2.gz JUGTVOGNOMDFSR-LBPRGKRZSA-N 1 1 395.334 4.425 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C(F)F)cc2)C1 ZINC000185698532 822811151 /nfs/dbraw/zinc/81/11/51/822811151.db2.gz SGUBBKPFHXTRAY-AEFFLSMTSA-N 1 1 379.495 4.420 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000052803737 822811174 /nfs/dbraw/zinc/81/11/74/822811174.db2.gz KDMZDXOZTHHJLH-SFHVURJKSA-N 1 1 395.528 4.183 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000052803737 822811177 /nfs/dbraw/zinc/81/11/77/822811177.db2.gz KDMZDXOZTHHJLH-SFHVURJKSA-N 1 1 395.528 4.183 20 0 GIADMO C[C@@H](NCC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697296 822811207 /nfs/dbraw/zinc/81/12/07/822811207.db2.gz ILCKMSXDXOZIEL-KGLIPLIRSA-N 1 1 384.351 4.175 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706832 822812423 /nfs/dbraw/zinc/81/24/23/822812423.db2.gz JFOQZDDXJYQDNT-BBTUJRGHSA-N 1 1 385.596 4.381 20 0 GIADMO COc1ccc(C[N@H+](Cc2nnnn2-c2c(C)cccc2C)[C@@H](C)C2CC2)cc1 ZINC000052867371 822813583 /nfs/dbraw/zinc/81/35/83/822813583.db2.gz YZEOFBBPVDFRSU-SFHVURJKSA-N 1 1 391.519 4.088 20 0 GIADMO COc1ccc(C[N@@H+](Cc2nnnn2-c2c(C)cccc2C)[C@@H](C)C2CC2)cc1 ZINC000052867371 822813585 /nfs/dbraw/zinc/81/35/85/822813585.db2.gz YZEOFBBPVDFRSU-SFHVURJKSA-N 1 1 391.519 4.088 20 0 GIADMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccs2)c2ccc(F)c(F)c2)c1 ZINC000174623251 822813911 /nfs/dbraw/zinc/81/39/11/822813911.db2.gz RLGLZMZQAYXXMO-IBGZPJMESA-N 1 1 393.480 4.309 20 0 GIADMO Cc1cc(F)ccc1C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000174632716 822815068 /nfs/dbraw/zinc/81/50/68/822815068.db2.gz POTIZNXXIFWXNV-QFIPXVFZSA-N 1 1 383.488 4.417 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)cs1)C1CC1 ZINC000185738466 822816295 /nfs/dbraw/zinc/81/62/95/822816295.db2.gz VPLYMESKTQBRNC-PMACEKPBSA-N 1 1 399.560 4.132 20 0 GIADMO COCc1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)sc2cccc(F)c21 ZINC000052954867 822816661 /nfs/dbraw/zinc/81/66/61/822816661.db2.gz GSJMMDOHLJRWCH-AWEZNQCLSA-N 1 1 378.513 4.181 20 0 GIADMO C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750240 822817642 /nfs/dbraw/zinc/81/76/42/822817642.db2.gz PPMYLQFPSJIPRQ-HOCLYGCPSA-N 1 1 375.463 4.362 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc3ccccc32)c1 ZINC000053017078 822818659 /nfs/dbraw/zinc/81/86/59/822818659.db2.gz PSLOPTAYSAOEBI-MRXNPFEDSA-N 1 1 378.472 4.316 20 0 GIADMO Cc1cc2c(cc1C)[C@@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC000185763040 822818818 /nfs/dbraw/zinc/81/88/18/822818818.db2.gz ZIAXNUJLRSRHRY-VYTWWXLVSA-N 1 1 390.527 4.091 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCc2ccccn2)CC1 ZINC000174656202 822818990 /nfs/dbraw/zinc/81/89/90/822818990.db2.gz OVKDSISIXZFCFN-UHFFFAOYSA-N 1 1 377.454 4.239 20 0 GIADMO C[C@@H](NCC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765267 822819087 /nfs/dbraw/zinc/81/90/87/822819087.db2.gz UGPCVDNQWLNSNO-KGLIPLIRSA-N 1 1 384.351 4.175 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000174659066 822819620 /nfs/dbraw/zinc/81/96/20/822819620.db2.gz QYYOTOASQSXPPD-OAHLLOKOSA-N 1 1 392.341 4.297 20 0 GIADMO Cc1sc2nc([C@H](C)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)nc(N)c2c1C ZINC000185768919 822819611 /nfs/dbraw/zinc/81/96/11/822819611.db2.gz ZSMHWRVMNRPNAV-IJEWVQPXSA-N 1 1 387.597 4.194 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H]3Cc3cccc(F)c3)cc(=O)oc2c1 ZINC000053076281 822820597 /nfs/dbraw/zinc/82/05/97/822820597.db2.gz WYTYIQBTHAWDAK-HXUWFJFHSA-N 1 1 394.446 4.098 20 0 GIADMO O=C(c1ccccc1C(F)(F)F)N1CCC(Nc2cc[nH+]cc2Cl)CC1 ZINC000185785727 822821086 /nfs/dbraw/zinc/82/10/86/822821086.db2.gz SDJUFGWZQWOZDQ-UHFFFAOYSA-N 1 1 383.801 4.471 20 0 GIADMO CC[N@@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@H](C)c1ccc(F)cc1 ZINC000053088033 822821147 /nfs/dbraw/zinc/82/11/47/822821147.db2.gz XCSLQSPODCGCFV-CQSZACIVSA-N 1 1 382.435 4.474 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053111363 822822139 /nfs/dbraw/zinc/82/21/39/822822139.db2.gz DRIOIJMFPUVECE-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053111363 822822143 /nfs/dbraw/zinc/82/21/43/822822143.db2.gz DRIOIJMFPUVECE-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO CC(C)C[C@@H](CO)N(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000185802186 822822387 /nfs/dbraw/zinc/82/23/87/822822387.db2.gz NUYMNJWRODGETB-FQEVSTJZSA-N 1 1 375.557 4.322 20 0 GIADMO C[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174680263 822822505 /nfs/dbraw/zinc/82/25/05/822822505.db2.gz WEEJBLZPCDVYAB-LJQANCHMSA-N 1 1 382.895 4.491 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC000053182747 822825182 /nfs/dbraw/zinc/82/51/82/822825182.db2.gz FXHSLGSIMMELGU-QGZVFWFLSA-N 1 1 392.503 4.091 20 0 GIADMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc(C3SCCS3)c1)C2 ZINC000174720471 822828276 /nfs/dbraw/zinc/82/82/76/822828276.db2.gz UVQQVLFWIULWCP-ALOPSCKCSA-N 1 1 377.579 4.302 20 0 GIADMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000053279220 822828800 /nfs/dbraw/zinc/82/88/00/822828800.db2.gz WVLGWLWJOKZPHH-SFHVURJKSA-N 1 1 398.304 4.103 20 0 GIADMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000185872028 822828841 /nfs/dbraw/zinc/82/88/41/822828841.db2.gz KLKQAZQBFMFRGQ-INIZCTEOSA-N 1 1 377.985 4.184 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000185872050 822828908 /nfs/dbraw/zinc/82/89/08/822828908.db2.gz KLKQAZQBFMFRGQ-MRXNPFEDSA-N 1 1 377.985 4.184 20 0 GIADMO O=c1cc(C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)nc2sccn21 ZINC000053314214 822830142 /nfs/dbraw/zinc/83/01/42/822830142.db2.gz RIASIAKWPVNYON-UHFFFAOYSA-N 1 1 380.300 4.227 20 0 GIADMO O=c1cc(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)nc2sccn21 ZINC000053314214 822830145 /nfs/dbraw/zinc/83/01/45/822830145.db2.gz RIASIAKWPVNYON-UHFFFAOYSA-N 1 1 380.300 4.227 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(O)(c3ccccc3)CC2)cc1)C(C)C ZINC000185892642 822830597 /nfs/dbraw/zinc/83/05/97/822830597.db2.gz QLDHCBJOQXUEDO-UHFFFAOYSA-N 1 1 380.532 4.041 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000053403950 822833331 /nfs/dbraw/zinc/83/33/31/822833331.db2.gz JSQLCWRXWGAOPF-AWEZNQCLSA-N 1 1 393.597 4.281 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185918659 822833411 /nfs/dbraw/zinc/83/34/11/822833411.db2.gz CEOHCVSWDXLRPJ-IBGZPJMESA-N 1 1 389.503 4.063 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC[N@H+]1C ZINC000174768671 822834651 /nfs/dbraw/zinc/83/46/51/822834651.db2.gz QETTVLHSHIYMPS-YJBOKZPZSA-N 1 1 378.476 4.441 20 0 GIADMO CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782117 822836387 /nfs/dbraw/zinc/83/63/87/822836387.db2.gz FBCZESHYFIDUJP-XXBNENTESA-N 1 1 379.548 4.344 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782117 822836390 /nfs/dbraw/zinc/83/63/90/822836390.db2.gz FBCZESHYFIDUJP-XXBNENTESA-N 1 1 379.548 4.344 20 0 GIADMO CC[C@@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)c1nc(C(F)(F)F)cs1 ZINC000185955967 822836938 /nfs/dbraw/zinc/83/69/38/822836938.db2.gz HQXFQCZNRGROLJ-UONOGXRCSA-N 1 1 388.455 4.259 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(-n3cccn3)cc2)[C@@H]1c1cccs1 ZINC000174790356 822837251 /nfs/dbraw/zinc/83/72/51/822837251.db2.gz LGEJNIDKFATDHQ-OXQOHEQNSA-N 1 1 395.532 4.138 20 0 GIADMO Cc1cnc([C@H](NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C2CC2)s1 ZINC000174798302 822838469 /nfs/dbraw/zinc/83/84/69/822838469.db2.gz IOLXSVFOXMGIHD-LJQANCHMSA-N 1 1 398.576 4.039 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=S)Nc3ccc4c(c3)CCC4)cc2)CC1 ZINC000053519811 822838588 /nfs/dbraw/zinc/83/85/88/822838588.db2.gz BCAAHLSMGAQDOB-UHFFFAOYSA-N 1 1 380.561 4.126 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=S)Nc1ccc(Cl)cc1Cl ZINC000053522231 822838644 /nfs/dbraw/zinc/83/86/44/822838644.db2.gz BRXNGUGKARKTSZ-UHFFFAOYSA-N 1 1 392.315 4.369 20 0 GIADMO O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000456871630 822839345 /nfs/dbraw/zinc/83/93/45/822839345.db2.gz OESDTVAZWCGFRW-QFUCXCTJSA-N 1 1 390.955 4.126 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826370 822842561 /nfs/dbraw/zinc/84/25/61/822842561.db2.gz METGBVSUTCTVIE-UHFFFAOYSA-N 1 1 390.524 4.119 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)cs2)cc1 ZINC000053611705 822842686 /nfs/dbraw/zinc/84/26/86/822842686.db2.gz WAYMBYFBYCFFLH-LJQANCHMSA-N 1 1 381.476 4.385 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)cs2)cc1 ZINC000053611705 822842690 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4.160 20 0 GIADMO CCSCC[C@@H](C)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000174839368 822844668 /nfs/dbraw/zinc/84/46/68/822844668.db2.gz ZMQULAXXPIVJTJ-LBFURVHYSA-N 1 1 389.609 4.355 20 0 GIADMO O=C(C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1)C(F)(F)F ZINC000186024368 822844732 /nfs/dbraw/zinc/84/47/32/822844732.db2.gz HQMMFDWYCQWOCL-UHFFFAOYSA-N 1 1 387.405 4.345 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC[N@H+]1C ZINC000174841633 822845065 /nfs/dbraw/zinc/84/50/65/822845065.db2.gz DDOKTTJWHHKJMK-JXFKEZNVSA-N 1 1 385.483 4.351 20 0 GIADMO COc1ccccc1OCC[N@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000053709967 822845262 /nfs/dbraw/zinc/84/52/62/822845262.db2.gz FYCSXZXRCQPTMU-OAHLLOKOSA-N 1 1 385.439 4.265 20 0 GIADMO COc1ccccc1OCC[N@@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000053709967 822845266 /nfs/dbraw/zinc/84/52/66/822845266.db2.gz FYCSXZXRCQPTMU-OAHLLOKOSA-N 1 1 385.439 4.265 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000053718448 822845744 /nfs/dbraw/zinc/84/57/44/822845744.db2.gz YAQXYZMOXJJANT-JOCHJYFZSA-N 1 1 377.463 4.029 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000053718448 822845748 /nfs/dbraw/zinc/84/57/48/822845748.db2.gz YAQXYZMOXJJANT-JOCHJYFZSA-N 1 1 377.463 4.029 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(-c3cncnc3)cc2F)C1 ZINC000186045783 822846891 /nfs/dbraw/zinc/84/68/91/822846891.db2.gz PCBWPMWPEFFZRS-MSOLQXFVSA-N 1 1 396.510 4.009 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1OC ZINC000174857923 822847376 /nfs/dbraw/zinc/84/73/76/822847376.db2.gz CNWAGTBXQOHOTH-GOSISDBHSA-N 1 1 385.483 4.210 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000186096147 822851307 /nfs/dbraw/zinc/85/13/07/822851307.db2.gz XZOFZSKFOREJGN-OXJNMPFZSA-N 1 1 394.519 4.114 20 0 GIADMO COC[C@@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000457088066 822851958 /nfs/dbraw/zinc/85/19/58/822851958.db2.gz 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GIADMO Cc1nc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cs1 ZINC000186276271 822868893 /nfs/dbraw/zinc/86/88/93/822868893.db2.gz GWPYXFXYQMWEQE-HXUWFJFHSA-N 1 1 386.565 4.338 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000054224202 822869211 /nfs/dbraw/zinc/86/92/11/822869211.db2.gz TXAZNYNJMOSNDY-RXVVDRJESA-N 1 1 389.499 4.226 20 0 GIADMO Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223411 822869310 /nfs/dbraw/zinc/86/93/10/822869310.db2.gz BCAZUPVDSOAXGJ-MGPUTAFESA-N 1 1 393.462 4.354 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)Nc2cc(C3CC3)ccn2)C[N@H+]1Cc1ccccc1 ZINC000569010755 822869415 /nfs/dbraw/zinc/86/94/15/822869415.db2.gz QSKGOUIWIFMEMU-MJGOQNOKSA-N 1 1 378.520 4.381 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000054225409 822869584 /nfs/dbraw/zinc/86/95/84/822869584.db2.gz AUCZGRHZCPORKV-RDJZCZTQSA-N 1 1 397.569 4.366 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Br)C1 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Cc1noc([C@@H]2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)n1 ZINC000054341679 822876895 /nfs/dbraw/zinc/87/68/95/822876895.db2.gz TVYJNEDBLKGXOK-OAQYLSRUSA-N 1 1 377.488 4.364 20 0 GIADMO CC1(C)OCc2cc(C[N@@H+]3CCCN(C(=O)Oc4ccccc4)CC3)ccc2O1 ZINC000186329303 822877014 /nfs/dbraw/zinc/87/70/14/822877014.db2.gz BVYNMNSEYYZXML-UHFFFAOYSA-N 1 1 396.487 4.038 20 0 GIADMO CC1(C)OCc2cc(C[N@H+]3CCCN(C(=O)Oc4ccccc4)CC3)ccc2O1 ZINC000186329303 822877018 /nfs/dbraw/zinc/87/70/18/822877018.db2.gz BVYNMNSEYYZXML-UHFFFAOYSA-N 1 1 396.487 4.038 20 0 GIADMO CCC[C@@H]([NH2+]Cc1cn(C)nc1C(=O)OCC)c1cccc(C(F)(F)F)c1 ZINC000186331189 822877129 /nfs/dbraw/zinc/87/71/29/822877129.db2.gz QHIDYNXZVCCORF-MRXNPFEDSA-N 1 1 383.414 4.247 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000175091283 822880552 /nfs/dbraw/zinc/88/05/52/822880552.db2.gz GBMDFIFKBNJUDF-UHFFFAOYSA-N 1 1 387.483 4.035 20 0 GIADMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1[nH]ccc1C1CC1 ZINC000457489952 822880881 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c1nc(C2CC2)c(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)s1 ZINC000569180197 822889612 /nfs/dbraw/zinc/88/96/12/822889612.db2.gz CDOPZKZVFNRIJA-IIBYNOLFSA-N 1 1 393.516 4.019 20 0 GIADMO C[C@H]1CN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[N@H+](C2CC2)C1 ZINC000457557728 822890709 /nfs/dbraw/zinc/89/07/09/822890709.db2.gz SQGJMMMIPHUDHB-CXAGYDPISA-N 1 1 379.957 4.003 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000054510975 822891528 /nfs/dbraw/zinc/89/15/28/822891528.db2.gz SNAPRXSTHWBQNW-OAHLLOKOSA-N 1 1 384.351 4.399 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000054510630 822891642 /nfs/dbraw/zinc/89/16/42/822891642.db2.gz VHBQQZPBJPBJQQ-IRXDYDNUSA-N 1 1 386.565 4.211 20 0 GIADMO C[C@@H](c1ccc(NC(=O)NC[C@@H]2CSc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000569199154 822891974 /nfs/dbraw/zinc/89/19/74/822891974.db2.gz UQKXWSANIJOSAW-FUHWJXTLSA-N 1 1 397.544 4.091 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000569200108 822892197 /nfs/dbraw/zinc/89/21/97/822892197.db2.gz CDBCHIVOWYHVDR-HSZRJFAPSA-N 1 1 389.499 4.439 20 0 GIADMO Cc1cc(Br)cc(C)c1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000175155531 822893708 /nfs/dbraw/zinc/89/37/08/822893708.db2.gz DWZBFYUWXCDDDU-MRXNPFEDSA-N 1 1 382.346 4.404 20 0 GIADMO Fc1ccccc1OCc1ccc(-c2noc([C@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000569222116 822894317 /nfs/dbraw/zinc/89/43/17/822894317.db2.gz SHPPZDYJVZGAKA-KRWDZBQOSA-N 1 1 390.418 4.381 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000569232544 822895214 /nfs/dbraw/zinc/89/52/14/822895214.db2.gz FXOHDLNAUNNMQT-DUXKGJEZSA-N 1 1 380.536 4.403 20 0 GIADMO Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000569238250 822895526 /nfs/dbraw/zinc/89/55/26/822895526.db2.gz ISDOPNLLODOYGO-JIPXPUAJSA-N 1 1 384.545 4.215 20 0 GIADMO Cc1cccc(Oc2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)nc2)c1 ZINC000457593660 822895916 /nfs/dbraw/zinc/89/59/16/822895916.db2.gz DWHFRQOFSOIEBX-MOPGFXCFSA-N 1 1 379.504 4.270 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000054606104 822898566 /nfs/dbraw/zinc/89/85/66/822898566.db2.gz LPTYFYMJGWFEBD-CQSZACIVSA-N 1 1 383.883 4.132 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000054609059 822898743 /nfs/dbraw/zinc/89/87/43/822898743.db2.gz QFUGIIKAKNYADP-LJQANCHMSA-N 1 1 395.482 4.301 20 0 GIADMO C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1cc2ccccc2o1 ZINC000175181482 822899192 /nfs/dbraw/zinc/89/91/92/822899192.db2.gz BRQSDNWJCPGZQZ-OAQYLSRUSA-N 1 1 391.496 4.227 20 0 GIADMO C[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1cc2ccccc2o1 ZINC000175181482 822899197 /nfs/dbraw/zinc/89/91/97/822899197.db2.gz BRQSDNWJCPGZQZ-OAQYLSRUSA-N 1 1 391.496 4.227 20 0 GIADMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000569276023 822900105 /nfs/dbraw/zinc/90/01/05/822900105.db2.gz JOIYIPRUFRSUBG-RDTXWAMCSA-N 1 1 385.451 4.309 20 0 GIADMO Cc1cccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000457644660 822900540 /nfs/dbraw/zinc/90/05/40/822900540.db2.gz HEQXVZXNJOLONE-IBGZPJMESA-N 1 1 380.536 4.106 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC[C@@H]21 ZINC000457645548 822900650 /nfs/dbraw/zinc/90/06/50/822900650.db2.gz FWKVBNWTCYQZBG-YWZLYKJASA-N 1 1 385.895 4.084 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC[C@H]21 ZINC000457645542 822900770 /nfs/dbraw/zinc/90/07/70/822900770.db2.gz FWKVBNWTCYQZBG-FOIQADDNSA-N 1 1 385.895 4.084 20 0 GIADMO O=C(c1cnc2ccccc2c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000457647865 822901078 /nfs/dbraw/zinc/90/10/78/822901078.db2.gz IPCDNBIGHKIBOE-URXFXBBRSA-N 1 1 385.511 4.362 20 0 GIADMO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(CCc3ccc(Cl)c(Cl)c3)n1)OC2 ZINC000569290462 822902384 /nfs/dbraw/zinc/90/23/84/822902384.db2.gz VHOFKOOGJDGQIP-YJBOKZPZSA-N 1 1 382.291 4.087 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(CCc3ccc(Cl)c(Cl)c3)n1)OC2 ZINC000569290462 822902387 /nfs/dbraw/zinc/90/23/87/822902387.db2.gz VHOFKOOGJDGQIP-YJBOKZPZSA-N 1 1 382.291 4.087 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)CC(F)(F)F ZINC000457669207 822903892 /nfs/dbraw/zinc/90/38/92/822903892.db2.gz SQUJNFVDVIKPFE-DAYGRLMNSA-N 1 1 385.474 4.037 20 0 GIADMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)CC(F)(F)F ZINC000457669207 822903895 /nfs/dbraw/zinc/90/38/95/822903895.db2.gz SQUJNFVDVIKPFE-DAYGRLMNSA-N 1 1 385.474 4.037 20 0 GIADMO CC(C)n1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000569309927 822905332 /nfs/dbraw/zinc/90/53/32/822905332.db2.gz DHQCLAYQHOQTMX-UHFFFAOYSA-N 1 1 394.567 4.242 20 0 GIADMO CC(C)(C)Oc1ccccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000175212420 822905457 /nfs/dbraw/zinc/90/54/57/822905457.db2.gz KEWJWHGGOVHKPY-IBGZPJMESA-N 1 1 382.504 4.094 20 0 GIADMO CC(C)(C)Oc1ccccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000175212420 822905460 /nfs/dbraw/zinc/90/54/60/822905460.db2.gz KEWJWHGGOVHKPY-IBGZPJMESA-N 1 1 382.504 4.094 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCC[C@@H]1CCCCO1 ZINC000186516988 822907419 /nfs/dbraw/zinc/90/74/19/822907419.db2.gz PTJRKZWUWVYUTM-NRFANRHFSA-N 1 1 399.535 4.060 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCC[C@@H]1CCCCO1 ZINC000186516988 822907424 /nfs/dbraw/zinc/90/74/24/822907424.db2.gz PTJRKZWUWVYUTM-NRFANRHFSA-N 1 1 399.535 4.060 20 0 GIADMO CC[C@H](CC(F)F)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457694807 822907868 /nfs/dbraw/zinc/90/78/68/822907868.db2.gz RSGCCLZKEQMGQB-BTJLNZGRSA-N 1 1 376.850 4.270 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C)c3ccc(C)s3)CC2)cc1 ZINC000054731024 822908357 /nfs/dbraw/zinc/90/83/57/822908357.db2.gz WIVGCFKZQMUCOX-KRWDZBQOSA-N 1 1 387.549 4.044 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000457702877 822908533 /nfs/dbraw/zinc/90/85/33/822908533.db2.gz RTVOICVFYRHAIM-STQMWFEESA-N 1 1 385.371 4.202 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000457702875 822908610 /nfs/dbraw/zinc/90/86/10/822908610.db2.gz RTVOICVFYRHAIM-QWHCGFSZSA-N 1 1 385.371 4.202 20 0 GIADMO Cc1cccc(-c2noc(C[NH2+][C@@H]3CCN(C)[C@@H]3c3ccc(Cl)cc3)n2)c1 ZINC000569341890 822909381 /nfs/dbraw/zinc/90/93/81/822909381.db2.gz WYEWLSCBMDOIIP-UYAOXDASSA-N 1 1 382.895 4.233 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1)C[C@H]1CCCCO1 ZINC000457709719 822909701 /nfs/dbraw/zinc/90/97/01/822909701.db2.gz ODKVRFGPKQSFNJ-PDGJWGCVSA-N 1 1 398.547 4.020 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)CC[N@H+]1C ZINC000175243357 822912471 /nfs/dbraw/zinc/91/24/71/822912471.db2.gz OKDLLYVSHILHGH-LZNRXBQRSA-N 1 1 383.511 4.234 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@@H]1c1cccn1C ZINC000175252397 822914720 /nfs/dbraw/zinc/91/47/20/822914720.db2.gz MFFIOESCXGBOEC-JOCHJYFZSA-N 1 1 382.552 4.302 20 0 GIADMO CC[C@@H](NC(=O)c1ccccc1)c1noc([C@H](c2ccccc2)[NH+](CC)CC)n1 ZINC000569390593 822915370 /nfs/dbraw/zinc/91/53/70/822915370.db2.gz KHJRZUMSVGFAOQ-UXHICEINSA-N 1 1 392.503 4.382 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)CCN2CCN(C)CC2)CCC3)cc1 ZINC000186575778 822916246 /nfs/dbraw/zinc/91/62/46/822916246.db2.gz IYOYVPXBVISHHY-AZUAARDMSA-N 1 1 398.620 4.112 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)COc3cccc4cccnc43)cc2)C1 ZINC000569400355 822917102 /nfs/dbraw/zinc/91/71/02/822917102.db2.gz QOWGWURRQDDOCV-GOSISDBHSA-N 1 1 389.499 4.484 20 0 GIADMO CC1CC[NH+](Cc2ccc(CNCc3cncc(Br)c3)cc2)CC1 ZINC000186583028 822917235 /nfs/dbraw/zinc/91/72/35/822917235.db2.gz IDFNSQJXLDMWBY-UHFFFAOYSA-N 1 1 388.353 4.366 20 0 GIADMO COc1ccccc1-c1nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(=S)n1C ZINC000175261664 822918237 /nfs/dbraw/zinc/91/82/37/822918237.db2.gz DRXZGEJDTQORNB-WMZOPIPTSA-N 1 1 394.544 4.462 20 0 GIADMO COc1ccccc1-c1nn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c(=S)n1C ZINC000175261664 822918238 /nfs/dbraw/zinc/91/82/38/822918238.db2.gz DRXZGEJDTQORNB-WMZOPIPTSA-N 1 1 394.544 4.462 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000457785948 822919321 /nfs/dbraw/zinc/91/93/21/822919321.db2.gz MBFFKXFBJKGSRG-NBYUQASBSA-N 1 1 375.944 4.292 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(N3CCOC3=O)ccc2C)cc1)C(C)C ZINC000175266705 822919515 /nfs/dbraw/zinc/91/95/15/822919515.db2.gz BDGFPPCSCPKVIR-UHFFFAOYSA-N 1 1 395.503 4.434 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)nnn1-c1ccc(Cl)cc1 ZINC000186602106 822921707 /nfs/dbraw/zinc/92/17/07/822921707.db2.gz PIBMZECRCRQLQT-AWEZNQCLSA-N 1 1 384.911 4.307 20 0 GIADMO CCCc1nc(C)c(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000175274253 822921729 /nfs/dbraw/zinc/92/17/29/822921729.db2.gz FYBBZUMYOCGKIP-LJQANCHMSA-N 1 1 385.577 4.388 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N(Cc3ccco3)C3CCCC3)CC2)[nH+]c1 ZINC000175276180 822921911 /nfs/dbraw/zinc/92/19/11/822921911.db2.gz OZQMZSMDFUJDIQ-UHFFFAOYSA-N 1 1 382.508 4.106 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000175277800 822922555 /nfs/dbraw/zinc/92/25/55/822922555.db2.gz GBOVSSLIEYPUTL-NRFANRHFSA-N 1 1 389.543 4.389 20 0 GIADMO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(c1ccccc1)c1ccccc1 ZINC000457821735 822922808 /nfs/dbraw/zinc/92/28/08/822922808.db2.gz XHULYBWTFONPDL-AMZGXZFVSA-N 1 1 377.532 4.131 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1coc(Br)c1 ZINC000175282291 822923521 /nfs/dbraw/zinc/92/35/21/822923521.db2.gz MQCZMSVWXCWQMS-INIZCTEOSA-N 1 1 391.309 4.026 20 0 GIADMO COCc1cccc(OCC2(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)CCC2)c1 ZINC000569445454 822924399 /nfs/dbraw/zinc/92/43/99/822924399.db2.gz XTWFWAKUHPXZFZ-IBGZPJMESA-N 1 1 389.927 4.179 20 0 GIADMO O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000569449129 822924828 /nfs/dbraw/zinc/92/48/28/822924828.db2.gz WBNWZOSIADXMJO-GOTSBHOMSA-N 1 1 389.543 4.090 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2c1cccc2C ZINC000175290663 822926130 /nfs/dbraw/zinc/92/61/30/822926130.db2.gz PPLFHXFQAACCJL-OAQYLSRUSA-N 1 1 389.543 4.389 20 0 GIADMO C[C@H]1C[C@H](NC(=O)NCCc2c[nH]c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000175291365 822926284 /nfs/dbraw/zinc/92/62/84/822926284.db2.gz HMPGNCSKESVADX-GHTZIAJQSA-N 1 1 390.531 4.063 20 0 GIADMO CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000175294803 822927172 /nfs/dbraw/zinc/92/71/72/822927172.db2.gz ZQZRENRIMAUNBJ-MSOLQXFVSA-N 1 1 393.622 4.421 20 0 GIADMO CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000569476783 822927646 /nfs/dbraw/zinc/92/76/46/822927646.db2.gz RHNGDUFDAPTTTF-IEBWSBKVSA-N 1 1 387.597 4.041 20 0 GIADMO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569496145 822929857 /nfs/dbraw/zinc/92/98/57/822929857.db2.gz NZTUKGWUGHOCHD-BTYIYWSLSA-N 1 1 382.891 4.154 20 0 GIADMO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569496145 822929859 /nfs/dbraw/zinc/92/98/59/822929859.db2.gz NZTUKGWUGHOCHD-BTYIYWSLSA-N 1 1 382.891 4.154 20 0 GIADMO CCc1cccc(CC)c1NC(=S)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000055005178 822930025 /nfs/dbraw/zinc/93/00/25/822930025.db2.gz RGVJQECDLADROT-UHFFFAOYSA-N 1 1 397.588 4.495 20 0 GIADMO Cc1cc(C)c(NC(=S)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 ZINC000055009267 822930337 /nfs/dbraw/zinc/93/03/37/822930337.db2.gz RPMPCNBPVHCOCS-HUUCEWRRSA-N 1 1 383.989 4.131 20 0 GIADMO Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@]4(C3)OCc3ccccc34)n2)cc1F ZINC000186656035 822930435 /nfs/dbraw/zinc/93/04/35/822930435.db2.gz BAVQMFFQGNCKJU-QHCPKHFHSA-N 1 1 393.462 4.248 20 0 GIADMO C[C@@H](Cc1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)Cc1ccc(Cl)cc1 ZINC000569505893 822931285 /nfs/dbraw/zinc/93/12/85/822931285.db2.gz MEQOLRWAPRWMER-WIBUTAKZSA-N 1 1 375.900 4.070 20 0 GIADMO C[C@@H](Cc1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1)Cc1ccc(Cl)cc1 ZINC000569505893 822931289 /nfs/dbraw/zinc/93/12/89/822931289.db2.gz MEQOLRWAPRWMER-WIBUTAKZSA-N 1 1 375.900 4.070 20 0 GIADMO COc1ccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1SC ZINC000457904791 822931979 /nfs/dbraw/zinc/93/19/79/822931979.db2.gz SKMUSCSEGJPDGF-UHFFFAOYSA-N 1 1 391.562 4.033 20 0 GIADMO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2nccc(OC)c2OC)cc1 ZINC000569512590 822932603 /nfs/dbraw/zinc/93/26/03/822932603.db2.gz IGGFUGHSDXRAJI-FQEVSTJZSA-N 1 1 378.472 4.181 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2cc(Cl)sc2[nH]1 ZINC000569518597 822933598 /nfs/dbraw/zinc/93/35/98/822933598.db2.gz RSNVIPVNELPTON-AWEZNQCLSA-N 1 1 377.897 4.433 20 0 GIADMO c1csc(-c2nn(Cc3ccccc3)cc2CNC2CC[NH+](C3CC3)CC2)c1 ZINC000055043156 822933658 /nfs/dbraw/zinc/93/36/58/822933658.db2.gz WEOVVHLLTSFIQX-UHFFFAOYSA-N 1 1 392.572 4.376 20 0 GIADMO CC[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000569533869 822936077 /nfs/dbraw/zinc/93/60/77/822936077.db2.gz QNXREFYFNKDJTM-QKFKETGDSA-N 1 1 378.365 4.381 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186689891 822938077 /nfs/dbraw/zinc/93/80/77/822938077.db2.gz BISAZQRDYFDWEN-VBKZILBWSA-N 1 1 390.405 4.164 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186689891 822938082 /nfs/dbraw/zinc/93/80/82/822938082.db2.gz BISAZQRDYFDWEN-VBKZILBWSA-N 1 1 390.405 4.164 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457939339 822940831 /nfs/dbraw/zinc/94/08/31/822940831.db2.gz POXUCTKBGMAAGA-WMZOPIPTSA-N 1 1 386.565 4.304 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000055152461 822941179 /nfs/dbraw/zinc/94/11/79/822941179.db2.gz SUDZWASMFKCNSU-STQMWFEESA-N 1 1 394.874 4.483 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000175352851 822942660 /nfs/dbraw/zinc/94/26/60/822942660.db2.gz SDBRSFCMERBLDR-VFNWGFHPSA-N 1 1 393.466 4.008 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC[N@H+]1C ZINC000175353242 822942681 /nfs/dbraw/zinc/94/26/81/822942681.db2.gz PKEAFLUJHBLHJA-QRWLVFNGSA-N 1 1 398.482 4.024 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000569626427 822946845 /nfs/dbraw/zinc/94/68/45/822946845.db2.gz JLCCKSZUXZMSRM-UGSOOPFHSA-N 1 1 384.351 4.474 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)cc1 ZINC000055226808 822947001 /nfs/dbraw/zinc/94/70/01/822947001.db2.gz MZMVBQADTBJGAC-UHFFFAOYSA-N 1 1 383.536 4.043 20 0 GIADMO Cc1cccc(Oc2ncccc2NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000175379602 822952191 /nfs/dbraw/zinc/95/21/91/822952191.db2.gz ALXFXZDIVRFKJO-SJLPKXTDSA-N 1 1 382.508 4.437 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1OC(F)F ZINC000175388450 822955353 /nfs/dbraw/zinc/95/53/53/822955353.db2.gz WXTBALIYOSCEQX-ZBSNKRKSSA-N 1 1 383.460 4.227 20 0 GIADMO Cc1ccccc1[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCC(C)CC1 ZINC000569687288 822955487 /nfs/dbraw/zinc/95/54/87/822955487.db2.gz YPJLXSKTKKBUHP-CWZMJNCASA-N 1 1 381.568 4.237 20 0 GIADMO Cc1cc(C)c2[nH+]cc(C(=O)[O-])c(N3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2c1 ZINC000569696917 822956399 /nfs/dbraw/zinc/95/63/99/822956399.db2.gz FNIWYYOMDHWYHG-GOSISDBHSA-N 1 1 389.499 4.261 20 0 GIADMO FC(F)c1c(-c2nc(-c3cccc4[nH]ccc43)no2)cnn1-c1cc[nH+]cc1 ZINC000569702137 822956717 /nfs/dbraw/zinc/95/67/17/822956717.db2.gz LEQAUPLUYVQGTG-UHFFFAOYSA-N 1 1 378.342 4.403 20 0 GIADMO Cc1nc(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)sc1C ZINC000175394581 822958001 /nfs/dbraw/zinc/95/80/01/822958001.db2.gz HCQVUETZOPPOPU-OAHLLOKOSA-N 1 1 386.565 4.134 20 0 GIADMO Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccccc1 ZINC000055407071 822958225 /nfs/dbraw/zinc/95/82/25/822958225.db2.gz IRINSOWFTLAXDK-HKUYNNGSSA-N 1 1 393.531 4.098 20 0 GIADMO COC(=O)c1cc2cc(C[N@@H+](C)[C@@H](C)c3ccc([S@](C)=O)cc3)ccc2o1 ZINC000175398554 822958932 /nfs/dbraw/zinc/95/89/32/822958932.db2.gz LROKOOCNVWDXIQ-PWFNWSNSSA-N 1 1 385.485 4.150 20 0 GIADMO COc1ccccc1C[C@@H](C)N(C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000175400562 822959702 /nfs/dbraw/zinc/95/97/02/822959702.db2.gz JDPGXSKCGCQWQU-LJQANCHMSA-N 1 1 397.563 4.308 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(S(C)(=O)=O)cc2F)C1 ZINC000569730956 822960005 /nfs/dbraw/zinc/96/00/05/822960005.db2.gz MUJUYLVHBRQEML-MRXNPFEDSA-N 1 1 390.524 4.073 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1Br ZINC000175403508 822960440 /nfs/dbraw/zinc/96/04/40/822960440.db2.gz TWDWGTSJABSGBU-NPMABZOXSA-N 1 1 396.350 4.388 20 0 GIADMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000175406681 822960960 /nfs/dbraw/zinc/96/09/60/822960960.db2.gz CIIOFVTWRVMPOD-JKFGOPGYSA-N 1 1 394.581 4.064 20 0 GIADMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569738801 822961479 /nfs/dbraw/zinc/96/14/79/822961479.db2.gz GMKAWURBISOZEZ-AEFFLSMTSA-N 1 1 379.529 4.338 20 0 GIADMO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000186828014 822962801 /nfs/dbraw/zinc/96/28/01/822962801.db2.gz HFUZFGCVTFXPJI-ZDUSSCGKSA-N 1 1 379.888 4.150 20 0 GIADMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC000175414577 822963220 /nfs/dbraw/zinc/96/32/20/822963220.db2.gz CMJMJXOZFMENRN-PSUVCQILSA-N 1 1 397.540 4.010 20 0 GIADMO Cc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1NC(=O)Nc1ccccc1 ZINC000458156322 822963409 /nfs/dbraw/zinc/96/34/09/822963409.db2.gz BPSXSGXKMBDJLW-SFHVURJKSA-N 1 1 394.519 4.101 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186840038 822965386 /nfs/dbraw/zinc/96/53/86/822965386.db2.gz OIONNEGOKIYTNQ-SJORKVTESA-N 1 1 376.566 4.125 20 0 GIADMO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458178198 822965578 /nfs/dbraw/zinc/96/55/78/822965578.db2.gz WEXMESROPMUIID-GFCCVEGCSA-N 1 1 385.455 4.085 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(OC4CCCCC4)c3)n1)OC2 ZINC000569766699 822965782 /nfs/dbraw/zinc/96/57/82/822965782.db2.gz JPETYPRKJWLHMK-UGKGYDQZSA-N 1 1 383.492 4.374 20 0 GIADMO Clc1ccc(C[N@@H+]2CCCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000055504693 822972459 /nfs/dbraw/zinc/97/24/59/822972459.db2.gz PKXZGPPIIRSKSM-UHFFFAOYSA-N 1 1 388.924 4.159 20 0 GIADMO Clc1ccc(C[N@H+]2CCCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 ZINC000055504693 822972461 /nfs/dbraw/zinc/97/24/61/822972461.db2.gz PKXZGPPIIRSKSM-UHFFFAOYSA-N 1 1 388.924 4.159 20 0 GIADMO CN1C(=O)CCc2cc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)ccc21 ZINC000186876971 822972911 /nfs/dbraw/zinc/97/29/11/822972911.db2.gz MZJGVSNDYQRLJW-SFHVURJKSA-N 1 1 375.472 4.116 20 0 GIADMO C[C@@H](C1CC1)N(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CC1 ZINC000175454106 822972935 /nfs/dbraw/zinc/97/29/35/822972935.db2.gz BCKHNZAUTGYCJQ-KRWDZBQOSA-N 1 1 381.520 4.384 20 0 GIADMO C[C@@H](C1CC1)N(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000175454106 822972938 /nfs/dbraw/zinc/97/29/38/822972938.db2.gz BCKHNZAUTGYCJQ-KRWDZBQOSA-N 1 1 381.520 4.384 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NCc2cccc3cccnc32)CC[N@H+]1Cc1ccccc1 ZINC000175461797 822974823 /nfs/dbraw/zinc/97/48/23/822974823.db2.gz QDZSFAPPTXODSP-XMSQKQJNSA-N 1 1 388.515 4.087 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)NCCCCn3cc[nH+]c3C)cc2)cc1 ZINC000175465039 822975690 /nfs/dbraw/zinc/97/56/90/822975690.db2.gz AWYJEXRUKYYTKA-UHFFFAOYSA-N 1 1 392.503 4.147 20 0 GIADMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CC(c2cccc(Cl)c2)C1 ZINC000458267598 822975691 /nfs/dbraw/zinc/97/56/91/822975691.db2.gz PSTLUIVLHPFTCR-IBGZPJMESA-N 1 1 397.950 4.013 20 0 GIADMO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000569857931 822976834 /nfs/dbraw/zinc/97/68/34/822976834.db2.gz LKBNSMFIQVUSRH-WZONZLPQSA-N 1 1 393.531 4.109 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc3c2CC(=O)CC3)cc1 ZINC000569859729 822977413 /nfs/dbraw/zinc/97/74/13/822977413.db2.gz IUFLDGIKASWTHI-QGZVFWFLSA-N 1 1 376.500 4.371 20 0 GIADMO CCC[N@@H+](C)[C@@H](CNC(=O)c1nc(C2CC2)oc1C)c1ccc(Cl)cc1 ZINC000569874942 822979482 /nfs/dbraw/zinc/97/94/82/822979482.db2.gz DJMBYGGDDVFKES-KRWDZBQOSA-N 1 1 375.900 4.327 20 0 GIADMO Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000569891615 822981428 /nfs/dbraw/zinc/98/14/28/822981428.db2.gz BCZJHKZRSFNHKI-MRXNPFEDSA-N 1 1 385.556 4.328 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CCC(c4ccsc4)CC3)CC2)[nH+]c1 ZINC000186927568 822981589 /nfs/dbraw/zinc/98/15/89/822981589.db2.gz PGDHKRHMONXMRX-UHFFFAOYSA-N 1 1 384.549 4.010 20 0 GIADMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000569904520 822983751 /nfs/dbraw/zinc/98/37/51/822983751.db2.gz NUIJMUCYLNYNFW-KRWDZBQOSA-N 1 1 386.377 4.321 20 0 GIADMO CC[C@H](C)[C@@H](C)N(C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000175501336 822984763 /nfs/dbraw/zinc/98/47/63/822984763.db2.gz OXDJHNAYUWAPJD-DOTOQJQBSA-N 1 1 390.572 4.112 20 0 GIADMO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)cc1 ZINC000186958126 822986976 /nfs/dbraw/zinc/98/69/76/822986976.db2.gz ZKVSAXWNSPFXDJ-LBPRGKRZSA-N 1 1 394.288 4.429 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000175524886 822990589 /nfs/dbraw/zinc/99/05/89/822990589.db2.gz FEMJJFNOPYLKOH-UXHICEINSA-N 1 1 389.609 4.465 20 0 GIADMO CCSCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000055641709 822991116 /nfs/dbraw/zinc/99/11/16/822991116.db2.gz MMRXJSDCBSIYIA-UHFFFAOYSA-N 1 1 398.572 4.296 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OC(F)F)c3cccnc23)[C@H](C)C1 ZINC000186979490 822991315 /nfs/dbraw/zinc/99/13/15/822991315.db2.gz AEAICKAPQAOEJA-CJNGLKHVSA-N 1 1 392.450 4.030 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cnn(-c3ccc(C)cc3)c1C(C)C)C2 ZINC000569979034 822992501 /nfs/dbraw/zinc/99/25/01/822992501.db2.gz LBDQYLOKVJEXHR-KRWDZBQOSA-N 1 1 377.492 4.010 20 0 GIADMO COc1cc(C[N@H+]2CC[C@@H](COC(F)F)C2)ccc1OCc1ccc(F)cc1 ZINC000569982889 822993207 /nfs/dbraw/zinc/99/32/07/822993207.db2.gz IOWJZXYYNKPTTI-QGZVFWFLSA-N 1 1 395.421 4.474 20 0 GIADMO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1nc2c(s1)CCCC2 ZINC000175549872 822995464 /nfs/dbraw/zinc/99/54/64/822995464.db2.gz IIRMRFFBKDJXJT-UHFFFAOYSA-N 1 1 381.904 4.275 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1nc2c(s1)CCCC2 ZINC000175549872 822995466 /nfs/dbraw/zinc/99/54/66/822995466.db2.gz IIRMRFFBKDJXJT-UHFFFAOYSA-N 1 1 381.904 4.275 20 0 GIADMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccc1 ZINC000570008514 822996172 /nfs/dbraw/zinc/99/61/72/822996172.db2.gz DARBJXUIFGJRSN-VGSWGCGISA-N 1 1 386.561 4.343 20 0 GIADMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccc1 ZINC000570008510 822996328 /nfs/dbraw/zinc/99/63/28/822996328.db2.gz DARBJXUIFGJRSN-JTSKRJEESA-N 1 1 386.561 4.343 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NCc2cc(-c3ccc(Cl)cc3)no2)[C@H](C)C1 ZINC000187010663 822997011 /nfs/dbraw/zinc/99/70/11/822997011.db2.gz AYXKQJMHPMYESO-UZLBHIALSA-N 1 1 391.943 4.222 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCCCc1ccc(Cl)cc1Cl ZINC000175568004 822999225 /nfs/dbraw/zinc/99/92/25/822999225.db2.gz GUUMFJXEUJQJLP-UHFFFAOYSA-N 1 1 383.323 4.211 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000175580422 823001557 /nfs/dbraw/zinc/00/15/57/823001557.db2.gz RDRGOOAEMKXHKB-SFHVURJKSA-N 1 1 388.471 4.490 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000175580422 823001561 /nfs/dbraw/zinc/00/15/61/823001561.db2.gz RDRGOOAEMKXHKB-SFHVURJKSA-N 1 1 388.471 4.490 20 0 GIADMO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCO[C@@H](C(C)C)C2)c1 ZINC000570063116 823001850 /nfs/dbraw/zinc/00/18/50/823001850.db2.gz NVGHPLCYIHOFAO-FGZHOGPDSA-N 1 1 382.504 4.122 20 0 GIADMO COc1ccc2sc(C(=O)N(C)CCC[N@@H+](C)Cc3ccncc3)c(C)c2c1 ZINC000570066867 823002546 /nfs/dbraw/zinc/00/25/46/823002546.db2.gz JEAZJLXSDMGOBF-UHFFFAOYSA-N 1 1 397.544 4.207 20 0 GIADMO CCC(CC)c1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)on1 ZINC000175587353 823002747 /nfs/dbraw/zinc/00/27/47/823002747.db2.gz IKDSQVCMEVLEDU-YLJYHZDGSA-N 1 1 398.551 4.431 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F)CC2 ZINC000570099397 823005681 /nfs/dbraw/zinc/00/56/81/823005681.db2.gz YKRDKOPKWOUBKW-VNHYZAJKSA-N 1 1 379.426 4.081 20 0 GIADMO COc1c(Br)cccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000187085093 823008606 /nfs/dbraw/zinc/00/86/06/823008606.db2.gz LXLPFJCUIYNSHT-QGZVFWFLSA-N 1 1 398.341 4.008 20 0 GIADMO COc1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000175631086 823009831 /nfs/dbraw/zinc/00/98/31/823009831.db2.gz BGZYPGRGGHYOSQ-KNQAVFIVSA-N 1 1 395.547 4.198 20 0 GIADMO COc1c(Br)cccc1C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000187094636 823009863 /nfs/dbraw/zinc/00/98/63/823009863.db2.gz MSPONVVMERAISG-NPMABZOXSA-N 1 1 396.350 4.388 20 0 GIADMO COc1c(Br)cccc1C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000187094636 823009866 /nfs/dbraw/zinc/00/98/66/823009866.db2.gz MSPONVVMERAISG-NPMABZOXSA-N 1 1 396.350 4.388 20 0 GIADMO Cc1ccc([C@H](C[NH2+][C@H](C)c2ncc(Br)cc2F)N(C)C)cc1 ZINC000187109977 823011679 /nfs/dbraw/zinc/01/16/79/823011679.db2.gz WPQJTFSJIXRRFW-DYVFJYSZSA-N 1 1 380.305 4.245 20 0 GIADMO CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175642341 823011675 /nfs/dbraw/zinc/01/16/75/823011675.db2.gz YHKWOZMPBIYVPJ-STZQEDGTSA-N 1 1 380.536 4.227 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)CC2)cs1 ZINC000175650272 823012870 /nfs/dbraw/zinc/01/28/70/823012870.db2.gz GTLAMKVZSCYFPT-DNVCBOLYSA-N 1 1 387.549 4.256 20 0 GIADMO CSCc1cnc(CNC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)s1 ZINC000570184313 823013209 /nfs/dbraw/zinc/01/32/09/823013209.db2.gz VOQJRYBLOMSATA-HNNXBMFYSA-N 1 1 389.512 4.417 20 0 GIADMO CCOC(=O)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000570190942 823013662 /nfs/dbraw/zinc/01/36/62/823013662.db2.gz XVWZPDQHIQYBJJ-CVDCTZTESA-N 1 1 380.532 4.313 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1c(F)c(F)cc(F)c1F ZINC000175665121 823015740 /nfs/dbraw/zinc/01/57/40/823015740.db2.gz VJZUENYZTPABLI-UHFFFAOYSA-N 1 1 384.398 4.044 20 0 GIADMO O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000570216376 823015941 /nfs/dbraw/zinc/01/59/41/823015941.db2.gz PYCOSVSAWHGRPT-CBGDNZLLSA-N 1 1 380.536 4.112 20 0 GIADMO CCN(C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)[C@@H](C)Cc1ccsc1 ZINC000187142888 823016981 /nfs/dbraw/zinc/01/69/81/823016981.db2.gz KCTCUAVJPBHBDA-KRWDZBQOSA-N 1 1 386.565 4.083 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187147554 823017512 /nfs/dbraw/zinc/01/75/12/823017512.db2.gz IHHFRIWLAIORHO-GOSISDBHSA-N 1 1 377.532 4.440 20 0 GIADMO COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)n1 ZINC000570242305 823018188 /nfs/dbraw/zinc/01/81/88/823018188.db2.gz HQFLLXCGRNLBIU-KRWDZBQOSA-N 1 1 392.503 4.178 20 0 GIADMO Cc1nc(C)c([C@H](C)[N@H+](C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)s1 ZINC000570244338 823018556 /nfs/dbraw/zinc/01/85/56/823018556.db2.gz ZLGPTUJZANUQQL-ZBEGNZNMSA-N 1 1 381.904 4.351 20 0 GIADMO Cc1nc(C)c([C@H](C)[N@@H+](C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)s1 ZINC000570244338 823018559 /nfs/dbraw/zinc/01/85/59/823018559.db2.gz ZLGPTUJZANUQQL-ZBEGNZNMSA-N 1 1 381.904 4.351 20 0 GIADMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C1 ZINC000570248673 823019143 /nfs/dbraw/zinc/01/91/43/823019143.db2.gz ORALHRBBLFCBHG-QHCPKHFHSA-N 1 1 387.495 4.398 20 0 GIADMO O=C(C/C=C/c1ccccc1F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000175691304 823021424 /nfs/dbraw/zinc/02/14/24/823021424.db2.gz PHFCFWORNMJUCC-HWKANZROSA-N 1 1 388.433 4.288 20 0 GIADMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000570284893 823022287 /nfs/dbraw/zinc/02/22/87/823022287.db2.gz MQIIXLLPPHXYNS-CQSZACIVSA-N 1 1 387.446 4.490 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H]3CC[C@H](C(F)(F)F)C3)C2)s1 ZINC000570286418 823022411 /nfs/dbraw/zinc/02/24/11/823022411.db2.gz SYSDYDIKRJTWQR-PMPSAXMXSA-N 1 1 388.499 4.315 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000570321852 823025673 /nfs/dbraw/zinc/02/56/73/823025673.db2.gz WEPNXTZMZLCKNU-HXUWFJFHSA-N 1 1 399.922 4.082 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000175716615 823026295 /nfs/dbraw/zinc/02/62/95/823026295.db2.gz OJUPHQWMGALYLW-SUMWQHHRSA-N 1 1 380.414 4.146 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2ncc(Br)cc2F)c2ccccc2n1 ZINC000187257368 823031549 /nfs/dbraw/zinc/03/15/49/823031549.db2.gz NHKGRYJUVOGJEI-LLVKDONJSA-N 1 1 390.256 4.391 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CC[C@@H]1C1CC1 ZINC000458370984 823033350 /nfs/dbraw/zinc/03/33/50/823033350.db2.gz UEGUMCNJEPVHRB-GOSISDBHSA-N 1 1 382.335 4.152 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000175761960 823033836 /nfs/dbraw/zinc/03/38/36/823033836.db2.gz BZBLQAYVFLGLPO-LSDHHAIUSA-N 1 1 392.459 4.031 20 0 GIADMO CC[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1nc(C(F)(F)F)cs1 ZINC000187275353 823035330 /nfs/dbraw/zinc/03/53/30/823035330.db2.gz APVHUWXARXJJNL-ZDUSSCGKSA-N 1 1 383.439 4.312 20 0 GIADMO C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175769634 823035864 /nfs/dbraw/zinc/03/58/64/823035864.db2.gz GRTIPCJCDHBFSS-KRWDZBQOSA-N 1 1 381.545 4.214 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000458413835 823037702 /nfs/dbraw/zinc/03/77/02/823037702.db2.gz CHOZYSLBUVWBPT-DHIUTWEWSA-N 1 1 393.531 4.242 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000458413835 823037703 /nfs/dbraw/zinc/03/77/03/823037703.db2.gz CHOZYSLBUVWBPT-DHIUTWEWSA-N 1 1 393.531 4.242 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)NC3(C(C)(C)c4ccccc4)CC3)CC2)[nH+]1 ZINC000458411674 823037815 /nfs/dbraw/zinc/03/78/15/823037815.db2.gz ZVGODQHJINOYJH-UHFFFAOYSA-N 1 1 392.547 4.168 20 0 GIADMO COc1cc(CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1C ZINC000175778721 823038194 /nfs/dbraw/zinc/03/81/94/823038194.db2.gz BMIJNUUMIRLXFX-INIZCTEOSA-N 1 1 378.476 4.058 20 0 GIADMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000055758637 823038739 /nfs/dbraw/zinc/03/87/39/823038739.db2.gz CKJHUJXHIBDYQB-CEXWTWQISA-N 1 1 383.536 4.147 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000458436882 823040181 /nfs/dbraw/zinc/04/01/81/823040181.db2.gz RSJUCIGEVBYWFU-QHCPKHFHSA-N 1 1 388.515 4.329 20 0 GIADMO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000187307674 823040557 /nfs/dbraw/zinc/04/05/57/823040557.db2.gz CHUPZINYDANCLX-MRXNPFEDSA-N 1 1 387.833 4.038 20 0 GIADMO COc1ccncc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000570459324 823040710 /nfs/dbraw/zinc/04/07/10/823040710.db2.gz HKTBLWWYMHJFDN-HNNXBMFYSA-N 1 1 384.867 4.173 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@]3(CCSC3)C2)[C@H]1c1cccs1 ZINC000458443057 823040920 /nfs/dbraw/zinc/04/09/20/823040920.db2.gz WTGREBMEJJFEOJ-KPFFTGBYSA-N 1 1 393.622 4.060 20 0 GIADMO CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C(F)(F)F)c3C)CC2)CC1 ZINC000570462798 823040981 /nfs/dbraw/zinc/04/09/81/823040981.db2.gz WSDUPFQHVVMAES-UHFFFAOYSA-N 1 1 397.485 4.149 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)nc2C)cc1 ZINC000175797105 823042620 /nfs/dbraw/zinc/04/26/20/823042620.db2.gz QQMHCXOVSMCNNP-GFCCVEGCSA-N 1 1 388.393 4.394 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000123802717 823541991 /nfs/dbraw/zinc/54/19/91/823541991.db2.gz BQKLTKATPFXEGL-FQEVSTJZSA-N 1 1 397.910 4.061 20 0 GIADMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000060558944 823542218 /nfs/dbraw/zinc/54/22/18/823542218.db2.gz COFLXBYSBKPXGA-RXVVDRJESA-N 1 1 394.515 4.204 20 0 GIADMO O=C(c1c2c(nc3ccccc31)CCC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000060559735 823542344 /nfs/dbraw/zinc/54/23/44/823542344.db2.gz ICSFQFPZJSKJAS-UHFFFAOYSA-N 1 1 391.559 4.452 20 0 GIADMO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCC2 ZINC000177895023 823542866 /nfs/dbraw/zinc/54/28/66/823542866.db2.gz GQLDOBLITLJOEV-GOEBONIOSA-N 1 1 379.570 4.272 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cc(F)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123817405 823542918 /nfs/dbraw/zinc/54/29/18/823542918.db2.gz RMTKSSAQLPHVQM-RBZFPXEDSA-N 1 1 396.840 4.109 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1Cl ZINC000177895522 823543130 /nfs/dbraw/zinc/54/31/30/823543130.db2.gz AUDHTQBTAVPPCJ-CQSZACIVSA-N 1 1 396.915 4.114 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc2)CC1 ZINC000177901746 823543798 /nfs/dbraw/zinc/54/37/98/823543798.db2.gz WQJJPFQMSYCKCA-UHFFFAOYSA-N 1 1 395.400 4.239 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc3ncccc3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123839417 823544622 /nfs/dbraw/zinc/54/46/22/823544622.db2.gz MMQUKOLPVCBHKD-UTKZUKDTSA-N 1 1 397.881 4.450 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060580728 823544604 /nfs/dbraw/zinc/54/46/04/823544604.db2.gz NQIGFANDDWIYRQ-IBGZPJMESA-N 1 1 388.458 4.159 20 0 GIADMO COC1CCC(CC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000123853464 823545832 /nfs/dbraw/zinc/54/58/32/823545832.db2.gz AZQJNDRYYBUVBS-PEGVVKOVSA-N 1 1 396.934 4.183 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123856565 823546541 /nfs/dbraw/zinc/54/65/41/823546541.db2.gz IWQSGUZWEZHZEX-NYHFZMIOSA-N 1 1 399.897 4.312 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)Nc1ccc2cc(Br)ccc2c1 ZINC000177936826 823548325 /nfs/dbraw/zinc/54/83/25/823548325.db2.gz MZTSGLYERSJHTM-UHFFFAOYSA-N 1 1 391.309 4.043 20 0 GIADMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncoc1-c1ccccc1Cl ZINC000460956031 823550154 /nfs/dbraw/zinc/55/01/54/823550154.db2.gz GKKWQEKNIITOCA-ZNMIVQPWSA-N 1 1 375.900 4.091 20 0 GIADMO COCc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123905376 823550556 /nfs/dbraw/zinc/55/05/56/823550556.db2.gz ZUTJGVGEPBSJMC-QRWLVFNGSA-N 1 1 390.886 4.048 20 0 GIADMO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460962880 823551504 /nfs/dbraw/zinc/55/15/04/823551504.db2.gz XAUXTBOGASHYAI-ZIFCJYIRSA-N 1 1 387.568 4.076 20 0 GIADMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC1CCC2(CC1)OCCO2 ZINC000190225959 823552695 /nfs/dbraw/zinc/55/26/95/823552695.db2.gz NVGAQLCTTQFZIO-UHFFFAOYSA-N 1 1 387.499 4.014 20 0 GIADMO CC(C)CC(=O)Nc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1F ZINC000460971266 823553309 /nfs/dbraw/zinc/55/33/09/823553309.db2.gz SZRNPMNVWOJBJB-INIZCTEOSA-N 1 1 391.531 4.051 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)N[C@H](c2cccs2)c2ccccc2)on1 ZINC000411172459 823554243 /nfs/dbraw/zinc/55/42/43/823554243.db2.gz LWLOFYXOSSWPLE-AVRDEDQJSA-N 1 1 395.528 4.477 20 0 GIADMO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000123948296 823554321 /nfs/dbraw/zinc/55/43/21/823554321.db2.gz CCUQFRLYWORWSN-MGPUTAFESA-N 1 1 390.886 4.219 20 0 GIADMO COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(F)c1 ZINC000123957529 823555226 /nfs/dbraw/zinc/55/52/26/823555226.db2.gz CFSKHLPJJVXMEB-YJYMSZOUSA-N 1 1 394.849 4.050 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c1 ZINC000123971194 823556679 /nfs/dbraw/zinc/55/66/79/823556679.db2.gz YHUUSLSZQWNHBT-UHFFFAOYSA-N 1 1 397.504 4.183 20 0 GIADMO O=C(C[C@H](c1ccc(O)cc1)C1CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000411202102 823556880 /nfs/dbraw/zinc/55/68/80/823556880.db2.gz UUHSRXPKJNHTPN-QHCPKHFHSA-N 1 1 378.516 4.010 20 0 GIADMO Cc1nc(Cl)ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123976640 823557252 /nfs/dbraw/zinc/55/72/52/823557252.db2.gz CQAAUWUKYCDWQZ-FZKQIMNGSA-N 1 1 396.293 4.259 20 0 GIADMO FC(F)(F)c1cccc([C@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)CCO2)c1 ZINC000190262814 823557577 /nfs/dbraw/zinc/55/75/77/823557577.db2.gz PDHAMXVZSRZJMB-GOSISDBHSA-N 1 1 385.426 4.012 20 0 GIADMO FC(F)(F)c1cccc([C@@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)CCO2)c1 ZINC000190262798 823557620 /nfs/dbraw/zinc/55/76/20/823557620.db2.gz PDHAMXVZSRZJMB-SFHVURJKSA-N 1 1 385.426 4.012 20 0 GIADMO C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)[C@H](CO)c1ccccc1 ZINC000411217611 823557910 /nfs/dbraw/zinc/55/79/10/823557910.db2.gz ANXHFEBRAAOGKR-OFNKIYASSA-N 1 1 394.540 4.009 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCc3c(O)cccc32)CC1 ZINC000190275085 823558549 /nfs/dbraw/zinc/55/85/49/823558549.db2.gz SVRLVNUTBCHVGX-QHCPKHFHSA-N 1 1 392.543 4.183 20 0 GIADMO C[C@H]1[C@@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1(F)F ZINC000461012212 823558975 /nfs/dbraw/zinc/55/89/75/823558975.db2.gz KQNNSAQYKZFHKJ-LRDDRELGSA-N 1 1 390.396 4.029 20 0 GIADMO Cc1cccn2cc(C[NH2+]Cc3cc4ccccc4nc3N3CCCCC3)nc12 ZINC000124008855 823559574 /nfs/dbraw/zinc/55/95/74/823559574.db2.gz GZEAVXAHKWDMGM-UHFFFAOYSA-N 1 1 385.515 4.471 20 0 GIADMO Cc1cccc(NC(=O)C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000124011587 823560004 /nfs/dbraw/zinc/56/00/04/823560004.db2.gz KWFGNJRECPBAED-UHFFFAOYSA-N 1 1 393.531 4.014 20 0 GIADMO Cc1csc([C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C2CC2)n1 ZINC000461025674 823561108 /nfs/dbraw/zinc/56/11/08/823561108.db2.gz FLOVNBGNFOOMSH-IEBWSBKVSA-N 1 1 387.524 4.070 20 0 GIADMO Cc1csc([C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C2CC2)n1 ZINC000461026048 823561273 /nfs/dbraw/zinc/56/12/73/823561273.db2.gz FLOVNBGNFOOMSH-PKOBYXMFSA-N 1 1 387.524 4.070 20 0 GIADMO Cc1cccc(C)c1NCC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000461026958 823561451 /nfs/dbraw/zinc/56/14/51/823561451.db2.gz YSPQOMUQBSEDPO-UHFFFAOYSA-N 1 1 391.515 4.257 20 0 GIADMO Cc1cccc(C)c1NCC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000461026958 823561455 /nfs/dbraw/zinc/56/14/55/823561455.db2.gz YSPQOMUQBSEDPO-UHFFFAOYSA-N 1 1 391.515 4.257 20 0 GIADMO COC1CCC([N@H+](C)Cc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000411278224 823561893 /nfs/dbraw/zinc/56/18/93/823561893.db2.gz YTCPEKGZKSAXDH-UHFFFAOYSA-N 1 1 384.211 4.395 20 0 GIADMO COC1CCC([N@@H+](C)Cc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000411278224 823561896 /nfs/dbraw/zinc/56/18/96/823561896.db2.gz YTCPEKGZKSAXDH-UHFFFAOYSA-N 1 1 384.211 4.395 20 0 GIADMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(SC)cc2)s1 ZINC000411285784 823562404 /nfs/dbraw/zinc/56/24/04/823562404.db2.gz SQRWABCQJHRPDZ-HUUCEWRRSA-N 1 1 380.579 4.169 20 0 GIADMO COc1ccc(C[NH2+]Cc2cccc(C)c2Br)c(OC)c1OC ZINC000190324395 823562791 /nfs/dbraw/zinc/56/27/91/823562791.db2.gz GTTFJXQTEJGPNR-UHFFFAOYSA-N 1 1 380.282 4.073 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c2C2CC2)cc1Cl ZINC000461034815 823562858 /nfs/dbraw/zinc/56/28/58/823562858.db2.gz WQTQSZCVHUWWET-OAHLLOKOSA-N 1 1 388.943 4.170 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000461039750 823563673 /nfs/dbraw/zinc/56/36/73/823563673.db2.gz ZAXFFMWQFWVABM-LLVKDONJSA-N 1 1 384.307 4.415 20 0 GIADMO CCC(=O)CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190345671 823565194 /nfs/dbraw/zinc/56/51/94/823565194.db2.gz BWLWIXBWBWCJIU-HNNXBMFYSA-N 1 1 378.270 4.005 20 0 GIADMO CCC(=O)CC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190345671 823565195 /nfs/dbraw/zinc/56/51/95/823565195.db2.gz BWLWIXBWBWCJIU-HNNXBMFYSA-N 1 1 378.270 4.005 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1)c1ccccc1 ZINC000411338935 823565241 /nfs/dbraw/zinc/56/52/41/823565241.db2.gz XUAGYGVFEBUOGP-QGZVFWFLSA-N 1 1 393.462 4.123 20 0 GIADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(F)c1 ZINC000461048274 823565397 /nfs/dbraw/zinc/56/53/97/823565397.db2.gz VFJSGKGSNXXGAY-IFXJQAMLSA-N 1 1 394.412 4.339 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)cc(OC)c1OC ZINC000124077109 823565449 /nfs/dbraw/zinc/56/54/49/823565449.db2.gz FKKOKFJVPHAFPR-CYBMUJFWSA-N 1 1 385.489 4.082 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 ZINC000461054921 823566765 /nfs/dbraw/zinc/56/67/65/823566765.db2.gz DWRHEDYXEBOJLX-HNNXBMFYSA-N 1 1 383.517 4.455 20 0 GIADMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2nc(-c3ccncc3)n(C)c2=S)c1 ZINC000124096838 823567284 /nfs/dbraw/zinc/56/72/84/823567284.db2.gz SHOADOWTMSILLQ-IBGZPJMESA-N 1 1 379.533 4.425 20 0 GIADMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2nc(-c3ccncc3)n(C)c2=S)c1 ZINC000124096838 823567287 /nfs/dbraw/zinc/56/72/87/823567287.db2.gz SHOADOWTMSILLQ-IBGZPJMESA-N 1 1 379.533 4.425 20 0 GIADMO O=S(=O)(CC[NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000060934917 823567949 /nfs/dbraw/zinc/56/79/49/823567949.db2.gz QTQLOPGNUYAKJU-UHFFFAOYSA-N 1 1 378.708 4.210 20 0 GIADMO CCOc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1OC ZINC000124105023 823568031 /nfs/dbraw/zinc/56/80/31/823568031.db2.gz ZCEPBYCFEUPVEB-UHFFFAOYSA-N 1 1 385.508 4.256 20 0 GIADMO CC1CCC([N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000060942506 823568338 /nfs/dbraw/zinc/56/83/38/823568338.db2.gz HLXFLLNDSMOXNY-UUKMXZOPSA-N 1 1 386.536 4.022 20 0 GIADMO Cc1cscc1NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000124111612 823568454 /nfs/dbraw/zinc/56/84/54/823568454.db2.gz RURFLWKLCZJXPM-UHFFFAOYSA-N 1 1 396.516 4.498 20 0 GIADMO Fc1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1OC(F)F ZINC000124118038 823569074 /nfs/dbraw/zinc/56/90/74/823569074.db2.gz ITPKEVZUPUJGQO-HNNXBMFYSA-N 1 1 394.441 4.125 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000124136388 823570906 /nfs/dbraw/zinc/57/09/06/823570906.db2.gz XTFNYTKTVPKTPE-ZDUSSCGKSA-N 1 1 396.304 4.046 20 0 GIADMO COc1cccc(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n1 ZINC000124138614 823571097 /nfs/dbraw/zinc/57/10/97/823571097.db2.gz SBFSDFGUXLMPHS-FQEVSTJZSA-N 1 1 376.435 4.110 20 0 GIADMO CC(C)c1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1-c1ccc(Cl)cc1 ZINC000124143766 823571465 /nfs/dbraw/zinc/57/14/65/823571465.db2.gz HMTLLFYHXSKVEC-MAUKXSAKSA-N 1 1 388.943 4.204 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000190422022 823571500 /nfs/dbraw/zinc/57/15/00/823571500.db2.gz LBZONHZTWYHYQN-SECBINFHSA-N 1 1 392.219 4.061 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411417131 823571633 /nfs/dbraw/zinc/57/16/33/823571633.db2.gz DVSLSANFJKCAII-NRFANRHFSA-N 1 1 391.519 4.296 20 0 GIADMO C[C@H](c1ccncc1)[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411417964 823571849 /nfs/dbraw/zinc/57/18/49/823571849.db2.gz JFZBCRDQBUGIHN-VGSWGCGISA-N 1 1 379.529 4.432 20 0 GIADMO C[C@@H](c1ccccn1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411420303 823572127 /nfs/dbraw/zinc/57/21/27/823572127.db2.gz LMYLEJQVKQXTRW-KBPBESRZSA-N 1 1 381.549 4.029 20 0 GIADMO Cc1c(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000124154016 823572541 /nfs/dbraw/zinc/57/25/41/823572541.db2.gz VAGVIGWMQIIYHX-UHFFFAOYSA-N 1 1 389.421 4.135 20 0 GIADMO C[C@@H](c1cccnc1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411431064 823573403 /nfs/dbraw/zinc/57/34/03/823573403.db2.gz ZEJCZOZRKUDGGW-KGLIPLIRSA-N 1 1 381.549 4.029 20 0 GIADMO C[C@H](c1cccnc1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411431068 823573407 /nfs/dbraw/zinc/57/34/07/823573407.db2.gz ZEJCZOZRKUDGGW-ZIAGYGMSSA-N 1 1 381.549 4.029 20 0 GIADMO Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000124167522 823573850 /nfs/dbraw/zinc/57/38/50/823573850.db2.gz YOQMIOQJVQZIDI-AWEZNQCLSA-N 1 1 390.478 4.308 20 0 GIADMO CC[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cccc(Cl)c1F ZINC000461087686 823574269 /nfs/dbraw/zinc/57/42/69/823574269.db2.gz LKQHLQVJEWDGOU-RTBURBONSA-N 1 1 389.902 4.492 20 0 GIADMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1OC(C)C ZINC000124178292 823575027 /nfs/dbraw/zinc/57/50/27/823575027.db2.gz SNSPSZGIRVFROG-IBGZPJMESA-N 1 1 398.551 4.180 20 0 GIADMO Cc1cc(C2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)n[nH]1 ZINC000411446690 823575233 /nfs/dbraw/zinc/57/52/33/823575233.db2.gz PQCIVTFUSJAEKB-UHFFFAOYSA-N 1 1 381.307 4.233 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000190446755 823575658 /nfs/dbraw/zinc/57/56/58/823575658.db2.gz PQJBWJLNRDNDTQ-CQSZACIVSA-N 1 1 386.293 4.494 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OC(F)F)c2)c1C ZINC000411449380 823575804 /nfs/dbraw/zinc/57/58/04/823575804.db2.gz SBNPPQDMGUFDPU-YPMHNXCESA-N 1 1 378.419 4.358 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N(CCO)Cc1ccccc1)C1CCCCC1 ZINC000124196752 823576508 /nfs/dbraw/zinc/57/65/08/823576508.db2.gz QGJIPJNIYBWNLU-UHFFFAOYSA-N 1 1 395.547 4.478 20 0 GIADMO Cc1cccc(COc2ccc([C@@H](C)[NH2+]Cc3ccc(S(C)(=O)=O)o3)cc2)c1 ZINC000411460838 823577390 /nfs/dbraw/zinc/57/73/90/823577390.db2.gz IBAJIAATEIEAJQ-QGZVFWFLSA-N 1 1 399.512 4.421 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccnn2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000190459178 823577423 /nfs/dbraw/zinc/57/74/23/823577423.db2.gz ZEKLIXDJHNEHBA-HKUYNNGSSA-N 1 1 383.540 4.155 20 0 GIADMO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H](C)c3nnnn3C3CC3)cc2)c1 ZINC000190553590 823585635 /nfs/dbraw/zinc/58/56/35/823585635.db2.gz NECJBZWEDXTLKJ-SJORKVTESA-N 1 1 377.492 4.307 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)c1C ZINC000411541940 823586702 /nfs/dbraw/zinc/58/67/02/823586702.db2.gz PHFXQUOQWHSGON-DOTOQJQBSA-N 1 1 392.503 4.001 20 0 GIADMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3cccc(F)c3C)n2)cc1 ZINC000411542641 823586756 /nfs/dbraw/zinc/58/67/56/823586756.db2.gz ZZEFTCZUMIMHFG-HNNXBMFYSA-N 1 1 396.466 4.426 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000190583936 823588434 /nfs/dbraw/zinc/58/84/34/823588434.db2.gz RRBOEKHXCKSQCH-RHSMWYFYSA-N 1 1 385.474 4.107 20 0 GIADMO O=C(CSc1nc2ccccc2o1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285356 823589282 /nfs/dbraw/zinc/58/92/82/823589282.db2.gz DGVVKCPWIPTKRQ-UHFFFAOYSA-N 1 1 399.541 4.107 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(NC(=O)c4ccccc4)CC3)co2)cc1 ZINC000124383515 823592192 /nfs/dbraw/zinc/59/21/92/823592192.db2.gz BPSUGHSAZVMGJB-UHFFFAOYSA-N 1 1 375.472 4.044 20 0 GIADMO Cc1nc(CC2CC2)sc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000190634688 823593934 /nfs/dbraw/zinc/59/39/34/823593934.db2.gz LQRUMRVAOYSMQE-MRXNPFEDSA-N 1 1 389.590 4.108 20 0 GIADMO Cc1nc(CC2CC2)sc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000190640717 823594310 /nfs/dbraw/zinc/59/43/10/823594310.db2.gz XYUKXAJSBABGHV-UHFFFAOYSA-N 1 1 397.588 4.388 20 0 GIADMO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1C(C)C ZINC000190647905 823594982 /nfs/dbraw/zinc/59/49/82/823594982.db2.gz MLPCOODYBZKEJM-LJQANCHMSA-N 1 1 382.552 4.154 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000124426289 823595802 /nfs/dbraw/zinc/59/58/02/823595802.db2.gz HRQRMUOYTPNGCT-NRFANRHFSA-N 1 1 392.547 4.381 20 0 GIADMO COc1ccc(CCCC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1 ZINC000061413303 823596028 /nfs/dbraw/zinc/59/60/28/823596028.db2.gz PQXGRWSXVSZIOC-UHFFFAOYSA-N 1 1 387.549 4.489 20 0 GIADMO Cc1ccncc1C[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411669942 823596195 /nfs/dbraw/zinc/59/61/95/823596195.db2.gz REHFDSPJZXRGKT-QFIPXVFZSA-N 1 1 379.529 4.179 20 0 GIADMO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000411679735 823596649 /nfs/dbraw/zinc/59/66/49/823596649.db2.gz CWWMTTONKNJZQL-LLVKDONJSA-N 1 1 387.427 4.240 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2cnc3ccc(C)cc3c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000411680083 823596655 /nfs/dbraw/zinc/59/66/55/823596655.db2.gz WZIAFOSUXOPEBY-VGOFRKELSA-N 1 1 382.529 4.116 20 0 GIADMO Cc1ccc(NC(=O)C(C)(C)CC(F)F)cc1NC(=O)C[NH+]1CCCCC1 ZINC000411690523 823597337 /nfs/dbraw/zinc/59/73/37/823597337.db2.gz BDHNXLPHQYHKSR-UHFFFAOYSA-N 1 1 381.467 4.039 20 0 GIADMO CCC[C@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)C1CCC1 ZINC000411712540 823598839 /nfs/dbraw/zinc/59/88/39/823598839.db2.gz ZVVQYQKFUFBXJX-JXFKEZNVSA-N 1 1 385.552 4.070 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH2+]C1(C(F)F)CCCCC1 ZINC000411718754 823599685 /nfs/dbraw/zinc/59/96/85/823599685.db2.gz LUYDHAZXLDMLLP-UHFFFAOYSA-N 1 1 390.478 4.375 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccccc1Br)C1CCC(F)(F)CC1 ZINC000411735490 823601037 /nfs/dbraw/zinc/60/10/37/823601037.db2.gz JPSZSAAUSMDHES-UHFFFAOYSA-N 1 1 375.257 4.287 20 0 GIADMO CC(=O)Nc1cccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000190715323 823601625 /nfs/dbraw/zinc/60/16/25/823601625.db2.gz PPJAZGWOQBPJAI-MRXNPFEDSA-N 1 1 379.504 4.438 20 0 GIADMO C[C@@H]([NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(-n2cnnn2)c1 ZINC000124529963 823604058 /nfs/dbraw/zinc/60/40/58/823604058.db2.gz QDKWBIGZWCWPOU-QVKFZJNVSA-N 1 1 390.878 4.151 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NC[C@@H](Cc3ccccc3)C(C)C)CC2)[nH+]c1 ZINC000190751473 823605133 /nfs/dbraw/zinc/60/51/33/823605133.db2.gz SUYUXCVWYLJYIF-JOCHJYFZSA-N 1 1 379.548 4.238 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)o2)c(C)c1 ZINC000461255114 823605761 /nfs/dbraw/zinc/60/57/61/823605761.db2.gz BOGPMCRJMWRJHJ-LJQANCHMSA-N 1 1 384.520 4.422 20 0 GIADMO CC[C@@H](Cc1cccc(Br)c1)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461256065 823605847 /nfs/dbraw/zinc/60/58/47/823605847.db2.gz GFPLDRQLHZKZRY-PKOBYXMFSA-N 1 1 395.385 4.351 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000061601443 823606054 /nfs/dbraw/zinc/60/60/54/823606054.db2.gz LFCIICOTGCGMJZ-CIRFHOKZSA-N 1 1 382.470 4.293 20 0 GIADMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc4[nH]ccc43)c2C1 ZINC000190769604 823606838 /nfs/dbraw/zinc/60/68/38/823606838.db2.gz CXVTULFOXOLRNK-HNNXBMFYSA-N 1 1 390.487 4.105 20 0 GIADMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411811360 823607097 /nfs/dbraw/zinc/60/70/97/823607097.db2.gz XTYDEHCSHVSQDQ-VXGBXAGGSA-N 1 1 393.247 4.441 20 0 GIADMO CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000461261645 823607466 /nfs/dbraw/zinc/60/74/66/823607466.db2.gz XETUDLSNNNLGDU-KRWDZBQOSA-N 1 1 393.959 4.271 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124578205 823608013 /nfs/dbraw/zinc/60/80/13/823608013.db2.gz XZOVCNXKIRCUKX-OTWHNJEPSA-N 1 1 395.547 4.105 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124579080 823608054 /nfs/dbraw/zinc/60/80/54/823608054.db2.gz XZBKWPNVMZULDF-FHWLQOOXSA-N 1 1 398.547 4.164 20 0 GIADMO Cc1c2cc(Br)ccc2oc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461263506 823608160 /nfs/dbraw/zinc/60/81/60/823608160.db2.gz JOLVCAVPSNIQMS-OAHLLOKOSA-N 1 1 393.325 4.450 20 0 GIADMO Cc1c2cc(Br)ccc2oc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461263505 823608177 /nfs/dbraw/zinc/60/81/77/823608177.db2.gz JOLVCAVPSNIQMS-HNNXBMFYSA-N 1 1 393.325 4.450 20 0 GIADMO CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000124595085 823609455 /nfs/dbraw/zinc/60/94/55/823609455.db2.gz ZFVIUWNOILEAOY-LJQANCHMSA-N 1 1 381.455 4.008 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)ccc1OCc1ccccc1 ZINC000190796966 823610171 /nfs/dbraw/zinc/61/01/71/823610171.db2.gz IQVWSOJLWQCFGO-QGZVFWFLSA-N 1 1 394.519 4.472 20 0 GIADMO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461274550 823610601 /nfs/dbraw/zinc/61/06/01/823610601.db2.gz YKPISVLCPIINTD-GOSISDBHSA-N 1 1 389.540 4.128 20 0 GIADMO Cc1ccccc1-c1nnc(N(C)[C@H]2CC[N@H+](C3CC3)C2)n1Cc1cccs1 ZINC000461293474 823612914 /nfs/dbraw/zinc/61/29/14/823612914.db2.gz NSOWMIYHNVWFSI-SFHVURJKSA-N 1 1 393.560 4.036 20 0 GIADMO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190822477 823613182 /nfs/dbraw/zinc/61/31/82/823613182.db2.gz AMFQGKCZJCBWCT-ZWKOTPCHSA-N 1 1 382.552 4.352 20 0 GIADMO CCN(CC)c1ccc(-c2nnc(SCCCCn3cc[nH+]c3C)n2C)cc1 ZINC000124639733 823613284 /nfs/dbraw/zinc/61/32/84/823613284.db2.gz GMBMTTJHLMEPST-UHFFFAOYSA-N 1 1 398.580 4.406 20 0 GIADMO CO[C@@](C)([C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2F)n1)C1CC1 ZINC000411934642 823614994 /nfs/dbraw/zinc/61/49/94/823614994.db2.gz AKMMVWNZADZSDT-RBZFPXEDSA-N 1 1 391.512 4.260 20 0 GIADMO CCCCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC000061799408 823615378 /nfs/dbraw/zinc/61/53/78/823615378.db2.gz MDXJJZPDLICGKY-UHFFFAOYSA-N 1 1 382.508 4.196 20 0 GIADMO CCCCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC000061799408 823615381 /nfs/dbraw/zinc/61/53/81/823615381.db2.gz MDXJJZPDLICGKY-UHFFFAOYSA-N 1 1 382.508 4.196 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000411944953 823615620 /nfs/dbraw/zinc/61/56/20/823615620.db2.gz NOQFSRYCXNAKLG-IRXDYDNUSA-N 1 1 389.377 4.063 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000411944953 823615621 /nfs/dbraw/zinc/61/56/21/823615621.db2.gz NOQFSRYCXNAKLG-IRXDYDNUSA-N 1 1 389.377 4.063 20 0 GIADMO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000411946646 823615951 /nfs/dbraw/zinc/61/59/51/823615951.db2.gz OMXJELWZVGJWMB-RTWAWAEBSA-N 1 1 379.891 4.413 20 0 GIADMO COc1cccc(CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000061866614 823616587 /nfs/dbraw/zinc/61/65/87/823616587.db2.gz MMBASKWQIZSMAI-LJQANCHMSA-N 1 1 395.547 4.112 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000411962721 823617050 /nfs/dbraw/zinc/61/70/50/823617050.db2.gz VDJMEZBZCMZFBQ-UPVQGACJSA-N 1 1 380.507 4.242 20 0 GIADMO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411981672 823617816 /nfs/dbraw/zinc/61/78/16/823617816.db2.gz BSNUFWPXHRRAGT-NTKDMRAZSA-N 1 1 392.543 4.280 20 0 GIADMO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411981672 823617818 /nfs/dbraw/zinc/61/78/18/823617818.db2.gz BSNUFWPXHRRAGT-NTKDMRAZSA-N 1 1 392.543 4.280 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000061908335 823618253 /nfs/dbraw/zinc/61/82/53/823618253.db2.gz MSRPSSRDFXYIFZ-OAHLLOKOSA-N 1 1 391.462 4.300 20 0 GIADMO COc1ccnc(C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1OC ZINC000190870835 823618306 /nfs/dbraw/zinc/61/83/06/823618306.db2.gz RYVVRGRHDWXWQQ-QGZVFWFLSA-N 1 1 394.519 4.409 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1C ZINC000411990171 823618724 /nfs/dbraw/zinc/61/87/24/823618724.db2.gz QUVVYBGMVCEDSP-YKSBVNFPSA-N 1 1 392.543 4.334 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1C ZINC000411990171 823618726 /nfs/dbraw/zinc/61/87/26/823618726.db2.gz QUVVYBGMVCEDSP-YKSBVNFPSA-N 1 1 392.543 4.334 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411990679 823618729 /nfs/dbraw/zinc/61/87/29/823618729.db2.gz RQBKECJQCOCQNU-DEOSSOPVSA-N 1 1 392.543 4.277 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411990679 823618731 /nfs/dbraw/zinc/61/87/31/823618731.db2.gz RQBKECJQCOCQNU-DEOSSOPVSA-N 1 1 392.543 4.277 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000461332583 823619036 /nfs/dbraw/zinc/61/90/36/823619036.db2.gz KZPZAWHBAVTIOB-HKUYNNGSSA-N 1 1 387.321 4.241 20 0 GIADMO c1ccc([C@H]2[N@@H+](CCCOc3ccc4c(c3)OCO4)CC23CCOCC3)cc1 ZINC000412001571 823620326 /nfs/dbraw/zinc/62/03/26/823620326.db2.gz QGTMZCMJACVGDR-JOCHJYFZSA-N 1 1 381.472 4.038 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002313 823620621 /nfs/dbraw/zinc/62/06/21/823620621.db2.gz SXAJDAHCDAZXGV-QHCPKHFHSA-N 1 1 378.516 4.350 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002313 823620623 /nfs/dbraw/zinc/62/06/23/823620623.db2.gz SXAJDAHCDAZXGV-QHCPKHFHSA-N 1 1 378.516 4.350 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000412006845 823621853 /nfs/dbraw/zinc/62/18/53/823621853.db2.gz HXILXGLHXDDAGZ-VXKWHMMOSA-N 1 1 379.504 4.242 20 0 GIADMO OCC1([C@H]([NH2+]Cc2csc(-c3ccco3)n2)c2ccccc2)CCOCC1 ZINC000412011394 823622432 /nfs/dbraw/zinc/62/24/32/823622432.db2.gz UNDRWLJYYKDICT-LJQANCHMSA-N 1 1 384.501 4.023 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2ncnn2-c2ccccc2)c2ccccc2)CCCCC1 ZINC000412010872 823622439 /nfs/dbraw/zinc/62/24/39/823622439.db2.gz SFZOAEOYTFLRBB-QFIPXVFZSA-N 1 1 376.504 4.041 20 0 GIADMO COC1([C@@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)CCC1 ZINC000412020796 823623328 /nfs/dbraw/zinc/62/33/28/823623328.db2.gz JZJMFJKCYMKSTE-MRXNPFEDSA-N 1 1 387.549 4.492 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1occc1C ZINC000412029394 823623508 /nfs/dbraw/zinc/62/35/08/823623508.db2.gz URGBMTDOXKKVTH-UHFFFAOYSA-N 1 1 380.872 4.109 20 0 GIADMO COCCN(C(C)=O)c1nc(C[N@H+]2CC[C@@H](CC(C)(C)C)C2(C)C)cs1 ZINC000412041796 823623908 /nfs/dbraw/zinc/62/39/08/823623908.db2.gz UJNJPJAUEVMCEC-INIZCTEOSA-N 1 1 381.586 4.179 20 0 GIADMO 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Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3nc4ccc(F)cc4o3)C2)cc1 ZINC000163409536 823707180 /nfs/dbraw/zinc/70/71/80/823707180.db2.gz LGVHIFGSPBCHIU-INIZCTEOSA-N 1 1 396.466 4.309 20 0 GIADMO COc1ccc(CN(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000413102524 823707339 /nfs/dbraw/zinc/70/73/39/823707339.db2.gz FFGZIWRBOUHKSP-INIZCTEOSA-N 1 1 381.948 4.145 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cnccc1C(C)(C)C ZINC000413103110 823707566 /nfs/dbraw/zinc/70/75/66/823707566.db2.gz WFBRSRCNFSRJRG-UHFFFAOYSA-N 1 1 382.552 4.219 20 0 GIADMO COc1ccc(CN(C)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000413104831 823708000 /nfs/dbraw/zinc/70/80/00/823708000.db2.gz HMYKWYVZAPHPCH-MRXNPFEDSA-N 1 1 381.948 4.002 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000163426097 823708057 /nfs/dbraw/zinc/70/80/57/823708057.db2.gz YGCIMGYXOFHJJR-NWDGAFQWSA-N 1 1 397.306 4.082 20 0 GIADMO CC[N@@H+]1CCC[C@H](CNCc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000063917606 823711361 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GIADMO Cc1nc2c(F)cccc2cc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000574403210 823720622 /nfs/dbraw/zinc/72/06/22/823720622.db2.gz ADROJJOEDDQZSB-UHFFFAOYSA-N 1 1 395.503 4.483 20 0 GIADMO CCCn1nc(C)c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C ZINC000163571900 823723760 /nfs/dbraw/zinc/72/37/60/823723760.db2.gz CTHKRPZKGRIGAV-QGZVFWFLSA-N 1 1 382.552 4.214 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)CC[C@@H]1C(F)(F)F ZINC000191659102 823725511 /nfs/dbraw/zinc/72/55/11/823725511.db2.gz HLIDFUKHIUHXLT-SFHVURJKSA-N 1 1 398.469 4.098 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@]3(CO)CC(C)C)cs2)c1OC ZINC000191658499 823725822 /nfs/dbraw/zinc/72/58/22/823725822.db2.gz JTPKXRDUVPCUND-NRFANRHFSA-N 1 1 390.549 4.200 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@@H]1C(F)(F)F ZINC000191659344 823725843 /nfs/dbraw/zinc/72/58/43/823725843.db2.gz FXWVVSRSYHUHPJ-SFHVURJKSA-N 1 1 398.469 4.002 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)CC[C@H]1C(F)(F)F ZINC000191659361 823725864 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389.927 4.142 20 0 GIADMO Cc1c([C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000125878238 823735029 /nfs/dbraw/zinc/73/50/29/823735029.db2.gz AMSRPKWACPNNCD-DOTOQJQBSA-N 1 1 375.948 4.000 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)N(CC)C3CC(C)(C)C3)CC2)cs1 ZINC000413271017 823742324 /nfs/dbraw/zinc/74/23/24/823742324.db2.gz VEQKKIVOTHSOKI-UHFFFAOYSA-N 1 1 392.613 4.138 20 0 GIADMO CCCn1c2ccccc2nc1CN(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000574487006 823744847 /nfs/dbraw/zinc/74/48/47/823744847.db2.gz XRBNCQAQVBCJCC-OAQYLSRUSA-N 1 1 391.563 4.328 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000461908563 823749397 /nfs/dbraw/zinc/74/93/97/823749397.db2.gz GHAVJNACJXJFGU-CRAIPNDOSA-N 1 1 383.458 4.026 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000125952308 823751511 /nfs/dbraw/zinc/75/15/11/823751511.db2.gz LNCJHDMYEDYFPJ-KDOFPFPSSA-N 1 1 383.964 4.022 20 0 GIADMO O=C(NCc1ccc(Sc2ccccc2)cc1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000125955852 823752800 /nfs/dbraw/zinc/75/28/00/823752800.db2.gz ZOCQNNOEXCGTLN-JOCHJYFZSA-N 1 1 396.556 4.097 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)ccc1O ZINC000125958913 823753421 /nfs/dbraw/zinc/75/34/21/823753421.db2.gz AZMBLQZWQNWNJZ-UHFFFAOYSA-N 1 1 384.501 4.377 20 0 GIADMO CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CCCC1 ZINC000064141904 823753994 /nfs/dbraw/zinc/75/39/94/823753994.db2.gz FIOHMSKXICHKLK-AWEZNQCLSA-N 1 1 376.722 4.107 20 0 GIADMO COCc1ccc(CNC(=O)C[N@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000064143241 823754528 /nfs/dbraw/zinc/75/45/28/823754528.db2.gz BNIDIDHJZHDCBM-INIZCTEOSA-N 1 1 386.923 4.328 20 0 GIADMO COCc1ccc(CNC(=O)C[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000064143241 823754534 /nfs/dbraw/zinc/75/45/34/823754534.db2.gz BNIDIDHJZHDCBM-INIZCTEOSA-N 1 1 386.923 4.328 20 0 GIADMO COc1cccc(Oc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)c1 ZINC000461920694 823755598 /nfs/dbraw/zinc/75/55/98/823755598.db2.gz KZFHADRAKOVIDC-UHFFFAOYSA-N 1 1 393.443 4.324 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc(F)ccc2OCC2CC2)C1 ZINC000191751674 823756774 /nfs/dbraw/zinc/75/67/74/823756774.db2.gz KDIAKJJSIUAYIL-KRWDZBQOSA-N 1 1 386.471 4.242 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC1 ZINC000574532426 823756869 /nfs/dbraw/zinc/75/68/69/823756869.db2.gz LHCPYPHNXOROEG-LJQANCHMSA-N 1 1 375.513 4.150 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cnccc1C(C)(C)C ZINC000413349824 823757265 /nfs/dbraw/zinc/75/72/65/823757265.db2.gz HVAJQDQXENUFPS-AVRDEDQJSA-N 1 1 394.563 4.089 20 0 GIADMO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000574534907 823757469 /nfs/dbraw/zinc/75/74/69/823757469.db2.gz NPIMCRMRRHWPDX-BJKOFHAPSA-N 1 1 392.543 4.096 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2cscn2)cc1 ZINC000125996569 823762990 /nfs/dbraw/zinc/76/29/90/823762990.db2.gz QIWLMHDHMQCBJT-MRXNPFEDSA-N 1 1 389.590 4.067 20 0 GIADMO C[N@H+](Cc1ccccc1Oc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191779921 823765841 /nfs/dbraw/zinc/76/58/41/823765841.db2.gz RNCZFIPQKXCWOL-JOCHJYFZSA-N 1 1 387.483 4.107 20 0 GIADMO C[N@@H+](Cc1ccccc1Oc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000191779921 823765847 /nfs/dbraw/zinc/76/58/47/823765847.db2.gz RNCZFIPQKXCWOL-JOCHJYFZSA-N 1 1 387.483 4.107 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000126019737 823768009 /nfs/dbraw/zinc/76/80/09/823768009.db2.gz SPBRWFKDGBJQRS-FCHUYYIVSA-N 1 1 375.447 4.125 20 0 GIADMO O=C(CCc1nc2ccccc2[nH]1)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000574580004 823770557 /nfs/dbraw/zinc/77/05/57/823770557.db2.gz KKBRCUCKRPIWFD-UHFFFAOYSA-N 1 1 397.482 4.092 20 0 GIADMO FC(F)(F)[C@H]1CCN(c2cc[nH+]cc2Br)CC12CCOCC2 ZINC000413407026 823770895 /nfs/dbraw/zinc/77/08/95/823770895.db2.gz QQGDYOCBGOVQBA-ZDUSSCGKSA-N 1 1 379.220 4.030 20 0 GIADMO Cc1cc(-c2nnc(CN[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)o2)c(C)o1 ZINC000574586473 823772902 /nfs/dbraw/zinc/77/29/02/823772902.db2.gz GBUNFJLQYLHMTA-FQEVSTJZSA-N 1 1 394.519 4.337 20 0 GIADMO CC(C)OCC[NH+]1CCC(NCc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000574589771 823773506 /nfs/dbraw/zinc/77/35/06/823773506.db2.gz GBDPOCIXEHMVRQ-UHFFFAOYSA-N 1 1 393.984 4.443 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(c3nccc4cc(OC)c(F)cc43)CC2)cc1 ZINC000574599631 823776619 /nfs/dbraw/zinc/77/66/19/823776619.db2.gz RCRVFFAACPHNAY-UHFFFAOYSA-N 1 1 395.478 4.103 20 0 GIADMO COc1cc2cc[nH+]c(N[C@H](Cn3ccccc3=O)c3ccccc3)c2cc1F ZINC000574599384 823776650 /nfs/dbraw/zinc/77/66/50/823776650.db2.gz LPRGEXWJSDSTTC-HXUWFJFHSA-N 1 1 389.430 4.398 20 0 GIADMO COc1ccc(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000413434315 823777398 /nfs/dbraw/zinc/77/73/98/823777398.db2.gz DKTULEXOBWOJLY-RDJZCZTQSA-N 1 1 393.959 4.143 20 0 GIADMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]Cc1cnn(C)c1 ZINC000164099658 823777804 /nfs/dbraw/zinc/77/78/04/823777804.db2.gz GWTYKUJJVKUPGP-UHFFFAOYSA-N 1 1 391.450 4.135 20 0 GIADMO Cc1cc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1Oc1cccnc1 ZINC000064240063 823778811 /nfs/dbraw/zinc/77/88/11/823778811.db2.gz DSEDONRIUZNLMY-GOSISDBHSA-N 1 1 380.448 4.200 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(Cl)c1 ZINC000574608371 823779512 /nfs/dbraw/zinc/77/95/12/823779512.db2.gz RWEUZKAARHOGJT-GOSISDBHSA-N 1 1 383.923 4.032 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(Cl)c1 ZINC000574608371 823779516 /nfs/dbraw/zinc/77/95/16/823779516.db2.gz RWEUZKAARHOGJT-GOSISDBHSA-N 1 1 383.923 4.032 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000191820662 823782101 /nfs/dbraw/zinc/78/21/01/823782101.db2.gz YBWXDASBPRRYDQ-GFCCVEGCSA-N 1 1 384.277 4.056 20 0 GIADMO CC[C@H](Cc1ccccc1Br)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000413506646 823789224 /nfs/dbraw/zinc/78/92/24/823789224.db2.gz VXPZEVBKSFNIOX-JZXOWHBKSA-N 1 1 395.385 4.349 20 0 GIADMO CC[C@H](Cc1ccccc1Br)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000413506641 823789340 /nfs/dbraw/zinc/78/93/40/823789340.db2.gz VXPZEVBKSFNIOX-JFIYKMOQSA-N 1 1 395.385 4.349 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000191839332 823792331 /nfs/dbraw/zinc/79/23/31/823792331.db2.gz PSVOSGLUINXPOR-CQSZACIVSA-N 1 1 395.425 4.083 20 0 GIADMO C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000164345708 823797255 /nfs/dbraw/zinc/79/72/55/823797255.db2.gz BRPAOOCLHJFPSX-DNOBIOAJSA-N 1 1 381.545 4.104 20 0 GIADMO C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000164345941 823797355 /nfs/dbraw/zinc/79/73/55/823797355.db2.gz BRPAOOCLHJFPSX-CLYVBNDRSA-N 1 1 381.545 4.104 20 0 GIADMO C[C@@H]([NH2+]Cc1ccnn1C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000126151318 823800544 /nfs/dbraw/zinc/80/05/44/823800544.db2.gz BLLNPLMUBFDBRQ-LLVKDONJSA-N 1 1 377.311 4.157 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)c(OC)c1 ZINC000164396370 823800711 /nfs/dbraw/zinc/80/07/11/823800711.db2.gz HHARPLBXCCIKGB-ZDUSSCGKSA-N 1 1 381.419 4.473 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000064381761 823805777 /nfs/dbraw/zinc/80/57/77/823805777.db2.gz JHSAKQKIEDDMEV-UHFFFAOYSA-N 1 1 378.516 4.110 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCCCC[C@H]3[C@@H]3CCCCC3=O)CC2)[nH+]c1 ZINC000164572955 823809337 /nfs/dbraw/zinc/80/93/37/823809337.db2.gz YYRAIAFILGRLEJ-SFTDATJTSA-N 1 1 397.563 4.137 20 0 GIADMO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000064401257 823811976 /nfs/dbraw/zinc/81/19/76/823811976.db2.gz YQCSJSGOACVZBE-UHFFFAOYSA-N 1 1 392.528 4.108 20 0 GIADMO CCCOc1cc(OC)ccc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191924550 823812614 /nfs/dbraw/zinc/81/26/14/823812614.db2.gz IHYFDFFVPSRBQM-HXUWFJFHSA-N 1 1 396.531 4.078 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000126221215 823814993 /nfs/dbraw/zinc/81/49/93/823814993.db2.gz ATCSOUZZLLYREV-TXTKFYIRSA-N 1 1 392.543 4.001 20 0 GIADMO Cc1ccc(Br)c(C)c1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000574746580 823817772 /nfs/dbraw/zinc/81/77/72/823817772.db2.gz STABFHZETWHZFN-AWEZNQCLSA-N 1 1 381.358 4.308 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccnn2C2CCCC2)C1)Nc1cccc(F)c1 ZINC000574756700 823819762 /nfs/dbraw/zinc/81/97/62/823819762.db2.gz MKDSOWROVAXCGR-QGZVFWFLSA-N 1 1 399.514 4.171 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756505 823819945 /nfs/dbraw/zinc/81/99/45/823819945.db2.gz ZQPANEJQMQACAV-QFUCXCTJSA-N 1 1 398.572 4.108 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)[C@@H]1O ZINC000574756505 823819947 /nfs/dbraw/zinc/81/99/47/823819947.db2.gz ZQPANEJQMQACAV-QFUCXCTJSA-N 1 1 398.572 4.108 20 0 GIADMO CC(C)Cn1ccnc1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000164836884 823822028 /nfs/dbraw/zinc/82/20/28/823822028.db2.gz ITJLIYYWSJDDHS-INIZCTEOSA-N 1 1 378.314 4.305 20 0 GIADMO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000164836771 823822122 /nfs/dbraw/zinc/82/21/22/823822122.db2.gz ITJLIYYWSJDDHS-MRXNPFEDSA-N 1 1 378.314 4.305 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1CCC(C2OCCO2)CC1 ZINC000126258960 823823223 /nfs/dbraw/zinc/82/32/23/823823223.db2.gz FYJUFOPFEWFRKU-LLVKDONJSA-N 1 1 398.290 4.189 20 0 GIADMO CC[C@@H](CC1CCCC1)C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000413713489 823823415 /nfs/dbraw/zinc/82/34/15/823823415.db2.gz MHJQGEOUUQHZBT-JAXLGGSGSA-N 1 1 388.600 4.258 20 0 GIADMO O=C(c1ccc2c(c1)COC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000064479457 823828010 /nfs/dbraw/zinc/82/80/10/823828010.db2.gz BIHQXZNQLARPMQ-UHFFFAOYSA-N 1 1 398.506 4.264 20 0 GIADMO C[C@H](c1nnnn1C1CC1)[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000191972905 823828195 /nfs/dbraw/zinc/82/81/95/823828195.db2.gz AIASBCXUZVSFIR-OAHLLOKOSA-N 1 1 398.486 4.208 20 0 GIADMO C[C@H](c1nnnn1C1CC1)[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000191972905 823828198 /nfs/dbraw/zinc/82/81/98/823828198.db2.gz AIASBCXUZVSFIR-OAHLLOKOSA-N 1 1 398.486 4.208 20 0 GIADMO C[C@H](NC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)c1cccc(OC(F)F)c1 ZINC000126281933 823828706 /nfs/dbraw/zinc/82/87/06/823828706.db2.gz HKCIRZOGKSPART-GJZGRUSLSA-N 1 1 381.467 4.007 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)CC(F)(F)F ZINC000413742508 823830201 /nfs/dbraw/zinc/83/02/01/823830201.db2.gz DNAWXNSQOGEHIW-CQSZACIVSA-N 1 1 391.865 4.146 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)CC(F)(F)F ZINC000413742508 823830212 /nfs/dbraw/zinc/83/02/12/823830212.db2.gz DNAWXNSQOGEHIW-CQSZACIVSA-N 1 1 391.865 4.146 20 0 GIADMO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000413751330 823833825 /nfs/dbraw/zinc/83/38/25/823833825.db2.gz UOWGHXDHCQRZJF-QXAKKESOSA-N 1 1 397.485 4.271 20 0 GIADMO COc1ccc(CCCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000064521174 823834847 /nfs/dbraw/zinc/83/48/47/823834847.db2.gz PGEVKCFKDQFGPN-IBGZPJMESA-N 1 1 386.561 4.108 20 0 GIADMO C[C@H](SCc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521347 823835526 /nfs/dbraw/zinc/83/55/26/823835526.db2.gz KCDZOHUDQWWGAB-HKUYNNGSSA-N 1 1 388.602 4.398 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCC=C(F)C1 ZINC000462129809 823838806 /nfs/dbraw/zinc/83/88/06/823838806.db2.gz GYONVHPHWMCVJZ-LJQANCHMSA-N 1 1 385.508 4.116 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCC=C(F)C1 ZINC000462129809 823838812 /nfs/dbraw/zinc/83/88/12/823838812.db2.gz GYONVHPHWMCVJZ-LJQANCHMSA-N 1 1 385.508 4.116 20 0 GIADMO CC(C)c1cnc(-c2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)o1 ZINC000462130755 823839206 /nfs/dbraw/zinc/83/92/06/823839206.db2.gz KZVSUQSHGJHJPF-UHFFFAOYSA-N 1 1 380.448 4.301 20 0 GIADMO COCC1CCC(NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000413782953 823840573 /nfs/dbraw/zinc/84/05/73/823840573.db2.gz LOEKMEFHJRVTDD-UHFFFAOYSA-N 1 1 384.524 4.382 20 0 GIADMO CC(C)[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1cccc(C(F)(F)F)c1 ZINC000462137887 823841426 /nfs/dbraw/zinc/84/14/26/823841426.db2.gz JXWOXKFZFWOEBJ-GOSISDBHSA-N 1 1 395.425 4.416 20 0 GIADMO COc1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000192045939 823842890 /nfs/dbraw/zinc/84/28/90/823842890.db2.gz BWMRQBFKPMHZIZ-IEBWSBKVSA-N 1 1 385.851 4.018 20 0 GIADMO O[C@@H](c1ccccc1)C1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000064556164 823843164 /nfs/dbraw/zinc/84/31/64/823843164.db2.gz URRZGFMWUUDKDI-VWLOTQADSA-N 1 1 387.527 4.307 20 0 GIADMO C[C@H]([C@@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@H](c2ccc3ccccc3c2)C1=O ZINC000574852736 823843580 /nfs/dbraw/zinc/84/35/80/823843580.db2.gz YXZPFMVPMMNRIZ-BSLALVQMSA-N 1 1 391.515 4.086 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000574858513 823845294 /nfs/dbraw/zinc/84/52/94/823845294.db2.gz SAPVWUMRMDNSKP-PKOBYXMFSA-N 1 1 398.304 4.147 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000574858513 823845299 /nfs/dbraw/zinc/84/52/99/823845299.db2.gz SAPVWUMRMDNSKP-PKOBYXMFSA-N 1 1 398.304 4.147 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(-c2cscn2)c1 ZINC000462159761 823848875 /nfs/dbraw/zinc/84/88/75/823848875.db2.gz SHOAXJVAVHNOKR-OXJNMPFZSA-N 1 1 377.513 4.060 20 0 GIADMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cccc1-c1ncco1 ZINC000574886783 823851872 /nfs/dbraw/zinc/85/18/72/823851872.db2.gz VSGXYZBGSDXGIW-UTKZUKDTSA-N 1 1 390.487 4.435 20 0 GIADMO Cc1c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cccc1-c1ncco1 ZINC000574886784 823852042 /nfs/dbraw/zinc/85/20/42/823852042.db2.gz VSGXYZBGSDXGIW-UWJYYQICSA-N 1 1 390.487 4.435 20 0 GIADMO COc1cc2c(cc1CNC[C@@H]1CCC[N@@H+](Cc3cccs3)C1)O[C@H](C)C2 ZINC000064615953 823853685 /nfs/dbraw/zinc/85/36/85/823853685.db2.gz GYYYGXROAWPRKL-SJORKVTESA-N 1 1 386.561 4.082 20 0 GIADMO COc1cc2c(cc1C[NH2+]C[C@@H]1CCCN(Cc3cccs3)C1)O[C@H](C)C2 ZINC000064615953 823853690 /nfs/dbraw/zinc/85/36/90/823853690.db2.gz GYYYGXROAWPRKL-SJORKVTESA-N 1 1 386.561 4.082 20 0 GIADMO CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000165548450 823853790 /nfs/dbraw/zinc/85/37/90/823853790.db2.gz SZNFHBUCDRJGKX-PMACEKPBSA-N 1 1 392.975 4.141 20 0 GIADMO O=C(NCc1ccc(Cl)s1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644015 823856291 /nfs/dbraw/zinc/85/62/91/823856291.db2.gz HYNWBKSEYNPVDN-CYBMUJFWSA-N 1 1 383.970 4.174 20 0 GIADMO Cc1csc(Sc2ccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)n1 ZINC000574900121 823856806 /nfs/dbraw/zinc/85/68/06/823856806.db2.gz JADBTWTZZGZXET-MQVJKMGUSA-N 1 1 388.562 4.349 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)[C@H]1CCSC1 ZINC000126400811 823857596 /nfs/dbraw/zinc/85/75/96/823857596.db2.gz LUILKZVHASBXOV-HNNXBMFYSA-N 1 1 378.444 4.133 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)[C@H]1CCSC1 ZINC000126400811 823857600 /nfs/dbraw/zinc/85/76/00/823857600.db2.gz LUILKZVHASBXOV-HNNXBMFYSA-N 1 1 378.444 4.133 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)C1 ZINC000462183219 823858656 /nfs/dbraw/zinc/85/86/56/823858656.db2.gz BJBCQLJNRUGLCR-AWEZNQCLSA-N 1 1 395.425 4.164 20 0 GIADMO C[C@H](CCNC(=O)c1cc(C[NH+]2CCCC2)on1)c1cccc(C(F)(F)F)c1 ZINC000462185296 823859143 /nfs/dbraw/zinc/85/91/43/823859143.db2.gz HZUWFCGRILGXPK-CQSZACIVSA-N 1 1 395.425 4.213 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000413889198 823860015 /nfs/dbraw/zinc/86/00/15/823860015.db2.gz MYRCZJVIQNZALV-DENIHFKCSA-N 1 1 394.563 4.054 20 0 GIADMO CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000574929219 823862511 /nfs/dbraw/zinc/86/25/11/823862511.db2.gz USZFPGSFVQDDCS-VCFYHUQZSA-N 1 1 376.544 4.379 20 0 GIADMO O=C(NCCC1=CCCC1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000126423120 823863067 /nfs/dbraw/zinc/86/30/67/823863067.db2.gz XGDHYYJKGNPEMT-UHFFFAOYSA-N 1 1 394.519 4.106 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000462193091 823863254 /nfs/dbraw/zinc/86/32/54/823863254.db2.gz VNFPECWCSBKNOC-OXJNMPFZSA-N 1 1 390.449 4.432 20 0 GIADMO CC[N@H+](CCC(=O)OC)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000064694637 823865952 /nfs/dbraw/zinc/86/59/52/823865952.db2.gz LNYDCXJDTPVHRX-UHFFFAOYSA-N 1 1 385.895 4.123 20 0 GIADMO CC[N@@H+](CCC(=O)OC)Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000064694637 823865961 /nfs/dbraw/zinc/86/59/61/823865961.db2.gz LNYDCXJDTPVHRX-UHFFFAOYSA-N 1 1 385.895 4.123 20 0 GIADMO CC(C)C1CCC(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)CC1 ZINC000574943961 823867051 /nfs/dbraw/zinc/86/70/51/823867051.db2.gz WGDHFFNIAUKAND-LDSCCMFQSA-N 1 1 395.551 4.343 20 0 GIADMO CCc1nc2c(s1)[C@@H](N[C@H](CC[N@@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994448 823868039 /nfs/dbraw/zinc/86/80/39/823868039.db2.gz YAJDSCJFKFSKFY-MOPGFXCFSA-N 1 1 387.593 4.382 20 0 GIADMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1O ZINC000192128830 823869796 /nfs/dbraw/zinc/86/97/96/823869796.db2.gz DIYMUXOPFWJESL-MJGOQNOKSA-N 1 1 381.806 4.146 20 0 GIADMO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)cc1F ZINC000192131054 823871146 /nfs/dbraw/zinc/87/11/46/823871146.db2.gz FVTUESIRXIOKIG-FUHWJXTLSA-N 1 1 391.805 4.288 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000064726403 823872619 /nfs/dbraw/zinc/87/26/19/823872619.db2.gz DOOVPHPLHZVYFD-VNHYZAJKSA-N 1 1 383.305 4.066 20 0 GIADMO Cc1noc(C)c1CC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000166209231 823872829 /nfs/dbraw/zinc/87/28/29/823872829.db2.gz SRGDVSSTDQDNLA-KRWDZBQOSA-N 1 1 396.272 4.276 20 0 GIADMO CCCOc1ccccc1Oc1ncccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166217207 823872897 /nfs/dbraw/zinc/87/28/97/823872897.db2.gz SRVRTHZMZFEZNZ-WOJBJXKFSA-N 1 1 381.520 4.379 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000574968743 823876087 /nfs/dbraw/zinc/87/60/87/823876087.db2.gz WQZKDISJHKCQMD-FQEVSTJZSA-N 1 1 383.927 4.154 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000574968743 823876094 /nfs/dbraw/zinc/87/60/94/823876094.db2.gz WQZKDISJHKCQMD-FQEVSTJZSA-N 1 1 383.927 4.154 20 0 GIADMO Cc1noc(C)c1CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000166936091 823884463 /nfs/dbraw/zinc/88/44/63/823884463.db2.gz DZDNCUHUBFGPEJ-KRWDZBQOSA-N 1 1 382.291 4.244 20 0 GIADMO Cc1noc(C)c1CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000166936091 823884465 /nfs/dbraw/zinc/88/44/65/823884465.db2.gz DZDNCUHUBFGPEJ-KRWDZBQOSA-N 1 1 382.291 4.244 20 0 GIADMO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000167003939 823884963 /nfs/dbraw/zinc/88/49/63/823884963.db2.gz VUBPVZSDFLECDS-OAHLLOKOSA-N 1 1 390.549 4.367 20 0 GIADMO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCCO[C@@H](C(C)C)C1)c1ccccc1 ZINC000575006493 823885727 /nfs/dbraw/zinc/88/57/27/823885727.db2.gz AJRSSJSPRDDVAA-QLBJFCOMSA-N 1 1 397.559 4.209 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F ZINC000462233441 823886971 /nfs/dbraw/zinc/88/69/71/823886971.db2.gz QMXLFXXXCDSPOE-KSSFIOAISA-N 1 1 377.410 4.347 20 0 GIADMO CC[N@H+]1CC[C@@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)C1 ZINC000414004512 823887627 /nfs/dbraw/zinc/88/76/27/823887627.db2.gz JCBAMGPBFVFTCE-MRXNPFEDSA-N 1 1 397.569 4.292 20 0 GIADMO CC(C)(NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)C1CCC1 ZINC000575013265 823887787 /nfs/dbraw/zinc/88/77/87/823887787.db2.gz KDGPPHKNTIWHNM-UHFFFAOYSA-N 1 1 396.535 4.184 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NCC[N@H+](C)Cc2ccccc2)s1 ZINC000064805048 823888473 /nfs/dbraw/zinc/88/84/73/823888473.db2.gz OTMITTHKVMBMFQ-UHFFFAOYSA-N 1 1 393.556 4.218 20 0 GIADMO C[C@@H]1C[C@@H](N(C)c2nnc(-c3ccccc3F)n2C)CC[N@H+]1Cc1ccccc1 ZINC000575028168 823892932 /nfs/dbraw/zinc/89/29/32/823892932.db2.gz VGBQTTFPYRQXQV-MJGOQNOKSA-N 1 1 393.510 4.111 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(F)c1 ZINC000167772383 823895082 /nfs/dbraw/zinc/89/50/82/823895082.db2.gz FJEFLALGFZVXDY-CABCVRRESA-N 1 1 390.474 4.346 20 0 GIADMO C[C@@H](NC(C)(C)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccccc1 ZINC000167862222 823896920 /nfs/dbraw/zinc/89/69/20/823896920.db2.gz ZQNIBQDWINICLE-JKSUJKDBSA-N 1 1 392.540 4.009 20 0 GIADMO C[C@H](CC(=O)Nc1cccnc1Cl)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000167848383 823897147 /nfs/dbraw/zinc/89/71/47/823897147.db2.gz OIFHDCVDWVFHIA-CVEARBPZSA-N 1 1 388.943 4.171 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000167920692 823897959 /nfs/dbraw/zinc/89/79/59/823897959.db2.gz DUJGNJIKZYFLOE-CVEARBPZSA-N 1 1 375.314 4.276 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000167927541 823898972 /nfs/dbraw/zinc/89/89/72/823898972.db2.gz DFHCOQJYEGWPJF-JKSUJKDBSA-N 1 1 393.304 4.415 20 0 GIADMO COCc1cc(Cl)ccc1NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000575049986 823899741 /nfs/dbraw/zinc/89/97/41/823899741.db2.gz WEZLPPLIJQAWDJ-OAQYLSRUSA-N 1 1 387.911 4.273 20 0 GIADMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc2ccccc2c1OC(F)F ZINC000168266852 823901302 /nfs/dbraw/zinc/90/13/02/823901302.db2.gz GFZRRJKHBWNALY-HNNXBMFYSA-N 1 1 378.463 4.203 20 0 GIADMO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000168245942 823901443 /nfs/dbraw/zinc/90/14/43/823901443.db2.gz ZVBVZWSPUJOQQT-KBPBESRZSA-N 1 1 376.522 4.420 20 0 GIADMO CC[C@@H]1Cc2ccccc2CN1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462259512 823903165 /nfs/dbraw/zinc/90/31/65/823903165.db2.gz NLPIRFIOACFTIV-OAQYLSRUSA-N 1 1 378.520 4.037 20 0 GIADMO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)s1 ZINC000414078339 823903641 /nfs/dbraw/zinc/90/36/41/823903641.db2.gz RWKFXCRHGHOBTR-CVEARBPZSA-N 1 1 387.549 4.012 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462262601 823904448 /nfs/dbraw/zinc/90/44/48/823904448.db2.gz MEDMBQLMMLRCQY-WBVHZDCISA-N 1 1 389.446 4.238 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1csc(-c2ccccc2)n1 ZINC000414080853 823904514 /nfs/dbraw/zinc/90/45/14/823904514.db2.gz UWCBQXWNPKNQME-HNNXBMFYSA-N 1 1 386.542 4.206 20 0 GIADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000575074925 823904936 /nfs/dbraw/zinc/90/49/36/823904936.db2.gz OILUSPLWZZHXKI-ZWKOTPCHSA-N 1 1 395.469 4.025 20 0 GIADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1Cl ZINC000192216440 823905997 /nfs/dbraw/zinc/90/59/97/823905997.db2.gz LTHAKQMRMBTAIO-QGZVFWFLSA-N 1 1 393.314 4.014 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105330 823910766 /nfs/dbraw/zinc/91/07/66/823910766.db2.gz GODCFBPQYHPKEY-LAUBAEHRSA-N 1 1 393.556 4.228 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)c1cc2n(n1)CCC2 ZINC000414106730 823911374 /nfs/dbraw/zinc/91/13/74/823911374.db2.gz RGMUJEPOAVMOMK-JTQLQIEISA-N 1 1 388.231 4.461 20 0 GIADMO C[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccccc2)n1 ZINC000414109620 823911933 /nfs/dbraw/zinc/91/19/33/823911933.db2.gz HMDMDVOKURQJQY-JPYJTQIMSA-N 1 1 393.556 4.098 20 0 GIADMO COc1ccc([C@H](C)[N@H+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000064931767 823913940 /nfs/dbraw/zinc/91/39/40/823913940.db2.gz XHFGYAXGZPKVPP-AWEZNQCLSA-N 1 1 381.501 4.111 20 0 GIADMO COc1ccc([C@H](C)[N@@H+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000064931767 823913950 /nfs/dbraw/zinc/91/39/50/823913950.db2.gz XHFGYAXGZPKVPP-AWEZNQCLSA-N 1 1 381.501 4.111 20 0 GIADMO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462301254 823917022 /nfs/dbraw/zinc/91/70/22/823917022.db2.gz VQTRZAHHVOXOQS-RDTXWAMCSA-N 1 1 398.981 4.071 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H](c3cccnc3)C2)c1 ZINC000575121186 823917601 /nfs/dbraw/zinc/91/76/01/823917601.db2.gz CGEWOYVXYWMBLT-FQEVSTJZSA-N 1 1 389.503 4.471 20 0 GIADMO CC(C)[N@@H+](CCCc1ccncc1)C[C@H](O)COc1cccc2ccccc21 ZINC000462310306 823920447 /nfs/dbraw/zinc/92/04/47/823920447.db2.gz GDWRXAOICRFFLC-QFIPXVFZSA-N 1 1 378.516 4.318 20 0 GIADMO CSc1cccc(N(C)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000575135252 823920730 /nfs/dbraw/zinc/92/07/30/823920730.db2.gz YKOLAAZZXSAEFR-INIZCTEOSA-N 1 1 385.533 4.470 20 0 GIADMO C[NH+](C)[C@@H](C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccccc1 ZINC000170627403 823921377 /nfs/dbraw/zinc/92/13/77/823921377.db2.gz LITRJHXECFSSCD-OAQYLSRUSA-N 1 1 394.519 4.336 20 0 GIADMO C[NH+](C)[C@H](C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccccc1 ZINC000170627402 823921509 /nfs/dbraw/zinc/92/15/09/823921509.db2.gz LITRJHXECFSSCD-NRFANRHFSA-N 1 1 394.519 4.336 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(NC(=O)c4ccsc4)CC3)o2)cc1 ZINC000064991130 823922040 /nfs/dbraw/zinc/92/20/40/823922040.db2.gz RLTGCHUMKHUTTC-HNNXBMFYSA-N 1 1 396.516 4.062 20 0 GIADMO Cc1cc([C@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)no1 ZINC000414169239 823922380 /nfs/dbraw/zinc/92/23/80/823922380.db2.gz AXYFHMPOSSQBNK-JWNTYJGQSA-N 1 1 379.479 4.441 20 0 GIADMO Cc1cc([C@H](C)[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)no1 ZINC000414169239 823922388 /nfs/dbraw/zinc/92/23/88/823922388.db2.gz AXYFHMPOSSQBNK-JWNTYJGQSA-N 1 1 379.479 4.441 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)Nc2ccccc2C)CC2CCC2)c(OC)c1 ZINC000575151707 823924706 /nfs/dbraw/zinc/92/47/06/823924706.db2.gz OJGFDSCGXCRYKT-UHFFFAOYSA-N 1 1 382.504 4.253 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)Nc2ccccc2C)CC2CCC2)c(OC)c1 ZINC000575151707 823924710 /nfs/dbraw/zinc/92/47/10/823924710.db2.gz OJGFDSCGXCRYKT-UHFFFAOYSA-N 1 1 382.504 4.253 20 0 GIADMO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647562 823925488 /nfs/dbraw/zinc/92/54/88/823925488.db2.gz DGCSVOJRLJRPBL-ZIAGYGMSSA-N 1 1 394.466 4.339 20 0 GIADMO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647562 823925496 /nfs/dbraw/zinc/92/54/96/823925496.db2.gz DGCSVOJRLJRPBL-ZIAGYGMSSA-N 1 1 394.466 4.339 20 0 GIADMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(Cl)c1 ZINC000462328587 823926432 /nfs/dbraw/zinc/92/64/32/823926432.db2.gz VAWWBZPMTBMGBZ-KBXCAEBGSA-N 1 1 398.981 4.071 20 0 GIADMO O=C1c2cc(Cl)ccc2NC2(CC[NH+](Cc3cccnc3)CC2)N1CC1CC1 ZINC000414199669 823927072 /nfs/dbraw/zinc/92/70/72/823927072.db2.gz XOYAHCKGGBLOGH-UHFFFAOYSA-N 1 1 396.922 4.005 20 0 GIADMO CC1(c2cccc(Cl)c2)CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000462330734 823927185 /nfs/dbraw/zinc/92/71/85/823927185.db2.gz GCBILNYFXQFUKY-UHFFFAOYSA-N 1 1 387.911 4.118 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)c1 ZINC000414204767 823928257 /nfs/dbraw/zinc/92/82/57/823928257.db2.gz BQNWDBYDSIDZKB-ZDUSSCGKSA-N 1 1 383.945 4.070 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000414206970 823928358 /nfs/dbraw/zinc/92/83/58/823928358.db2.gz GILPEFHWIXPNKG-CYBMUJFWSA-N 1 1 397.972 4.244 20 0 GIADMO C[C@H](Cc1ccccc1)n1cccc1-c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000575162922 823928500 /nfs/dbraw/zinc/92/85/00/823928500.db2.gz OXCCFRNKKHWIEB-MONBJTKQSA-N 1 1 392.503 4.268 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)c1 ZINC000414207538 823929023 /nfs/dbraw/zinc/92/90/23/823929023.db2.gz HHXAZCAOJPEUTI-SFHVURJKSA-N 1 1 384.904 4.155 20 0 GIADMO CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000414223504 823933013 /nfs/dbraw/zinc/93/30/13/823933013.db2.gz OZHWBEAHNLREGW-DLBZAZTESA-N 1 1 394.334 4.409 20 0 GIADMO COc1ccc([C@H](CCC(C)C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414231641 823934428 /nfs/dbraw/zinc/93/44/28/823934428.db2.gz HONPLHXUSMAQKB-FQEVSTJZSA-N 1 1 375.534 4.366 20 0 GIADMO CC(=O)c1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000575193218 823934834 /nfs/dbraw/zinc/93/48/34/823934834.db2.gz AXTIJGYGWGYLMU-PXNSSMCTSA-N 1 1 379.504 4.230 20 0 GIADMO O=C(c1cccnc1Sc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126721118 823935549 /nfs/dbraw/zinc/93/55/49/823935549.db2.gz RWJMMDNJUOUXJQ-UWJYYQICSA-N 1 1 393.556 4.322 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H]3c3cccs3)CC2)cs1 ZINC000170682107 823937033 /nfs/dbraw/zinc/93/70/33/823937033.db2.gz HLWWLWXZAWZFSQ-KRWDZBQOSA-N 1 1 375.563 4.089 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H]3c3cccs3)CC2)cs1 ZINC000170682105 823937069 /nfs/dbraw/zinc/93/70/69/823937069.db2.gz HLWWLWXZAWZFSQ-QGZVFWFLSA-N 1 1 375.563 4.089 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000414247866 823940301 /nfs/dbraw/zinc/94/03/01/823940301.db2.gz VSOGLSMZMZMWKM-KRWDZBQOSA-N 1 1 398.553 4.381 20 0 GIADMO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000575213854 823940982 /nfs/dbraw/zinc/94/09/82/823940982.db2.gz NSIANTPDAIWVFZ-ISKFKSNPSA-N 1 1 396.531 4.168 20 0 GIADMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000575213854 823940994 /nfs/dbraw/zinc/94/09/94/823940994.db2.gz NSIANTPDAIWVFZ-ISKFKSNPSA-N 1 1 396.531 4.168 20 0 GIADMO O=C(c1cc(-c2cccc(Cl)c2)no1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126751319 823941952 /nfs/dbraw/zinc/94/19/52/823941952.db2.gz UYEWESQOEYLNMU-KXBFYZLASA-N 1 1 385.895 4.084 20 0 GIADMO Fc1ccc(F)c2c1CC[C@H]2[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000462366438 823942942 /nfs/dbraw/zinc/94/29/42/823942942.db2.gz SJGVUBFCEYZZIC-MRXNPFEDSA-N 1 1 380.232 4.439 20 0 GIADMO Cc1oc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1C1CC1 ZINC000575221584 823944337 /nfs/dbraw/zinc/94/43/37/823944337.db2.gz FVOKGUDMUFVFBW-VQTJNVASSA-N 1 1 394.519 4.379 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](c2ccccc2)C2CC2)CC1 ZINC000575241576 823950217 /nfs/dbraw/zinc/95/02/17/823950217.db2.gz BZHYVGOAYUZLQW-OAQYLSRUSA-N 1 1 379.504 4.137 20 0 GIADMO CC(C)c1c(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cnn1-c1ccccc1 ZINC000192342187 823952997 /nfs/dbraw/zinc/95/29/97/823952997.db2.gz UECASPGZFYKQGB-SFHVURJKSA-N 1 1 381.480 4.013 20 0 GIADMO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H](C)c1csnn1 ZINC000414311217 823955968 /nfs/dbraw/zinc/95/59/68/823955968.db2.gz XXKLFWITYWQWDD-RKDXNWHRSA-N 1 1 392.834 4.278 20 0 GIADMO C[C@@H]1[C@H](NC(=O)Nc2cccc(OC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000575351807 823960497 /nfs/dbraw/zinc/96/04/97/823960497.db2.gz ZVWRCKIDUMBWRH-RDTXWAMCSA-N 1 1 375.419 4.073 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCCc4c(O)cccc43)cs2)cc1 ZINC000192368769 823961396 /nfs/dbraw/zinc/96/13/96/823961396.db2.gz AOQLBCNYHBZNGF-IBGZPJMESA-N 1 1 394.496 4.470 20 0 GIADMO CCOc1ccc([C@@H]([NH2+]CCCS(=O)(=O)CC)c2ccccc2Cl)cc1 ZINC000414345431 823961693 /nfs/dbraw/zinc/96/16/93/823961693.db2.gz SWJGXFGYZLRVCZ-HXUWFJFHSA-N 1 1 395.952 4.243 20 0 GIADMO FC1(F)[C@H](c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)[C@H]1c1ccccc1 ZINC000575366834 823963108 /nfs/dbraw/zinc/96/31/08/823963108.db2.gz JGQYSERHHWEVCA-MOPGFXCFSA-N 1 1 397.425 4.085 20 0 GIADMO CCc1ncc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355564 823963733 /nfs/dbraw/zinc/96/37/33/823963733.db2.gz AHVVQBZATAWQON-YLJYHZDGSA-N 1 1 392.469 4.231 20 0 GIADMO CCc1ncc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000414355564 823963737 /nfs/dbraw/zinc/96/37/37/823963737.db2.gz AHVVQBZATAWQON-YLJYHZDGSA-N 1 1 392.469 4.231 20 0 GIADMO CO[C@](C)(C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1F ZINC000192374517 823964057 /nfs/dbraw/zinc/96/40/57/823964057.db2.gz JTHOQOTYSYUYIX-QRQCRPRQSA-N 1 1 381.451 4.059 20 0 GIADMO CS(=O)(=O)c1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000414362693 823965279 /nfs/dbraw/zinc/96/52/79/823965279.db2.gz FOPRWUGKKIBNFX-ZDUSSCGKSA-N 1 1 381.416 4.074 20 0 GIADMO Cc1ccc(C[N@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)nn1 ZINC000414368981 823967021 /nfs/dbraw/zinc/96/70/21/823967021.db2.gz IGWBDTZVYJKGGX-UHFFFAOYSA-N 1 1 397.906 4.012 20 0 GIADMO Cc1ccc(C[N@@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)nn1 ZINC000414368981 823967027 /nfs/dbraw/zinc/96/70/27/823967027.db2.gz IGWBDTZVYJKGGX-UHFFFAOYSA-N 1 1 397.906 4.012 20 0 GIADMO CNc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000575398948 823967173 /nfs/dbraw/zinc/96/71/73/823967173.db2.gz GRLKSKCOBSXAKU-CRAIPNDOSA-N 1 1 379.476 4.022 20 0 GIADMO CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000575398948 823967180 /nfs/dbraw/zinc/96/71/80/823967180.db2.gz GRLKSKCOBSXAKU-CRAIPNDOSA-N 1 1 379.476 4.022 20 0 GIADMO Cn1c(C[NH2+]C2(c3cccc(Br)c3)CCC2)nnc1-c1ccccc1 ZINC000170779400 823969684 /nfs/dbraw/zinc/96/96/84/823969684.db2.gz DSCCJODSGWSFJU-UHFFFAOYSA-N 1 1 397.320 4.414 20 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379.884 4.014 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cc1 ZINC000127071897 824011568 /nfs/dbraw/zinc/01/15/68/824011568.db2.gz RUKKPGYOANAKMK-OAQYLSRUSA-N 1 1 379.504 4.258 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cc1 ZINC000127071897 824011572 /nfs/dbraw/zinc/01/15/72/824011572.db2.gz RUKKPGYOANAKMK-OAQYLSRUSA-N 1 1 379.504 4.258 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000414558075 824011948 /nfs/dbraw/zinc/01/19/48/824011948.db2.gz YLORDHXRJJOCLZ-KRWDZBQOSA-N 1 1 389.952 4.440 20 0 GIADMO Cc1cc(NC(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)n(C(C)(C)C)n1 ZINC000127096671 824016745 /nfs/dbraw/zinc/01/67/45/824016745.db2.gz ZWNCDJRYAXWWDP-IBGZPJMESA-N 1 1 397.567 4.316 20 0 GIADMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000575889229 824020743 /nfs/dbraw/zinc/02/07/43/824020743.db2.gz KQWXWFNTHGFQAA-AWEZNQCLSA-N 1 1 391.441 4.188 20 0 GIADMO COCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 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CC(C)(C)c1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2s1 ZINC001164726590 720358019 /nfs/dbraw/zinc/35/80/19/720358019.db2.gz PWQHANPNNKZKJV-ROUUACIJSA-N 1 1 393.560 4.237 20 0 GIADMO Cc1nc(C2CCCCC2)cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164734747 720426773 /nfs/dbraw/zinc/42/67/73/720426773.db2.gz UAMHRIRHQXMHDH-VXKWHMMOSA-N 1 1 377.536 4.081 20 0 GIADMO c1ccc2c(c1)cc(N1CCCC1)nc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735078 720449891 /nfs/dbraw/zinc/44/98/91/720449891.db2.gz VSVMASNQPBHMKA-GOTSBHOMSA-N 1 1 399.542 4.083 20 0 GIADMO Clc1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(-c2ccccc2)n1 ZINC001164735030 720453807 /nfs/dbraw/zinc/45/38/07/720453807.db2.gz VBNUVXUTUYJSTA-OALUTQOASA-N 1 1 391.906 4.045 20 0 GIADMO CC(C)c1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164729426 720455809 /nfs/dbraw/zinc/45/58/09/720455809.db2.gz HKRUNWFCYMHOEC-PMACEKPBSA-N 1 1 379.552 4.146 20 0 GIADMO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731119 720489281 /nfs/dbraw/zinc/48/92/81/720489281.db2.gz VUIDHQJQUBMLDD-MSOLQXFVSA-N 1 1 382.870 4.276 20 0 GIADMO Cc1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)ccc2c1 ZINC001164840694 720507449 /nfs/dbraw/zinc/50/74/49/720507449.db2.gz XICCOENKHJXLLJ-FUPPJEDESA-N 1 1 389.547 4.118 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3occc31)CC2 ZINC001164839888 720657209 /nfs/dbraw/zinc/65/72/09/720657209.db2.gz KQBNJLHFWNWRGY-IBGZPJMESA-N 1 1 377.488 4.088 20 0 GIADMO Cc1cccc2nc(Cl)nc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c12 ZINC001164861707 720984121 /nfs/dbraw/zinc/98/41/21/720984121.db2.gz QGUSTBRUDSNJQW-OAHLLOKOSA-N 1 1 398.942 4.210 20 0 GIADMO Cc1c[nH]c2nc(Cl)cc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164859654 720995350 /nfs/dbraw/zinc/99/53/50/720995350.db2.gz KXSXQXAYEMHMFW-AWEZNQCLSA-N 1 1 386.931 4.143 20 0 GIADMO Cc1cccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nn2)c1 ZINC001164859767 721002562 /nfs/dbraw/zinc/00/25/62/721002562.db2.gz MLNINYHNWLKCRR-SFHVURJKSA-N 1 1 390.535 4.070 20 0 GIADMO C[N@@H+](Cc1ccc(N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)nc1)C1CC1 ZINC001164772036 721061355 /nfs/dbraw/zinc/06/13/55/721061355.db2.gz OFLVRPCBHKNRHC-ZJSXRUAMSA-N 1 1 377.532 4.219 20 0 GIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164878151 721252975 /nfs/dbraw/zinc/25/29/75/721252975.db2.gz SPGIYBIMCSSEJX-QYZOEREBSA-N 1 1 387.911 4.066 20 0 GIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164874620 721325902 /nfs/dbraw/zinc/32/59/02/721325902.db2.gz CQPDNCDRXONSNS-UHFFFAOYSA-N 1 1 394.853 4.068 20 0 GIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC(=O)N3c2ccsc2)nc1 ZINC001164881278 721359420 /nfs/dbraw/zinc/35/94/20/721359420.db2.gz AVORWHIEXZIKPP-AABGKKOBSA-N 1 1 396.560 4.074 20 0 GIADMO Clc1cnc(Cl)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1Cl ZINC001164780588 721411791 /nfs/dbraw/zinc/41/17/91/721411791.db2.gz BKKGGJXJDYGCTP-NXEZZACHSA-N 1 1 389.739 4.067 20 0 GIADMO Cc1ccc2c(C)cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2c1C ZINC001164788118 721428866 /nfs/dbraw/zinc/42/88/66/721428866.db2.gz RXTRLEDCVDULNY-QZTJIDSGSA-N 1 1 378.545 4.185 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1Cl)CC2 ZINC001164792526 721490851 /nfs/dbraw/zinc/49/08/51/721490851.db2.gz KBESWWHNSAENOP-UHFFFAOYSA-N 1 1 392.334 4.059 20 0 GIADMO COc1ccc(Cl)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164791998 721496807 /nfs/dbraw/zinc/49/68/07/721496807.db2.gz IXNOQNSARIAJME-UHFFFAOYSA-N 1 1 386.927 4.020 20 0 GIADMO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3CCC[C@H](OCC4CC4)[C@@H]3C2)n1 ZINC001164899823 721497902 /nfs/dbraw/zinc/49/79/02/721497902.db2.gz LIFAVQPKPIMROM-SXLOBPIMSA-N 1 1 389.971 4.362 20 0 GIADMO CCc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(Cl)nc1C ZINC001164794531 721503566 /nfs/dbraw/zinc/50/35/66/721503566.db2.gz AKSYXGANEBVOKY-UHFFFAOYSA-N 1 1 399.970 4.277 20 0 GIADMO Cc1ccc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906177 721583771 /nfs/dbraw/zinc/58/37/71/721583771.db2.gz ZLBWKYMMBZMZHA-IBGZPJMESA-N 1 1 392.881 4.176 20 0 GIADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1Cl ZINC001164906584 721694830 /nfs/dbraw/zinc/69/48/30/721694830.db2.gz NNVNTNQJLPHBGU-IBGZPJMESA-N 1 1 392.881 4.176 20 0 GIADMO Cc1cccc2ncnc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164908986 721755365 /nfs/dbraw/zinc/75/53/65/721755365.db2.gz BFWFTBIHEKZZLZ-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1cccc2ncnc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164908986 721755368 /nfs/dbraw/zinc/75/53/68/721755368.db2.gz BFWFTBIHEKZZLZ-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1nc2ccsc2c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024580 721799161 /nfs/dbraw/zinc/79/91/61/721799161.db2.gz MFRMXJNBCYIFBM-HQRMLTQVSA-N 1 1 393.560 4.132 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]21 ZINC001165026157 721804477 /nfs/dbraw/zinc/80/44/77/721804477.db2.gz QAIIJDAXDSVWMB-KIFXHHALSA-N 1 1 399.542 4.276 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CCCC4)C[C@@H]21 ZINC001165026473 721809351 /nfs/dbraw/zinc/80/93/51/721809351.db2.gz QSGYZFKGTJPADI-UNWVZKJWSA-N 1 1 376.548 4.092 20 0 GIADMO Cc1nc(Cl)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001165025872 721814530 /nfs/dbraw/zinc/81/45/30/721814530.db2.gz OAXYBNSCGRTNEO-DFQSSKMNSA-N 1 1 384.955 4.484 20 0 GIADMO Cc1cc(Cl)c(C)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023505 721815511 /nfs/dbraw/zinc/81/55/11/721815511.db2.gz HGPGNVSMCPGQFI-HFSMHLIXSA-N 1 1 384.955 4.484 20 0 GIADMO Cc1cc(Cl)c(C)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165024894 721817476 /nfs/dbraw/zinc/81/74/76/721817476.db2.gz KZRCTXBZRQBICM-CUWPLCDZSA-N 1 1 384.955 4.484 20 0 GIADMO CC(C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165020646 721829652 /nfs/dbraw/zinc/82/96/52/721829652.db2.gz DAPVTNAJZUSJJT-WDSOQIARSA-N 1 1 399.970 4.385 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc(C)cc4Cl)CC3)C2)cc1 ZINC001164939923 721921725 /nfs/dbraw/zinc/92/17/25/721921725.db2.gz WOFBWTCJFQDWFK-UHFFFAOYSA-N 1 1 385.939 4.223 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc5ccccc5cn4)CC3)C2)cc1 ZINC001164939855 721922663 /nfs/dbraw/zinc/92/26/63/721922663.db2.gz OGRHRZMAZBLSIB-UHFFFAOYSA-N 1 1 387.527 4.415 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(Cl)c(C)n4)CC3)C2)cc1 ZINC001164939333 721924676 /nfs/dbraw/zinc/92/46/76/721924676.db2.gz IXWKMGSUGSOTQP-UHFFFAOYSA-N 1 1 385.939 4.223 20 0 GIADMO CCSc1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164941364 721933201 /nfs/dbraw/zinc/93/32/01/721933201.db2.gz HCESSPJKEKXKKH-UHFFFAOYSA-N 1 1 397.588 4.373 20 0 GIADMO Clc1cccc2c1ncnc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953751 722014808 /nfs/dbraw/zinc/01/48/08/722014808.db2.gz XZNPCXODCPAXRB-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2nccc(Cl)n2)C3)c1 ZINC001164992615 722193461 /nfs/dbraw/zinc/19/34/61/722193461.db2.gz ABEVPBMKSZIYDB-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2nccc(Cl)n2)C3)c1 ZINC001164992615 722193466 /nfs/dbraw/zinc/19/34/66/722193466.db2.gz ABEVPBMKSZIYDB-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4nc(Cl)ccc42)C3)c1 ZINC001164995579 722194988 /nfs/dbraw/zinc/19/49/88/722194988.db2.gz VSEDRSNNNBSHJS-NRFANRHFSA-N 1 1 397.885 4.062 20 0 GIADMO COc1ccc2cnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2c1 ZINC001164995452 722197320 /nfs/dbraw/zinc/19/73/20/722197320.db2.gz UZTMYORELWLZSU-HSZRJFAPSA-N 1 1 392.478 4.022 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(-c4ccco4)nn2)C3)c1 ZINC001164994065 722210141 /nfs/dbraw/zinc/21/01/41/722210141.db2.gz FFRWTUPIFXECCO-JOCHJYFZSA-N 1 1 378.451 4.121 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)c2)cc1 ZINC000458477076 823045198 /nfs/dbraw/zinc/04/51/98/823045198.db2.gz AXAUEOZGFWYLLG-SFHVURJKSA-N 1 1 387.549 4.048 20 0 GIADMO Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000570506653 823047790 /nfs/dbraw/zinc/04/77/90/823047790.db2.gz FMMAJOTUDGLEJL-OAQYLSRUSA-N 1 1 376.504 4.438 20 0 GIADMO CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000175821609 823048144 /nfs/dbraw/zinc/04/81/44/823048144.db2.gz GQACCTYXXJFVJC-UXHICEINSA-N 1 1 386.561 4.222 20 0 GIADMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000570511920 823048220 /nfs/dbraw/zinc/04/82/20/823048220.db2.gz KRMHGYQRLSZLLK-LAUBAEHRSA-N 1 1 382.504 4.111 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccccc1Cl ZINC000175830021 823049656 /nfs/dbraw/zinc/04/96/56/823049656.db2.gz QHKLFOZUYGGSQP-PBHICJAKSA-N 1 1 378.925 4.318 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)CCCc2cccnc2)cc1 ZINC000458525844 823050994 /nfs/dbraw/zinc/05/09/94/823050994.db2.gz JQGPHOPTEGNQRE-ROUUACIJSA-N 1 1 391.519 4.347 20 0 GIADMO Fc1ccc(Cn2cc(C[N@H+]3CC[C@H](COCc4ccccc4)C3)cn2)cc1 ZINC000187371181 823051396 /nfs/dbraw/zinc/05/13/96/823051396.db2.gz LOVOVRYRVYXYBV-NRFANRHFSA-N 1 1 379.479 4.109 20 0 GIADMO COc1ccccc1CN(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000175840113 823052213 /nfs/dbraw/zinc/05/22/13/823052213.db2.gz MNAVBOQRMVVNKP-MRXNPFEDSA-N 1 1 378.476 4.092 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000458536504 823052268 /nfs/dbraw/zinc/05/22/68/823052268.db2.gz GMOMWOAUAJHZLI-XLIONFOSSA-N 1 1 383.540 4.010 20 0 GIADMO CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCc2c1ccc(OC)c2F ZINC000570547210 823052261 /nfs/dbraw/zinc/05/22/61/823052261.db2.gz ZPJGVCDZJGPZQZ-HXUWFJFHSA-N 1 1 386.511 4.332 20 0 GIADMO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000570557157 823054226 /nfs/dbraw/zinc/05/42/26/823054226.db2.gz FKEMPQPHDPUNAT-HNAYVOBHSA-N 1 1 389.927 4.320 20 0 GIADMO COCCCOc1cccc(C[NH2+][C@@H](C)c2ncc(Br)cc2F)c1 ZINC000187389597 823054470 /nfs/dbraw/zinc/05/44/70/823054470.db2.gz AFAANIDFOCOVIV-ZDUSSCGKSA-N 1 1 397.288 4.249 20 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GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC(F)(F)C(F)(F)C2)c1 ZINC000459353004 823169266 /nfs/dbraw/zinc/16/92/66/823169266.db2.gz HUWVRUWTELHBCH-UHFFFAOYSA-N 1 1 384.377 4.173 20 0 GIADMO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)ccc1O ZINC000459354645 823169526 /nfs/dbraw/zinc/16/95/26/823169526.db2.gz JHLOPIDOIIXQLD-IAGOWNOFSA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)ccc1O ZINC000459354645 823169532 /nfs/dbraw/zinc/16/95/32/823169532.db2.gz JHLOPIDOIIXQLD-IAGOWNOFSA-N 1 1 381.394 4.118 20 0 GIADMO CC[C@H](C)Oc1ccc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000056570278 823172024 /nfs/dbraw/zinc/17/20/24/823172024.db2.gz OZLDNBMUZOLAHB-SFHVURJKSA-N 1 1 397.519 4.018 20 0 GIADMO C[N@@H+](CCCO)C1CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459358740 823171045 /nfs/dbraw/zinc/17/10/45/823171045.db2.gz WZQVHONEPNPQEL-UITAMQMPSA-N 1 1 394.559 4.057 20 0 GIADMO C[N@@H+](CCCO)C1CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459358743 823171075 /nfs/dbraw/zinc/17/10/75/823171075.db2.gz WZQVHONEPNPQEL-WEVVVXLNSA-N 1 1 394.559 4.057 20 0 GIADMO CO[C@H](C)c1nc(CN2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cs1 ZINC000459360228 823171333 /nfs/dbraw/zinc/17/13/33/823171333.db2.gz RDMINCHLJBKGTJ-LMNJBCLMSA-N 1 1 385.577 4.162 20 0 GIADMO CC(C)c1ccccc1NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571366624 823172285 /nfs/dbraw/zinc/17/22/85/823172285.db2.gz GACTXVYPUFSVBY-FCHUYYIVSA-N 1 1 391.559 4.202 20 0 GIADMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000121378441 823173758 /nfs/dbraw/zinc/17/37/58/823173758.db2.gz RHOSILQBMXBQFT-HIFRSBDPSA-N 1 1 377.419 4.186 20 0 GIADMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000121378441 823173761 /nfs/dbraw/zinc/17/37/61/823173761.db2.gz RHOSILQBMXBQFT-HIFRSBDPSA-N 1 1 377.419 4.186 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@]2(CO)CC(C)C)ccc1OCc1ccncc1 ZINC000188036842 823175030 /nfs/dbraw/zinc/17/50/30/823175030.db2.gz ZTLFLXZTRFBSNA-HSZRJFAPSA-N 1 1 384.520 4.042 20 0 GIADMO CC(=O)N1CC[C@H](C[N@@H+](C)C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459372760 823175415 /nfs/dbraw/zinc/17/54/15/823175415.db2.gz ZSFCZLRUPXAMGJ-FBQZBAQISA-N 1 1 378.516 4.079 20 0 GIADMO Oc1cccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1Br ZINC000459379417 823177486 /nfs/dbraw/zinc/17/74/86/823177486.db2.gz XZHJVNPVEUOIPC-LJQANCHMSA-N 1 1 390.277 4.167 20 0 GIADMO C[C@H]1CN(c2ccccc2CNCc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000459380897 823177925 /nfs/dbraw/zinc/17/79/25/823177925.db2.gz RAYMNSRLZJHZCL-NRFANRHFSA-N 1 1 393.575 4.187 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)c1cnn(-c2ccccc2Cl)c1C(C)C ZINC000188054870 823178497 /nfs/dbraw/zinc/17/84/97/823178497.db2.gz WNJFOCGFZWGILS-UHFFFAOYSA-N 1 1 399.926 4.364 20 0 GIADMO CC(C)n1cnnc1-c1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000176328694 823183117 /nfs/dbraw/zinc/18/31/17/823183117.db2.gz GHPVGOBZBZAZMU-SFHVURJKSA-N 1 1 398.555 4.160 20 0 GIADMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC000176310303 823179008 /nfs/dbraw/zinc/17/90/08/823179008.db2.gz KFHHSLMCCDINRM-QGZVFWFLSA-N 1 1 387.549 4.032 20 0 GIADMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC000176310303 823179010 /nfs/dbraw/zinc/17/90/10/823179010.db2.gz KFHHSLMCCDINRM-QGZVFWFLSA-N 1 1 387.549 4.032 20 0 GIADMO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2Br)cc1OC ZINC000459387236 823180285 /nfs/dbraw/zinc/18/02/85/823180285.db2.gz KDQGQFLEICEKPR-GFCCVEGCSA-N 1 1 380.282 4.413 20 0 GIADMO CCOC(=O)c1noc(C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459397772 823183254 /nfs/dbraw/zinc/18/32/54/823183254.db2.gz JTOAGAWGKRGOIR-HUUCEWRRSA-N 1 1 397.397 4.033 20 0 GIADMO C[C@@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)C[NH+]1CCCCC1 ZINC000459396187 823182589 /nfs/dbraw/zinc/18/25/89/823182589.db2.gz VOHPUWCJBVCTHV-IBGZPJMESA-N 1 1 381.568 4.272 20 0 GIADMO CCCOc1ccc(Oc2ncccc2C[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000459400266 823183780 /nfs/dbraw/zinc/18/37/80/823183780.db2.gz ZWPQKSUHOSKBGX-UHFFFAOYSA-N 1 1 381.520 4.379 20 0 GIADMO CCOc1ccc(-c2nc(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)sc2C)cc1 ZINC000571450444 823184284 /nfs/dbraw/zinc/18/42/84/823184284.db2.gz AFEMEJGCQUVMFA-MRXNPFEDSA-N 1 1 396.516 4.223 20 0 GIADMO CSc1ccsc1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000121443525 823185475 /nfs/dbraw/zinc/18/54/75/823185475.db2.gz BJLIQNJINVAXDI-ZIAGYGMSSA-N 1 1 376.547 4.332 20 0 GIADMO CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1Cl ZINC000188107908 823187664 /nfs/dbraw/zinc/18/76/64/823187664.db2.gz WVFSVULNNXYRGX-VQIMIIECSA-N 1 1 376.928 4.103 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416443 823188007 /nfs/dbraw/zinc/18/80/07/823188007.db2.gz CEWXDGKFUIKGGT-YZUZCNPQSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416443 823188011 /nfs/dbraw/zinc/18/80/11/823188011.db2.gz CEWXDGKFUIKGGT-YZUZCNPQSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416443 823188013 /nfs/dbraw/zinc/18/80/13/823188013.db2.gz CEWXDGKFUIKGGT-YZUZCNPQSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000459416443 823188017 /nfs/dbraw/zinc/18/80/17/823188017.db2.gz CEWXDGKFUIKGGT-YZUZCNPQSA-N 1 1 393.575 4.054 20 0 GIADMO Clc1cccc([C@H](NC2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)c1 ZINC000459443459 823193048 /nfs/dbraw/zinc/19/30/48/823193048.db2.gz PZMHRLVOIVSMBR-QFIPXVFZSA-N 1 1 378.907 4.478 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000121489038 823193742 /nfs/dbraw/zinc/19/37/42/823193742.db2.gz XUQHUHAFXNUPOP-QHCPKHFHSA-N 1 1 389.499 4.253 20 0 GIADMO CCc1noc(-c2ccc(C)c(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)c2)n1 ZINC000176376722 823193860 /nfs/dbraw/zinc/19/38/60/823193860.db2.gz YCQHMUNCIDIMPF-HXUWFJFHSA-N 1 1 390.487 4.211 20 0 GIADMO COCc1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)no1 ZINC000459449261 823194227 /nfs/dbraw/zinc/19/42/27/823194227.db2.gz TYJMRBIKTNTMPT-DNVCBOLYSA-N 1 1 397.441 4.013 20 0 GIADMO COc1ccccc1[C@H](C)CC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000121505993 823196472 /nfs/dbraw/zinc/19/64/72/823196472.db2.gz RPRAZPJHCALBRK-QYZOEREBSA-N 1 1 396.531 4.437 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000121510277 823197361 /nfs/dbraw/zinc/19/73/61/823197361.db2.gz WDJYGGFHIKVERB-RBUKOAKNSA-N 1 1 382.552 4.198 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000121510437 823197431 /nfs/dbraw/zinc/19/74/31/823197431.db2.gz WDJYGGFHIKVERB-OALUTQOASA-N 1 1 382.552 4.198 20 0 GIADMO CCN(C[C@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1)CC(F)(F)F ZINC000176393319 823197649 /nfs/dbraw/zinc/19/76/49/823197649.db2.gz RDMBOXDFMMAROT-QGZVFWFLSA-N 1 1 397.510 4.440 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1)CC(F)(F)F ZINC000176393319 823197650 /nfs/dbraw/zinc/19/76/50/823197650.db2.gz RDMBOXDFMMAROT-QGZVFWFLSA-N 1 1 397.510 4.440 20 0 GIADMO COc1c(F)cc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1F ZINC000056718224 823199088 /nfs/dbraw/zinc/19/90/88/823199088.db2.gz ONJOXYUCZZYDEJ-MRXNPFEDSA-N 1 1 383.826 4.051 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)s1 ZINC000188187573 823200461 /nfs/dbraw/zinc/20/04/61/823200461.db2.gz SGMAJTZIUINHGD-CYBMUJFWSA-N 1 1 385.558 4.290 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)s1 ZINC000188187573 823200467 /nfs/dbraw/zinc/20/04/67/823200467.db2.gz SGMAJTZIUINHGD-CYBMUJFWSA-N 1 1 385.558 4.290 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(F)cc2Br)CCO1 ZINC000459475846 823200498 /nfs/dbraw/zinc/20/04/98/823200498.db2.gz QOZUCPJXXFAXBG-CQSZACIVSA-N 1 1 393.300 4.103 20 0 GIADMO C[C@@H](C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H](C)CO)c1ccccc1 ZINC000571567948 823201834 /nfs/dbraw/zinc/20/18/34/823201834.db2.gz BYPYSBKTHXRMBD-OALUTQOASA-N 1 1 381.495 4.057 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(F)cc3Cl)c2)C[C@H](C)O1 ZINC000121539297 823202121 /nfs/dbraw/zinc/20/21/21/823202121.db2.gz AUPLYFVNAGHIIA-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(F)cc3Cl)c2)C[C@H](C)O1 ZINC000121539297 823202126 /nfs/dbraw/zinc/20/21/26/823202126.db2.gz AUPLYFVNAGHIIA-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000188199746 823202291 /nfs/dbraw/zinc/20/22/91/823202291.db2.gz OKRYACWVQYGPOT-QGZVFWFLSA-N 1 1 393.531 4.115 20 0 GIADMO CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000459490691 823203162 /nfs/dbraw/zinc/20/31/62/823203162.db2.gz YMRNSJRYLUVAIE-KHYOSLBOSA-N 1 1 398.378 4.071 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1)CC(F)(F)F ZINC000176415198 823203747 /nfs/dbraw/zinc/20/37/47/823203747.db2.gz BTUGXBVVDVXBHS-INIZCTEOSA-N 1 1 381.442 4.356 20 0 GIADMO COc1ccc([C@@H](CNC(=O)c2scnc2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000176416465 823203888 /nfs/dbraw/zinc/20/38/88/823203888.db2.gz RTUBWJGHDWLVEH-QGZVFWFLSA-N 1 1 387.549 4.016 20 0 GIADMO c1csc(-c2cccc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2)n1 ZINC000571604278 823206852 /nfs/dbraw/zinc/20/68/52/823206852.db2.gz JMDOCHBVXBEZMC-OAQYLSRUSA-N 1 1 380.513 4.480 20 0 GIADMO CC(C)N1CC[NH+](CCCSc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000188222263 823205598 /nfs/dbraw/zinc/20/55/98/823205598.db2.gz RFQSJJKQAQUNIS-UHFFFAOYSA-N 1 1 390.622 4.078 20 0 GIADMO Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056752674 823207014 /nfs/dbraw/zinc/20/70/14/823207014.db2.gz IIBAHPMKJHWLMD-HSZRJFAPSA-N 1 1 393.531 4.239 20 0 GIADMO CC[C@@H]([NH2+][C@@H]1CCCc2cn(CCOC)nc21)c1cc(Cl)ccc1OC ZINC000571606434 823207317 /nfs/dbraw/zinc/20/73/17/823207317.db2.gz JUAKXGGQSSUYIQ-QZTJIDSGSA-N 1 1 377.916 4.310 20 0 GIADMO CC(C)Oc1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1Cl ZINC000188234523 823207398 /nfs/dbraw/zinc/20/73/98/823207398.db2.gz XGZXJIOFSXFVLS-SFHVURJKSA-N 1 1 381.925 4.003 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCC[C@@H]1C1CCCCC1 ZINC000056760960 823208548 /nfs/dbraw/zinc/20/85/48/823208548.db2.gz MFARAPTUZWNSKS-JOCHJYFZSA-N 1 1 385.552 4.138 20 0 GIADMO CCn1c(C[NH+]2CCC3(CC2)OCCc2ccccc23)nc2cc(F)ccc21 ZINC000459513903 823208611 /nfs/dbraw/zinc/20/86/11/823208611.db2.gz FVRVGNVYILEDHH-UHFFFAOYSA-N 1 1 379.479 4.259 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1cccc(-c2nccs2)c1)[NH+](C)C ZINC000056778422 823212267 /nfs/dbraw/zinc/21/22/67/823212267.db2.gz YDSXUVZJZIGJRO-SFHVURJKSA-N 1 1 396.516 4.243 20 0 GIADMO CCOc1cc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)cc(Cl)c1O ZINC000459515609 823209016 /nfs/dbraw/zinc/20/90/16/823209016.db2.gz REPGEVXDHJKPMO-UHFFFAOYSA-N 1 1 397.906 4.479 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[NH2+]C(C)(C)CCN1CCN(C)CC1 ZINC000459522393 823210364 /nfs/dbraw/zinc/21/03/64/823210364.db2.gz HVMPNOFCIFMYHS-UHFFFAOYSA-N 1 1 395.591 4.176 20 0 GIADMO CC(C)(C)n1ncnc1C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459524091 823210964 /nfs/dbraw/zinc/21/09/64/823210964.db2.gz HLEQWRRURXXPFE-JXMROGBWSA-N 1 1 376.504 4.415 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459523471 823211047 /nfs/dbraw/zinc/21/10/47/823211047.db2.gz NEKKVPNFVILMJV-UHFFFAOYSA-N 1 1 384.907 4.151 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(-c3nccs3)c2)cn1 ZINC000056776461 823211548 /nfs/dbraw/zinc/21/15/48/823211548.db2.gz NVGOAKFTFFHDBC-UHFFFAOYSA-N 1 1 390.472 4.021 20 0 GIADMO C[C@H]1C[N@@H+](C2c3ccccc3-c3ccccc32)CCN1C(=O)c1cscn1 ZINC000459525608 823211601 /nfs/dbraw/zinc/21/16/01/823211601.db2.gz VFZFYFVXYDZVDO-HNNXBMFYSA-N 1 1 375.497 4.059 20 0 GIADMO C[C@H]1C[N@H+](C2c3ccccc3-c3ccccc32)CCN1C(=O)c1cscn1 ZINC000459525608 823211605 /nfs/dbraw/zinc/21/16/05/823211605.db2.gz VFZFYFVXYDZVDO-HNNXBMFYSA-N 1 1 375.497 4.059 20 0 GIADMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459527019 823211828 /nfs/dbraw/zinc/21/18/28/823211828.db2.gz WNVQIDNIPMWJIX-STQMWFEESA-N 1 1 383.439 4.069 20 0 GIADMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459527019 823211832 /nfs/dbraw/zinc/21/18/32/823211832.db2.gz WNVQIDNIPMWJIX-STQMWFEESA-N 1 1 383.439 4.069 20 0 GIADMO COCc1cc(C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@H]2C)no1 ZINC000459549602 823217832 /nfs/dbraw/zinc/21/78/32/823217832.db2.gz FCEWLNUWFSTSJH-OXQOHEQNSA-N 1 1 388.508 4.419 20 0 GIADMO CCOc1cc(C[N@@H+]2CCC=C(c3ccncc3)C2)cc(Br)c1O ZINC000459549786 823217908 /nfs/dbraw/zinc/21/79/08/823217908.db2.gz NUIIXAVGGJSGFK-UHFFFAOYSA-N 1 1 389.293 4.238 20 0 GIADMO CCOc1cc(C[N@H+]2CCC=C(c3ccncc3)C2)cc(Br)c1O ZINC000459549786 823217910 /nfs/dbraw/zinc/21/79/10/823217910.db2.gz NUIIXAVGGJSGFK-UHFFFAOYSA-N 1 1 389.293 4.238 20 0 GIADMO C[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000188282620 823214058 /nfs/dbraw/zinc/21/40/58/823214058.db2.gz ZZROGDKBGSSCRM-KDOFPFPSSA-N 1 1 377.423 4.082 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000459535434 823214181 /nfs/dbraw/zinc/21/41/81/823214181.db2.gz NZXABVOWGMITNS-YADHBBJMSA-N 1 1 393.531 4.047 20 0 GIADMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)nc3)CC2(C)C)cn1 ZINC000571653741 823214880 /nfs/dbraw/zinc/21/48/80/823214880.db2.gz JYFGVETWHSZHAD-NRFANRHFSA-N 1 1 376.504 4.020 20 0 GIADMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3cccc(SC(F)F)c3)CC2)c1 ZINC000121612626 823215921 /nfs/dbraw/zinc/21/59/21/823215921.db2.gz QJYMQPYFEDEKMN-UHFFFAOYSA-N 1 1 378.448 4.059 20 0 GIADMO Cc1cc(N2CCC[C@@H](OC(=O)c3ccc4ccc(Cl)cc4n3)C2)nc(C)[nH+]1 ZINC000176482971 823218334 /nfs/dbraw/zinc/21/83/34/823218334.db2.gz UWXKIJAEBRTTRN-QGZVFWFLSA-N 1 1 396.878 4.121 20 0 GIADMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459546014 823217203 /nfs/dbraw/zinc/21/72/03/823217203.db2.gz MBWRGUDHSYJBSP-KXMLYBLQSA-N 1 1 392.543 4.074 20 0 GIADMO CC1(C)C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H]1[C@H]1CCCO1 ZINC000459562879 823220841 /nfs/dbraw/zinc/22/08/41/823220841.db2.gz NQVOJUFHAVCFHC-IRLDBZIGSA-N 1 1 380.536 4.450 20 0 GIADMO COC(=O)C[C@@](C)([NH2+]Cc1c(C)nsc1C)c1ccc(Br)cc1 ZINC000571697473 823220972 /nfs/dbraw/zinc/22/09/72/823220972.db2.gz HXPGWSNWGFINQV-QGZVFWFLSA-N 1 1 397.338 4.091 20 0 GIADMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459561956 823220974 /nfs/dbraw/zinc/22/09/74/823220974.db2.gz MJIUIUBDGVUPNV-FMOCSNJPSA-N 1 1 392.543 4.074 20 0 GIADMO C[C@@H](C[NH+]1CC(Cc2ccccc2Cl)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000459564285 823221137 /nfs/dbraw/zinc/22/11/37/823221137.db2.gz QHMASIAKOGRFDA-HNNXBMFYSA-N 1 1 377.937 4.022 20 0 GIADMO C[C@]1(c2ccccc2)C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000121642857 823221460 /nfs/dbraw/zinc/22/14/60/823221460.db2.gz WISRPWRYVCSCBM-XMMPIXPASA-N 1 1 378.516 4.060 20 0 GIADMO C[C@]1(c2ccccc2)C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCO1 ZINC000121642857 823221466 /nfs/dbraw/zinc/22/14/66/823221466.db2.gz WISRPWRYVCSCBM-XMMPIXPASA-N 1 1 378.516 4.060 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000459565065 823221563 /nfs/dbraw/zinc/22/15/63/823221563.db2.gz RFWFIZZWTGGIJG-FQEVSTJZSA-N 1 1 378.516 4.115 20 0 GIADMO CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1c(C)noc1C ZINC000409452655 823221936 /nfs/dbraw/zinc/22/19/36/823221936.db2.gz JDFDCHKTDLTPCH-LJQANCHMSA-N 1 1 389.927 4.173 20 0 GIADMO CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1c(C)noc1C ZINC000409452655 823221944 /nfs/dbraw/zinc/22/19/44/823221944.db2.gz JDFDCHKTDLTPCH-LJQANCHMSA-N 1 1 389.927 4.173 20 0 GIADMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@@H]2C1 ZINC000459570624 823222598 /nfs/dbraw/zinc/22/25/98/823222598.db2.gz MPZXISQFDWKNLZ-DBXWQHBBSA-N 1 1 380.536 4.043 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cnn(-c3ccc(C)cc3)c1C(C)C)CC2 ZINC000571688981 823219068 /nfs/dbraw/zinc/21/90/68/823219068.db2.gz MWMFFOXIRVVZEG-QGZVFWFLSA-N 1 1 377.492 4.010 20 0 GIADMO CCOc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc(Br)c1O ZINC000459554926 823219232 /nfs/dbraw/zinc/21/92/32/823219232.db2.gz GGVDKDDNFMTRJB-DZGCQCFKSA-N 1 1 376.241 4.031 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc(Br)c1O ZINC000459554926 823219236 /nfs/dbraw/zinc/21/92/36/823219236.db2.gz GGVDKDDNFMTRJB-DZGCQCFKSA-N 1 1 376.241 4.031 20 0 GIADMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1 ZINC000459574226 823223496 /nfs/dbraw/zinc/22/34/96/823223496.db2.gz RYTIZLDBOZADOJ-JTHBVZDNSA-N 1 1 394.515 4.002 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1Cc2sccc2CC1(C)C ZINC000459583001 823224960 /nfs/dbraw/zinc/22/49/60/823224960.db2.gz OMUSTEZEIZMJHE-UHFFFAOYSA-N 1 1 383.561 4.432 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1Cc2sccc2CC1(C)C ZINC000459583001 823224962 /nfs/dbraw/zinc/22/49/62/823224962.db2.gz OMUSTEZEIZMJHE-UHFFFAOYSA-N 1 1 383.561 4.432 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000056866355 823225693 /nfs/dbraw/zinc/22/56/93/823225693.db2.gz VCBJENFFJQMULU-OAHLLOKOSA-N 1 1 383.483 4.111 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000121665880 823225725 /nfs/dbraw/zinc/22/57/25/823225725.db2.gz KASRZSHUZAEFHP-UHFFFAOYSA-N 1 1 387.446 4.403 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409464313 823226167 /nfs/dbraw/zinc/22/61/67/823226167.db2.gz PCRNABISTKRASB-MDYRTPRTSA-N 1 1 396.934 4.185 20 0 GIADMO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1nc2c(s1)CCC2 ZINC000459630211 823232727 /nfs/dbraw/zinc/23/27/27/823232727.db2.gz ALLHFQFFLGPEBI-NSHDSACASA-N 1 1 398.359 4.248 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccc(Br)cc1 ZINC000459627194 823231960 /nfs/dbraw/zinc/23/19/60/823231960.db2.gz BCQKNMNCYSBRRT-QWRGUYRKSA-N 1 1 394.338 4.072 20 0 GIADMO CCc1nocc1C[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000571785786 823234019 /nfs/dbraw/zinc/23/40/19/823234019.db2.gz HWWSVKSGONQDDX-UHFFFAOYSA-N 1 1 388.103 4.394 20 0 GIADMO CCc1nocc1C[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000571785786 823234023 /nfs/dbraw/zinc/23/40/23/823234023.db2.gz HWWSVKSGONQDDX-UHFFFAOYSA-N 1 1 388.103 4.394 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccccc1C(F)(F)F ZINC000459634413 823234172 /nfs/dbraw/zinc/23/41/72/823234172.db2.gz MWZOWZWKSFSMHA-MNOVXSKESA-N 1 1 383.439 4.328 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC12CCOCC2 ZINC000459646247 823237448 /nfs/dbraw/zinc/23/74/48/823237448.db2.gz RVEBCBRGWPOKQR-SFHVURJKSA-N 1 1 379.426 4.053 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc2c(s1)CCC2 ZINC000459637246 823235245 /nfs/dbraw/zinc/23/52/45/823235245.db2.gz LKIWNRKBRQHIBL-WDEREUQCSA-N 1 1 399.438 4.208 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000571809927 823237630 /nfs/dbraw/zinc/23/76/30/823237630.db2.gz DHZZUISONRIXLM-UHFFFAOYSA-N 1 1 395.890 4.489 20 0 GIADMO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cccc1-c1ccccn1 ZINC000121715586 823236190 /nfs/dbraw/zinc/23/61/90/823236190.db2.gz LVLSKLLBKWIYKQ-UHFFFAOYSA-N 1 1 385.511 4.405 20 0 GIADMO COc1ccc([C@H](NC2CC[NH+](Cc3ccccn3)CC2)c2ccco2)cc1 ZINC000571802744 823236229 /nfs/dbraw/zinc/23/62/29/823236229.db2.gz HDAOYOJTRLXSHT-QHCPKHFHSA-N 1 1 377.488 4.027 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)CC12CCOCC2 ZINC000459642919 823236468 /nfs/dbraw/zinc/23/64/68/823236468.db2.gz CCZZBNCRSSJIQI-LJQANCHMSA-N 1 1 383.454 4.235 20 0 GIADMO CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459647019 823237838 /nfs/dbraw/zinc/23/78/38/823237838.db2.gz JMGZMMNYBNOUQG-SFHVURJKSA-N 1 1 387.442 4.275 20 0 GIADMO CC1CCN(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000056992750 823238413 /nfs/dbraw/zinc/23/84/13/823238413.db2.gz MXHVCUMLKFMDSI-UHFFFAOYSA-N 1 1 383.458 4.111 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459650234 823238864 /nfs/dbraw/zinc/23/88/64/823238864.db2.gz XCUXSOIHBMKNJJ-GOSISDBHSA-N 1 1 398.469 4.430 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459650234 823238865 /nfs/dbraw/zinc/23/88/65/823238865.db2.gz XCUXSOIHBMKNJJ-GOSISDBHSA-N 1 1 398.469 4.430 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650395 823239189 /nfs/dbraw/zinc/23/91/89/823239189.db2.gz XTQJIAPDPRGSNJ-LJQANCHMSA-N 1 1 399.453 4.469 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459650395 823239192 /nfs/dbraw/zinc/23/91/92/823239192.db2.gz XTQJIAPDPRGSNJ-LJQANCHMSA-N 1 1 399.453 4.469 20 0 GIADMO Cc1c(O)ccc2c(C[N@@H+](C)Cc3ccc(OC(F)F)cc3)cc(=O)oc12 ZINC000057024666 823240642 /nfs/dbraw/zinc/24/06/42/823240642.db2.gz LEKWWKKXHJPSAN-UHFFFAOYSA-N 1 1 375.371 4.040 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000571837148 823242675 /nfs/dbraw/zinc/24/26/75/823242675.db2.gz BJLDIZYUGUQNKH-ORAYPTAESA-N 1 1 396.865 4.115 20 0 GIADMO O=C(Nc1cccc(Cl)c1)c1ccc(NCc2c[nH+]c3n2CCCC3)nc1 ZINC000571828938 823240893 /nfs/dbraw/zinc/24/08/93/823240893.db2.gz RSNQUFWNKGYAEY-UHFFFAOYSA-N 1 1 381.867 4.132 20 0 GIADMO Fc1cc(F)cc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000121742628 823241006 /nfs/dbraw/zinc/24/10/06/823241006.db2.gz ZSYWUOHIMIGESL-CYBMUJFWSA-N 1 1 396.363 4.406 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000571837134 823242271 /nfs/dbraw/zinc/24/22/71/823242271.db2.gz BDZNVFIAALABRY-DEOSSOPVSA-N 1 1 379.475 4.285 20 0 GIADMO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1c[nH]c2ccccc12 ZINC000459658885 823243040 /nfs/dbraw/zinc/24/30/40/823243040.db2.gz JILDGVPBUNZGHS-GOSISDBHSA-N 1 1 380.410 4.032 20 0 GIADMO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1c[nH]c2ccccc12 ZINC000459658885 823243044 /nfs/dbraw/zinc/24/30/44/823243044.db2.gz JILDGVPBUNZGHS-GOSISDBHSA-N 1 1 380.410 4.032 20 0 GIADMO CCC(=O)c1ccc(OCCCCC(=O)Nc2c[nH+]ccc2-n2cccn2)cc1 ZINC000409533773 823243883 /nfs/dbraw/zinc/24/38/83/823243883.db2.gz IPQGIPJDKRUZBE-UHFFFAOYSA-N 1 1 392.459 4.048 20 0 GIADMO COCc1nc(CN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000571845083 823244426 /nfs/dbraw/zinc/24/44/26/823244426.db2.gz UGWCLROFYUBZDD-HMXCVIKNSA-N 1 1 385.577 4.070 20 0 GIADMO FC(F)(F)c1cccnc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459665602 823245389 /nfs/dbraw/zinc/24/53/89/823245389.db2.gz QRJSMKHSZVHORS-CQSZACIVSA-N 1 1 382.348 4.281 20 0 GIADMO FC(F)(F)c1cccnc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459665602 823245390 /nfs/dbraw/zinc/24/53/90/823245390.db2.gz QRJSMKHSZVHORS-CQSZACIVSA-N 1 1 382.348 4.281 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNc3ncnc4[nH]c5ccccc5c43)CC2)oc1C ZINC000571851825 823245674 /nfs/dbraw/zinc/24/56/74/823245674.db2.gz ZIVHSMBPFYWJEY-UHFFFAOYSA-N 1 1 390.491 4.040 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CCC[C@H]3OC(F)F)c2c1C ZINC000409542170 823245915 /nfs/dbraw/zinc/24/59/15/823245915.db2.gz DPBQKRHRGGJEFB-ZIAGYGMSSA-N 1 1 396.507 4.476 20 0 GIADMO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc(N2CCCC2)c1 ZINC000176606262 823246933 /nfs/dbraw/zinc/24/69/33/823246933.db2.gz CNGWKFHMSFNMAP-LJQANCHMSA-N 1 1 384.568 4.008 20 0 GIADMO CC(C)(C)[C@H]([NH2+]Cn1cc(Br)c([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000057087905 823248446 /nfs/dbraw/zinc/24/84/46/823248446.db2.gz XQWCZBODIHMKKH-CYBMUJFWSA-N 1 1 385.237 4.027 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)n1 ZINC000057088448 823248458 /nfs/dbraw/zinc/24/84/58/823248458.db2.gz YMIHOBUBYFJSKB-GOSISDBHSA-N 1 1 375.472 4.100 20 0 GIADMO Cc1cccc2nc(C3CCN(C(=O)[C@H](c4ccccc4)[NH+](C)C)CC3)oc21 ZINC000188491288 823249897 /nfs/dbraw/zinc/24/98/97/823249897.db2.gz HEIWFSPKHBLOGR-FQEVSTJZSA-N 1 1 377.488 4.145 20 0 GIADMO CCC[N@H+](Cn1nc(-c2cccnc2)n(C)c1=S)[C@H]1CCc2ccccc2C1 ZINC000057104970 823249917 /nfs/dbraw/zinc/24/99/17/823249917.db2.gz MYDOZGHJSXPPRT-FQEVSTJZSA-N 1 1 393.560 4.240 20 0 GIADMO CCC[N@@H+](Cn1nc(-c2cccnc2)n(C)c1=S)[C@H]1CCc2ccccc2C1 ZINC000057104970 823249925 /nfs/dbraw/zinc/24/99/25/823249925.db2.gz MYDOZGHJSXPPRT-FQEVSTJZSA-N 1 1 393.560 4.240 20 0 GIADMO CCN(C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)[C@H](C)c1ccc(F)cc1 ZINC000057118188 823250693 /nfs/dbraw/zinc/25/06/93/823250693.db2.gz DCXKSHHMPCSXEG-OAHLLOKOSA-N 1 1 381.455 4.008 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](c2ccccc2)C2CCCC2)cn1 ZINC000057118191 823250706 /nfs/dbraw/zinc/25/07/06/823250706.db2.gz JQNIKSNSEFEPQP-QFIPXVFZSA-N 1 1 389.503 4.306 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000176624087 823251539 /nfs/dbraw/zinc/25/15/39/823251539.db2.gz XTUYSVCCAWNFHL-UHFFFAOYSA-N 1 1 392.421 4.212 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cn1 ZINC000057127439 823252024 /nfs/dbraw/zinc/25/20/24/823252024.db2.gz NXHFFPXFLMGWON-IBGZPJMESA-N 1 1 395.894 4.276 20 0 GIADMO CCOC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000459693972 823252138 /nfs/dbraw/zinc/25/21/38/823252138.db2.gz IGJWULJKZNIPMQ-KRWDZBQOSA-N 1 1 382.464 4.091 20 0 GIADMO CCOC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000459693972 823252143 /nfs/dbraw/zinc/25/21/43/823252143.db2.gz IGJWULJKZNIPMQ-KRWDZBQOSA-N 1 1 382.464 4.091 20 0 GIADMO CCOC[C@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000459701727 823253133 /nfs/dbraw/zinc/25/31/33/823253133.db2.gz FEHUQONBPBZFAN-GOSISDBHSA-N 1 1 387.549 4.024 20 0 GIADMO CCOC[C@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000459701727 823253137 /nfs/dbraw/zinc/25/31/37/823253137.db2.gz FEHUQONBPBZFAN-GOSISDBHSA-N 1 1 387.549 4.024 20 0 GIADMO O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000176634519 823254130 /nfs/dbraw/zinc/25/41/30/823254130.db2.gz NSZBYOOFSRWMGR-UHFFFAOYSA-N 1 1 383.923 4.493 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(F)cc2C(F)(F)F)[C@@H]1O ZINC000459712722 823255170 /nfs/dbraw/zinc/25/51/70/823255170.db2.gz SYXHXAQCKNCXMZ-HIFRSBDPSA-N 1 1 375.387 4.269 20 0 GIADMO CN(CC(F)(F)F)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000409594271 823256890 /nfs/dbraw/zinc/25/68/90/823256890.db2.gz LRCWMLYWCLYOKF-INIZCTEOSA-N 1 1 397.466 4.051 20 0 GIADMO CN(CC(F)(F)F)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000409594271 823256894 /nfs/dbraw/zinc/25/68/94/823256894.db2.gz LRCWMLYWCLYOKF-INIZCTEOSA-N 1 1 397.466 4.051 20 0 GIADMO Cc1nccc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)n1 ZINC000057169311 823258261 /nfs/dbraw/zinc/25/82/61/823258261.db2.gz JQRLLGMONJCTHF-OAQYLSRUSA-N 1 1 386.499 4.303 20 0 GIADMO O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000057169340 823258384 /nfs/dbraw/zinc/25/83/84/823258384.db2.gz YVFXFOQYINUWBV-PZJWPPBQSA-N 1 1 389.499 4.198 20 0 GIADMO C[C@H]1CCN(C(=O)NC[C@H]2CCCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000409616000 823262667 /nfs/dbraw/zinc/26/26/67/823262667.db2.gz BTIIPGUXFSRXOB-HKUYNNGSSA-N 1 1 379.495 4.118 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C1CCCC1 ZINC000459776716 823263773 /nfs/dbraw/zinc/26/37/73/823263773.db2.gz XOWXYIZJICOPOC-DOTOQJQBSA-N 1 1 375.406 4.140 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000121856461 823263799 /nfs/dbraw/zinc/26/37/99/823263799.db2.gz FULORTFAOFRASY-OAHLLOKOSA-N 1 1 396.457 4.436 20 0 GIADMO COCc1nc(CNc2[nH+]c3cccc(F)c3n2C)c(-c2ccccc2)s1 ZINC000409636926 823269392 /nfs/dbraw/zinc/26/93/92/823269392.db2.gz FNYSDLVDVLNNLG-UHFFFAOYSA-N 1 1 382.464 4.016 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC[C@H]1CCCC(F)(F)C1 ZINC000409626663 823265574 /nfs/dbraw/zinc/26/55/74/823265574.db2.gz JKSPJDOYBYYNPI-JKSUJKDBSA-N 1 1 385.524 4.085 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000057215905 823265666 /nfs/dbraw/zinc/26/56/66/823265666.db2.gz KIVRNPKCQGTYKO-UHFFFAOYSA-N 1 1 398.522 4.031 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459807638 823266540 /nfs/dbraw/zinc/26/65/40/823266540.db2.gz NUDWVXWMTREGMQ-IRXDYDNUSA-N 1 1 376.541 4.355 20 0 GIADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000176684327 823267195 /nfs/dbraw/zinc/26/71/95/823267195.db2.gz WHEPGAIRQLZSDO-GOSISDBHSA-N 1 1 383.496 4.000 20 0 GIADMO CN(C(=O)C[N@H+]1CC[C@@H](c2cccnc2)C1)C(c1ccccc1)c1ccccc1 ZINC000571998028 823267556 /nfs/dbraw/zinc/26/75/56/823267556.db2.gz LUYMTMNWOIWZEC-HSZRJFAPSA-N 1 1 385.511 4.119 20 0 GIADMO CC(C)(C)c1ncsc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000176687463 823267986 /nfs/dbraw/zinc/26/79/86/823267986.db2.gz GVGRRGHYBHOHGC-CQSZACIVSA-N 1 1 377.579 4.144 20 0 GIADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1ccco1 ZINC000121898173 823272588 /nfs/dbraw/zinc/27/25/88/823272588.db2.gz WQIYMGQYAHFIQL-HXUWFJFHSA-N 1 1 393.487 4.249 20 0 GIADMO COc1c(Cl)cccc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572082183 823280267 /nfs/dbraw/zinc/28/02/67/823280267.db2.gz YTWGQOXYWJCLAW-QZTJIDSGSA-N 1 1 399.922 4.334 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000176731364 823280105 /nfs/dbraw/zinc/28/01/05/823280105.db2.gz FKOZOAXZLAXKET-UHFFFAOYSA-N 1 1 380.895 4.041 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(OCc3ccccc3F)cc1)C2 ZINC000572084196 823280652 /nfs/dbraw/zinc/28/06/52/823280652.db2.gz XPSXOWPCLHBBLP-MRXNPFEDSA-N 1 1 379.435 4.111 20 0 GIADMO O=C(CCCC1CCOCC1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000409680204 823281371 /nfs/dbraw/zinc/28/13/71/823281371.db2.gz VHFWCZPTJPRLGF-OAQYLSRUSA-N 1 1 392.971 4.408 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(OC)c(-c3ccccn3)c2)c1 ZINC000121950780 823283765 /nfs/dbraw/zinc/28/37/65/823283765.db2.gz ADJGPMOWUDVDDR-UHFFFAOYSA-N 1 1 389.499 4.139 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460101112 823284599 /nfs/dbraw/zinc/28/45/99/823284599.db2.gz DNUAOCFLRIKDMJ-OAGGEKHMSA-N 1 1 377.495 4.259 20 0 GIADMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000409701326 823285921 /nfs/dbraw/zinc/28/59/21/823285921.db2.gz YWUCXYXKASWMHT-SNVBAGLBSA-N 1 1 383.336 4.188 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409704499 823286571 /nfs/dbraw/zinc/28/65/71/823286571.db2.gz YNPQNZIUNVBXCK-RBUKOAKNSA-N 1 1 396.579 4.245 20 0 GIADMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460132115 823291317 /nfs/dbraw/zinc/29/13/17/823291317.db2.gz JLLTUYOYRPMCBL-YJBOKZPZSA-N 1 1 380.454 4.212 20 0 GIADMO Oc1ccc(N2CC[NH+](Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 ZINC000007285422 817810827 /nfs/dbraw/zinc/81/08/27/817810827.db2.gz ZPRMUOXMYCMVTH-UHFFFAOYSA-N 1 1 390.512 4.091 20 0 GIADMO Cc1ccncc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000460126939 823289942 /nfs/dbraw/zinc/28/99/42/823289942.db2.gz JJDKDVINZLMIFJ-QFBILLFUSA-N 1 1 391.437 4.222 20 0 GIADMO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)c1 ZINC000007355607 817822481 /nfs/dbraw/zinc/82/24/81/817822481.db2.gz DAJZKXKJLKSWCG-UHFFFAOYSA-N 1 1 381.520 4.146 20 0 GIADMO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)c1 ZINC000007355607 817822489 /nfs/dbraw/zinc/82/24/89/817822489.db2.gz DAJZKXKJLKSWCG-UHFFFAOYSA-N 1 1 381.520 4.146 20 0 GIADMO Cn1c2c(cccc2F)nc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000409722290 823290960 /nfs/dbraw/zinc/29/09/60/823290960.db2.gz NYTVSDSZHYWSDB-UHFFFAOYSA-N 1 1 378.495 4.205 20 0 GIADMO CCN(C(=O)Nc1cccc(OCCF)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460136193 823293042 /nfs/dbraw/zinc/29/30/42/823293042.db2.gz XKVPNTWVVXLBDG-HXUWFJFHSA-N 1 1 385.483 4.163 20 0 GIADMO CC(C)([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)c1cc(C(F)(F)F)on1 ZINC000572194002 823298028 /nfs/dbraw/zinc/29/80/28/823298028.db2.gz DJGXWRVHUAZDJX-OAHLLOKOSA-N 1 1 394.393 4.111 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1C(F)(F)F ZINC000122025816 823295482 /nfs/dbraw/zinc/29/54/82/823295482.db2.gz NJJNMBRTJALVTQ-MRXNPFEDSA-N 1 1 394.412 4.139 20 0 GIADMO COc1cccc(C[N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000007679394 817893156 /nfs/dbraw/zinc/89/31/56/817893156.db2.gz WPAWDKLPGZKPOE-QFIPXVFZSA-N 1 1 398.503 4.233 20 0 GIADMO COc1cccc(C[N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000007679394 817893160 /nfs/dbraw/zinc/89/31/60/817893160.db2.gz WPAWDKLPGZKPOE-QFIPXVFZSA-N 1 1 398.503 4.233 20 0 GIADMO COCCCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000572186074 823296690 /nfs/dbraw/zinc/29/66/90/823296690.db2.gz LFRVGKIFSITSCB-JOZNFPNDSA-N 1 1 394.559 4.387 20 0 GIADMO COCCCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000572186074 823296693 /nfs/dbraw/zinc/29/66/93/823296693.db2.gz LFRVGKIFSITSCB-JOZNFPNDSA-N 1 1 394.559 4.387 20 0 GIADMO Cc1nc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)oc1-c1ccc(Cl)cc1 ZINC000122061476 823300640 /nfs/dbraw/zinc/30/06/40/823300640.db2.gz GHMSFPRDNXCSPZ-LJQANCHMSA-N 1 1 390.911 4.463 20 0 GIADMO COc1ccc(CNC(=O)C[N@H+](Cc2ccc(C(C)C)cc2)C2CC2)cc1OC ZINC000007797562 817917529 /nfs/dbraw/zinc/91/75/29/817917529.db2.gz BKSMRFRYTFTLNM-UHFFFAOYSA-N 1 1 396.531 4.108 20 0 GIADMO COc1ccc(CNC(=O)C[N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)cc1OC ZINC000007797562 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ZINC000058026607 823355662 /nfs/dbraw/zinc/35/56/62/823355662.db2.gz VYZIIDNONNESHT-UHFFFAOYSA-N 1 1 391.519 4.133 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014828 818763684 /nfs/dbraw/zinc/76/36/84/818763684.db2.gz OQSAPIVMZIZEPT-LJQANCHMSA-N 1 1 380.488 4.139 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000022014828 818763689 /nfs/dbraw/zinc/76/36/89/818763689.db2.gz OQSAPIVMZIZEPT-LJQANCHMSA-N 1 1 380.488 4.139 20 0 GIADMO CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412055783 823624448 /nfs/dbraw/zinc/62/44/48/823624448.db2.gz MNJMMCCAHYRGSW-ROUUACIJSA-N 1 1 379.342 4.377 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000122490419 823362275 /nfs/dbraw/zinc/36/22/75/823362275.db2.gz SWMVGLPJVYJCSB-YJBOKZPZSA-N 1 1 388.483 4.103 20 0 GIADMO COCCOc1ccc(Cl)cc1-c1noc([C@@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000572567016 823362445 /nfs/dbraw/zinc/36/24/45/823362445.db2.gz JMZXDZMBVWZJLT-LJQANCHMSA-N 1 1 397.878 4.084 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000177065877 823362805 /nfs/dbraw/zinc/36/28/05/823362805.db2.gz UQWZYTFEJUHKRJ-WZQKQDCOSA-N 1 1 390.574 4.391 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1N1CCc2ccccc21)c1ccco1 ZINC000058119551 823363058 /nfs/dbraw/zinc/36/30/58/823363058.db2.gz GULPJDLYEIIOCP-OAQYLSRUSA-N 1 1 390.487 4.398 20 0 GIADMO COc1cccc(C[N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)c1 ZINC000022198388 818782006 /nfs/dbraw/zinc/78/20/06/818782006.db2.gz WEUJNWTUVJRDKR-UHFFFAOYSA-N 1 1 395.272 4.057 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000022199043 818782517 /nfs/dbraw/zinc/78/25/17/818782517.db2.gz NBUCMUFEBXKCDE-UHFFFAOYSA-N 1 1 395.286 4.225 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000177068848 823363914 /nfs/dbraw/zinc/36/39/14/823363914.db2.gz YUMIIRUYNKCFET-KSSFIOAISA-N 1 1 387.351 4.045 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000177068522 823364087 /nfs/dbraw/zinc/36/40/87/823364087.db2.gz OGGKEVRUGAAGLU-ZDUSSCGKSA-N 1 1 377.460 4.092 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)C2 ZINC000572576005 823364169 /nfs/dbraw/zinc/36/41/69/823364169.db2.gz HQDGTTAFIMYPPW-AWEZNQCLSA-N 1 1 392.425 4.012 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)C2 ZINC000572576006 823364228 /nfs/dbraw/zinc/36/42/28/823364228.db2.gz HQDGTTAFIMYPPW-CQSZACIVSA-N 1 1 392.425 4.012 20 0 GIADMO Cc1cc(CNC(=O)N[C@@H](C)C(C)(C)c2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000460363730 823364366 /nfs/dbraw/zinc/36/43/66/823364366.db2.gz PRTPJYMFINFEGL-SFHVURJKSA-N 1 1 380.536 4.156 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000460366026 823364960 /nfs/dbraw/zinc/36/49/60/823364960.db2.gz PZYFIEHKFWUWQD-OXJNMPFZSA-N 1 1 388.943 4.244 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000460367116 823365495 /nfs/dbraw/zinc/36/54/95/823365495.db2.gz UZCIDYLLZCFJCO-CXAGYDPISA-N 1 1 379.382 4.002 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000460367116 823365500 /nfs/dbraw/zinc/36/55/00/823365500.db2.gz UZCIDYLLZCFJCO-CXAGYDPISA-N 1 1 379.382 4.002 20 0 GIADMO O=C(N[C@H]1CCc2ccc(-c3ccccc3)cc21)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000572586418 823365767 /nfs/dbraw/zinc/36/57/67/823365767.db2.gz RZOSQQFJUFDYDF-BJKOFHAPSA-N 1 1 398.510 4.092 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000572591853 823366465 /nfs/dbraw/zinc/36/64/65/823366465.db2.gz PBTPUJBTYBGNJI-QKLQHJQFSA-N 1 1 377.488 4.273 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000572591853 823366471 /nfs/dbraw/zinc/36/64/71/823366471.db2.gz PBTPUJBTYBGNJI-QKLQHJQFSA-N 1 1 377.488 4.273 20 0 GIADMO CCC(CC)[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000022755391 818856504 /nfs/dbraw/zinc/85/65/04/818856504.db2.gz MXCYLVFCJHFYFL-QHCPKHFHSA-N 1 1 394.559 4.072 20 0 GIADMO O=C(C[NH2+][C@H](CO)c1ccc(F)cc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000572609674 823368830 /nfs/dbraw/zinc/36/88/30/823368830.db2.gz YRAVQFRJSOVDKM-CQSZACIVSA-N 1 1 391.657 4.048 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000177092353 823369470 /nfs/dbraw/zinc/36/94/70/823369470.db2.gz KRVQMJBZQHBHSB-UHFFFAOYSA-N 1 1 391.540 4.212 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000177092353 823369476 /nfs/dbraw/zinc/36/94/76/823369476.db2.gz KRVQMJBZQHBHSB-UHFFFAOYSA-N 1 1 391.540 4.212 20 0 GIADMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc4c(c3)CCC4)c2C1 ZINC000189171548 823369609 /nfs/dbraw/zinc/36/96/09/823369609.db2.gz KGBCJBQZNYRGEV-INIZCTEOSA-N 1 1 391.515 4.113 20 0 GIADMO Cc1cccc(C[NH+]2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)c1 ZINC000022920075 818877167 /nfs/dbraw/zinc/87/71/67/818877167.db2.gz JXWIJBLSDIWFIE-UHFFFAOYSA-N 1 1 382.895 4.016 20 0 GIADMO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000022965809 818881021 /nfs/dbraw/zinc/88/10/21/818881021.db2.gz SVBPYEDNITZDEL-AWEZNQCLSA-N 1 1 382.401 4.024 20 0 GIADMO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000022965809 818881028 /nfs/dbraw/zinc/88/10/28/818881028.db2.gz SVBPYEDNITZDEL-AWEZNQCLSA-N 1 1 382.401 4.024 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1ccc(OC)c(OC)c1 ZINC000022972133 818881955 /nfs/dbraw/zinc/88/19/55/818881955.db2.gz FOXHJTBTDUDNOO-UHFFFAOYSA-N 1 1 384.520 4.462 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1ccc(OC)c(OC)c1 ZINC000022972133 818881961 /nfs/dbraw/zinc/88/19/61/818881961.db2.gz FOXHJTBTDUDNOO-UHFFFAOYSA-N 1 1 384.520 4.462 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000058274215 823373573 /nfs/dbraw/zinc/37/35/73/823373573.db2.gz LZNZBPRLOSLPKY-CYBMUJFWSA-N 1 1 375.365 4.075 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2cnn(-c3ccccc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000177110481 823373710 /nfs/dbraw/zinc/37/37/10/823373710.db2.gz CRNCFAUZUWSHSM-ICSRJNTNSA-N 1 1 389.503 4.047 20 0 GIADMO CCc1sc(-c2nnc(CN3CC[NH+](Cc4cccs4)CC3)o2)cc1C ZINC000023262588 818918101 /nfs/dbraw/zinc/91/81/01/818918101.db2.gz KKFAVAAKNOCGRO-UHFFFAOYSA-N 1 1 388.562 4.048 20 0 GIADMO CN(c1ccccc1CNCc1ccc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC000189190632 823372954 /nfs/dbraw/zinc/37/29/54/823372954.db2.gz XNFBQNVJZGCICN-UHFFFAOYSA-N 1 1 375.919 4.299 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000058276031 823374112 /nfs/dbraw/zinc/37/41/12/823374112.db2.gz BXLDLLUZCYGCEG-GOSISDBHSA-N 1 1 392.499 4.474 20 0 GIADMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000023355693 818927202 /nfs/dbraw/zinc/92/72/02/818927202.db2.gz YPWWCNJJPLVGOR-HNNXBMFYSA-N 1 1 378.488 4.256 20 0 GIADMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000023355693 818927208 /nfs/dbraw/zinc/92/72/08/818927208.db2.gz YPWWCNJJPLVGOR-HNNXBMFYSA-N 1 1 378.488 4.256 20 0 GIADMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000023389843 818932252 /nfs/dbraw/zinc/93/22/52/818932252.db2.gz KAPIQXGFNUSJQL-OAQYLSRUSA-N 1 1 399.531 4.067 20 0 GIADMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000023389841 818932452 /nfs/dbraw/zinc/93/24/52/818932452.db2.gz KAPIQXGFNUSJQL-NRFANRHFSA-N 1 1 399.531 4.067 20 0 GIADMO CC(C)c1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cnn1-c1cccc(Cl)c1 ZINC000177116203 823374844 /nfs/dbraw/zinc/37/48/44/823374844.db2.gz PNIZBALSPHVLQI-GOEBONIOSA-N 1 1 386.927 4.004 20 0 GIADMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000177117592 823375363 /nfs/dbraw/zinc/37/53/63/823375363.db2.gz PPXSMDCWPLRTMY-WIYYLYMNSA-N 1 1 390.487 4.219 20 0 GIADMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000177117592 823375369 /nfs/dbraw/zinc/37/53/69/823375369.db2.gz PPXSMDCWPLRTMY-WIYYLYMNSA-N 1 1 390.487 4.219 20 0 GIADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000410043998 823378574 /nfs/dbraw/zinc/37/85/74/823378574.db2.gz JHDJOJXJOPCJQI-UMVBOHGHSA-N 1 1 386.323 4.099 20 0 GIADMO Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000122581293 823376314 /nfs/dbraw/zinc/37/63/14/823376314.db2.gz OYSWMRXZYVDTIK-OAHLLOKOSA-N 1 1 375.900 4.154 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Nc2c(F)cc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000177121735 823376376 /nfs/dbraw/zinc/37/63/76/823376376.db2.gz JVHFDCHKQPGRJQ-CZUORRHYSA-N 1 1 377.410 4.279 20 0 GIADMO Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410042094 823377966 /nfs/dbraw/zinc/37/79/66/823377966.db2.gz CJGOAMOJHVSOPU-ZCNNSNEGSA-N 1 1 380.532 4.404 20 0 GIADMO Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410042094 823377972 /nfs/dbraw/zinc/37/79/72/823377972.db2.gz CJGOAMOJHVSOPU-ZCNNSNEGSA-N 1 1 380.532 4.404 20 0 GIADMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000023991776 819003379 /nfs/dbraw/zinc/00/33/79/819003379.db2.gz VELBDULUTJGKFO-INIZCTEOSA-N 1 1 383.492 4.006 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cs1)c1ccccc1F ZINC000189234889 823379560 /nfs/dbraw/zinc/37/95/60/823379560.db2.gz ADNXEBPWFJNOAD-QGZVFWFLSA-N 1 1 391.512 4.403 20 0 GIADMO COc1cccc(CNC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000024040670 819013434 /nfs/dbraw/zinc/01/34/34/819013434.db2.gz ROZZTVUSYBANHK-UHFFFAOYSA-N 1 1 395.547 4.188 20 0 GIADMO Cc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)cc1 ZINC000572672469 823379841 /nfs/dbraw/zinc/37/98/41/823379841.db2.gz IPRPDVIWNIRJLJ-HKUYNNGSSA-N 1 1 387.842 4.457 20 0 GIADMO O=C(c1ccc2ncsc2c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024179635 819030447 /nfs/dbraw/zinc/03/04/47/819030447.db2.gz WJZWBJLPYAYSJP-UHFFFAOYSA-N 1 1 387.508 4.408 20 0 GIADMO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000122610966 823381061 /nfs/dbraw/zinc/38/10/61/823381061.db2.gz JRIRIQCWBGDGCB-WCQYABFASA-N 1 1 378.822 4.187 20 0 GIADMO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000122610966 823381066 /nfs/dbraw/zinc/38/10/66/823381066.db2.gz JRIRIQCWBGDGCB-WCQYABFASA-N 1 1 378.822 4.187 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(C3CCC3)n2CCc2ccccc2)C[C@H]1C ZINC000460414460 823381216 /nfs/dbraw/zinc/38/12/16/823381216.db2.gz AWVCZWHTILKARG-NQIIRXRSSA-N 1 1 381.568 4.097 20 0 GIADMO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c(C)c1OC ZINC000572682539 823382058 /nfs/dbraw/zinc/38/20/58/823382058.db2.gz KGGWDENIGBWLSB-LJQANCHMSA-N 1 1 393.430 4.187 20 0 GIADMO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c(C)c1OC ZINC000572682539 823382064 /nfs/dbraw/zinc/38/20/64/823382064.db2.gz KGGWDENIGBWLSB-LJQANCHMSA-N 1 1 393.430 4.187 20 0 GIADMO Cc1nn2c(C[NH+]3CCC([C@H](F)c4ccccc4F)CC3)c(C)nc2s1 ZINC000572683087 823382339 /nfs/dbraw/zinc/38/23/39/823382339.db2.gz GKSRVHZPFALYFC-SFHVURJKSA-N 1 1 376.476 4.470 20 0 GIADMO Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000572689784 823383593 /nfs/dbraw/zinc/38/35/93/823383593.db2.gz MCKYEUXHPIHJOR-GOTSBHOMSA-N 1 1 399.542 4.114 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189294238 823388882 /nfs/dbraw/zinc/38/88/82/823388882.db2.gz ZDNZSLPTLPRFHC-UHFFFAOYSA-N 1 1 388.515 4.091 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189294238 823388888 /nfs/dbraw/zinc/38/88/88/823388888.db2.gz ZDNZSLPTLPRFHC-UHFFFAOYSA-N 1 1 388.515 4.091 20 0 GIADMO Cc1cc(C)n(CC[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000572747490 823392161 /nfs/dbraw/zinc/39/21/61/823392161.db2.gz PKOUYTBZGXJSBV-SFHVURJKSA-N 1 1 395.334 4.300 20 0 GIADMO Cc1cc(C)n(CC[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000572747490 823392167 /nfs/dbraw/zinc/39/21/67/823392167.db2.gz PKOUYTBZGXJSBV-SFHVURJKSA-N 1 1 395.334 4.300 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000177180477 823392784 /nfs/dbraw/zinc/39/27/84/823392784.db2.gz HUYSJNZEWCSYHR-UHFFFAOYSA-N 1 1 378.476 4.479 20 0 GIADMO Cc1ccccc1COc1cccc(CC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000122678449 823392879 /nfs/dbraw/zinc/39/28/79/823392879.db2.gz BROOQQFLMZVKKX-KNQAVFIVSA-N 1 1 380.532 4.058 20 0 GIADMO Cc1ccccc1COc1cccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000122678229 823392902 /nfs/dbraw/zinc/39/29/02/823392902.db2.gz BROOQQFLMZVKKX-DENIHFKCSA-N 1 1 380.532 4.058 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000189323041 823393983 /nfs/dbraw/zinc/39/39/83/823393983.db2.gz MXUCFTDKNVKJMB-UHFFFAOYSA-N 1 1 381.442 4.376 20 0 GIADMO O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000177182236 823393447 /nfs/dbraw/zinc/39/34/47/823393447.db2.gz XTRRIUYZNVSLJN-UHFFFAOYSA-N 1 1 376.460 4.055 20 0 GIADMO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000058425034 823389601 /nfs/dbraw/zinc/38/96/01/823389601.db2.gz XRKARLYIKBCQKZ-CALCHBBNSA-N 1 1 377.488 4.338 20 0 GIADMO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000058425034 823389608 /nfs/dbraw/zinc/38/96/08/823389608.db2.gz XRKARLYIKBCQKZ-CALCHBBNSA-N 1 1 377.488 4.338 20 0 GIADMO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4nnc(CC5CC5)n4C4CC4)C3)C2)cc1 ZINC000572729809 823389895 /nfs/dbraw/zinc/38/98/95/823389895.db2.gz QGADJPRMHHMSHK-XMMPIXPASA-N 1 1 391.563 4.058 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccoc3)n2CCc2ccccc2)C[C@@H]1C ZINC000460453313 823394385 /nfs/dbraw/zinc/39/43/85/823394385.db2.gz ILZWTCLJEXDPHK-RXVVDRJESA-N 1 1 393.535 4.090 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1CCC(F)(F)CC1 ZINC000410109918 823394488 /nfs/dbraw/zinc/39/44/88/823394488.db2.gz RTIGCIQIDOQCBG-LPHOPBHVSA-N 1 1 379.495 4.022 20 0 GIADMO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000572767233 823394957 /nfs/dbraw/zinc/39/49/57/823394957.db2.gz GUSJIGNEIMBDDI-LBPRGKRZSA-N 1 1 395.272 4.276 20 0 GIADMO C[C@@H](NCc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572767500 823395418 /nfs/dbraw/zinc/39/54/18/823395418.db2.gz OAZCCKBWYNKGIS-CRAIPNDOSA-N 1 1 378.438 4.411 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCc2ccc(F)cc2F)CC1 ZINC000122699561 823396866 /nfs/dbraw/zinc/39/68/66/823396866.db2.gz WXSBDHDAQWRRJK-UHFFFAOYSA-N 1 1 386.486 4.268 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000058474870 823396895 /nfs/dbraw/zinc/39/68/95/823396895.db2.gz VHTVYQVRMSXCHD-UHFFFAOYSA-N 1 1 390.865 4.468 20 0 GIADMO C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000572801272 823401462 /nfs/dbraw/zinc/40/14/62/823401462.db2.gz FFAOFJCEDYMWOA-AZOIQLNYSA-N 1 1 395.425 4.360 20 0 GIADMO C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000572801272 823401464 /nfs/dbraw/zinc/40/14/64/823401464.db2.gz FFAOFJCEDYMWOA-AZOIQLNYSA-N 1 1 395.425 4.360 20 0 GIADMO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000058525534 823403861 /nfs/dbraw/zinc/40/38/61/823403861.db2.gz GJMAESVGHJFOBS-WRALFONMSA-N 1 1 395.543 4.157 20 0 GIADMO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000410154658 823403920 /nfs/dbraw/zinc/40/39/20/823403920.db2.gz OVZZJGRTOBHHNH-AEFFLSMTSA-N 1 1 390.911 4.352 20 0 GIADMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000058525558 823403945 /nfs/dbraw/zinc/40/39/45/823403945.db2.gz BSVDMRHOJUZYTH-KRWDZBQOSA-N 1 1 383.517 4.446 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000572813588 823404230 /nfs/dbraw/zinc/40/42/30/823404230.db2.gz AQDWBGCCLUQUSD-NVXWUHKLSA-N 1 1 387.911 4.025 20 0 GIADMO Cc1cccc([C@H]2CCC[N@H+]2CCc2nc3sc4c(c3c(N)n2)CCCC4)n1 ZINC000572827721 823406400 /nfs/dbraw/zinc/40/64/00/823406400.db2.gz FTPBELHEDHEMCB-QGZVFWFLSA-N 1 1 393.560 4.235 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(OCc3cccc(Cl)c3)c2)CC[N@H+]1C ZINC000122761410 823407617 /nfs/dbraw/zinc/40/76/17/823407617.db2.gz FILFWWYKEKXKSG-OXQOHEQNSA-N 1 1 386.923 4.474 20 0 GIADMO Clc1cccc(Cl)c1-c1nnc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)o1 ZINC000572838568 823408158 /nfs/dbraw/zinc/40/81/58/823408158.db2.gz CODNQKHVWNYADT-WFASDCNBSA-N 1 1 382.291 4.434 20 0 GIADMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](C)Cc1csc2ccccc12 ZINC000058582318 823412421 /nfs/dbraw/zinc/41/24/21/823412421.db2.gz WCHYAKIABHIUQN-UHFFFAOYSA-N 1 1 380.513 4.321 20 0 GIADMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000058582318 823412426 /nfs/dbraw/zinc/41/24/26/823412426.db2.gz WCHYAKIABHIUQN-UHFFFAOYSA-N 1 1 380.513 4.321 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886181 823413912 /nfs/dbraw/zinc/41/39/12/823413912.db2.gz CLTAQXOORASOHD-AVRDEDQJSA-N 1 1 382.548 4.497 20 0 GIADMO COc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886181 823413916 /nfs/dbraw/zinc/41/39/16/823413916.db2.gz CLTAQXOORASOHD-AVRDEDQJSA-N 1 1 382.548 4.497 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)Cc2csc3ccccc23)c1 ZINC000058582213 823412576 /nfs/dbraw/zinc/41/25/76/823412576.db2.gz MOSITENHYJCPDQ-OAHLLOKOSA-N 1 1 398.528 4.228 20 0 GIADMO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)Cc2csc3ccccc23)c1 ZINC000058582213 823412579 /nfs/dbraw/zinc/41/25/79/823412579.db2.gz MOSITENHYJCPDQ-OAHLLOKOSA-N 1 1 398.528 4.228 20 0 GIADMO COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)c1OC ZINC000572886181 823413921 /nfs/dbraw/zinc/41/39/21/823413921.db2.gz CLTAQXOORASOHD-AVRDEDQJSA-N 1 1 382.548 4.497 20 0 GIADMO COc1cc(C[N@H+](C)Cc2ccc(Br)s2)cc(OC)c1OC ZINC000122792856 823413153 /nfs/dbraw/zinc/41/31/53/823413153.db2.gz BLZHVRLKXBLIIS-UHFFFAOYSA-N 1 1 386.311 4.168 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(Br)s2)cc(OC)c1OC ZINC000122792856 823413156 /nfs/dbraw/zinc/41/31/56/823413156.db2.gz BLZHVRLKXBLIIS-UHFFFAOYSA-N 1 1 386.311 4.168 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NCc2cc(OC)nc3ccccc23)cc1)C1CC1 ZINC000460511839 823413289 /nfs/dbraw/zinc/41/32/89/823413289.db2.gz YUDLUOQJIWDVAC-UHFFFAOYSA-N 1 1 389.499 4.158 20 0 GIADMO CSc1ccccc1[C@@H](C)NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000410170622 823409884 /nfs/dbraw/zinc/40/98/84/823409884.db2.gz KFFLJODVUGJFSC-MRXNPFEDSA-N 1 1 384.549 4.141 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3cc(F)cc(F)c3)cc2)C1 ZINC000410171950 823410274 /nfs/dbraw/zinc/41/02/74/823410274.db2.gz WZXCJIHLEUWLHU-INIZCTEOSA-N 1 1 387.474 4.196 20 0 GIADMO CCN(Cc1ccccn1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000177266512 823414677 /nfs/dbraw/zinc/41/46/77/823414677.db2.gz YAAHFINJWFCPPF-LJQANCHMSA-N 1 1 380.536 4.188 20 0 GIADMO Cc1cnc([C@H](NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C2CC2)s1 ZINC000122805958 823415766 /nfs/dbraw/zinc/41/57/66/823415766.db2.gz IRVLDZBWUFHHBZ-AUUYWEPGSA-N 1 1 395.532 4.457 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)C1 ZINC000122811974 823416460 /nfs/dbraw/zinc/41/64/60/823416460.db2.gz UXVBESQHHPXFDQ-HXUWFJFHSA-N 1 1 392.547 4.155 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000189443043 823417373 /nfs/dbraw/zinc/41/73/73/823417373.db2.gz VYYCPDBJJHDVHX-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC[N@H+]1C ZINC000460525225 823419361 /nfs/dbraw/zinc/41/93/61/823419361.db2.gz IHJGHUJERQFULB-UWWQBHOKSA-N 1 1 399.501 4.445 20 0 GIADMO CCCC1CCC(N(C)C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000189471214 823424394 /nfs/dbraw/zinc/42/43/94/823424394.db2.gz MYPLIQOMHBMDTD-UHFFFAOYSA-N 1 1 387.572 4.063 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nc(-c2ccccc2)no1 ZINC000189475282 823425022 /nfs/dbraw/zinc/42/50/22/823425022.db2.gz VZAHEAUJQOFPRF-USXIJHARSA-N 1 1 386.496 4.223 20 0 GIADMO CC(=O)N(c1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000572982187 823429631 /nfs/dbraw/zinc/42/96/31/823429631.db2.gz OAEJOEZSMVLJLC-OREJSRFESA-N 1 1 399.922 4.343 20 0 GIADMO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000122896011 823430721 /nfs/dbraw/zinc/43/07/21/823430721.db2.gz FVACWJJFAWXEPU-HOTGVXAUSA-N 1 1 386.542 4.323 20 0 GIADMO COc1ccccc1[C@@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000122899693 823431247 /nfs/dbraw/zinc/43/12/47/823431247.db2.gz OOUGENDXXBJYQU-JPYJTQIMSA-N 1 1 395.524 4.237 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cccc(OCCF)c1 ZINC000122913831 823433291 /nfs/dbraw/zinc/43/32/91/823433291.db2.gz JPBIGCXCIGXYRV-MRXNPFEDSA-N 1 1 391.512 4.130 20 0 GIADMO COC(=O)[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(F)cc1 ZINC000573012157 823433332 /nfs/dbraw/zinc/43/33/32/823433332.db2.gz BNKKDARXWVEZEM-VGOFRKELSA-N 1 1 384.495 4.204 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc2c(c1)CCC2 ZINC000024664409 819862119 /nfs/dbraw/zinc/86/21/19/819862119.db2.gz NDVBVLOFJJSDMX-GOSISDBHSA-N 1 1 375.472 4.135 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc2c(c1)CCC2 ZINC000024664409 819862132 /nfs/dbraw/zinc/86/21/32/819862132.db2.gz NDVBVLOFJJSDMX-GOSISDBHSA-N 1 1 375.472 4.135 20 0 GIADMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(N2CCC2=O)cc1 ZINC000410249501 823433892 /nfs/dbraw/zinc/43/38/92/823433892.db2.gz ITBJTMSRONDESF-UHFFFAOYSA-N 1 1 399.494 4.064 20 0 GIADMO COc1ccc(-c2cc(C[N@H+](C)Cc3cc(OC)c(OC)cc3C)on2)cc1 ZINC000024803561 819878983 /nfs/dbraw/zinc/87/89/83/819878983.db2.gz KVZRGRQQFQUOKA-UHFFFAOYSA-N 1 1 382.460 4.308 20 0 GIADMO COc1ccc(-c2cc(C[N@@H+](C)Cc3cc(OC)c(OC)cc3C)on2)cc1 ZINC000024803561 819878996 /nfs/dbraw/zinc/87/89/96/819878996.db2.gz KVZRGRQQFQUOKA-UHFFFAOYSA-N 1 1 382.460 4.308 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000024804460 819879170 /nfs/dbraw/zinc/87/91/70/819879170.db2.gz NOWPUXMSNDMBRF-KRWDZBQOSA-N 1 1 379.435 4.331 20 0 GIADMO COc1cc(C)c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000024806017 819879419 /nfs/dbraw/zinc/87/94/19/819879419.db2.gz LPRJJZHKQKQLAV-HNNXBMFYSA-N 1 1 390.911 4.433 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000024806017 819879428 /nfs/dbraw/zinc/87/94/28/819879428.db2.gz LPRJJZHKQKQLAV-HNNXBMFYSA-N 1 1 390.911 4.433 20 0 GIADMO CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024855742 819884485 /nfs/dbraw/zinc/88/44/85/819884485.db2.gz DJISFXMBJTVTMG-INIZCTEOSA-N 1 1 397.544 4.086 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccnc2-c2ccc(Cl)s2)C1 ZINC000189518436 823435873 /nfs/dbraw/zinc/43/58/73/823435873.db2.gz CGQPALCZVHDRJR-CYBMUJFWSA-N 1 1 378.929 4.269 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000177332392 823436475 /nfs/dbraw/zinc/43/64/75/823436475.db2.gz DVZJLJQXDSJQRL-QGZVFWFLSA-N 1 1 386.540 4.059 20 0 GIADMO CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025035136 819912450 /nfs/dbraw/zinc/91/24/50/819912450.db2.gz GVIQBGDEPQOLRE-CYBMUJFWSA-N 1 1 379.957 4.290 20 0 GIADMO COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025068077 819919253 /nfs/dbraw/zinc/91/92/53/819919253.db2.gz AQABSAHNEIMODV-CEXWTWQISA-N 1 1 396.531 4.104 20 0 GIADMO COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025068077 819919262 /nfs/dbraw/zinc/91/92/62/819919262.db2.gz AQABSAHNEIMODV-CEXWTWQISA-N 1 1 396.531 4.104 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000025083015 819922873 /nfs/dbraw/zinc/92/28/73/819922873.db2.gz VNYFSRVBJUJMFF-CEXWTWQISA-N 1 1 396.531 4.186 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000025083015 819922879 /nfs/dbraw/zinc/92/28/79/819922879.db2.gz VNYFSRVBJUJMFF-CEXWTWQISA-N 1 1 396.531 4.186 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1C(C)C ZINC000122963808 823440638 /nfs/dbraw/zinc/44/06/38/823440638.db2.gz XXJDCRDGVLMSJS-MRXNPFEDSA-N 1 1 387.549 4.278 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H](C)c1cccc(Cl)c1 ZINC000189540921 823440633 /nfs/dbraw/zinc/44/06/33/823440633.db2.gz HKNUZYPEEPPTJR-OAHLLOKOSA-N 1 1 387.911 4.363 20 0 GIADMO Cc1cc(C)cc(OCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000025185222 819940707 /nfs/dbraw/zinc/94/07/07/819940707.db2.gz FGNNUJFCEIQDEY-UHFFFAOYSA-N 1 1 378.516 4.239 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](CCOc2ccc(Cl)cc2Cl)C2CC2)cc1 ZINC000025189909 819940765 /nfs/dbraw/zinc/94/07/65/819940765.db2.gz AJQJTNMPPUHRDW-UHFFFAOYSA-N 1 1 393.314 4.396 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](CCCOc2ccc(F)cc2)C2CC2)cc1 ZINC000025185380 819940854 /nfs/dbraw/zinc/94/08/54/819940854.db2.gz SDHUTKZBQTYEBS-UHFFFAOYSA-N 1 1 382.479 4.151 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000025233417 819947843 /nfs/dbraw/zinc/94/78/43/819947843.db2.gz PEMWOZQXVMOUOS-LBPRGKRZSA-N 1 1 397.327 4.475 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000025233417 819947851 /nfs/dbraw/zinc/94/78/51/819947851.db2.gz PEMWOZQXVMOUOS-LBPRGKRZSA-N 1 1 397.327 4.475 20 0 GIADMO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)Cc2nc3ccccc3s2)c(OC)c1 ZINC000025233466 819948008 /nfs/dbraw/zinc/94/80/08/819948008.db2.gz GWLRXSBJZNLSEM-BBOMDTFKSA-N 1 1 398.528 4.210 20 0 GIADMO C/C=C/c1ccc(OC[C@H](O)C[N@@H+](C)Cc2nc3ccccc3s2)c(OC)c1 ZINC000025233466 819948012 /nfs/dbraw/zinc/94/80/12/819948012.db2.gz GWLRXSBJZNLSEM-BBOMDTFKSA-N 1 1 398.528 4.210 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000573053267 823440920 /nfs/dbraw/zinc/44/09/20/823440920.db2.gz NVVVUKCIVRJVHR-OAHLLOKOSA-N 1 1 377.916 4.164 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)c3ccncc3OC)c2)cc1 ZINC000189550430 823442016 /nfs/dbraw/zinc/44/20/16/823442016.db2.gz XFGCDOQVUUSSQM-INIZCTEOSA-N 1 1 391.471 4.202 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C2CC2)C2CCC(CC)CC2)[C@@H](C)C1 ZINC000410279527 823446333 /nfs/dbraw/zinc/44/63/33/823446333.db2.gz OUMOXRDDHZHBPY-HKEJHHQYSA-N 1 1 393.616 4.266 20 0 GIADMO Cc1nc2cc(F)ccc2cc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025463758 819986020 /nfs/dbraw/zinc/98/60/20/819986020.db2.gz HUKZZKWEKARXAP-UHFFFAOYSA-N 1 1 391.490 4.249 20 0 GIADMO C[C@H](Oc1ccccc1Cl)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025465172 819986638 /nfs/dbraw/zinc/98/66/38/819986638.db2.gz KNPHPUBQGWZEKH-INIZCTEOSA-N 1 1 386.923 4.060 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2C(F)(F)F)[C@@H]1c1ccccc1 ZINC000189557971 823443694 /nfs/dbraw/zinc/44/36/94/823443694.db2.gz MAEBPHGQTCNQHE-SJORKVTESA-N 1 1 381.373 4.411 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)cc1OC ZINC000025532944 819998256 /nfs/dbraw/zinc/99/82/56/819998256.db2.gz ZEQDWVWAHMDZNF-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1OC ZINC000025532944 819998263 /nfs/dbraw/zinc/99/82/63/819998263.db2.gz ZEQDWVWAHMDZNF-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO Cc1oc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1C1CC1 ZINC000573077566 823444660 /nfs/dbraw/zinc/44/46/60/823444660.db2.gz FLOHXEUESLHRSF-GOSISDBHSA-N 1 1 382.508 4.283 20 0 GIADMO O=C(NCCc1ccc(F)c(F)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000189563279 823444813 /nfs/dbraw/zinc/44/48/13/823444813.db2.gz AZGHIIOTEKGWAR-IHWFROFDSA-N 1 1 399.485 4.002 20 0 GIADMO Cc1ncsc1C[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000573079236 823444929 /nfs/dbraw/zinc/44/49/29/823444929.db2.gz SWIFRTQVKVSJIB-HNNXBMFYSA-N 1 1 378.847 4.073 20 0 GIADMO Cc1ncsc1C[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000573079236 823444932 /nfs/dbraw/zinc/44/49/32/823444932.db2.gz SWIFRTQVKVSJIB-HNNXBMFYSA-N 1 1 378.847 4.073 20 0 GIADMO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CSc2ccc(Br)cc21 ZINC000573082249 823445190 /nfs/dbraw/zinc/44/51/90/823445190.db2.gz BNYHBUOVSCHMDA-ZBEGNZNMSA-N 1 1 378.339 4.109 20 0 GIADMO Cc1ccc(CNC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)cc1F ZINC000025699063 820015579 /nfs/dbraw/zinc/01/55/79/820015579.db2.gz RDBOGZRGXSGKJS-OAQYLSRUSA-N 1 1 386.467 4.330 20 0 GIADMO CCOCc1nnc(N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1CC(C)C ZINC000460592717 823448039 /nfs/dbraw/zinc/44/80/39/823448039.db2.gz VDDOSYCUWACKSJ-FPOVZHCZSA-N 1 1 399.583 4.132 20 0 GIADMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000025944185 820042889 /nfs/dbraw/zinc/04/28/89/820042889.db2.gz KJDCTCQRQMSZGH-UHFFFAOYSA-N 1 1 394.544 4.282 20 0 GIADMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000025944185 820042895 /nfs/dbraw/zinc/04/28/95/820042895.db2.gz KJDCTCQRQMSZGH-UHFFFAOYSA-N 1 1 394.544 4.282 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000025987921 820046980 /nfs/dbraw/zinc/04/69/80/820046980.db2.gz ONXXLVVIFVOGFM-UHFFFAOYSA-N 1 1 391.437 4.041 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1C(C)C ZINC000573109609 823449098 /nfs/dbraw/zinc/44/90/98/823449098.db2.gz XZFYQEWSBOKGFL-QGZVFWFLSA-N 1 1 389.927 4.335 20 0 GIADMO O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000026115123 820059819 /nfs/dbraw/zinc/05/98/19/820059819.db2.gz UTAAZTSPMYTSLM-FQEVSTJZSA-N 1 1 392.421 4.090 20 0 GIADMO O[C@@H](c1ccccc1)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000026118850 820061028 /nfs/dbraw/zinc/06/10/28/820061028.db2.gz VCUPPIYDJIITPU-FQEVSTJZSA-N 1 1 383.879 4.336 20 0 GIADMO COc1ccc([C@@H](C)NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1F ZINC000026165274 820065447 /nfs/dbraw/zinc/06/54/47/820065447.db2.gz SIXKQSUEGXDHSV-MRXNPFEDSA-N 1 1 399.510 4.031 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1c(F)cccc1Cl ZINC000177398875 823453383 /nfs/dbraw/zinc/45/33/83/823453383.db2.gz PSNMNIITALNMEA-QWHCGFSZSA-N 1 1 384.904 4.141 20 0 GIADMO C[C@]([NH2+]Cc1cccc(C(F)(F)F)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177381174 823449942 /nfs/dbraw/zinc/44/99/42/823449942.db2.gz YIEUKJTWCCDAMX-MRXNPFEDSA-N 1 1 390.327 4.215 20 0 GIADMO C[C@H](CNC(=O)N(C)Cc1ccc2ccccc2c1)[N@H+]1CCc2ccccc2C1 ZINC000026175556 820067023 /nfs/dbraw/zinc/06/70/23/820067023.db2.gz NFEWZMXVUNEVEY-LJQANCHMSA-N 1 1 387.527 4.428 20 0 GIADMO CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000026205858 820069240 /nfs/dbraw/zinc/06/92/40/820069240.db2.gz KVXTWVAKLUBOSR-CYBMUJFWSA-N 1 1 380.460 4.469 20 0 GIADMO CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000026205858 820069248 /nfs/dbraw/zinc/06/92/48/820069248.db2.gz KVXTWVAKLUBOSR-CYBMUJFWSA-N 1 1 380.460 4.469 20 0 GIADMO COc1ccccc1-n1cnn(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1=S ZINC000026237561 820072961 /nfs/dbraw/zinc/07/29/61/820072961.db2.gz OWSDDSMEKAFHLL-SFHVURJKSA-N 1 1 380.517 4.076 20 0 GIADMO COc1ccccc1-n1cnn(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1=S ZINC000026237561 820072973 /nfs/dbraw/zinc/07/29/73/820072973.db2.gz OWSDDSMEKAFHLL-SFHVURJKSA-N 1 1 380.517 4.076 20 0 GIADMO CCn1c(=S)n(C[N@@H+]2CCC[C@H]2Cc2ccccc2)nc1-c1ccncc1 ZINC000026236830 820073156 /nfs/dbraw/zinc/07/31/56/820073156.db2.gz SMNVAAPKXJCKMF-IBGZPJMESA-N 1 1 379.533 4.161 20 0 GIADMO CCn1c(=S)n(C[N@H+]2CCC[C@H]2Cc2ccccc2)nc1-c1ccncc1 ZINC000026236830 820073160 /nfs/dbraw/zinc/07/31/60/820073160.db2.gz SMNVAAPKXJCKMF-IBGZPJMESA-N 1 1 379.533 4.161 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(F)cc1Br ZINC000026259338 820076391 /nfs/dbraw/zinc/07/63/91/820076391.db2.gz NXNGHYHBLWWYDL-ZDUSSCGKSA-N 1 1 389.272 4.362 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000026259338 820076399 /nfs/dbraw/zinc/07/63/99/820076399.db2.gz NXNGHYHBLWWYDL-ZDUSSCGKSA-N 1 1 389.272 4.362 20 0 GIADMO C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1c[nH]c2ccccc21 ZINC000573128137 823450878 /nfs/dbraw/zinc/45/08/78/823450878.db2.gz CETIQRGVMWAOAL-JBYIUTFZSA-N 1 1 375.516 4.441 20 0 GIADMO C[C@@H](c1ccc(NC(=O)Nc2cccc3ccn(C)c32)cc1)[NH+]1CCOCC1 ZINC000189581341 823450963 /nfs/dbraw/zinc/45/09/63/823450963.db2.gz UIKGMIRXEWNZHB-INIZCTEOSA-N 1 1 378.476 4.216 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+]CC3(N(C)C)CCCCC3)c2)cc1 ZINC000026308121 820080984 /nfs/dbraw/zinc/08/09/84/820080984.db2.gz RIFWWGBHAPBVLK-UHFFFAOYSA-N 1 1 395.547 4.302 20 0 GIADMO COc1ccc(C2(C(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)CCCC2)cc1 ZINC000058795097 823453562 /nfs/dbraw/zinc/45/35/62/823453562.db2.gz DWZYOIQKYDXGBX-LJQANCHMSA-N 1 1 392.543 4.070 20 0 GIADMO CCOc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000026454605 820100070 /nfs/dbraw/zinc/10/00/70/820100070.db2.gz OZYBJNJEOXILEL-HNNXBMFYSA-N 1 1 392.446 4.454 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000026454605 820100078 /nfs/dbraw/zinc/10/00/78/820100078.db2.gz OZYBJNJEOXILEL-HNNXBMFYSA-N 1 1 392.446 4.454 20 0 GIADMO CCOc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2)ccc1OC(F)F ZINC000026454432 820100209 /nfs/dbraw/zinc/10/02/09/820100209.db2.gz DQOQNDSVLRQWFF-CQSZACIVSA-N 1 1 378.419 4.146 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2)ccc1OC(F)F ZINC000026454432 820100215 /nfs/dbraw/zinc/10/02/15/820100215.db2.gz DQOQNDSVLRQWFF-CQSZACIVSA-N 1 1 378.419 4.146 20 0 GIADMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](C)C1)c1ccccc1 ZINC000573142663 823454538 /nfs/dbraw/zinc/45/45/38/823454538.db2.gz FIUMTYRJOIWREK-KAGYGMCKSA-N 1 1 389.486 4.439 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)c(C)c1 ZINC000026641718 820127369 /nfs/dbraw/zinc/12/73/69/820127369.db2.gz HYATUUKDJCTRNK-HSZRJFAPSA-N 1 1 390.527 4.218 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000573170490 823459351 /nfs/dbraw/zinc/45/93/51/823459351.db2.gz KHACYLVEJQFOJI-LJQANCHMSA-N 1 1 385.895 4.284 20 0 GIADMO CC(C)Cn1ncc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1C(F)F ZINC000123070771 823456802 /nfs/dbraw/zinc/45/68/02/823456802.db2.gz GQVDLGADIPRDJH-MRXNPFEDSA-N 1 1 388.462 4.102 20 0 GIADMO C[C@H](NC(=O)C[N@H+](Cc1cccs1)C1CC1)c1ccc(Br)cc1 ZINC000027108181 820195055 /nfs/dbraw/zinc/19/50/55/820195055.db2.gz DZBJZIOXXQTTNS-ZDUSSCGKSA-N 1 1 393.350 4.352 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](Cc1cccs1)C1CC1)c1ccc(Br)cc1 ZINC000027108181 820195062 /nfs/dbraw/zinc/19/50/62/820195062.db2.gz DZBJZIOXXQTTNS-ZDUSSCGKSA-N 1 1 393.350 4.352 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)Nc1ccc(Oc2ccccc2)cc1 ZINC000573177088 823461145 /nfs/dbraw/zinc/46/11/45/823461145.db2.gz WPQQDXIPDLIBBW-BHDDXSALSA-N 1 1 380.488 4.043 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1ccc(Oc2ccccc2)cc1 ZINC000573177087 823461235 /nfs/dbraw/zinc/46/12/35/823461235.db2.gz WPQQDXIPDLIBBW-BDTNDASRSA-N 1 1 380.488 4.043 20 0 GIADMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1)c1ccccc1 ZINC000027237382 820214187 /nfs/dbraw/zinc/21/41/87/820214187.db2.gz GXAYDZMVRKPIQT-HXUWFJFHSA-N 1 1 397.906 4.130 20 0 GIADMO Clc1ccc(OC[C@@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)cc1 ZINC000027237615 820214494 /nfs/dbraw/zinc/21/44/94/820214494.db2.gz ZSRUQWDVFBELTR-HNNXBMFYSA-N 1 1 375.881 4.495 20 0 GIADMO Clc1ccc(OC[C@@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)cc1 ZINC000027237615 820214502 /nfs/dbraw/zinc/21/45/02/820214502.db2.gz ZSRUQWDVFBELTR-HNNXBMFYSA-N 1 1 375.881 4.495 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000027347822 820229194 /nfs/dbraw/zinc/22/91/94/820229194.db2.gz NMWMHXNAKWYWRX-KRWDZBQOSA-N 1 1 384.829 4.320 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2cnc3ccccc3c2)CC1 ZINC000410329873 823465138 /nfs/dbraw/zinc/46/51/38/823465138.db2.gz KEATVZCRNTVPSZ-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cnc3ccccc3c2)CC1 ZINC000410329873 823465144 /nfs/dbraw/zinc/46/51/44/823465144.db2.gz KEATVZCRNTVPSZ-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1sc2ccccc2c1Cl ZINC000027362296 820231423 /nfs/dbraw/zinc/23/14/23/820231423.db2.gz YJDFEYPMWQCHAQ-LBPRGKRZSA-N 1 1 394.949 4.395 20 0 GIADMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1sc2ccccc2c1Cl ZINC000027362296 820231428 /nfs/dbraw/zinc/23/14/28/820231428.db2.gz YJDFEYPMWQCHAQ-LBPRGKRZSA-N 1 1 394.949 4.395 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000460645444 823465277 /nfs/dbraw/zinc/46/52/77/823465277.db2.gz FQIBNRIAJVPJLZ-BBRMVZONSA-N 1 1 377.426 4.239 20 0 GIADMO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000410326551 823464102 /nfs/dbraw/zinc/46/41/02/823464102.db2.gz FNMUOHIRTNGMPC-CABCVRRESA-N 1 1 392.952 4.040 20 0 GIADMO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000410326551 823464104 /nfs/dbraw/zinc/46/41/04/823464104.db2.gz FNMUOHIRTNGMPC-CABCVRRESA-N 1 1 392.952 4.040 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)c2C1 ZINC000189637318 823464221 /nfs/dbraw/zinc/46/42/21/823464221.db2.gz PXLJLYJZIXHNOH-UHFFFAOYSA-N 1 1 399.491 4.282 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3coc(CNC(=O)OC(C)(C)C)c3)c2C1 ZINC000189637318 823464225 /nfs/dbraw/zinc/46/42/25/823464225.db2.gz PXLJLYJZIXHNOH-UHFFFAOYSA-N 1 1 399.491 4.282 20 0 GIADMO COc1ccc2nc(C)c(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2c1 ZINC000027500449 820254260 /nfs/dbraw/zinc/25/42/60/820254260.db2.gz WIQLYEAMFUVUOO-NRFANRHFSA-N 1 1 393.487 4.102 20 0 GIADMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000027506725 820254838 /nfs/dbraw/zinc/25/48/38/820254838.db2.gz CUXAAHISSVFYGX-CQSZACIVSA-N 1 1 393.472 4.391 20 0 GIADMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cc(F)ccc1F ZINC000027574146 820261824 /nfs/dbraw/zinc/26/18/24/820261824.db2.gz GLLLAJGSNBABPN-UHFFFAOYSA-N 1 1 388.414 4.077 20 0 GIADMO Cc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000027700980 820277883 /nfs/dbraw/zinc/27/78/83/820277883.db2.gz DUFZVBFEKOURAX-OAHLLOKOSA-N 1 1 391.309 4.095 20 0 GIADMO Cc1ccccc1OCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Br ZINC000027700980 820277890 /nfs/dbraw/zinc/27/78/90/820277890.db2.gz DUFZVBFEKOURAX-OAHLLOKOSA-N 1 1 391.309 4.095 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCc2sc(Cl)cc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460650284 823466784 /nfs/dbraw/zinc/46/67/84/823466784.db2.gz CFNQPYPKTVBRMI-WOSRLPQWSA-N 1 1 381.973 4.341 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCc2ccccc2)cc1 ZINC000410341615 823467621 /nfs/dbraw/zinc/46/76/21/823467621.db2.gz XOLHGJSZENEMGX-FQEVSTJZSA-N 1 1 379.548 4.445 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](Cc2ccccc2)C(C)C)cc1OC ZINC000027931477 820298196 /nfs/dbraw/zinc/29/81/96/820298196.db2.gz ZTNZBSVRYDKPPJ-OAQYLSRUSA-N 1 1 396.531 4.278 20 0 GIADMO COc1ccc2c(c1)C[N@@H+](Cc1cc(=O)n3ccccc3n1)[C@@H](c1ccccc1)C2 ZINC000177461756 823468085 /nfs/dbraw/zinc/46/80/85/823468085.db2.gz BTPQHJSPWJZCJO-HSZRJFAPSA-N 1 1 397.478 4.003 20 0 GIADMO COc1ccc2c(c1)C[N@H+](Cc1cc(=O)n3ccccc3n1)[C@@H](c1ccccc1)C2 ZINC000177461756 823468089 /nfs/dbraw/zinc/46/80/89/823468089.db2.gz BTPQHJSPWJZCJO-HSZRJFAPSA-N 1 1 397.478 4.003 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N(C)CCCn3cc[nH+]c3C)c2)cc1 ZINC000123136521 823468345 /nfs/dbraw/zinc/46/83/45/823468345.db2.gz MQCPHQLBLFBVKX-UHFFFAOYSA-N 1 1 398.532 4.160 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N[C@@H](CO)c1ccccc1)C1CCCCC1 ZINC000123140615 823468907 /nfs/dbraw/zinc/46/89/07/823468907.db2.gz ZCOGXJGMMTZNPH-QFIPXVFZSA-N 1 1 381.520 4.306 20 0 GIADMO Clc1cccc(-c2nc(C[NH+]3CCC(OC[C@H]4CCCO4)CC3)co2)c1 ZINC000177467635 823469133 /nfs/dbraw/zinc/46/91/33/823469133.db2.gz VUOPTUYYIDXJKX-LJQANCHMSA-N 1 1 376.884 4.155 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C2CC2)cc1 ZINC000028280991 820322357 /nfs/dbraw/zinc/32/23/57/820322357.db2.gz GTLWRQNKCGOCQY-GGAORHGYSA-N 1 1 382.479 4.239 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)C2CC2)cc1 ZINC000028280991 820322367 /nfs/dbraw/zinc/32/23/67/820322367.db2.gz GTLWRQNKCGOCQY-GGAORHGYSA-N 1 1 382.479 4.239 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccccc2N(C)C)cc1 ZINC000410348113 823469793 /nfs/dbraw/zinc/46/97/93/823469793.db2.gz UUTZHDQCODUBTQ-SFHVURJKSA-N 1 1 380.536 4.449 20 0 GIADMO COc1ccc([C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000028353731 820328573 /nfs/dbraw/zinc/32/85/73/820328573.db2.gz GPMPEHKFGHNRNV-HSZRJFAPSA-N 1 1 395.547 4.140 20 0 GIADMO CC[C@@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1)C1CCC(C)CC1 ZINC000460666330 823471600 /nfs/dbraw/zinc/47/16/00/823471600.db2.gz DSUHKEDVKHUCIZ-RRIIRSAJSA-N 1 1 399.579 4.175 20 0 GIADMO CC[C@@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCC(C)CC1 ZINC000460666328 823471648 /nfs/dbraw/zinc/47/16/48/823471648.db2.gz DSUHKEDVKHUCIZ-OWQMCBFZSA-N 1 1 399.579 4.175 20 0 GIADMO C[C@H](CCCC(F)(F)F)NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460681937 823477209 /nfs/dbraw/zinc/47/72/09/823477209.db2.gz TWBLZUZJGKDGAX-BHIYHBOVSA-N 1 1 397.485 4.271 20 0 GIADMO C[C@@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410357295 823472860 /nfs/dbraw/zinc/47/28/60/823472860.db2.gz DGMPIZWUMOQWQG-OALUTQOASA-N 1 1 383.536 4.475 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177485006 823473332 /nfs/dbraw/zinc/47/33/32/823473332.db2.gz WIBCUIQUOVPFFP-OAHLLOKOSA-N 1 1 394.943 4.347 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1cnn(-c2ccccc2)c1 ZINC000028901169 820370034 /nfs/dbraw/zinc/37/00/34/820370034.db2.gz PTYXOKULPIQHNV-UHFFFAOYSA-N 1 1 384.483 4.486 20 0 GIADMO COC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000410369361 823477343 /nfs/dbraw/zinc/47/73/43/823477343.db2.gz DSIJPVAXIGCIRD-QGZVFWFLSA-N 1 1 395.503 4.169 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)C1 ZINC000058948733 823474290 /nfs/dbraw/zinc/47/42/90/823474290.db2.gz OMLMMMXUQPBNFN-ZHRRBRCNSA-N 1 1 398.934 4.192 20 0 GIADMO COc1ccc2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)c(C)nc2c1 ZINC000029050041 820387314 /nfs/dbraw/zinc/38/73/14/820387314.db2.gz MNLVYZVPHNZUOF-OAQYLSRUSA-N 1 1 397.906 4.238 20 0 GIADMO COc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000410371234 823478272 /nfs/dbraw/zinc/47/82/72/823478272.db2.gz CSXAGTFSGHLHSP-KRWDZBQOSA-N 1 1 397.519 4.400 20 0 GIADMO Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029290551 820429780 /nfs/dbraw/zinc/42/97/80/820429780.db2.gz IMGATYBTNOOHLT-HNNXBMFYSA-N 1 1 385.489 4.262 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccccc3N(C)C)cc2)C1 ZINC000410374494 823479674 /nfs/dbraw/zinc/47/96/74/823479674.db2.gz ZLSKRPGKFZDWSQ-SFHVURJKSA-N 1 1 380.536 4.306 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(Oc3ccccn3)c2)[C@@H]1c1ccccc1 ZINC000189708255 823480086 /nfs/dbraw/zinc/48/00/86/823480086.db2.gz JWZHDQZLUAONIE-IRLDBZIGSA-N 1 1 388.471 4.441 20 0 GIADMO C[C@@H]1CCSCCN1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189711961 823480455 /nfs/dbraw/zinc/48/04/55/823480455.db2.gz GVXIREGQQYAAHO-DDUZABMNSA-N 1 1 399.963 4.009 20 0 GIADMO Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000029504326 820464960 /nfs/dbraw/zinc/46/49/60/820464960.db2.gz NWIYDYFJAOQRHG-NRFANRHFSA-N 1 1 396.922 4.175 20 0 GIADMO COCC[N@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)Cc1ccccc1 ZINC000029596434 820481084 /nfs/dbraw/zinc/48/10/84/820481084.db2.gz TXWWHNGVVGPUQT-LJQANCHMSA-N 1 1 376.500 4.166 20 0 GIADMO COCC[N@@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)Cc1ccccc1 ZINC000029596434 820481093 /nfs/dbraw/zinc/48/10/93/820481093.db2.gz TXWWHNGVVGPUQT-LJQANCHMSA-N 1 1 376.500 4.166 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000573347604 823482629 /nfs/dbraw/zinc/48/26/29/823482629.db2.gz CCXXQJIVHRUWHC-UZLBHIALSA-N 1 1 375.900 4.169 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000573347604 823482631 /nfs/dbraw/zinc/48/26/31/823482631.db2.gz CCXXQJIVHRUWHC-UZLBHIALSA-N 1 1 375.900 4.169 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(CC(F)(F)F)C3CCCC3)cc2)C[C@H](C)O1 ZINC000177531980 823484037 /nfs/dbraw/zinc/48/40/37/823484037.db2.gz WFJVFPGXCOYSNH-HOTGVXAUSA-N 1 1 398.469 4.243 20 0 GIADMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccccc1 ZINC000059037360 823484179 /nfs/dbraw/zinc/48/41/79/823484179.db2.gz JDJPJLGIQUKHQD-QGZVFWFLSA-N 1 1 394.544 4.232 20 0 GIADMO C[N@H+](Cc1cnc2ccccc2c1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000410391092 823484314 /nfs/dbraw/zinc/48/43/14/823484314.db2.gz HBLCIOWWKJNDNK-GOSISDBHSA-N 1 1 390.405 4.125 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccco1 ZINC000059054839 823484551 /nfs/dbraw/zinc/48/45/51/823484551.db2.gz BYWFJOHJVMSLGT-QGZVFWFLSA-N 1 1 384.411 4.030 20 0 GIADMO C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410393258 823484858 /nfs/dbraw/zinc/48/48/58/823484858.db2.gz OXXIVANAUZDPDH-RBUKOAKNSA-N 1 1 380.536 4.006 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(Cc2cccnc2)C2CC2)cc1 ZINC000123252518 823485548 /nfs/dbraw/zinc/48/55/48/823485548.db2.gz ARCRGNDBUZUCCS-MRXNPFEDSA-N 1 1 375.476 4.011 20 0 GIADMO O=c1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c2ccc(O)cc2o1 ZINC000029825409 820525626 /nfs/dbraw/zinc/52/56/26/820525626.db2.gz DCJMDWURIJJKLB-CQSZACIVSA-N 1 1 376.412 4.019 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccccc3OC3CC3)C2)s1 ZINC000573378684 823486347 /nfs/dbraw/zinc/48/63/47/823486347.db2.gz SJSFBYTXDMUAMM-KRWDZBQOSA-N 1 1 384.545 4.192 20 0 GIADMO Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830800 820528173 /nfs/dbraw/zinc/52/81/73/820528173.db2.gz ILKYEOPEWDCAPN-UYAOXDASSA-N 1 1 391.515 4.063 20 0 GIADMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccccc1 ZINC000029843742 820531426 /nfs/dbraw/zinc/53/14/26/820531426.db2.gz UYUKWKLTAPJNMI-GOSISDBHSA-N 1 1 391.515 4.053 20 0 GIADMO FC(F)(F)c1ccc(C[NH+]2CCN(Cc3nc4ccccc4o3)CC2)cc1 ZINC000029846377 820531499 /nfs/dbraw/zinc/53/14/99/820531499.db2.gz LOVNDKFOPRMCCO-UHFFFAOYSA-N 1 1 375.394 4.164 20 0 GIADMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2Cl)ccc1OC(F)F ZINC000029849453 820532597 /nfs/dbraw/zinc/53/25/97/820532597.db2.gz MYCCZHKVOVKEBW-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Cl)ccc1OC(F)F ZINC000029849453 820532601 /nfs/dbraw/zinc/53/26/01/820532601.db2.gz MYCCZHKVOVKEBW-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO Clc1ccc(-c2ncc(C[N@H+]3CCOCC4(CCOCC4)C3)s2)cc1 ZINC000573391400 823487385 /nfs/dbraw/zinc/48/73/85/823487385.db2.gz HMBCLOHLXCAEKT-UHFFFAOYSA-N 1 1 378.925 4.093 20 0 GIADMO CC[C@@H](CNC(=O)c1oc2ccccc2c1COC)[N@H+]1CCc2ccccc2C1 ZINC000029908392 820546030 /nfs/dbraw/zinc/54/60/30/820546030.db2.gz VUQQJZATVMVUQO-IBGZPJMESA-N 1 1 392.499 4.146 20 0 GIADMO CC[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000029909479 820546205 /nfs/dbraw/zinc/54/62/05/820546205.db2.gz OBIZCEOKNXHNAK-HXUWFJFHSA-N 1 1 390.449 4.201 20 0 GIADMO CC[C@H](CNC(=O)c1nc(-c2ccccc2)oc1C)[N@H+]1CCc2ccccc2C1 ZINC000029908912 820546226 /nfs/dbraw/zinc/54/62/26/820546226.db2.gz ZJRIMIXDOTVAEP-OAQYLSRUSA-N 1 1 389.499 4.217 20 0 GIADMO Cc1cc(Br)c2c(c1)C[N@H+](Cc1cn(C)nc1-c1ccncc1)CC2 ZINC000189753617 823488426 /nfs/dbraw/zinc/48/84/26/823488426.db2.gz MPZWBCZFFOUMPS-UHFFFAOYSA-N 1 1 397.320 4.111 20 0 GIADMO Cc1cc(Br)c2c(c1)C[N@@H+](Cc1cn(C)nc1-c1ccncc1)CC2 ZINC000189753617 823488433 /nfs/dbraw/zinc/48/84/33/823488433.db2.gz MPZWBCZFFOUMPS-UHFFFAOYSA-N 1 1 397.320 4.111 20 0 GIADMO C[C@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)[N@H+]1CCC[C@H](C)C1 ZINC000460724225 823495345 /nfs/dbraw/zinc/49/53/45/823495345.db2.gz ZHQNZGADPPIHLV-JKSUJKDBSA-N 1 1 382.470 4.364 20 0 GIADMO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(Br)o1 ZINC000030217443 820588259 /nfs/dbraw/zinc/58/82/59/820588259.db2.gz BQSIYZKEYIUCKJ-KRWDZBQOSA-N 1 1 391.309 4.058 20 0 GIADMO COc1ccccc1COC[C@@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000059375246 823494329 /nfs/dbraw/zinc/49/43/29/823494329.db2.gz MOBJZDSAAMPJPT-SFHVURJKSA-N 1 1 384.303 4.012 20 0 GIADMO C[N@@H+](CCCOc1ccc(F)cc1)CCC(=O)Nc1ccc(Cl)cc1F ZINC000030268737 820593493 /nfs/dbraw/zinc/59/34/93/820593493.db2.gz AQLKGQSTWWZMOY-UHFFFAOYSA-N 1 1 382.838 4.348 20 0 GIADMO COc1ccc2ccccc2c1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123318802 823495477 /nfs/dbraw/zinc/49/54/77/823495477.db2.gz GRUCOGVWCZBZLM-XMSQKQJNSA-N 1 1 393.531 4.007 20 0 GIADMO O=C(CCc1ccc(Cl)cc1Cl)NCC[N@H+]1CCc2ccccc2C1 ZINC000030317335 820600075 /nfs/dbraw/zinc/60/00/75/820600075.db2.gz YNUFLGOHSWLWEK-UHFFFAOYSA-N 1 1 377.315 4.101 20 0 GIADMO C[C@@H](C1CC1)n1cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000189770967 823491532 /nfs/dbraw/zinc/49/15/32/823491532.db2.gz YPQFWNRVJAQVDH-FGSXEWAUSA-N 1 1 395.551 4.371 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000410419033 823491633 /nfs/dbraw/zinc/49/16/33/823491633.db2.gz FSDCCMVMDDJKRE-KRWDZBQOSA-N 1 1 380.879 4.134 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1nnnn1C1CCCCC1 ZINC000189772710 823491849 /nfs/dbraw/zinc/49/18/49/823491849.db2.gz ICUVNZJUMBUEFX-MOPGFXCFSA-N 1 1 396.583 4.261 20 0 GIADMO Brc1ccc(-c2ccc(C[NH2+]Cc3nnc4n3CCC4)s2)cc1 ZINC000030652381 820659179 /nfs/dbraw/zinc/65/91/79/820659179.db2.gz NRHIHWJCWWHOEY-UHFFFAOYSA-N 1 1 389.322 4.005 20 0 GIADMO CC(C)C[C@H](CNCc1cn(Cc2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC000030663798 820661534 /nfs/dbraw/zinc/66/15/34/820661534.db2.gz JAVOFERESFSZHQ-HSZRJFAPSA-N 1 1 391.563 4.059 20 0 GIADMO COc1cc(CCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1Cl ZINC000123351053 823500243 /nfs/dbraw/zinc/50/02/43/823500243.db2.gz IIRZYGXRFFMEED-HKUYNNGSSA-N 1 1 392.971 4.394 20 0 GIADMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cn1cc[nH+]c1C ZINC000030696561 820666778 /nfs/dbraw/zinc/66/67/78/820666778.db2.gz ZGALEJZYVCKCAG-UHFFFAOYSA-N 1 1 383.473 4.044 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1 ZINC000123328332 823496971 /nfs/dbraw/zinc/49/69/71/823496971.db2.gz ZZWMONXVMJYBCX-AWEZNQCLSA-N 1 1 396.441 4.288 20 0 GIADMO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)Nc4ccc(Cl)cn4)CC3)oc21 ZINC000189801911 823497101 /nfs/dbraw/zinc/49/71/01/823497101.db2.gz JJPATYZTQJZZFR-CQSZACIVSA-N 1 1 398.894 4.391 20 0 GIADMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000059746758 823498105 /nfs/dbraw/zinc/49/81/05/823498105.db2.gz OLBXREJUEFFWMU-QFIPXVFZSA-N 1 1 398.503 4.074 20 0 GIADMO COc1ncccc1C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000030901358 820705149 /nfs/dbraw/zinc/70/51/49/820705149.db2.gz VXIJHJPTZWIHSF-UHFFFAOYSA-N 1 1 381.863 4.286 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccnc(Oc2ccccc2)c1 ZINC000030901741 820705170 /nfs/dbraw/zinc/70/51/70/820705170.db2.gz JPIQFMPZJBPYOO-UHFFFAOYSA-N 1 1 380.444 4.190 20 0 GIADMO COc1ncccc1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000030901376 820705408 /nfs/dbraw/zinc/70/54/08/820705408.db2.gz WXZYBTXTECMOLD-UHFFFAOYSA-N 1 1 381.863 4.286 20 0 GIADMO O=C(Nc1cccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1)c1ccccc1Cl ZINC000030907103 820706917 /nfs/dbraw/zinc/70/69/17/820706917.db2.gz PMQOLDUXWCEFDQ-QGZVFWFLSA-N 1 1 383.923 4.166 20 0 GIADMO O=C(Nc1cccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c1)c1ccccc1Cl ZINC000030907103 820706923 /nfs/dbraw/zinc/70/69/23/820706923.db2.gz PMQOLDUXWCEFDQ-QGZVFWFLSA-N 1 1 383.923 4.166 20 0 GIADMO Fc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000030907130 820707009 /nfs/dbraw/zinc/70/70/09/820707009.db2.gz CBBDWXBHLXBSDI-GOSISDBHSA-N 1 1 390.506 4.252 20 0 GIADMO Fc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000030907130 820707018 /nfs/dbraw/zinc/70/70/18/820707018.db2.gz CBBDWXBHLXBSDI-GOSISDBHSA-N 1 1 390.506 4.252 20 0 GIADMO CCN(C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@H](C)c1cccnc1 ZINC000123341599 823498954 /nfs/dbraw/zinc/49/89/54/823498954.db2.gz SQTUYNKLQFBGLQ-DLBZAZTESA-N 1 1 377.492 4.429 20 0 GIADMO COc1ccc(Br)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177597575 823498994 /nfs/dbraw/zinc/49/89/94/823498994.db2.gz JQDSGLDBNFSYQJ-GOSISDBHSA-N 1 1 398.341 4.008 20 0 GIADMO Fc1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)ccc1Br ZINC000177600033 823499154 /nfs/dbraw/zinc/49/91/54/823499154.db2.gz WHLFNTGARKISCH-MRXNPFEDSA-N 1 1 386.305 4.138 20 0 GIADMO CCCN(C[C@@H]1CCCCO1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123345489 823499695 /nfs/dbraw/zinc/49/96/95/823499695.db2.gz QLTNKNCHJTZUFF-UTKZUKDTSA-N 1 1 384.524 4.232 20 0 GIADMO COc1ccc2[nH]c(C(=O)Nc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2c1 ZINC000189839087 823504526 /nfs/dbraw/zinc/50/45/26/823504526.db2.gz BDMXSCFOKUWSHT-HOTGVXAUSA-N 1 1 393.487 4.038 20 0 GIADMO C[C@@H]1C[C@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000123392455 823504966 /nfs/dbraw/zinc/50/49/66/823504966.db2.gz VISZRXVLMUBBJR-CXAGYDPISA-N 1 1 378.314 4.019 20 0 GIADMO CN(C)c1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000177613026 823501136 /nfs/dbraw/zinc/50/11/36/823501136.db2.gz BZXVHQILBLKFTN-AWEZNQCLSA-N 1 1 383.458 4.365 20 0 GIADMO CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000059951298 823503585 /nfs/dbraw/zinc/50/35/85/823503585.db2.gz RPYKKZSFBJPGHZ-HSZRJFAPSA-N 1 1 391.559 4.157 20 0 GIADMO COc1ccc([C@@H]([NH2+]CC(=O)NC2CCC(C)CC2)c2ccc(F)cc2)cc1 ZINC000060089222 823507301 /nfs/dbraw/zinc/50/73/01/823507301.db2.gz MAWNHWHFMINBNM-JCJCGPQSSA-N 1 1 384.495 4.208 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c2C(C)C)cc1 ZINC000060091572 823507515 /nfs/dbraw/zinc/50/75/15/823507515.db2.gz JCCDOJJQLYLQMM-LJQANCHMSA-N 1 1 382.552 4.298 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031566218 820827307 /nfs/dbraw/zinc/82/73/07/820827307.db2.gz NMNLZNASMKCKHT-HXUWFJFHSA-N 1 1 375.472 4.044 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031566859 820827497 /nfs/dbraw/zinc/82/74/97/820827497.db2.gz TWWSLEBMQRCITL-HXUWFJFHSA-N 1 1 375.472 4.044 20 0 GIADMO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000177657719 823509087 /nfs/dbraw/zinc/50/90/87/823509087.db2.gz GHFFFFCSQZIZTL-KGLIPLIRSA-N 1 1 390.915 4.432 20 0 GIADMO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000177657719 823509089 /nfs/dbraw/zinc/50/90/89/823509089.db2.gz GHFFFFCSQZIZTL-KGLIPLIRSA-N 1 1 390.915 4.432 20 0 GIADMO O=c1c2c(-c3ccccc3)csc2ncn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000031689866 820845998 /nfs/dbraw/zinc/84/59/98/820845998.db2.gz GMLIXOMCTAQXSP-UHFFFAOYSA-N 1 1 398.491 4.418 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2csc(Br)c2)CC1 ZINC000031765306 820856429 /nfs/dbraw/zinc/85/64/29/820856429.db2.gz XFNSKQGJQLFAJK-UHFFFAOYSA-N 1 1 393.350 4.167 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1 ZINC000031766352 820857180 /nfs/dbraw/zinc/85/71/80/820857180.db2.gz BVUCAUXRJJDBQH-UHFFFAOYSA-N 1 1 384.495 4.026 20 0 GIADMO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000060159716 823510521 /nfs/dbraw/zinc/51/05/21/823510521.db2.gz XHPIPDHWFMBFQB-LJQANCHMSA-N 1 1 386.923 4.056 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000123453333 823510591 /nfs/dbraw/zinc/51/05/91/823510591.db2.gz UOTJVILAWZDVRJ-KKSFZXQISA-N 1 1 380.467 4.056 20 0 GIADMO CCOC1CC(CC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)C1 ZINC000189906597 823512421 /nfs/dbraw/zinc/51/24/21/823512421.db2.gz OYDNETCANYDSES-UHFFFAOYSA-N 1 1 390.527 4.106 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000031963815 820881098 /nfs/dbraw/zinc/88/10/98/820881098.db2.gz FDVIVGAGHXFYAD-HNNXBMFYSA-N 1 1 393.556 4.019 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000031963815 820881106 /nfs/dbraw/zinc/88/11/06/820881106.db2.gz FDVIVGAGHXFYAD-HNNXBMFYSA-N 1 1 393.556 4.019 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(-c3nc[nH]n3)ccc2F)cc1 ZINC000410794290 823514229 /nfs/dbraw/zinc/51/42/29/823514229.db2.gz WWUPWYJSHGIOLK-UHFFFAOYSA-N 1 1 381.455 4.095 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C(c1ccccc1)c1ccccc1 ZINC000032398873 820933279 /nfs/dbraw/zinc/93/32/79/820933279.db2.gz JPSROANRCIONNA-UHFFFAOYSA-N 1 1 384.523 4.383 20 0 GIADMO O=C(c1coc(Br)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000032413551 820937686 /nfs/dbraw/zinc/93/76/86/820937686.db2.gz AHONTZNSDLJMLK-UHFFFAOYSA-N 1 1 399.288 4.153 20 0 GIADMO C[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)[N@@H+]1CCc2sccc2C1 ZINC000032428812 820941821 /nfs/dbraw/zinc/94/18/21/820941821.db2.gz AAIXGCSHRQKOMS-CQSZACIVSA-N 1 1 384.476 4.324 20 0 GIADMO C[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)[N@H+]1CCc2sccc2C1 ZINC000032428812 820941828 /nfs/dbraw/zinc/94/18/28/820941828.db2.gz AAIXGCSHRQKOMS-CQSZACIVSA-N 1 1 384.476 4.324 20 0 GIADMO C[C@H](CNC(=O)c1ccc(SC(F)F)cc1)[N@@H+]1CCc2sccc2C1 ZINC000032429276 820942637 /nfs/dbraw/zinc/94/26/37/820942637.db2.gz SWDQLEUGRPLPHO-GFCCVEGCSA-N 1 1 382.501 4.239 20 0 GIADMO C[C@H](CNC(=O)c1ccc(SC(F)F)cc1)[N@H+]1CCc2sccc2C1 ZINC000032429276 820942642 /nfs/dbraw/zinc/94/26/42/820942642.db2.gz SWDQLEUGRPLPHO-GFCCVEGCSA-N 1 1 382.501 4.239 20 0 GIADMO CC[C@@H](CNC(=O)c1oc2ccc(F)cc2c1C)[N@H+]1CCc2ccccc2C1 ZINC000032446801 820945673 /nfs/dbraw/zinc/94/56/73/820945673.db2.gz DNLZRJISTUHNLD-IBGZPJMESA-N 1 1 380.463 4.447 20 0 GIADMO CC(C)C(=O)N1CCC[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000123516807 823516440 /nfs/dbraw/zinc/51/64/40/823516440.db2.gz GXUYROMVQNUUTJ-UHFFFAOYSA-N 1 1 383.517 4.247 20 0 GIADMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000123516807 823516445 /nfs/dbraw/zinc/51/64/45/823516445.db2.gz GXUYROMVQNUUTJ-UHFFFAOYSA-N 1 1 383.517 4.247 20 0 GIADMO CCCCC1CCC(C(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000060336407 823516495 /nfs/dbraw/zinc/51/64/95/823516495.db2.gz KROBPAKEERZVBG-GZNCHQMQSA-N 1 1 399.579 4.319 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1 ZINC000032499446 820961400 /nfs/dbraw/zinc/96/14/00/820961400.db2.gz LETPKUAKQSHMEW-UHFFFAOYSA-N 1 1 375.516 4.143 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2NC(=O)c2ccsc2)C1 ZINC000060341887 823517440 /nfs/dbraw/zinc/51/74/40/823517440.db2.gz ZLACTDPPWBIYIN-MRXNPFEDSA-N 1 1 399.560 4.241 20 0 GIADMO O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000060355542 823519052 /nfs/dbraw/zinc/51/90/52/823519052.db2.gz QUHSRKACJYKIMO-MRXNPFEDSA-N 1 1 378.850 4.147 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1sc(C)nc1-c1ccccc1)[NH+](C)C ZINC000032694459 820992934 /nfs/dbraw/zinc/99/29/34/820992934.db2.gz MMQWMDMFSBSLBR-SFHVURJKSA-N 1 1 395.528 4.160 20 0 GIADMO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000189997371 823523740 /nfs/dbraw/zinc/52/37/40/823523740.db2.gz MFPKPWNEYIUESW-GFCCVEGCSA-N 1 1 394.302 4.032 20 0 GIADMO C[C@@H]1C[N@H+](CC2CCN(Cc3csc(C4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000060368408 823520521 /nfs/dbraw/zinc/52/05/21/823520521.db2.gz CEDGNBIAFPVZLS-CALCHBBNSA-N 1 1 377.598 4.122 20 0 GIADMO C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCCC[C@@H]1C ZINC000032735086 821001177 /nfs/dbraw/zinc/00/11/77/821001177.db2.gz QUJCVOPGDYTRTB-HOTGVXAUSA-N 1 1 389.927 4.307 20 0 GIADMO COc1ccccc1-c1cccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000123584277 823523767 /nfs/dbraw/zinc/52/37/67/823523767.db2.gz ZWNJXQZCYHQJOB-GOSISDBHSA-N 1 1 381.520 4.462 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000177753882 823520818 /nfs/dbraw/zinc/52/08/18/823520818.db2.gz YNVLAQFCQIEVCD-MSOLQXFVSA-N 1 1 384.455 4.104 20 0 GIADMO O=C(Nc1ccccc1)c1cccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123584803 823523780 /nfs/dbraw/zinc/52/37/80/823523780.db2.gz SKOUSUDKANZPSF-FGZHOGPDSA-N 1 1 396.556 4.425 20 0 GIADMO Clc1c(Br)cccc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000411402729 823570606 /nfs/dbraw/zinc/57/06/06/823570606.db2.gz UUGZINNQBBWGPY-CYBMUJFWSA-N 1 1 395.732 4.409 20 0 GIADMO Clc1c(Br)cccc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000411402729 823570607 /nfs/dbraw/zinc/57/06/07/823570607.db2.gz UUGZINNQBBWGPY-CYBMUJFWSA-N 1 1 395.732 4.409 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000060395110 823523354 /nfs/dbraw/zinc/52/33/54/823523354.db2.gz XPXMAWJIPKXEFU-UHFFFAOYSA-N 1 1 389.540 4.226 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000177768816 823523537 /nfs/dbraw/zinc/52/35/37/823523537.db2.gz RVLVIHFZVYDRPB-UXHICEINSA-N 1 1 383.492 4.087 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1cc(Cl)ccc1Br ZINC000177816971 823529987 /nfs/dbraw/zinc/52/99/87/823529987.db2.gz MPGNLPHFQSBIBQ-CVEARBPZSA-N 1 1 399.760 4.120 20 0 GIADMO C[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CCCCC1 ZINC000036207613 821069967 /nfs/dbraw/zinc/06/99/67/821069967.db2.gz RCZDOINAJZAXKT-HNNXBMFYSA-N 1 1 397.544 4.167 20 0 GIADMO CC(C)[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cccnc1 ZINC000177812164 823529109 /nfs/dbraw/zinc/52/91/09/823529109.db2.gz ZNTXVYKFTRSBOC-FQEVSTJZSA-N 1 1 398.576 4.192 20 0 GIADMO C[C@@H](Oc1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000036694538 821076386 /nfs/dbraw/zinc/07/63/86/821076386.db2.gz ZCYAOGHLUCYTTE-QRWLVFNGSA-N 1 1 390.886 4.200 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000036700507 821077273 /nfs/dbraw/zinc/07/72/73/821077273.db2.gz GVPAFXZPJKALIK-SFHVURJKSA-N 1 1 383.879 4.336 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(Br)ccc1F ZINC000036732597 821079694 /nfs/dbraw/zinc/07/96/94/821079694.db2.gz GWVKURZXJALBPU-MRXNPFEDSA-N 1 1 395.272 4.138 20 0 GIADMO CC(C)c1ccc(NC(=S)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000038229638 821095022 /nfs/dbraw/zinc/09/50/22/821095022.db2.gz RWYNDAQSQZQLGM-UHFFFAOYSA-N 1 1 383.561 4.129 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000177782582 823525617 /nfs/dbraw/zinc/52/56/17/823525617.db2.gz NPHUTUFWXYAWCS-PKTZIBPZSA-N 1 1 392.547 4.414 20 0 GIADMO C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1nc(-c2cccc(F)c2)no1 ZINC000190039697 823529708 /nfs/dbraw/zinc/52/97/08/823529708.db2.gz XGEYDAZALUQVBG-FTRWYGJKSA-N 1 1 380.467 4.362 20 0 GIADMO C[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000039297328 821105224 /nfs/dbraw/zinc/10/52/24/821105224.db2.gz HDURRUQRXNEENZ-LJQANCHMSA-N 1 1 390.527 4.108 20 0 GIADMO CC(C)c1[nH+]ccn1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000123623790 823526832 /nfs/dbraw/zinc/52/68/32/823526832.db2.gz PMXPAOAOGUGNIG-UHFFFAOYSA-N 1 1 397.500 4.073 20 0 GIADMO CC[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1c(C)noc1C ZINC000123622967 823526888 /nfs/dbraw/zinc/52/68/88/823526888.db2.gz ZDOUZFNARPZMHC-IPELMVKDSA-N 1 1 376.545 4.039 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1cc2ccccc2o1 ZINC000177823447 823531214 /nfs/dbraw/zinc/53/12/14/823531214.db2.gz ZPKZQOBZMCUNCJ-KRWDZBQOSA-N 1 1 398.528 4.458 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccc(OC(F)F)cc2)C2CC2)cc1 ZINC000060467254 823531522 /nfs/dbraw/zinc/53/15/22/823531522.db2.gz OXTCCCVYEGJDMQ-UHFFFAOYSA-N 1 1 386.442 4.345 20 0 GIADMO COc1ccc(C)cc1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000060475130 823532129 /nfs/dbraw/zinc/53/21/29/823532129.db2.gz KMCLZOOPYAVESL-LJQANCHMSA-N 1 1 380.532 4.094 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCOc1cccc(F)c1 ZINC000060475359 823532401 /nfs/dbraw/zinc/53/24/01/823532401.db2.gz ODDAHROTQDQIQR-GOSISDBHSA-N 1 1 384.495 4.285 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)c1 ZINC000060479261 823532806 /nfs/dbraw/zinc/53/28/06/823532806.db2.gz OSQXRCNHCSJKOM-IBGZPJMESA-N 1 1 387.321 4.488 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)c1 ZINC000060479261 823532807 /nfs/dbraw/zinc/53/28/07/823532807.db2.gz OSQXRCNHCSJKOM-IBGZPJMESA-N 1 1 387.321 4.488 20 0 GIADMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cn1nc(-c2ccncc2)n(C)c1=S ZINC000123705492 823533258 /nfs/dbraw/zinc/53/32/58/823533258.db2.gz APAICZIRPBXUGM-INIZCTEOSA-N 1 1 379.533 4.271 20 0 GIADMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cn1nc(-c2ccncc2)n(C)c1=S ZINC000123705492 823533261 /nfs/dbraw/zinc/53/32/61/823533261.db2.gz APAICZIRPBXUGM-INIZCTEOSA-N 1 1 379.533 4.271 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 ZINC000123712200 823534201 /nfs/dbraw/zinc/53/42/01/823534201.db2.gz SHECDVVLSJEXHK-GOSISDBHSA-N 1 1 389.499 4.015 20 0 GIADMO CCC[N@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)CC1CCCCC1 ZINC000060495589 823534434 /nfs/dbraw/zinc/53/44/34/823534434.db2.gz WVFHYGMPCJXECM-UHFFFAOYSA-N 1 1 387.568 4.399 20 0 GIADMO O=C(CCC(=O)c1cccs1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400542 821188888 /nfs/dbraw/zinc/18/88/88/821188888.db2.gz MXLUDZNIWLBEDL-QGZVFWFLSA-N 1 1 390.936 4.318 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000177843738 823535079 /nfs/dbraw/zinc/53/50/79/823535079.db2.gz PCHGUFWNBFMVAV-UWJYYQICSA-N 1 1 385.939 4.413 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000060547578 823540856 /nfs/dbraw/zinc/54/08/56/823540856.db2.gz ZOBWYXYMVPUOMI-NRFANRHFSA-N 1 1 383.511 4.431 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1c[nH]c2ccccc12 ZINC000123745809 823536802 /nfs/dbraw/zinc/53/68/02/823536802.db2.gz BVKNZBOVWLOVFD-NRFANRHFSA-N 1 1 390.531 4.009 20 0 GIADMO CC(C)=CCSc1ccccc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123748465 823537021 /nfs/dbraw/zinc/53/70/21/823537021.db2.gz KVWBDKVTPKXKNL-KDURUIRLSA-N 1 1 390.593 4.364 20 0 GIADMO Cc1ccsc1CNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000041949667 821249184 /nfs/dbraw/zinc/24/91/84/821249184.db2.gz AFQHSEDKSXKSPE-UHFFFAOYSA-N 1 1 399.560 4.076 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000177875341 823539698 /nfs/dbraw/zinc/53/96/98/823539698.db2.gz RZJXTIKTQFOIOC-WOJBJXKFSA-N 1 1 386.927 4.193 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000177879650 823540416 /nfs/dbraw/zinc/54/04/16/823540416.db2.gz YRUMSSMTQGAGOV-SJORKVTESA-N 1 1 375.488 4.238 20 0 GIADMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123783478 823540504 /nfs/dbraw/zinc/54/05/04/823540504.db2.gz GDTWAEGREBEENR-KGLIPLIRSA-N 1 1 385.414 4.313 20 0 GIADMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132487 821271913 /nfs/dbraw/zinc/27/19/13/821271913.db2.gz RDJDMGRLLXWKFP-WMZOPIPTSA-N 1 1 395.478 4.366 20 0 GIADMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000042132438 821271993 /nfs/dbraw/zinc/27/19/93/821271993.db2.gz GBPPEZXWZOTELZ-HBFSDRIKSA-N 1 1 381.520 4.188 20 0 GIADMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123783478 823540506 /nfs/dbraw/zinc/54/05/06/823540506.db2.gz GDTWAEGREBEENR-KGLIPLIRSA-N 1 1 385.414 4.313 20 0 GIADMO O=C(CC[N@@H+]1CCO[C@H](c2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000177881864 823540659 /nfs/dbraw/zinc/54/06/59/823540659.db2.gz QAMYBSKNMVCFSB-SFHVURJKSA-N 1 1 378.394 4.108 20 0 GIADMO O=C(CC[N@H+]1CCO[C@H](c2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000177881864 823540660 /nfs/dbraw/zinc/54/06/60/823540660.db2.gz QAMYBSKNMVCFSB-SFHVURJKSA-N 1 1 378.394 4.108 20 0 GIADMO CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000042148023 821274513 /nfs/dbraw/zinc/27/45/13/821274513.db2.gz DIXCCHFTZSOZEB-AWEZNQCLSA-N 1 1 378.467 4.071 20 0 GIADMO Cc1cc(C[NH2+][C@H](C)c2nnc3ccccn32)cc(C)c1OCc1ccccn1 ZINC000042187257 821281409 /nfs/dbraw/zinc/28/14/09/821281409.db2.gz GHZSXRIWBBKFFN-GOSISDBHSA-N 1 1 387.487 4.171 20 0 GIADMO COc1cc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)ccn1 ZINC000042208390 821284332 /nfs/dbraw/zinc/28/43/32/821284332.db2.gz HTJYTKXKCJCWML-UHFFFAOYSA-N 1 1 391.302 4.240 20 0 GIADMO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]Cc1ccnn1C ZINC000042228461 821288590 /nfs/dbraw/zinc/28/85/90/821288590.db2.gz LDGJVQKJCJRBBR-UHFFFAOYSA-N 1 1 398.725 4.223 20 0 GIADMO CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000042635004 821316592 /nfs/dbraw/zinc/31/65/92/821316592.db2.gz RGUCXRLOFMOWRB-DNQXCXABSA-N 1 1 398.522 4.085 20 0 GIADMO COc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)co2)cc1 ZINC000042754462 821330738 /nfs/dbraw/zinc/33/07/38/821330738.db2.gz DBDJMBDTJRPGAI-INIZCTEOSA-N 1 1 389.459 4.124 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)co2)cc1 ZINC000042754462 821330748 /nfs/dbraw/zinc/33/07/48/821330748.db2.gz DBDJMBDTJRPGAI-INIZCTEOSA-N 1 1 389.459 4.124 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000042841202 821336646 /nfs/dbraw/zinc/33/66/46/821336646.db2.gz NTIUWMDAMLFFRC-UHFFFAOYSA-N 1 1 392.459 4.105 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1coc(-c2ccccc2)n1 ZINC000043086552 821359354 /nfs/dbraw/zinc/35/93/54/821359354.db2.gz HVYSQIGHHHXAFY-UHFFFAOYSA-N 1 1 377.488 4.041 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(SC)c3)CC2)cc1 ZINC000043157258 821369983 /nfs/dbraw/zinc/36/99/83/821369983.db2.gz OHMVYUJPFWMWFP-UHFFFAOYSA-N 1 1 385.533 4.157 20 0 GIADMO Cn1cc([C@H](NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c2cccc(F)c2)cn1 ZINC000180629338 821375076 /nfs/dbraw/zinc/37/50/76/821375076.db2.gz NFILNNRHIIEBBO-YHYVQYDKSA-N 1 1 398.551 4.383 20 0 GIADMO CC[C@@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000180634918 821377017 /nfs/dbraw/zinc/37/70/17/821377017.db2.gz UVVJGRKVIFCYOG-LJQANCHMSA-N 1 1 380.444 4.362 20 0 GIADMO CC(C)c1ccc([C@@H](NC(=O)C2CC[NH+](Cc3nccn3C)CC2)C(C)C)cc1 ZINC000043269324 821384039 /nfs/dbraw/zinc/38/40/39/821384039.db2.gz MRDZUAYKFYVJPX-QHCPKHFHSA-N 1 1 396.579 4.269 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000043272821 821384534 /nfs/dbraw/zinc/38/45/34/821384534.db2.gz IFTJOQFVANAGQS-CQSZACIVSA-N 1 1 380.883 4.000 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000043272821 821384539 /nfs/dbraw/zinc/38/45/39/821384539.db2.gz IFTJOQFVANAGQS-CQSZACIVSA-N 1 1 380.883 4.000 20 0 GIADMO Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000180677746 821392637 /nfs/dbraw/zinc/39/26/37/821392637.db2.gz NWYPUEIZRXCGPW-NPMABZOXSA-N 1 1 396.350 4.394 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000043495275 821417627 /nfs/dbraw/zinc/41/76/27/821417627.db2.gz RCYYEIZAOJRKGM-KRWDZBQOSA-N 1 1 398.576 4.225 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000043495275 821417634 /nfs/dbraw/zinc/41/76/34/821417634.db2.gz RCYYEIZAOJRKGM-KRWDZBQOSA-N 1 1 398.576 4.225 20 0 GIADMO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000180739039 821426489 /nfs/dbraw/zinc/42/64/89/821426489.db2.gz IZMJRQIDWVLYMA-GOSISDBHSA-N 1 1 385.577 4.496 20 0 GIADMO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1Br ZINC000180739335 821427043 /nfs/dbraw/zinc/42/70/43/821427043.db2.gz IGHJQGMSIXOTNN-MRXNPFEDSA-N 1 1 381.358 4.135 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)Cc1ccc(F)cc1F ZINC000043631077 821432493 /nfs/dbraw/zinc/43/24/93/821432493.db2.gz FHZQVBCWBJITCT-UHFFFAOYSA-N 1 1 398.457 4.228 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749423 821433075 /nfs/dbraw/zinc/43/30/75/821433075.db2.gz NSJQABLIBUIDAZ-CTNGQTDRSA-N 1 1 389.902 4.147 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749423 821433079 /nfs/dbraw/zinc/43/30/79/821433079.db2.gz NSJQABLIBUIDAZ-CTNGQTDRSA-N 1 1 389.902 4.147 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000043653672 821436597 /nfs/dbraw/zinc/43/65/97/821436597.db2.gz NZYDPOMYKMKPLD-UHFFFAOYSA-N 1 1 394.519 4.118 20 0 GIADMO CCC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccccc2Br)C1 ZINC000180779949 821452942 /nfs/dbraw/zinc/45/29/42/821452942.db2.gz FPURQGMLZIBHSB-OXQOHEQNSA-N 1 1 387.321 4.139 20 0 GIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3nc(Cl)ccc3Cl)CC2)cc1 ZINC000043810438 821462559 /nfs/dbraw/zinc/46/25/59/821462559.db2.gz KOSINCZROCEHGI-UHFFFAOYSA-N 1 1 378.303 4.045 20 0 GIADMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180798808 821464748 /nfs/dbraw/zinc/46/47/48/821464748.db2.gz GDPLRHSRTQYDOE-SFHVURJKSA-N 1 1 389.425 4.233 20 0 GIADMO CCCc1cnc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)s1 ZINC000180805971 821468800 /nfs/dbraw/zinc/46/88/00/821468800.db2.gz RYVZLTGLTWWMMT-QGZVFWFLSA-N 1 1 387.553 4.009 20 0 GIADMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(OCc4ccc(F)cc4)c3)[C@@H]2C1 ZINC000180817687 821477727 /nfs/dbraw/zinc/47/77/27/821477727.db2.gz UXRWZWUHAGGKEX-YMPZKCBVSA-N 1 1 385.479 4.173 20 0 GIADMO CNC(=O)c1cccc(C[N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)c1 ZINC000180877687 821508721 /nfs/dbraw/zinc/50/87/21/821508721.db2.gz CYUCNGBVCNUQGG-UHFFFAOYSA-N 1 1 383.542 4.098 20 0 GIADMO CNC(=O)c1cccc(C[N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)c1 ZINC000180877687 821508723 /nfs/dbraw/zinc/50/87/23/821508723.db2.gz CYUCNGBVCNUQGG-UHFFFAOYSA-N 1 1 383.542 4.098 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000180922783 821539806 /nfs/dbraw/zinc/53/98/06/821539806.db2.gz QJDZGFOJIFWQQK-FXAWDEMLSA-N 1 1 383.540 4.155 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000044186625 821542223 /nfs/dbraw/zinc/54/22/23/821542223.db2.gz MSBFLNBSXQYAHJ-IBGZPJMESA-N 1 1 396.560 4.018 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000180927566 821542952 /nfs/dbraw/zinc/54/29/52/821542952.db2.gz SIVZJNUXXVGDHP-LJQANCHMSA-N 1 1 383.540 4.014 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180929250 821543250 /nfs/dbraw/zinc/54/32/50/821543250.db2.gz DKBLLKQUNLIEIF-INIZCTEOSA-N 1 1 390.959 4.014 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180929250 821543258 /nfs/dbraw/zinc/54/32/58/821543258.db2.gz DKBLLKQUNLIEIF-INIZCTEOSA-N 1 1 390.959 4.014 20 0 GIADMO C[C@@H](CCO)[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000180974969 821567352 /nfs/dbraw/zinc/56/73/52/821567352.db2.gz JCHCOHUEUCBYOE-AWEZNQCLSA-N 1 1 381.303 4.205 20 0 GIADMO C[C@@H](CCO)[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000180974969 821567359 /nfs/dbraw/zinc/56/73/59/821567359.db2.gz JCHCOHUEUCBYOE-AWEZNQCLSA-N 1 1 381.303 4.205 20 0 GIADMO Cc1cc(C(=O)C[N@H+](Cc2ccccc2)[C@H](C)CCO)c(C)n1CC(F)(F)F ZINC000180986348 821575896 /nfs/dbraw/zinc/57/58/96/821575896.db2.gz FGVBWQVCCWBAGS-OAHLLOKOSA-N 1 1 396.453 4.123 20 0 GIADMO Cc1cc(C(=O)C[N@@H+](Cc2ccccc2)[C@H](C)CCO)c(C)n1CC(F)(F)F ZINC000180986348 821575901 /nfs/dbraw/zinc/57/59/01/821575901.db2.gz FGVBWQVCCWBAGS-OAHLLOKOSA-N 1 1 396.453 4.123 20 0 GIADMO C[N@@H+](CCCn1ccnc1)Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000181091283 821627990 /nfs/dbraw/zinc/62/79/90/821627990.db2.gz VYPQTCUOJOEZLE-UHFFFAOYSA-N 1 1 385.924 4.435 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000044831119 821669437 /nfs/dbraw/zinc/66/94/37/821669437.db2.gz ZHQCRJXXXPFUPC-KRWDZBQOSA-N 1 1 395.503 4.196 20 0 GIADMO Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nn1C(C)(C)C ZINC000044836195 821670820 /nfs/dbraw/zinc/67/08/20/821670820.db2.gz NTWXQTJRRVFASK-LJQANCHMSA-N 1 1 388.943 4.167 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(Br)c2Cl)c1 ZINC000181173488 821677670 /nfs/dbraw/zinc/67/76/70/821677670.db2.gz LCTYHKDLFIDGPJ-UHFFFAOYSA-N 1 1 391.656 4.244 20 0 GIADMO COc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)C ZINC000044905229 821678910 /nfs/dbraw/zinc/67/89/10/821678910.db2.gz XWKQRTJHNJIYEG-NRFANRHFSA-N 1 1 396.531 4.011 20 0 GIADMO COc1ccc(-c2noc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181226145 821705749 /nfs/dbraw/zinc/70/57/49/821705749.db2.gz YEAIKDRDAWLQHS-OXQOHEQNSA-N 1 1 379.460 4.003 20 0 GIADMO Cc1ccc(-c2ccc(C(=O)NC3CCN(c4cc(C)[nH+]c(C)n4)CC3)s2)o1 ZINC000181284457 821734288 /nfs/dbraw/zinc/73/42/88/821734288.db2.gz DKFDXMLPWXNLNN-UHFFFAOYSA-N 1 1 396.516 4.122 20 0 GIADMO C[N@@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn21)C[C@@H](O)C(F)(F)F ZINC000181293841 821739963 /nfs/dbraw/zinc/73/99/63/821739963.db2.gz SYIJSUYXEMDCAU-CYBMUJFWSA-N 1 1 389.830 4.071 20 0 GIADMO C[N@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn21)C[C@@H](O)C(F)(F)F ZINC000181293841 821739967 /nfs/dbraw/zinc/73/99/67/821739967.db2.gz SYIJSUYXEMDCAU-CYBMUJFWSA-N 1 1 389.830 4.071 20 0 GIADMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181300957 821743411 /nfs/dbraw/zinc/74/34/11/821743411.db2.gz RQCLMSHBFJKFDE-GOSISDBHSA-N 1 1 384.487 4.103 20 0 GIADMO COCCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc1OC ZINC000181314705 821752521 /nfs/dbraw/zinc/75/25/21/821752521.db2.gz YCAILNNNFHQKNC-HNNXBMFYSA-N 1 1 399.516 4.090 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000181353205 821781834 /nfs/dbraw/zinc/78/18/34/821781834.db2.gz SRZDNAPSTFPSQQ-OAHLLOKOSA-N 1 1 379.435 4.458 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181371043 821792408 /nfs/dbraw/zinc/79/24/08/821792408.db2.gz DHMKTGCMNSGJIV-FPOVZHCZSA-N 1 1 389.902 4.147 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCc2ccncc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181371043 821792411 /nfs/dbraw/zinc/79/24/11/821792411.db2.gz DHMKTGCMNSGJIV-FPOVZHCZSA-N 1 1 389.902 4.147 20 0 GIADMO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000181410816 821811206 /nfs/dbraw/zinc/81/12/06/821811206.db2.gz RDFYDJZEMSMNLW-JVPBZIDWSA-N 1 1 386.458 4.004 20 0 GIADMO COc1ccc([C@H](C)NCc2ccc(C[NH+](C)C)cc2)c(Br)c1 ZINC000181416233 821814507 /nfs/dbraw/zinc/81/45/07/821814507.db2.gz WTSWGKCIIQSAOH-AWEZNQCLSA-N 1 1 377.326 4.370 20 0 GIADMO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000181417259 821815140 /nfs/dbraw/zinc/81/51/40/821815140.db2.gz DZYZSKAZFPTOSC-UFYCRDLUSA-N 1 1 395.385 4.258 20 0 GIADMO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000181417259 821815148 /nfs/dbraw/zinc/81/51/48/821815148.db2.gz DZYZSKAZFPTOSC-UFYCRDLUSA-N 1 1 395.385 4.258 20 0 GIADMO C(c1nnc(C2CC2)n1C1CC1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000181435677 821825951 /nfs/dbraw/zinc/82/59/51/821825951.db2.gz YSLDHOMWTLSUDQ-OAHLLOKOSA-N 1 1 383.565 4.205 20 0 GIADMO C(c1nnc(C2CC2)n1C1CC1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000181435677 821825961 /nfs/dbraw/zinc/82/59/61/821825961.db2.gz YSLDHOMWTLSUDQ-OAHLLOKOSA-N 1 1 383.565 4.205 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)o2)cc1 ZINC000181459229 821835422 /nfs/dbraw/zinc/83/54/22/821835422.db2.gz PDTONNBMSOKMAD-UYAOXDASSA-N 1 1 395.547 4.352 20 0 GIADMO C[C@H](NC(=O)c1ccnc(OCc2ccccc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181460614 821836666 /nfs/dbraw/zinc/83/66/66/821836666.db2.gz BZDJSCOXMFJNBN-RXVVDRJESA-N 1 1 393.531 4.043 20 0 GIADMO CCCOc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OCC ZINC000181483267 821846709 /nfs/dbraw/zinc/84/67/09/821846709.db2.gz PLFYYHAOIFNFLF-HKUYNNGSSA-N 1 1 388.552 4.257 20 0 GIADMO C[C@H](NC(=O)CCCc1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181498646 821854954 /nfs/dbraw/zinc/85/49/54/821854954.db2.gz IFFCIOJIHKRBMH-DLBZAZTESA-N 1 1 385.577 4.388 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CC1(Cl)Cl ZINC000181497959 821855007 /nfs/dbraw/zinc/85/50/07/821855007.db2.gz LOKRTVWQSDKUHB-AWEZNQCLSA-N 1 1 396.145 4.268 20 0 GIADMO CCOc1ccccc1OCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181508321 821859439 /nfs/dbraw/zinc/85/94/39/821859439.db2.gz ZJSLQXADZWCYCI-MOPGFXCFSA-N 1 1 388.552 4.014 20 0 GIADMO Cc1cccc(NC(=O)CN2CC[NH+](CCCc3ccccc3Cl)CC2)c1C ZINC000181517659 821863413 /nfs/dbraw/zinc/86/34/13/821863413.db2.gz NIPUJGUXRIQRHV-UHFFFAOYSA-N 1 1 399.966 4.146 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4nnc(C5CC5)n4C4CC4)C3)nc2c1 ZINC000181525677 821866557 /nfs/dbraw/zinc/86/65/57/821866557.db2.gz HQWDNATVECWZFE-INIZCTEOSA-N 1 1 376.508 4.055 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4nnc(C5CC5)n4C4CC4)C3)nc2c1 ZINC000181525677 821866565 /nfs/dbraw/zinc/86/65/65/821866565.db2.gz HQWDNATVECWZFE-INIZCTEOSA-N 1 1 376.508 4.055 20 0 GIADMO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)sc1Cl ZINC000181525256 821866678 /nfs/dbraw/zinc/86/66/78/821866678.db2.gz BRGDQLWEQPNMBF-CBAPKCEASA-N 1 1 375.243 4.259 20 0 GIADMO C[C@H](NC(=O)c1cnc(Cc2ccccc2)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181531387 821869089 /nfs/dbraw/zinc/86/90/89/821869089.db2.gz FTZRNLRXIXRKRZ-FUHWJXTLSA-N 1 1 383.561 4.117 20 0 GIADMO C[C@@H](NC(=O)c1ccc(Br)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181544952 821875380 /nfs/dbraw/zinc/87/53/80/821875380.db2.gz QDOAAJSFEGPNHZ-OLZOCXBDSA-N 1 1 399.760 4.485 20 0 GIADMO C[C@@H](NC(=O)c1cnc(-c2ccsc2)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181547121 821875907 /nfs/dbraw/zinc/87/59/07/821875907.db2.gz IEPIDYONKBOSEE-ZIAGYGMSSA-N 1 1 375.563 4.254 20 0 GIADMO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1nc(-c2ccsc2)no1 ZINC000181653464 821924225 /nfs/dbraw/zinc/92/42/25/821924225.db2.gz ZZAUKIDFKNRIGN-UHFFFAOYSA-N 1 1 398.410 4.159 20 0 GIADMO C[N@H+](Cc1csc(Br)c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181656926 821926912 /nfs/dbraw/zinc/92/69/12/821926912.db2.gz JKHOUMRKWXFZDI-UHFFFAOYSA-N 1 1 387.387 4.227 20 0 GIADMO CCC[C@H]([NH2+]CC(=O)Nc1ccc(OC)c(OC)c1)c1ccc(F)cc1F ZINC000181678332 821939658 /nfs/dbraw/zinc/93/96/58/821939658.db2.gz WGCHTOWCRZKYIB-KRWDZBQOSA-N 1 1 378.419 4.052 20 0 GIADMO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1NC(=O)CC(C)C ZINC000181683294 821942431 /nfs/dbraw/zinc/94/24/31/821942431.db2.gz GBYHGXJLLSTNEW-QUCCMNQESA-N 1 1 399.579 4.362 20 0 GIADMO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1NC(=O)CC(C)C ZINC000181683273 821942569 /nfs/dbraw/zinc/94/25/69/821942569.db2.gz GBYHGXJLLSTNEW-ICSRJNTNSA-N 1 1 399.579 4.362 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+]C3(c4ccc(C(C)(C)C)cc4)CCCC3)sc2n1 ZINC000181692824 821946759 /nfs/dbraw/zinc/94/67/59/821946759.db2.gz ZOYBVWHUSHITAK-UHFFFAOYSA-N 1 1 396.560 4.316 20 0 GIADMO CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181717469 821958522 /nfs/dbraw/zinc/95/85/22/821958522.db2.gz ZLDOTYKZZIZCKL-OAQYLSRUSA-N 1 1 392.559 4.102 20 0 GIADMO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000181718840 821959574 /nfs/dbraw/zinc/95/95/74/821959574.db2.gz RIHDUHTZXUONGG-GOSISDBHSA-N 1 1 385.533 4.422 20 0 GIADMO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccccn3)n2)cc1C ZINC000181722684 821961395 /nfs/dbraw/zinc/96/13/95/821961395.db2.gz SHZWMRAYOKQNQK-MRXNPFEDSA-N 1 1 380.517 4.420 20 0 GIADMO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@H](C)c3ccccn3)n2)cc1C ZINC000181722666 821961521 /nfs/dbraw/zinc/96/15/21/821961521.db2.gz SHZWMRAYOKQNQK-INIZCTEOSA-N 1 1 380.517 4.420 20 0 GIADMO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000181724902 821962546 /nfs/dbraw/zinc/96/25/46/821962546.db2.gz MUXVZBIMHBZKKL-INIZCTEOSA-N 1 1 380.305 4.224 20 0 GIADMO CS(=O)(=O)Cc1nc(C[NH2+][C@H](CC2CCCCC2)c2ccccc2)cs1 ZINC000181826123 822008318 /nfs/dbraw/zinc/00/83/18/822008318.db2.gz VBLZSUMAQXKOIS-LJQANCHMSA-N 1 1 392.590 4.489 20 0 GIADMO CCn1c(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)nc2c1cccc2F ZINC000181826894 822008521 /nfs/dbraw/zinc/00/85/21/822008521.db2.gz AUCNYLJSYNMIBX-GOSISDBHSA-N 1 1 383.467 4.368 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000181833646 822011353 /nfs/dbraw/zinc/01/13/53/822011353.db2.gz FJOZEICSTGAAMC-GOSISDBHSA-N 1 1 380.895 4.413 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000181833668 822011410 /nfs/dbraw/zinc/01/14/10/822011410.db2.gz FJOZEICSTGAAMC-SFHVURJKSA-N 1 1 380.895 4.413 20 0 GIADMO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(OC(F)(F)F)c1 ZINC000181901627 822031629 /nfs/dbraw/zinc/03/16/29/822031629.db2.gz QXNWGRYLKUKGAG-SNVBAGLBSA-N 1 1 381.310 4.485 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC[C@H](c4cc(C)cc(C)c4)C3)CC2)cs1 ZINC000181944977 822042082 /nfs/dbraw/zinc/04/20/82/822042082.db2.gz AVXJUWMNGZXPEZ-FQEVSTJZSA-N 1 1 397.588 4.296 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000181961289 822046808 /nfs/dbraw/zinc/04/68/08/822046808.db2.gz AQAYDJPQAPTUBJ-QWHCGFSZSA-N 1 1 389.471 4.272 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)n2)ccc1F ZINC000181974479 822049718 /nfs/dbraw/zinc/04/97/18/822049718.db2.gz RHCQDPGBFMUFHN-NRFANRHFSA-N 1 1 397.450 4.442 20 0 GIADMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000182032258 822068300 /nfs/dbraw/zinc/06/83/00/822068300.db2.gz OMLGXTAKGSQGIM-OAHLLOKOSA-N 1 1 381.303 4.121 20 0 GIADMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000182032258 822068308 /nfs/dbraw/zinc/06/83/08/822068308.db2.gz OMLGXTAKGSQGIM-OAHLLOKOSA-N 1 1 381.303 4.121 20 0 GIADMO CCC[C@@H]1CN(C(=O)C[C@@H](C)c2c(C)noc2C)CC[N@H+]1Cc1ccccc1 ZINC000182056191 822076906 /nfs/dbraw/zinc/07/69/06/822076906.db2.gz HDWPACFGHITDCD-DYESRHJHSA-N 1 1 383.536 4.298 20 0 GIADMO CCC[C@H]1CN(C(=O)c2csc([C@@H]3CCCO3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000182060052 822077965 /nfs/dbraw/zinc/07/79/65/822077965.db2.gz VWSCKAOILDQAFS-ICSRJNTNSA-N 1 1 399.560 4.121 20 0 GIADMO CCC[C@H]1CN(C(=O)c2csc([C@@H]3CCCO3)n2)CC[N@H+]1Cc1ccccc1 ZINC000182060052 822077974 /nfs/dbraw/zinc/07/79/74/822077974.db2.gz VWSCKAOILDQAFS-ICSRJNTNSA-N 1 1 399.560 4.121 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC000182089986 822089265 /nfs/dbraw/zinc/08/92/65/822089265.db2.gz OVKRROLSOVDGPP-OALUTQOASA-N 1 1 395.547 4.196 20 0 GIADMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C(=O)OC)ccc2F)cc1OCC ZINC000182104248 822095161 /nfs/dbraw/zinc/09/51/61/822095161.db2.gz CCZFPDNLYDKOMC-CQSZACIVSA-N 1 1 375.440 4.261 20 0 GIADMO CCCc1c(NC(=O)CCn2cc[nH+]c2C(C)C)cnn1-c1cccc(F)c1 ZINC000182165871 822126887 /nfs/dbraw/zinc/12/68/87/822126887.db2.gz VWRBKWJEOFEFSD-UHFFFAOYSA-N 1 1 383.471 4.313 20 0 GIADMO Clc1cccc(-c2nc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)co2)c1 ZINC000182183494 822136577 /nfs/dbraw/zinc/13/65/77/822136577.db2.gz UXQCODCSLRQTAP-NRFANRHFSA-N 1 1 397.906 4.158 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182243278 822164041 /nfs/dbraw/zinc/16/40/41/822164041.db2.gz PIKBRTBSZCLPOX-OXQOHEQNSA-N 1 1 387.593 4.382 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182243278 822164046 /nfs/dbraw/zinc/16/40/46/822164046.db2.gz PIKBRTBSZCLPOX-OXQOHEQNSA-N 1 1 387.593 4.382 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](c3ncccc3C)C(C)C)co2)cc1 ZINC000182337872 822206996 /nfs/dbraw/zinc/20/69/96/822206996.db2.gz DGNBWXOGVGYZQL-LJQANCHMSA-N 1 1 379.460 4.319 20 0 GIADMO CC(C)Oc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182396323 822228432 /nfs/dbraw/zinc/22/84/32/822228432.db2.gz YZMDKQPBSZCQEF-NLWGTHIKSA-N 1 1 387.568 4.487 20 0 GIADMO C[C@@H](NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182403842 822231440 /nfs/dbraw/zinc/23/14/40/822231440.db2.gz RSYZKOUZUJYMTI-ZMSDIMECSA-N 1 1 395.494 4.301 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](c3ccc(OC)cc3)C3CC3)co2)cc1 ZINC000182458020 822250056 /nfs/dbraw/zinc/25/00/56/822250056.db2.gz ZHJYBNNHPAIOMO-NRFANRHFSA-N 1 1 392.455 4.378 20 0 GIADMO COC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1ccc(F)c(F)c1 ZINC000182476738 822257422 /nfs/dbraw/zinc/25/74/22/822257422.db2.gz ZXWZNQLCYHWGQN-FQEVSTJZSA-N 1 1 375.463 4.073 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1Cl ZINC000182488997 822263581 /nfs/dbraw/zinc/26/35/81/822263581.db2.gz ACXKPINVBGXVII-UHFFFAOYSA-N 1 1 385.895 4.282 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1c(C)noc1C ZINC000182489586 822264125 /nfs/dbraw/zinc/26/41/25/822264125.db2.gz WDBDXMLKFMIAKW-INIZCTEOSA-N 1 1 384.307 4.298 20 0 GIADMO Fc1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c2c(c1)COCO2 ZINC000177974430 822264803 /nfs/dbraw/zinc/26/48/03/822264803.db2.gz CDKGLFGPWUPIQI-AWEZNQCLSA-N 1 1 388.508 4.407 20 0 GIADMO COCCC[C@@H](C)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000182495563 822267447 /nfs/dbraw/zinc/26/74/47/822267447.db2.gz KMRXCDFNJVEDRG-YLJYHZDGSA-N 1 1 386.561 4.026 20 0 GIADMO COCCC[C@@H](C)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000182495563 822267458 /nfs/dbraw/zinc/26/74/58/822267458.db2.gz KMRXCDFNJVEDRG-YLJYHZDGSA-N 1 1 386.561 4.026 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1c(C)noc1C ZINC000182514068 822277083 /nfs/dbraw/zinc/27/70/83/822277083.db2.gz WZCWGYWCVMCLTE-IBGZPJMESA-N 1 1 395.507 4.082 20 0 GIADMO CC[C@@H](C)[N@@H+](CCCOCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000182524331 822282570 /nfs/dbraw/zinc/28/25/70/822282570.db2.gz LQJKJCIAWNWBPA-GOSISDBHSA-N 1 1 379.504 4.131 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)C1 ZINC000178025796 822288449 /nfs/dbraw/zinc/28/84/49/822288449.db2.gz YLUORPZPVPQNPU-SFHVURJKSA-N 1 1 394.519 4.053 20 0 GIADMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000182538795 822290457 /nfs/dbraw/zinc/29/04/57/822290457.db2.gz VLBFKVZXQIXCOK-OAHLLOKOSA-N 1 1 392.478 4.309 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)ccc2SCC(F)(F)F)C1 ZINC000178038296 822293505 /nfs/dbraw/zinc/29/35/05/822293505.db2.gz MLDYZDKJMCTVSF-AWEZNQCLSA-N 1 1 389.487 4.455 20 0 GIADMO COc1cc(-c2nc(C[NH2+][C@H](C)c3cccc(NC(C)=O)c3)cs2)ccc1O ZINC000182547467 822295485 /nfs/dbraw/zinc/29/54/85/822295485.db2.gz BZONFORPQTWLQG-CYBMUJFWSA-N 1 1 397.500 4.334 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)C1 ZINC000178043109 822295967 /nfs/dbraw/zinc/29/59/67/822295967.db2.gz TUPWAZKPKQTFRS-OAHLLOKOSA-N 1 1 388.899 4.333 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000182555374 822299736 /nfs/dbraw/zinc/29/97/36/822299736.db2.gz NJLVBDZSFKSCJD-MRXNPFEDSA-N 1 1 393.959 4.028 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1)c1ccccc1 ZINC000178052817 822302009 /nfs/dbraw/zinc/30/20/09/822302009.db2.gz QTMRXLCPMBEZLE-QGZVFWFLSA-N 1 1 393.462 4.123 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1)c1ccccc1 ZINC000178052817 822302018 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C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2[C@@H]3CCC[C@H]23)CC1 ZINC000178157134 822336581 /nfs/dbraw/zinc/33/65/81/822336581.db2.gz SCMRBGHYNPJJQW-DFNIBXOVSA-N 1 1 380.454 4.174 20 0 GIADMO O=C(Nc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1)c1ccoc1 ZINC000178173833 822341424 /nfs/dbraw/zinc/34/14/24/822341424.db2.gz WKKDVIDSEQYWAM-MRXNPFEDSA-N 1 1 381.476 4.125 20 0 GIADMO CC(C)c1nc(-c2ccccc2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000178175277 822342087 /nfs/dbraw/zinc/34/20/87/822342087.db2.gz OXFAAMRWWZEIHE-INIZCTEOSA-N 1 1 381.524 4.188 20 0 GIADMO CC(C)c1nnc(-c2ccccc2NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[nH]1 ZINC000178175277 822342094 /nfs/dbraw/zinc/34/20/94/822342094.db2.gz OXFAAMRWWZEIHE-INIZCTEOSA-N 1 1 381.524 4.188 20 0 GIADMO CC(C)c1nnc(-c2ccccc2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[nH]1 ZINC000178175277 822342104 /nfs/dbraw/zinc/34/21/04/822342104.db2.gz OXFAAMRWWZEIHE-INIZCTEOSA-N 1 1 381.524 4.188 20 0 GIADMO O=C(Nc1cccc(OCc2cscn2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178181282 822344755 /nfs/dbraw/zinc/34/47/55/822344755.db2.gz OICDRUWFJXZORV-INIZCTEOSA-N 1 1 385.533 4.315 20 0 GIADMO COC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)o1 ZINC000182672520 822346797 /nfs/dbraw/zinc/34/67/97/822346797.db2.gz LQZZATDUHSVJIM-UHFFFAOYSA-N 1 1 392.171 4.137 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(Cl)cn3)c2)cc1 ZINC000182685057 822350640 /nfs/dbraw/zinc/35/06/40/822350640.db2.gz RDSQNXFOTWRISS-UHFFFAOYSA-N 1 1 381.863 4.286 20 0 GIADMO CCn1cc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc21 ZINC000178249184 822358431 /nfs/dbraw/zinc/35/84/31/822358431.db2.gz RYGJKJLJRNNIRF-KDURUIRLSA-N 1 1 397.563 4.013 20 0 GIADMO Cc1ccc(C[C@@H](CO)[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)cc1C ZINC000453411447 822359144 /nfs/dbraw/zinc/35/91/44/822359144.db2.gz AMVQBJGZSQZEFB-NZQKXSOJSA-N 1 1 382.454 4.259 20 0 GIADMO O=C(c1c[nH]cc1-c1ccccc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000045062173 822360660 /nfs/dbraw/zinc/36/06/60/822360660.db2.gz QQHXJWZESNTUOD-UHFFFAOYSA-N 1 1 396.494 4.188 20 0 GIADMO C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2CCCCC3)c2cccc(Br)c21 ZINC000178286634 822363471 /nfs/dbraw/zinc/36/34/71/822363471.db2.gz FCGYLUSJVQQMGY-IUODEOHRSA-N 1 1 375.314 4.105 20 0 GIADMO C[C@@H]1C[C@H]([NH2+]Cc2nnc3n2CCCCC3)c2cccc(Br)c21 ZINC000178286607 822363486 /nfs/dbraw/zinc/36/34/86/822363486.db2.gz FCGYLUSJVQQMGY-DOMZBBRYSA-N 1 1 375.314 4.105 20 0 GIADMO CCOCCOCc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1C ZINC000178310798 822366099 /nfs/dbraw/zinc/36/60/99/822366099.db2.gz WOFSUDGXMLVXKX-LJQANCHMSA-N 1 1 388.552 4.141 20 0 GIADMO CNC(=O)c1ccc(C)c(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000182791910 822367968 /nfs/dbraw/zinc/36/79/68/822367968.db2.gz JRZIWXBIKKZTSV-UHFFFAOYSA-N 1 1 389.902 4.224 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CCc1cccs1 ZINC000178333528 822368056 /nfs/dbraw/zinc/36/80/56/822368056.db2.gz PGVQLNUCLZSGTO-IBGZPJMESA-N 1 1 394.544 4.271 20 0 GIADMO Cc1cc(C)cc([C@@H]2CC[N@H+](CN3C(=S)N=NC3Cc3cccs3)C2)c1 ZINC000182794013 822368206 /nfs/dbraw/zinc/36/82/06/822368206.db2.gz SKDUFKANFDSSQH-MRXNPFEDSA-N 1 1 384.574 4.283 20 0 GIADMO Cc1cc(C)cc([C@@H]2CC[N@@H+](CN3C(=S)N=NC3Cc3cccs3)C2)c1 ZINC000182794013 822368211 /nfs/dbraw/zinc/36/82/11/822368211.db2.gz SKDUFKANFDSSQH-MRXNPFEDSA-N 1 1 384.574 4.283 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182803229 822370131 /nfs/dbraw/zinc/37/01/31/822370131.db2.gz CWFYYASDLRGXEV-ZBFHGGJFSA-N 1 1 394.441 4.128 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182803229 822370135 /nfs/dbraw/zinc/37/01/35/822370135.db2.gz CWFYYASDLRGXEV-ZBFHGGJFSA-N 1 1 394.441 4.128 20 0 GIADMO CCN(C(=O)Cc1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1)c1ccccc1 ZINC000182807152 822371037 /nfs/dbraw/zinc/37/10/37/822371037.db2.gz RQXOXOPKJWKYDX-YCRNBWNJSA-N 1 1 379.548 4.423 20 0 GIADMO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000453469014 822371256 /nfs/dbraw/zinc/37/12/56/822371256.db2.gz UPKSKMLBLFRNJT-BJLQDIEVSA-N 1 1 389.588 4.019 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000045233776 822371838 /nfs/dbraw/zinc/37/18/38/822371838.db2.gz CAHIYKCDSVIRHA-MAUKXSAKSA-N 1 1 379.545 4.174 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045234085 822371917 /nfs/dbraw/zinc/37/19/17/822371917.db2.gz CKPXVZGYACBAGL-MAUKXSAKSA-N 1 1 379.545 4.316 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)n1 ZINC000182828730 822374238 /nfs/dbraw/zinc/37/42/38/822374238.db2.gz HMYZZRFFUGFTFA-OAHLLOKOSA-N 1 1 376.382 4.394 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)n1 ZINC000182828730 822374240 /nfs/dbraw/zinc/37/42/40/822374240.db2.gz HMYZZRFFUGFTFA-OAHLLOKOSA-N 1 1 376.382 4.394 20 0 GIADMO C[C@@H](NC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182845450 822377364 /nfs/dbraw/zinc/37/73/64/822377364.db2.gz XBPPOQKUUVNTAI-TZIWHRDSSA-N 1 1 399.579 4.030 20 0 GIADMO C[C@@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182847663 822377979 /nfs/dbraw/zinc/37/79/79/822377979.db2.gz TURWMVOWFIAKCQ-HUUCEWRRSA-N 1 1 379.495 4.152 20 0 GIADMO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178432354 822378489 /nfs/dbraw/zinc/37/84/89/822378489.db2.gz JGDISQFFOQGFOS-APWZRJJASA-N 1 1 397.519 4.209 20 0 GIADMO O=C(Nc1ccc2c3c(cccc31)CC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178434584 822378999 /nfs/dbraw/zinc/37/89/99/822378999.db2.gz QMUASRODZLOXLQ-PGRDOPGGSA-N 1 1 375.516 4.419 20 0 GIADMO CC(C)c1[nH+]ccn1CC(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000182855222 822379531 /nfs/dbraw/zinc/37/95/31/822379531.db2.gz RBZIQVQIDBCJPC-UHFFFAOYSA-N 1 1 393.487 4.241 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000178479999 822383673 /nfs/dbraw/zinc/38/36/73/822383673.db2.gz GLHJCMUQWMTZAV-HNNXBMFYSA-N 1 1 395.482 4.160 20 0 GIADMO C[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182874106 822383832 /nfs/dbraw/zinc/38/38/32/822383832.db2.gz UIUVXCPIIXHVFH-UYAOXDASSA-N 1 1 390.527 4.300 20 0 GIADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)Nc1ccc2ccccc2c1 ZINC000182881144 822385240 /nfs/dbraw/zinc/38/52/40/822385240.db2.gz OMHNXDMWELSRLX-HSZRJFAPSA-N 1 1 389.499 4.118 20 0 GIADMO COc1ccc(/C=C(\C)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1F ZINC000182884693 822385614 /nfs/dbraw/zinc/38/56/14/822385614.db2.gz HANKPKWRZYCSSG-BMRADRMJSA-N 1 1 397.494 4.018 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000182891997 822387186 /nfs/dbraw/zinc/38/71/86/822387186.db2.gz VAAQHLFGDLDSQM-CVDCTZTESA-N 1 1 392.547 4.030 20 0 GIADMO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000178520687 822387395 /nfs/dbraw/zinc/38/73/95/822387395.db2.gz HMCDQCMBRVECEE-GFCCVEGCSA-N 1 1 398.391 4.222 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182893391 822387388 /nfs/dbraw/zinc/38/73/88/822387388.db2.gz ABGVURVCSJJKPQ-WBVHZDCISA-N 1 1 397.485 4.500 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000178530286 822388557 /nfs/dbraw/zinc/38/85/57/822388557.db2.gz UMFNUCITTPABCM-DOTOQJQBSA-N 1 1 389.952 4.328 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182902514 822389558 /nfs/dbraw/zinc/38/95/58/822389558.db2.gz BTWAYDTZTWOMQC-RTBURBONSA-N 1 1 384.568 4.451 20 0 GIADMO Cc1nc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)sc1C ZINC000178546776 822390617 /nfs/dbraw/zinc/39/06/17/822390617.db2.gz IEKIJAJTQXEHQE-MOPGFXCFSA-N 1 1 384.549 4.278 20 0 GIADMO CON1CCC([N@@H+](C)Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000453600382 822391341 /nfs/dbraw/zinc/39/13/41/822391341.db2.gz DWRBOQCGEVUBHZ-UHFFFAOYSA-N 1 1 387.911 4.050 20 0 GIADMO C[C@H](NC(=O)N1CCC[C@@H]1Cc1cccc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182913387 822391613 /nfs/dbraw/zinc/39/16/13/822391613.db2.gz GBZRNUIPNPSWGA-LQBOVUBWSA-N 1 1 387.543 4.195 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2ncc(Br)s2)c2ccccc2)CCCC1 ZINC000453608404 822392390 /nfs/dbraw/zinc/39/23/90/822392390.db2.gz FHCVGGDAUIGXDX-INIZCTEOSA-N 1 1 381.339 4.289 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000178577430 822393262 /nfs/dbraw/zinc/39/32/62/822393262.db2.gz FHNPZBNYQLCMKU-UHFFFAOYSA-N 1 1 397.425 4.471 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182927123 822394502 /nfs/dbraw/zinc/39/45/02/822394502.db2.gz LSWLGKOIQRLNCL-NVXWUHKLSA-N 1 1 395.494 4.082 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000178594893 822394919 /nfs/dbraw/zinc/39/49/19/822394919.db2.gz YSSCHPULVBRWHL-PBHICJAKSA-N 1 1 387.911 4.294 20 0 GIADMO O=C1[C@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C[C@H]2CCCCN12 ZINC000453631195 822395728 /nfs/dbraw/zinc/39/57/28/822395728.db2.gz OSEOLSBGTKCZHY-IUODEOHRSA-N 1 1 396.343 4.360 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1N[C@H](C)[C@H]1CCOC1)CC2 ZINC000182968994 822401752 /nfs/dbraw/zinc/40/17/52/822401752.db2.gz JDHXOZZCGKKLIJ-XLIONFOSSA-N 1 1 396.531 4.099 20 0 GIADMO COCCOc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000178708338 822404645 /nfs/dbraw/zinc/40/46/45/822404645.db2.gz RWBMHHIIOJNRJL-CYBMUJFWSA-N 1 1 382.273 4.464 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc2c(c1)OCCO2 ZINC000045697263 822406057 /nfs/dbraw/zinc/40/60/57/822406057.db2.gz DIORKCQVOGUJBU-UHFFFAOYSA-N 1 1 376.456 4.072 20 0 GIADMO CC(=O)c1ccc(NC(=S)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000045711391 822407056 /nfs/dbraw/zinc/40/70/56/822407056.db2.gz RZSZNQSDMMCXTF-UHFFFAOYSA-N 1 1 381.545 4.013 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2sc(C)nc2C)CC1 ZINC000178770516 822408481 /nfs/dbraw/zinc/40/84/81/822408481.db2.gz RQUXDZYHBPWTCT-CABCVRRESA-N 1 1 390.572 4.453 20 0 GIADMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178770516 822408484 /nfs/dbraw/zinc/40/84/84/822408484.db2.gz RQUXDZYHBPWTCT-CABCVRRESA-N 1 1 390.572 4.453 20 0 GIADMO COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cc1CN1CCCCC1 ZINC000183006552 822410015 /nfs/dbraw/zinc/41/00/15/822410015.db2.gz OHJNGXMSNFPMNH-HTAPYJJXSA-N 1 1 388.577 4.301 20 0 GIADMO O=C(Nc1ncc(Cc2ccccc2)s1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178806054 822412242 /nfs/dbraw/zinc/41/22/42/822412242.db2.gz LHAIHSIFPBCKSX-YLJYHZDGSA-N 1 1 396.560 4.215 20 0 GIADMO COc1ccccc1CN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000045780415 822413066 /nfs/dbraw/zinc/41/30/66/822413066.db2.gz PMHNPRNMHZTOFV-IBGZPJMESA-N 1 1 395.547 4.411 20 0 GIADMO COc1cccc(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000045789464 822413904 /nfs/dbraw/zinc/41/39/04/822413904.db2.gz ODTHETLKVKBVAD-LJQANCHMSA-N 1 1 395.547 4.269 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000045789598 822413951 /nfs/dbraw/zinc/41/39/51/822413951.db2.gz VEHJLFQOSPLULA-UHFFFAOYSA-N 1 1 395.547 4.322 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1cccs1 ZINC000045823897 822417043 /nfs/dbraw/zinc/41/70/43/822417043.db2.gz IXSPQCGWUIKFJM-IBGZPJMESA-N 1 1 384.545 4.009 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1cccs1 ZINC000045823898 822417135 /nfs/dbraw/zinc/41/71/35/822417135.db2.gz IXSPQCGWUIKFJM-LJQANCHMSA-N 1 1 384.545 4.009 20 0 GIADMO CN(C(=O)c1cccc(C(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178877372 822418349 /nfs/dbraw/zinc/41/83/49/822418349.db2.gz DLCSCXKDVJBOEB-PMACEKPBSA-N 1 1 393.522 4.033 20 0 GIADMO C[S@](=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 ZINC000183070849 822420400 /nfs/dbraw/zinc/42/04/00/822420400.db2.gz NRJJEPRUWFCWQV-DFHRPNOPSA-N 1 1 392.524 4.002 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCCc2ccccn2)c1 ZINC000178920898 822421880 /nfs/dbraw/zinc/42/18/80/822421880.db2.gz HQLUGWOGIMTYJT-UHFFFAOYSA-N 1 1 377.492 4.204 20 0 GIADMO C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000183086962 822423075 /nfs/dbraw/zinc/42/30/75/822423075.db2.gz XUJHTODMUDIVNI-SKCUWOTOSA-N 1 1 392.524 4.148 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OCO2 ZINC000045947355 822426183 /nfs/dbraw/zinc/42/61/83/822426183.db2.gz LEBYHJUVYCZHEA-MRXNPFEDSA-N 1 1 381.476 4.111 20 0 GIADMO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000183117321 822426704 /nfs/dbraw/zinc/42/67/04/822426704.db2.gz HJWXRFAHLDPUEN-BJFGDUBASA-N 1 1 386.561 4.021 20 0 GIADMO COc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000045958090 822426813 /nfs/dbraw/zinc/42/68/13/822426813.db2.gz WSLCOOIYNKVHDZ-KRWDZBQOSA-N 1 1 397.519 4.400 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000178990438 822427123 /nfs/dbraw/zinc/42/71/23/822427123.db2.gz PPWWIOMFBRXFAL-YLJYHZDGSA-N 1 1 399.535 4.123 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)c3nc4cc(Cl)ccc4s3)CC2)[nH+]1 ZINC000454158504 822434031 /nfs/dbraw/zinc/43/40/31/822434031.db2.gz DTCLJCWZONLFGD-UHFFFAOYSA-N 1 1 386.908 4.052 20 0 GIADMO FC(F)(F)c1csc([C@H]2CCC[N@H+](Cc3nnc(-c4ccco4)o3)C2)n1 ZINC000179094398 822437480 /nfs/dbraw/zinc/43/74/80/822437480.db2.gz ICZDAMFACJPWKE-JTQLQIEISA-N 1 1 384.383 4.185 20 0 GIADMO FC(F)(F)c1csc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)n1 ZINC000179094398 822437482 /nfs/dbraw/zinc/43/74/82/822437482.db2.gz ICZDAMFACJPWKE-JTQLQIEISA-N 1 1 384.383 4.185 20 0 GIADMO Cc1ccc(-c2ccsc2C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000046047308 822438021 /nfs/dbraw/zinc/43/80/21/822438021.db2.gz MHGOUECNXGTUPX-IBGZPJMESA-N 1 1 384.545 4.050 20 0 GIADMO Cc1nc(-c2ccc([C@@H](C)NC(=O)NCCCC[N@@H+](C)C3CC3)cc2)cs1 ZINC000454202801 822438418 /nfs/dbraw/zinc/43/84/18/822438418.db2.gz KJSADDGNVPOAAJ-OAHLLOKOSA-N 1 1 386.565 4.353 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000046060690 822438507 /nfs/dbraw/zinc/43/85/07/822438507.db2.gz JTQFUXXLCNWZBB-ZJSXRUAMSA-N 1 1 394.515 4.199 20 0 GIADMO C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183193877 822439218 /nfs/dbraw/zinc/43/92/18/822439218.db2.gz NLTMXXZWFCKDTL-YQVWRLOYSA-N 1 1 384.568 4.274 20 0 GIADMO C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193877 822439219 /nfs/dbraw/zinc/43/92/19/822439219.db2.gz NLTMXXZWFCKDTL-YQVWRLOYSA-N 1 1 384.568 4.274 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000454220510 822440413 /nfs/dbraw/zinc/44/04/13/822440413.db2.gz XWJADUQYQJRGCM-INIZCTEOSA-N 1 1 375.822 4.308 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)cc2)C[C@H](C)O1 ZINC000046098186 822440815 /nfs/dbraw/zinc/44/08/15/822440815.db2.gz KMLPXLLJJOKTDN-IYBDPMFKSA-N 1 1 396.487 4.055 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)cc2)C[C@H](C)O1 ZINC000046098186 822440818 /nfs/dbraw/zinc/44/08/18/822440818.db2.gz KMLPXLLJJOKTDN-IYBDPMFKSA-N 1 1 396.487 4.055 20 0 GIADMO CCCOc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OCCC ZINC000454233976 822441776 /nfs/dbraw/zinc/44/17/76/822441776.db2.gz CJYULJNQASZFSX-QFIPXVFZSA-N 1 1 389.540 4.214 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(-c3ncn(C)n3)cc2)cc1 ZINC000183216184 822442938 /nfs/dbraw/zinc/44/29/38/822442938.db2.gz NCQQZBIARRIYJG-QGZVFWFLSA-N 1 1 389.503 4.109 20 0 GIADMO C[C@H](CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)c1ccc(F)cc1F ZINC000179148832 822443912 /nfs/dbraw/zinc/44/39/12/822443912.db2.gz FMCVQCFHSQIZBO-MRXNPFEDSA-N 1 1 387.474 4.239 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3Cl)CC[N@H+]2C2CC2)c1 ZINC000183231773 822445151 /nfs/dbraw/zinc/44/51/51/822445151.db2.gz ASKPIIZVJMSEGQ-VQTJNVASSA-N 1 1 388.870 4.196 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(-c4cnn(C)c4)n3)cc2)C1 ZINC000046156244 822445611 /nfs/dbraw/zinc/44/56/11/822445611.db2.gz SWKDQTNGVDYZSK-HNNXBMFYSA-N 1 1 395.532 4.028 20 0 GIADMO c1cc(COc2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)ccn1 ZINC000179173685 822447043 /nfs/dbraw/zinc/44/70/43/822447043.db2.gz ARHPNMLTNXALLF-ZJSXRUAMSA-N 1 1 377.532 4.109 20 0 GIADMO c1cc(COc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)cc2)ccn1 ZINC000179173685 822447045 /nfs/dbraw/zinc/44/70/45/822447045.db2.gz ARHPNMLTNXALLF-ZJSXRUAMSA-N 1 1 377.532 4.109 20 0 GIADMO c1cc(COc2ccc(C[N@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)cc2)ccn1 ZINC000179173685 822447048 /nfs/dbraw/zinc/44/70/48/822447048.db2.gz ARHPNMLTNXALLF-ZJSXRUAMSA-N 1 1 377.532 4.109 20 0 GIADMO c1cc(COc2ccc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)ccn1 ZINC000179173685 822447050 /nfs/dbraw/zinc/44/70/50/822447050.db2.gz ARHPNMLTNXALLF-ZJSXRUAMSA-N 1 1 377.532 4.109 20 0 GIADMO c1cc(COc2ccc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)ccn1 ZINC000179173685 822447052 /nfs/dbraw/zinc/44/70/52/822447052.db2.gz ARHPNMLTNXALLF-ZJSXRUAMSA-N 1 1 377.532 4.109 20 0 GIADMO CC1([C@H]2CCC[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)OCCO1 ZINC000183241677 822447156 /nfs/dbraw/zinc/44/71/56/822447156.db2.gz RZJBDOUVIIWCNZ-QFIPXVFZSA-N 1 1 392.499 4.112 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)CCCc3cccs3)CC[N@H+]2C2CC2)c1 ZINC000183249397 822448411 /nfs/dbraw/zinc/44/84/11/822448411.db2.gz GCYBHAVJRFZKON-RBBKRZOGSA-N 1 1 384.545 4.174 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccc2c(c1)OCCO2 ZINC000179210250 822451679 /nfs/dbraw/zinc/45/16/79/822451679.db2.gz HYNLIEGVQIKXJZ-JQWIXIFHSA-N 1 1 383.311 4.479 20 0 GIADMO CCCOc1c(Cl)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1OCC ZINC000183270946 822451731 /nfs/dbraw/zinc/45/17/31/822451731.db2.gz KVPDSQPOAIMRLH-UHFFFAOYSA-N 1 1 397.943 4.157 20 0 GIADMO CCCOc1c(Cl)cc(C[N@H+]2CCOCC3(CCOCC3)C2)cc1OCC ZINC000183270946 822451733 /nfs/dbraw/zinc/45/17/33/822451733.db2.gz KVPDSQPOAIMRLH-UHFFFAOYSA-N 1 1 397.943 4.157 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccc(N2CCCC2=O)cc1 ZINC000179213999 822452121 /nfs/dbraw/zinc/45/21/21/822452121.db2.gz HXJQEHBBOIYTFT-NEPJUHHUSA-N 1 1 394.338 4.444 20 0 GIADMO CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000179231594 822454427 /nfs/dbraw/zinc/45/44/27/822454427.db2.gz SWAWIHLNPZNHDY-SMDDNHRTSA-N 1 1 385.327 4.077 20 0 GIADMO COCc1cccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000179235184 822455401 /nfs/dbraw/zinc/45/54/01/822455401.db2.gz UUJBKPBXDSVWQD-UHFFFAOYSA-N 1 1 387.911 4.226 20 0 GIADMO O=C1CCCN1c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183314924 822457797 /nfs/dbraw/zinc/45/77/97/822457797.db2.gz TXMYPTOHAFOQTJ-QHCPKHFHSA-N 1 1 375.447 4.227 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H](C(F)(F)F)C[C@H]2C)C1 ZINC000454326947 822458303 /nfs/dbraw/zinc/45/83/03/822458303.db2.gz OGXDZQKBBHFVGX-TWMKSMIVSA-N 1 1 377.495 4.117 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cccc2cnccc21 ZINC000183322690 822458948 /nfs/dbraw/zinc/45/89/48/822458948.db2.gz QUCFVVUODDKTDD-OAQYLSRUSA-N 1 1 375.472 4.155 20 0 GIADMO O=C(C1CCC(F)(F)CC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000179293127 822461856 /nfs/dbraw/zinc/46/18/56/822461856.db2.gz GEQQJQIHWVYCAD-UXHICEINSA-N 1 1 376.491 4.325 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3cnn(C)c3C)cs2)cc1OC ZINC000183357376 822463315 /nfs/dbraw/zinc/46/33/15/822463315.db2.gz RKIHZKARYFSWCK-ZDUSSCGKSA-N 1 1 386.521 4.110 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCSc2ccccc2)C[C@@H](C)O1 ZINC000046343912 822463830 /nfs/dbraw/zinc/46/38/30/822463830.db2.gz UTWRZZZKRAITNY-QZTJIDSGSA-N 1 1 384.545 4.417 20 0 GIADMO COCCO[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)C1 ZINC000179340458 822468015 /nfs/dbraw/zinc/46/80/15/822468015.db2.gz ADTNKTIYWGWPFZ-JTHBVZDNSA-N 1 1 396.531 4.111 20 0 GIADMO COCCO[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)C1 ZINC000179340458 822468019 /nfs/dbraw/zinc/46/80/19/822468019.db2.gz ADTNKTIYWGWPFZ-JTHBVZDNSA-N 1 1 396.531 4.111 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000183407372 822469540 /nfs/dbraw/zinc/46/95/40/822469540.db2.gz PTLBOWFRXVPYTN-QVKFZJNVSA-N 1 1 381.476 4.163 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cc4c(cccc4F)s3)cc2)CC1 ZINC000046403678 822470352 /nfs/dbraw/zinc/47/03/52/822470352.db2.gz QJVNWFLCHZEWIN-UHFFFAOYSA-N 1 1 383.492 4.435 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000454408229 822470657 /nfs/dbraw/zinc/47/06/57/822470657.db2.gz WCJOTUJURZUHNT-HSZRJFAPSA-N 1 1 397.494 4.354 20 0 GIADMO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000183417108 822471343 /nfs/dbraw/zinc/47/13/43/822471343.db2.gz YOCIMEZOZQDDRJ-IBGZPJMESA-N 1 1 392.421 4.150 20 0 GIADMO Cc1nc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)sc1C ZINC000179363107 822471626 /nfs/dbraw/zinc/47/16/26/822471626.db2.gz BHRDTPZJLJRRRB-XJKSGUPXSA-N 1 1 396.919 4.367 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000454415620 822471949 /nfs/dbraw/zinc/47/19/49/822471949.db2.gz SYEGRFPDQXMWDG-XLIONFOSSA-N 1 1 399.560 4.490 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(N3CCCCCCC3)c(F)c2)C1 ZINC000183424772 822472884 /nfs/dbraw/zinc/47/28/84/822472884.db2.gz CIPSAPJFCVHOMH-GOSISDBHSA-N 1 1 390.547 4.402 20 0 GIADMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000179381578 822474165 /nfs/dbraw/zinc/47/41/65/822474165.db2.gz DDMRYOBMWJZDQG-SFHVURJKSA-N 1 1 379.287 4.130 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000183440248 822475391 /nfs/dbraw/zinc/47/53/91/822475391.db2.gz PEYLYFFOAYTONC-CQSZACIVSA-N 1 1 388.483 4.257 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2)o1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388463 822475485 /nfs/dbraw/zinc/47/54/85/822475485.db2.gz YVXMVUFSTLBKEE-SFHVURJKSA-N 1 1 391.519 4.431 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)ccc1F ZINC000179410511 822478918 /nfs/dbraw/zinc/47/89/18/822478918.db2.gz LODWQMFWMOCKOX-BZSNNMDCSA-N 1 1 386.511 4.294 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cs1)c1ccc(C)cc1C ZINC000179424658 822480592 /nfs/dbraw/zinc/48/05/92/822480592.db2.gz DNELHXXAHBHIGD-APWZRJJASA-N 1 1 387.549 4.180 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cs1)c1ccc(C)cc1C ZINC000179424658 822480593 /nfs/dbraw/zinc/48/05/93/822480593.db2.gz DNELHXXAHBHIGD-APWZRJJASA-N 1 1 387.549 4.180 20 0 GIADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccccc1COCc1ccccc1 ZINC000454472697 822480750 /nfs/dbraw/zinc/48/07/50/822480750.db2.gz AVTUUIAVQIBSBR-OAQYLSRUSA-N 1 1 381.520 4.351 20 0 GIADMO COc1ccc(OC(C)C)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000183473880 822480930 /nfs/dbraw/zinc/48/09/30/822480930.db2.gz VRYXUFMDRUWZOI-IAGOWNOFSA-N 1 1 389.540 4.257 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C2CC2)n1 ZINC000183496147 822485974 /nfs/dbraw/zinc/48/59/74/822485974.db2.gz DCZQLHDFRFVGJN-HZPDHXFCSA-N 1 1 379.888 4.090 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)cc1OC ZINC000183502328 822486985 /nfs/dbraw/zinc/48/69/85/822486985.db2.gz QJXSFANPYZRLTE-GFCCVEGCSA-N 1 1 380.485 4.119 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C2CC2)n1 ZINC000183511559 822488040 /nfs/dbraw/zinc/48/80/40/822488040.db2.gz BHZKRSUNJVWOFX-QGZVFWFLSA-N 1 1 398.359 4.458 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C2CC2)n1 ZINC000183511576 822488062 /nfs/dbraw/zinc/48/80/62/822488062.db2.gz BHZKRSUNJVWOFX-KRWDZBQOSA-N 1 1 398.359 4.458 20 0 GIADMO Cc1cccnc1[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)C(C)C ZINC000454515848 822488954 /nfs/dbraw/zinc/48/89/54/822488954.db2.gz PAAILVVIPNYURI-UGKGYDQZSA-N 1 1 394.563 4.251 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000454515966 822489074 /nfs/dbraw/zinc/48/90/74/822489074.db2.gz TYILYDKUGQXDQA-NJDAHSKKSA-N 1 1 396.535 4.212 20 0 GIADMO COc1ccccc1[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccn1 ZINC000179483202 822489231 /nfs/dbraw/zinc/48/92/31/822489231.db2.gz FVBUXWXMPGBYJD-VPHKFGTKSA-N 1 1 387.527 4.290 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(COc3ccccc3)cc2)[C@H](C)C1 ZINC000179497616 822491460 /nfs/dbraw/zinc/49/14/60/822491460.db2.gz WQTMNNFIHZEWGO-XMSQKQJNSA-N 1 1 381.520 4.460 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[NH2+]C3(c4ccccc4)CCCC3)cs2)c1C ZINC000183536261 822491467 /nfs/dbraw/zinc/49/14/67/822491467.db2.gz HHDVLTLNKQYNJX-UHFFFAOYSA-N 1 1 394.544 4.080 20 0 GIADMO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183544303 822492629 /nfs/dbraw/zinc/49/26/29/822492629.db2.gz GXHTZFKDVQJIBJ-FXAWDEMLSA-N 1 1 387.549 4.158 20 0 GIADMO C[NH+](C)CCOc1cc(CN[C@H]2CCCSc3ccc(Cl)cc32)ccn1 ZINC000179511471 822493629 /nfs/dbraw/zinc/49/36/29/822493629.db2.gz FSZJUZAMKPOSJM-SFHVURJKSA-N 1 1 391.968 4.392 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179517506 822495358 /nfs/dbraw/zinc/49/53/58/822495358.db2.gz BDGXMXWIHZHIKE-WMZOPIPTSA-N 1 1 395.551 4.321 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179517506 822495362 /nfs/dbraw/zinc/49/53/62/822495362.db2.gz BDGXMXWIHZHIKE-WMZOPIPTSA-N 1 1 395.551 4.321 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C2CC2)n1 ZINC000183565846 822495505 /nfs/dbraw/zinc/49/55/05/822495505.db2.gz QIOJLCZDHNXLHB-CVEARBPZSA-N 1 1 379.888 4.090 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C2CC2)n1 ZINC000183565864 822495518 /nfs/dbraw/zinc/49/55/18/822495518.db2.gz QIOJLCZDHNXLHB-JKSUJKDBSA-N 1 1 379.888 4.090 20 0 GIADMO OC[C@H]1C=C[C@@H]([NH2+][C@@H](c2ccccc2)c2cc(Br)ccc2F)C1 ZINC000183575043 822496729 /nfs/dbraw/zinc/49/67/29/822496729.db2.gz NOSHYEIOVLMXOI-CRFBAAHOSA-N 1 1 376.269 4.204 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCCC(C)(F)F ZINC000454559439 822496960 /nfs/dbraw/zinc/49/69/60/822496960.db2.gz ZKBAGCYDINBXFG-UHFFFAOYSA-N 1 1 379.451 4.146 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCCC(C)(F)F ZINC000454559439 822496961 /nfs/dbraw/zinc/49/69/61/822496961.db2.gz ZKBAGCYDINBXFG-UHFFFAOYSA-N 1 1 379.451 4.146 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC000183580200 822497205 /nfs/dbraw/zinc/49/72/05/822497205.db2.gz DEHNXYMEPVCTJB-GFCCVEGCSA-N 1 1 393.475 4.159 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)s1 ZINC000183580200 822497206 /nfs/dbraw/zinc/49/72/06/822497206.db2.gz DEHNXYMEPVCTJB-GFCCVEGCSA-N 1 1 393.475 4.159 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)s1 ZINC000183602979 822500166 /nfs/dbraw/zinc/50/01/66/822500166.db2.gz AFLQNCQVHLOBCX-AWEZNQCLSA-N 1 1 397.466 4.112 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)s1 ZINC000183602979 822500168 /nfs/dbraw/zinc/50/01/68/822500168.db2.gz AFLQNCQVHLOBCX-AWEZNQCLSA-N 1 1 397.466 4.112 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000046672298 822502091 /nfs/dbraw/zinc/50/20/91/822502091.db2.gz BLQRBNARETTZPN-FQEVSTJZSA-N 1 1 391.540 4.047 20 0 GIADMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000179557589 822503211 /nfs/dbraw/zinc/50/32/11/822503211.db2.gz RWYFOIZWKSMTDD-GJZGRUSLSA-N 1 1 396.503 4.407 20 0 GIADMO CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1OC ZINC000046688833 822505729 /nfs/dbraw/zinc/50/57/29/822505729.db2.gz SUVMCIQXKNLVDJ-NRFANRHFSA-N 1 1 381.520 4.064 20 0 GIADMO O=C(NC[C@@H]1CSc2ccccc21)Nc1ccccc1C[NH+]1CCSCC1 ZINC000454632045 822509767 /nfs/dbraw/zinc/50/97/67/822509767.db2.gz OUFOVASCCQBCEP-QGZVFWFLSA-N 1 1 399.585 4.246 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)COc1ccc2ccccc2c1 ZINC000046755901 822513751 /nfs/dbraw/zinc/51/37/51/822513751.db2.gz AYTOERFZIHWMQL-UHFFFAOYSA-N 1 1 376.500 4.375 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccc(F)cc1F ZINC000179618927 822513990 /nfs/dbraw/zinc/51/39/90/822513990.db2.gz NYQNJQZXXPDQSD-OAHLLOKOSA-N 1 1 375.444 4.278 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(Cc2ccco2)Cc2ccco2)C1 ZINC000046763053 822514535 /nfs/dbraw/zinc/51/45/35/822514535.db2.gz PQVJRXRUCGFYCX-KDURUIRLSA-N 1 1 387.524 4.343 20 0 GIADMO O=C(CC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)N1CCCCC1 ZINC000183708519 822514905 /nfs/dbraw/zinc/51/49/05/822514905.db2.gz VPQNBMRJGBRUCQ-LJQANCHMSA-N 1 1 391.309 4.124 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(OC)ccc1O ZINC000179630050 822516025 /nfs/dbraw/zinc/51/60/25/822516025.db2.gz ICXPMIISUUIPOL-UHFFFAOYSA-N 1 1 383.275 4.168 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(OC)ccc1O ZINC000179630050 822516027 /nfs/dbraw/zinc/51/60/27/822516027.db2.gz ICXPMIISUUIPOL-UHFFFAOYSA-N 1 1 383.275 4.168 20 0 GIADMO CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1OC ZINC000183717059 822516009 /nfs/dbraw/zinc/51/60/09/822516009.db2.gz OMSNCZYBPIYDAD-CYBMUJFWSA-N 1 1 379.298 4.444 20 0 GIADMO C[N@@H+]1CCC[C@H](CNCc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719195 822516439 /nfs/dbraw/zinc/51/64/39/822516439.db2.gz JGVOWNQYJMRUBJ-RHSMWYFYSA-N 1 1 380.355 4.078 20 0 GIADMO C[N@H+]1CCC[C@H](CNCc2cncc(Br)c2)[C@@H]1c1cccs1 ZINC000183719195 822516443 /nfs/dbraw/zinc/51/64/43/822516443.db2.gz JGVOWNQYJMRUBJ-RHSMWYFYSA-N 1 1 380.355 4.078 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)C1 ZINC000179637882 822517675 /nfs/dbraw/zinc/51/76/75/822517675.db2.gz JZFAMUPHBUCYEX-SFHVURJKSA-N 1 1 393.531 4.484 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000179639583 822517858 /nfs/dbraw/zinc/51/78/58/822517858.db2.gz DKPYPDJJAVWAJF-MRXNPFEDSA-N 1 1 380.517 4.124 20 0 GIADMO CN(Cc1ccco1)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046804260 822519105 /nfs/dbraw/zinc/51/91/05/822519105.db2.gz YDCYHDZYEQPPBI-FQEVSTJZSA-N 1 1 395.528 4.282 20 0 GIADMO CN(Cc1ccco1)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046804260 822519109 /nfs/dbraw/zinc/51/91/09/822519109.db2.gz YDCYHDZYEQPPBI-FQEVSTJZSA-N 1 1 395.528 4.282 20 0 GIADMO CCN(CC(=O)Nc1c(C)cccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183748686 822521797 /nfs/dbraw/zinc/52/17/97/822521797.db2.gz TVLGNNLHNBHINS-LJQANCHMSA-N 1 1 385.939 4.183 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1Cl ZINC000183751421 822522121 /nfs/dbraw/zinc/52/21/21/822522121.db2.gz ICCHOGDIJPVCMV-BLLLJJGKSA-N 1 1 379.287 4.284 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000046857519 822524989 /nfs/dbraw/zinc/52/49/89/822524989.db2.gz FFIVPXCGTUUEEB-OAHLLOKOSA-N 1 1 387.549 4.188 20 0 GIADMO O=C(NCc1ccc(C(F)F)cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000183779523 822527434 /nfs/dbraw/zinc/52/74/34/822527434.db2.gz PIFAKDSMIJIRRA-UHFFFAOYSA-N 1 1 391.487 4.495 20 0 GIADMO Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2nnc4ccccn42)CCC3)cc1 ZINC000183783192 822527862 /nfs/dbraw/zinc/52/78/62/822527862.db2.gz KKOOOBPMERMTEG-HNNXBMFYSA-N 1 1 379.464 4.159 20 0 GIADMO Cc1cc(N2CCC(NC(=O)N(CC(C)(C)C)CC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000183784963 822528089 /nfs/dbraw/zinc/52/80/89/822528089.db2.gz HGKIZLJAZJCARH-UHFFFAOYSA-N 1 1 389.588 4.166 20 0 GIADMO C[C@H](CNC(=O)N(C)Cc1ccc(Cl)s1)[N@@H+]1CCc2sccc2C1 ZINC000046908102 822529135 /nfs/dbraw/zinc/52/91/35/822529135.db2.gz OFCJZBVYFHTMJG-GFCCVEGCSA-N 1 1 383.970 4.051 20 0 GIADMO C[C@H](CNC(=O)N(C)Cc1ccc(Cl)s1)[N@H+]1CCc2sccc2C1 ZINC000046908102 822529140 /nfs/dbraw/zinc/52/91/40/822529140.db2.gz OFCJZBVYFHTMJG-GFCCVEGCSA-N 1 1 383.970 4.051 20 0 GIADMO C[C@H](NC(=O)NC[C@H]1CCCCC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454760677 822529401 /nfs/dbraw/zinc/52/94/01/822529401.db2.gz DBIUZNQEQGWHGU-YTQUADARSA-N 1 1 379.495 4.022 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2nccn2C(C)C)ccc1OCc1ccncc1 ZINC000179702290 822530904 /nfs/dbraw/zinc/53/09/04/822530904.db2.gz JRPVKUBNOOSJTI-KRWDZBQOSA-N 1 1 380.492 4.297 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCC(C)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000454776990 822531908 /nfs/dbraw/zinc/53/19/08/822531908.db2.gz UGTIJKJXOHVNKG-DLBZAZTESA-N 1 1 389.437 4.223 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)NCCCC(C)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000454776990 822531911 /nfs/dbraw/zinc/53/19/11/822531911.db2.gz UGTIJKJXOHVNKG-DLBZAZTESA-N 1 1 389.437 4.223 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454777953 822532178 /nfs/dbraw/zinc/53/21/78/822532178.db2.gz VEJCZFUGIBWNNP-NEPXVJNWSA-N 1 1 397.485 4.269 20 0 GIADMO Brc1ccc2[nH]c(C[NH2+]Cc3ccn(-c4ccccc4)n3)cc2c1 ZINC000183823938 822532504 /nfs/dbraw/zinc/53/25/04/822532504.db2.gz RLCSRBGEJJTFQH-UHFFFAOYSA-N 1 1 381.277 4.406 20 0 GIADMO CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934330 822532569 /nfs/dbraw/zinc/53/25/69/822532569.db2.gz NKCCFLQKHHIIHM-MMTNMYCKSA-N 1 1 391.515 4.034 20 0 GIADMO CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934331 822532625 /nfs/dbraw/zinc/53/26/25/822532625.db2.gz NKCCFLQKHHIIHM-OYADDEIPSA-N 1 1 391.515 4.034 20 0 GIADMO CC[C@H]([NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1)c1ccccc1OC(F)F ZINC000179724030 822535560 /nfs/dbraw/zinc/53/55/60/822535560.db2.gz KXNKZDIZRWERLV-ZDUSSCGKSA-N 1 1 393.459 4.444 20 0 GIADMO COCc1c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)sc2cccc(F)c21 ZINC000046991391 822536303 /nfs/dbraw/zinc/53/63/03/822536303.db2.gz JVLDUEFPGNFTTF-OAHLLOKOSA-N 1 1 392.540 4.429 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000047010927 822537631 /nfs/dbraw/zinc/53/76/31/822537631.db2.gz MEMUPJHESXHHKN-HOCLYGCPSA-N 1 1 375.563 4.103 20 0 GIADMO C[C@@H](CNC(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCc2sccc2C1 ZINC000047010927 822537633 /nfs/dbraw/zinc/53/76/33/822537633.db2.gz MEMUPJHESXHHKN-HOCLYGCPSA-N 1 1 375.563 4.103 20 0 GIADMO CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1OC ZINC000179737318 822539127 /nfs/dbraw/zinc/53/91/27/822539127.db2.gz RAZNKTBDRZSWPF-AWEZNQCLSA-N 1 1 398.931 4.094 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)oc1-c1ccc(Cl)cc1 ZINC000183877428 822539437 /nfs/dbraw/zinc/53/94/37/822539437.db2.gz CDTNWZVGJDBYDD-INIZCTEOSA-N 1 1 376.884 4.278 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)co2)cc1 ZINC000179739958 822539823 /nfs/dbraw/zinc/53/98/23/822539823.db2.gz QSTOIPGUHPWRTJ-JOCHJYFZSA-N 1 1 392.455 4.362 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(CSC(F)F)o2)C1 ZINC000179741300 822540634 /nfs/dbraw/zinc/54/06/34/822540634.db2.gz AISYPLOOZZLINN-LBPRGKRZSA-N 1 1 376.469 4.082 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183897069 822542206 /nfs/dbraw/zinc/54/22/06/822542206.db2.gz KEJCRZQTWKEKEO-GOSISDBHSA-N 1 1 388.552 4.347 20 0 GIADMO CCCn1ccc2ccc(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4CCOC)cc21 ZINC000454832242 822542502 /nfs/dbraw/zinc/54/25/02/822542502.db2.gz SBNRZTPUVZACQZ-WCRBZPEASA-N 1 1 398.551 4.157 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[NH2+][C@H](CCCO)c3ccccc3)cs2)c1 ZINC000179750885 822542625 /nfs/dbraw/zinc/54/26/25/822542625.db2.gz KAQKMUBYOVCTHU-HXUWFJFHSA-N 1 1 396.512 4.200 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000179758356 822544661 /nfs/dbraw/zinc/54/46/61/822544661.db2.gz FIZFNOJKGXCIAV-LJQANCHMSA-N 1 1 396.531 4.320 20 0 GIADMO CCn1c(C[NH+]2CCC(OCc3ccccc3OC)CC2)nc2cc(F)ccc21 ZINC000179759138 822544877 /nfs/dbraw/zinc/54/48/77/822544877.db2.gz UZTVWEKHCHWCAL-UHFFFAOYSA-N 1 1 397.494 4.385 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(-c2ccccc2)no1 ZINC000179767316 822547953 /nfs/dbraw/zinc/54/79/53/822547953.db2.gz YYHZPISCZXTKOL-XOBRGWDASA-N 1 1 377.444 4.310 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)s1 ZINC000183928848 822548721 /nfs/dbraw/zinc/54/87/21/822548721.db2.gz GFMMCOMZQWWIAL-HNNXBMFYSA-N 1 1 395.475 4.073 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000047174487 822551104 /nfs/dbraw/zinc/55/11/04/822551104.db2.gz SJUWWLNKRQOIMH-UHFFFAOYSA-N 1 1 378.379 4.440 20 0 GIADMO COc1ccc(CC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1OC ZINC000047190863 822552745 /nfs/dbraw/zinc/55/27/45/822552745.db2.gz JPFKQOBSEXRIEC-KRWDZBQOSA-N 1 1 382.504 4.259 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000179787797 822553188 /nfs/dbraw/zinc/55/31/88/822553188.db2.gz FLNLVCBYBUOPEF-UHFFFAOYSA-N 1 1 383.389 4.098 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000179787797 822553191 /nfs/dbraw/zinc/55/31/91/822553191.db2.gz FLNLVCBYBUOPEF-UHFFFAOYSA-N 1 1 383.389 4.098 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000454901091 822553395 /nfs/dbraw/zinc/55/33/95/822553395.db2.gz NLWXUCYXKOINSJ-JCNLHEQBSA-N 1 1 383.458 4.125 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c2nccs2)c(Br)c1 ZINC000183973164 822556151 /nfs/dbraw/zinc/55/61/51/822556151.db2.gz ZFUFJUQWHMETNK-CHWSQXEVSA-N 1 1 396.354 4.277 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)c2nccs2)c(Br)c1 ZINC000183973164 822556154 /nfs/dbraw/zinc/55/61/54/822556154.db2.gz ZFUFJUQWHMETNK-CHWSQXEVSA-N 1 1 396.354 4.277 20 0 GIADMO COc1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1OC(=O)C1CC1 ZINC000179803767 822556261 /nfs/dbraw/zinc/55/62/61/822556261.db2.gz KJSUXTGTFRRKQR-UHFFFAOYSA-N 1 1 379.456 4.006 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1 ZINC000183987286 822558508 /nfs/dbraw/zinc/55/85/08/822558508.db2.gz MZDYKZBJIPHUBB-QGZVFWFLSA-N 1 1 395.528 4.396 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1nccs1 ZINC000183987286 822558511 /nfs/dbraw/zinc/55/85/11/822558511.db2.gz MZDYKZBJIPHUBB-QGZVFWFLSA-N 1 1 395.528 4.396 20 0 GIADMO CC(=O)N1CCC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000179816250 822558670 /nfs/dbraw/zinc/55/86/70/822558670.db2.gz FAKOSYDRMUVLFB-UHFFFAOYSA-N 1 1 388.943 4.013 20 0 GIADMO CC(=O)N1CCC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000179816250 822558673 /nfs/dbraw/zinc/55/86/73/822558673.db2.gz FAKOSYDRMUVLFB-UHFFFAOYSA-N 1 1 388.943 4.013 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(OCC(F)(F)F)cc1 ZINC000047265770 822559888 /nfs/dbraw/zinc/55/98/88/822559888.db2.gz YTEHNQMXDAEQPD-UHFFFAOYSA-N 1 1 386.801 4.352 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(OCC(F)(F)F)cc1 ZINC000047265770 822559891 /nfs/dbraw/zinc/55/98/91/822559891.db2.gz YTEHNQMXDAEQPD-UHFFFAOYSA-N 1 1 386.801 4.352 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCc2ccc3[nH]ccc3c2)C[C@@H](C)O1 ZINC000179847867 822565574 /nfs/dbraw/zinc/56/55/74/822565574.db2.gz KJKNPPHXUNJGAY-QZTJIDSGSA-N 1 1 391.515 4.348 20 0 GIADMO Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1ccc(N2CCSCC2)cc1 ZINC000184021242 822565616 /nfs/dbraw/zinc/56/56/16/822565616.db2.gz ARONMLCTCXJNHH-QHCPKHFHSA-N 1 1 397.588 4.034 20 0 GIADMO CCOc1c(OC)cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1OC ZINC000179880040 822570517 /nfs/dbraw/zinc/57/05/17/822570517.db2.gz HDGQENRYJOBSSK-UHFFFAOYSA-N 1 1 383.488 4.197 20 0 GIADMO O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000047405817 822575728 /nfs/dbraw/zinc/57/57/28/822575728.db2.gz ZVVKLMMLDHSVHL-SNVBAGLBSA-N 1 1 377.699 4.086 20 0 GIADMO CCOCc1cc(C[N@H+](CC)CC(=O)Nc2c(C)cccc2C)ccc1OC ZINC000179916551 822576431 /nfs/dbraw/zinc/57/64/31/822576431.db2.gz FAJUBJZIISTMOE-UHFFFAOYSA-N 1 1 384.520 4.309 20 0 GIADMO CCOCc1cc(C[N@@H+](CC)CC(=O)Nc2c(C)cccc2C)ccc1OC ZINC000179916551 822576435 /nfs/dbraw/zinc/57/64/35/822576435.db2.gz FAJUBJZIISTMOE-UHFFFAOYSA-N 1 1 384.520 4.309 20 0 GIADMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000179931654 822579279 /nfs/dbraw/zinc/57/92/79/822579279.db2.gz KGGRBCNPBPXIMZ-KRWDZBQOSA-N 1 1 377.960 4.069 20 0 GIADMO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000179939424 822581179 /nfs/dbraw/zinc/58/11/79/822581179.db2.gz AHAFRHRJNXUHKT-AWEZNQCLSA-N 1 1 396.350 4.354 20 0 GIADMO Cc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000179939424 822581183 /nfs/dbraw/zinc/58/11/83/822581183.db2.gz AHAFRHRJNXUHKT-AWEZNQCLSA-N 1 1 396.350 4.354 20 0 GIADMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1cccc(C(N)=O)c1 ZINC000047461632 822581455 /nfs/dbraw/zinc/58/14/55/822581455.db2.gz QOJHPYVDKIYYSH-UHFFFAOYSA-N 1 1 396.494 4.270 20 0 GIADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000047461695 822581487 /nfs/dbraw/zinc/58/14/87/822581487.db2.gz RWXMNOMSIMAJPM-QGZVFWFLSA-N 1 1 387.483 4.231 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(Br)c2cccnc12 ZINC000179941605 822581894 /nfs/dbraw/zinc/58/18/94/822581894.db2.gz OGBMNWGKWMEUCP-UHFFFAOYSA-N 1 1 384.277 4.068 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(Br)c2cccnc12 ZINC000179941605 822581895 /nfs/dbraw/zinc/58/18/95/822581895.db2.gz OGBMNWGKWMEUCP-UHFFFAOYSA-N 1 1 384.277 4.068 20 0 GIADMO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000455056205 822581996 /nfs/dbraw/zinc/58/19/96/822581996.db2.gz LGADOZQRMHLOJE-NZUILWFCSA-N 1 1 382.335 4.023 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@H](F)C2)cc1)C[C@@H]1CCCCO1 ZINC000455073342 822585052 /nfs/dbraw/zinc/58/50/52/822585052.db2.gz HJEDPNFHHCRTJG-ICSRJNTNSA-N 1 1 377.504 4.042 20 0 GIADMO Cn1cc([C@@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)c2cccc(F)c2)cn1 ZINC000179961106 822586063 /nfs/dbraw/zinc/58/60/63/822586063.db2.gz NXRHUXKCWDLPTQ-CTNGQTDRSA-N 1 1 384.524 4.137 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 ZINC000047522626 822586887 /nfs/dbraw/zinc/58/68/87/822586887.db2.gz YDHSTOISYJSQFQ-QGZVFWFLSA-N 1 1 399.560 4.271 20 0 GIADMO Cc1cc(C)nc(SCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000047522222 822586916 /nfs/dbraw/zinc/58/69/16/822586916.db2.gz GKRWHCFZLTUAPG-KRWDZBQOSA-N 1 1 384.549 4.199 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC[N@H+](C2CCC2)C1 ZINC000455115609 822591108 /nfs/dbraw/zinc/59/11/08/822591108.db2.gz VSBPIVOWBZLFOY-LBPRGKRZSA-N 1 1 387.858 4.280 20 0 GIADMO Cc1cccc(NC(=S)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000047567413 822591441 /nfs/dbraw/zinc/59/14/41/822591441.db2.gz AOCYVLLOGLBGFL-HDICACEKSA-N 1 1 383.561 4.091 20 0 GIADMO CC(F)(F)CCNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000455128978 822593703 /nfs/dbraw/zinc/59/37/03/822593703.db2.gz APFFLOFLLCOAOM-UHFFFAOYSA-N 1 1 385.458 4.129 20 0 GIADMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(-c4cccs4)on3)ccc2NC1=O ZINC000180006492 822594544 /nfs/dbraw/zinc/59/45/44/822594544.db2.gz XVEGWTVZUPQNKI-LRDDRELGSA-N 1 1 383.473 4.363 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(-c4cccs4)on3)ccc2NC1=O ZINC000180006448 822594555 /nfs/dbraw/zinc/59/45/55/822594555.db2.gz XVEGWTVZUPQNKI-MLGOLLRUSA-N 1 1 383.473 4.363 20 0 GIADMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(-c4ccc(F)cc4)n3)ccc2NC1=O ZINC000180010380 822595846 /nfs/dbraw/zinc/59/58/46/822595846.db2.gz WYRBAMOMQOBHDZ-ORAYPTAESA-N 1 1 395.434 4.441 20 0 GIADMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3coc(-c4cccs4)n3)ccc2NC1=O ZINC000180010878 822596004 /nfs/dbraw/zinc/59/60/04/822596004.db2.gz KFCRQLOSXHDJHJ-WBMJQRKESA-N 1 1 383.473 4.363 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)c1nc2ccc(Cl)cc2n1C ZINC000180017583 822597472 /nfs/dbraw/zinc/59/74/72/822597472.db2.gz PCCAVHLXMSTPBQ-AWEZNQCLSA-N 1 1 382.895 4.204 20 0 GIADMO CCn1nccc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000180019375 822597901 /nfs/dbraw/zinc/59/79/01/822597901.db2.gz CKWKCSPFQDMOFN-UHFFFAOYSA-N 1 1 385.533 4.227 20 0 GIADMO CCn1nccc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000180019375 822597905 /nfs/dbraw/zinc/59/79/05/822597905.db2.gz CKWKCSPFQDMOFN-UHFFFAOYSA-N 1 1 385.533 4.227 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000184228502 822599686 /nfs/dbraw/zinc/59/96/86/822599686.db2.gz RVLGOWSDGAPTPJ-KKSFZXQISA-N 1 1 391.508 4.081 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000184228502 822599687 /nfs/dbraw/zinc/59/96/87/822599687.db2.gz RVLGOWSDGAPTPJ-KKSFZXQISA-N 1 1 391.508 4.081 20 0 GIADMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000184231562 822600255 /nfs/dbraw/zinc/60/02/55/822600255.db2.gz LQTMNNGIJGSILX-UHFFFAOYSA-N 1 1 396.535 4.017 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc(F)cc1Cl ZINC000047715224 822603127 /nfs/dbraw/zinc/60/31/27/822603127.db2.gz JRYJOBREVNOONJ-UHFFFAOYSA-N 1 1 382.813 4.152 20 0 GIADMO COc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1OC(F)F ZINC000180048446 822604171 /nfs/dbraw/zinc/60/41/71/822604171.db2.gz KKQAJQAISYQWNU-IBGZPJMESA-N 1 1 391.393 4.048 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180049861 822604468 /nfs/dbraw/zinc/60/44/68/822604468.db2.gz PJXNJNZWQUNZAA-CYBMUJFWSA-N 1 1 383.858 4.402 20 0 GIADMO O=c1cc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)nc2sccn21 ZINC000180074036 822610096 /nfs/dbraw/zinc/61/00/96/822610096.db2.gz LYUKKVLSMJDQAG-MRXNPFEDSA-N 1 1 379.407 4.016 20 0 GIADMO CCC[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C)C(=O)N1CCc2sccc2C1 ZINC000180084956 822612099 /nfs/dbraw/zinc/61/20/99/822612099.db2.gz AAEVSLVUKHUUMI-QAPCUYQASA-N 1 1 396.560 4.039 20 0 GIADMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(Oc2nncc3ccccc32)cc1 ZINC000184316582 822613551 /nfs/dbraw/zinc/61/35/51/822613551.db2.gz MBQCHVSTVRKXQQ-UHFFFAOYSA-N 1 1 385.427 4.135 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180108837 822617109 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Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(C2SCCCS2)cc1 ZINC000047938106 822621068 /nfs/dbraw/zinc/62/10/68/822621068.db2.gz DIIUMBZVEYOVMG-AWEZNQCLSA-N 1 1 375.563 4.126 20 0 GIADMO O=C(C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1)N1CCCCCC1 ZINC000047957494 822622384 /nfs/dbraw/zinc/62/23/84/822622384.db2.gz YZIJNYUNSDTPJW-UHFFFAOYSA-N 1 1 397.588 4.349 20 0 GIADMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1NC(=O)CC(C)C ZINC000180136467 822623697 /nfs/dbraw/zinc/62/36/97/822623697.db2.gz FQULYSJYYKFZDU-JTHBVZDNSA-N 1 1 393.531 4.155 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1cc2ccccc2s1 ZINC000184378978 822624924 /nfs/dbraw/zinc/62/49/24/822624924.db2.gz URLMVGDEEYOXNZ-CQSZACIVSA-N 1 1 390.530 4.130 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)c2cccc(F)c2)cn1 ZINC000180144048 822625793 /nfs/dbraw/zinc/62/57/93/822625793.db2.gz IECZFRDSUFHHGB-HSZRJFAPSA-N 1 1 393.510 4.214 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1nc(C)cs1 ZINC000184383629 822625821 /nfs/dbraw/zinc/62/58/21/822625821.db2.gz VBOFDBFTBXYBOX-LLVKDONJSA-N 1 1 397.426 4.026 20 0 GIADMO COc1cc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1C ZINC000455282876 822626376 /nfs/dbraw/zinc/62/63/76/822626376.db2.gz LOXGKNDLZDIZCA-KRWDZBQOSA-N 1 1 381.520 4.298 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(C(C)=O)c1)[NH+]1CCCCC1 ZINC000048051892 822627213 /nfs/dbraw/zinc/62/72/13/822627213.db2.gz YKDVMPJTEOCBAI-OAQYLSRUSA-N 1 1 395.503 4.247 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 ZINC000048085007 822630538 /nfs/dbraw/zinc/63/05/38/822630538.db2.gz IZXTVPKNFNLNOK-UHFFFAOYSA-N 1 1 389.931 4.110 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000184415164 822630966 /nfs/dbraw/zinc/63/09/66/822630966.db2.gz INTQNWZHDJSVDO-UHFFFAOYSA-N 1 1 393.531 4.129 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)c1nc(C)cs1 ZINC000184418530 822631523 /nfs/dbraw/zinc/63/15/23/822631523.db2.gz RSYIAWCXFFTABV-ZDUSSCGKSA-N 1 1 382.327 4.202 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](CC(=O)OC(C)C)C3)n2)cc1F ZINC000184471632 822641910 /nfs/dbraw/zinc/64/19/10/822641910.db2.gz GBPFGJDUGXGVDM-HZPDHXFCSA-N 1 1 389.471 4.299 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](CC(=O)OC(C)C)C3)n2)cc1F ZINC000184471632 822641912 /nfs/dbraw/zinc/64/19/12/822641912.db2.gz GBPFGJDUGXGVDM-HZPDHXFCSA-N 1 1 389.471 4.299 20 0 GIADMO O=C(CCCCC(=O)c1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000048182930 822642914 /nfs/dbraw/zinc/64/29/14/822642914.db2.gz BNVQJMXFFACEIC-HXUWFJFHSA-N 1 1 382.504 4.366 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Cc2csc(-c3cccc(F)c3)n2)C1 ZINC000048237336 822647218 /nfs/dbraw/zinc/64/72/18/822647218.db2.gz ILGJDPHEUCMVQS-INIZCTEOSA-N 1 1 389.540 4.120 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000048236985 822647283 /nfs/dbraw/zinc/64/72/83/822647283.db2.gz WEBMXXUIJKJSSR-MRXNPFEDSA-N 1 1 389.540 4.263 20 0 GIADMO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCC2(F)F)C[N@H+]1Cc1ccccc1 ZINC000455405169 822647627 /nfs/dbraw/zinc/64/76/27/822647627.db2.gz GRYIKRHUMIZFLF-QRQLOZEOSA-N 1 1 379.495 4.022 20 0 GIADMO OCC[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccco1 ZINC000184517147 822649345 /nfs/dbraw/zinc/64/93/45/822649345.db2.gz QHEOLXBPEBLWBA-ZFWWWQNUSA-N 1 1 397.315 4.365 20 0 GIADMO C[C@@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1nc(-c2ccccc2)cs1 ZINC000184521839 822650138 /nfs/dbraw/zinc/65/01/38/822650138.db2.gz VRYWXBDBLUPUHS-CYBMUJFWSA-N 1 1 387.455 4.055 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000184521288 822650148 /nfs/dbraw/zinc/65/01/48/822650148.db2.gz YJFLWDIDGSLIHA-QAPCUYQASA-N 1 1 393.512 4.101 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(c2ccc(F)cc2F)CCC1 ZINC000180261922 822650175 /nfs/dbraw/zinc/65/01/75/822650175.db2.gz FVVOEJGZDPNEED-LJQANCHMSA-N 1 1 398.497 4.067 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000180262574 822650407 /nfs/dbraw/zinc/65/04/07/822650407.db2.gz DMUPLQKADZCOSL-UHFFFAOYSA-N 1 1 399.362 4.034 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc4nc(C(F)F)sc4c3)C2)C1 ZINC000455430932 822652443 /nfs/dbraw/zinc/65/24/43/822652443.db2.gz JMCZVGRLQYKMFL-GOSISDBHSA-N 1 1 380.464 4.184 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180275565 822652704 /nfs/dbraw/zinc/65/27/04/822652704.db2.gz UIKPDCXMXCNBOL-HXUWFJFHSA-N 1 1 392.547 4.055 20 0 GIADMO O=C(O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2cncnc2)cc1F ZINC000184534509 822652789 /nfs/dbraw/zinc/65/27/89/822652789.db2.gz YUUWIVRXDGCYAH-HXUWFJFHSA-N 1 1 391.446 4.104 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cc3noc4ccccc34)cc2)C1 ZINC000048310893 822653039 /nfs/dbraw/zinc/65/30/39/822653039.db2.gz FBTMCQRXFQATAB-HDICACEKSA-N 1 1 391.515 4.165 20 0 GIADMO CCOCc1cc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180280554 822654021 /nfs/dbraw/zinc/65/40/21/822654021.db2.gz IASRRNUCWSCFAY-QMTYFTJSSA-N 1 1 375.534 4.162 20 0 GIADMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc3nc(-c4ccccn4)oc3c1)C2 ZINC000180287512 822655987 /nfs/dbraw/zinc/65/59/87/822655987.db2.gz BIBTZPHNDWTKGT-ALOPSCKCSA-N 1 1 391.475 4.027 20 0 GIADMO C[C@H](Oc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)C(F)(F)F ZINC000455451723 822657017 /nfs/dbraw/zinc/65/70/17/822657017.db2.gz UGJDVSZTVKLTBV-GJZGRUSLSA-N 1 1 399.457 4.354 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184559079 822657170 /nfs/dbraw/zinc/65/71/70/822657170.db2.gz WKULXGMSBTYBHJ-SFTDATJTSA-N 1 1 397.567 4.030 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000048402262 822659945 /nfs/dbraw/zinc/65/99/45/822659945.db2.gz YKISWWDVHOOGFC-UHFFFAOYSA-N 1 1 385.321 4.172 20 0 GIADMO COCC[N@@H+]1CCCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000048427015 822661377 /nfs/dbraw/zinc/66/13/77/822661377.db2.gz QGLGTSRLQDFVIJ-UHFFFAOYSA-N 1 1 387.332 4.002 20 0 GIADMO COCC[N@H+]1CCCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000048427015 822661380 /nfs/dbraw/zinc/66/13/80/822661380.db2.gz QGLGTSRLQDFVIJ-UHFFFAOYSA-N 1 1 387.332 4.002 20 0 GIADMO C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000455482509 822663233 /nfs/dbraw/zinc/66/32/33/822663233.db2.gz WIGAHCZUCRIQFD-WCSCSJSISA-N 1 1 395.469 4.423 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)n1 ZINC000455483044 822663239 /nfs/dbraw/zinc/66/32/39/822663239.db2.gz PVVHBRRPZYRWOM-UHFFFAOYSA-N 1 1 380.536 4.383 20 0 GIADMO CC[NH+]1CCN(c2ccc(C(=O)Nc3c(F)cc(Cl)cc3F)cc2F)CC1 ZINC000180327870 822664195 /nfs/dbraw/zinc/66/41/95/822664195.db2.gz QNXKEDXRMJOEAN-UHFFFAOYSA-N 1 1 397.828 4.152 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(Br)c(F)c2)c2cccc(F)c2)cn1 ZINC000180330385 822664644 /nfs/dbraw/zinc/66/46/44/822664644.db2.gz RXBULHRNCOMFKS-GOSISDBHSA-N 1 1 392.247 4.340 20 0 GIADMO COc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C(F)(F)F)c1 ZINC000048549225 822671406 /nfs/dbraw/zinc/67/14/06/822671406.db2.gz CDDAYLDKVLBLPJ-AWEZNQCLSA-N 1 1 387.446 4.348 20 0 GIADMO Cc1c(-c2cc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)on2)cnn1C ZINC000184656458 822671542 /nfs/dbraw/zinc/67/15/42/822671542.db2.gz FZMQPKFFEGFTEY-QFIPXVFZSA-N 1 1 376.435 4.402 20 0 GIADMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CCc3ccc4[nH]ccc4c3)CC2)c1 ZINC000180389774 822674491 /nfs/dbraw/zinc/67/44/91/822674491.db2.gz VANYYBHODQFPSL-GOSISDBHSA-N 1 1 391.515 4.015 20 0 GIADMO COc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc(OC)c1C ZINC000455583732 822678627 /nfs/dbraw/zinc/67/86/27/822678627.db2.gz ZWBBDSFGVOQJCL-SJLPKXTDSA-N 1 1 389.540 4.131 20 0 GIADMO Cc1c[nH+]c(NCc2ccc([C@@H](C)O)cc2)nc1NCc1ccc([C@@H](C)O)cc1 ZINC000180429986 822680251 /nfs/dbraw/zinc/68/02/51/822680251.db2.gz FQLXSQFJLJEBRX-IAGOWNOFSA-N 1 1 392.503 4.116 20 0 GIADMO C[C@@H]1C[C@@H](CCNC(=O)NCCC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000455593286 822680466 /nfs/dbraw/zinc/68/04/66/822680466.db2.gz HCZDJULLVAHPIR-SJLPKXTDSA-N 1 1 379.495 4.022 20 0 GIADMO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000048748097 822681000 /nfs/dbraw/zinc/68/10/00/822681000.db2.gz LZDWIZFTKZZSTG-UHFFFAOYSA-N 1 1 386.398 4.101 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c(C)c2)cc1 ZINC000180435587 822681301 /nfs/dbraw/zinc/68/13/01/822681301.db2.gz YCJLIBPZJULIGX-GOSISDBHSA-N 1 1 376.504 4.499 20 0 GIADMO CCCOc1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)ccc1OC ZINC000048776489 822682177 /nfs/dbraw/zinc/68/21/77/822682177.db2.gz RWUBTUNBCOEINA-UHFFFAOYSA-N 1 1 391.515 4.448 20 0 GIADMO C[C@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1)CN1CCN(C)CC1 ZINC000180439847 822682417 /nfs/dbraw/zinc/68/24/17/822682417.db2.gz RVFKBJWTGOOXBU-VGSWGCGISA-N 1 1 389.946 4.042 20 0 GIADMO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cc2c(cc1Br)OCCO2 ZINC000048786346 822683262 /nfs/dbraw/zinc/68/32/62/822683262.db2.gz WBKIUJORTRIDAN-GFCCVEGCSA-N 1 1 394.313 4.023 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000180446236 822683396 /nfs/dbraw/zinc/68/33/96/822683396.db2.gz MNMQYTUSIMITOR-HTAPYJJXSA-N 1 1 382.504 4.221 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@@H](C)O1 ZINC000048816670 822684458 /nfs/dbraw/zinc/68/44/58/822684458.db2.gz YNJNHUOPJZCXTC-IAGOWNOFSA-N 1 1 396.560 4.037 20 0 GIADMO COCc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000048826036 822684959 /nfs/dbraw/zinc/68/49/59/822684959.db2.gz FGRIMJNJZDSRHR-LJQANCHMSA-N 1 1 395.547 4.207 20 0 GIADMO COC[C@H]([NH2+]Cc1cc(Br)cc2cccnc21)c1ccc(C)o1 ZINC000184751210 822685802 /nfs/dbraw/zinc/68/58/02/822685802.db2.gz UWEOFPLHRSZNJB-INIZCTEOSA-N 1 1 375.266 4.376 20 0 GIADMO CCC[C@H]1C[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCO1 ZINC000180471541 822687924 /nfs/dbraw/zinc/68/79/24/822687924.db2.gz YLYPZEMUZMZGNT-BXXSPATCSA-N 1 1 384.564 4.095 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000455640030 822688901 /nfs/dbraw/zinc/68/89/01/822688901.db2.gz NTXCTWZYWBSCAC-LBPRGKRZSA-N 1 1 393.837 4.434 20 0 GIADMO c1ccc2c(c1)nc(C[NH2+]Cc1ccc(OC[C@H]3CCCO3)cc1)n2C1CC1 ZINC000184780208 822690034 /nfs/dbraw/zinc/69/00/34/822690034.db2.gz ONAFNQCGFCLXQK-HXUWFJFHSA-N 1 1 377.488 4.219 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000184783233 822690293 /nfs/dbraw/zinc/69/02/93/822690293.db2.gz HOOIRJBWVJRMSG-LJQANCHMSA-N 1 1 393.531 4.085 20 0 GIADMO COC(=O)c1coc(C[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1 ZINC000184793876 822691881 /nfs/dbraw/zinc/69/18/81/822691881.db2.gz WKNHQTJVYGFVMP-GFCCVEGCSA-N 1 1 386.473 4.358 20 0 GIADMO CSCc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000184797863 822692270 /nfs/dbraw/zinc/69/22/70/822692270.db2.gz GQVFAGHRPHQSKA-UHFFFAOYSA-N 1 1 387.524 4.429 20 0 GIADMO CSCc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000184797863 822692272 /nfs/dbraw/zinc/69/22/72/822692272.db2.gz GQVFAGHRPHQSKA-UHFFFAOYSA-N 1 1 387.524 4.429 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455657786 822693258 /nfs/dbraw/zinc/69/32/58/822693258.db2.gz DGMUZWSTOONMNB-SIKLNZKXSA-N 1 1 393.531 4.176 20 0 GIADMO O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000455660513 822693865 /nfs/dbraw/zinc/69/38/65/822693865.db2.gz HZNLGCZEVUJICA-NRFANRHFSA-N 1 1 385.552 4.310 20 0 GIADMO CC[C@H]1C[C@@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCO1 ZINC000180530438 822697093 /nfs/dbraw/zinc/69/70/93/822697093.db2.gz VMRUSTQITSVYAN-OALUTQOASA-N 1 1 390.527 4.106 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@H](C)c2ccc(Cl)nc2)cc1OC ZINC000180543847 822699522 /nfs/dbraw/zinc/69/95/22/822699522.db2.gz LJMYXBYHNIQHRU-SNVBAGLBSA-N 1 1 385.689 4.366 20 0 GIADMO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)[C@H](C)C1 ZINC000180550702 822700612 /nfs/dbraw/zinc/70/06/12/822700612.db2.gz SKOHVGZUHXJIKM-KNKQGSTJSA-N 1 1 383.580 4.060 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)c3ccc([C@H](C)C(F)(F)F)cc3)CC2)[nH+]1 ZINC000455689005 822702176 /nfs/dbraw/zinc/70/21/76/822702176.db2.gz SOHGTAFVJBWQRS-HNNXBMFYSA-N 1 1 391.437 4.455 20 0 GIADMO Cc1ccc(F)c(Br)c1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000455700214 822706125 /nfs/dbraw/zinc/70/61/25/822706125.db2.gz VBLRGNWQSFKBND-GFCCVEGCSA-N 1 1 398.320 4.235 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2OCCF)C1 ZINC000455709529 822709214 /nfs/dbraw/zinc/70/92/14/822709214.db2.gz CJPFVERYFDOMHQ-MSOLQXFVSA-N 1 1 377.504 4.153 20 0 GIADMO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000180602279 822709318 /nfs/dbraw/zinc/70/93/18/822709318.db2.gz HCOTUXYFGZPJIZ-MOPGFXCFSA-N 1 1 392.540 4.205 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cn(C)nc2C2CCCCC2)c1 ZINC000455709708 822709511 /nfs/dbraw/zinc/70/95/11/822709511.db2.gz IACNSQCOQIPDLK-UHFFFAOYSA-N 1 1 383.540 4.241 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1OCC ZINC000049944267 822712119 /nfs/dbraw/zinc/71/21/19/822712119.db2.gz GCCRYBPFMIRDRQ-MRXNPFEDSA-N 1 1 394.899 4.153 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)COc3ccccc3-c3ccccc3)sc2C1 ZINC000049951524 822712507 /nfs/dbraw/zinc/71/25/07/822712507.db2.gz HGVDZLGOMHNTPV-UHFFFAOYSA-N 1 1 393.512 4.206 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)COc3ccccc3-c3ccccc3)sc2C1 ZINC000049951524 822712510 /nfs/dbraw/zinc/71/25/10/822712510.db2.gz HGVDZLGOMHNTPV-UHFFFAOYSA-N 1 1 393.512 4.206 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2cn(C)nc2C2CCCCC2)C1 ZINC000455719267 822712873 /nfs/dbraw/zinc/71/28/73/822712873.db2.gz SYUCEORWJBHZLX-QGZVFWFLSA-N 1 1 375.561 4.101 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccccc2OCCF)CC1)CC1CC1 ZINC000455720984 822713248 /nfs/dbraw/zinc/71/32/48/822713248.db2.gz HIZPSLHZEWBTGH-UHFFFAOYSA-N 1 1 391.531 4.401 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(Cl)cc1Cl ZINC000184921799 822713582 /nfs/dbraw/zinc/71/35/82/822713582.db2.gz OQFJPHIDOYKPEH-CYBMUJFWSA-N 1 1 399.343 4.384 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)s2)o1 ZINC000050009787 822714020 /nfs/dbraw/zinc/71/40/20/822714020.db2.gz YRPCGNYEAQHTBA-UHFFFAOYSA-N 1 1 375.538 4.212 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)co2)cc1 ZINC000180621432 822714312 /nfs/dbraw/zinc/71/43/12/822714312.db2.gz UTOFXPQKAPMAIK-SFHVURJKSA-N 1 1 395.507 4.292 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nncn4C(C)C)C3)co2)cc1 ZINC000180621432 822714314 /nfs/dbraw/zinc/71/43/14/822714314.db2.gz UTOFXPQKAPMAIK-SFHVURJKSA-N 1 1 395.507 4.292 20 0 GIADMO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000050032316 822715280 /nfs/dbraw/zinc/71/52/80/822715280.db2.gz UASYXSPAEZMGSB-IBGZPJMESA-N 1 1 379.504 4.194 20 0 GIADMO Cc1cc(Cl)c(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000455731419 822715964 /nfs/dbraw/zinc/71/59/64/822715964.db2.gz JISQVNSTVAVFAZ-BRWVUGGUSA-N 1 1 379.932 4.062 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+](C)C[C@H]3CCCCO3)cs2)cc1OC ZINC000050075123 822717190 /nfs/dbraw/zinc/71/71/90/822717190.db2.gz NPUYPTVEXVHZRM-QGZVFWFLSA-N 1 1 376.522 4.218 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)C[C@H]3CCCCO3)cs2)cc1OC ZINC000050075123 822717193 /nfs/dbraw/zinc/71/71/93/822717193.db2.gz NPUYPTVEXVHZRM-QGZVFWFLSA-N 1 1 376.522 4.218 20 0 GIADMO Cc1sc([C@H](C)[NH2+]CC(=O)N2CCCCC2)nc1-c1ccc(Cl)cc1 ZINC000184952747 822717669 /nfs/dbraw/zinc/71/76/69/822717669.db2.gz VPPIRYHBHWKCRC-ZDUSSCGKSA-N 1 1 377.941 4.435 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)[C@H](C)C1 ZINC000455744252 822718415 /nfs/dbraw/zinc/71/84/15/822718415.db2.gz DUSSYLHHZVIZEI-OCCSQVGLSA-N 1 1 386.309 4.091 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)cc1OC(F)F ZINC000184959344 822718528 /nfs/dbraw/zinc/71/85/28/822718528.db2.gz VSEOOWHRPVSPAP-HNNXBMFYSA-N 1 1 389.801 4.255 20 0 GIADMO CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184958755 822718568 /nfs/dbraw/zinc/71/85/68/822718568.db2.gz KTWYAKXLHSOSFB-NWDGAFQWSA-N 1 1 396.354 4.138 20 0 GIADMO Cc1ccc(F)c(Br)c1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000455745720 822718569 /nfs/dbraw/zinc/71/85/69/822718569.db2.gz GVFMDUAQTYVMEA-CYBMUJFWSA-N 1 1 386.309 4.235 20 0 GIADMO CC(C)CCOC1CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000184964634 822719311 /nfs/dbraw/zinc/71/93/11/822719311.db2.gz BYZWVVZFGZRUOA-SFHVURJKSA-N 1 1 388.321 4.149 20 0 GIADMO CSc1cccc(C)c1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000184967359 822719469 /nfs/dbraw/zinc/71/94/69/822719469.db2.gz ABBHWPNLJVHERO-FUHWJXTLSA-N 1 1 384.549 4.144 20 0 GIADMO CSc1cccc(C)c1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000184967377 822719680 /nfs/dbraw/zinc/71/96/80/822719680.db2.gz ABBHWPNLJVHERO-WMZOPIPTSA-N 1 1 384.549 4.144 20 0 GIADMO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1cccs1)c1nnnn1-c1ccccc1 ZINC000184980669 822721225 /nfs/dbraw/zinc/72/12/25/822721225.db2.gz VMYMULPPPQLCGP-LPHOPBHVSA-N 1 1 375.501 4.358 20 0 GIADMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N[C@H]1CCOc2ccccc21 ZINC000050273422 822723333 /nfs/dbraw/zinc/72/33/33/822723333.db2.gz QSZZDYJTNBVPQL-AVRDEDQJSA-N 1 1 396.487 4.206 20 0 GIADMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](Cc2cccs2)CC1 ZINC000050274296 822723338 /nfs/dbraw/zinc/72/33/38/822723338.db2.gz ISPYHYVCAZIJAP-CQSZACIVSA-N 1 1 388.924 4.330 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCCOCc2ccccc2)C[C@H](C)O1 ZINC000050332209 822725954 /nfs/dbraw/zinc/72/59/54/822725954.db2.gz WSKSWDBJIPWPQY-PMACEKPBSA-N 1 1 396.531 4.231 20 0 GIADMO CCOc1ccc(Cl)c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000455787511 822726633 /nfs/dbraw/zinc/72/66/33/822726633.db2.gz YTMHGQLFMCHRLA-LIRRHRJNSA-N 1 1 377.916 4.219 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000185052241 822729612 /nfs/dbraw/zinc/72/96/12/822729612.db2.gz CRLZLYUGDNRSAC-NRFANRHFSA-N 1 1 390.531 4.035 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(Br)cnc2C)CC1 ZINC000455812992 822730985 /nfs/dbraw/zinc/73/09/85/822730985.db2.gz YGAFHWGPODWJIS-UHFFFAOYSA-N 1 1 397.361 4.128 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)Nc3ccc(C(=O)C(C)C)cc3)CC2)[nH+]1 ZINC000455827115 822732944 /nfs/dbraw/zinc/73/29/44/822732944.db2.gz VGUGHSOHXYOSSB-UHFFFAOYSA-N 1 1 380.492 4.019 20 0 GIADMO C[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1nc(-c2cccc(F)c2)no1 ZINC000185080947 822734191 /nfs/dbraw/zinc/73/41/91/822734191.db2.gz XOJXKSVCHQPCQA-BZNIZROVSA-N 1 1 395.356 4.279 20 0 GIADMO C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185087932 822735102 /nfs/dbraw/zinc/73/51/02/822735102.db2.gz WHKVAULZIRVRAG-GFCCVEGCSA-N 1 1 388.830 4.209 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(n2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000455884129 822742205 /nfs/dbraw/zinc/74/22/05/822742205.db2.gz MLMUHTTUDVPWBX-FXAWDEMLSA-N 1 1 378.520 4.087 20 0 GIADMO COc1ccc2c(C[N@H+](Cc3cccc(F)c3)C[C@H]3CCCO3)cc(=O)oc2c1 ZINC000050963887 822743436 /nfs/dbraw/zinc/74/34/36/822743436.db2.gz AIVLAMDXPLJLOS-HXUWFJFHSA-N 1 1 397.446 4.122 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050961399 822743440 /nfs/dbraw/zinc/74/34/40/822743440.db2.gz WUKWGRVWNITQSD-UHFFFAOYSA-N 1 1 394.849 4.290 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050961399 822743442 /nfs/dbraw/zinc/74/34/42/822743442.db2.gz WUKWGRVWNITQSD-UHFFFAOYSA-N 1 1 394.849 4.290 20 0 GIADMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000050961111 822743479 /nfs/dbraw/zinc/74/34/79/822743479.db2.gz IYDRRPIVAGZFSI-HXUWFJFHSA-N 1 1 397.519 4.150 20 0 GIADMO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C(C1CC1)C1CC1 ZINC000050989604 822743813 /nfs/dbraw/zinc/74/38/13/822743813.db2.gz XRXQGXJDFDRVNO-KRWDZBQOSA-N 1 1 383.517 4.139 20 0 GIADMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000050995697 822743931 /nfs/dbraw/zinc/74/39/31/822743931.db2.gz VKZOVZQURCWJIZ-MRXNPFEDSA-N 1 1 391.968 4.126 20 0 GIADMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(Cc3ccc(Cl)cc3)n2)C1 ZINC000050995697 822743933 /nfs/dbraw/zinc/74/39/33/822743933.db2.gz VKZOVZQURCWJIZ-MRXNPFEDSA-N 1 1 391.968 4.126 20 0 GIADMO CCCn1cc(C[NH2+]Cc2cc(Br)ccc2Br)cn1 ZINC000185158011 822744196 /nfs/dbraw/zinc/74/41/96/822744196.db2.gz BPFWLZOTNVYPJH-UHFFFAOYSA-N 1 1 387.119 4.108 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000051049314 822744928 /nfs/dbraw/zinc/74/49/28/822744928.db2.gz HAGONGMPAPOWOT-DENIHFKCSA-N 1 1 395.547 4.177 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3scnc3C(C)C)CC2)cc1 ZINC000455901585 822745078 /nfs/dbraw/zinc/74/50/78/822745078.db2.gz SWPDUWRXBKDKRW-UHFFFAOYSA-N 1 1 388.537 4.015 20 0 GIADMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185184852 822746640 /nfs/dbraw/zinc/74/66/40/822746640.db2.gz JKBCAZPEKMWZDC-MRXNPFEDSA-N 1 1 377.441 4.133 20 0 GIADMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000051124252 822746852 /nfs/dbraw/zinc/74/68/52/822746852.db2.gz XOZMGYOZEGNJKC-HNAYVOBHSA-N 1 1 398.528 4.227 20 0 GIADMO C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132171 822747007 /nfs/dbraw/zinc/74/70/07/822747007.db2.gz FBYLMADXFNMXOA-ZJSXRUAMSA-N 1 1 392.543 4.282 20 0 GIADMO C[N@@H+](Cc1nc(Cc2ccccc2)no1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132295 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4.486 20 0 GIADMO Cc1nc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)sc1C ZINC000174433490 822789434 /nfs/dbraw/zinc/78/94/34/822789434.db2.gz IUJRLPGOVLJUGN-UHFFFAOYSA-N 1 1 389.528 4.357 20 0 GIADMO COc1cccc(-c2nc(C[NH+]3CCC(O)(c4ccccc4)CC3)cs2)c1 ZINC000185490235 822790125 /nfs/dbraw/zinc/79/01/25/822790125.db2.gz MQTLZFRTCUDMHB-UHFFFAOYSA-N 1 1 380.513 4.302 20 0 GIADMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185493097 822790426 /nfs/dbraw/zinc/79/04/26/822790426.db2.gz HOQXEKWCEQQOHB-OAHLLOKOSA-N 1 1 383.879 4.435 20 0 GIADMO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)Nc2cccc(NC(C)=O)c2)o1 ZINC000174449097 822791122 /nfs/dbraw/zinc/79/11/22/822791122.db2.gz AFFZULHKELMJRD-QRWLVFNGSA-N 1 1 383.492 4.212 20 0 GIADMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)Nc2cccc(NC(C)=O)c2)o1 ZINC000174449097 822791125 /nfs/dbraw/zinc/79/11/25/822791125.db2.gz AFFZULHKELMJRD-QRWLVFNGSA-N 1 1 383.492 4.212 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCC(C)CC4)CC3)cs2)o1 ZINC000052159681 822791639 /nfs/dbraw/zinc/79/16/39/822791639.db2.gz NBJBGIYCFVTUTM-UHFFFAOYSA-N 1 1 387.549 4.182 20 0 GIADMO CCc1cc2oc(=O)cc(C[NH+]3CCC(O)(c4ccccc4)CC3)c2cc1Cl ZINC000185510334 822791902 /nfs/dbraw/zinc/79/19/02/822791902.db2.gz RFKRWRBAGDDVDQ-UHFFFAOYSA-N 1 1 397.902 4.492 20 0 GIADMO COc1cc(C[NH2+]Cc2nccn2CC(C)C)ccc1OCc1c(C)noc1C ZINC000174454541 822792273 /nfs/dbraw/zinc/79/22/73/822792273.db2.gz DFRRWAVYWZSZCZ-UHFFFAOYSA-N 1 1 398.507 4.021 20 0 GIADMO CC(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000185515589 822792516 /nfs/dbraw/zinc/79/25/16/822792516.db2.gz VIIJNSMUPFLQLX-OAHLLOKOSA-N 1 1 381.358 4.212 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2C)c1 ZINC000052212383 822793274 /nfs/dbraw/zinc/79/32/74/822793274.db2.gz QIBYHMABJWULAZ-QFIPXVFZSA-N 1 1 393.531 4.253 20 0 GIADMO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000052218006 822793294 /nfs/dbraw/zinc/79/32/94/822793294.db2.gz GHQMQWUHDMXVSL-UHFFFAOYSA-N 1 1 380.319 4.257 20 0 GIADMO 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/nfs/dbraw/zinc/79/77/26/822797726.db2.gz ADUVILDISHOTBM-SFHVURJKSA-N 1 1 389.499 4.244 20 0 GIADMO C[C@H]1CN(C(=O)CCc2nc3ccccc3s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456317715 822797852 /nfs/dbraw/zinc/79/78/52/822797852.db2.gz ZKWGXIBVFVDTDY-GOSISDBHSA-N 1 1 393.556 4.209 20 0 GIADMO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000174509432 822798730 /nfs/dbraw/zinc/79/87/30/822798730.db2.gz NRVHGSGYCUINIF-CQSZACIVSA-N 1 1 387.446 4.300 20 0 GIADMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000052432231 822799440 /nfs/dbraw/zinc/79/94/40/822799440.db2.gz MEAWBTLQJJUXPY-FXAWDEMLSA-N 1 1 382.504 4.027 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)C1 ZINC000174514768 822799575 /nfs/dbraw/zinc/79/95/75/822799575.db2.gz IKUNRQNMHFKVDQ-GOSISDBHSA-N 1 1 394.519 4.053 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)C1 ZINC000174520358 822800140 /nfs/dbraw/zinc/80/01/40/822800140.db2.gz XULLOPOCSVHPDG-QGZVFWFLSA-N 1 1 399.583 4.032 20 0 GIADMO COc1ccc(N2CCC[N@H+](Cc3coc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000052465855 822800638 /nfs/dbraw/zinc/80/06/38/822800638.db2.gz LAZJVKRRXZXYJT-UHFFFAOYSA-N 1 1 381.451 4.202 20 0 GIADMO COc1ccc(N2CCC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000052465855 822800642 /nfs/dbraw/zinc/80/06/42/822800642.db2.gz LAZJVKRRXZXYJT-UHFFFAOYSA-N 1 1 381.451 4.202 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000174537069 822802594 /nfs/dbraw/zinc/80/25/94/822802594.db2.gz ZSZWCVXIBQJBDG-QGZVFWFLSA-N 1 1 396.318 4.304 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000174539532 822802758 /nfs/dbraw/zinc/80/27/58/822802758.db2.gz NOBYPPAQVUALBR-MRXNPFEDSA-N 1 1 388.943 4.063 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(Cl)c2cccnc12 ZINC000052561152 822803783 /nfs/dbraw/zinc/80/37/83/822803783.db2.gz IVIBUEJVCOKCLB-UHFFFAOYSA-N 1 1 379.891 4.412 20 0 GIADMO COCCN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccccc1 ZINC000456388618 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CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2csc3ccccc23)c1 ZINC000052806104 822811572 /nfs/dbraw/zinc/81/15/72/822811572.db2.gz BGCDMEDCVHKEJN-AWEZNQCLSA-N 1 1 381.501 4.319 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2csc3ccccc23)c1 ZINC000052806104 822811575 /nfs/dbraw/zinc/81/15/75/822811575.db2.gz BGCDMEDCVHKEJN-AWEZNQCLSA-N 1 1 381.501 4.319 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)on1 ZINC000052822253 822812055 /nfs/dbraw/zinc/81/20/55/822812055.db2.gz VWSRZLJBNDNCGB-OAQYLSRUSA-N 1 1 381.520 4.435 20 0 GIADMO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)on1 ZINC000052822253 822812056 /nfs/dbraw/zinc/81/20/56/822812056.db2.gz VWSRZLJBNDNCGB-OAQYLSRUSA-N 1 1 381.520 4.435 20 0 GIADMO O=C(Nc1ccccn1)C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000052828596 822812251 /nfs/dbraw/zinc/81/22/51/822812251.db2.gz CFZNJSDDGUNZBM-UHFFFAOYSA-N 1 1 396.878 4.241 20 0 GIADMO Cc1ccc2[nH]cc(CCC(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)c2c1 ZINC000174612761 822812528 /nfs/dbraw/zinc/81/25/28/822812528.db2.gz DNNHKRJSVMDTSE-NRFANRHFSA-N 1 1 389.543 4.090 20 0 GIADMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)n1 ZINC000052861515 822813091 /nfs/dbraw/zinc/81/30/91/822813091.db2.gz DXPZYJZYCHHQAV-GOSISDBHSA-N 1 1 388.556 4.051 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)n1 ZINC000052861515 822813095 /nfs/dbraw/zinc/81/30/95/822813095.db2.gz DXPZYJZYCHHQAV-GOSISDBHSA-N 1 1 388.556 4.051 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052865479 822813367 /nfs/dbraw/zinc/81/33/67/822813367.db2.gz KOUSQQPEMSXUON-JOCHJYFZSA-N 1 1 380.532 4.431 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000052865479 822813370 /nfs/dbraw/zinc/81/33/70/822813370.db2.gz KOUSQQPEMSXUON-JOCHJYFZSA-N 1 1 380.532 4.431 20 0 GIADMO CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)[C@@H](C)c1cccc(O)c1 ZINC000174622056 822813716 /nfs/dbraw/zinc/81/37/16/822813716.db2.gz JITRZDYIXPTLOM-QMHKHESXSA-N 1 1 382.504 4.051 20 0 GIADMO CC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)[C@@H](C)c1cccc(O)c1 ZINC000174622056 822813720 /nfs/dbraw/zinc/81/37/20/822813720.db2.gz JITRZDYIXPTLOM-QMHKHESXSA-N 1 1 382.504 4.051 20 0 GIADMO CCc1cnc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)s1 ZINC000174625046 822814078 /nfs/dbraw/zinc/81/40/78/822814078.db2.gz MVOWETNCEJZXMI-UHFFFAOYSA-N 1 1 389.528 4.302 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)cc1O ZINC000174628636 822814397 /nfs/dbraw/zinc/81/43/97/822814397.db2.gz BCCUHOBUHSHDKQ-UHFFFAOYSA-N 1 1 383.275 4.168 20 0 GIADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742845 822816805 /nfs/dbraw/zinc/81/68/05/822816805.db2.gz VRZBJGIKFGBQLP-NLWGTHIKSA-N 1 1 397.563 4.195 20 0 GIADMO Cc1nc(-c2ccccc2)sc1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000174657178 822819311 /nfs/dbraw/zinc/81/93/11/822819311.db2.gz MLVRONJYKPUJTA-GOSISDBHSA-N 1 1 386.565 4.134 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)Nc4ccc(F)cc4)CC3)c2c1 ZINC000053055554 822820183 /nfs/dbraw/zinc/82/01/83/822820183.db2.gz OLUZZOMHOQYGHU-UHFFFAOYSA-N 1 1 379.435 4.043 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)Nc4ccc(F)cc4)CC3)c2c1 ZINC000053055554 822820187 /nfs/dbraw/zinc/82/01/87/822820187.db2.gz OLUZZOMHOQYGHU-UHFFFAOYSA-N 1 1 379.435 4.043 20 0 GIADMO O=c1[nH]c(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)nc2c3ccccc3oc21 ZINC000053076176 822820416 /nfs/dbraw/zinc/82/04/16/822820416.db2.gz ACTUGIWBRNOQTL-INIZCTEOSA-N 1 1 377.419 4.016 20 0 GIADMO O=c1[nH]c(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)nc2c3ccccc3oc21 ZINC000053076176 822820418 /nfs/dbraw/zinc/82/04/18/822820418.db2.gz ACTUGIWBRNOQTL-INIZCTEOSA-N 1 1 377.419 4.016 20 0 GIADMO COCCOc1cccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000053086505 822820998 /nfs/dbraw/zinc/82/09/98/822820998.db2.gz CXSUJQRHUUMZLC-UHFFFAOYSA-N 1 1 393.487 4.332 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](CC)[C@H](C)c2ccc(F)cc2)c1 ZINC000053088331 822821040 /nfs/dbraw/zinc/82/10/40/822821040.db2.gz JNOUTIUACHFWIP-QGZVFWFLSA-N 1 1 399.510 4.329 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](CC)[C@H](C)c2ccc(F)cc2)c1 ZINC000053088331 822821042 /nfs/dbraw/zinc/82/10/42/822821042.db2.gz JNOUTIUACHFWIP-QGZVFWFLSA-N 1 1 399.510 4.329 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000053111969 822822354 /nfs/dbraw/zinc/82/23/54/822822354.db2.gz HLSRDFIFLBGBBD-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000053111969 822822356 /nfs/dbraw/zinc/82/23/56/822822356.db2.gz HLSRDFIFLBGBBD-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000053117116 822822494 /nfs/dbraw/zinc/82/24/94/822822494.db2.gz LECUSTCMUVGHTE-GFCCVEGCSA-N 1 1 394.302 4.411 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)c1 ZINC000053117116 822822499 /nfs/dbraw/zinc/82/24/99/822822499.db2.gz LECUSTCMUVGHTE-GFCCVEGCSA-N 1 1 394.302 4.411 20 0 GIADMO Cc1cccc(NC(=O)C2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)n1 ZINC000053163182 822824221 /nfs/dbraw/zinc/82/42/21/822824221.db2.gz GFPJHRQQTLIZAW-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000053179565 822824952 /nfs/dbraw/zinc/82/49/52/822824952.db2.gz MMRHSKVDKBSFGS-UHFFFAOYSA-N 1 1 394.544 4.282 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000053181710 822825144 /nfs/dbraw/zinc/82/51/44/822825144.db2.gz MEWGRUJWVLSYJG-UHFFFAOYSA-N 1 1 382.467 4.024 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(-c3cccnc3)on2)cc1 ZINC000053187585 822825308 /nfs/dbraw/zinc/82/53/08/822825308.db2.gz IGITYGUOBXGSJO-QGZVFWFLSA-N 1 1 390.487 4.041 20 0 GIADMO Cc1nc(C)c(-c2csc(NC(=O)CCn3cc[nH+]c3C(C)C)n2)s1 ZINC000174721543 822828390 /nfs/dbraw/zinc/82/83/90/822828390.db2.gz SJQVGMYQTZDBHK-UHFFFAOYSA-N 1 1 375.523 4.232 20 0 GIADMO COc1ccc2cc([C@H](C)C(=O)NCC[N@@H+]3CCc4sccc4C3)ccc2c1 ZINC000053265677 822828403 /nfs/dbraw/zinc/82/84/03/822828403.db2.gz PIFSAIVUDFNFPU-INIZCTEOSA-N 1 1 394.540 4.188 20 0 GIADMO COc1ccc2cc([C@H](C)C(=O)NCC[N@H+]3CCc4sccc4C3)ccc2c1 ZINC000053265677 822828405 /nfs/dbraw/zinc/82/84/05/822828405.db2.gz PIFSAIVUDFNFPU-INIZCTEOSA-N 1 1 394.540 4.188 20 0 GIADMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000185868467 822828576 /nfs/dbraw/zinc/82/85/76/822828576.db2.gz FOAJZNHYJMDHKV-HNNXBMFYSA-N 1 1 385.430 4.257 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2C)cc1Cl ZINC000053279474 822828807 /nfs/dbraw/zinc/82/88/07/822828807.db2.gz MRKJTKKOGYYPMK-SFHVURJKSA-N 1 1 388.895 4.441 20 0 GIADMO CN(C)C(=O)Sc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000174731428 822829705 /nfs/dbraw/zinc/82/97/05/822829705.db2.gz QXGBGHWSZLNSFV-HXUWFJFHSA-N 1 1 397.544 4.454 20 0 GIADMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000053333313 822830810 /nfs/dbraw/zinc/83/08/10/822830810.db2.gz NNYHCZLMNSBHSO-UHFFFAOYSA-N 1 1 380.410 4.315 20 0 GIADMO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000053333313 822830814 /nfs/dbraw/zinc/83/08/14/822830814.db2.gz NNYHCZLMNSBHSO-UHFFFAOYSA-N 1 1 380.410 4.315 20 0 GIADMO C[N@@H+](CCNC(=O)CCc1ncc(-c2ccccc2Cl)o1)Cc1ccccc1 ZINC000053349505 822831170 /nfs/dbraw/zinc/83/11/70/822831170.db2.gz AYQOJITXUOBDHH-UHFFFAOYSA-N 1 1 397.906 4.176 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000174753048 822832545 /nfs/dbraw/zinc/83/25/45/822832545.db2.gz FVYGPEISFRSAOS-GJZGRUSLSA-N 1 1 393.915 4.187 20 0 GIADMO CC[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000174762298 822834034 /nfs/dbraw/zinc/83/40/34/822834034.db2.gz HHGPPARWURPJKR-MOPGFXCFSA-N 1 1 386.565 4.066 20 0 GIADMO COc1cc(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)ccc1OC(F)F ZINC000053422054 822834114 /nfs/dbraw/zinc/83/41/14/822834114.db2.gz MHHCYHHQKPXGHC-UHFFFAOYSA-N 1 1 387.430 4.173 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)ccc1OC(F)F ZINC000053422054 822834115 /nfs/dbraw/zinc/83/41/15/822834115.db2.gz MHHCYHHQKPXGHC-UHFFFAOYSA-N 1 1 387.430 4.173 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174779530 822835785 /nfs/dbraw/zinc/83/57/85/822835785.db2.gz BTDYNVXPKNVNKP-MOPGFXCFSA-N 1 1 386.540 4.069 20 0 GIADMO C[C@H](OCc1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000185957562 822837250 /nfs/dbraw/zinc/83/72/50/822837250.db2.gz CQBOEDVRPSNDAS-QTEQDKRBSA-N 1 1 380.532 4.103 20 0 GIADMO CC[C@H]([NH2+]C[C@H](O)COc1cc(C)cc(C)c1)c1nc(C(F)(F)F)cs1 ZINC000185960066 822837680 /nfs/dbraw/zinc/83/76/80/822837680.db2.gz JZGSGYCZDTWBBO-ZFWWWQNUSA-N 1 1 388.455 4.259 20 0 GIADMO CC(=O)Nc1cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1F ZINC000053513371 822838139 /nfs/dbraw/zinc/83/81/39/822838139.db2.gz RBGZZXBSCGNINX-INIZCTEOSA-N 1 1 397.494 4.089 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cn1 ZINC000053545985 822840123 /nfs/dbraw/zinc/84/01/23/822840123.db2.gz OFAYJMZRZWPWNY-UHFFFAOYSA-N 1 1 387.443 4.110 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cn1 ZINC000053546371 822840153 /nfs/dbraw/zinc/84/01/53/822840153.db2.gz GDDHWXMFVJZSGB-UHFFFAOYSA-N 1 1 397.232 4.337 20 0 GIADMO CCSCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000185987806 822841392 /nfs/dbraw/zinc/84/13/92/822841392.db2.gz OPMPBBAJWHFQBB-SJLPKXTDSA-N 1 1 387.549 4.053 20 0 GIADMO CCO[C@H](C)c1nc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000174823882 822842143 /nfs/dbraw/zinc/84/21/43/822842143.db2.gz SIMQAYYGAQOYOL-CQSZACIVSA-N 1 1 383.558 4.072 20 0 GIADMO CCO[C@H](C)c1nc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000174823882 822842148 /nfs/dbraw/zinc/84/21/48/822842148.db2.gz SIMQAYYGAQOYOL-CQSZACIVSA-N 1 1 383.558 4.072 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)c1nnc2ccccn21 ZINC000053601552 822842167 /nfs/dbraw/zinc/84/21/67/822842167.db2.gz NXYFNNUTXJBXBP-INIZCTEOSA-N 1 1 376.435 4.298 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+](Cc3ccco3)C3CCCC3)cs2)cc1 ZINC000053610712 822842762 /nfs/dbraw/zinc/84/27/62/822842762.db2.gz APFGPTCQYSQNAM-UHFFFAOYSA-N 1 1 381.501 4.447 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@@H+](Cc3ccco3)C3CCCC3)cs2)cc1 ZINC000053610712 822842765 /nfs/dbraw/zinc/84/27/65/822842765.db2.gz APFGPTCQYSQNAM-UHFFFAOYSA-N 1 1 381.501 4.447 20 0 GIADMO CCOc1cccc2cc([C@H](C)NC(=O)NCCCCn3cc[nH+]c3C)oc21 ZINC000174830083 822843112 /nfs/dbraw/zinc/84/31/12/822843112.db2.gz GCGYFCOODGURRO-HNNXBMFYSA-N 1 1 384.480 4.177 20 0 GIADMO O=C(CCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000053721241 822846025 /nfs/dbraw/zinc/84/60/25/822846025.db2.gz QJACJBZKHAOHFA-UHFFFAOYSA-N 1 1 384.907 4.037 20 0 GIADMO O=C(CCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000053721241 822846027 /nfs/dbraw/zinc/84/60/27/822846027.db2.gz QJACJBZKHAOHFA-UHFFFAOYSA-N 1 1 384.907 4.037 20 0 GIADMO O=C(CCC(=O)N1CC[NH2+][C@H](c2ccccc2)C1)c1csc2ccccc12 ZINC000457010326 822846124 /nfs/dbraw/zinc/84/61/24/822846124.db2.gz FCYAHWVMHCHSND-IBGZPJMESA-N 1 1 378.497 4.037 20 0 GIADMO CCCO[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000174853414 822846753 /nfs/dbraw/zinc/84/67/53/822846753.db2.gz WSQYWKRICYMNNP-IBGZPJMESA-N 1 1 381.582 4.039 20 0 GIADMO CCCO[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000174853414 822846757 /nfs/dbraw/zinc/84/67/57/822846757.db2.gz WSQYWKRICYMNNP-IBGZPJMESA-N 1 1 381.582 4.039 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(Cl)c2F)[C@@H]1c1cccs1 ZINC000186048670 822847091 /nfs/dbraw/zinc/84/70/91/822847091.db2.gz VYUDSEPKZDRNGQ-PIGZYNQJSA-N 1 1 384.879 4.493 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000053759018 822847224 /nfs/dbraw/zinc/84/72/24/822847224.db2.gz HKIDARJBKCCKQX-INIZCTEOSA-N 1 1 393.409 4.107 20 0 GIADMO COc1c(C)ccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1C ZINC000174899819 822852511 /nfs/dbraw/zinc/85/25/11/822852511.db2.gz ULAXDANFHZYGMO-GOSISDBHSA-N 1 1 381.520 4.440 20 0 GIADMO COc1c(C)ccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1C ZINC000174899803 822852546 /nfs/dbraw/zinc/85/25/46/822852546.db2.gz ULAXDANFHZYGMO-SFHVURJKSA-N 1 1 381.520 4.440 20 0 GIADMO Cc1nc2cc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)ccc2n1Cc1ccsc1 ZINC000457098797 822853169 /nfs/dbraw/zinc/85/31/69/822853169.db2.gz ULULPWQAYACZSQ-IBGZPJMESA-N 1 1 396.560 4.009 20 0 GIADMO Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)cc12 ZINC000457107095 822853546 /nfs/dbraw/zinc/85/35/46/822853546.db2.gz DUZOHMVUMHOXQW-GOSISDBHSA-N 1 1 396.560 4.009 20 0 GIADMO O=C(N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000457107457 822853677 /nfs/dbraw/zinc/85/36/77/822853677.db2.gz BYJSZVRFZQWMJC-QFUCXCTJSA-N 1 1 390.955 4.126 20 0 GIADMO COc1ccccc1-c1nnc(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)o1 ZINC000174908194 822854144 /nfs/dbraw/zinc/85/41/44/822854144.db2.gz JQMNMJKYJOTVSA-FQEVSTJZSA-N 1 1 393.487 4.007 20 0 GIADMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)c12 ZINC000457111490 822854247 /nfs/dbraw/zinc/85/42/47/822854247.db2.gz ILHJRXNBGRUMQY-KRWDZBQOSA-N 1 1 399.583 4.173 20 0 GIADMO Cc1cn(-c2ccccc2)nc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000186140669 822855183 /nfs/dbraw/zinc/85/51/83/822855183.db2.gz NGHVQXRQBNWUHG-FQEVSTJZSA-N 1 1 394.563 4.297 20 0 GIADMO C[NH+](C)[C@@H](C(=O)N1CCC2(CC1)OCCc1ccccc12)c1cccc(Cl)c1 ZINC000457124138 822855524 /nfs/dbraw/zinc/85/55/24/822855524.db2.gz XFSLEKSWPWWONN-OAQYLSRUSA-N 1 1 398.934 4.033 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2sccc2OC)CC1 ZINC000186154473 822856283 /nfs/dbraw/zinc/85/62/83/822856283.db2.gz RNKKMNXJVSUIOL-HOTGVXAUSA-N 1 1 391.556 4.450 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000457132385 822856282 /nfs/dbraw/zinc/85/62/82/822856282.db2.gz USVGOXOIRGHOBY-GOSISDBHSA-N 1 1 387.524 4.068 20 0 GIADMO Cc1cc(OC(F)F)c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000174929135 822857290 /nfs/dbraw/zinc/85/72/90/822857290.db2.gz OPTLQTKMMMSUAY-INIZCTEOSA-N 1 1 394.487 4.252 20 0 GIADMO Cc1cc(C(C)(C)C(=O)NCCCC[N@H+](C)C2CC2)ccc1Br ZINC000457161044 822858157 /nfs/dbraw/zinc/85/81/57/822858157.db2.gz CMFHTUBJERZPFK-UHFFFAOYSA-N 1 1 381.358 4.026 20 0 GIADMO Cc1cc(C)c(C[C@@H](C(=O)NCCCC[N@H+](C)C2CC2)C(F)(F)F)c(C)c1 ZINC000457164387 822858281 /nfs/dbraw/zinc/85/82/81/822858281.db2.gz IZIVXOHRABUQQE-IBGZPJMESA-N 1 1 384.486 4.323 20 0 GIADMO COc1ccc(OC)c(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000054010897 822858517 /nfs/dbraw/zinc/85/85/17/822858517.db2.gz LIWLWMLNKMWDFT-UHFFFAOYSA-N 1 1 379.460 4.324 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1C ZINC000054011150 822858525 /nfs/dbraw/zinc/85/85/25/822858525.db2.gz MUOYZEYPCUEDSV-UHFFFAOYSA-N 1 1 378.476 4.455 20 0 GIADMO COc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000054011514 822858732 /nfs/dbraw/zinc/85/87/32/822858732.db2.gz ZFAMELWQOXAXKQ-KRWDZBQOSA-N 1 1 393.487 4.469 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000186184453 822858844 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0 GIADMO CCC(=O)Nc1ccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000186222888 822862226 /nfs/dbraw/zinc/86/22/26/822862226.db2.gz ZJXYAYCAIPTCKH-NRFANRHFSA-N 1 1 394.519 4.067 20 0 GIADMO COc1ccccc1CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122318 822863138 /nfs/dbraw/zinc/86/31/38/822863138.db2.gz HLTFBWQFWIEQRE-UHFFFAOYSA-N 1 1 386.923 4.016 20 0 GIADMO COc1ccccc1CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122318 822863139 /nfs/dbraw/zinc/86/31/39/822863139.db2.gz HLTFBWQFWIEQRE-UHFFFAOYSA-N 1 1 386.923 4.016 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000054153273 822864567 /nfs/dbraw/zinc/86/45/67/822864567.db2.gz RRHYMZIYGABHJA-CYBMUJFWSA-N 1 1 389.272 4.362 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000054164567 822864672 /nfs/dbraw/zinc/86/46/72/822864672.db2.gz OSRKFDCCNMVKQO-UHFFFAOYSA-N 1 1 393.450 4.044 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000054164446 822864765 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CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000054806012 822914298 /nfs/dbraw/zinc/91/42/98/822914298.db2.gz FPXNQVXGHMNJQG-INIZCTEOSA-N 1 1 378.476 4.348 20 0 GIADMO O=C(Cc1ccccc1OC1CCCC1)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000457757450 822915702 /nfs/dbraw/zinc/91/57/02/822915702.db2.gz ZWCIDCBYRJAJLC-LJQANCHMSA-N 1 1 393.531 4.099 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)c(Cl)cc3OC)sc2C1 ZINC000175257787 822916683 /nfs/dbraw/zinc/91/66/83/822916683.db2.gz KMXINBKQWRLDCV-UHFFFAOYSA-N 1 1 386.304 4.089 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3cc(Cl)c(Cl)cc3OC)sc2C1 ZINC000175257787 822916689 /nfs/dbraw/zinc/91/66/89/822916689.db2.gz KMXINBKQWRLDCV-UHFFFAOYSA-N 1 1 386.304 4.089 20 0 GIADMO Cc1[nH+]ccn1CC(=O)N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000457765924 822916692 /nfs/dbraw/zinc/91/66/92/822916692.db2.gz XMACPIMSHUZTML-ZDUSSCGKSA-N 1 1 379.304 4.020 20 0 GIADMO CC(=O)NC1CCC([N@@H+](C)CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000569399411 822916780 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ZINC000054886839 822920167 /nfs/dbraw/zinc/92/01/67/822920167.db2.gz MITBPBGBBFOBIH-UHFFFAOYSA-N 1 1 376.456 4.445 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(Br)co1 ZINC000457799037 822920362 /nfs/dbraw/zinc/92/03/62/822920362.db2.gz VSAXRNHUNRPFLW-KRWDZBQOSA-N 1 1 391.309 4.073 20 0 GIADMO CCc1ccc(CN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C2CC2)cc1 ZINC000175279791 822923004 /nfs/dbraw/zinc/92/30/04/822923004.db2.gz WELRQGHQWISNCP-UHFFFAOYSA-N 1 1 392.547 4.295 20 0 GIADMO CC[C@H]1CN(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000175283298 822923964 /nfs/dbraw/zinc/92/39/64/822923964.db2.gz KGYBVDUQJZULAP-MSOLQXFVSA-N 1 1 375.557 4.242 20 0 GIADMO c1c2c(sc1-c1nnc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)o1)CCCC2 ZINC000186616677 822924221 /nfs/dbraw/zinc/92/42/21/822924221.db2.gz FCPZVYZQNTVDSD-JOCHJYFZSA-N 1 1 393.512 4.308 20 0 GIADMO c1c2c(sc1-c1nnc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)o1)CCCC2 ZINC000186616677 822924224 /nfs/dbraw/zinc/92/42/24/822924224.db2.gz 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CC(C)[N@@H+](C)CC1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000054975270 822927073 /nfs/dbraw/zinc/92/70/73/822927073.db2.gz LPKSQKFLKRWJPK-UHFFFAOYSA-N 1 1 389.487 4.334 20 0 GIADMO CC1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)C1 ZINC000569470421 822927150 /nfs/dbraw/zinc/92/71/50/822927150.db2.gz MJBQCMAGVLVZKF-UHFFFAOYSA-N 1 1 385.895 4.263 20 0 GIADMO CC1(C)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)C1 ZINC000569470421 822927155 /nfs/dbraw/zinc/92/71/55/822927155.db2.gz MJBQCMAGVLVZKF-UHFFFAOYSA-N 1 1 385.895 4.263 20 0 GIADMO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]Cc2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000569474413 822927320 /nfs/dbraw/zinc/92/73/20/822927320.db2.gz DMGDQAFRFCAGOO-MOEXGYKKSA-N 1 1 390.549 4.012 20 0 GIADMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000569484222 822928578 /nfs/dbraw/zinc/92/85/78/822928578.db2.gz DTYLXFQLOUXXLO-NSHDSACASA-N 1 1 377.257 4.324 20 0 GIADMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000186644795 822928868 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GIADMO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)cc1 ZINC000175328027 822936369 /nfs/dbraw/zinc/93/63/69/822936369.db2.gz MSCGBYNOJGSZNX-KRWDZBQOSA-N 1 1 383.536 4.370 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)c1cccc2ccccc21 ZINC000569557295 822939465 /nfs/dbraw/zinc/93/94/65/822939465.db2.gz CACFFXLEQZUPCZ-QMZRJTEUSA-N 1 1 380.532 4.033 20 0 GIADMO Cc1cccc2c1cc[nH+]c2N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000569570170 822941220 /nfs/dbraw/zinc/94/12/20/822941220.db2.gz WUULHHIQAUZNCV-UHFFFAOYSA-N 1 1 379.529 4.180 20 0 GIADMO Cc1ccc2cccc(C(=O)Nc3nc4c(s3)C[N@H+](C(C)(C)C)CC4)c2n1 ZINC000569570418 822941266 /nfs/dbraw/zinc/94/12/66/822941266.db2.gz SUKJNELSPVQFPE-UHFFFAOYSA-N 1 1 380.517 4.409 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000055152638 822941581 /nfs/dbraw/zinc/94/15/81/822941581.db2.gz UYWFAXJTLIOXKM-NWDGAFQWSA-N 1 1 380.847 4.174 20 0 GIADMO O=C(CCc1nccs1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000055258396 822948448 /nfs/dbraw/zinc/94/84/48/822948448.db2.gz BFLIVBBWTPTKLC-GOSISDBHSA-N 1 1 397.569 4.053 20 0 GIADMO O=C(CCc1nccs1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000055258396 822948449 /nfs/dbraw/zinc/94/84/49/822948449.db2.gz BFLIVBBWTPTKLC-GOSISDBHSA-N 1 1 397.569 4.053 20 0 GIADMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OCC ZINC000175381218 822952688 /nfs/dbraw/zinc/95/26/88/822952688.db2.gz CFFGWAPVKNXBTK-QMTYFTJSSA-N 1 1 375.534 4.414 20 0 GIADMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000569672224 822953293 /nfs/dbraw/zinc/95/32/93/822953293.db2.gz AIWLSMDIWIJTSD-RISCZKNCSA-N 1 1 382.348 4.252 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000186780169 822954186 /nfs/dbraw/zinc/95/41/86/822954186.db2.gz VJAQFANKGUSCHH-NSHDSACASA-N 1 1 380.275 4.241 20 0 GIADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccccc1CN1CCc2ccccc21 ZINC000175389754 822956137 /nfs/dbraw/zinc/95/61/37/822956137.db2.gz FWWVWOUMFMQBJI-LJQANCHMSA-N 1 1 392.547 4.055 20 0 GIADMO CC[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccncc1 ZINC000175393376 822957134 /nfs/dbraw/zinc/95/71/34/822957134.db2.gz BFBXQYJLCUCINK-AVRDEDQJSA-N 1 1 380.536 4.407 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC12CCC2 ZINC000569711929 822957721 /nfs/dbraw/zinc/95/77/21/822957721.db2.gz VHTNLSWZXOEPFX-KRWDZBQOSA-N 1 1 393.409 4.360 20 0 GIADMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000175406661 822961083 /nfs/dbraw/zinc/96/10/83/822961083.db2.gz CIIOFVTWRVMPOD-HGRMPGJJSA-N 1 1 394.581 4.064 20 0 GIADMO COc1cc(C)c(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000186823242 822961423 /nfs/dbraw/zinc/96/14/23/822961423.db2.gz UFFJCNCFVKYLJR-IYBDPMFKSA-N 1 1 386.467 4.004 20 0 GIADMO COc1cc(C)c(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000186823242 822961424 /nfs/dbraw/zinc/96/14/24/822961424.db2.gz UFFJCNCFVKYLJR-IYBDPMFKSA-N 1 1 386.467 4.004 20 0 GIADMO Cc1cnn(C)c1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000569741705 822962135 /nfs/dbraw/zinc/96/21/35/822962135.db2.gz RUNNTHQJLNXCCP-UHFFFAOYSA-N 1 1 393.466 4.070 20 0 GIADMO Cc1cnn(C)c1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000569741705 822962139 /nfs/dbraw/zinc/96/21/39/822962139.db2.gz RUNNTHQJLNXCCP-UHFFFAOYSA-N 1 1 393.466 4.070 20 0 GIADMO Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCCN4c5ccccc5C[C@H]4C3)nc(=O)c2c1C ZINC000569744706 822962439 /nfs/dbraw/zinc/96/24/39/822962439.db2.gz IBTKDRNZJGIWCS-PBHICJAKSA-N 1 1 394.544 4.212 20 0 GIADMO Cc1sc2[nH]c([C@@H](C)[N@H+]3CCCN4c5ccccc5C[C@H]4C3)nc(=O)c2c1C ZINC000569744706 822962442 /nfs/dbraw/zinc/96/24/42/822962442.db2.gz IBTKDRNZJGIWCS-PBHICJAKSA-N 1 1 394.544 4.212 20 0 GIADMO COCCOc1ccc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569746773 822962789 /nfs/dbraw/zinc/96/27/89/822962789.db2.gz FJUTZKWTAMWHIN-HSZRJFAPSA-N 1 1 382.548 4.104 20 0 GIADMO COCCOc1ccc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569746773 822962790 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CC(=O)Nc1cccc(NC(=O)C[N@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000175437188 822968984 /nfs/dbraw/zinc/96/89/84/822968984.db2.gz QFUUZAYAHQWAEM-GJZGRUSLSA-N 1 1 387.911 4.361 20 0 GIADMO CCN(C(=O)Nc1cc(F)c(OC)cc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186859627 822969445 /nfs/dbraw/zinc/96/94/45/822969445.db2.gz IFVYTSPPSYLQGJ-SFHVURJKSA-N 1 1 385.483 4.271 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000186860070 822969797 /nfs/dbraw/zinc/96/97/97/822969797.db2.gz HRHSIRPTVDDGEE-IOMROCGXSA-N 1 1 380.536 4.403 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175455767 822973431 /nfs/dbraw/zinc/97/34/31/822973431.db2.gz LWLRAOATERKMNR-IBGZPJMESA-N 1 1 388.389 4.120 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175455767 822973433 /nfs/dbraw/zinc/97/34/33/822973433.db2.gz LWLRAOATERKMNR-IBGZPJMESA-N 1 1 388.389 4.120 20 0 GIADMO COc1ccc([C@@H](C)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1NC(C)=O 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1 383.542 4.350 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000569876256 822979436 /nfs/dbraw/zinc/97/94/36/822979436.db2.gz IPYOFRLYXMAPDE-UWVGGRQHSA-N 1 1 379.407 4.391 20 0 GIADMO Cc1cc(C2CC[NH+](CC[S@@](=O)c3cc(Cl)ccc3Cl)CC2)n[nH]1 ZINC000569880675 822979907 /nfs/dbraw/zinc/97/99/07/822979907.db2.gz LNCPLJTYALPQAQ-XMMPIXPASA-N 1 1 386.348 4.012 20 0 GIADMO Cc1cc(C2CC[NH+](CC[S@@](=O)c3cc(Cl)ccc3Cl)CC2)[nH]n1 ZINC000569880675 822979910 /nfs/dbraw/zinc/97/99/10/822979910.db2.gz LNCPLJTYALPQAQ-XMMPIXPASA-N 1 1 386.348 4.012 20 0 GIADMO COc1cc(C[N@@H+](CC2CCC2)[C@@H](C)CO)ccc1OCc1cccs1 ZINC000569889599 822981268 /nfs/dbraw/zinc/98/12/68/822981268.db2.gz WCTIQNCBKZCTIS-INIZCTEOSA-N 1 1 375.534 4.319 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186929746 822982053 /nfs/dbraw/zinc/98/20/53/822982053.db2.gz HNBQHADDNVEANS-UHFFFAOYSA-N 1 1 386.492 4.420 20 0 GIADMO Cc1ccc(CN(C)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000175510478 822987060 /nfs/dbraw/zinc/98/70/60/822987060.db2.gz AQSKFKWVTQIRIJ-QAPCUYQASA-N 1 1 377.579 4.343 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC2(c3ccccc3F)CC2)[C@@H]1c1cccs1 ZINC000175515147 822988512 /nfs/dbraw/zinc/98/85/12/822988512.db2.gz QCJXDEGKQOATQS-DNVCBOLYSA-N 1 1 387.524 4.259 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CC3(CC3)c3ccccc32)[C@@H]1c1cccs1 ZINC000175517151 822989175 /nfs/dbraw/zinc/98/91/75/822989175.db2.gz JYQJTHAINAJKGT-OXQOHEQNSA-N 1 1 381.545 4.392 20 0 GIADMO Cc1cc(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c(C)o1 ZINC000175532547 822992085 /nfs/dbraw/zinc/99/20/85/822992085.db2.gz SBDCKUXSMDVKTH-SFHVURJKSA-N 1 1 394.437 4.423 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000175554704 822996257 /nfs/dbraw/zinc/99/62/57/822996257.db2.gz GUWGDZNJFPGWMA-MRXNPFEDSA-N 1 1 379.495 4.151 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ncc(Br)cc1F ZINC000187009818 822996963 /nfs/dbraw/zinc/99/69/63/822996963.db2.gz OSNLAJZHAAFKBB-GFCCVEGCSA-N 1 1 375.245 4.020 20 0 GIADMO CC(=O)Nc1sc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)nc1-c1ccccc1 ZINC000187017036 822998378 /nfs/dbraw/zinc/99/83/78/822998378.db2.gz RGPXVVVTMJNRNK-GOSISDBHSA-N 1 1 394.500 4.010 20 0 GIADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187029686 823000631 /nfs/dbraw/zinc/00/06/31/823000631.db2.gz PATZICWTVQSECK-CQSZACIVSA-N 1 1 396.409 4.259 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ncc(Br)cc1F ZINC000187038952 823002221 /nfs/dbraw/zinc/00/22/21/823002221.db2.gz FUXDLUIAMBKVLW-ZDUSSCGKSA-N 1 1 389.272 4.079 20 0 GIADMO Cc1csc([C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C2CC2)n1 ZINC000175585390 823002437 /nfs/dbraw/zinc/00/24/37/823002437.db2.gz XSTSIFVKTNSFDF-NSISKUIASA-N 1 1 398.576 4.255 20 0 GIADMO C[C@H](c1ccc(NC(=O)NCc2cc3c(s2)CCCC3)cc1)[NH+]1CCOCC1 ZINC000570077442 823003906 /nfs/dbraw/zinc/00/39/06/823003906.db2.gz DSMQDLBSIRMDBK-MRXNPFEDSA-N 1 1 399.560 4.342 20 0 GIADMO Cc1nc2ccc(-c3noc(-c4ccccc4C[NH+]4CCOCC4)n3)cc2s1 ZINC000570127713 823008228 /nfs/dbraw/zinc/00/82/28/823008228.db2.gz ZYLHJHBKHPORJW-UHFFFAOYSA-N 1 1 392.484 4.154 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCCn2ccnc2)o1 ZINC000570128968 823008441 /nfs/dbraw/zinc/00/84/41/823008441.db2.gz RPMWWVNPBJGNMC-UHFFFAOYSA-N 1 1 375.476 4.159 20 0 GIADMO Cc1nc(C)c([C@H](C)N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000175631108 823009895 /nfs/dbraw/zinc/00/98/95/823009895.db2.gz ZPVVVPNIFXTPJL-WBVHZDCISA-N 1 1 388.581 4.373 20 0 GIADMO COc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c(Br)c1 ZINC000570151572 823010714 /nfs/dbraw/zinc/01/07/14/823010714.db2.gz AHFACQWEBKHFCR-SFHVURJKSA-N 1 1 398.341 4.008 20 0 GIADMO Cc1cccnc1CCc1noc([C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)n1 ZINC000570163247 823011412 /nfs/dbraw/zinc/01/14/12/823011412.db2.gz FSJKSQAKMUFEEN-GOSISDBHSA-N 1 1 398.457 4.183 20 0 GIADMO COc1cc(C2(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)ccc1C ZINC000570164959 823011704 /nfs/dbraw/zinc/01/17/04/823011704.db2.gz ZDVBAEMETHERPS-DENIHFKCSA-N 1 1 392.543 4.062 20 0 GIADMO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ncc(Br)cc2F)N(C)C)cc1 ZINC000187109959 823011731 /nfs/dbraw/zinc/01/17/31/823011731.db2.gz WPQJTFSJIXRRFW-CXAGYDPISA-N 1 1 380.305 4.245 20 0 GIADMO C[C@@H](CCNC(=O)N1CCC(OC2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175644237 823011974 /nfs/dbraw/zinc/01/19/74/823011974.db2.gz MOXZCPGDAKHBKB-IBGZPJMESA-N 1 1 387.568 4.030 20 0 GIADMO CCOC(=O)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000570190940 823013625 /nfs/dbraw/zinc/01/36/25/823013625.db2.gz XVWZPDQHIQYBJJ-AUSIDOKSSA-N 1 1 380.532 4.313 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000570204502 823015053 /nfs/dbraw/zinc/01/50/53/823015053.db2.gz GXUSBNXRSLEVDP-APWZRJJASA-N 1 1 383.923 4.112 20 0 GIADMO O=C(NCCc1csc(-c2ccccc2)n1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000175662406 823015157 /nfs/dbraw/zinc/01/51/57/823015157.db2.gz OXCXDZQEVAIDSG-UHFFFAOYSA-N 1 1 398.576 4.013 20 0 GIADMO 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/nfs/dbraw/zinc/56/26/20/823562620.db2.gz NIZZMLUOOWLPSZ-OAHLLOKOSA-N 1 1 396.441 4.128 20 0 GIADMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411337462 823565170 /nfs/dbraw/zinc/56/51/70/823565170.db2.gz VJWNOLOAFJUCAR-LJQANCHMSA-N 1 1 385.895 4.008 20 0 GIADMO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411337462 823565173 /nfs/dbraw/zinc/56/51/73/823565173.db2.gz VJWNOLOAFJUCAR-LJQANCHMSA-N 1 1 385.895 4.008 20 0 GIADMO CCC[N@@H+](CCC(=O)Nc1ccccc1Br)C[C@H]1CCCCO1 ZINC000411370915 823567137 /nfs/dbraw/zinc/56/71/37/823567137.db2.gz VUDWZSIQVIOSDM-OAHLLOKOSA-N 1 1 383.330 4.059 20 0 GIADMO COCCCOc1cccc(C[NH2+][C@H](C)c2nc(-c3ccncc3)cs2)c1 ZINC000124099385 823567470 /nfs/dbraw/zinc/56/74/70/823567470.db2.gz MHMOYBMJIOCDKT-MRXNPFEDSA-N 1 1 383.517 4.471 20 0 GIADMO CCN1CC[C@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382761 823568162 /nfs/dbraw/zinc/56/81/62/823568162.db2.gz FSJITHKBVMZYSA-QMHWCDLVSA-N 1 1 399.604 4.006 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382761 823568163 /nfs/dbraw/zinc/56/81/63/823568163.db2.gz FSJITHKBVMZYSA-QMHWCDLVSA-N 1 1 399.604 4.006 20 0 GIADMO COc1cccc(-c2nc(CN3CC[NH+](Cc4cccs4)CC3)cs2)c1 ZINC000060942627 823568293 /nfs/dbraw/zinc/56/82/93/823568293.db2.gz SWUYOJXPPYOYAD-UHFFFAOYSA-N 1 1 385.558 4.198 20 0 GIADMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H]1CCOC2(CCCC2)C1 ZINC000124117870 823569121 /nfs/dbraw/zinc/56/91/21/823569121.db2.gz HYOOPKJOANJGAN-QHCPKHFHSA-N 1 1 392.543 4.297 20 0 GIADMO COc1cc(C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C2CC2)ccc1O ZINC000411404452 823570795 /nfs/dbraw/zinc/57/07/95/823570795.db2.gz AJATVSDATVORPS-UHFFFAOYSA-N 1 1 399.878 4.311 20 0 GIADMO COc1cc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1OCc1ccncc1 ZINC000060978691 823570823 /nfs/dbraw/zinc/57/08/23/823570823.db2.gz BFWIXNSJRDBKNT-BGYRXZFFSA-N 1 1 397.563 4.127 20 0 GIADMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(OC(F)F)c1 ZINC000124136861 823570926 /nfs/dbraw/zinc/57/09/26/823570926.db2.gz BUUGEBMUMJWEHX-ZSZQSSIHSA-N 1 1 393.478 4.007 20 0 GIADMO COc1cccc(C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n1 ZINC000124138812 823571119 /nfs/dbraw/zinc/57/11/19/823571119.db2.gz SBFSDFGUXLMPHS-HXUWFJFHSA-N 1 1 376.435 4.110 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1ccncc1)Nc1ccc(Br)cc1F ZINC000411415400 823571673 /nfs/dbraw/zinc/57/16/73/823571673.db2.gz JQQDUJPHNXUNEV-QGZVFWFLSA-N 1 1 392.272 4.149 20 0 GIADMO CC[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccncc1 ZINC000411422108 823572294 /nfs/dbraw/zinc/57/22/94/823572294.db2.gz JDHYIBGMRIFZRW-JOCHJYFZSA-N 1 1 379.529 4.261 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000411425235 823572764 /nfs/dbraw/zinc/57/27/64/823572764.db2.gz GBGJKRUBXUDWAL-HXUWFJFHSA-N 1 1 376.460 4.368 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1ncc[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000411425235 823572765 /nfs/dbraw/zinc/57/27/65/823572765.db2.gz GBGJKRUBXUDWAL-HXUWFJFHSA-N 1 1 376.460 4.368 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000411433965 823573808 /nfs/dbraw/zinc/57/38/08/823573808.db2.gz YZHMOWQUHGADEX-DNVCBOLYSA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000411433965 823573809 /nfs/dbraw/zinc/57/38/09/823573809.db2.gz YZHMOWQUHGADEX-DNVCBOLYSA-N 1 1 388.895 4.139 20 0 GIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCN1CCCC1 ZINC000061030854 823574307 /nfs/dbraw/zinc/57/43/07/823574307.db2.gz OKMYWHKMKUZPHS-UHFFFAOYSA-N 1 1 386.849 4.038 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(F)F)c1C ZINC000411442926 823574572 /nfs/dbraw/zinc/57/45/72/823574572.db2.gz HUDOUQNENJUCHT-WCQYABFASA-N 1 1 378.419 4.358 20 0 GIADMO CCC(CC)[C@H]([NH2+]Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)c1cccs1 ZINC000411446692 823575129 /nfs/dbraw/zinc/57/51/29/823575129.db2.gz CCLAQDNVIDNYNH-IBGZPJMESA-N 1 1 399.516 4.451 20 0 GIADMO O=C(CC[N@@H+](Cc1ccccn1)C1CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411452856 823576303 /nfs/dbraw/zinc/57/63/03/823576303.db2.gz WIIJVYSPWQAPJK-HSZRJFAPSA-N 1 1 391.540 4.403 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411456040 823576653 /nfs/dbraw/zinc/57/66/53/823576653.db2.gz MGDAGULLMVSAKI-FGTMMUONSA-N 1 1 379.504 4.447 20 0 GIADMO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCc2ccccc2)c1 ZINC000190454426 823576757 /nfs/dbraw/zinc/57/67/57/823576757.db2.gz AXCOQFNXLSTSJL-PKOBYXMFSA-N 1 1 397.519 4.221 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](CC(C)C)c1ccccc1C)[nH]c2=O ZINC000411458495 823577048 /nfs/dbraw/zinc/57/70/48/823577048.db2.gz JCGPFHNFTTYLEM-LJQANCHMSA-N 1 1 393.487 4.307 20 0 GIADMO CC(=O)c1cc(F)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1F ZINC000461102280 823577672 /nfs/dbraw/zinc/57/76/72/823577672.db2.gz IUFNUAUCSPGGJV-OAHLLOKOSA-N 1 1 390.405 4.157 20 0 GIADMO CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1c[nH]c2ccccc12 ZINC000190465386 823578114 /nfs/dbraw/zinc/57/81/14/823578114.db2.gz LRDLTNVXKUFZGY-UHFFFAOYSA-N 1 1 390.512 4.412 20 0 GIADMO CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1c[nH]c2ccccc12 ZINC000190465386 823578116 /nfs/dbraw/zinc/57/81/16/823578116.db2.gz LRDLTNVXKUFZGY-UHFFFAOYSA-N 1 1 390.512 4.412 20 0 GIADMO O=c1c2cc(-c3ccccc3)sc2ncn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000061111582 823578687 /nfs/dbraw/zinc/57/86/87/823578687.db2.gz LKUPYHPHEHUXED-UHFFFAOYSA-N 1 1 392.871 4.474 20 0 GIADMO CC(C)[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)c1nc(C2CC2)no1 ZINC000411495646 823581380 /nfs/dbraw/zinc/58/13/80/823581380.db2.gz VZZMBTWLJXWDPO-INIZCTEOSA-N 1 1 387.871 4.180 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1C1CCOCC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411494315 823581384 /nfs/dbraw/zinc/58/13/84/823581384.db2.gz JFYBDKLDIMXOBF-REWPJTCUSA-N 1 1 398.572 4.235 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1C1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000411500634 823581850 /nfs/dbraw/zinc/58/18/50/823581850.db2.gz RWJLFYVNRRXFME-HSZRJFAPSA-N 1 1 392.543 4.173 20 0 GIADMO O=c1nc(C[NH2+][C@@H](c2cccnc2)C2CC2)[nH]c2scc(-c3ccco3)c21 ZINC000411509790 823582579 /nfs/dbraw/zinc/58/25/79/823582579.db2.gz XGEPTHDXGIGREA-GOSISDBHSA-N 1 1 378.457 4.293 20 0 GIADMO CCS(=O)(=O)CCCCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000190511262 823582547 /nfs/dbraw/zinc/58/25/47/823582547.db2.gz MGIADEHLQOLUSE-UHFFFAOYSA-N 1 1 395.565 4.155 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](CC(C)C)c1cccs1)[nH]c2=O ZINC000411516098 823583516 /nfs/dbraw/zinc/58/35/16/823583516.db2.gz XDRLUKPNNVXLFJ-MRXNPFEDSA-N 1 1 385.489 4.061 20 0 GIADMO CC[C@@H](c1nnc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1)c1ccccc1 ZINC000124314870 823586408 /nfs/dbraw/zinc/58/64/08/823586408.db2.gz OALOWDLBGMVCRR-KURKYZTESA-N 1 1 399.564 4.028 20 0 GIADMO CCOc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000411544573 823586933 /nfs/dbraw/zinc/58/69/33/823586933.db2.gz VAOPZZJMSCAVSI-INIZCTEOSA-N 1 1 379.460 4.420 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000411546954 823587081 /nfs/dbraw/zinc/58/70/81/823587081.db2.gz UPNXXRVEHHPFOR-SFHVURJKSA-N 1 1 398.450 4.129 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000411546954 823587087 /nfs/dbraw/zinc/58/70/87/823587087.db2.gz UPNXXRVEHHPFOR-SFHVURJKSA-N 1 1 398.450 4.129 20 0 GIADMO CSc1ccccc1NC(=O)CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000411547339 823587291 /nfs/dbraw/zinc/58/72/91/823587291.db2.gz BZCRUXBCZVNLEX-QUCCMNQESA-N 1 1 397.588 4.237 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)C1 ZINC000124329402 823587795 /nfs/dbraw/zinc/58/77/95/823587795.db2.gz HSBBIDLMGCPGAG-INIZCTEOSA-N 1 1 393.959 4.032 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)cn1)c1cc(F)cc(Br)c1 ZINC000411563251 823588360 /nfs/dbraw/zinc/58/83/60/823588360.db2.gz QBOSBCVEZCZRCM-MRXNPFEDSA-N 1 1 381.245 4.011 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC[N@H+]1C ZINC000124363731 823590406 /nfs/dbraw/zinc/59/04/06/823590406.db2.gz NAGMMGCBYXVQQV-GDBMZVCRSA-N 1 1 398.551 4.244 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1nc2ccccc2n1C(F)F ZINC000411611811 823590705 /nfs/dbraw/zinc/59/07/05/823590705.db2.gz KXHFBDMYEDIWRU-MLGOLLRUSA-N 1 1 388.393 4.027 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411629108 823592293 /nfs/dbraw/zinc/59/22/93/823592293.db2.gz AXCJYGIIDRUEKQ-UHFFFAOYSA-N 1 1 397.350 4.493 20 0 GIADMO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000124395815 823593201 /nfs/dbraw/zinc/59/32/01/823593201.db2.gz RTMCQFJVBSOQRQ-LJQANCHMSA-N 1 1 376.504 4.052 20 0 GIADMO CCCCOc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000190645754 823594819 /nfs/dbraw/zinc/59/48/19/823594819.db2.gz MANIIQFCBNXVOI-YJBOKZPZSA-N 1 1 381.948 4.001 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1cc[nH]n1)Nc1ccc(OCc2ccccc2)cc1 ZINC000411656866 823595028 /nfs/dbraw/zinc/59/50/28/823595028.db2.gz RXJWIBMMIUKMPZ-QFIPXVFZSA-N 1 1 390.487 4.154 20 0 GIADMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CCc1ccccn1 ZINC000124433750 823596354 /nfs/dbraw/zinc/59/63/54/823596354.db2.gz SMNJISCYTSEBIN-ZDUSSCGKSA-N 1 1 376.382 4.386 20 0 GIADMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCc1ccccn1 ZINC000124433750 823596358 /nfs/dbraw/zinc/59/63/58/823596358.db2.gz SMNJISCYTSEBIN-ZDUSSCGKSA-N 1 1 376.382 4.386 20 0 GIADMO CC[N@H+](Cc1ccc(S(C)(=O)=O)o1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000411672268 823596373 /nfs/dbraw/zinc/59/63/73/823596373.db2.gz GTDHAXRECUHJGW-CYBMUJFWSA-N 1 1 389.439 4.155 20 0 GIADMO CC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000411672268 823596377 /nfs/dbraw/zinc/59/63/77/823596377.db2.gz GTDHAXRECUHJGW-CYBMUJFWSA-N 1 1 389.439 4.155 20 0 GIADMO C[C@H]([NH2+]CCC(=O)NCc1ccccc1Cl)c1nc(C(F)(F)F)cs1 ZINC000411683618 823596838 /nfs/dbraw/zinc/59/68/38/823596838.db2.gz HKRKUAKZETYMSN-JTQLQIEISA-N 1 1 391.846 4.172 20 0 GIADMO C[C@@H](NC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)c1cc2ccccc2o1 ZINC000190686476 823598394 /nfs/dbraw/zinc/59/83/94/823598394.db2.gz HIBDALXVJRSIMT-MJGOQNOKSA-N 1 1 392.503 4.052 20 0 GIADMO O=C(CC[NH2+]C1(C(F)F)CCCCC1)Nc1ccccc1Br ZINC000411720392 823599791 /nfs/dbraw/zinc/59/97/91/823599791.db2.gz PQIUKXVSRILXLA-UHFFFAOYSA-N 1 1 375.257 4.335 20 0 GIADMO C[C@@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000061501105 823600035 /nfs/dbraw/zinc/60/00/35/823600035.db2.gz NDIZWGOSXUYVDL-MRXNPFEDSA-N 1 1 391.462 4.170 20 0 GIADMO CCCCn1ncc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1C ZINC000124507737 823602395 /nfs/dbraw/zinc/60/23/95/823602395.db2.gz FUMOSXHXBMSUFF-UHFFFAOYSA-N 1 1 394.519 4.147 20 0 GIADMO CCCCn1ncc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1C ZINC000124507737 823602397 /nfs/dbraw/zinc/60/23/97/823602397.db2.gz FUMOSXHXBMSUFF-UHFFFAOYSA-N 1 1 394.519 4.147 20 0 GIADMO CC(C)([NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21)c1cc(C(F)(F)F)on1 ZINC000411756265 823602815 /nfs/dbraw/zinc/60/28/15/823602815.db2.gz IMKMQTKPBXJXRW-OAHLLOKOSA-N 1 1 395.425 4.102 20 0 GIADMO C[C@H]1Cc2[nH+]cn(CCC(=O)Nc3ccc(Br)cc3F)c2C[C@@H]1C ZINC000411779053 823604220 /nfs/dbraw/zinc/60/42/20/823604220.db2.gz CJNYUNXSQRINTJ-RYUDHWBXSA-N 1 1 394.288 4.184 20 0 GIADMO C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)O2)C2(CCCC2)CN1C[C@@H]1CCC(C)(C)O1 ZINC000411788437 823604854 /nfs/dbraw/zinc/60/48/54/823604854.db2.gz LKIBYNSSQVZSSD-AABGKKOBSA-N 1 1 378.601 4.221 20 0 GIADMO C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)C2(CCCC2)C[N@@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000411788437 823604856 /nfs/dbraw/zinc/60/48/56/823604856.db2.gz LKIBYNSSQVZSSD-AABGKKOBSA-N 1 1 378.601 4.221 20 0 GIADMO C[C@@H]1CN(C[C@@H]2CCC(C)(C)O2)C2(CCCC2)C[N@H+]1C[C@@H]1CCC(C)(C)O1 ZINC000411788437 823604859 /nfs/dbraw/zinc/60/48/59/823604859.db2.gz LKIBYNSSQVZSSD-AABGKKOBSA-N 1 1 378.601 4.221 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000061576907 823605010 /nfs/dbraw/zinc/60/50/10/823605010.db2.gz HFNLZSYSYRCKOK-IYBDPMFKSA-N 1 1 386.458 4.002 20 0 GIADMO CC(C)n1c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2nc1C(F)(F)F ZINC000124544794 823605053 /nfs/dbraw/zinc/60/50/53/823605053.db2.gz JUWATRUHUAKCKB-DZGCQCFKSA-N 1 1 396.457 4.191 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NC[C@H](Cc3ccccc3)C(C)C)CC2)[nH+]c1 ZINC000190751485 823605117 /nfs/dbraw/zinc/60/51/17/823605117.db2.gz SUYUXCVWYLJYIF-QFIPXVFZSA-N 1 1 379.548 4.238 20 0 GIADMO Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124548567 823605520 /nfs/dbraw/zinc/60/55/20/823605520.db2.gz LRAQYEMCNQWQRQ-RTWAWAEBSA-N 1 1 397.563 4.150 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000461255412 823605962 /nfs/dbraw/zinc/60/59/62/823605962.db2.gz CTSDMGIFDUDRGL-INIZCTEOSA-N 1 1 377.941 4.410 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000461257592 823606418 /nfs/dbraw/zinc/60/64/18/823606418.db2.gz MYRYVOCHGFTUNP-QGZVFWFLSA-N 1 1 396.959 4.474 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000461260991 823607304 /nfs/dbraw/zinc/60/73/04/823607304.db2.gz WATCEGVAXABAKO-IBGZPJMESA-N 1 1 398.551 4.272 20 0 GIADMO COc1cccc(C[NH2+]Cc2cc(Br)c(Cl)s2)c1OC ZINC000190796507 823610124 /nfs/dbraw/zinc/61/01/24/823610124.db2.gz ZZFJVDUDIOPLKA-UHFFFAOYSA-N 1 1 376.703 4.471 20 0 GIADMO CCn1c(SCCCCn2cc[nH+]c2C)nc2sc(C)c(C)c2c1=O ZINC000124593536 823609263 /nfs/dbraw/zinc/60/92/63/823609263.db2.gz KZMMQKDACJNBDM-UHFFFAOYSA-N 1 1 376.551 4.172 20 0 GIADMO COc1ccc(OC(F)F)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000124591887 823609271 /nfs/dbraw/zinc/60/92/71/823609271.db2.gz NVUPPGSVPWJKEF-FQEVSTJZSA-N 1 1 377.431 4.242 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCSc1ccc(Br)cc1 ZINC000461274708 823610648 /nfs/dbraw/zinc/61/06/48/823610648.db2.gz ZCUKQNDVKGLLGA-MRXNPFEDSA-N 1 1 399.398 4.264 20 0 GIADMO Cc1cc(-n2cccn2)ccc1NC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000190809432 823611803 /nfs/dbraw/zinc/61/18/03/823611803.db2.gz DXRTUZQPAJURKO-UHFFFAOYSA-N 1 1 391.519 4.343 20 0 GIADMO Cc1cccc(C)c1OCCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788689 823614282 /nfs/dbraw/zinc/61/42/82/823614282.db2.gz ZZVRMFZMRXYGDS-UHFFFAOYSA-N 1 1 399.560 4.053 20 0 GIADMO O=C(NCCc1ccccc1Cl)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788908 823614320 /nfs/dbraw/zinc/61/43/20/823614320.db2.gz YAEAHIVUYSSGSQ-UHFFFAOYSA-N 1 1 389.952 4.253 20 0 GIADMO O=C(NCCc1ccc(Cl)cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789650 823614455 /nfs/dbraw/zinc/61/44/55/823614455.db2.gz AEFFKTIOPYGVAN-UHFFFAOYSA-N 1 1 389.952 4.253 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCSc2ccc(F)cc2)c1 ZINC000061795212 823615284 /nfs/dbraw/zinc/61/52/84/823615284.db2.gz UTKZTTROGRVVHC-UHFFFAOYSA-N 1 1 389.540 4.259 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)c(OC)c1 ZINC000411940867 823615364 /nfs/dbraw/zinc/61/53/64/823615364.db2.gz LJEADRIYWANRSA-XLIONFOSSA-N 1 1 396.512 4.135 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)c(OC)c1 ZINC000411940867 823615366 /nfs/dbraw/zinc/61/53/66/823615366.db2.gz LJEADRIYWANRSA-XLIONFOSSA-N 1 1 396.512 4.135 20 0 GIADMO CC(C)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000124669006 823615737 /nfs/dbraw/zinc/61/57/37/823615737.db2.gz BRWKZKRWWSFGJA-DHIUTWEWSA-N 1 1 385.596 4.219 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cccnc2SCc2ccc(F)cc2)CC[N@H+]1C ZINC000124671310 823615965 /nfs/dbraw/zinc/61/59/65/823615965.db2.gz PUGBFEGIGWQWRH-QAPCUYQASA-N 1 1 387.524 4.068 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)nc2c1 ZINC000061864520 823616431 /nfs/dbraw/zinc/61/64/31/823616431.db2.gz AYIFSGXDHYFKCX-RXVVDRJESA-N 1 1 397.567 4.372 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)[nH]c2c1 ZINC000061864520 823616432 /nfs/dbraw/zinc/61/64/32/823616432.db2.gz AYIFSGXDHYFKCX-RXVVDRJESA-N 1 1 397.567 4.372 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)[nH]c2c1 ZINC000061864520 823616433 /nfs/dbraw/zinc/61/64/33/823616433.db2.gz AYIFSGXDHYFKCX-RXVVDRJESA-N 1 1 397.567 4.372 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(C)c1 ZINC000411996016 823619377 /nfs/dbraw/zinc/61/93/77/823619377.db2.gz FUMNYHFPOUBYLQ-QHCPKHFHSA-N 1 1 378.516 4.404 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(C)c1 ZINC000411996016 823619379 /nfs/dbraw/zinc/61/93/79/823619379.db2.gz FUMNYHFPOUBYLQ-QHCPKHFHSA-N 1 1 378.516 4.404 20 0 GIADMO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001475 823620412 /nfs/dbraw/zinc/62/04/12/823620412.db2.gz QBXYSWOYQAJJOU-AUSIDOKSSA-N 1 1 390.527 4.208 20 0 GIADMO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001475 823620414 /nfs/dbraw/zinc/62/04/14/823620414.db2.gz QBXYSWOYQAJJOU-AUSIDOKSSA-N 1 1 390.527 4.208 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001163 823620454 /nfs/dbraw/zinc/62/04/54/823620454.db2.gz PKUUWUHIMBJTLG-AVRDEDQJSA-N 1 1 378.516 4.430 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001163 823620455 /nfs/dbraw/zinc/62/04/55/823620455.db2.gz PKUUWUHIMBJTLG-AVRDEDQJSA-N 1 1 378.516 4.430 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000412001807 823620681 /nfs/dbraw/zinc/62/06/81/823620681.db2.gz REGZUCCVILZVLV-VWNXMTODSA-N 1 1 390.527 4.034 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000412001807 823620682 /nfs/dbraw/zinc/62/06/82/823620682.db2.gz REGZUCCVILZVLV-VWNXMTODSA-N 1 1 390.527 4.034 20 0 GIADMO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000412006062 823621506 /nfs/dbraw/zinc/62/15/06/823621506.db2.gz BGVKAOJOMQNZHY-NZQKXSOJSA-N 1 1 390.527 4.002 20 0 GIADMO C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)Oc1ccccc1Cl ZINC000461349878 823621778 /nfs/dbraw/zinc/62/17/78/823621778.db2.gz DTJHYIDKUMCOAO-ACJLOTCBSA-N 1 1 381.303 4.180 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2ncc(-c3ccccc3F)o2)c2ccccc2)CCOCC1 ZINC000412007332 823621794 /nfs/dbraw/zinc/62/17/94/823621794.db2.gz FJCXVEKAXATLAS-QFIPXVFZSA-N 1 1 396.462 4.101 20 0 GIADMO CSc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412007733 823621993 /nfs/dbraw/zinc/62/19/93/823621993.db2.gz DQJFOJUVCJNALJ-SIKLNZKXSA-N 1 1 399.556 4.002 20 0 GIADMO COc1cc2c(c(C[NH2+]C3(c4ccc(F)cc4F)CCOCC3)c1)O[C@@H](C)C2 ZINC000124747787 823623002 /nfs/dbraw/zinc/62/30/02/823623002.db2.gz FABZEWUXDHOOSR-AWEZNQCLSA-N 1 1 389.442 4.092 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000412038095 823623699 /nfs/dbraw/zinc/62/36/99/823623699.db2.gz IZYKFLIZOBLMMB-UHFFFAOYSA-N 1 1 376.884 4.208 20 0 GIADMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)C[C@@H]2C1 ZINC000412041625 823623846 /nfs/dbraw/zinc/62/38/46/823623846.db2.gz NJRXNJQZYVUMFF-WSTZPKSXSA-N 1 1 395.934 4.331 20 0 GIADMO C[C@H](c1ccc(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000412038530 823623898 /nfs/dbraw/zinc/62/38/98/823623898.db2.gz XMYUXXYRVMPSLF-DYESRHJHSA-N 1 1 394.515 4.363 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000412054133 823624325 /nfs/dbraw/zinc/62/43/25/823624325.db2.gz HMIQXSBWKFJVEH-AWEZNQCLSA-N 1 1 391.487 4.065 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000412054133 823624326 /nfs/dbraw/zinc/62/43/26/823624326.db2.gz HMIQXSBWKFJVEH-AWEZNQCLSA-N 1 1 391.487 4.065 20 0 GIADMO Cc1ccccc1Nc1nc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cs1 ZINC000412052638 823624338 /nfs/dbraw/zinc/62/43/38/823624338.db2.gz CWVRJSHXODESAM-SFHVURJKSA-N 1 1 384.549 4.172 20 0 GIADMO Cc1ccccc1Nc1nc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cs1 ZINC000412052638 823624339 /nfs/dbraw/zinc/62/43/39/823624339.db2.gz CWVRJSHXODESAM-SFHVURJKSA-N 1 1 384.549 4.172 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)CC1 ZINC000412058861 823624775 /nfs/dbraw/zinc/62/47/75/823624775.db2.gz VVGFGGNNRYGZPR-HNNXBMFYSA-N 1 1 385.733 4.079 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)CC1 ZINC000412058861 823624776 /nfs/dbraw/zinc/62/47/76/823624776.db2.gz VVGFGGNNRYGZPR-HNNXBMFYSA-N 1 1 385.733 4.079 20 0 GIADMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060589 823625113 /nfs/dbraw/zinc/62/51/13/823625113.db2.gz GGWOMKYKKUGWMN-CVEARBPZSA-N 1 1 385.508 4.230 20 0 GIADMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060589 823625115 /nfs/dbraw/zinc/62/51/15/823625115.db2.gz GGWOMKYKKUGWMN-CVEARBPZSA-N 1 1 385.508 4.230 20 0 GIADMO Cc1ccccc1Cc1nnc(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)o1 ZINC000412073408 823625788 /nfs/dbraw/zinc/62/57/88/823625788.db2.gz QEADWQSNKLIEOL-SFHVURJKSA-N 1 1 399.535 4.303 20 0 GIADMO Cc1ccccc1Cc1nnc(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)o1 ZINC000412073408 823625789 /nfs/dbraw/zinc/62/57/89/823625789.db2.gz QEADWQSNKLIEOL-SFHVURJKSA-N 1 1 399.535 4.303 20 0 GIADMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)C12CCC2 ZINC000461401614 823629865 /nfs/dbraw/zinc/62/98/65/823629865.db2.gz MCOXXCOQTJMQTO-MSOLQXFVSA-N 1 1 387.549 4.456 20 0 GIADMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3cc4c(s3)CCCC4)o2)C12CCC2 ZINC000461401614 823629868 /nfs/dbraw/zinc/62/98/68/823629868.db2.gz MCOXXCOQTJMQTO-MSOLQXFVSA-N 1 1 387.549 4.456 20 0 GIADMO CC(C)c1cc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000124858495 823631652 /nfs/dbraw/zinc/63/16/52/823631652.db2.gz VDYHQTQRIJKFBB-FZKQIMNGSA-N 1 1 379.863 4.013 20 0 GIADMO CC(C)c1cc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000124858495 823631655 /nfs/dbraw/zinc/63/16/55/823631655.db2.gz VDYHQTQRIJKFBB-FZKQIMNGSA-N 1 1 379.863 4.013 20 0 GIADMO O=C(N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1(Cc2ccc(F)cc2)CC1 ZINC000461420587 823632781 /nfs/dbraw/zinc/63/27/81/823632781.db2.gz BHPYQXTYYGFNDK-FGZHOGPDSA-N 1 1 392.518 4.129 20 0 GIADMO O=C(CCCc1ccc(F)c(F)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461420426 823632799 /nfs/dbraw/zinc/63/27/99/823632799.db2.gz ARFJNXUBRFAHRX-SFTDATJTSA-N 1 1 398.497 4.268 20 0 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KEGGKDPSINIJFS-UHFFFAOYSA-N 1 1 398.486 4.023 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)C1 ZINC000126243396 823819773 /nfs/dbraw/zinc/81/97/73/823819773.db2.gz BUQBDXQFSCUWCV-HOTGVXAUSA-N 1 1 380.602 4.169 20 0 GIADMO Cc1noc(C)c1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064448244 823820509 /nfs/dbraw/zinc/82/05/09/823820509.db2.gz IYMHQWNGJDBEGC-UHFFFAOYSA-N 1 1 395.425 4.047 20 0 GIADMO O=C(NCC1(Sc2ccccc2)CCCC1)c1cc(C[NH+]2CCCC2)on1 ZINC000462079284 823821689 /nfs/dbraw/zinc/82/16/89/823821689.db2.gz DSRQLNSBJJDXDZ-UHFFFAOYSA-N 1 1 385.533 4.105 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)CCc1ccccc1 ZINC000164985326 823828533 /nfs/dbraw/zinc/82/85/33/823828533.db2.gz CXVTTWWKLYDAIY-UHFFFAOYSA-N 1 1 390.531 4.382 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c(F)c1 ZINC000164984118 823828552 /nfs/dbraw/zinc/82/85/52/823828552.db2.gz PEUXEABSKQBRMI-HNNXBMFYSA-N 1 1 382.435 4.208 20 0 GIADMO Cc1cc(C)cc(OCC[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000064482073 823828695 /nfs/dbraw/zinc/82/86/95/823828695.db2.gz VYVMPOQFSFQLMH-UHFFFAOYSA-N 1 1 386.923 4.184 20 0 GIADMO CC(C)[C@@H](CCO)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000462111251 823830739 /nfs/dbraw/zinc/83/07/39/823830739.db2.gz ZAHOFCUPCIRVDN-QGZVFWFLSA-N 1 1 384.549 4.239 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000126295483 823832613 /nfs/dbraw/zinc/83/26/13/823832613.db2.gz DQKFINHQZKVRJP-GOTSBHOMSA-N 1 1 386.486 4.092 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@@H]2NC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000126295483 823832623 /nfs/dbraw/zinc/83/26/23/823832623.db2.gz DQKFINHQZKVRJP-GOTSBHOMSA-N 1 1 386.486 4.092 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H](C)CC(F)(F)F ZINC000413753012 823834231 /nfs/dbraw/zinc/83/42/31/823834231.db2.gz XDXWQVKMHQWWRB-SJLPKXTDSA-N 1 1 385.474 4.129 20 0 GIADMO CC(C)Oc1cccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000064521161 823834648 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Cc1cccc(NCCNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)[nH+]1 ZINC000462124455 823836846 /nfs/dbraw/zinc/83/68/46/823836846.db2.gz FXANYZXVVJPRDB-GFCCVEGCSA-N 1 1 394.288 4.014 20 0 GIADMO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)o1 ZINC000165295067 823842522 /nfs/dbraw/zinc/84/25/22/823842522.db2.gz WUURUNZVYODCBB-UZLBHIALSA-N 1 1 383.492 4.134 20 0 GIADMO CCC[N@@H+](C)[C@H](CNC(=O)c1cn(C)nc1C1CCC1)c1ccc(Cl)cc1 ZINC000413807948 823843454 /nfs/dbraw/zinc/84/34/54/823843454.db2.gz QORIZABEUQAHTJ-LJQANCHMSA-N 1 1 388.943 4.154 20 0 GIADMO COc1ccc(C[C@@](C)(O)CNc2cc[nH+]c3cc(Cl)ccc23)cc1OC ZINC000574852635 823843616 /nfs/dbraw/zinc/84/36/16/823843616.db2.gz AYQAYZXQLDAYJC-OAQYLSRUSA-N 1 1 386.879 4.311 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)n2)ccc1F ZINC000192055894 823845383 /nfs/dbraw/zinc/84/53/83/823845383.db2.gz QQUAOVFMACBBNV-HKUYNNGSSA-N 1 1 387.842 4.457 20 0 GIADMO Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000192055736 823845546 /nfs/dbraw/zinc/84/55/46/823845546.db2.gz ASOIVRLIKYCAJI-UHFFFAOYSA-N 1 1 384.524 4.012 20 0 GIADMO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nnnn1C1CCCCC1 ZINC000192056445 823845994 /nfs/dbraw/zinc/84/59/94/823845994.db2.gz SISZWIKODIOOBD-DOPJRALCSA-N 1 1 375.904 4.013 20 0 GIADMO CCOc1ccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000064563625 823846894 /nfs/dbraw/zinc/84/68/94/823846894.db2.gz QKRDEPVDEHZJEM-ZIAGYGMSSA-N 1 1 387.446 4.346 20 0 GIADMO Cc1ccc([C@H](CNS(=O)(=O)c2ccccc2C(C)(C)C)[NH+]2CCCC2)o1 ZINC000462155551 823847059 /nfs/dbraw/zinc/84/70/59/823847059.db2.gz JRKQNPKFBUXFJX-SFHVURJKSA-N 1 1 390.549 4.001 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCCc1nc2ccccc2s1 ZINC000462156683 823847838 /nfs/dbraw/zinc/84/78/38/823847838.db2.gz DMUVOHYMZGGBTB-YLJYHZDGSA-N 1 1 393.556 4.256 20 0 GIADMO Cc1cccc2c(CCC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c[nH]c21 ZINC000462157015 823847970 /nfs/dbraw/zinc/84/79/70/823847970.db2.gz FVZSQNVLEOQWQQ-XMSQKQJNSA-N 1 1 375.516 4.046 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000462157390 823848182 /nfs/dbraw/zinc/84/81/82/823848182.db2.gz GQSRSFSRILMORM-NHFHULPWSA-N 1 1 382.470 4.382 20 0 GIADMO Clc1ccc(OCc2nc(CN3CCC[N@H+]4CCC[C@H]4C3)cs2)cc1 ZINC000064570941 823848151 /nfs/dbraw/zinc/84/81/51/823848151.db2.gz JXKLYKSHPVVPMN-KRWDZBQOSA-N 1 1 377.941 4.046 20 0 GIADMO C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1noc(Cc2ccccc2)n1 ZINC000165409397 823848390 /nfs/dbraw/zinc/84/83/90/823848390.db2.gz MRTAFKMXQQCUOB-WFXMLNOXSA-N 1 1 376.504 4.147 20 0 GIADMO COc1ccc2c(c1)C[N@H+](C[C@@H]1CC3(CCC3)C(=O)O1)[C@H](c1ccccc1)C2 ZINC000192071206 823850652 /nfs/dbraw/zinc/85/06/52/823850652.db2.gz VIZOOQHKWYHODG-VXKWHMMOSA-N 1 1 377.484 4.280 20 0 GIADMO CCCOc1ccc(Br)cc1C[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000064614806 823852989 /nfs/dbraw/zinc/85/29/89/823852989.db2.gz AHUZGJRZQSTLBE-UHFFFAOYSA-N 1 1 395.272 4.105 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126385474 823853739 /nfs/dbraw/zinc/85/37/39/823853739.db2.gz JPGRUOZXJPDGIR-HOTGVXAUSA-N 1 1 397.276 4.080 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000126385271 823853768 /nfs/dbraw/zinc/85/37/68/823853768.db2.gz JPGRUOZXJPDGIR-JKSUJKDBSA-N 1 1 397.276 4.080 20 0 GIADMO Fc1cc([C@H]2OCC[C@H]2[NH2+]Cc2nc(-c3ccsc3)no2)ccc1Cl ZINC000192082130 823854039 /nfs/dbraw/zinc/85/40/39/823854039.db2.gz IHLZJKNRGNHXTD-GDBMZVCRSA-N 1 1 379.844 4.210 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000462175367 823854704 /nfs/dbraw/zinc/85/47/04/823854704.db2.gz KVLVCMAAFXKBEL-VFNWGFHPSA-N 1 1 381.907 4.001 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000462175369 823854831 /nfs/dbraw/zinc/85/48/31/823854831.db2.gz KVLVCMAAFXKBEL-YCRPNKLZSA-N 1 1 381.907 4.001 20 0 GIADMO Cc1ccc(C)c(OC2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)c1 ZINC000064632166 823855035 /nfs/dbraw/zinc/85/50/35/823855035.db2.gz RSMHJRVHGXUEPK-UHFFFAOYSA-N 1 1 378.516 4.126 20 0 GIADMO Cc1cc(C)c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1Br ZINC000574897692 823855400 /nfs/dbraw/zinc/85/54/00/823855400.db2.gz NOCWBFFBLXLOEF-UHFFFAOYSA-N 1 1 381.358 4.258 20 0 GIADMO Cc1csc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1Br ZINC000192090438 823856881 /nfs/dbraw/zinc/85/68/81/823856881.db2.gz MVHBGNCVKZILNE-OLZOCXBDSA-N 1 1 385.371 4.202 20 0 GIADMO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000126401616 823857692 /nfs/dbraw/zinc/85/76/92/823857692.db2.gz ZOVPBMMAJAQJMG-AOMKIAJQSA-N 1 1 381.495 4.096 20 0 GIADMO C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1cccc(F)c1F ZINC000165840188 823864315 /nfs/dbraw/zinc/86/43/15/823864315.db2.gz UGWHDLFMIBEQBS-ULQDDVLXSA-N 1 1 379.495 4.322 20 0 GIADMO COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)c1OC ZINC000165949656 823866546 /nfs/dbraw/zinc/86/65/46/823866546.db2.gz WOUBUGKQXWNXJR-HNNXBMFYSA-N 1 1 390.911 4.045 20 0 GIADMO Cc1c(COc2ccccc2)cccc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462200160 823867294 /nfs/dbraw/zinc/86/72/94/823867294.db2.gz FDZFREBCVKXFLI-UHFFFAOYSA-N 1 1 391.471 4.410 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462201886 823867692 /nfs/dbraw/zinc/86/76/92/823867692.db2.gz USVKDFVMXDWGPZ-HNNXBMFYSA-N 1 1 397.466 4.207 20 0 GIADMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N[C@H](CC3CCCC3)c3ccccc3)cc2C1 ZINC000126446312 823869692 /nfs/dbraw/zinc/86/96/92/823869692.db2.gz RQOKMHMJSKALGB-JOCHJYFZSA-N 1 1 391.515 4.008 20 0 GIADMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N[C@H](CC3CCCC3)c3ccccc3)cc2C1 ZINC000126446312 823869697 /nfs/dbraw/zinc/86/96/97/823869697.db2.gz RQOKMHMJSKALGB-JOCHJYFZSA-N 1 1 391.515 4.008 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462205781 823870386 /nfs/dbraw/zinc/87/03/86/823870386.db2.gz GJXXTTGAVBZUIY-KGLIPLIRSA-N 1 1 393.409 4.059 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000064726512 823873152 /nfs/dbraw/zinc/87/31/52/823873152.db2.gz KMJLGMXKSYVSSX-ZNMIVQPWSA-N 1 1 375.563 4.349 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 ZINC000064726507 823873340 /nfs/dbraw/zinc/87/33/40/823873340.db2.gz ZNWSORJTXLOKIZ-JZXOWHBKSA-N 1 1 384.549 4.012 20 0 GIADMO Cc1cc(C)n(-c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c(C(F)(F)F)c2)n1 ZINC000166313652 823875103 /nfs/dbraw/zinc/87/51/03/823875103.db2.gz RATHIKBATHHYGY-QZTJIDSGSA-N 1 1 392.469 4.224 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166374338 823876776 /nfs/dbraw/zinc/87/67/76/823876776.db2.gz WAVUFPPGCDLBJJ-DLBZAZTESA-N 1 1 397.519 4.015 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N3CCC(C[N@H+](C)C(C)C)CC3)cs2)cc1 ZINC000064738574 823876924 /nfs/dbraw/zinc/87/69/24/823876924.db2.gz JIZJLWIYDQFFRB-UHFFFAOYSA-N 1 1 385.577 4.240 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000064739025 823876955 /nfs/dbraw/zinc/87/69/55/823876955.db2.gz QCJUYZSZOVJWON-UHFFFAOYSA-N 1 1 381.929 4.249 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCc2ccc(Cl)cc21 ZINC000064754461 823881130 /nfs/dbraw/zinc/88/11/30/823881130.db2.gz VRRCETIQTMJDOX-HNNXBMFYSA-N 1 1 389.952 4.386 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Oc1ccncc1 ZINC000126488083 823881449 /nfs/dbraw/zinc/88/14/49/823881449.db2.gz CAEZEXCDTJPFDK-SIKLNZKXSA-N 1 1 391.515 4.271 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)co2)cc1 ZINC000166720174 823881667 /nfs/dbraw/zinc/88/16/67/823881667.db2.gz HIKQCRMEBVSUOD-JKSUJKDBSA-N 1 1 384.423 4.067 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)co2)cc1 ZINC000166720174 823881672 /nfs/dbraw/zinc/88/16/72/823881672.db2.gz HIKQCRMEBVSUOD-JKSUJKDBSA-N 1 1 384.423 4.067 20 0 GIADMO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413978865 823882285 /nfs/dbraw/zinc/88/22/85/823882285.db2.gz IOQPYWLVQVHNQH-CZUORRHYSA-N 1 1 396.375 4.146 20 0 GIADMO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413978866 823882475 /nfs/dbraw/zinc/88/24/75/823882475.db2.gz IOQPYWLVQVHNQH-XJKSGUPXSA-N 1 1 396.375 4.146 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000574997339 823882817 /nfs/dbraw/zinc/88/28/17/823882817.db2.gz RNKHRWMLAQGRGZ-INIZCTEOSA-N 1 1 383.517 4.477 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000574997339 823882843 /nfs/dbraw/zinc/88/28/43/823882843.db2.gz RNKHRWMLAQGRGZ-INIZCTEOSA-N 1 1 383.517 4.477 20 0 GIADMO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000575000833 823884019 /nfs/dbraw/zinc/88/40/19/823884019.db2.gz OKEFQTCJTSJKSL-YPAWHYETSA-N 1 1 382.548 4.039 20 0 GIADMO O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000462231900 823885470 /nfs/dbraw/zinc/88/54/70/823885470.db2.gz YMDHSZKTVUPGTD-GOSISDBHSA-N 1 1 397.485 4.068 20 0 GIADMO C[C@](Cc1cccc(Br)c1)([NH2+]Cc1ncccn1)c1ccccc1 ZINC000192159298 823885528 /nfs/dbraw/zinc/88/55/28/823885528.db2.gz GXTAGNGFRLGGOI-HXUWFJFHSA-N 1 1 382.305 4.487 20 0 GIADMO CN1C(=O)C[C@H]([NH2+]Cc2csc(-c3ccoc3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000192159492 823885560 /nfs/dbraw/zinc/88/55/60/823885560.db2.gz QCLLFIADYJPJCN-WMZOPIPTSA-N 1 1 387.892 4.118 20 0 GIADMO c1coc(-c2nnc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCCC3)o2)c1 ZINC000064805711 823888527 /nfs/dbraw/zinc/88/85/27/823888527.db2.gz ZBBDYPCGITZNPM-UHFFFAOYSA-N 1 1 381.432 4.393 20 0 GIADMO O=C(C[N@@H+](C1CC1)C1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000064808522 823889398 /nfs/dbraw/zinc/88/93/98/823889398.db2.gz KKULDEFLRMKZGN-GOSISDBHSA-N 1 1 383.517 4.426 20 0 GIADMO CCCn1c2ccccc2nc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000575027031 823892223 /nfs/dbraw/zinc/89/22/23/823892223.db2.gz MMUKLQODVQOJEO-KCZVDYSFSA-N 1 1 375.516 4.451 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(F)cc1F ZINC000167784483 823895172 /nfs/dbraw/zinc/89/51/72/823895172.db2.gz NGORDSJHYOCOIT-ZIAGYGMSSA-N 1 1 378.438 4.477 20 0 GIADMO COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3ccc(C)c(F)c3)CC2)c1C ZINC000575034536 823895566 /nfs/dbraw/zinc/89/55/66/823895566.db2.gz PSQQGMTVRKCXOH-UHFFFAOYSA-N 1 1 385.527 4.251 20 0 GIADMO C[C@H](NC(C)(C)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1 ZINC000167859952 823897080 /nfs/dbraw/zinc/89/70/80/823897080.db2.gz GXLIYRIVFVECCL-ROUUACIJSA-N 1 1 381.520 4.423 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414060255 823898576 /nfs/dbraw/zinc/89/85/76/823898576.db2.gz JGRRKFFVDJQCLV-SFHVURJKSA-N 1 1 393.556 4.493 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000462251574 823898923 /nfs/dbraw/zinc/89/89/23/823898923.db2.gz BOJRVVSHHQCSIJ-CXAGYDPISA-N 1 1 393.409 4.069 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000168050194 823899735 /nfs/dbraw/zinc/89/97/35/823899735.db2.gz PFUCJIKGPAGFPP-CVEARBPZSA-N 1 1 380.414 4.412 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](c2ccccc2)N2CCC(C)CC2)s1 ZINC000414071512 823901426 /nfs/dbraw/zinc/90/14/26/823901426.db2.gz LYBZBNFVNHWWLN-SJLPKXTDSA-N 1 1 387.549 4.054 20 0 GIADMO COc1cc(F)c([C@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000168537755 823903508 /nfs/dbraw/zinc/90/35/08/823903508.db2.gz HOIVPYWACISJQX-HOTGVXAUSA-N 1 1 390.499 4.195 20 0 GIADMO COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000168538043 823903820 /nfs/dbraw/zinc/90/38/20/823903820.db2.gz HOIVPYWACISJQX-HZPDHXFCSA-N 1 1 390.499 4.195 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)s1 ZINC000414078345 823903813 /nfs/dbraw/zinc/90/38/13/823903813.db2.gz RWKFXCRHGHOBTR-HZPDHXFCSA-N 1 1 387.549 4.012 20 0 GIADMO Clc1cccc([C@@H]2CCC[C@@H]([NH2+]C3CCN(C[C@H]4CCOC4)CC3)C2)c1 ZINC000414079032 823903916 /nfs/dbraw/zinc/90/39/16/823903916.db2.gz BQTPIXSOWRAAPN-SFGWALBWSA-N 1 1 376.972 4.457 20 0 GIADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000168548848 823903973 /nfs/dbraw/zinc/90/39/73/823903973.db2.gz UMLQJHVROZPEBY-ZHRRBRCNSA-N 1 1 398.503 4.174 20 0 GIADMO Cc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000168604519 823904934 /nfs/dbraw/zinc/90/49/34/823904934.db2.gz FNHRQOOMKSSSIE-MRXNPFEDSA-N 1 1 378.463 4.388 20 0 GIADMO CC(C)OCc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000462264350 823905403 /nfs/dbraw/zinc/90/54/03/823905403.db2.gz XESVIVGIEOWIRE-AVRDEDQJSA-N 1 1 381.520 4.254 20 0 GIADMO COC(=O)c1cnc([C@H](C)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)s1 ZINC000414084564 823905638 /nfs/dbraw/zinc/90/56/38/823905638.db2.gz XWKHVHHODBEYCH-HOTGVXAUSA-N 1 1 387.549 4.155 20 0 GIADMO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1ccc(OC(F)F)c(F)c1 ZINC000168803276 823906133 /nfs/dbraw/zinc/90/61/33/823906133.db2.gz AUKNRUVHLDMVBS-UHFFFAOYSA-N 1 1 380.410 4.180 20 0 GIADMO CSCC[C@@H](C)[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000126591580 823906582 /nfs/dbraw/zinc/90/65/82/823906582.db2.gz CRMCJRPPAYCWLE-KUHUBIRLSA-N 1 1 380.554 4.166 20 0 GIADMO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000169127749 823908812 /nfs/dbraw/zinc/90/88/12/823908812.db2.gz PEJVFKZPZYSNIH-QGZVFWFLSA-N 1 1 399.560 4.036 20 0 GIADMO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2CN(C)Cc2ccco2)cn1 ZINC000414108298 823912038 /nfs/dbraw/zinc/91/20/38/823912038.db2.gz GFDAXRFAWKCVKG-GOSISDBHSA-N 1 1 379.504 4.036 20 0 GIADMO Brc1cccc([C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)c2ccccc2)c1 ZINC000414114249 823912658 /nfs/dbraw/zinc/91/26/58/823912658.db2.gz AIJPTEUHXFRNLK-YLJYHZDGSA-N 1 1 382.305 4.409 20 0 GIADMO C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130826 823916461 /nfs/dbraw/zinc/91/64/61/823916461.db2.gz WXWYYFMASBNFAO-URLQWDBASA-N 1 1 380.458 4.173 20 0 GIADMO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130826 823916470 /nfs/dbraw/zinc/91/64/70/823916470.db2.gz WXWYYFMASBNFAO-URLQWDBASA-N 1 1 380.458 4.173 20 0 GIADMO O=C(c1cnn(-c2cc[nH+]cc2)c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000575131319 823919714 /nfs/dbraw/zinc/91/97/14/823919714.db2.gz MMICRNJZLHWVKX-UHFFFAOYSA-N 1 1 378.451 4.034 20 0 GIADMO COCc1ccc([C@H]2CCC[N@H+]2CCCC(=O)Nc2ccccc2C(C)=O)o1 ZINC000575134146 823920149 /nfs/dbraw/zinc/92/01/49/823920149.db2.gz KMOGGUXWCWAQRP-HXUWFJFHSA-N 1 1 384.476 4.184 20 0 GIADMO C[C@H](c1ccc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)cc1)[NH+]1CCOCC1 ZINC000192259107 823920180 /nfs/dbraw/zinc/92/01/80/823920180.db2.gz XPQRNBZXLTWENR-OAHLLOKOSA-N 1 1 383.496 4.105 20 0 GIADMO CCCN1C(=O)c2ccc(Cl)cc2NC12CC[NH+](Cc1cccnc1)CC2 ZINC000414164572 823921214 /nfs/dbraw/zinc/92/12/14/823921214.db2.gz AWIRQUJBYLJIQA-UHFFFAOYSA-N 1 1 384.911 4.005 20 0 GIADMO CC(C)[N@@H+](CCC(=O)N1CCOCC1)Cc1ccc(-c2ccccc2F)s1 ZINC000064988418 823922026 /nfs/dbraw/zinc/92/20/26/823922026.db2.gz DNRCDCYHZSDRNG-UHFFFAOYSA-N 1 1 390.524 4.014 20 0 GIADMO C[N@H+]1CC[C@@]2(C[C@H]1c1ccccc1)Nc1ccccc1C(=O)N2Cc1cccnc1 ZINC000414173453 823922525 /nfs/dbraw/zinc/92/25/25/823922525.db2.gz GGXNCHNPSAEBBZ-UKILVPOCSA-N 1 1 398.510 4.313 20 0 GIADMO C[N@H+]1CC[C@@]2(C[C@@H]1c1ccccc1)Nc1ccccc1C(=O)N2Cc1cccnc1 ZINC000414173443 823922556 /nfs/dbraw/zinc/92/25/56/823922556.db2.gz GGXNCHNPSAEBBZ-ILBGXUMGSA-N 1 1 398.510 4.313 20 0 GIADMO CC(C)N1CC[C@H]([NH2+][C@H](Cc2ccccc2)c2nc3ccccc3s2)C1=O ZINC000414188969 823925071 /nfs/dbraw/zinc/92/50/71/823925071.db2.gz QUADPEFBVBRECS-RBUKOAKNSA-N 1 1 379.529 4.179 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000170647455 823925538 /nfs/dbraw/zinc/92/55/38/823925538.db2.gz YBMFPWQFOCPBCV-QGZVFWFLSA-N 1 1 387.549 4.081 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000170647455 823925544 /nfs/dbraw/zinc/92/55/44/823925544.db2.gz YBMFPWQFOCPBCV-QGZVFWFLSA-N 1 1 387.549 4.081 20 0 GIADMO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647560 823925632 /nfs/dbraw/zinc/92/56/32/823925632.db2.gz DGCSVOJRLJRPBL-UONOGXRCSA-N 1 1 394.466 4.339 20 0 GIADMO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647560 823925637 /nfs/dbraw/zinc/92/56/37/823925637.db2.gz DGCSVOJRLJRPBL-UONOGXRCSA-N 1 1 394.466 4.339 20 0 GIADMO C[C@H]([NH2+][C@H](Cc1ccccc1)c1nc2ccccc2s1)C(=O)NC(C)(C)C ZINC000414195563 823925774 /nfs/dbraw/zinc/92/57/74/823925774.db2.gz WUZSBLYJKCLRMJ-MAUKXSAKSA-N 1 1 381.545 4.473 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000170648136 823926244 /nfs/dbraw/zinc/92/62/44/823926244.db2.gz UGTSFHVJUHTAHH-ZDUSSCGKSA-N 1 1 379.551 4.218 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000170648136 823926248 /nfs/dbraw/zinc/92/62/48/823926248.db2.gz UGTSFHVJUHTAHH-ZDUSSCGKSA-N 1 1 379.551 4.218 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000170647790 823926665 /nfs/dbraw/zinc/92/66/65/823926665.db2.gz ULFCDPGZETYTLF-QGZVFWFLSA-N 1 1 397.519 4.015 20 0 GIADMO O=C1c2ccccc2NC2(CC[NH+](Cc3cccnc3)CC2)N1Cc1ccccc1 ZINC000414199707 823926952 /nfs/dbraw/zinc/92/69/52/823926952.db2.gz ZHWWAHWPIXKPGF-UHFFFAOYSA-N 1 1 398.510 4.142 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000126690371 823928406 /nfs/dbraw/zinc/92/84/06/823928406.db2.gz ZHRRGGQQTGOSEM-ICSRJNTNSA-N 1 1 394.563 4.326 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)c1 ZINC000414213109 823930186 /nfs/dbraw/zinc/93/01/86/823930186.db2.gz SKRZAJDGLRYWIO-AWEZNQCLSA-N 1 1 381.925 4.301 20 0 GIADMO CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC000065054440 823931633 /nfs/dbraw/zinc/93/16/33/823931633.db2.gz DFQACBFFZQDFMJ-JOCHJYFZSA-N 1 1 397.950 4.065 20 0 GIADMO COc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(Cl)c(OC)c1 ZINC000414223146 823932486 /nfs/dbraw/zinc/93/24/86/823932486.db2.gz PIZKYFUJAUWLQD-WMLDXEAASA-N 1 1 375.900 4.075 20 0 GIADMO CC(=O)c1cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000575193219 823934968 /nfs/dbraw/zinc/93/49/68/823934968.db2.gz AXTIJGYGWGYLMU-XLIONFOSSA-N 1 1 379.504 4.230 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000414235213 823935726 /nfs/dbraw/zinc/93/57/26/823935726.db2.gz GVTALJPQIYXPEK-QGZVFWFLSA-N 1 1 394.334 4.020 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](c3ccccc3)C(C)C)CC2)cs1 ZINC000170684945 823938538 /nfs/dbraw/zinc/93/85/38/823938538.db2.gz TXRMNEAZDFMYJQ-OAQYLSRUSA-N 1 1 385.577 4.220 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccccc1OC ZINC000126751381 823941906 /nfs/dbraw/zinc/94/19/06/823941906.db2.gz UVPDLYOIFLTSTP-DYESRHJHSA-N 1 1 385.527 4.388 20 0 GIADMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000575218606 823942560 /nfs/dbraw/zinc/94/25/60/823942560.db2.gz HDZWKERKRRKTNV-OAQYLSRUSA-N 1 1 384.495 4.285 20 0 GIADMO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC000126764037 823944963 /nfs/dbraw/zinc/94/49/63/823944963.db2.gz XOSSGAJMVZPNMK-ZWKOTPCHSA-N 1 1 385.527 4.388 20 0 GIADMO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126766137 823945684 /nfs/dbraw/zinc/94/56/84/823945684.db2.gz HGZCIXWJGSTWCP-SBUREZEXSA-N 1 1 377.532 4.136 20 0 GIADMO Cc1oc(-c2ccsc2)nc1CC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000170704755 823947682 /nfs/dbraw/zinc/94/76/82/823947682.db2.gz YDYNBBCYASXKEH-SFHVURJKSA-N 1 1 393.512 4.265 20 0 GIADMO Oc1cc(C[N@H+](CCc2ccccn2)Cc2ccncc2)cc(C(F)(F)F)c1 ZINC000575240257 823949763 /nfs/dbraw/zinc/94/97/63/823949763.db2.gz RFLZZAQXXFBJPR-UHFFFAOYSA-N 1 1 387.405 4.446 20 0 GIADMO Oc1cc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)cc(C(F)(F)F)c1 ZINC000575240257 823949767 /nfs/dbraw/zinc/94/97/67/823949767.db2.gz RFLZZAQXXFBJPR-UHFFFAOYSA-N 1 1 387.405 4.446 20 0 GIADMO CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nnc2n1CCCCC2 ZINC000575311332 823952447 /nfs/dbraw/zinc/95/24/47/823952447.db2.gz BFMXEUMIIYQNQR-RTWAWAEBSA-N 1 1 393.579 4.242 20 0 GIADMO Cc1ccc(CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)C)s1 ZINC000065162413 823955179 /nfs/dbraw/zinc/95/51/79/823955179.db2.gz NDAIKMMKXYARMS-UHFFFAOYSA-N 1 1 399.604 4.179 20 0 GIADMO COC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000575324981 823956023 /nfs/dbraw/zinc/95/60/23/823956023.db2.gz GDIWIRTWJYYVGN-GOSISDBHSA-N 1 1 390.321 4.496 20 0 GIADMO c1cc(-c2nc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cs2)cs1 ZINC000192355552 823957756 /nfs/dbraw/zinc/95/77/56/823957756.db2.gz WRLFODMXZGNELN-FQEVSTJZSA-N 1 1 399.585 4.252 20 0 GIADMO Fc1cccc(C[N@@H+](C[C@@H]2CCCO2)Cn2cnc3cc(F)c(F)cc32)c1 ZINC000065188320 823957944 /nfs/dbraw/zinc/95/79/44/823957944.db2.gz YLLJCGGUQKHYLT-INIZCTEOSA-N 1 1 375.394 4.092 20 0 GIADMO CS(=O)(=O)c1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000414362691 823965508 /nfs/dbraw/zinc/96/55/08/823965508.db2.gz FOPRWUGKKIBNFX-CYBMUJFWSA-N 1 1 381.416 4.074 20 0 GIADMO Cc1cc(C(=O)NC2CC[NH+](Cc3cc4ccccc4nc3Cl)CC2)c(C)o1 ZINC000170776599 823968807 /nfs/dbraw/zinc/96/88/07/823968807.db2.gz ANWGRTQJXOUKQI-UHFFFAOYSA-N 1 1 397.906 4.492 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)cc1 ZINC000575413585 823969040 /nfs/dbraw/zinc/96/90/40/823969040.db2.gz SPXQYFZXHTWZNQ-UHFFFAOYSA-N 1 1 391.515 4.331 20 0 GIADMO CC(C)c1cnc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000192393987 823969553 /nfs/dbraw/zinc/96/95/53/823969553.db2.gz BWFQFWGCUWDSOG-UHFFFAOYSA-N 1 1 394.491 4.331 20 0 GIADMO Cc1cccc2c(CC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c[nH]c21 ZINC000126872833 823971276 /nfs/dbraw/zinc/97/12/76/823971276.db2.gz QQERBIGIDMMZKE-FRIKZZABSA-N 1 1 387.527 4.331 20 0 GIADMO Brc1ccccc1N1CC[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126872821 823971452 /nfs/dbraw/zinc/97/14/52/823971452.db2.gz NXTGENQTBAPAHB-VQIMIIECSA-N 1 1 397.320 4.130 20 0 GIADMO O[C@@](C[NH2+]Cc1ccc(CSC(F)F)o1)(c1ccccc1)C(F)(F)F ZINC000170790812 823972414 /nfs/dbraw/zinc/97/24/14/823972414.db2.gz FWDZXMSAXJLUIL-HNNXBMFYSA-N 1 1 381.366 4.275 20 0 GIADMO CCC1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCC1 ZINC000126902762 823977197 /nfs/dbraw/zinc/97/71/97/823977197.db2.gz YVDPQTNPEVRGGM-UHFFFAOYSA-N 1 1 379.342 4.110 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000414416725 823977393 /nfs/dbraw/zinc/97/73/93/823977393.db2.gz WLNUCTNEZPUVFH-JWIGPWBQSA-N 1 1 385.508 4.250 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000414416725 823977396 /nfs/dbraw/zinc/97/73/96/823977396.db2.gz WLNUCTNEZPUVFH-JWIGPWBQSA-N 1 1 385.508 4.250 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2OCCC3)[C@H]1c1cccs1 ZINC000575636405 823981990 /nfs/dbraw/zinc/98/19/90/823981990.db2.gz NUQUAUANZPITTM-APWZRJJASA-N 1 1 385.533 4.278 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000192420222 823982303 /nfs/dbraw/zinc/98/23/03/823982303.db2.gz XDGHLPHIMDUCQF-INIZCTEOSA-N 1 1 392.425 4.086 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000192420583 823982842 /nfs/dbraw/zinc/98/28/42/823982842.db2.gz YBBDJCUIUJJWHJ-UHFFFAOYSA-N 1 1 379.302 4.125 20 0 GIADMO O=C(Nc1ccccc1NCc1ccc(Cl)cc1)[C@H]1CC[NH2+]CC1(F)F ZINC000575749934 823985984 /nfs/dbraw/zinc/98/59/84/823985984.db2.gz GNYDECSCKCZOQJ-OAHLLOKOSA-N 1 1 379.838 4.135 20 0 GIADMO C[C@@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000575758410 823987675 /nfs/dbraw/zinc/98/76/75/823987675.db2.gz BWNMLUBZQLMPBZ-DVECYGJZSA-N 1 1 385.511 4.448 20 0 GIADMO Cc1occc1C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000414450952 823987692 /nfs/dbraw/zinc/98/76/92/823987692.db2.gz ZEILAENSSDYTTG-AWEZNQCLSA-N 1 1 378.188 4.193 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000575769106 823989788 /nfs/dbraw/zinc/98/97/88/823989788.db2.gz BBUSIFJZCVKPGO-AAEUAGOBSA-N 1 1 385.468 4.155 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000575769106 823989791 /nfs/dbraw/zinc/98/97/91/823989791.db2.gz BBUSIFJZCVKPGO-AAEUAGOBSA-N 1 1 385.468 4.155 20 0 GIADMO CC(C)C[N@H+](CC(=O)Nc1nnc(C(C)C)s1)[C@H]1CCCc2cccnc21 ZINC000126976485 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OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CCO2 ZINC000575788396 823996674 /nfs/dbraw/zinc/99/66/74/823996674.db2.gz NIPYAXQZPKVRAQ-DETIRCLXSA-N 1 1 385.454 4.000 20 0 GIADMO COc1ccc(C[NH2+]Cc2cc(C)ccc2Br)c(OC)c1OC ZINC000414513276 823999190 /nfs/dbraw/zinc/99/91/90/823999190.db2.gz JXAKOPJAQDBKRF-UHFFFAOYSA-N 1 1 380.282 4.073 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@@H](O)C(C)C ZINC000414528000 824002584 /nfs/dbraw/zinc/00/25/84/824002584.db2.gz NSMFAQJINLSHLI-MOPGFXCFSA-N 1 1 375.538 4.021 20 0 GIADMO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170904434 824003660 /nfs/dbraw/zinc/00/36/60/824003660.db2.gz MNLRBRVNPOOCDF-CVDCTZTESA-N 1 1 394.559 4.057 20 0 GIADMO O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000192472696 824004423 /nfs/dbraw/zinc/00/44/23/824004423.db2.gz GLCFYLHFVYTIHF-UHFFFAOYSA-N 1 1 378.451 4.182 20 0 GIADMO CCCn1ncnc1C[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000575827251 824005144 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GIADMO CSc1cc(Br)ccc1C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414556334 824011490 /nfs/dbraw/zinc/01/14/90/824011490.db2.gz VMUPZIJXZOKJMD-MRXNPFEDSA-N 1 1 397.382 4.148 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000127078569 824012896 /nfs/dbraw/zinc/01/28/96/824012896.db2.gz XDPVDJKUEBSJLK-CRAIPNDOSA-N 1 1 390.449 4.158 20 0 GIADMO OC[C@@H]1C[N@@H+](Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)CC[C@H]1O ZINC000414560300 824012897 /nfs/dbraw/zinc/01/28/97/824012897.db2.gz QMOWHUUIESEJBF-SQJMNOBHSA-N 1 1 388.511 4.332 20 0 GIADMO Fc1ccc(N2CC[C@H]([NH2+]Cc3csc(COc4ccccc4)n3)C2)cc1 ZINC000414564048 824013618 /nfs/dbraw/zinc/01/36/18/824013618.db2.gz CDMSWXUSOOFFAD-KRWDZBQOSA-N 1 1 383.492 4.230 20 0 GIADMO CC(C)[N@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C[C@H]1CCC(=O)N1 ZINC000414566036 824014140 /nfs/dbraw/zinc/01/41/40/824014140.db2.gz ZZBDBDDRFWZQFQ-HXUWFJFHSA-N 1 1 399.922 4.081 20 0 GIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH+]1CCC(CO)CC1 ZINC000127085431 824014165 /nfs/dbraw/zinc/01/41/65/824014165.db2.gz GUQVPJUUOCMDDN-UHFFFAOYSA-N 1 1 387.833 4.057 20 0 GIADMO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000170954105 824016320 /nfs/dbraw/zinc/01/63/20/824016320.db2.gz KXOCGHHVCZBYPS-LBPRGKRZSA-N 1 1 397.263 4.229 20 0 GIADMO COCc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000192515425 824017230 /nfs/dbraw/zinc/01/72/30/824017230.db2.gz DTIMUCYKSGNHKT-UHFFFAOYSA-N 1 1 393.487 4.380 20 0 GIADMO COCc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000192515425 824017234 /nfs/dbraw/zinc/01/72/34/824017234.db2.gz DTIMUCYKSGNHKT-UHFFFAOYSA-N 1 1 393.487 4.380 20 0 GIADMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000414666170 824022219 /nfs/dbraw/zinc/02/22/19/824022219.db2.gz WIZHIBNJNRNTEP-INIZCTEOSA-N 1 1 380.275 4.180 20 0 GIADMO CC[N@H+]1CC[C@H](CNC(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000170969534 824022851 /nfs/dbraw/zinc/02/28/51/824022851.db2.gz WEHYOBUSTMSRCU-QGZVFWFLSA-N 1 1 381.545 4.137 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ncsc3C(C)C)C2)s1 ZINC000575928744 824031174 /nfs/dbraw/zinc/03/11/74/824031174.db2.gz ZDFTWDBWBGBNQC-HNNXBMFYSA-N 1 1 377.579 4.231 20 0 GIADMO COc1ccccc1[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1 ZINC000192559575 824031463 /nfs/dbraw/zinc/03/14/63/824031463.db2.gz REFFFTOPISVVND-QFIPXVFZSA-N 1 1 390.508 4.488 20 0 GIADMO CO[C@@H](C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000575931682 824031734 /nfs/dbraw/zinc/03/17/34/824031734.db2.gz VSTARVXWYJGFDI-UTKZUKDTSA-N 1 1 385.483 4.047 20 0 GIADMO CCCN(C(=O)NCc1nc(C)cs1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000171005899 824034654 /nfs/dbraw/zinc/03/46/54/824034654.db2.gz IOUSNPZYFSOGIX-IBGZPJMESA-N 1 1 386.565 4.038 20 0 GIADMO Cn1cncc1C[NH2+][C@H](Cc1ccccc1F)c1ccccc1Br ZINC000575958971 824037924 /nfs/dbraw/zinc/03/79/24/824037924.db2.gz DDZKRUZNRXGGMV-LJQANCHMSA-N 1 1 388.284 4.395 20 0 GIADMO Fc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000575962643 824039340 /nfs/dbraw/zinc/03/93/40/824039340.db2.gz OFOAKIGNGHVLMA-RBBKRZOGSA-N 1 1 390.506 4.170 20 0 GIADMO Fc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000575962643 824039344 /nfs/dbraw/zinc/03/93/44/824039344.db2.gz OFOAKIGNGHVLMA-RBBKRZOGSA-N 1 1 390.506 4.170 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000575962643 824039346 /nfs/dbraw/zinc/03/93/46/824039346.db2.gz OFOAKIGNGHVLMA-RBBKRZOGSA-N 1 1 390.506 4.170 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000575962643 824039349 /nfs/dbraw/zinc/03/93/49/824039349.db2.gz OFOAKIGNGHVLMA-RBBKRZOGSA-N 1 1 390.506 4.170 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCc2cccnc21 ZINC000192603041 824043493 /nfs/dbraw/zinc/04/34/93/824043493.db2.gz XMWTWLMTTAOSRU-QFIPXVFZSA-N 1 1 389.499 4.043 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCc2cccnc21 ZINC000192603041 824043498 /nfs/dbraw/zinc/04/34/98/824043498.db2.gz XMWTWLMTTAOSRU-QFIPXVFZSA-N 1 1 389.499 4.043 20 0 GIADMO Cc1ccc(-c2cnn(C[NH+]3CCC(NC(=O)Oc4ccccc4)CC3)c2)cc1 ZINC000171045651 824046532 /nfs/dbraw/zinc/04/65/32/824046532.db2.gz NCOAJJFLEWFCKK-UHFFFAOYSA-N 1 1 390.487 4.069 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCC[N@H+](Cc3cc(C(C)=O)no3)C2)n1 ZINC000575999317 824047072 /nfs/dbraw/zinc/04/70/72/824047072.db2.gz FWGHZROZVITHDM-HNNXBMFYSA-N 1 1 397.500 4.389 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](Cc3cc(C(C)=O)no3)C2)n1 ZINC000575999317 824047079 /nfs/dbraw/zinc/04/70/79/824047079.db2.gz FWGHZROZVITHDM-HNNXBMFYSA-N 1 1 397.500 4.389 20 0 GIADMO C[N@H+]1CCCC[C@H]1CN1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000192623475 824048314 /nfs/dbraw/zinc/04/83/14/824048314.db2.gz SOVNTFRXXHFMOC-KRWDZBQOSA-N 1 1 384.395 4.028 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000576019752 824050816 /nfs/dbraw/zinc/05/08/16/824050816.db2.gz MOPCLNGWKQRNSN-HNNXBMFYSA-N 1 1 381.480 4.132 20 0 GIADMO CC1CC[NH+]([C@@H](CNc2ccc(S(C)(=O)=O)cc2F)c2cccs2)CC1 ZINC000576019659 824050975 /nfs/dbraw/zinc/05/09/75/824050975.db2.gz FHVVRJMGHSSNTH-SFHVURJKSA-N 1 1 396.553 4.176 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2cscc2C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000576020565 824051413 /nfs/dbraw/zinc/05/14/13/824051413.db2.gz ARTTWIALHMTLHD-LRDDRELGSA-N 1 1 391.480 4.339 20 0 GIADMO CCC(CC)(CN[C@@H](c1nnc[nH]1)c1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000576023557 824051947 /nfs/dbraw/zinc/05/19/47/824051947.db2.gz VJWGQXDQFVYQOL-GHTZIAJQSA-N 1 1 377.536 4.393 20 0 GIADMO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000576031868 824053918 /nfs/dbraw/zinc/05/39/18/824053918.db2.gz SKPJULVAWSKFOH-HNNXBMFYSA-N 1 1 381.451 4.482 20 0 GIADMO c1csc(-c2nc3ccccc3c(N3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000014305772 209173535 /nfs/dbraw/zinc/17/35/35/209173535.db2.gz ZUEWDJMTEGEPKB-UHFFFAOYSA-N 1 1 387.512 4.076 20 0 GIADMO CC(=O)c1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000071982732 211067292 /nfs/dbraw/zinc/06/72/92/211067292.db2.gz 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O=C1c2ccccc2[C@@H]2CN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)C[C@@H]12 ZINC001164401309 718846582 /nfs/dbraw/zinc/84/65/82/718846582.db2.gz AQAZADSMNLTYEB-XZOQPEGZSA-N 1 1 395.506 4.056 20 0 GIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3[C@H](CC3(F)F)C2)n1 ZINC001164407796 718870884 /nfs/dbraw/zinc/87/08/84/718870884.db2.gz KCWDBFZZIHGLJZ-KGLIPLIRSA-N 1 1 380.508 4.241 20 0 GIADMO Clc1ccc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164620498 719064329 /nfs/dbraw/zinc/06/43/29/719064329.db2.gz FNMYZPCGEFPAII-UWJYYQICSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1cccc2c1ncnc2N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629775 719064926 /nfs/dbraw/zinc/06/49/26/719064926.db2.gz YYYQOWDOQMXAGO-XLIONFOSSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1ncnc2scc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c21 ZINC001164626523 719072100 /nfs/dbraw/zinc/07/21/00/719072100.db2.gz OFAMUSDOILYRPV-HOTGVXAUSA-N 1 1 384.936 4.446 20 0 GIADMO Clc1cnc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc2c1 ZINC001164620409 719074807 /nfs/dbraw/zinc/07/48/07/719074807.db2.gz DTSRKVOFHKLQIT-AZUAARDMSA-N 1 1 378.907 4.384 20 0 GIADMO Cc1nc2c(nc(Cl)nc2N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001164622803 719081952 /nfs/dbraw/zinc/08/19/52/719081952.db2.gz IUWJXSDGZHTWMW-HZPDHXFCSA-N 1 1 399.951 4.149 20 0 GIADMO Fc1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1-c1ccsc1 ZINC001164622761 719111223 /nfs/dbraw/zinc/11/12/23/719111223.db2.gz CKZZHRLEVIKZHR-FXAWDEMLSA-N 1 1 394.519 4.445 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164633936 719250091 /nfs/dbraw/zinc/25/00/91/719250091.db2.gz LQWVPDVKSXPGDL-ZIAGYGMSSA-N 1 1 381.854 4.356 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)Oc1ccccc1-c1cccc(Cl)n1 ZINC001164633936 719250095 /nfs/dbraw/zinc/25/00/95/719250095.db2.gz LQWVPDVKSXPGDL-ZIAGYGMSSA-N 1 1 381.854 4.356 20 0 GIADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@@H](C)[N@@H+](C)C[C@H]3C)c(Cl)nn2)cc1 ZINC001164635883 719257703 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Clc1cc(Cl)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164697078 719886557 /nfs/dbraw/zinc/88/65/57/719886557.db2.gz BOJIZNBCKOJEGO-UHFFFAOYSA-N 1 1 398.359 4.321 20 0 GIADMO Clc1ccc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694747 719890339 /nfs/dbraw/zinc/89/03/39/719890339.db2.gz DWZUVBCPHHXLOV-UHFFFAOYSA-N 1 1 398.359 4.321 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3c(Cl)cccc3n1)C2 ZINC001164814942 720110899 /nfs/dbraw/zinc/11/08/99/720110899.db2.gz UPOTUNLZANESNJ-JTSKRJEESA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3ccc(C)cc31)C2 ZINC001164814385 720144213 /nfs/dbraw/zinc/14/42/13/720144213.db2.gz SDLUXIDKCOFLJA-XXBNENTESA-N 1 1 399.966 4.381 20 0 GIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721425 720340507 /nfs/dbraw/zinc/34/05/07/720340507.db2.gz BZTZHEVVAKRRFP-HOTGVXAUSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cnc(Cl)cc1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721425 720340513 /nfs/dbraw/zinc/34/05/13/720340513.db2.gz BZTZHEVVAKRRFP-HOTGVXAUSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164725389 720382327 /nfs/dbraw/zinc/38/23/27/720382327.db2.gz NDTBHCBHDBKHKR-LSDHHAIUSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccc(Cl)c(Cl)n1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725389 720382332 /nfs/dbraw/zinc/38/23/32/720382332.db2.gz NDTBHCBHDBKHKR-LSDHHAIUSA-N 1 1 399.272 4.182 20 0 GIADMO Cc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc2cc(Cl)ccc12 ZINC001164728929 720406657 /nfs/dbraw/zinc/40/66/57/720406657.db2.gz UIMNXLYIFLXLLQ-LEWJYISDSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1ccc(C)c(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)c1 ZINC001164729349 720450471 /nfs/dbraw/zinc/45/04/71/720450471.db2.gz HDJQKCHRYOJEAU-PKTZIBPZSA-N 1 1 385.515 4.009 20 0 GIADMO Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724450 720475428 /nfs/dbraw/zinc/47/54/28/720475428.db2.gz GHFBZQGHIKIJNK-WOJBJXKFSA-N 1 1 397.954 4.426 20 0 GIADMO Cc1cc2ccccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1 ZINC001164838603 720572117 /nfs/dbraw/zinc/57/21/17/720572117.db2.gz OSAYRQLUZPEILX-QZNHQXDQSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1nc(C(C)C)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840489 720663597 /nfs/dbraw/zinc/66/35/97/720663597.db2.gz MUIKRFARLZWNEQ-OAQYLSRUSA-N 1 1 394.563 4.168 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccoc31)CC2 ZINC001164842548 720668990 /nfs/dbraw/zinc/66/89/90/720668990.db2.gz RXPJLEZTEDQDOS-HXUWFJFHSA-N 1 1 377.488 4.088 20 0 GIADMO Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1Cl ZINC001164840987 720683520 /nfs/dbraw/zinc/68/35/20/720683520.db2.gz GTUYLMUUTZXPAR-LJQANCHMSA-N 1 1 385.939 4.303 20 0 GIADMO Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc2[nH]ccc21 ZINC001164842706 720700686 /nfs/dbraw/zinc/70/06/86/720700686.db2.gz MUVUSSYMDFKADC-FQEVSTJZSA-N 1 1 390.531 4.131 20 0 GIADMO CSc1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839619 720713042 /nfs/dbraw/zinc/71/30/42/720713042.db2.gz MEQZSGPGFZGPLE-LJQANCHMSA-N 1 1 383.561 4.063 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(CCC(=O)N3)[C@@H]2CC)nc1 ZINC001164849007 720757920 /nfs/dbraw/zinc/75/79/20/720757920.db2.gz RUKIRKLQLRMPBZ-ZRCGQRJVSA-N 1 1 384.568 4.046 20 0 GIADMO COc1ccc2nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c(C)cc2c1 ZINC001164855075 720919244 /nfs/dbraw/zinc/91/92/44/720919244.db2.gz HOHGKFAUHXGNOT-KRWDZBQOSA-N 1 1 393.535 4.170 20 0 GIADMO Fc1ccc(-c2nc3ccccc3c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)n2)cc1 ZINC001164768848 721298001 /nfs/dbraw/zinc/29/80/01/721298001.db2.gz IDNGMODLUSEHBB-UHFFFAOYSA-N 1 1 388.490 4.358 20 0 GIADMO Cc1c(Cl)ccc2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164780597 721421909 /nfs/dbraw/zinc/42/19/09/721421909.db2.gz BMZQGMFRATWWCM-HZPDHXFCSA-N 1 1 384.936 4.221 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3ccc(F)cc31)CC2 ZINC001164793219 721490978 /nfs/dbraw/zinc/49/09/78/721490978.db2.gz PZGATNBRCWSWCP-UHFFFAOYSA-N 1 1 391.494 4.045 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(-c3ccco3)cn1)CC2 ZINC001164792985 721493762 /nfs/dbraw/zinc/49/37/62/721493762.db2.gz XHCXBBKVCKVGSW-UHFFFAOYSA-N 1 1 389.503 4.013 20 0 GIADMO Cc1nc(C)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(Cl)n1 ZINC001164792531 721493778 /nfs/dbraw/zinc/49/37/78/721493778.db2.gz QGCAGGKEDCBUBN-UHFFFAOYSA-N 1 1 385.943 4.023 20 0 GIADMO Cc1nc(C(C)C)cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908435 721746101 /nfs/dbraw/zinc/74/61/01/721746101.db2.gz JCJMXURNGHKEDP-UHFFFAOYSA-N 1 1 391.519 4.091 20 0 GIADMO Cc1nc(C(C)C)cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908435 721746106 /nfs/dbraw/zinc/74/61/06/721746106.db2.gz JCJMXURNGHKEDP-UHFFFAOYSA-N 1 1 391.519 4.091 20 0 GIADMO CC(C)Oc1cccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910074 721756116 /nfs/dbraw/zinc/75/61/16/721756116.db2.gz KWTINKWIQHXCBQ-UHFFFAOYSA-N 1 1 392.503 4.052 20 0 GIADMO CC(C)Oc1cccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164910074 721756122 /nfs/dbraw/zinc/75/61/22/721756122.db2.gz KWTINKWIQHXCBQ-UHFFFAOYSA-N 1 1 392.503 4.052 20 0 GIADMO CSc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c1 ZINC001165028980 721821491 /nfs/dbraw/zinc/82/14/91/721821491.db2.gz WCCVDYVWUSASRT-YYWHXJBOSA-N 1 1 382.577 4.244 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccncc4)cn3)C[C@H]21 ZINC001165023169 721822722 /nfs/dbraw/zinc/82/27/22/721822722.db2.gz HXULKUQBXKLULK-GMKZXUHWSA-N 1 1 399.542 4.276 20 0 GIADMO CC(C)Sc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165026203 721827094 /nfs/dbraw/zinc/82/70/94/721827094.db2.gz OHLIEEBYVZPPBD-IHPCNDPISA-N 1 1 397.592 4.109 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(Cl)cc(C)n4)CC3)C2)cc1 ZINC001164938314 721921154 /nfs/dbraw/zinc/92/11/54/721921154.db2.gz LILZQQUOLKHUNI-UHFFFAOYSA-N 1 1 385.939 4.223 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(CCC(=O)OC)Cc2ccco2)nc1 ZINC001165047215 721982995 /nfs/dbraw/zinc/98/29/95/721982995.db2.gz JEXLAECNLGDDPH-HXUWFJFHSA-N 1 1 385.508 4.181 20 0 GIADMO Clc1ccnc2cnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cc12 ZINC001164955300 722019229 /nfs/dbraw/zinc/01/92/29/722019229.db2.gz DYZPUURMTHPWQG-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO CCc1nc2sccc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164959088 722023541 /nfs/dbraw/zinc/02/35/41/722023541.db2.gz HXQDFFAJZQHXKS-UHFFFAOYSA-N 1 1 393.560 4.141 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nnc(Cl)cc2Cl)C3)c1 ZINC001164993955 722193311 /nfs/dbraw/zinc/19/33/11/722193311.db2.gz JUIWFPKSTWXTGD-SFHVURJKSA-N 1 1 381.282 4.167 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nnc(Cl)cc2Cl)C3)c1 ZINC001164993955 722193313 /nfs/dbraw/zinc/19/33/13/722193313.db2.gz JUIWFPKSTWXTGD-SFHVURJKSA-N 1 1 381.282 4.167 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4cccnc42)C3)c1 ZINC001164992828 722195867 /nfs/dbraw/zinc/19/58/67/722195867.db2.gz BCACTZYHXRULAG-OAQYLSRUSA-N 1 1 397.885 4.062 20 0 GIADMO Cn1ccc2c1nc(Cl)nc2N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993199 722197048 /nfs/dbraw/zinc/19/70/48/722197048.db2.gz CJYJJHPNIJJNJH-NRFANRHFSA-N 1 1 399.901 4.006 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2nccnc2Cl)C3)c1 ZINC001164995571 722206806 /nfs/dbraw/zinc/20/68/06/722206806.db2.gz OEKDBXIOAHMUFA-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2nccnc2Cl)C3)c1 ZINC001164995571 722206807 /nfs/dbraw/zinc/20/68/07/722206807.db2.gz OEKDBXIOAHMUFA-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO c1ccc(CC(Cc2ccccc2)C[N@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000570490853 823045580 /nfs/dbraw/zinc/04/55/80/823045580.db2.gz INHIRAYBNIRGIC-UHFFFAOYSA-N 1 1 386.543 4.090 20 0 GIADMO C[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)s1 ZINC000175811341 823045697 /nfs/dbraw/zinc/04/56/97/823045697.db2.gz SXKJHPLZTVIMTP-CABCVRRESA-N 1 1 392.952 4.042 20 0 GIADMO C[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)s1 ZINC000175811341 823045699 /nfs/dbraw/zinc/04/56/99/823045699.db2.gz SXKJHPLZTVIMTP-CABCVRRESA-N 1 1 392.952 4.042 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1cccc2c1N=S=N2 ZINC000175814493 823046497 /nfs/dbraw/zinc/04/64/97/823046497.db2.gz ODEVWCHEIWKTKJ-DOMZBBRYSA-N 1 1 388.518 4.001 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1cccc2c1N=S=N2 ZINC000175814493 823046502 /nfs/dbraw/zinc/04/65/02/823046502.db2.gz ODEVWCHEIWKTKJ-DOMZBBRYSA-N 1 1 388.518 4.001 20 0 GIADMO CN1C(=O)CCc2cc(C[NH2+][C@H](c3cccc(F)c3)c3ccccn3)ccc21 ZINC000187347781 823047196 /nfs/dbraw/zinc/04/71/96/823047196.db2.gz GLUJKVGHAYSVQT-HSZRJFAPSA-N 1 1 375.447 4.009 20 0 GIADMO Cc1[nH]c(=O)c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1-c1ccccc1 ZINC000570501744 823047219 /nfs/dbraw/zinc/04/72/19/823047219.db2.gz CCCFAZMVVISFLY-INIZCTEOSA-N 1 1 381.520 4.003 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175818639 823047398 /nfs/dbraw/zinc/04/73/98/823047398.db2.gz NQGSAPMQBLPCHK-YOEHRIQHSA-N 1 1 378.925 4.237 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175818639 823047403 /nfs/dbraw/zinc/04/74/03/823047403.db2.gz NQGSAPMQBLPCHK-YOEHRIQHSA-N 1 1 378.925 4.237 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCCCC2(F)F)cc1 ZINC000458497261 823047569 /nfs/dbraw/zinc/04/75/69/823047569.db2.gz BJCSWUFTUAIBHP-YOEHRIQHSA-N 1 1 376.451 4.366 20 0 GIADMO CCn1nccc1C1CC[NH+]([C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000570507293 823048045 /nfs/dbraw/zinc/04/80/45/823048045.db2.gz PQQGYHGPUWNAQO-ZDUSSCGKSA-N 1 1 384.553 4.047 20 0 GIADMO OC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514909 823048588 /nfs/dbraw/zinc/04/85/88/823048588.db2.gz XTWWEIIPHVXUKF-PXNSSMCTSA-N 1 1 388.914 4.299 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC(C(F)F)CC1 ZINC000458509485 823048919 /nfs/dbraw/zinc/04/89/19/823048919.db2.gz PLYNOJMJZDSJBJ-RXQRSOPUSA-N 1 1 379.495 4.020 20 0 GIADMO Cc1cc(Cl)ccc1C[NH+]1CCN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC1 ZINC000570519852 823049204 /nfs/dbraw/zinc/04/92/04/823049204.db2.gz NBHTVLFVERGKFM-UHFFFAOYSA-N 1 1 395.890 4.217 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](Sc3ccc(F)cc3)c3ccccc3)C2)C1 ZINC000570522301 823049456 /nfs/dbraw/zinc/04/94/56/823049456.db2.gz ZHEPKRWGKQZDGJ-UNMCSNQZSA-N 1 1 384.520 4.213 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2cccn2C)cc1 ZINC000175836201 823051372 /nfs/dbraw/zinc/05/13/72/823051372.db2.gz IAKBNGSMBFKNCI-IERDGZPVSA-N 1 1 377.492 4.127 20 0 GIADMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1nc(C(C)C)ncc1Cl ZINC000120723864 823052753 /nfs/dbraw/zinc/05/27/53/823052753.db2.gz IYFJMNPXOUSBCQ-QAPCUYQASA-N 1 1 384.911 4.010 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175844066 823053359 /nfs/dbraw/zinc/05/33/59/823053359.db2.gz HTHFTKLTOCDYBD-WBVHZDCISA-N 1 1 378.925 4.237 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175844066 823053363 /nfs/dbraw/zinc/05/33/63/823053363.db2.gz HTHFTKLTOCDYBD-WBVHZDCISA-N 1 1 378.925 4.237 20 0 GIADMO Cc1ccc(Cl)c(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000120760242 823058611 /nfs/dbraw/zinc/05/86/11/823058611.db2.gz ZBDKIBZIDFORSA-IYBDPMFKSA-N 1 1 379.932 4.002 20 0 GIADMO Cc1cccc(-c2noc(CNc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2)c1 ZINC000055869803 823057253 /nfs/dbraw/zinc/05/72/53/823057253.db2.gz GJPCEJURXZXCPI-HDICACEKSA-N 1 1 392.503 4.266 20 0 GIADMO Cc1cccc(-c2noc(CNc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2)c1 ZINC000055869803 823057261 /nfs/dbraw/zinc/05/72/61/823057261.db2.gz GJPCEJURXZXCPI-HDICACEKSA-N 1 1 392.503 4.266 20 0 GIADMO Cc1coc(-c2ccc(C)c(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)c2)n1 ZINC000120766113 823059959 /nfs/dbraw/zinc/05/99/59/823059959.db2.gz DFTDZJGHPLCZLB-QGZVFWFLSA-N 1 1 375.472 4.344 20 0 GIADMO Cc1coc(-c2ccc(C)c(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)c2)n1 ZINC000120766113 823059964 /nfs/dbraw/zinc/05/99/64/823059964.db2.gz DFTDZJGHPLCZLB-QGZVFWFLSA-N 1 1 375.472 4.344 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2scnc2c1 ZINC000175871740 823060406 /nfs/dbraw/zinc/06/04/06/823060406.db2.gz CNNHRIBZDWZGDA-KRWDZBQOSA-N 1 1 380.517 4.282 20 0 GIADMO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000175872177 823060591 /nfs/dbraw/zinc/06/05/91/823060591.db2.gz PKALGKJJQNVZNE-UHFFFAOYSA-N 1 1 379.932 4.347 20 0 GIADMO CC(C)[C@H](c1noc(CCCC[NH+]2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000570604906 823060865 /nfs/dbraw/zinc/06/08/65/823060865.db2.gz STZBDUPPLSYMEK-IBGZPJMESA-N 1 1 377.916 4.166 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000458593608 823061123 /nfs/dbraw/zinc/06/11/23/823061123.db2.gz QKFJDUKDHHWELG-GJZGRUSLSA-N 1 1 389.849 4.069 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000458593608 823061129 /nfs/dbraw/zinc/06/11/29/823061129.db2.gz QKFJDUKDHHWELG-GJZGRUSLSA-N 1 1 389.849 4.069 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)[C@H](C)C1 ZINC000120781622 823062947 /nfs/dbraw/zinc/06/29/47/823062947.db2.gz CLDVTBINEAIUPN-VQIMIIECSA-N 1 1 388.556 4.174 20 0 GIADMO Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1Br ZINC000120792310 823065162 /nfs/dbraw/zinc/06/51/62/823065162.db2.gz CRIWAXZOLVGTKD-PBHICJAKSA-N 1 1 392.341 4.238 20 0 GIADMO O=C(Nc1ccccc1)c1cccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000570638988 823065500 /nfs/dbraw/zinc/06/55/00/823065500.db2.gz OJGGGBNHTQTGHJ-UHFFFAOYSA-N 1 1 391.515 4.029 20 0 GIADMO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000120795618 823065759 /nfs/dbraw/zinc/06/57/59/823065759.db2.gz QKZOGXJBLKYVNS-GCJKJVERSA-N 1 1 379.504 4.131 20 0 GIADMO CN(C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC(C)(C)C1 ZINC000458627285 823066095 /nfs/dbraw/zinc/06/60/95/823066095.db2.gz VKYBSLWGMUEEAN-KBXCAEBGSA-N 1 1 381.923 4.302 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)cc1 ZINC000570661042 823068129 /nfs/dbraw/zinc/06/81/29/823068129.db2.gz UORNSSLHVGUBQT-PDIWNELESA-N 1 1 378.516 4.187 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000570660409 823068423 /nfs/dbraw/zinc/06/84/23/823068423.db2.gz QOGIWMICOQFPDL-UHFFFAOYSA-N 1 1 396.564 4.433 20 0 GIADMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCCc2c(O)cccc21 ZINC000570669074 823069395 /nfs/dbraw/zinc/06/93/95/823069395.db2.gz FOOMLPLSTNSNMH-NHCUHLMSSA-N 1 1 390.483 4.052 20 0 GIADMO COc1ccc2nc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)sc2c1 ZINC000187469945 823069496 /nfs/dbraw/zinc/06/94/96/823069496.db2.gz DEEJIASRDJPDPX-GFCCVEGCSA-N 1 1 396.438 4.357 20 0 GIADMO COc1ccc2nc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)sc2c1 ZINC000187469945 823069502 /nfs/dbraw/zinc/06/95/02/823069502.db2.gz DEEJIASRDJPDPX-GFCCVEGCSA-N 1 1 396.438 4.357 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458661350 823071047 /nfs/dbraw/zinc/07/10/47/823071047.db2.gz DYAMASVTOYCKRD-VIZSFHNOSA-N 1 1 394.563 4.003 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)cs1 ZINC000120830098 823073043 /nfs/dbraw/zinc/07/30/43/823073043.db2.gz YYGANWVZWMCQLK-IRLDBZIGSA-N 1 1 397.588 4.191 20 0 GIADMO C[N@@H+](CCCCNC(=O)NCc1nc(-c2cc3ccccc3o2)cs1)C1CC1 ZINC000458686218 823074063 /nfs/dbraw/zinc/07/40/63/823074063.db2.gz XHHNNQOHLXGAQG-UHFFFAOYSA-N 1 1 398.532 4.230 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175932519 823076168 /nfs/dbraw/zinc/07/61/68/823076168.db2.gz IFFICSYFPNMQMR-QFIPXVFZSA-N 1 1 381.495 4.337 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000175932519 823076171 /nfs/dbraw/zinc/07/61/71/823076171.db2.gz IFFICSYFPNMQMR-QFIPXVFZSA-N 1 1 381.495 4.337 20 0 GIADMO CC[C@H](C(=O)N1CCCn2c(cc3ccccc32)C1)[N@@H+](C)Cc1ccccc1 ZINC000570735768 823078496 /nfs/dbraw/zinc/07/84/96/823078496.db2.gz DBPONFPDCHZKSJ-JOCHJYFZSA-N 1 1 375.516 4.284 20 0 GIADMO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120862176 823078904 /nfs/dbraw/zinc/07/89/04/823078904.db2.gz BKZROWSTFGMXNM-ZFWWWQNUSA-N 1 1 399.470 4.497 20 0 GIADMO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000120862176 823078910 /nfs/dbraw/zinc/07/89/10/823078910.db2.gz BKZROWSTFGMXNM-ZFWWWQNUSA-N 1 1 399.470 4.497 20 0 GIADMO CCC[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000570758376 823081924 /nfs/dbraw/zinc/08/19/24/823081924.db2.gz REUCUACCOJOCEE-HSZRJFAPSA-N 1 1 382.504 4.210 20 0 GIADMO CCCOc1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC ZINC000187520313 823080320 /nfs/dbraw/zinc/08/03/20/823080320.db2.gz HTYNVRQHNISNNR-JOCHJYFZSA-N 1 1 383.467 4.236 20 0 GIADMO CCC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000570758376 823081930 /nfs/dbraw/zinc/08/19/30/823081930.db2.gz REUCUACCOJOCEE-HSZRJFAPSA-N 1 1 382.504 4.210 20 0 GIADMO CCC1(NC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000458748744 823081113 /nfs/dbraw/zinc/08/11/13/823081113.db2.gz CHTDWKRZPMXQLW-ZCTYVAAUSA-N 1 1 375.944 4.496 20 0 GIADMO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000187533478 823083516 /nfs/dbraw/zinc/08/35/16/823083516.db2.gz NANDCYHCCCLRFK-QFYYESIMSA-N 1 1 379.794 4.052 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1C ZINC000570773857 823085368 /nfs/dbraw/zinc/08/53/68/823085368.db2.gz WGZCJSOPOFSQFR-DENIHFKCSA-N 1 1 379.548 4.021 20 0 GIADMO FC(F)Oc1cccc(Cl)c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120908676 823085438 /nfs/dbraw/zinc/08/54/38/823085438.db2.gz QSJJBYBZHIJTSR-UHFFFAOYSA-N 1 1 392.837 4.364 20 0 GIADMO Cc1ncc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cc2)o1 ZINC000175974791 823086445 /nfs/dbraw/zinc/08/64/45/823086445.db2.gz AJWHUUQRJRMJCF-FQEVSTJZSA-N 1 1 379.435 4.392 20 0 GIADMO Cc1ncc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)cc2)o1 ZINC000175974791 823086451 /nfs/dbraw/zinc/08/64/51/823086451.db2.gz 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C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1)CN1CCN(C)CC1 ZINC000120946162 823091100 /nfs/dbraw/zinc/09/11/00/823091100.db2.gz XPTGKAIDQYJYRJ-SJORKVTESA-N 1 1 375.557 4.088 20 0 GIADMO C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1)CN1CCN(C)CC1 ZINC000120946024 823091136 /nfs/dbraw/zinc/09/11/36/823091136.db2.gz XPTGKAIDQYJYRJ-IRXDYDNUSA-N 1 1 375.557 4.088 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(Br)c2)[C@H](C)C1 ZINC000120949216 823091492 /nfs/dbraw/zinc/09/14/92/823091492.db2.gz PAOXVVHUIUJKAZ-IAQYHMDHSA-N 1 1 388.737 4.297 20 0 GIADMO C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCC(F)(F)CC1 ZINC000570821312 823091597 /nfs/dbraw/zinc/09/15/97/823091597.db2.gz ZJBBSKDIVSNGSF-IBGZPJMESA-N 1 1 378.488 4.463 20 0 GIADMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c(C)n1CC(F)(F)F ZINC000056168477 823094733 /nfs/dbraw/zinc/09/47/33/823094733.db2.gz SAUXQEQULMEELY-MAUKXSAKSA-N 1 1 393.453 4.233 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000458835134 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COc1cc(OC)cc([C@@H]([NH2+]CCc2cccc(Cl)c2)c2nccn2C)c1 ZINC000459456877 823195793 /nfs/dbraw/zinc/19/57/93/823195793.db2.gz CNFSKFCRRALZGZ-HXUWFJFHSA-N 1 1 385.895 4.012 20 0 GIADMO CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571504802 823193693 /nfs/dbraw/zinc/19/36/93/823193693.db2.gz VMNCYOODMIRYDF-WMZHIEFXSA-N 1 1 392.543 4.410 20 0 GIADMO CC(=O)Nc1c(C)ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1C ZINC000056691189 823193828 /nfs/dbraw/zinc/19/38/28/823193828.db2.gz GGVUXLWUCVJGDL-UHFFFAOYSA-N 1 1 394.519 4.002 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000188171170 823197452 /nfs/dbraw/zinc/19/74/52/823197452.db2.gz REIJRODXVVKIAN-MDKPJZGXSA-N 1 1 397.494 4.002 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cccc(O)c1Br ZINC000459463349 823197621 /nfs/dbraw/zinc/19/76/21/823197621.db2.gz LDFAZDNLUGKGDX-UHFFFAOYSA-N 1 1 377.326 4.285 20 0 GIADMO C[C@@H]1[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CCC12CCOCC2 ZINC000459479596 823201197 /nfs/dbraw/zinc/20/11/97/823201197.db2.gz IRYAHAVYJSAHBD-SFHVURJKSA-N 1 1 380.536 4.451 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1)CC(F)(F)F ZINC000176398391 823199362 /nfs/dbraw/zinc/19/93/62/823199362.db2.gz KGYOIXNOQURVNX-HNNXBMFYSA-N 1 1 398.391 4.334 20 0 GIADMO Cc1nc2ccc(NC(=O)N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2o1 ZINC000571549299 823199406 /nfs/dbraw/zinc/19/94/06/823199406.db2.gz JMVFNCQKXKLIQY-QHCPKHFHSA-N 1 1 390.487 4.266 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1)CC(F)(F)F ZINC000176398177 823199449 /nfs/dbraw/zinc/19/94/49/823199449.db2.gz RTCLPDIEZALYOI-MRXNPFEDSA-N 1 1 396.453 4.116 20 0 GIADMO CCc1ccc(-c2noc(C[N@@H+]3CC[C@H](CN(CC)CC(F)(F)F)C3)n2)cc1 ZINC000176401175 823200299 /nfs/dbraw/zinc/20/02/99/823200299.db2.gz DPUGFFWVGDTTLU-MRXNPFEDSA-N 1 1 396.457 4.005 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(F)cc3Cl)c2)C[C@H](C)O1 ZINC000121539460 823202062 /nfs/dbraw/zinc/20/20/62/823202062.db2.gz AUPLYFVNAGHIIA-KBPBESRZSA-N 1 1 376.859 4.341 20 0 GIADMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC=C(c3ccccc3C(F)(F)F)CC1)C2 ZINC000571576105 823203031 /nfs/dbraw/zinc/20/30/31/823203031.db2.gz NPGBOIFVBZYQNR-MRXNPFEDSA-N 1 1 389.421 4.089 20 0 GIADMO Cc1cc(F)c(CN(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c(Cl)c1 ZINC000459491166 823203312 /nfs/dbraw/zinc/20/33/12/823203312.db2.gz UHFMTKUMJSPHIF-MGPUTAFESA-N 1 1 378.923 4.036 20 0 GIADMO COc1ccccc1[C@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000121564229 823206737 /nfs/dbraw/zinc/20/67/37/823206737.db2.gz HIKIMIUGVGRKHQ-OWHZGTRUSA-N 1 1 387.527 4.432 20 0 GIADMO O=C(Nc1cccc(N2CCCCC2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000056741266 823204699 /nfs/dbraw/zinc/20/46/99/823204699.db2.gz HXYSRVQRRGCJJN-UHFFFAOYSA-N 1 1 378.520 4.027 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1scnc1C(C)(C)C)[NH+]1CCCC1 ZINC000176426585 823205707 /nfs/dbraw/zinc/20/57/07/823205707.db2.gz QJWZYOPVYIQJLE-INIZCTEOSA-N 1 1 387.549 4.016 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccc(NCCCCCOc3ccccc3)cc2)CC1 ZINC000188228081 823206870 /nfs/dbraw/zinc/20/68/70/823206870.db2.gz OORMFMHVTYYYFN-UHFFFAOYSA-N 1 1 395.547 4.012 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2Br)OCCO3)cc1F ZINC000121567006 823207366 /nfs/dbraw/zinc/20/73/66/823207366.db2.gz RRTLWLNGWNJRKW-NSHDSACASA-N 1 1 396.256 4.219 20 0 GIADMO CCC1(CC)CN(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571615491 823209482 /nfs/dbraw/zinc/20/94/82/823209482.db2.gz VSEGZVYUVRWKQP-HXUWFJFHSA-N 1 1 395.551 4.292 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 ZINC000060575912 823543934 /nfs/dbraw/zinc/54/39/34/823543934.db2.gz OECNEZQTUYKFGN-UHFFFAOYSA-N 1 1 379.976 4.379 20 0 GIADMO CCOc1cc(C[NH2+]Cc2nc(COC)sc2-c2ccccc2)ccc1O ZINC000459525321 823211377 /nfs/dbraw/zinc/21/13/77/823211377.db2.gz IIUJAICBXBNRJW-UHFFFAOYSA-N 1 1 384.501 4.351 20 0 GIADMO CCOc1cc(CNc2ccc(C)c[nH+]2)ccc1OCC(=O)Nc1ccccc1 ZINC000121604325 823214565 /nfs/dbraw/zinc/21/45/65/823214565.db2.gz XEPFOSANMUDHJV-UHFFFAOYSA-N 1 1 391.471 4.418 20 0 GIADMO CN(Cc1cn(C2CCCC2)nc1-c1ccccn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459539688 823215515 /nfs/dbraw/zinc/21/55/15/823215515.db2.gz CLAWMRUSEJBELE-WCRBZPEASA-N 1 1 379.552 4.117 20 0 GIADMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cn(C3CCCC3)nc1-c1ccccn1)C2 ZINC000459539688 823215533 /nfs/dbraw/zinc/21/55/33/823215533.db2.gz CLAWMRUSEJBELE-WCRBZPEASA-N 1 1 379.552 4.117 20 0 GIADMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cn(C3CCCC3)nc1-c1ccccn1)C2 ZINC000459539688 823215538 /nfs/dbraw/zinc/21/55/38/823215538.db2.gz CLAWMRUSEJBELE-WCRBZPEASA-N 1 1 379.552 4.117 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)C1 ZINC000459542617 823215863 /nfs/dbraw/zinc/21/58/63/823215863.db2.gz ARBMGOVITHGIEJ-ZDUSSCGKSA-N 1 1 391.409 4.010 20 0 GIADMO CC(C)OC1CC(N2CCCC3(CCC[N@@H+](C4CC(OC(C)C)C4)C3)C2)C1 ZINC000459542232 823215886 /nfs/dbraw/zinc/21/58/86/823215886.db2.gz XMAZSLBNLJDKNZ-UHFFFAOYSA-N 1 1 378.601 4.076 20 0 GIADMO CC(C)OC1CC(N2CCCC3(CCC[N@H+](C4CC(OC(C)C)C4)C3)C2)C1 ZINC000459542232 823215889 /nfs/dbraw/zinc/21/58/89/823215889.db2.gz XMAZSLBNLJDKNZ-UHFFFAOYSA-N 1 1 378.601 4.076 20 0 GIADMO CCCC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000121617476 823216880 /nfs/dbraw/zinc/21/68/80/823216880.db2.gz YZIAZNKPGHUCMJ-FQEVSTJZSA-N 1 1 396.535 4.175 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000176492759 823220068 /nfs/dbraw/zinc/22/00/68/823220068.db2.gz GADRUWLCXDDNLN-BPIHKTFHSA-N 1 1 384.549 4.007 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccco1 ZINC000409452049 823221827 /nfs/dbraw/zinc/22/18/27/823221827.db2.gz FXUZMMZZEDPIRB-TZIWHRDSSA-N 1 1 398.890 4.472 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)c1ccco1 ZINC000409452046 823221845 /nfs/dbraw/zinc/22/18/45/823221845.db2.gz FXUZMMZZEDPIRB-FPOVZHCZSA-N 1 1 398.890 4.472 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2ccc3ccc(Cl)cc32)C1 ZINC000409458058 823223622 /nfs/dbraw/zinc/22/36/22/823223622.db2.gz YUQGLGCKGRLTNF-OXQOHEQNSA-N 1 1 381.907 4.246 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc(Cl)c1O ZINC000459575109 823223746 /nfs/dbraw/zinc/22/37/46/823223746.db2.gz ZALUAINFSNYELK-NRFANRHFSA-N 1 1 393.886 4.011 20 0 GIADMO O=C(N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1(C(F)F)CCCC1 ZINC000571718978 823224160 /nfs/dbraw/zinc/22/41/60/823224160.db2.gz NDRIELYHVNDOEJ-MOPGFXCFSA-N 1 1 376.491 4.325 20 0 GIADMO C[C@H](c1cccs1)[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000121658007 823224367 /nfs/dbraw/zinc/22/43/67/823224367.db2.gz PLTCKMIEPYBRHZ-LLVKDONJSA-N 1 1 387.368 4.224 20 0 GIADMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000121658007 823224374 /nfs/dbraw/zinc/22/43/74/823224374.db2.gz PLTCKMIEPYBRHZ-LLVKDONJSA-N 1 1 387.368 4.224 20 0 GIADMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc(Br)c1O ZINC000459585664 823225464 /nfs/dbraw/zinc/22/54/64/823225464.db2.gz VDMXHMVHVIRPHL-USXIJHARSA-N 1 1 398.341 4.069 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000056868814 823225911 /nfs/dbraw/zinc/22/59/11/823225911.db2.gz IBCINCAEWLATGL-XLIONFOSSA-N 1 1 393.959 4.078 20 0 GIADMO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000121671954 823227034 /nfs/dbraw/zinc/22/70/34/823227034.db2.gz ZCAJDUQJPSWFHM-UHFFFAOYSA-N 1 1 398.528 4.313 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1)Nc1cccc(F)c1 ZINC000459599326 823227400 /nfs/dbraw/zinc/22/74/00/823227400.db2.gz YEAFNZFNCBJPNA-KRWDZBQOSA-N 1 1 392.272 4.149 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1)Nc1cccc(F)c1 ZINC000459599326 823227407 /nfs/dbraw/zinc/22/74/07/823227407.db2.gz YEAFNZFNCBJPNA-KRWDZBQOSA-N 1 1 392.272 4.149 20 0 GIADMO Cc1ccc(-c2nc(C(=O)NCc3ccc(-n4cc[nH+]c4C)c(F)c3)cs2)o1 ZINC000409456932 823223346 /nfs/dbraw/zinc/22/33/46/823223346.db2.gz LNJMNMAICWJIDW-UHFFFAOYSA-N 1 1 396.447 4.275 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000056892761 823228825 /nfs/dbraw/zinc/22/88/25/823228825.db2.gz GOPPMBDEQUCLOJ-UHFFFAOYSA-N 1 1 381.307 4.263 20 0 GIADMO O=C(COc1ccsc1Cl)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571748727 823229278 /nfs/dbraw/zinc/22/92/78/823229278.db2.gz FFBNXKQUTCEILW-HNNXBMFYSA-N 1 1 390.892 4.021 20 0 GIADMO CC[C@]1(CO)CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000188384869 823230948 /nfs/dbraw/zinc/23/09/48/823230948.db2.gz JUQRLKZILWKWLD-QHCPKHFHSA-N 1 1 387.568 4.468 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)c1cncc(F)c1 ZINC000459621158 823231053 /nfs/dbraw/zinc/23/10/53/823231053.db2.gz JTJXWXPPBXXOPA-SRVKXCTJSA-N 1 1 386.496 4.468 20 0 GIADMO C[NH+](C)Cc1cnc(CN2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)s1 ZINC000459624064 823231728 /nfs/dbraw/zinc/23/17/28/823231728.db2.gz TWGZKFACUSRSKW-LJQANCHMSA-N 1 1 399.539 4.461 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccccc1Br ZINC000459628500 823232389 /nfs/dbraw/zinc/23/23/89/823232389.db2.gz CUNBUGBVVUACIW-MNOVXSKESA-N 1 1 394.338 4.072 20 0 GIADMO CCN(C(=O)C[NH2+][C@H](C)c1nc2c(s1)CCC2)[C@H](C)c1ccc(F)cc1 ZINC000459628586 823232442 /nfs/dbraw/zinc/23/24/42/823232442.db2.gz DBGXFYADIABHED-ZIAGYGMSSA-N 1 1 375.513 4.031 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)CC12CCOCC2 ZINC000459646049 823237343 /nfs/dbraw/zinc/23/73/43/823237343.db2.gz HSIHTTIQTOFOLW-SFHVURJKSA-N 1 1 379.426 4.258 20 0 GIADMO CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cn1 ZINC000459646142 823237382 /nfs/dbraw/zinc/23/73/82/823237382.db2.gz ICYGSMNQQUTUIK-QGZVFWFLSA-N 1 1 385.474 4.107 20 0 GIADMO CS(=O)(=O)C[C@H]([NH2+]Cc1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000121704883 823234150 /nfs/dbraw/zinc/23/41/50/823234150.db2.gz JHUQKOQAHDQJIW-QFIPXVFZSA-N 1 1 381.497 4.354 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccccc1C(F)(F)F ZINC000459634412 823234326 /nfs/dbraw/zinc/23/43/26/823234326.db2.gz MWZOWZWKSFSMHA-GHMZBOCLSA-N 1 1 383.439 4.328 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409511114 823237662 /nfs/dbraw/zinc/23/76/62/823237662.db2.gz VDSIJYVBZYLPQC-PKOBYXMFSA-N 1 1 390.531 4.083 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1nc2c(s1)CCC2 ZINC000459642693 823235871 /nfs/dbraw/zinc/23/58/71/823235871.db2.gz ZLPHCUPTVYXYCA-LLVKDONJSA-N 1 1 398.359 4.248 20 0 GIADMO C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1nc2c(s1)CCC2 ZINC000459642696 823236057 /nfs/dbraw/zinc/23/60/57/823236057.db2.gz ZLPHCUPTVYXYCA-NSHDSACASA-N 1 1 398.359 4.248 20 0 GIADMO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)c1nc2c(s1)CCC2 ZINC000459643736 823236289 /nfs/dbraw/zinc/23/62/89/823236289.db2.gz VRVJGVNUJJYKNO-HNNXBMFYSA-N 1 1 381.501 4.109 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC12CCOCC2 ZINC000459646465 823237711 /nfs/dbraw/zinc/23/77/11/823237711.db2.gz IJQVNXMFDARARM-KRWDZBQOSA-N 1 1 379.426 4.258 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC12CCOCC2 ZINC000459646465 823237715 /nfs/dbraw/zinc/23/77/15/823237715.db2.gz IJQVNXMFDARARM-KRWDZBQOSA-N 1 1 379.426 4.258 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC12CCOCC2 ZINC000459646465 823237717 /nfs/dbraw/zinc/23/77/17/823237717.db2.gz IJQVNXMFDARARM-KRWDZBQOSA-N 1 1 379.426 4.258 20 0 GIADMO Cc1ncc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1-c1ccccc1 ZINC000459643409 823236456 /nfs/dbraw/zinc/23/64/56/823236456.db2.gz CQVVXAMANCZKMF-IBGZPJMESA-N 1 1 393.453 4.362 20 0 GIADMO COc1cc(C[NH+]2CC(C)(CC(F)(F)F)C2)ccc1OCc1ccncc1 ZINC000459644655 823237016 /nfs/dbraw/zinc/23/70/16/823237016.db2.gz XCKCLXAJBIRHFI-UHFFFAOYSA-N 1 1 380.410 4.444 20 0 GIADMO COc1cc2c(c(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)c1)O[C@@H](C)C2 ZINC000459644692 823237116 /nfs/dbraw/zinc/23/71/16/823237116.db2.gz FPBPNJZPAVUCRY-KSSFIOAISA-N 1 1 399.453 4.200 20 0 GIADMO CC[N@H+]1CCCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C2CC2)CC1 ZINC000571810818 823238100 /nfs/dbraw/zinc/23/81/00/823238100.db2.gz NRKAOFWWSPMIFT-UHFFFAOYSA-N 1 1 397.567 4.156 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459651878 823239489 /nfs/dbraw/zinc/23/94/89/823239489.db2.gz ZPQXALVZJLHHLS-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459651878 823239490 /nfs/dbraw/zinc/23/94/90/823239490.db2.gz ZPQXALVZJLHHLS-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[N@H+](C)Cc3ccccc3F)cc(=O)oc2c1 ZINC000057024698 823240804 /nfs/dbraw/zinc/24/08/04/823240804.db2.gz IYVDBVXRPOMJDM-UHFFFAOYSA-N 1 1 384.407 4.133 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[N@@H+](C)Cc3ccccc3F)cc(=O)oc2c1 ZINC000057024698 823240805 /nfs/dbraw/zinc/24/08/05/823240805.db2.gz IYVDBVXRPOMJDM-UHFFFAOYSA-N 1 1 384.407 4.133 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@H+](Cc2ccc(Br)o2)CC12CCOCC2 ZINC000459656871 823241778 /nfs/dbraw/zinc/24/17/78/823241778.db2.gz WEKHLYKKQYOQBJ-GFCCVEGCSA-N 1 1 382.220 4.223 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc(Br)o2)CC12CCOCC2 ZINC000459656871 823241781 /nfs/dbraw/zinc/24/17/81/823241781.db2.gz WEKHLYKKQYOQBJ-GFCCVEGCSA-N 1 1 382.220 4.223 20 0 GIADMO CCCOC1(c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)CCCCC1 ZINC000571840570 823243314 /nfs/dbraw/zinc/24/33/14/823243314.db2.gz DPICWYMJRFVBHY-LJQANCHMSA-N 1 1 384.524 4.430 20 0 GIADMO Fc1cccc(N2CCCC2)c1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000571842650 823243575 /nfs/dbraw/zinc/24/35/75/823243575.db2.gz VSIGFWWWKWZNIW-UHFFFAOYSA-N 1 1 390.506 4.461 20 0 GIADMO Fc1cccc(N2CCCC2)c1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000571842650 823243581 /nfs/dbraw/zinc/24/35/81/823243581.db2.gz VSIGFWWWKWZNIW-UHFFFAOYSA-N 1 1 390.506 4.461 20 0 GIADMO CCN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1cccnc1 ZINC000571848961 823245214 /nfs/dbraw/zinc/24/52/14/823245214.db2.gz XRGFZLGXPPCQKW-UNMCSNQZSA-N 1 1 394.563 4.476 20 0 GIADMO CCCCc1noc([C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459665605 823245353 /nfs/dbraw/zinc/24/53/53/823245353.db2.gz QRQUNMVGHSXKNC-KGLIPLIRSA-N 1 1 375.435 4.154 20 0 GIADMO CCCCc1noc([C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459665605 823245359 /nfs/dbraw/zinc/24/53/59/823245359.db2.gz QRQUNMVGHSXKNC-KGLIPLIRSA-N 1 1 375.435 4.154 20 0 GIADMO Cc1ccccc1C1(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CCC1 ZINC000409539297 823245662 /nfs/dbraw/zinc/24/56/62/823245662.db2.gz YWPJDPACTVONBL-UHFFFAOYSA-N 1 1 388.555 4.466 20 0 GIADMO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459666281 823245685 /nfs/dbraw/zinc/24/56/85/823245685.db2.gz RHOSYGDQXDZKGU-CRAIPNDOSA-N 1 1 394.441 4.009 20 0 GIADMO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459666281 823245690 /nfs/dbraw/zinc/24/56/90/823245690.db2.gz RHOSYGDQXDZKGU-CRAIPNDOSA-N 1 1 394.441 4.009 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459672031 823247738 /nfs/dbraw/zinc/24/77/38/823247738.db2.gz WZNBLWCSSQJWMO-KRWDZBQOSA-N 1 1 398.469 4.177 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459672031 823247740 /nfs/dbraw/zinc/24/77/40/823247740.db2.gz WZNBLWCSSQJWMO-KRWDZBQOSA-N 1 1 398.469 4.177 20 0 GIADMO O=C(CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(F)cc1 ZINC000459672045 823247762 /nfs/dbraw/zinc/24/77/62/823247762.db2.gz XBDUKNNPPVOPPS-GOSISDBHSA-N 1 1 387.417 4.470 20 0 GIADMO COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)oc1C ZINC000459669927 823246667 /nfs/dbraw/zinc/24/66/67/823246667.db2.gz VDPDTLQQDCNHKH-BLLLJJGKSA-N 1 1 389.414 4.117 20 0 GIADMO C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000571868088 823247773 /nfs/dbraw/zinc/24/77/73/823247773.db2.gz SONWXWUGKGFGSA-KPQWGBOZSA-N 1 1 389.547 4.361 20 0 GIADMO CO[C@@H](C)c1nc(C)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000176610801 823248172 /nfs/dbraw/zinc/24/81/72/823248172.db2.gz QCSORUXVAJOMFX-UXDRXVOSSA-N 1 1 399.560 4.084 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)c2cccc3ccccc32)cn1 ZINC000057128446 823252410 /nfs/dbraw/zinc/25/24/10/823252410.db2.gz XIVFODDIEVTOIA-MRXNPFEDSA-N 1 1 385.471 4.289 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(C3CC3)nc3ccc(C)cc32)cn1 ZINC000176613093 823248797 /nfs/dbraw/zinc/24/87/97/823248797.db2.gz DUOLMUBKDVKQTH-UHFFFAOYSA-N 1 1 397.482 4.240 20 0 GIADMO COc1ccc(C[N@H+](Cn2nc(-c3ccco3)n(C)c2=S)[C@H](C)C2CC2)cc1 ZINC000057100212 823249279 /nfs/dbraw/zinc/24/92/79/823249279.db2.gz WWKHBVOLBOMVLF-OAHLLOKOSA-N 1 1 398.532 4.478 20 0 GIADMO COc1ccc(C[N@@H+](Cn2nc(-c3ccco3)n(C)c2=S)[C@H](C)C2CC2)cc1 ZINC000057100212 823249281 /nfs/dbraw/zinc/24/92/81/823249281.db2.gz WWKHBVOLBOMVLF-OAHLLOKOSA-N 1 1 398.532 4.478 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459680806 823249600 /nfs/dbraw/zinc/24/96/00/823249600.db2.gz RJXYYMXMHFSADU-NQSCKRDGSA-N 1 1 376.500 4.182 20 0 GIADMO CCC[N@H+](Cn1nc(-c2cccnc2)n(C)c1=S)[C@@H]1CCc2ccccc2C1 ZINC000057104969 823249896 /nfs/dbraw/zinc/24/98/96/823249896.db2.gz MYDOZGHJSXPPRT-HXUWFJFHSA-N 1 1 393.560 4.240 20 0 GIADMO CCC[N@@H+](Cn1nc(-c2cccnc2)n(C)c1=S)[C@@H]1CCc2ccccc2C1 ZINC000057104969 823249900 /nfs/dbraw/zinc/24/99/00/823249900.db2.gz MYDOZGHJSXPPRT-HXUWFJFHSA-N 1 1 393.560 4.240 20 0 GIADMO c1c2c(sc1-c1nnc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)o1)CCCC2 ZINC000121782328 823250178 /nfs/dbraw/zinc/25/01/78/823250178.db2.gz KFRMZQNFEKUVIX-SJLPKXTDSA-N 1 1 398.576 4.126 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cn1 ZINC000057118300 823250673 /nfs/dbraw/zinc/25/06/73/823250673.db2.gz XVTWJLPBJPPNHF-UHFFFAOYSA-N 1 1 395.894 4.103 20 0 GIADMO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccncc1 ZINC000176621184 823250779 /nfs/dbraw/zinc/25/07/79/823250779.db2.gz FGZCHNXSIPMGJG-LQCXBHPOSA-N 1 1 378.520 4.028 20 0 GIADMO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459692108 823251509 /nfs/dbraw/zinc/25/15/09/823251509.db2.gz YUOQGWAGKHVTEZ-QGZVFWFLSA-N 1 1 385.533 4.061 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)Cc2ccc3ccccc3c2)cn1 ZINC000057126979 823251672 /nfs/dbraw/zinc/25/16/72/823251672.db2.gz PUWDFLWGHDXREZ-UHFFFAOYSA-N 1 1 385.471 4.071 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459692959 823251832 /nfs/dbraw/zinc/25/18/32/823251832.db2.gz ILVAQVNRVITLNG-YLJYHZDGSA-N 1 1 399.922 4.036 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cn1 ZINC000057127721 823251986 /nfs/dbraw/zinc/25/19/86/823251986.db2.gz LRFUNJDQQJMRFE-AWEZNQCLSA-N 1 1 383.883 4.132 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C)cn1 ZINC000057127223 823252076 /nfs/dbraw/zinc/25/20/76/823252076.db2.gz VYCYPDMRRIGOTF-HXUWFJFHSA-N 1 1 377.492 4.162 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cccc(Br)c2F)[C@@H]1O ZINC000459716359 823255749 /nfs/dbraw/zinc/25/57/49/823255749.db2.gz WAIOOHDCOQOYAR-HIFRSBDPSA-N 1 1 386.286 4.013 20 0 GIADMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057155702 823256669 /nfs/dbraw/zinc/25/66/69/823256669.db2.gz QQISQDCSQVLBQJ-GOSISDBHSA-N 1 1 391.490 4.104 20 0 GIADMO Fc1cccc(C[N@H+]2CCC[C@H](c3nc([C@@H]4COc5ccccc5O4)no3)C2)c1 ZINC000571935352 823256833 /nfs/dbraw/zinc/25/68/33/823256833.db2.gz KRXSRVZVRYVMQH-JXFKEZNVSA-N 1 1 395.434 4.101 20 0 GIADMO COc1ccc([C@H](CO)CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000459741000 823259140 /nfs/dbraw/zinc/25/91/40/823259140.db2.gz JVZFZYFNEYADIO-IBGZPJMESA-N 1 1 376.585 4.040 20 0 GIADMO CCOCCOCc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057175228 823259306 /nfs/dbraw/zinc/25/93/06/823259306.db2.gz SNUQTMDGBWLZOV-QFIPXVFZSA-N 1 1 396.531 4.090 20 0 GIADMO CCc1noc([C@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)n1 ZINC000459747971 823259786 /nfs/dbraw/zinc/25/97/86/823259786.db2.gz HNDMZJYNAQDTQS-ORYQWCPZSA-N 1 1 394.494 4.090 20 0 GIADMO CCc1noc([C@@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)n1 ZINC000459747973 823259879 /nfs/dbraw/zinc/25/98/79/823259879.db2.gz HNDMZJYNAQDTQS-TYCQWZJGSA-N 1 1 394.494 4.090 20 0 GIADMO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000571962500 823261281 /nfs/dbraw/zinc/26/12/81/823261281.db2.gz QBTGHOIZRUNZOP-HNNXBMFYSA-N 1 1 387.911 4.168 20 0 GIADMO Cc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c1C ZINC000188562659 823262466 /nfs/dbraw/zinc/26/24/66/823262466.db2.gz SODYQDGESVXRNV-QGZVFWFLSA-N 1 1 379.504 4.241 20 0 GIADMO C[NH+](C)[C@H](C(=O)NCCSCc1ccccc1F)c1cccc(Cl)c1 ZINC000409617404 823262956 /nfs/dbraw/zinc/26/29/56/823262956.db2.gz LGWXKWSFGXTBOH-SFHVURJKSA-N 1 1 380.916 4.131 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409619770 823263597 /nfs/dbraw/zinc/26/35/97/823263597.db2.gz GTAPYJGFJUZBPT-BHIYHBOVSA-N 1 1 379.495 4.022 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000121856607 823264156 /nfs/dbraw/zinc/26/41/56/823264156.db2.gz FULORTFAOFRASY-HNNXBMFYSA-N 1 1 396.457 4.436 20 0 GIADMO 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GIADMO COc1ccc(CNC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000015125724 818292728 /nfs/dbraw/zinc/29/27/28/818292728.db2.gz FCZAJIXGZYTFST-UHFFFAOYSA-N 1 1 395.547 4.188 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)C1 ZINC000176930869 823327133 /nfs/dbraw/zinc/32/71/33/823327133.db2.gz VTLNQZVAJCZDHB-KRWDZBQOSA-N 1 1 398.507 4.036 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 ZINC000572392840 823332344 /nfs/dbraw/zinc/33/23/44/823332344.db2.gz XIUBETXHGVLVHV-UHFFFAOYSA-N 1 1 387.902 4.194 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc1OC ZINC000015298104 818308589 /nfs/dbraw/zinc/30/85/89/818308589.db2.gz GIPWBWKQKBIJJM-SFHVURJKSA-N 1 1 398.547 4.212 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc1OC ZINC000015298104 818308596 /nfs/dbraw/zinc/30/85/96/818308596.db2.gz GIPWBWKQKBIJJM-SFHVURJKSA-N 1 1 398.547 4.212 20 0 GIADMO Cc1cc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)ccc1-c1ccccc1 ZINC000460239992 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ZINC000016339225 818425863 /nfs/dbraw/zinc/42/58/63/818425863.db2.gz NYENOKILBADGMK-FQEVSTJZSA-N 1 1 390.886 4.283 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000016342938 818426935 /nfs/dbraw/zinc/42/69/35/818426935.db2.gz OHGPWVHWYWWGMN-MRXNPFEDSA-N 1 1 378.472 4.316 20 0 GIADMO CCC[N@@H+](CCOc1cccc(C)c1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000016390048 818434020 /nfs/dbraw/zinc/43/40/20/818434020.db2.gz XGHUKJGCYJHVFP-UHFFFAOYSA-N 1 1 380.410 4.142 20 0 GIADMO C[C@@H]1CCN(C(=O)C[N@H+](C)CCOc2ccccc2F)c2ccccc2S1 ZINC000016422942 818441440 /nfs/dbraw/zinc/44/14/40/818441440.db2.gz OWVALFHEKCTLRC-MRXNPFEDSA-N 1 1 388.508 4.054 20 0 GIADMO C[C@@H]1CCN(C(=O)C[N@@H+](C)CCOc2ccccc2F)c2ccccc2S1 ZINC000016422942 818441447 /nfs/dbraw/zinc/44/14/47/818441447.db2.gz OWVALFHEKCTLRC-MRXNPFEDSA-N 1 1 388.508 4.054 20 0 GIADMO COC(=O)c1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000176970419 823338366 /nfs/dbraw/zinc/33/83/66/823338366.db2.gz CXVDHLXPSWDKPS-UHFFFAOYSA-N 1 1 377.893 4.283 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000572438079 823339135 /nfs/dbraw/zinc/33/91/35/823339135.db2.gz AEHVHDCBSKOOCS-GDWUOILNSA-N 1 1 376.566 4.035 20 0 GIADMO CCn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000460284682 823339880 /nfs/dbraw/zinc/33/98/80/823339880.db2.gz BJEKFDMDYFBXHV-UHFFFAOYSA-N 1 1 387.597 4.043 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000572446520 823340972 /nfs/dbraw/zinc/34/09/72/823340972.db2.gz YNFGUIHRRUYAHN-ZMZPIMSZSA-N 1 1 395.334 4.412 20 0 GIADMO CC[NH+](CC)CC1CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000057847066 823341055 /nfs/dbraw/zinc/34/10/55/823341055.db2.gz RSLZWJDSJPMSTB-UHFFFAOYSA-N 1 1 379.548 4.346 20 0 GIADMO CC[C@@H](C)c1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000017305752 818507167 /nfs/dbraw/zinc/50/71/67/818507167.db2.gz MWKTYYWRSYIACN-MSOLQXFVSA-N 1 1 391.519 4.412 20 0 GIADMO CC[C@@H](C)c1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000017305752 818507174 /nfs/dbraw/zinc/50/71/74/818507174.db2.gz MWKTYYWRSYIACN-MSOLQXFVSA-N 1 1 391.519 4.412 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)C2)cc1 ZINC000572451338 823342186 /nfs/dbraw/zinc/34/21/86/823342186.db2.gz OFMXQOVUBPTNEC-YJBOKZPZSA-N 1 1 387.549 4.050 20 0 GIADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(s1)-c1ccccc1OC2 ZINC000017701781 818524777 /nfs/dbraw/zinc/52/47/77/818524777.db2.gz QPVTUONMRMNEHT-SFHVURJKSA-N 1 1 390.508 4.312 20 0 GIADMO C[N@@H+]1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1 ZINC000018166018 818553595 /nfs/dbraw/zinc/55/35/95/818553595.db2.gz MPUIUCOQWGTZMB-KRWDZBQOSA-N 1 1 379.451 4.391 20 0 GIADMO C[N@H+]1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1 ZINC000018166018 818553604 /nfs/dbraw/zinc/55/36/04/818553604.db2.gz MPUIUCOQWGTZMB-KRWDZBQOSA-N 1 1 379.451 4.391 20 0 GIADMO CCN(c1nnc(-c2ccoc2)n1CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460304071 823346572 /nfs/dbraw/zinc/34/65/72/823346572.db2.gz ODTXLXHCGDHPCE-YLJYHZDGSA-N 1 1 379.508 4.220 20 0 GIADMO CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000057947001 823349706 /nfs/dbraw/zinc/34/97/06/823349706.db2.gz HEXQEADPJFJSSV-WMZHIEFXSA-N 1 1 385.504 4.061 20 0 GIADMO C[C@H](OC[C@H](O)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000057948978 823349746 /nfs/dbraw/zinc/34/97/46/823349746.db2.gz DFXSAVFWPHZQKY-HTAPYJJXSA-N 1 1 399.922 4.096 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)C(C)(C)COCc2ccccc2)CC1 ZINC000409940837 823348669 /nfs/dbraw/zinc/34/86/69/823348669.db2.gz DGWJGISCBLFGOC-UHFFFAOYSA-N 1 1 382.504 4.003 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000177022395 823351744 /nfs/dbraw/zinc/35/17/44/823351744.db2.gz PWKBYRIHIFLMMV-UTKZUKDTSA-N 1 1 394.519 4.210 20 0 GIADMO CCn1c(CSc2ccc(C)cc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460319501 823351954 /nfs/dbraw/zinc/35/19/54/823351954.db2.gz VCQVFVXQXASKNZ-UHFFFAOYSA-N 1 1 399.608 4.353 20 0 GIADMO COc1ccc(C[NH2+]Cc2cc(F)c(F)cc2Br)c(C)c1OC ZINC000572518872 823352915 /nfs/dbraw/zinc/35/29/15/823352915.db2.gz PVEKLMDJCGXBGK-UHFFFAOYSA-N 1 1 386.236 4.343 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(OCCCOC)CC1 ZINC000122431749 823353223 /nfs/dbraw/zinc/35/32/23/823353223.db2.gz MRMKMDVJQTZALL-QZTJIDSGSA-N 1 1 376.541 4.045 20 0 GIADMO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccs3)o2)o1 ZINC000020947929 818642307 /nfs/dbraw/zinc/64/23/07/818642307.db2.gz BYOANQYWDUMTBV-JTQLQIEISA-N 1 1 380.267 4.491 20 0 GIADMO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccs3)o2)o1 ZINC000020947929 818642318 /nfs/dbraw/zinc/64/23/18/818642318.db2.gz BYOANQYWDUMTBV-JTQLQIEISA-N 1 1 380.267 4.491 20 0 GIADMO Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(O)c1 ZINC000021004157 818647166 /nfs/dbraw/zinc/64/71/66/818647166.db2.gz RZANWQGBGXPZTC-UHFFFAOYSA-N 1 1 386.495 4.248 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3sc(-c4cccs4)nc3C)sc2C1 ZINC000021295763 818672609 /nfs/dbraw/zinc/67/26/09/818672609.db2.gz MUDLHKYFCGIVPZ-UHFFFAOYSA-N 1 1 390.559 4.267 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3sc(-c4cccs4)nc3C)sc2C1 ZINC000021295763 818672614 /nfs/dbraw/zinc/67/26/14/818672614.db2.gz MUDLHKYFCGIVPZ-UHFFFAOYSA-N 1 1 390.559 4.267 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000021417137 818684670 /nfs/dbraw/zinc/68/46/70/818684670.db2.gz JYHFHWOBIWTFRL-VQTJNVASSA-N 1 1 389.455 4.387 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000021417137 818684674 /nfs/dbraw/zinc/68/46/74/818684674.db2.gz JYHFHWOBIWTFRL-VQTJNVASSA-N 1 1 389.455 4.387 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000572563075 823361650 /nfs/dbraw/zinc/36/16/50/823361650.db2.gz OFNPHZSMWYVGJL-GDBMZVCRSA-N 1 1 377.410 4.307 20 0 GIADMO COc1c(F)cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000177039209 823356775 /nfs/dbraw/zinc/35/67/75/823356775.db2.gz UBTPSRFIVLPQQT-GOEBONIOSA-N 1 1 389.446 4.148 20 0 GIADMO COc1c(F)cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000177039225 823356798 /nfs/dbraw/zinc/35/67/98/823356798.db2.gz UBTPSRFIVLPQQT-ZBFHGGJFSA-N 1 1 389.446 4.148 20 0 GIADMO Cc1noc(C(C)C)c1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000021557598 818703948 /nfs/dbraw/zinc/70/39/48/818703948.db2.gz AULAPEISKBBEKA-UHFFFAOYSA-N 1 1 377.488 4.218 20 0 GIADMO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1OC ZINC000122454519 823356961 /nfs/dbraw/zinc/35/69/61/823356961.db2.gz RLIOVNGPURSVDA-GJZGRUSLSA-N 1 1 377.456 4.280 20 0 GIADMO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000058047140 823357478 /nfs/dbraw/zinc/35/74/78/823357478.db2.gz PFZOTKONBOUHIY-UHFFFAOYSA-N 1 1 380.414 4.088 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000058047140 823357484 /nfs/dbraw/zinc/35/74/84/823357484.db2.gz PFZOTKONBOUHIY-UHFFFAOYSA-N 1 1 380.414 4.088 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1Cl ZINC000021672994 818723970 /nfs/dbraw/zinc/72/39/70/818723970.db2.gz XZYJUENWZHCQHQ-OAHLLOKOSA-N 1 1 376.884 4.077 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1Cl ZINC000021672994 818723974 /nfs/dbraw/zinc/72/39/74/818723974.db2.gz XZYJUENWZHCQHQ-OAHLLOKOSA-N 1 1 376.884 4.077 20 0 GIADMO C[NH+](C)Cc1ccc(NC(=O)CCCC2CCOCC2)cc1Br ZINC000409970959 823358494 /nfs/dbraw/zinc/35/84/94/823358494.db2.gz MIUQQBRVJWMVCF-UHFFFAOYSA-N 1 1 383.330 4.046 20 0 GIADMO CN(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460341853 823358687 /nfs/dbraw/zinc/35/86/87/823358687.db2.gz YJKWVMKTNOTMGX-OTWHNJEPSA-N 1 1 397.485 4.414 20 0 GIADMO Cc1csc(C2([NH2+][C@@H](C)C(=O)Nc3ccc(OC(F)F)cc3)CCC2)n1 ZINC000460343702 823359424 /nfs/dbraw/zinc/35/94/24/823359424.db2.gz QRJQNFHRXSFWMR-LBPRGKRZSA-N 1 1 381.448 4.049 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1OC(F)F ZINC000572553560 823359823 /nfs/dbraw/zinc/35/98/23/823359823.db2.gz ORVYLIPPXDJKQS-OAHLLOKOSA-N 1 1 377.435 4.238 20 0 GIADMO Cc1cc(CNC(=O)NC(C)(C)Cc2ccccc2C)cc(N2CCCC2)[nH+]1 ZINC000460346460 823360036 /nfs/dbraw/zinc/36/00/36/823360036.db2.gz GUCPMURSPSVDGO-UHFFFAOYSA-N 1 1 380.536 4.119 20 0 GIADMO Cc1cc(F)cc(NC(=O)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000122479332 823360398 /nfs/dbraw/zinc/36/03/98/823360398.db2.gz ONEMMZUKCFVJGX-UHFFFAOYSA-N 1 1 397.494 4.476 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)c2csc(-c3cccs3)n2)C1 ZINC000409977797 823360636 /nfs/dbraw/zinc/36/06/36/823360636.db2.gz GSKWZETYMFRSBS-LSDHHAIUSA-N 1 1 389.590 4.092 20 0 GIADMO COc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c(Br)c1OC ZINC000460348787 823360635 /nfs/dbraw/zinc/36/06/35/823360635.db2.gz GIWLVOYDLNCYAU-BBRMVZONSA-N 1 1 391.309 4.444 20 0 GIADMO COc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c(Br)c1OC ZINC000460348787 823360643 /nfs/dbraw/zinc/36/06/43/823360643.db2.gz GIWLVOYDLNCYAU-BBRMVZONSA-N 1 1 391.309 4.444 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)c(F)c1 ZINC000572565366 823362020 /nfs/dbraw/zinc/36/20/20/823362020.db2.gz RQQIRPJFHXWKQJ-JTQLQIEISA-N 1 1 384.220 4.365 20 0 GIADMO Cc1cccc2[nH]c(CCC(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)nc21 ZINC000177065540 823362837 /nfs/dbraw/zinc/36/28/37/823362837.db2.gz LMVPNUHISGKMNF-ZHRRBRCNSA-N 1 1 396.560 4.065 20 0 GIADMO Cc1cccc2nc(CCC(=O)NC[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)[nH]c21 ZINC000177065540 823362844 /nfs/dbraw/zinc/36/28/44/823362844.db2.gz LMVPNUHISGKMNF-ZHRRBRCNSA-N 1 1 396.560 4.065 20 0 GIADMO Cc1cccc2nc(CCC(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)[nH]c21 ZINC000177065540 823362847 /nfs/dbraw/zinc/36/28/47/823362847.db2.gz LMVPNUHISGKMNF-ZHRRBRCNSA-N 1 1 396.560 4.065 20 0 GIADMO CC[N@H+](Cc1ccc(-n2ccnc2)nc1)Cc1cc(Br)ccc1F ZINC000177065442 823362919 /nfs/dbraw/zinc/36/29/19/823362919.db2.gz JXYLWJBZLGQASL-UHFFFAOYSA-N 1 1 389.272 4.191 20 0 GIADMO CC[N@@H+](Cc1ccc(-n2ccnc2)nc1)Cc1cc(Br)ccc1F ZINC000177065442 823362926 /nfs/dbraw/zinc/36/29/26/823362926.db2.gz JXYLWJBZLGQASL-UHFFFAOYSA-N 1 1 389.272 4.191 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022198547 818782189 /nfs/dbraw/zinc/78/21/89/818782189.db2.gz VSAHIYYHEAMDNV-UHFFFAOYSA-N 1 1 397.302 4.471 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)C1 ZINC000177067163 823363601 /nfs/dbraw/zinc/36/36/01/823363601.db2.gz YHMUPXFSITWEFC-KRWDZBQOSA-N 1 1 398.507 4.078 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCC1CCOCC1 ZINC000122516405 823365650 /nfs/dbraw/zinc/36/56/50/823365650.db2.gz ZHOFYLJHSNVPMV-LJQANCHMSA-N 1 1 387.568 4.019 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000460367391 823365640 /nfs/dbraw/zinc/36/56/40/823365640.db2.gz VUNJXZKTDSUJTO-QMHKHESXSA-N 1 1 376.479 4.478 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000460367391 823365645 /nfs/dbraw/zinc/36/56/45/823365645.db2.gz VUNJXZKTDSUJTO-QMHKHESXSA-N 1 1 376.479 4.478 20 0 GIADMO COc1cccc(C[NH+]2CCN(Cc3csc(-c4ccsc4)n3)CC2)c1 ZINC000022547461 818823418 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WOEWQMNBWZYHHR-HXUWFJFHSA-N 1 1 391.544 4.476 20 0 GIADMO CC(=O)Oc1ccc(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000123031158 823450820 /nfs/dbraw/zinc/45/08/20/823450820.db2.gz MZZKHMVWVJPFFG-UHFFFAOYSA-N 1 1 381.451 4.206 20 0 GIADMO C[C@H](c1ccc(NC(=O)Nc2cccc3ccn(C)c32)cc1)[NH+]1CCOCC1 ZINC000189581366 823451014 /nfs/dbraw/zinc/45/10/14/823451014.db2.gz UIKGMIRXEWNZHB-MRXNPFEDSA-N 1 1 378.476 4.216 20 0 GIADMO C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026370183 820091183 /nfs/dbraw/zinc/09/11/83/820091183.db2.gz RWLQOCPPTWJYAU-HNNXBMFYSA-N 1 1 397.519 4.320 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)cc1OC(F)F ZINC000026453700 820099639 /nfs/dbraw/zinc/09/96/39/820099639.db2.gz YSRVLHHTONFWIT-OAHLLOKOSA-N 1 1 392.446 4.372 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C)c2C)cc1OC(F)F ZINC000026453700 820099648 /nfs/dbraw/zinc/09/96/48/820099648.db2.gz YSRVLHHTONFWIT-OAHLLOKOSA-N 1 1 392.446 4.372 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NCC3CCCCC3)CC2)c(C)c1 ZINC000026640643 820126299 /nfs/dbraw/zinc/12/62/99/820126299.db2.gz VAWNVWFYOBVFLG-IBGZPJMESA-N 1 1 384.564 4.283 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)c(C)c1 ZINC000026642083 820127297 /nfs/dbraw/zinc/12/72/97/820127297.db2.gz LZPPWESFTBRLNN-NFBKMPQASA-N 1 1 396.575 4.379 20 0 GIADMO COCC[N@@H+](Cc1c[nH]c2nccnc12)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000573145437 823455316 /nfs/dbraw/zinc/45/53/16/823455316.db2.gz DPVRCFRVXKHHHW-CYBMUJFWSA-N 1 1 378.398 4.138 20 0 GIADMO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000026713709 820135724 /nfs/dbraw/zinc/13/57/24/820135724.db2.gz XCXNDJPFFMCQQM-OAQYLSRUSA-N 1 1 390.483 4.278 20 0 GIADMO Fc1cc(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000026724104 820136762 /nfs/dbraw/zinc/13/67/62/820136762.db2.gz FRNZHTLQYUZHSO-GOSISDBHSA-N 1 1 377.843 4.389 20 0 GIADMO Clc1ccc(OC[C@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)no2)cc1 ZINC000026723322 820137079 /nfs/dbraw/zinc/13/70/79/820137079.db2.gz APTUGOBMKWEZBT-CQSZACIVSA-N 1 1 375.881 4.495 20 0 GIADMO Clc1ccc(OC[C@H]2CCC[N@H+]2Cc2nc(-c3cccs3)no2)cc1 ZINC000026723322 820137089 /nfs/dbraw/zinc/13/70/89/820137089.db2.gz APTUGOBMKWEZBT-CQSZACIVSA-N 1 1 375.881 4.495 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCCCC[C@H]3C[C@H](C)O)c2)cc1 ZINC000573167834 823458682 /nfs/dbraw/zinc/45/86/82/823458682.db2.gz ZPTVBOWDSBEHCY-AVRDEDQJSA-N 1 1 396.531 4.463 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000460623996 823459087 /nfs/dbraw/zinc/45/90/87/823459087.db2.gz XSPCFCOZDTYZIG-RTWAWAEBSA-N 1 1 381.564 4.261 20 0 GIADMO COc1cccc([C@@H](C)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000573140021 823453856 /nfs/dbraw/zinc/45/38/56/823453856.db2.gz XCHCMFTYHDUXFR-QZTJIDSGSA-N 1 1 386.561 4.149 20 0 GIADMO COCc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000027045951 820185206 /nfs/dbraw/zinc/18/52/06/820185206.db2.gz RSRRFQYLJPHVFU-HSZRJFAPSA-N 1 1 390.483 4.311 20 0 GIADMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@@](C)(O)C(F)(F)F ZINC000410317494 823461347 /nfs/dbraw/zinc/46/13/47/823461347.db2.gz SLLOCDIOZHITQA-GOSISDBHSA-N 1 1 395.450 4.346 20 0 GIADMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@@](C)(O)C(F)(F)F ZINC000410317494 823461349 /nfs/dbraw/zinc/46/13/49/823461349.db2.gz SLLOCDIOZHITQA-GOSISDBHSA-N 1 1 395.450 4.346 20 0 GIADMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@](C)(O)C(F)(F)F ZINC000410317495 823461380 /nfs/dbraw/zinc/46/13/80/823461380.db2.gz SLLOCDIOZHITQA-SFHVURJKSA-N 1 1 395.450 4.346 20 0 GIADMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@](C)(O)C(F)(F)F ZINC000410317495 823461382 /nfs/dbraw/zinc/46/13/82/823461382.db2.gz SLLOCDIOZHITQA-SFHVURJKSA-N 1 1 395.450 4.346 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)cc1F ZINC000027211797 820210299 /nfs/dbraw/zinc/21/02/99/820210299.db2.gz UAAFANUWBOYDPX-LBPRGKRZSA-N 1 1 395.272 4.056 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)cc1F ZINC000027211797 820210305 /nfs/dbraw/zinc/21/03/05/820210305.db2.gz UAAFANUWBOYDPX-LBPRGKRZSA-N 1 1 395.272 4.056 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C1CCCCC1 ZINC000027286667 820221286 /nfs/dbraw/zinc/22/12/86/820221286.db2.gz ASLJCHWMPJLGHU-UHFFFAOYSA-N 1 1 385.430 4.257 20 0 GIADMO Cc1nc(NC(=O)c2c[nH+]ccc2N(C)C)sc1Cc1c(F)cccc1F ZINC000573192563 823463515 /nfs/dbraw/zinc/46/35/15/823463515.db2.gz KBCQJJULWGTJPP-UHFFFAOYSA-N 1 1 388.443 4.034 20 0 GIADMO COc1cccc(CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410325079 823463720 /nfs/dbraw/zinc/46/37/20/823463720.db2.gz VYQKFWWXHKVVGJ-IBGZPJMESA-N 1 1 395.547 4.112 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000189637079 823463891 /nfs/dbraw/zinc/46/38/91/823463891.db2.gz XFFXOOWAIOYUQJ-YWZLYKJASA-N 1 1 394.544 4.087 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)CCSc2ccnc3cc(Cl)ccc32)CC[N@H+]1C ZINC000177447732 823464042 /nfs/dbraw/zinc/46/40/42/823464042.db2.gz 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c1csc(-c2noc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)n2)c1 ZINC000027574561 820262104 /nfs/dbraw/zinc/26/21/04/820262104.db2.gz JDRMCRPKYJOCQG-UHFFFAOYSA-N 1 1 383.473 4.472 20 0 GIADMO c1csc(-c2noc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)n2)c1 ZINC000027574561 820262112 /nfs/dbraw/zinc/26/21/12/820262112.db2.gz JDRMCRPKYJOCQG-UHFFFAOYSA-N 1 1 383.473 4.472 20 0 GIADMO O=C1[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)CCCN1Cc1ccccc1 ZINC000123123512 823466087 /nfs/dbraw/zinc/46/60/87/823466087.db2.gz GKTAKAMHJPYGAV-KRWDZBQOSA-N 1 1 380.460 4.016 20 0 GIADMO COCC[N@H+](Cc1cnc(OC)nc1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000410336540 823466681 /nfs/dbraw/zinc/46/66/81/823466681.db2.gz HBXZZHGZDKECSN-CQSZACIVSA-N 1 1 383.414 4.022 20 0 GIADMO COCC[N@@H+](Cc1cnc(OC)nc1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000410336540 823466683 /nfs/dbraw/zinc/46/66/83/823466683.db2.gz HBXZZHGZDKECSN-CQSZACIVSA-N 1 1 383.414 4.022 20 0 GIADMO C[C@@H](Sc1ccc(Br)cc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000058891369 823467232 /nfs/dbraw/zinc/46/72/32/823467232.db2.gz JSOGWFNYVORWFA-QLFBSQMISA-N 1 1 399.398 4.166 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(OCc2ccc(F)cc2)c1)c1ccco1 ZINC000058893056 823467241 /nfs/dbraw/zinc/46/72/41/823467241.db2.gz IYDWKYVJYAPUJJ-HXUWFJFHSA-N 1 1 397.450 4.422 20 0 GIADMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1cc(F)cc2c1OCOC2)c1ccco1 ZINC000177458703 823467461 /nfs/dbraw/zinc/46/74/61/823467461.db2.gz MTZHEDXMSZDXDF-MOPGFXCFSA-N 1 1 375.440 4.154 20 0 GIADMO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)no1 ZINC000027883716 820293630 /nfs/dbraw/zinc/29/36/30/820293630.db2.gz PBCKJZXLQIIIDE-SFHVURJKSA-N 1 1 398.532 4.351 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)no1 ZINC000027883716 820293638 /nfs/dbraw/zinc/29/36/38/820293638.db2.gz PBCKJZXLQIIIDE-SFHVURJKSA-N 1 1 398.532 4.351 20 0 GIADMO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(F)c1F ZINC000460654411 823467921 /nfs/dbraw/zinc/46/79/21/823467921.db2.gz GWJRVFHDIKGAMG-YTQUADARSA-N 1 1 399.485 4.189 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCc3sccc3C2)C1 ZINC000410354064 823471427 /nfs/dbraw/zinc/47/14/27/823471427.db2.gz PBIFVENGOXWRSN-QGZVFWFLSA-N 1 1 383.561 4.248 20 0 GIADMO CC(C)c1ccccc1OC[C@H](O)CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000573238227 823469192 /nfs/dbraw/zinc/46/91/92/823469192.db2.gz VJYWGZPDZMFXOA-DENIHFKCSA-N 1 1 398.547 4.055 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000410347040 823469332 /nfs/dbraw/zinc/46/93/32/823469332.db2.gz YFWBUMQMVJHNIF-LJQANCHMSA-N 1 1 392.547 4.330 20 0 GIADMO CO[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1 ZINC000410354362 823471508 /nfs/dbraw/zinc/47/15/08/823471508.db2.gz PNWXZQYOPGJIBG-AUSIDOKSSA-N 1 1 395.547 4.105 20 0 GIADMO O=C(NCc1csc(-c2ccccc2)n1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000028240369 820319876 /nfs/dbraw/zinc/31/98/76/820319876.db2.gz OCASXTQHFLLPAE-HXUWFJFHSA-N 1 1 377.513 4.091 20 0 GIADMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000573256186 823471526 /nfs/dbraw/zinc/47/15/26/823471526.db2.gz CNKOCZPWIDLMDV-UHFFFAOYSA-N 1 1 379.504 4.435 20 0 GIADMO C[C@H](CNC(=O)N1CCC(Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000028379202 820330539 /nfs/dbraw/zinc/33/05/39/820330539.db2.gz QOJYXRVTGVHLOT-GOSISDBHSA-N 1 1 397.588 4.159 20 0 GIADMO C[C@H](CNC(=O)N1CCC(Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000028379202 820330547 /nfs/dbraw/zinc/33/05/47/820330547.db2.gz QOJYXRVTGVHLOT-GOSISDBHSA-N 1 1 397.588 4.159 20 0 GIADMO CC[C@H](CNC(=O)N(C)Cc1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028392648 820332345 /nfs/dbraw/zinc/33/23/45/820332345.db2.gz VYMCKYLKCNBKTN-OAQYLSRUSA-N 1 1 385.939 4.318 20 0 GIADMO CCOc1cccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410351278 823470734 /nfs/dbraw/zinc/47/07/34/823470734.db2.gz GOLOVTWRMCCXJA-IBGZPJMESA-N 1 1 395.547 4.317 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)C3(Cc4ccccc4)CC3)CC2)cs1 ZINC000177474331 823470994 /nfs/dbraw/zinc/47/09/94/823470994.db2.gz KXYMAZIFZVZUKL-UHFFFAOYSA-N 1 1 397.588 4.057 20 0 GIADMO CC[N@H+]1CC[C@H](CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000058924427 823471073 /nfs/dbraw/zinc/47/10/73/823471073.db2.gz BQSSGCMBJVJYRW-CYBMUJFWSA-N 1 1 396.318 4.039 20 0 GIADMO C[C@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410357294 823472781 /nfs/dbraw/zinc/47/27/81/823472781.db2.gz DGMPIZWUMOQWQG-MOPGFXCFSA-N 1 1 383.536 4.475 20 0 GIADMO O=C(Nc1cccc(OCCF)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000123196633 823477193 /nfs/dbraw/zinc/47/71/93/823477193.db2.gz DUNFMVKFOZZUAO-SEJPIABJSA-N 1 1 397.494 4.352 20 0 GIADMO O=C(CC[NH+]1CCN(Cc2cccs2)CC1)Nc1cc(Cl)ccc1Cl ZINC000028886537 820366702 /nfs/dbraw/zinc/36/67/02/820366702.db2.gz VFIDFDPLEFWELN-UHFFFAOYSA-N 1 1 398.359 4.201 20 0 GIADMO CO[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000410361067 823474163 /nfs/dbraw/zinc/47/41/63/823474163.db2.gz UIJULIGEPRIPQV-AUSIDOKSSA-N 1 1 395.547 4.105 20 0 GIADMO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1Cl ZINC000028965020 820377822 /nfs/dbraw/zinc/37/78/22/820377822.db2.gz UQHWZHYNECKJPW-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c(OC)cc1Cl ZINC000028975106 820379039 /nfs/dbraw/zinc/37/90/39/820379039.db2.gz DFXOGRRXQMRWKU-AWEZNQCLSA-N 1 1 380.897 4.194 20 0 GIADMO COc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c(OC)cc1Cl ZINC000028975106 820379044 /nfs/dbraw/zinc/37/90/44/820379044.db2.gz DFXOGRRXQMRWKU-AWEZNQCLSA-N 1 1 380.897 4.194 20 0 GIADMO C[N@@H+](C[C@@H](O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C1CC1 ZINC000573295349 823477449 /nfs/dbraw/zinc/47/74/49/823477449.db2.gz QMBWWCDOPLJXOP-LJQANCHMSA-N 1 1 379.529 4.291 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000058952373 823475012 /nfs/dbraw/zinc/47/50/12/823475012.db2.gz UBJOPCVFIVPYGN-LVMGUKCRSA-N 1 1 393.487 4.156 20 0 GIADMO Cc1cc(/C=C(/C#N)C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c(C)n1CCC(C)C ZINC000058957099 823476035 /nfs/dbraw/zinc/47/60/35/823476035.db2.gz YVBZZIWCQDVRMS-MTEVNVADSA-N 1 1 395.551 4.015 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000029158543 820402099 /nfs/dbraw/zinc/40/20/99/820402099.db2.gz NEMRRMOFQSJKSF-UHFFFAOYSA-N 1 1 399.579 4.206 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1OCC ZINC000058957534 823476094 /nfs/dbraw/zinc/47/60/94/823476094.db2.gz JAEVLQGHSYQSMT-CQSZACIVSA-N 1 1 393.915 4.099 20 0 GIADMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000058959268 823476400 /nfs/dbraw/zinc/47/64/00/823476400.db2.gz SKRUZPPBHXHPMU-IPMKNSEASA-N 1 1 382.470 4.446 20 0 GIADMO CC1CCC(N(C)C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000410366772 823476513 /nfs/dbraw/zinc/47/65/13/823476513.db2.gz RDQSHXSBIVMUER-QLIQKORZSA-N 1 1 387.568 4.016 20 0 GIADMO Cc1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000029192981 820409063 /nfs/dbraw/zinc/40/90/63/820409063.db2.gz NAUVNAMEJMJZRV-UHFFFAOYSA-N 1 1 396.922 4.086 20 0 GIADMO CO[C@H](C)c1nc(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000177502896 823477934 /nfs/dbraw/zinc/47/79/34/823477934.db2.gz WTGQBEAJBJXZJQ-HRCADAONSA-N 1 1 375.538 4.072 20 0 GIADMO CO[C@H](C)c1nc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000177502907 823478306 /nfs/dbraw/zinc/47/83/06/823478306.db2.gz WTGQBEAJBJXZJQ-BZUAXINKSA-N 1 1 375.538 4.072 20 0 GIADMO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)on1 ZINC000410371374 823478462 /nfs/dbraw/zinc/47/84/62/823478462.db2.gz DJKAHTNNZNBPDW-NQIIRXRSSA-N 1 1 396.535 4.404 20 0 GIADMO C[C@](O)(C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)C(F)(F)F ZINC000410374539 823479652 /nfs/dbraw/zinc/47/96/52/823479652.db2.gz NDTPRSGDKGJERS-IBGZPJMESA-N 1 1 393.409 4.002 20 0 GIADMO C[C@](O)(C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)C(F)(F)F ZINC000410374539 823479657 /nfs/dbraw/zinc/47/96/57/823479657.db2.gz NDTPRSGDKGJERS-IBGZPJMESA-N 1 1 393.409 4.002 20 0 GIADMO CC(=O)c1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000410376164 823480644 /nfs/dbraw/zinc/48/06/44/823480644.db2.gz RYNXKAGFBOAQHY-QGZVFWFLSA-N 1 1 379.504 4.443 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(OC3CCCC3)CC2)cc1 ZINC000123223508 823480953 /nfs/dbraw/zinc/48/09/53/823480953.db2.gz MRLYSHQBTUVMIG-QGZVFWFLSA-N 1 1 396.535 4.375 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccn3C)cc2)C1 ZINC000410380659 823481751 /nfs/dbraw/zinc/48/17/51/823481751.db2.gz HRBPJFUETQAQGC-AUSIDOKSSA-N 1 1 394.563 4.304 20 0 GIADMO Cc1cccc([C@@H](CNc2ncnc3cc(Cl)ccc32)[NH+]2CCOCC2)c1 ZINC000029626727 820487618 /nfs/dbraw/zinc/48/76/18/820487618.db2.gz IUYXUACCDZBYJI-HXUWFJFHSA-N 1 1 382.895 4.077 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc(NC(=O)C2CC2)cc1 ZINC000029634709 820488813 /nfs/dbraw/zinc/48/88/13/820488813.db2.gz GURNFJWOMIYUNI-UHFFFAOYSA-N 1 1 398.532 4.120 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cccc(NC(=O)C2CC2)c1 ZINC000029634955 820488868 /nfs/dbraw/zinc/48/88/68/820488868.db2.gz FUJYACHWGCBAHE-UHFFFAOYSA-N 1 1 398.532 4.120 20 0 GIADMO Cc1cc(Cl)ccc1OCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029636058 820489694 /nfs/dbraw/zinc/48/96/94/820489694.db2.gz LDFAWGGJCBIPSE-UHFFFAOYSA-N 1 1 393.940 4.498 20 0 GIADMO C[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029702437 820500808 /nfs/dbraw/zinc/50/08/08/820500808.db2.gz UVKOLZMZAVJXNH-AWEZNQCLSA-N 1 1 382.876 4.071 20 0 GIADMO C[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029702437 820500813 /nfs/dbraw/zinc/50/08/13/820500813.db2.gz UVKOLZMZAVJXNH-AWEZNQCLSA-N 1 1 382.876 4.071 20 0 GIADMO C[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029702432 820500843 /nfs/dbraw/zinc/50/08/43/820500843.db2.gz UVKOLZMZAVJXNH-CQSZACIVSA-N 1 1 382.876 4.071 20 0 GIADMO C[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029702432 820500852 /nfs/dbraw/zinc/50/08/52/820500852.db2.gz UVKOLZMZAVJXNH-CQSZACIVSA-N 1 1 382.876 4.071 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000573360240 823484305 /nfs/dbraw/zinc/48/43/05/823484305.db2.gz HDNGAWYKBMBRGE-KRWDZBQOSA-N 1 1 381.432 4.057 20 0 GIADMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000573360240 823484311 /nfs/dbraw/zinc/48/43/11/823484311.db2.gz HDNGAWYKBMBRGE-KRWDZBQOSA-N 1 1 381.432 4.057 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCNc2ccccc2)cc1 ZINC000123251544 823485217 /nfs/dbraw/zinc/48/52/17/823485217.db2.gz QSWJZYSJUVLZAJ-QGZVFWFLSA-N 1 1 377.492 4.043 20 0 GIADMO CC[C@H](CNC(=O)c1csc(Br)c1)[N@H+]1CCc2ccccc2C1 ZINC000029912799 820546626 /nfs/dbraw/zinc/54/66/26/820546626.db2.gz OVSVQNCYLZPJNN-MRXNPFEDSA-N 1 1 393.350 4.077 20 0 GIADMO CC[C@@H](CNC(=O)c1cc2ccc(F)cc2nc1C)[N@H+]1CCc2ccccc2C1 ZINC000029911717 820546896 /nfs/dbraw/zinc/54/68/96/820546896.db2.gz XNIGTCMSKDMZMF-NRFANRHFSA-N 1 1 391.490 4.249 20 0 GIADMO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000189751730 823487873 /nfs/dbraw/zinc/48/78/73/823487873.db2.gz UCRJDMIFRWXIBB-ROUUACIJSA-N 1 1 387.572 4.363 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2C)C1 ZINC000177546913 823487895 /nfs/dbraw/zinc/48/78/95/823487895.db2.gz UNJKBVAPCWZPBI-OAHLLOKOSA-N 1 1 387.446 4.132 20 0 GIADMO COc1c(C)ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000029924625 820549372 /nfs/dbraw/zinc/54/93/72/820549372.db2.gz YNLDAMOWIZNSLE-IAGOWNOFSA-N 1 1 382.504 4.174 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000029929253 820550237 /nfs/dbraw/zinc/55/02/37/820550237.db2.gz YWUWUGHCXUNNHH-UHFFFAOYSA-N 1 1 386.565 4.323 20 0 GIADMO Cc1nc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc(Br)c2)cs1 ZINC000189754645 823488623 /nfs/dbraw/zinc/48/86/23/823488623.db2.gz GSDUIKLCPBBRFF-MRXNPFEDSA-N 1 1 394.338 4.380 20 0 GIADMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1-n1cccc1 ZINC000029985691 820561279 /nfs/dbraw/zinc/56/12/79/820561279.db2.gz CSELFDFLMDHQCR-UHFFFAOYSA-N 1 1 398.510 4.006 20 0 GIADMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1-n1cccc1 ZINC000029985691 820561284 /nfs/dbraw/zinc/56/12/84/820561284.db2.gz CSELFDFLMDHQCR-UHFFFAOYSA-N 1 1 398.510 4.006 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)[C@H](c2ccccc2)C1 ZINC000029992247 820563208 /nfs/dbraw/zinc/56/32/08/820563208.db2.gz DCPKMMRNSBNDFB-IBGZPJMESA-N 1 1 398.304 4.059 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)[C@H](c2ccccc2)C1 ZINC000029992247 820563215 /nfs/dbraw/zinc/56/32/15/820563215.db2.gz DCPKMMRNSBNDFB-IBGZPJMESA-N 1 1 398.304 4.059 20 0 GIADMO Cc1c(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000030007408 820567609 /nfs/dbraw/zinc/56/76/09/820567609.db2.gz OMCOLEDRHYYODM-INIZCTEOSA-N 1 1 382.464 4.333 20 0 GIADMO CCc1cccc(CC)c1NC(=O)CN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000030153662 820580413 /nfs/dbraw/zinc/58/04/13/820580413.db2.gz XXIXYGGQBTUMMM-UHFFFAOYSA-N 1 1 393.575 4.266 20 0 GIADMO CSc1ccc2cc(C[NH+]3CCC(NC(=O)C4CC4)CC3)c(Cl)nc2c1 ZINC000030281854 820595028 /nfs/dbraw/zinc/59/50/28/820595028.db2.gz IHMSVYAEHNVRHV-UHFFFAOYSA-N 1 1 389.952 4.101 20 0 GIADMO COc1ccccc1OCC[N@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000059393342 823495010 /nfs/dbraw/zinc/49/50/10/823495010.db2.gz FPSIHSUKHHPCRF-GOSISDBHSA-N 1 1 392.499 4.036 20 0 GIADMO COc1ccccc1OCC[N@@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000059393342 823495011 /nfs/dbraw/zinc/49/50/11/823495011.db2.gz FPSIHSUKHHPCRF-GOSISDBHSA-N 1 1 392.499 4.036 20 0 GIADMO CCc1c(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cnn1C(CC)CC ZINC000573420092 823491616 /nfs/dbraw/zinc/49/16/16/823491616.db2.gz MFKJGFBTYCFFPS-NRFANRHFSA-N 1 1 383.540 4.327 20 0 GIADMO CCc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cnn1C(CC)CC ZINC000573420092 823491617 /nfs/dbraw/zinc/49/16/17/823491617.db2.gz MFKJGFBTYCFFPS-NRFANRHFSA-N 1 1 383.540 4.327 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCCF)c1 ZINC000123296371 823492434 /nfs/dbraw/zinc/49/24/34/823492434.db2.gz QPTZPIULHCWDJB-LJQANCHMSA-N 1 1 385.483 4.021 20 0 GIADMO COC[C@@H]([NH2+]CC1=Cc2cc(Br)ccc2OC1)c1ccc(C)o1 ZINC000177566221 823492522 /nfs/dbraw/zinc/49/25/22/823492522.db2.gz NMSWUALFBUVTRG-MRXNPFEDSA-N 1 1 378.266 4.104 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000189778075 823492628 /nfs/dbraw/zinc/49/26/28/823492628.db2.gz REJRAGAXCBSMIA-UYAOXDASSA-N 1 1 376.460 4.217 20 0 GIADMO C[C@H]1C[N@@H+](CCCCC2CCOCC2)CCN1CCCCC1CCOCC1 ZINC000410422103 823492748 /nfs/dbraw/zinc/49/27/48/823492748.db2.gz VHLZGSWRDMYLJR-NRFANRHFSA-N 1 1 380.617 4.186 20 0 GIADMO C[C@H]1CN(CCCCC2CCOCC2)CC[N@@H+]1CCCCC1CCOCC1 ZINC000410422103 823492752 /nfs/dbraw/zinc/49/27/52/823492752.db2.gz VHLZGSWRDMYLJR-NRFANRHFSA-N 1 1 380.617 4.186 20 0 GIADMO C[C@H]1CN(CCCCC2CCOCC2)CC[N@H+]1CCCCC1CCOCC1 ZINC000410422103 823492756 /nfs/dbraw/zinc/49/27/56/823492756.db2.gz VHLZGSWRDMYLJR-NRFANRHFSA-N 1 1 380.617 4.186 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC(C)(C)OC(C)(C)C2)c1 ZINC000189779958 823493123 /nfs/dbraw/zinc/49/31/23/823493123.db2.gz LQSGMVAIXFXQAS-UHFFFAOYSA-N 1 1 384.524 4.476 20 0 GIADMO COc1cccc([C@H](C)CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000177580043 823495801 /nfs/dbraw/zinc/49/58/01/823495801.db2.gz OVQAPBDRTIVQHY-GOSISDBHSA-N 1 1 384.495 4.062 20 0 GIADMO COc1cccc([C@H](C)CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000177580043 823495806 /nfs/dbraw/zinc/49/58/06/823495806.db2.gz OVQAPBDRTIVQHY-GOSISDBHSA-N 1 1 384.495 4.062 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000059411706 823495881 /nfs/dbraw/zinc/49/58/81/823495881.db2.gz XMVKTSHGWIMKQX-UYAOXDASSA-N 1 1 391.515 4.053 20 0 GIADMO CCC(CC)[C@H](CNCc1cn(-c2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC000030667818 820662151 /nfs/dbraw/zinc/66/21/51/820662151.db2.gz ZBFFDYLUUITMQA-QHCPKHFHSA-N 1 1 391.563 4.390 20 0 GIADMO CSCC[C@@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000177609723 823500305 /nfs/dbraw/zinc/50/03/05/823500305.db2.gz MGBZUAJJFLUZEW-OAHLLOKOSA-N 1 1 377.579 4.206 20 0 GIADMO CSCC[C@@H](C)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000177609723 823500311 /nfs/dbraw/zinc/50/03/11/823500311.db2.gz MGBZUAJJFLUZEW-OAHLLOKOSA-N 1 1 377.579 4.206 20 0 GIADMO CCOc1ncccc1C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000030901475 820705198 /nfs/dbraw/zinc/70/51/98/820705198.db2.gz LHRUMRWUVMWHMP-UHFFFAOYSA-N 1 1 391.471 4.031 20 0 GIADMO COc1cc2c(cc1C[NH2+]Cc1ccnc(Oc3ccccc3)c1)O[C@@H](C)C2 ZINC000030901786 820705390 /nfs/dbraw/zinc/70/53/90/820705390.db2.gz KPRJNISBKXVBKN-INIZCTEOSA-N 1 1 376.456 4.496 20 0 GIADMO CCCC[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H](C)c1ccccc1 ZINC000123341649 823498989 /nfs/dbraw/zinc/49/89/89/823498989.db2.gz DBRFBYMZDRTZQA-OAHLLOKOSA-N 1 1 395.532 4.006 20 0 GIADMO CCCC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H](C)c1ccccc1 ZINC000123341649 823498992 /nfs/dbraw/zinc/49/89/92/823498992.db2.gz DBRFBYMZDRTZQA-OAHLLOKOSA-N 1 1 395.532 4.006 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000460733353 823499041 /nfs/dbraw/zinc/49/90/41/823499041.db2.gz ZEBXMLAXHNRHRR-BGYRXZFFSA-N 1 1 395.547 4.149 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3scnc3C(F)(F)F)c2)C[C@@H](C)O1 ZINC000410497223 823499682 /nfs/dbraw/zinc/49/96/82/823499682.db2.gz DMWGWVMZRJWHSG-VXGBXAGGSA-N 1 1 399.438 4.023 20 0 GIADMO Cc1cccc2nc(C3CC[NH+](CC(=O)N[C@@H](C)c4ccccc4)CC3)oc21 ZINC000189813214 823500097 /nfs/dbraw/zinc/50/00/97/823500097.db2.gz YDMLEFSSCSIERQ-KRWDZBQOSA-N 1 1 377.488 4.193 20 0 GIADMO COc1ccc2[nH]c(C(=O)Nc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2c1 ZINC000189839106 823504541 /nfs/dbraw/zinc/50/45/41/823504541.db2.gz BDMXSCFOKUWSHT-HZPDHXFCSA-N 1 1 393.487 4.038 20 0 GIADMO CC[C@H](NC(=O)c1c(C)cccc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000410573062 823505061 /nfs/dbraw/zinc/50/50/61/823505061.db2.gz JVSXJFJKOQKTEZ-PMACEKPBSA-N 1 1 386.923 4.058 20 0 GIADMO CC[C@H](NC(=O)c1c(C)cccc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000410573062 823505066 /nfs/dbraw/zinc/50/50/66/823505066.db2.gz JVSXJFJKOQKTEZ-PMACEKPBSA-N 1 1 386.923 4.058 20 0 GIADMO CC[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1c(C)noc1C ZINC000123354737 823500877 /nfs/dbraw/zinc/50/08/77/823500877.db2.gz WQQPMOWGINSEPU-IBGZPJMESA-N 1 1 384.524 4.049 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3c[nH]c(=O)c4ccccc34)cc2)C1 ZINC000189816284 823501003 /nfs/dbraw/zinc/50/10/03/823501003.db2.gz BNOBLZSPOPKOEP-INIZCTEOSA-N 1 1 375.472 4.012 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000123361161 823501257 /nfs/dbraw/zinc/50/12/57/823501257.db2.gz GSCTXCMUCGDHHD-NVXWUHKLSA-N 1 1 396.959 4.472 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)CSCc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000124077592 823565629 /nfs/dbraw/zinc/56/56/29/823565629.db2.gz OJZQOJXBBFAWJP-WFASDCNBSA-N 1 1 375.365 4.168 20 0 GIADMO COc1ccccc1-c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CC(C)C ZINC000460742739 823502039 /nfs/dbraw/zinc/50/20/39/823502039.db2.gz QRHKHNRFSXPDMW-UHFFFAOYSA-N 1 1 397.567 4.064 20 0 GIADMO COc1ccc(-c2cc(NC(=O)C[N@@H+](C)C(C)C)ccc2OC(F)F)cc1 ZINC000060063645 823506584 /nfs/dbraw/zinc/50/65/84/823506584.db2.gz XPNZLSMPJQDBQN-UHFFFAOYSA-N 1 1 378.419 4.242 20 0 GIADMO COc1ccc([C@H]([NH2+]CC(=O)NC2CCC(C)CC2)c2ccc(C)cc2)cc1 ZINC000060089299 823507289 /nfs/dbraw/zinc/50/72/89/823507289.db2.gz TYUUJLXRLQHAHT-SXKUEDQZSA-N 1 1 380.532 4.378 20 0 GIADMO C[C@H](NC(=O)N1CCc2cc(Cl)ccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189867047 823508061 /nfs/dbraw/zinc/50/80/61/823508061.db2.gz YEXIPXJGOQYNLB-DOTOQJQBSA-N 1 1 375.944 4.061 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2OCc2ccc(F)cc2)C1 ZINC000060207391 823511970 /nfs/dbraw/zinc/51/19/70/823511970.db2.gz CENBVRBPZWCBSF-LJQANCHMSA-N 1 1 384.495 4.255 20 0 GIADMO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000060220421 823512481 /nfs/dbraw/zinc/51/24/81/823512481.db2.gz DKURLMIZKGVXPL-HNNXBMFYSA-N 1 1 390.936 4.295 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC[N@H+]1C ZINC000123437055 823508914 /nfs/dbraw/zinc/50/89/14/823508914.db2.gz XARCFKSANHGSTQ-WMZOPIPTSA-N 1 1 394.544 4.156 20 0 GIADMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)nc1 ZINC000177659746 823509389 /nfs/dbraw/zinc/50/93/89/823509389.db2.gz DTPVTYWNLMOLHD-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000123453745 823510469 /nfs/dbraw/zinc/51/04/69/823510469.db2.gz UOTJVILAWZDVRJ-HRAATJIYSA-N 1 1 380.467 4.056 20 0 GIADMO CN(Cc1ccccc1Cl)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244841 823513447 /nfs/dbraw/zinc/51/34/47/823513447.db2.gz WSXKMSQWKLXUOF-INIZCTEOSA-N 1 1 391.968 4.455 20 0 GIADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)C1 ZINC000177685612 823513615 /nfs/dbraw/zinc/51/36/15/823513615.db2.gz NNIBGFJWUWACNS-CQSZACIVSA-N 1 1 397.332 4.059 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000177727909 823517752 /nfs/dbraw/zinc/51/77/52/823517752.db2.gz XIBRQDUFCIQMEG-MSOLQXFVSA-N 1 1 398.532 4.091 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000177688894 823513724 /nfs/dbraw/zinc/51/37/24/823513724.db2.gz HQFOIJWVBORXNV-UHFFFAOYSA-N 1 1 385.321 4.059 20 0 GIADMO COC(=O)[C@](C)(C[NH2+][C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1)c1ccccc1 ZINC000189940509 823516069 /nfs/dbraw/zinc/51/60/69/823516069.db2.gz NVJPAYITDFFNHX-UZUQRXQVSA-N 1 1 393.487 4.135 20 0 GIADMO COc1cc(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)cc(OC)c1 ZINC000123522344 823516970 /nfs/dbraw/zinc/51/69/70/823516970.db2.gz LCVMKMLKVHTFSL-UHFFFAOYSA-N 1 1 397.519 4.049 20 0 GIADMO CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccccc1 ZINC000032510530 820962916 /nfs/dbraw/zinc/96/29/16/820962916.db2.gz HMINEBVGVQFWTI-IBGZPJMESA-N 1 1 377.444 4.072 20 0 GIADMO CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccccc1 ZINC000032510530 820962922 /nfs/dbraw/zinc/96/29/22/820962922.db2.gz HMINEBVGVQFWTI-IBGZPJMESA-N 1 1 377.444 4.072 20 0 GIADMO COc1ccc(CNc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)cc1F ZINC000123533084 823518492 /nfs/dbraw/zinc/51/84/92/823518492.db2.gz KULGNXDSOPDBCI-UHFFFAOYSA-N 1 1 385.483 4.179 20 0 GIADMO Fc1ccc(-c2nc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)co2)cc1F ZINC000123535681 823518698 /nfs/dbraw/zinc/51/86/98/823518698.db2.gz XORYQUFACBFEBM-CVEARBPZSA-N 1 1 380.460 4.106 20 0 GIADMO Fc1ccc(-c2nc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)co2)cc1F ZINC000123535681 823518699 /nfs/dbraw/zinc/51/86/99/823518699.db2.gz XORYQUFACBFEBM-CVEARBPZSA-N 1 1 380.460 4.106 20 0 GIADMO O=C(CCc1cc(F)ccc1F)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355318 823519041 /nfs/dbraw/zinc/51/90/41/823519041.db2.gz JSAVBHRWZRHNCH-UHFFFAOYSA-N 1 1 386.486 4.065 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1ccccc1Cc1ccccc1)[NH+](C)C ZINC000032695193 820992650 /nfs/dbraw/zinc/99/26/50/820992650.db2.gz CHGBGZJWTFIDSP-QHCPKHFHSA-N 1 1 388.511 4.319 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1sccc1-c1ccccc1)[NH+](C)C ZINC000032694534 820992747 /nfs/dbraw/zinc/99/27/47/820992747.db2.gz JRGBLJUTZSESKX-LJQANCHMSA-N 1 1 380.513 4.456 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)[N@H+]1CCCC[C@H]1C ZINC000032733695 821000528 /nfs/dbraw/zinc/00/05/28/821000528.db2.gz UCKMPXNRFCBPJL-CVEARBPZSA-N 1 1 375.513 4.026 20 0 GIADMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc(C)c1OCc1cccnc1 ZINC000032737663 821001957 /nfs/dbraw/zinc/00/19/57/821001957.db2.gz YGVRYOTUYJBIHH-PMACEKPBSA-N 1 1 395.547 4.270 20 0 GIADMO CCOC(=O)[C@](C)(C[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1)c1ccccc1 ZINC000189980940 823521098 /nfs/dbraw/zinc/52/10/98/823521098.db2.gz XBGJCWAZBZAGQP-GAJHUEQPSA-N 1 1 393.487 4.217 20 0 GIADMO O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000032775904 821006826 /nfs/dbraw/zinc/00/68/26/821006826.db2.gz COANUXCMIGGJOV-CVDCTZTESA-N 1 1 381.472 4.330 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000060394877 823523403 /nfs/dbraw/zinc/52/34/03/823523403.db2.gz MLQQBTHORKOFFE-UHFFFAOYSA-N 1 1 384.564 4.107 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)CCCc3ncc(-c4ccccc4)o3)sc2C1 ZINC000033245104 821054756 /nfs/dbraw/zinc/05/47/56/821054756.db2.gz WRWSLZGWLXQXQO-UHFFFAOYSA-N 1 1 396.516 4.138 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)CCCc3ncc(-c4ccccc4)o3)sc2C1 ZINC000033245104 821054762 /nfs/dbraw/zinc/05/47/62/821054762.db2.gz WRWSLZGWLXQXQO-UHFFFAOYSA-N 1 1 396.516 4.138 20 0 GIADMO Clc1ccc(-c2cnc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)o2)cc1 ZINC000123638829 823528317 /nfs/dbraw/zinc/52/83/17/823528317.db2.gz RZAAPQJDWHARMR-SJORKVTESA-N 1 1 378.925 4.482 20 0 GIADMO Clc1ccc(-c2cnc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)o2)cc1 ZINC000123638829 823528318 /nfs/dbraw/zinc/52/83/18/823528318.db2.gz RZAAPQJDWHARMR-SJORKVTESA-N 1 1 378.925 4.482 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)cc1)c1ccccc1Cl ZINC000036075083 821068421 /nfs/dbraw/zinc/06/84/21/821068421.db2.gz RYPKIWWXTNSCJJ-QGZVFWFLSA-N 1 1 395.728 4.064 20 0 GIADMO CC[N@H+]1CCCN(c2nnc(CSc3ccc(C)cc3)n2CC(C)C)CC1 ZINC000460856086 823529528 /nfs/dbraw/zinc/52/95/28/823529528.db2.gz JUJBJRYEBXRGOG-UHFFFAOYSA-N 1 1 387.597 4.067 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3=Cc4ccccc4OC3)cc2)C1 ZINC000060414196 823525016 /nfs/dbraw/zinc/52/50/16/823525016.db2.gz QYXKRMSSCCKLMC-GOSISDBHSA-N 1 1 376.500 4.011 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000123659635 823529626 /nfs/dbraw/zinc/52/96/26/823529626.db2.gz XMCQGDSORBUIJH-GOSISDBHSA-N 1 1 378.467 4.289 20 0 GIADMO FC(F)(F)c1ccc2oc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)nc2c1 ZINC000123603872 823525224 /nfs/dbraw/zinc/52/52/24/823525224.db2.gz IKCFHEPPEBDUDW-ZIAGYGMSSA-N 1 1 386.439 4.333 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCC(=O)c2ccc(F)cc2)cc1 ZINC000060425930 823525773 /nfs/dbraw/zinc/52/57/73/823525773.db2.gz UKWATAMZVOXFBX-GOSISDBHSA-N 1 1 396.506 4.479 20 0 GIADMO Cn1ccc2cccc(NC(=O)NC[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)c21 ZINC000190050003 823530681 /nfs/dbraw/zinc/53/06/81/823530681.db2.gz KCEXORIWYSSCGF-JXFKEZNVSA-N 1 1 382.533 4.444 20 0 GIADMO O=C(NCc1coc(-c2cccs2)n1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000123679136 823531041 /nfs/dbraw/zinc/53/10/41/823531041.db2.gz SGOXNMULUSHPEX-MRXNPFEDSA-N 1 1 399.491 4.071 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC(F)F)cc1 ZINC000060464078 823531085 /nfs/dbraw/zinc/53/10/85/823531085.db2.gz YJNSCKCXHOTLSX-UHFFFAOYSA-N 1 1 378.419 4.147 20 0 GIADMO COc1ccccc1-c1nc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cs1 ZINC000060469907 823531744 /nfs/dbraw/zinc/53/17/44/823531744.db2.gz VIEXHMYFPSHYNX-HNNXBMFYSA-N 1 1 387.549 4.059 20 0 GIADMO Cc1ccccc1Nc1nc2sc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2s1 ZINC000060470593 823531812 /nfs/dbraw/zinc/53/18/12/823531812.db2.gz AEIOHWCNJSDRJJ-CYBMUJFWSA-N 1 1 398.557 4.376 20 0 GIADMO Cc1ccccc1Nc1nc2sc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2s1 ZINC000060470593 823531816 /nfs/dbraw/zinc/53/18/16/823531816.db2.gz AEIOHWCNJSDRJJ-CYBMUJFWSA-N 1 1 398.557 4.376 20 0 GIADMO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483464 823533229 /nfs/dbraw/zinc/53/32/29/823533229.db2.gz IXSSADZJLSJXEU-INIZCTEOSA-N 1 1 396.918 4.213 20 0 GIADMO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483418 823533234 /nfs/dbraw/zinc/53/32/34/823533234.db2.gz NNOUDWDPTYUPHT-OAHLLOKOSA-N 1 1 376.928 4.072 20 0 GIADMO Cn1ccc2cccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c21 ZINC000190086363 823535830 /nfs/dbraw/zinc/53/58/30/823535830.db2.gz NJLRJLZRRJKNKZ-SEJPIABJSA-N 1 1 388.515 4.495 20 0 GIADMO CCN(C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000460889573 823536616 /nfs/dbraw/zinc/53/66/16/823536616.db2.gz NORAKBPIIDOAFP-RTWAWAEBSA-N 1 1 389.584 4.132 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ncc(Cc3cccc(F)c3)s2)[C@H](C)C1 ZINC000177858574 823537357 /nfs/dbraw/zinc/53/73/57/823537357.db2.gz HXBLTKAEKGCEQM-RDTXWAMCSA-N 1 1 390.528 4.067 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460898133 823537832 /nfs/dbraw/zinc/53/78/32/823537832.db2.gz HKJQOGGDWWZBJG-UHFFFAOYSA-N 1 1 379.426 4.229 20 0 GIADMO COc1ccccc1OCCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000060548077 823541026 /nfs/dbraw/zinc/54/10/26/823541026.db2.gz VFTACRYZJPLZRA-GOSISDBHSA-N 1 1 382.504 4.335 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000060549391 823541051 /nfs/dbraw/zinc/54/10/51/823541051.db2.gz HJXMOWWAJZBVRS-UHFFFAOYSA-N 1 1 383.517 4.482 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)NCc2ccccc2OCc2ccccc2)CC1 ZINC000060548343 823541089 /nfs/dbraw/zinc/54/10/89/823541089.db2.gz RIGXXTXVRWONFQ-UHFFFAOYSA-N 1 1 395.547 4.281 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1 ZINC000123790668 823541104 /nfs/dbraw/zinc/54/11/04/823541104.db2.gz LXFPNPMKQURTLV-UHFFFAOYSA-N 1 1 387.443 4.110 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](CC(C)C)c2cc(Cl)ccc2OC)C1 ZINC000177880519 823540347 /nfs/dbraw/zinc/54/03/47/823540347.db2.gz HBWQSZYBHAPPAX-APWZRJJASA-N 1 1 395.975 4.419 20 0 GIADMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132488 821271752 /nfs/dbraw/zinc/27/17/52/821271752.db2.gz RDJDMGRLLXWKFP-AEFFLSMTSA-N 1 1 395.478 4.366 20 0 GIADMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042132467 821272086 /nfs/dbraw/zinc/27/20/86/821272086.db2.gz LXHRLKAGQJHERQ-WBVHZDCISA-N 1 1 397.906 4.366 20 0 GIADMO Cc1cc(F)ccc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123785932 823540696 /nfs/dbraw/zinc/54/06/96/823540696.db2.gz KKGPOKVFUVETKZ-AUUYWEPGSA-N 1 1 378.850 4.349 20 0 GIADMO COc1cc(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2Cl)ccn1 ZINC000042208400 821284371 /nfs/dbraw/zinc/28/43/71/821284371.db2.gz JPJOJBMYMAYJRF-UHFFFAOYSA-N 1 1 391.302 4.240 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000042299924 821296888 /nfs/dbraw/zinc/29/68/88/821296888.db2.gz CRCGHILMPSVFGA-IBGZPJMESA-N 1 1 376.504 4.257 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000042299924 821296893 /nfs/dbraw/zinc/29/68/93/821296893.db2.gz CRCGHILMPSVFGA-IBGZPJMESA-N 1 1 376.504 4.257 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000042299930 821297001 /nfs/dbraw/zinc/29/70/01/821297001.db2.gz CRCGHILMPSVFGA-LJQANCHMSA-N 1 1 376.504 4.257 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC000042299930 821297010 /nfs/dbraw/zinc/29/70/10/821297010.db2.gz CRCGHILMPSVFGA-LJQANCHMSA-N 1 1 376.504 4.257 20 0 GIADMO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000042573909 821312474 /nfs/dbraw/zinc/31/24/74/821312474.db2.gz SAZFTTVJHXBNMY-MOPGFXCFSA-N 1 1 378.516 4.156 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)CC1 ZINC000060551930 823541519 /nfs/dbraw/zinc/54/15/19/823541519.db2.gz DNZBZSXGWGHAPA-UHFFFAOYSA-N 1 1 397.588 4.253 20 0 GIADMO CC(C)[C@H](NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000042635003 821316508 /nfs/dbraw/zinc/31/65/08/821316508.db2.gz RGUCXRLOFMOWRB-BJKOFHAPSA-N 1 1 398.522 4.085 20 0 GIADMO COc1cccc(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000043065497 821357756 /nfs/dbraw/zinc/35/77/56/821357756.db2.gz PRBSUMGOTQUDEA-UHFFFAOYSA-N 1 1 378.476 4.385 20 0 GIADMO Cc1nc(-c2c[nH]c(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)c2)cs1 ZINC000043086564 821359289 /nfs/dbraw/zinc/35/92/89/821359289.db2.gz QOQCBOBKZDFQHS-UHFFFAOYSA-N 1 1 382.533 4.217 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000180624965 821373176 /nfs/dbraw/zinc/37/31/76/821373176.db2.gz AFNBFNHGTIETIH-AWEZNQCLSA-N 1 1 387.434 4.172 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000180624965 821373185 /nfs/dbraw/zinc/37/31/85/821373185.db2.gz AFNBFNHGTIETIH-AWEZNQCLSA-N 1 1 387.434 4.172 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000043173027 821373661 /nfs/dbraw/zinc/37/36/61/821373661.db2.gz GOBZAAVAJUOFML-UHFFFAOYSA-N 1 1 387.911 4.397 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180629503 821375122 /nfs/dbraw/zinc/37/51/22/821375122.db2.gz SVPGZJBGRDXZFF-HOTGVXAUSA-N 1 1 389.931 4.027 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180629503 821375127 /nfs/dbraw/zinc/37/51/27/821375127.db2.gz SVPGZJBGRDXZFF-HOTGVXAUSA-N 1 1 389.931 4.027 20 0 GIADMO CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCO1 ZINC000180631086 821375737 /nfs/dbraw/zinc/37/57/37/821375737.db2.gz SMOVABGXQXXTGO-FGZHOGPDSA-N 1 1 389.584 4.310 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000180647639 821381655 /nfs/dbraw/zinc/38/16/55/821381655.db2.gz QEOFUERTAUDDJF-UZLBHIALSA-N 1 1 385.508 4.233 20 0 GIADMO NC(=O)COc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)c1 ZINC000180649774 821382758 /nfs/dbraw/zinc/38/27/58/821382758.db2.gz UAYKMXJDXFAWML-QFIPXVFZSA-N 1 1 398.865 4.222 20 0 GIADMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000180652384 821383227 /nfs/dbraw/zinc/38/32/27/821383227.db2.gz XLGGTNSVHCYFEO-OFNKIYASSA-N 1 1 391.515 4.041 20 0 GIADMO CC[C@@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1ccc(F)cc1F ZINC000180653696 821383914 /nfs/dbraw/zinc/38/39/14/821383914.db2.gz JBKOKYQPCFYSMS-GOSISDBHSA-N 1 1 397.462 4.058 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000180655978 821384884 /nfs/dbraw/zinc/38/48/84/821384884.db2.gz RQIMCTUJBIYDIE-UZLBHIALSA-N 1 1 385.895 4.279 20 0 GIADMO CC[C@H](CSC)[N@@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000180677679 821392246 /nfs/dbraw/zinc/39/22/46/821392246.db2.gz UARWBHHAKLVKHM-MRXNPFEDSA-N 1 1 391.562 4.012 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)CC[C@@H]21 ZINC000180708918 821409403 /nfs/dbraw/zinc/40/94/03/821409403.db2.gz BANDRIZGBKKGDZ-NZSAHSFTSA-N 1 1 395.469 4.282 20 0 GIADMO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccccc1Br ZINC000180739318 821427087 /nfs/dbraw/zinc/42/70/87/821427087.db2.gz IGHJQGMSIXOTNN-INIZCTEOSA-N 1 1 381.358 4.135 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000043565349 821427626 /nfs/dbraw/zinc/42/76/26/821427626.db2.gz BVXGTUOFTXLXMM-KRWDZBQOSA-N 1 1 385.533 4.258 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749112 821432178 /nfs/dbraw/zinc/43/21/78/821432178.db2.gz OUNUUUKTEDDLEK-FPOVZHCZSA-N 1 1 396.934 4.326 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749112 821432185 /nfs/dbraw/zinc/43/21/85/821432185.db2.gz OUNUUUKTEDDLEK-FPOVZHCZSA-N 1 1 396.934 4.326 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000043651887 821436672 /nfs/dbraw/zinc/43/66/72/821436672.db2.gz MKPBXWULLCAFLA-QGZVFWFLSA-N 1 1 394.519 4.199 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000043654302 821436729 /nfs/dbraw/zinc/43/67/29/821436729.db2.gz QSBCWHYKLFDLMC-QGZVFWFLSA-N 1 1 394.519 4.199 20 0 GIADMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OC)c1OC(F)F)CCO2 ZINC000180769268 821444667 /nfs/dbraw/zinc/44/46/67/821444667.db2.gz PHNQHBBKRHUAPH-INIZCTEOSA-N 1 1 379.403 4.309 20 0 GIADMO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000180776550 821449732 /nfs/dbraw/zinc/44/97/32/821449732.db2.gz IWBUCMPQPRMCRY-IBGZPJMESA-N 1 1 378.394 4.237 20 0 GIADMO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000180776550 821449738 /nfs/dbraw/zinc/44/97/38/821449738.db2.gz IWBUCMPQPRMCRY-IBGZPJMESA-N 1 1 378.394 4.237 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc4cccnc43)cc2)C[C@H](C)O1 ZINC000043781346 821457265 /nfs/dbraw/zinc/45/72/65/821457265.db2.gz GMSRUZZSVTUUOO-IRXDYDNUSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1noc(-c2ccccc2)n1 ZINC000180834323 821486522 /nfs/dbraw/zinc/48/65/22/821486522.db2.gz NKKASWXOXIRHRB-CCNLRDMRSA-N 1 1 398.507 4.318 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180854031 821496928 /nfs/dbraw/zinc/49/69/28/821496928.db2.gz PCXQPHHEGBOTBJ-SJORKVTESA-N 1 1 395.551 4.117 20 0 GIADMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180854031 821496937 /nfs/dbraw/zinc/49/69/37/821496937.db2.gz PCXQPHHEGBOTBJ-SJORKVTESA-N 1 1 395.551 4.117 20 0 GIADMO C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180855660 821497555 /nfs/dbraw/zinc/49/75/55/821497555.db2.gz GUZFJLUXQCWWEY-ZFWWWQNUSA-N 1 1 375.314 4.316 20 0 GIADMO COc1ccc([C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)c2ccccc2)cc1 ZINC000180879759 821509837 /nfs/dbraw/zinc/50/98/37/821509837.db2.gz RZYZSGOOQXPZQK-DEOSSOPVSA-N 1 1 394.559 4.409 20 0 GIADMO COC(=O)COc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000180909824 821531183 /nfs/dbraw/zinc/53/11/83/821531183.db2.gz OTDAWORYXQHGHY-HNNXBMFYSA-N 1 1 382.485 4.213 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000180922820 821539926 /nfs/dbraw/zinc/53/99/26/821539926.db2.gz QJDZGFOJIFWQQK-PXNSSMCTSA-N 1 1 383.540 4.155 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)C1 ZINC000180975577 821567836 /nfs/dbraw/zinc/56/78/36/821567836.db2.gz VVXFEYNAKUBOCR-INIZCTEOSA-N 1 1 394.510 4.151 20 0 GIADMO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(Oc2ccccc2)o1 ZINC000180988676 821577244 /nfs/dbraw/zinc/57/72/44/821577244.db2.gz OXBONKYIXREFQL-OAQYLSRUSA-N 1 1 392.499 4.318 20 0 GIADMO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000180995407 821582340 /nfs/dbraw/zinc/58/23/40/821582340.db2.gz IUELRIQOJSWDPN-SFHVURJKSA-N 1 1 398.453 4.081 20 0 GIADMO c1sc(CC[NH2+]C2CCN(CCc3ccccc3)CC2)nc1-c1ccccn1 ZINC000181010932 821591609 /nfs/dbraw/zinc/59/16/09/821591609.db2.gz GXJABXSWXMHXBR-UHFFFAOYSA-N 1 1 392.572 4.044 20 0 GIADMO COC(=O)[C@@H](C)C[N@@H+](Cc1cc(-c2c(OC)ccc3ccccc32)no1)C1CC1 ZINC000181065037 821615766 /nfs/dbraw/zinc/61/57/66/821615766.db2.gz HKDAGIDYGUWKFV-HNNXBMFYSA-N 1 1 394.471 4.277 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1cc(F)ccc1F ZINC000181103818 821634336 /nfs/dbraw/zinc/63/43/36/821634336.db2.gz OBVSECAGYZYUPM-SJKOYZFVSA-N 1 1 383.460 4.179 20 0 GIADMO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccco1 ZINC000181105497 821635279 /nfs/dbraw/zinc/63/52/79/821635279.db2.gz LGOYVZTVTBRYNV-HNNXBMFYSA-N 1 1 391.422 4.298 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)on1 ZINC000181151875 821666319 /nfs/dbraw/zinc/66/63/19/821666319.db2.gz ZGVLMHIYRNHBTD-FPOVZHCZSA-N 1 1 396.512 4.210 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000044831113 821669336 /nfs/dbraw/zinc/66/93/36/821669336.db2.gz QUDPHKCBUXXBDX-UWJYYQICSA-N 1 1 379.504 4.036 20 0 GIADMO COc1ccc2oc(C)c(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)c2c1 ZINC000044853113 821672971 /nfs/dbraw/zinc/67/29/71/821672971.db2.gz XKBANIKNVMGTIS-GOSISDBHSA-N 1 1 382.460 4.300 20 0 GIADMO CC(=O)N1CCC([NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000181165663 821674370 /nfs/dbraw/zinc/67/43/70/821674370.db2.gz IAUFGTHMVQHNRP-FQEVSTJZSA-N 1 1 378.850 4.308 20 0 GIADMO COc1ccc(-c2noc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1 ZINC000181226081 821705765 /nfs/dbraw/zinc/70/57/65/821705765.db2.gz YEAIKDRDAWLQHS-JXFKEZNVSA-N 1 1 379.460 4.003 20 0 GIADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cnc3ccccn23)cc1 ZINC000181234409 821711012 /nfs/dbraw/zinc/71/10/12/821711012.db2.gz WQQAFHCYJFCDLJ-UHFFFAOYSA-N 1 1 389.503 4.022 20 0 GIADMO O=c1cc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)nc2ccc(Cl)cn12 ZINC000181249654 821718127 /nfs/dbraw/zinc/71/81/27/821718127.db2.gz QVHAQYWGEIGWEN-UHFFFAOYSA-N 1 1 389.833 4.185 20 0 GIADMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181300937 821743368 /nfs/dbraw/zinc/74/33/68/821743368.db2.gz RQCLMSHBFJKFDE-SFHVURJKSA-N 1 1 384.487 4.103 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000181302626 821744745 /nfs/dbraw/zinc/74/47/45/821744745.db2.gz KTUOPLISRIVXNX-DGCLKSJQSA-N 1 1 379.430 4.361 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1cccc(N2CCOC2=O)c1 ZINC000181308307 821747118 /nfs/dbraw/zinc/74/71/18/821747118.db2.gz BDMAFYGFZJOERL-ZDUSSCGKSA-N 1 1 399.397 4.427 20 0 GIADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)c3cccnc3)[C@@H](c3ccco3)C2)cc1 ZINC000181340092 821771089 /nfs/dbraw/zinc/77/10/89/821771089.db2.gz WYIYBPQGNWLOOF-DYESRHJHSA-N 1 1 388.471 4.012 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1cccnc1 ZINC000181358433 821785354 /nfs/dbraw/zinc/78/53/54/821785354.db2.gz LORMTKGSYQCQAV-YOEHRIQHSA-N 1 1 396.541 4.233 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)co2)cc1 ZINC000181367506 821790941 /nfs/dbraw/zinc/79/09/41/821790941.db2.gz MWXZAAKHUNNEFM-MRXNPFEDSA-N 1 1 391.471 4.328 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)co2)cc1 ZINC000181367485 821790990 /nfs/dbraw/zinc/79/09/90/821790990.db2.gz MWXZAAKHUNNEFM-INIZCTEOSA-N 1 1 391.471 4.328 20 0 GIADMO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1OC(F)F ZINC000181391932 821802444 /nfs/dbraw/zinc/80/24/44/821802444.db2.gz DEUYQJUARKJAEJ-XHDPSFHLSA-N 1 1 386.236 4.435 20 0 GIADMO C[C@@H](CC(=O)NC[C@H](c1cccs1)[NH+](C)C)C(=O)c1ccc(Cl)cc1 ZINC000181400206 821806890 /nfs/dbraw/zinc/80/68/90/821806890.db2.gz DVKFSHPYJRWGHE-XJKSGUPXSA-N 1 1 378.925 4.030 20 0 GIADMO C[C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(=O)c1ccc(Cl)cc1 ZINC000181400167 821806947 /nfs/dbraw/zinc/80/69/47/821806947.db2.gz DVKFSHPYJRWGHE-BBRMVZONSA-N 1 1 378.925 4.030 20 0 GIADMO CC[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000181418247 821815929 /nfs/dbraw/zinc/81/59/29/821815929.db2.gz WWCBIHFHBOOLNW-UFYCRDLUSA-N 1 1 395.385 4.258 20 0 GIADMO CC[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000181418247 821815939 /nfs/dbraw/zinc/81/59/39/821815939.db2.gz WWCBIHFHBOOLNW-UFYCRDLUSA-N 1 1 395.385 4.258 20 0 GIADMO COC[C@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1ccc(F)c(F)c1 ZINC000181427381 821821165 /nfs/dbraw/zinc/82/11/65/821821165.db2.gz QQYXCKBXHWKGLN-YJYMSZOUSA-N 1 1 396.865 4.115 20 0 GIADMO C[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181435021 821825834 /nfs/dbraw/zinc/82/58/34/821825834.db2.gz FHAUDXGQZZZCLZ-ZMSDIMECSA-N 1 1 393.369 4.322 20 0 GIADMO C[C@@H](NC(=O)CCCOc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181453779 821832577 /nfs/dbraw/zinc/83/25/77/821832577.db2.gz YSPMLYSHNNVNKM-SJORKVTESA-N 1 1 378.944 4.268 20 0 GIADMO C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181454249 821833172 /nfs/dbraw/zinc/83/31/72/821833172.db2.gz RGQACYWPAABJLI-GJZGRUSLSA-N 1 1 389.590 4.183 20 0 GIADMO Cc1ccc([C@H](OC[C@@H](O)C[N@@H+](C)CCc2ccncc2)c2ccccc2)cc1 ZINC000181459957 821836585 /nfs/dbraw/zinc/83/65/85/821836585.db2.gz VMJAAIZYZPROKO-LOSJGSFVSA-N 1 1 390.527 4.031 20 0 GIADMO C[C@H](NC(=O)CCOc1ccc(F)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181469169 821840407 /nfs/dbraw/zinc/84/04/07/821840407.db2.gz FAOCBDPLRCROFC-GJZGRUSLSA-N 1 1 382.907 4.017 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(OCc2nccn2C)cc1 ZINC000181479247 821844369 /nfs/dbraw/zinc/84/43/69/821844369.db2.gz VWTPQIOEKGVPBS-KRWDZBQOSA-N 1 1 379.508 4.162 20 0 GIADMO C[C@@H](NC(=O)c1cc2c(cccc2OC(F)F)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181492972 821851652 /nfs/dbraw/zinc/85/16/52/821851652.db2.gz XMXORFXYLSCTFR-KGLIPLIRSA-N 1 1 391.462 4.152 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000181495484 821852915 /nfs/dbraw/zinc/85/29/15/821852915.db2.gz LFZRTFWAUZWJKN-SFHVURJKSA-N 1 1 375.472 4.375 20 0 GIADMO C[C@H]1CC[C@@H](CCC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000181496973 821853755 /nfs/dbraw/zinc/85/37/55/821853755.db2.gz XQBRGIWDNQOGHV-LIRRHRJNSA-N 1 1 399.362 4.422 20 0 GIADMO O=C(C[C@@H]1CCCCO1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181497369 821854377 /nfs/dbraw/zinc/85/43/77/821854377.db2.gz NKQNGWKOANDWKB-SFHVURJKSA-N 1 1 385.335 4.033 20 0 GIADMO C[C@H](NC(=O)CCc1cccc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181507436 821858838 /nfs/dbraw/zinc/85/88/38/821858838.db2.gz KTQYAQJPRDDQLR-DOTOQJQBSA-N 1 1 393.369 4.151 20 0 GIADMO C[C@H](NC(=O)COc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181509243 821860176 /nfs/dbraw/zinc/86/01/76/821860176.db2.gz WQXIDFRKEHBKPG-KBPBESRZSA-N 1 1 385.335 4.141 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)sc1Cl ZINC000181525276 821866487 /nfs/dbraw/zinc/86/64/87/821866487.db2.gz BRGDQLWEQPNMBF-APPZFPTMSA-N 1 1 375.243 4.259 20 0 GIADMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000181541058 821874039 /nfs/dbraw/zinc/87/40/39/821874039.db2.gz UKFUTNSZSKWUOK-UHFFFAOYSA-N 1 1 399.966 4.146 20 0 GIADMO CC[N@@H+](CCCc1ccccc1Cl)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000181540665 821874274 /nfs/dbraw/zinc/87/42/74/821874274.db2.gz FCEVJMGSQVNSHQ-UHFFFAOYSA-N 1 1 387.911 4.192 20 0 GIADMO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181543489 821874881 /nfs/dbraw/zinc/87/48/81/821874881.db2.gz AEFDIKKRJQCIQU-IAGOWNOFSA-N 1 1 399.510 4.183 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)cnn1-c1cc(C)ccc1C ZINC000181582794 821888970 /nfs/dbraw/zinc/88/89/70/821888970.db2.gz DVFJHDGXXDYCKH-CQSZACIVSA-N 1 1 391.441 4.401 20 0 GIADMO O=c1cc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)nc2sccn21 ZINC000181586130 821891003 /nfs/dbraw/zinc/89/10/03/821891003.db2.gz HBLMPHBPWKUNNA-IBGZPJMESA-N 1 1 397.450 4.108 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)CC1 ZINC000181608597 821901033 /nfs/dbraw/zinc/90/10/33/821901033.db2.gz HHLRUMJLBIURQN-UHFFFAOYSA-N 1 1 381.851 4.164 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Br)c2)C2CC2)n1 ZINC000181618639 821906138 /nfs/dbraw/zinc/90/61/38/821906138.db2.gz WRGPPGDKWGODBJ-NHYWBVRUSA-N 1 1 394.338 4.282 20 0 GIADMO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000181652757 821924236 /nfs/dbraw/zinc/92/42/36/821924236.db2.gz BMGOHTFLATVELL-ZDUSSCGKSA-N 1 1 397.924 4.002 20 0 GIADMO Fc1ccc(Br)c(C[NH2+]Cc2c(C3CC3)nc3sccn23)c1 ZINC000181656848 821927012 /nfs/dbraw/zinc/92/70/12/821927012.db2.gz LUACFDSNGZDLQR-UHFFFAOYSA-N 1 1 380.286 4.465 20 0 GIADMO C[C@@H](NC(=O)c1occc1COc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669209 821934749 /nfs/dbraw/zinc/93/47/49/821934749.db2.gz NXAOSGQNOUCXSZ-QZTJIDSGSA-N 1 1 382.504 4.241 20 0 GIADMO CCc1c2ccccc2oc1[C@@H](C)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000181669979 821935412 /nfs/dbraw/zinc/93/54/12/821935412.db2.gz JDGXIZGOEHEIBT-QGZVFWFLSA-N 1 1 393.531 4.137 20 0 GIADMO C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181682361 821941858 /nfs/dbraw/zinc/94/18/58/821941858.db2.gz RZUKSVXFZNGAJX-HOTGVXAUSA-N 1 1 378.944 4.267 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000181714614 821957077 /nfs/dbraw/zinc/95/70/77/821957077.db2.gz XLJBFCLWQIVOPP-LBPRGKRZSA-N 1 1 380.414 4.282 20 0 GIADMO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2nnc(C3CCC3)n2C)cc1 ZINC000181715106 821957600 /nfs/dbraw/zinc/95/76/00/821957600.db2.gz LHCNHIDXNKTJMM-NRFANRHFSA-N 1 1 394.494 4.304 20 0 GIADMO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000181724882 821962522 /nfs/dbraw/zinc/96/25/22/821962522.db2.gz MUXVZBIMHBZKKL-MRXNPFEDSA-N 1 1 380.305 4.224 20 0 GIADMO C[C@@H]1C[C@@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000181736988 821969334 /nfs/dbraw/zinc/96/93/34/821969334.db2.gz XHRXTFBAWITPRL-OFNKIYASSA-N 1 1 399.623 4.256 20 0 GIADMO Cc1cc2cc(C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)oc2c(Br)c1 ZINC000181757337 821978899 /nfs/dbraw/zinc/97/88/99/821978899.db2.gz YHPADACIYKRQPX-CJNGLKHVSA-N 1 1 391.309 4.060 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)Cc3ccc(C)cc3)CC2)cs1 ZINC000181779040 821988921 /nfs/dbraw/zinc/98/89/21/821988921.db2.gz DJXOBKMERCVTPW-SFHVURJKSA-N 1 1 399.604 4.221 20 0 GIADMO CCC[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000181785807 821991290 /nfs/dbraw/zinc/99/12/90/821991290.db2.gz XVZQXHBIOIFSBC-QGZVFWFLSA-N 1 1 375.398 4.312 20 0 GIADMO Cc1cc(C)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(Cl)n1 ZINC000181879862 822024498 /nfs/dbraw/zinc/02/44/98/822024498.db2.gz DBHFAEODDJVJAO-HNNXBMFYSA-N 1 1 377.941 4.055 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccc(-n2cncn2)cc1 ZINC000181909789 822034561 /nfs/dbraw/zinc/03/45/61/822034561.db2.gz LFNHSZGCULHFRY-CQSZACIVSA-N 1 1 379.464 4.381 20 0 GIADMO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc(OC)cc2Br)cc1 ZINC000181911632 822035089 /nfs/dbraw/zinc/03/50/89/822035089.db2.gz FLEBMHHQNQHEMO-BFUOFWGJSA-N 1 1 394.309 4.241 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)c1ccc(-n2cncn2)cc1 ZINC000181915848 822035964 /nfs/dbraw/zinc/03/59/64/822035964.db2.gz IKJAFRGVDJYOIC-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@@H](c1ccc(NC(=O)c2cc(Cl)cc(Cl)n2)cc1)[NH+]1CCOCC1 ZINC000181956457 822045241 /nfs/dbraw/zinc/04/52/41/822045241.db2.gz RDSTVTGFAPLEMT-LBPRGKRZSA-N 1 1 380.275 4.034 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C(C)C)n2)ccc1F ZINC000181974459 822050041 /nfs/dbraw/zinc/05/00/41/822050041.db2.gz RHCQDPGBFMUFHN-OAQYLSRUSA-N 1 1 397.450 4.442 20 0 GIADMO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2cc(Cl)ccc2o1 ZINC000181975904 822050369 /nfs/dbraw/zinc/05/03/69/822050369.db2.gz NTDCXBCOPQKMKE-OAHLLOKOSA-N 1 1 399.922 4.228 20 0 GIADMO CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000181983890 822053170 /nfs/dbraw/zinc/05/31/70/822053170.db2.gz MXCKWGPYHKDFRY-LEWJYISDSA-N 1 1 399.560 4.266 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000181988531 822055273 /nfs/dbraw/zinc/05/52/73/822055273.db2.gz WJQLBXORDPNCRI-NKWVEPMBSA-N 1 1 394.290 4.338 20 0 GIADMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1-c1nc(C2CC2)no1 ZINC000182006797 822060102 /nfs/dbraw/zinc/06/01/02/822060102.db2.gz AEBGPNCDFSDGCV-IAGOWNOFSA-N 1 1 395.507 4.013 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182019025 822064707 /nfs/dbraw/zinc/06/47/07/822064707.db2.gz OJKXXOCFXWSMNP-MRXNPFEDSA-N 1 1 380.467 4.183 20 0 GIADMO CCc1cc(NC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccc1C ZINC000182022860 822065891 /nfs/dbraw/zinc/06/58/91/822065891.db2.gz CVOBOVDCDYRDKF-UHFFFAOYSA-N 1 1 384.524 4.196 20 0 GIADMO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCCCCn1cc[nH+]c1C ZINC000182029112 822067359 /nfs/dbraw/zinc/06/73/59/822067359.db2.gz PQRDUSRRMXVRIF-UHFFFAOYSA-N 1 1 390.459 4.112 20 0 GIADMO CCC[C@H]1CN(C(=O)C[C@@H](C)c2c(C)noc2C)CC[N@H+]1Cc1ccccc1 ZINC000182056209 822076965 /nfs/dbraw/zinc/07/69/65/822076965.db2.gz HDWPACFGHITDCD-UTKZUKDTSA-N 1 1 383.536 4.298 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)C1 ZINC000182060578 822077925 /nfs/dbraw/zinc/07/79/25/822077925.db2.gz RXMHIODJIAVVOZ-CQSZACIVSA-N 1 1 393.503 4.201 20 0 GIADMO CCOc1cccc2cc([C@H](C)NCc3ccnc(OCC[NH+](C)C)c3)oc21 ZINC000182090858 822089935 /nfs/dbraw/zinc/08/99/35/822089935.db2.gz DNBGYEINZKSENN-INIZCTEOSA-N 1 1 383.492 4.018 20 0 GIADMO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccccc1 ZINC000182101257 822094465 /nfs/dbraw/zinc/09/44/65/822094465.db2.gz JBENMQQTNFIIJZ-DWXRJYCRSA-N 1 1 375.440 4.434 20 0 GIADMO COC(=O)c1ccc(F)c(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000182110659 822098156 /nfs/dbraw/zinc/09/81/56/822098156.db2.gz QRQAYAOPWJWWLM-UHFFFAOYSA-N 1 1 378.241 4.154 20 0 GIADMO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000182112036 822098464 /nfs/dbraw/zinc/09/84/64/822098464.db2.gz IWFDOVKZRRBGSD-AWEZNQCLSA-N 1 1 386.879 4.104 20 0 GIADMO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ncc(Br)s1 ZINC000182157767 822122357 /nfs/dbraw/zinc/12/23/57/822122357.db2.gz LQDCATBGGCXNNR-ORUWWINDSA-N 1 1 389.265 4.365 20 0 GIADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)c3ccccn3)[C@H](c3ccco3)C2)cc1 ZINC000182172501 822131043 /nfs/dbraw/zinc/13/10/43/822131043.db2.gz DBCPNUTVFMLLTR-UWJYYQICSA-N 1 1 388.471 4.012 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)cc1 ZINC000182218616 822153333 /nfs/dbraw/zinc/15/33/33/822153333.db2.gz OZMITEXWXOZDBX-OAHLLOKOSA-N 1 1 394.441 4.462 20 0 GIADMO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nccn1C ZINC000182244454 822165121 /nfs/dbraw/zinc/16/51/21/822165121.db2.gz SEPMKDLEHWLGRP-MRXNPFEDSA-N 1 1 375.451 4.263 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CCCOCc2ccccc2)CC1 ZINC000182261258 822174538 /nfs/dbraw/zinc/17/45/38/822174538.db2.gz LLTJUEQCUXYDDO-UHFFFAOYSA-N 1 1 386.923 4.095 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)[C@H]1CCCO1 ZINC000182263003 822176063 /nfs/dbraw/zinc/17/60/63/822176063.db2.gz PULPDMKZMNIZRN-VQTJNVASSA-N 1 1 387.549 4.492 20 0 GIADMO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000182308012 822197035 /nfs/dbraw/zinc/19/70/35/822197035.db2.gz AHRPXQWLMCUDJI-CVEARBPZSA-N 1 1 381.701 4.370 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@H](CC)[C@@H]2CCCO2)cs1 ZINC000182308146 822197233 /nfs/dbraw/zinc/19/72/33/822197233.db2.gz YEUPXKJCGSBMKE-QUCCMNQESA-N 1 1 387.549 4.437 20 0 GIADMO CCOc1cccc([C@H](C)[NH2+]Cc2coc(-c3ccc(C(=O)OC)cc3)n2)c1 ZINC000182429605 822240387 /nfs/dbraw/zinc/24/03/87/822240387.db2.gz HFMAHFSJZGVYIT-HNNXBMFYSA-N 1 1 380.444 4.378 20 0 GIADMO COc1cc2c(cc1NC(=O)C[NH2+][C@@H](C)c1ccccn1)oc1ccccc12 ZINC000182431295 822240761 /nfs/dbraw/zinc/24/07/61/822240761.db2.gz HVUCGEQTPAWZPA-AWEZNQCLSA-N 1 1 375.428 4.279 20 0 GIADMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000182434678 822241668 /nfs/dbraw/zinc/24/16/68/822241668.db2.gz MTKHRKFFSNXAEZ-NSHDSACASA-N 1 1 393.274 4.139 20 0 GIADMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000182448998 822246484 /nfs/dbraw/zinc/24/64/84/822246484.db2.gz DPPVYWYDXCLDMC-QWHCGFSZSA-N 1 1 387.867 4.440 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)c1c(C)noc1C ZINC000182452036 822247299 /nfs/dbraw/zinc/24/72/99/822247299.db2.gz LLSPGTJNQPTQGB-NRFANRHFSA-N 1 1 395.503 4.153 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccn1 ZINC000182463353 822252779 /nfs/dbraw/zinc/25/27/79/822252779.db2.gz FGGWQIMBFOBQPY-GOSISDBHSA-N 1 1 397.482 4.224 20 0 GIADMO COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(OCc4ccccc4)CC3)n2)cc1 ZINC000177946875 822253205 /nfs/dbraw/zinc/25/32/05/822253205.db2.gz SURHMLCLOGOSLF-QGZVFWFLSA-N 1 1 393.487 4.487 20 0 GIADMO CCC[N@@H+](Cc1cn2ccsc2n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177972741 822264208 /nfs/dbraw/zinc/26/42/08/822264208.db2.gz RAEJRTDDACIDGF-UHFFFAOYSA-N 1 1 378.542 4.007 20 0 GIADMO Fc1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c2c(c1)COCO2 ZINC000177974442 822265174 /nfs/dbraw/zinc/26/51/74/822265174.db2.gz CDKGLFGPWUPIQI-CQSZACIVSA-N 1 1 388.508 4.407 20 0 GIADMO O=C1O[C@@H](C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CN1c1ccccc1 ZINC000177974813 822265475 /nfs/dbraw/zinc/26/54/75/822265475.db2.gz ISZOEQBFMGRGFN-WMZOPIPTSA-N 1 1 397.544 4.227 20 0 GIADMO C[C@H](NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccoc1 ZINC000177985027 822269731 /nfs/dbraw/zinc/26/97/31/822269731.db2.gz WNNLVHGWXLFGEU-FQEVSTJZSA-N 1 1 375.516 4.453 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(Br)c(F)cc2Cl)CC[N@H+]1C ZINC000177992172 822273263 /nfs/dbraw/zinc/27/32/63/822273263.db2.gz CRGVCYYDHFNEEY-NXEZZACHSA-N 1 1 392.700 4.188 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)C1 ZINC000178009164 822280164 /nfs/dbraw/zinc/28/01/64/822280164.db2.gz YTRBHECTNAJFMR-LJQANCHMSA-N 1 1 397.567 4.034 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)cc1CN1CCCCC1 ZINC000182537962 822289403 /nfs/dbraw/zinc/28/94/03/822289403.db2.gz XOUKEQKAWROMNB-XMSQKQJNSA-N 1 1 398.547 4.074 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)ccc1OC(F)F ZINC000178046553 822298560 /nfs/dbraw/zinc/29/85/60/822298560.db2.gz HXAIKXXYIQORIN-KBPBESRZSA-N 1 1 388.418 4.289 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000182555353 822299762 /nfs/dbraw/zinc/29/97/62/822299762.db2.gz NJLVBDZSFKSCJD-INIZCTEOSA-N 1 1 393.959 4.028 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCOc2c(Cl)cccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182557466 822301221 /nfs/dbraw/zinc/30/12/21/822301221.db2.gz FDLFDJUQFAFFLY-QMTMVMCOSA-N 1 1 391.943 4.116 20 0 GIADMO Cc1cccc2nc(C[NH2+][C@H]3CCCOc4ccc(Br)cc43)cn21 ZINC000178056371 822303628 /nfs/dbraw/zinc/30/36/28/822303628.db2.gz UENJZUBSSVPJFI-KRWDZBQOSA-N 1 1 386.293 4.409 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1)c1ccccc1 ZINC000178059102 822304191 /nfs/dbraw/zinc/30/41/91/822304191.db2.gz SHGQKRFDWMPHMY-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1)c1ccccc1 ZINC000178059102 822304203 /nfs/dbraw/zinc/30/42/03/822304203.db2.gz SHGQKRFDWMPHMY-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO COc1cc(N[C@H]2CCC[N@@H+](Cc3nc4ccccc4nc3C)C2)cc(OC)c1 ZINC000178058706 822304377 /nfs/dbraw/zinc/30/43/77/822304377.db2.gz COCGJIAPUQIYCH-KRWDZBQOSA-N 1 1 392.503 4.032 20 0 GIADMO O=C(CC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000182567135 822306159 /nfs/dbraw/zinc/30/61/59/822306159.db2.gz GNSQZOJEIUKOAF-UHFFFAOYSA-N 1 1 385.895 4.153 20 0 GIADMO O=C(CC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000182567135 822306163 /nfs/dbraw/zinc/30/61/63/822306163.db2.gz GNSQZOJEIUKOAF-UHFFFAOYSA-N 1 1 385.895 4.153 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178074143 822309645 /nfs/dbraw/zinc/30/96/45/822309645.db2.gz GSSUHXAAVULSAY-OAHLLOKOSA-N 1 1 390.516 4.253 20 0 GIADMO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000178075499 822310384 /nfs/dbraw/zinc/31/03/84/822310384.db2.gz IZHSKGQXGNIYBA-LJQANCHMSA-N 1 1 375.501 4.106 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1)c1ccccc1 ZINC000178131484 822328079 /nfs/dbraw/zinc/32/80/79/822328079.db2.gz BQGFENKYNXCFSR-JPYJTQIMSA-N 1 1 390.531 4.441 20 0 GIADMO CC[C@H](C)[N@@H+](CCCn1ccnc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000182673259 822347287 /nfs/dbraw/zinc/34/72/87/822347287.db2.gz ZCSATKJNNVIBCG-HNNXBMFYSA-N 1 1 382.430 4.031 20 0 GIADMO C[C@@H](NC(=O)NC[C@@H](C)c1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182680579 822349931 /nfs/dbraw/zinc/34/99/31/822349931.db2.gz TWJGAEKTZZGOGA-BZUAXINKSA-N 1 1 379.495 4.021 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1 ZINC000178219041 822354987 /nfs/dbraw/zinc/35/49/87/822354987.db2.gz BACLSTGYCWGABR-QGZVFWFLSA-N 1 1 397.523 4.245 20 0 GIADMO C[C@@H](NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182720439 822357633 /nfs/dbraw/zinc/35/76/33/822357633.db2.gz CYYDNXPWNNHSTC-QKNQBKEWSA-N 1 1 398.595 4.300 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCCc3ccc(C)cc3)CC2)cc1 ZINC000045033972 822358590 /nfs/dbraw/zinc/35/85/90/822358590.db2.gz XXUZBWWAKXNNIV-UHFFFAOYSA-N 1 1 380.532 4.061 20 0 GIADMO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000045033872 822358638 /nfs/dbraw/zinc/35/86/38/822358638.db2.gz ZDUFCODEOXCOTP-SJORKVTESA-N 1 1 386.433 4.229 20 0 GIADMO O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000045033872 822358641 /nfs/dbraw/zinc/35/86/41/822358641.db2.gz ZDUFCODEOXCOTP-SJORKVTESA-N 1 1 386.433 4.229 20 0 GIADMO Cc1ccc(C[C@H](CO)[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)cc1C ZINC000453411436 822359089 /nfs/dbraw/zinc/35/90/89/822359089.db2.gz AMVQBJGZSQZEFB-NFBKMPQASA-N 1 1 382.454 4.259 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000182733512 822359471 /nfs/dbraw/zinc/35/94/71/822359471.db2.gz FWHGKKBOCIAIPS-UHFFFAOYSA-N 1 1 388.475 4.132 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3ccc(C)c(-c4ncco4)c3)CC2)[nH+]c1 ZINC000178271661 822361506 /nfs/dbraw/zinc/36/15/06/822361506.db2.gz AGLBRFXXHGGHTG-UHFFFAOYSA-N 1 1 376.460 4.209 20 0 GIADMO CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000453428631 822361845 /nfs/dbraw/zinc/36/18/45/822361845.db2.gz ACSFDGUJROKKSV-UHFFFAOYSA-N 1 1 393.988 4.164 20 0 GIADMO C[C@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182768638 822364731 /nfs/dbraw/zinc/36/47/31/822364731.db2.gz RZHUIYHMUHOWSL-YDWJEQILSA-N 1 1 399.579 4.107 20 0 GIADMO C[C@@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182768658 822364779 /nfs/dbraw/zinc/36/47/79/822364779.db2.gz RZHUIYHMUHOWSL-SQVLJLFZSA-N 1 1 399.579 4.107 20 0 GIADMO Cc1nc(-c2ccc(CNC(=O)NCCC[N@H+](C)Cc3ccccc3)o2)cs1 ZINC000045131110 822364814 /nfs/dbraw/zinc/36/48/14/822364814.db2.gz ZEVLRCWRAPNBCY-UHFFFAOYSA-N 1 1 398.532 4.033 20 0 GIADMO CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1nc(C(F)(F)F)cs1 ZINC000178309617 822366079 /nfs/dbraw/zinc/36/60/79/822366079.db2.gz YKKIZVUGZHXEEX-TZMCWYRMSA-N 1 1 389.487 4.384 20 0 GIADMO CCN(c1nnc([C@@H]2CCCCO2)n1CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000453455313 822366962 /nfs/dbraw/zinc/36/69/62/822366962.db2.gz SRQZQRMPQTXGHX-TYPHKJRUSA-N 1 1 397.567 4.201 20 0 GIADMO COCC[NH+]1CCC(N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000178327300 822367652 /nfs/dbraw/zinc/36/76/52/822367652.db2.gz LHEJRJXTFGMPGM-NRFANRHFSA-N 1 1 390.474 4.078 20 0 GIADMO Cc1cc(C)cc([C@H]2CC[N@H+](CN3C(=S)N=NC3Cc3cccs3)C2)c1 ZINC000182794029 822368232 /nfs/dbraw/zinc/36/82/32/822368232.db2.gz SKDUFKANFDSSQH-INIZCTEOSA-N 1 1 384.574 4.283 20 0 GIADMO Cc1cc(C)cc([C@H]2CC[N@@H+](CN3C(=S)N=NC3Cc3cccs3)C2)c1 ZINC000182794029 822368235 /nfs/dbraw/zinc/36/82/35/822368235.db2.gz SKDUFKANFDSSQH-INIZCTEOSA-N 1 1 384.574 4.283 20 0 GIADMO CCC[C@H]1CN(C(=O)Nc2ccc(NC(C)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000182796095 822368756 /nfs/dbraw/zinc/36/87/56/822368756.db2.gz IUAARCLRVJENTQ-QFIPXVFZSA-N 1 1 394.519 4.163 20 0 GIADMO C[C@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccc(-n2cncn2)cc1 ZINC000178353029 822370553 /nfs/dbraw/zinc/37/05/53/822370553.db2.gz PAJOJUTUMIQKPB-KRWDZBQOSA-N 1 1 389.528 4.360 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)cnc21 ZINC000182823982 822373300 /nfs/dbraw/zinc/37/33/00/822373300.db2.gz NBAWDOXKDKCBPT-INIZCTEOSA-N 1 1 392.429 4.065 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)cnc21 ZINC000182824007 822373386 /nfs/dbraw/zinc/37/33/86/822373386.db2.gz NBAWDOXKDKCBPT-MRXNPFEDSA-N 1 1 392.429 4.065 20 0 GIADMO C[C@@H](NC(=O)Nc1cccc(Cl)c1N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182834020 822375222 /nfs/dbraw/zinc/37/52/22/822375222.db2.gz RETAOGKMOVIBDF-HUUCEWRRSA-N 1 1 378.948 4.181 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178405912 822376119 /nfs/dbraw/zinc/37/61/19/822376119.db2.gz HYDWRIXRDLRYKI-KBPBESRZSA-N 1 1 396.915 4.431 20 0 GIADMO C[C@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182845799 822377653 /nfs/dbraw/zinc/37/76/53/822377653.db2.gz NDCMLEACQFOBMJ-LSDHHAIUSA-N 1 1 399.457 4.402 20 0 GIADMO C[C@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182847682 822378077 /nfs/dbraw/zinc/37/80/77/822378077.db2.gz TURWMVOWFIAKCQ-GJZGRUSLSA-N 1 1 379.495 4.152 20 0 GIADMO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178430264 822378503 /nfs/dbraw/zinc/37/85/03/822378503.db2.gz PMTADHMGVTXNDB-WBMJQRKESA-N 1 1 399.869 4.422 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182849625 822378509 /nfs/dbraw/zinc/37/85/09/822378509.db2.gz MSBGOZMJZDPNMC-HOTGVXAUSA-N 1 1 397.485 4.500 20 0 GIADMO C[C@@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182851174 822378943 /nfs/dbraw/zinc/37/89/43/822378943.db2.gz SFFCRGAFWCFEKJ-ZBFHGGJFSA-N 1 1 386.927 4.113 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182855763 822379844 /nfs/dbraw/zinc/37/98/44/822379844.db2.gz ABVDFDVPUMTMDV-CABCVRRESA-N 1 1 399.457 4.402 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1OC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867019 822382126 /nfs/dbraw/zinc/38/21/26/822382126.db2.gz VRZKBQSKIPDNJZ-KGLIPLIRSA-N 1 1 385.430 4.360 20 0 GIADMO C[C@H](NC(=O)N(C)CCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182867832 822382297 /nfs/dbraw/zinc/38/22/97/822382297.db2.gz YOYHYXOZCARNJN-FUHWJXTLSA-N 1 1 377.960 4.177 20 0 GIADMO COCc1cc(C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)ccc1F ZINC000178483950 822384073 /nfs/dbraw/zinc/38/40/73/822384073.db2.gz WHJCOUXGPCIKGJ-CYBMUJFWSA-N 1 1 388.874 4.365 20 0 GIADMO COCc1cc(C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)ccc1F ZINC000178483963 822384092 /nfs/dbraw/zinc/38/40/92/822384092.db2.gz WHJCOUXGPCIKGJ-ZDUSSCGKSA-N 1 1 388.874 4.365 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2cc3ccccc3o2)ccc1S(=O)(=O)C(F)F ZINC000178486813 822384316 /nfs/dbraw/zinc/38/43/16/822384316.db2.gz BCXRVBVQZRVHMT-GFCCVEGCSA-N 1 1 395.427 4.289 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C1 ZINC000182879166 822384803 /nfs/dbraw/zinc/38/48/03/822384803.db2.gz PFIUDUGMQSLWGW-AVRDEDQJSA-N 1 1 392.547 4.011 20 0 GIADMO Cc1cc(Br)c(C[NH2+]Cc2cccnc2OCC(F)F)s1 ZINC000453578327 822387252 /nfs/dbraw/zinc/38/72/52/822387252.db2.gz YGWLYHYOJRXXGP-UHFFFAOYSA-N 1 1 377.254 4.148 20 0 GIADMO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)n1 ZINC000178533415 822388727 /nfs/dbraw/zinc/38/87/27/822388727.db2.gz QBJSRLJSMDSYLM-IFMALSPDSA-N 1 1 378.520 4.217 20 0 GIADMO Cc1cc(Br)c(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000453590148 822389642 /nfs/dbraw/zinc/38/96/42/822389642.db2.gz GQJHWHWHNKQTEH-INIZCTEOSA-N 1 1 394.382 4.168 20 0 GIADMO Cc1cc(Br)c(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)s1 ZINC000453590148 822389646 /nfs/dbraw/zinc/38/96/46/822389646.db2.gz GQJHWHWHNKQTEH-INIZCTEOSA-N 1 1 394.382 4.168 20 0 GIADMO Cc1cc(Br)c(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)s1 ZINC000453590148 822389651 /nfs/dbraw/zinc/38/96/51/822389651.db2.gz GQJHWHWHNKQTEH-INIZCTEOSA-N 1 1 394.382 4.168 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182906469 822390082 /nfs/dbraw/zinc/39/00/82/822390082.db2.gz CDQZQEUIHCZDJU-STQMWFEESA-N 1 1 385.430 4.202 20 0 GIADMO O=C(Nc1ccc(Cl)nc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178545222 822390415 /nfs/dbraw/zinc/39/04/15/822390415.db2.gz RRRWRYZZOCCFTN-MJGOQNOKSA-N 1 1 384.911 4.253 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182908643 822390572 /nfs/dbraw/zinc/39/05/72/822390572.db2.gz OLIADJXOOROEIC-KBPBESRZSA-N 1 1 380.330 4.224 20 0 GIADMO CC(C)[N@H+]1CCc2nc(CN[C@H](c3ccccc3)C3(CO)CCCC3)sc2C1 ZINC000453597029 822390808 /nfs/dbraw/zinc/39/08/08/822390808.db2.gz BCYYQKGJHJBCFQ-JOCHJYFZSA-N 1 1 399.604 4.293 20 0 GIADMO C[C@@H](NC(=O)N1CCc2c(Cl)cccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182910150 822390904 /nfs/dbraw/zinc/39/09/04/822390904.db2.gz FPAKOGSHRVSJDN-HZPDHXFCSA-N 1 1 375.944 4.061 20 0 GIADMO C[C@@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182910969 822391060 /nfs/dbraw/zinc/39/10/60/822391060.db2.gz DENWLTNJRUVUPL-YLJYHZDGSA-N 1 1 385.527 4.277 20 0 GIADMO C[C@H](NC(=O)N(C)CCOc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182923045 822393426 /nfs/dbraw/zinc/39/34/26/822393426.db2.gz MOVXYUHVOXGNJS-DLBZAZTESA-N 1 1 393.959 4.013 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182927164 822394451 /nfs/dbraw/zinc/39/44/51/822394451.db2.gz LSWLGKOIQRLNCL-WBVHZDCISA-N 1 1 395.494 4.082 20 0 GIADMO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000182942762 822397484 /nfs/dbraw/zinc/39/74/84/822397484.db2.gz YLARHVZMEHJMPJ-CQSZACIVSA-N 1 1 375.398 4.149 20 0 GIADMO Cc1cccc(NC2CCN(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC000182947224 822398114 /nfs/dbraw/zinc/39/81/14/822398114.db2.gz FBOVRLUSFRYRKO-UXHICEINSA-N 1 1 398.595 4.234 20 0 GIADMO Cc1ccc(N[C@H](C)c2ccc3c(c2)OCO3)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182966713 822401042 /nfs/dbraw/zinc/40/10/42/822401042.db2.gz JYZSLLFJTPTJAQ-QGZVFWFLSA-N 1 1 395.503 4.321 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000178733770 822406167 /nfs/dbraw/zinc/40/61/67/822406167.db2.gz CJMBCDXMJVPCNO-IRXDYDNUSA-N 1 1 388.581 4.367 20 0 GIADMO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000178758700 822407601 /nfs/dbraw/zinc/40/76/01/822407601.db2.gz ZWJUVXRLVCATPF-KGLIPLIRSA-N 1 1 376.545 4.063 20 0 GIADMO Cc1cc(C)c2c(c1)[C@@H](Nc1cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c1)CCCO2 ZINC000183013777 822411487 /nfs/dbraw/zinc/41/14/87/822411487.db2.gz BXLYQMQDGLEFTE-FCHUYYIVSA-N 1 1 393.531 4.079 20 0 GIADMO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(Br)cc1F ZINC000045771416 822411929 /nfs/dbraw/zinc/41/19/29/822411929.db2.gz GUWMSZDFNGJZDQ-UHFFFAOYSA-N 1 1 391.284 4.112 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(Br)cc1F ZINC000045771416 822411932 /nfs/dbraw/zinc/41/19/32/822411932.db2.gz GUWMSZDFNGJZDQ-UHFFFAOYSA-N 1 1 391.284 4.112 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc([S@](C)=O)cc1 ZINC000178805033 822412228 /nfs/dbraw/zinc/41/22/28/822412228.db2.gz ACTWIMJURGFIFA-VWLOTQADSA-N 1 1 399.343 4.191 20 0 GIADMO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000045789291 822414004 /nfs/dbraw/zinc/41/40/04/822414004.db2.gz AWEPZPPMAMWCRE-HTAPYJJXSA-N 1 1 396.535 4.262 20 0 GIADMO CNC(=O)c1cccc(C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)c1 ZINC000045822536 822416872 /nfs/dbraw/zinc/41/68/72/822416872.db2.gz VIIPFFYARQIISK-UHFFFAOYSA-N 1 1 396.922 4.100 20 0 GIADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000183050049 822417718 /nfs/dbraw/zinc/41/77/18/822417718.db2.gz JONMNRURCYMROK-MGPUTAFESA-N 1 1 395.952 4.159 20 0 GIADMO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183058015 822418522 /nfs/dbraw/zinc/41/85/22/822418522.db2.gz LPVCCFGOTQGQJS-UHFFFAOYSA-N 1 1 399.416 4.212 20 0 GIADMO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183058232 822418563 /nfs/dbraw/zinc/41/85/63/822418563.db2.gz YUZZEABCUIYGRB-UHFFFAOYSA-N 1 1 399.416 4.212 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3oc4ccc(Cl)cc4c3C)sc2C1 ZINC000045843699 822418610 /nfs/dbraw/zinc/41/86/10/822418610.db2.gz NUYASCWURQIFDV-UHFFFAOYSA-N 1 1 375.881 4.481 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3oc4ccc(Cl)cc4c3C)sc2C1 ZINC000045843699 822418612 /nfs/dbraw/zinc/41/86/12/822418612.db2.gz NUYASCWURQIFDV-UHFFFAOYSA-N 1 1 375.881 4.481 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1)C1CCCCC1 ZINC000183063190 822419187 /nfs/dbraw/zinc/41/91/87/822419187.db2.gz IRIKQZOJZKKMGH-HXUWFJFHSA-N 1 1 396.539 4.328 20 0 GIADMO C[N@H+](Cc1ccccc1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1)C1CCCCC1 ZINC000183063190 822419189 /nfs/dbraw/zinc/41/91/89/822419189.db2.gz IRIKQZOJZKKMGH-HXUWFJFHSA-N 1 1 396.539 4.328 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CCCC[C@@H]1c1nnc[nH]1)C1CCCCC1 ZINC000183063190 822419192 /nfs/dbraw/zinc/41/91/92/822419192.db2.gz IRIKQZOJZKKMGH-HXUWFJFHSA-N 1 1 396.539 4.328 20 0 GIADMO O=C(c1ccc(Cl)c2cccnc12)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000045887837 822421927 /nfs/dbraw/zinc/42/19/27/822421927.db2.gz WGEZPLMFICIXHC-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000183095323 822423784 /nfs/dbraw/zinc/42/37/84/822423784.db2.gz HXHZCBXCCQBAQZ-IBGZPJMESA-N 1 1 395.503 4.040 20 0 GIADMO CCCCC[N@@H+](Cc1nn2c(nc(C)cc2=O)s1)Cc1ccc(Cl)cc1 ZINC000183117976 822426663 /nfs/dbraw/zinc/42/66/63/822426663.db2.gz BTSYHARXZWNDAT-UHFFFAOYSA-N 1 1 390.940 4.305 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183119767 822427120 /nfs/dbraw/zinc/42/71/20/822427120.db2.gz LSKPNODJRGBXKH-QGZVFWFLSA-N 1 1 380.879 4.134 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179014496 822430126 /nfs/dbraw/zinc/43/01/26/822430126.db2.gz WORKIELHLIGYHY-IFMALSPDSA-N 1 1 389.503 4.056 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000183146132 822431000 /nfs/dbraw/zinc/43/10/00/822431000.db2.gz BZIWIGVYUYLPCL-AWEZNQCLSA-N 1 1 377.423 4.221 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000045988837 822431152 /nfs/dbraw/zinc/43/11/52/822431152.db2.gz WFPCQXUHXWPBJQ-SFHVURJKSA-N 1 1 388.556 4.305 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2cccc3cnccc32)CC1 ZINC000183164275 822433925 /nfs/dbraw/zinc/43/39/25/822433925.db2.gz FIMDASOHPQSTNJ-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000183172655 822435424 /nfs/dbraw/zinc/43/54/24/822435424.db2.gz GEXFGGCNAOGWCY-CHEFSKHESA-N 1 1 399.343 4.030 20 0 GIADMO O=C(O[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnc(-c2ccncc2)s1 ZINC000183178499 822436291 /nfs/dbraw/zinc/43/62/91/822436291.db2.gz ROAIYLATOXTGQS-SFHVURJKSA-N 1 1 379.485 4.027 20 0 GIADMO O=C(O[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnc(-c2ccncc2)s1 ZINC000183178499 822436294 /nfs/dbraw/zinc/43/62/94/822436294.db2.gz ROAIYLATOXTGQS-SFHVURJKSA-N 1 1 379.485 4.027 20 0 GIADMO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179092753 822437210 /nfs/dbraw/zinc/43/72/10/822437210.db2.gz DCNSJWFMLNQGBK-GOEBONIOSA-N 1 1 397.466 4.171 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179121754 822440628 /nfs/dbraw/zinc/44/06/28/822440628.db2.gz WEQGBJUAIYSVAS-CVEARBPZSA-N 1 1 390.934 4.428 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)C1CCCCC1 ZINC000454233238 822441652 /nfs/dbraw/zinc/44/16/52/822441652.db2.gz WWLKPZHZXHMOBD-KNKQGSTJSA-N 1 1 399.579 4.466 20 0 GIADMO COc1ccc(COCC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000046156314 822445551 /nfs/dbraw/zinc/44/55/51/822445551.db2.gz REMVJHCKAMZEMP-SFHVURJKSA-N 1 1 382.504 4.082 20 0 GIADMO O[C@H](C[C@H]1CCC[N@@H+]1Cc1cncc(Br)c1)c1ccc(F)cc1 ZINC000179161485 822445906 /nfs/dbraw/zinc/44/59/06/822445906.db2.gz WAYMSCFJYKDXQX-QZTJIDSGSA-N 1 1 379.273 4.071 20 0 GIADMO O[C@H](C[C@H]1CCC[N@H+]1Cc1cncc(Br)c1)c1ccc(F)cc1 ZINC000179161485 822445907 /nfs/dbraw/zinc/44/59/07/822445907.db2.gz WAYMSCFJYKDXQX-QZTJIDSGSA-N 1 1 379.273 4.071 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)cc(C)c1OCc1ccccn1 ZINC000183236629 822446154 /nfs/dbraw/zinc/44/61/54/822446154.db2.gz VSLHFCIBANIZBV-OAQYLSRUSA-N 1 1 396.531 4.252 20 0 GIADMO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000179176738 822447494 /nfs/dbraw/zinc/44/74/94/822447494.db2.gz HSSWBDQVFKCMTC-KRWDZBQOSA-N 1 1 382.533 4.400 20 0 GIADMO CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000179176738 822447495 /nfs/dbraw/zinc/44/74/95/822447495.db2.gz HSSWBDQVFKCMTC-KRWDZBQOSA-N 1 1 382.533 4.400 20 0 GIADMO CO[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1(C)C ZINC000454274397 822448208 /nfs/dbraw/zinc/44/82/08/822448208.db2.gz VRNWIOBRVYDCIA-NQIIRXRSSA-N 1 1 387.568 4.018 20 0 GIADMO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000454275433 822448380 /nfs/dbraw/zinc/44/83/80/822448380.db2.gz XHLYYRCERRRQMN-CNNODRBYSA-N 1 1 387.568 4.018 20 0 GIADMO Cn1ccnc1[C@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)C1CC1 ZINC000183252227 822448509 /nfs/dbraw/zinc/44/85/09/822448509.db2.gz XEHCDMVYEFPJOU-HXUWFJFHSA-N 1 1 378.451 4.052 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000183264884 822450594 /nfs/dbraw/zinc/45/05/94/822450594.db2.gz HDXFXPLAHJHKRR-LQWHRVPQSA-N 1 1 398.576 4.148 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3ccccc3SC)CC[N@H+]2C2CC2)c1 ZINC000183269864 822451510 /nfs/dbraw/zinc/45/15/10/822451510.db2.gz OAHKLEBKOFZNCO-CTNGQTDRSA-N 1 1 382.529 4.125 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3c[nH]c4cc(F)ccc34)CC[N@H+]2C2CC2)c1 ZINC000183271978 822451715 /nfs/dbraw/zinc/45/17/15/822451715.db2.gz WTLVPLJYQDKFDL-IRLDBZIGSA-N 1 1 393.462 4.023 20 0 GIADMO CC[C@@H](NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C(F)F ZINC000454291683 822452507 /nfs/dbraw/zinc/45/25/07/822452507.db2.gz QTDQRVOPGOBDHT-OAHLLOKOSA-N 1 1 393.400 4.013 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CSc2ccccc21 ZINC000454317490 822457378 /nfs/dbraw/zinc/45/73/78/822457378.db2.gz PKOCFCSNJPLPCT-IBGZPJMESA-N 1 1 383.561 4.216 20 0 GIADMO COCCCCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179268166 822459333 /nfs/dbraw/zinc/45/93/33/822459333.db2.gz FBMVENVHBOZAMH-GOTSBHOMSA-N 1 1 395.547 4.070 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454387199 822466891 /nfs/dbraw/zinc/46/68/91/822466891.db2.gz QYZZIDSQYIIOFT-INIZCTEOSA-N 1 1 386.565 4.353 20 0 GIADMO CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183390717 822467475 /nfs/dbraw/zinc/46/74/75/822467475.db2.gz ZAQTZPAPUFGTIV-SFHVURJKSA-N 1 1 398.595 4.390 20 0 GIADMO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@H](Cc3ccccc3)C3CC3)s2)cc1 ZINC000183394420 822467818 /nfs/dbraw/zinc/46/78/18/822467818.db2.gz PXDWKTGLZIFRST-LJQANCHMSA-N 1 1 392.528 4.210 20 0 GIADMO O=C(c1cccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1)N1CCCCC1 ZINC000183398565 822468290 /nfs/dbraw/zinc/46/82/90/822468290.db2.gz RUVMRZPIQVELQT-QFIPXVFZSA-N 1 1 382.479 4.105 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000046403834 822470371 /nfs/dbraw/zinc/47/03/71/822470371.db2.gz GXFGBJBDKYMQIV-UHFFFAOYSA-N 1 1 378.303 4.388 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000046404579 822470901 /nfs/dbraw/zinc/47/09/01/822470901.db2.gz MRSZBEOBQMMNPF-UHFFFAOYSA-N 1 1 391.437 4.029 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@@H](C)Cc3ccc(C(C)C)cc3)CC2)[nH+]c1 ZINC000179375679 822473332 /nfs/dbraw/zinc/47/33/32/822473332.db2.gz BFUODYRHOJTHMS-IBGZPJMESA-N 1 1 379.548 4.477 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000183440226 822475382 /nfs/dbraw/zinc/47/53/82/822475382.db2.gz PEYLYFFOAYTONC-AWEZNQCLSA-N 1 1 388.483 4.257 20 0 GIADMO Cc1cc(C)c(NC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179391888 822476034 /nfs/dbraw/zinc/47/60/34/822476034.db2.gz LTXBSLGWVSOUST-UHFFFAOYSA-N 1 1 394.563 4.184 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000183448559 822476574 /nfs/dbraw/zinc/47/65/74/822476574.db2.gz MTXQQFRUOVIOFQ-HZPDHXFCSA-N 1 1 377.504 4.387 20 0 GIADMO COc1ccc(C[N@@H+](C)Cn2cnc3cc(F)c(F)cc32)cc1OC(F)F ZINC000046478177 822476940 /nfs/dbraw/zinc/47/69/40/822476940.db2.gz YDXUHINHVRXTFM-UHFFFAOYSA-N 1 1 383.345 4.014 20 0 GIADMO COC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1)C1CC1 ZINC000183453008 822477194 /nfs/dbraw/zinc/47/71/94/822477194.db2.gz FSZQDPZQYZMLOM-IBGZPJMESA-N 1 1 387.549 4.268 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179399737 822477230 /nfs/dbraw/zinc/47/72/30/822477230.db2.gz WWVXENPROPHWKH-GJZGRUSLSA-N 1 1 399.560 4.091 20 0 GIADMO CSCCc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183459059 822478170 /nfs/dbraw/zinc/47/81/70/822478170.db2.gz CQHRGGQUUKPSTD-WMZOPIPTSA-N 1 1 375.582 4.367 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc2c(c1)OCO2 ZINC000046504082 822479013 /nfs/dbraw/zinc/47/90/13/822479013.db2.gz DRBLDCFXBMMMGD-UHFFFAOYSA-N 1 1 378.831 4.059 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000179417059 822479469 /nfs/dbraw/zinc/47/94/69/822479469.db2.gz LSVSEKCQGGELOE-OAHLLOKOSA-N 1 1 396.354 4.080 20 0 GIADMO Cc1ncsc1C[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000179425381 822480577 /nfs/dbraw/zinc/48/05/77/822480577.db2.gz IRYAKHOIJAJHIN-UHFFFAOYSA-N 1 1 383.311 4.007 20 0 GIADMO Cc1ncsc1C[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000179425381 822480579 /nfs/dbraw/zinc/48/05/79/822480579.db2.gz IRYAKHOIJAJHIN-UHFFFAOYSA-N 1 1 383.311 4.007 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(N(C)C)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183475385 822481161 /nfs/dbraw/zinc/48/11/61/822481161.db2.gz ZDDJHTVALQQIRT-HUUCEWRRSA-N 1 1 378.948 4.181 20 0 GIADMO CN(Cc1c(F)cccc1F)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000454493017 822484294 /nfs/dbraw/zinc/48/42/94/822484294.db2.gz VNMQGWGBYYAYIM-YQQQUEKLSA-N 1 1 399.485 4.302 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccccc2SC(F)F)C2CC2)n1 ZINC000183498129 822486339 /nfs/dbraw/zinc/48/63/39/822486339.db2.gz AYBOKIGIUCCQFO-OAHLLOKOSA-N 1 1 383.489 4.446 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@@H](CO)CC(C)(C)C)c1 ZINC000454509141 822487332 /nfs/dbraw/zinc/48/73/32/822487332.db2.gz MVMQPNBESWIUJM-LJQANCHMSA-N 1 1 386.540 4.316 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@H](CO)CC(C)(C)C)c1 ZINC000454509140 822487369 /nfs/dbraw/zinc/48/73/69/822487369.db2.gz MVMQPNBESWIUJM-IBGZPJMESA-N 1 1 386.540 4.316 20 0 GIADMO CCN(C(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1)[C@@H](C)c1ccc(F)cc1 ZINC000183511484 822488156 /nfs/dbraw/zinc/48/81/56/822488156.db2.gz AGABDEJLHCQQFU-LIRRHRJNSA-N 1 1 375.513 4.241 20 0 GIADMO CCC(CC)n1nc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1C ZINC000183513265 822488370 /nfs/dbraw/zinc/48/83/70/822488370.db2.gz NSYJOPJFYKMEEE-KRWDZBQOSA-N 1 1 384.524 4.198 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179478854 822488634 /nfs/dbraw/zinc/48/86/34/822488634.db2.gz WVNKINULSLMAMU-PZJWPPBQSA-N 1 1 394.519 4.156 20 0 GIADMO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000046586725 822488706 /nfs/dbraw/zinc/48/87/06/822488706.db2.gz ICMWEGYVEAKNLW-MRXNPFEDSA-N 1 1 378.472 4.414 20 0 GIADMO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000046586725 822488708 /nfs/dbraw/zinc/48/87/08/822488708.db2.gz ICMWEGYVEAKNLW-MRXNPFEDSA-N 1 1 378.472 4.414 20 0 GIADMO CCN(c1ccc(NC(=O)C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1)C(C)C ZINC000183516348 822488839 /nfs/dbraw/zinc/48/88/39/822488839.db2.gz YIUBPDNVQVHIGD-FQEVSTJZSA-N 1 1 386.565 4.366 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(F)ccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183516931 822488852 /nfs/dbraw/zinc/48/88/52/822488852.db2.gz SZTJWVFBIPJUCB-CHWSQXEVSA-N 1 1 398.320 4.363 20 0 GIADMO Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCc2ccccc2)c1 ZINC000454520712 822490497 /nfs/dbraw/zinc/49/04/97/822490497.db2.gz LOAYWXWMIDOMEC-IHWFROFDSA-N 1 1 379.504 4.321 20 0 GIADMO C[C@H](NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1cccc(OC(F)F)c1 ZINC000046609386 822491788 /nfs/dbraw/zinc/49/17/88/822491788.db2.gz UULWRZFVELHMGE-HOTGVXAUSA-N 1 1 383.483 4.160 20 0 GIADMO C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cccc(OC(F)F)c1 ZINC000046611336 822491899 /nfs/dbraw/zinc/49/18/99/822491899.db2.gz BAFYAVRHYDFTTG-HNAYVOBHSA-N 1 1 389.446 4.047 20 0 GIADMO C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(OC(F)F)c1 ZINC000046611336 822491900 /nfs/dbraw/zinc/49/19/00/822491900.db2.gz BAFYAVRHYDFTTG-HNAYVOBHSA-N 1 1 389.446 4.047 20 0 GIADMO C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000046613269 822492552 /nfs/dbraw/zinc/49/25/52/822492552.db2.gz HXPYWVFBEHNSEZ-HNAYVOBHSA-N 1 1 389.446 4.047 20 0 GIADMO C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000046613269 822492553 /nfs/dbraw/zinc/49/25/53/822492553.db2.gz HXPYWVFBEHNSEZ-HNAYVOBHSA-N 1 1 389.446 4.047 20 0 GIADMO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000046612961 822492575 /nfs/dbraw/zinc/49/25/75/822492575.db2.gz VLWHKBVSRXBBOZ-HOTGVXAUSA-N 1 1 383.483 4.303 20 0 GIADMO CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183544320 822492640 /nfs/dbraw/zinc/49/26/40/822492640.db2.gz GXHTZFKDVQJIBJ-YLJYHZDGSA-N 1 1 387.549 4.158 20 0 GIADMO Clc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)co2)c1 ZINC000179510422 822493456 /nfs/dbraw/zinc/49/34/56/822493456.db2.gz LJEFHBXXRXBGBN-OAHLLOKOSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)co2)c1 ZINC000179510422 822493458 /nfs/dbraw/zinc/49/34/58/822493458.db2.gz LJEFHBXXRXBGBN-OAHLLOKOSA-N 1 1 383.883 4.370 20 0 GIADMO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183553547 822494194 /nfs/dbraw/zinc/49/41/94/822494194.db2.gz LFIVCQYSRZFNMB-SJCJKPOMSA-N 1 1 397.500 4.468 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)C2CC2)n1 ZINC000183561009 822494921 /nfs/dbraw/zinc/49/49/21/822494921.db2.gz CKQJQVRKQMYZDO-HNNXBMFYSA-N 1 1 383.489 4.446 20 0 GIADMO Clc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)o2)cc1 ZINC000179516899 822495116 /nfs/dbraw/zinc/49/51/16/822495116.db2.gz MFENMIZYYFKJAA-HNNXBMFYSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1ccc(-c2cnc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)o2)cc1 ZINC000179516899 822495118 /nfs/dbraw/zinc/49/51/18/822495118.db2.gz MFENMIZYYFKJAA-HNNXBMFYSA-N 1 1 383.883 4.370 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CCCC1(F)F ZINC000454552258 822495772 /nfs/dbraw/zinc/49/57/72/822495772.db2.gz PEHLXRLJGHKNDX-GOSISDBHSA-N 1 1 391.462 4.146 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CCCC1(F)F ZINC000454552258 822495774 /nfs/dbraw/zinc/49/57/74/822495774.db2.gz PEHLXRLJGHKNDX-GOSISDBHSA-N 1 1 391.462 4.146 20 0 GIADMO CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000454553514 822495942 /nfs/dbraw/zinc/49/59/42/822495942.db2.gz QUUHFVYRUVZIHR-FGZHOGPDSA-N 1 1 399.535 4.059 20 0 GIADMO CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000454553514 822495945 /nfs/dbraw/zinc/49/59/45/822495945.db2.gz QUUHFVYRUVZIHR-FGZHOGPDSA-N 1 1 399.535 4.059 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-n2cccn2)c1 ZINC000183569465 822496228 /nfs/dbraw/zinc/49/62/28/822496228.db2.gz QAYGLJSQHPTZEW-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2cnc3ccc(F)cc3c2)CC[N@H+]1Cc1ccccc1 ZINC000179521429 822496342 /nfs/dbraw/zinc/49/63/42/822496342.db2.gz RUGDVKHZOFAPDF-HTAPYJJXSA-N 1 1 391.490 4.499 20 0 GIADMO CCCNc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000183589819 822498285 /nfs/dbraw/zinc/49/82/85/822498285.db2.gz YCHZEUYHVROPOR-QZTJIDSGSA-N 1 1 381.520 4.370 20 0 GIADMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)cc1 ZINC000179533804 822498741 /nfs/dbraw/zinc/49/87/41/822498741.db2.gz NSXXXDBOMFPKFC-UHFFFAOYSA-N 1 1 375.472 4.040 20 0 GIADMO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)cc1 ZINC000179533804 822498742 /nfs/dbraw/zinc/49/87/42/822498742.db2.gz NSXXXDBOMFPKFC-UHFFFAOYSA-N 1 1 375.472 4.040 20 0 GIADMO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183605638 822500376 /nfs/dbraw/zinc/50/03/76/822500376.db2.gz GSXBSGXAQHSOBC-UYAOXDASSA-N 1 1 385.483 4.299 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)s1 ZINC000183609332 822500761 /nfs/dbraw/zinc/50/07/61/822500761.db2.gz FJUCLUSBVJDCKS-ZDUSSCGKSA-N 1 1 398.454 4.024 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)s1 ZINC000183609332 822500762 /nfs/dbraw/zinc/50/07/62/822500762.db2.gz FJUCLUSBVJDCKS-ZDUSSCGKSA-N 1 1 398.454 4.024 20 0 GIADMO CCn1nc(C)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1C ZINC000179546001 822500938 /nfs/dbraw/zinc/50/09/38/822500938.db2.gz RHSLIKCURXAVCQ-LEWJYISDSA-N 1 1 395.551 4.038 20 0 GIADMO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000179550084 822501527 /nfs/dbraw/zinc/50/15/27/822501527.db2.gz HJONSZNSEDXTHI-UHFFFAOYSA-N 1 1 393.300 4.408 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(COC4CCCCC4)c3)C2)C1 ZINC000454612604 822506220 /nfs/dbraw/zinc/50/62/20/822506220.db2.gz XQGKSRWILUXSBO-QHCPKHFHSA-N 1 1 385.552 4.486 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1noc2ccccc12 ZINC000046715468 822508944 /nfs/dbraw/zinc/50/89/44/822508944.db2.gz QRIAOSLHFOEPNI-QGZVFWFLSA-N 1 1 377.488 4.061 20 0 GIADMO CC[C@H](CNc1ccccc1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000454635337 822509904 /nfs/dbraw/zinc/50/99/04/822509904.db2.gz WYMMOZWRGAYFCO-LJQANCHMSA-N 1 1 398.576 4.248 20 0 GIADMO CN(Cc1ccccc1)c1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000454634895 822509956 /nfs/dbraw/zinc/50/99/56/822509956.db2.gz TWQRWRKMHIVQNJ-IHWFROFDSA-N 1 1 378.520 4.070 20 0 GIADMO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(OC(F)F)c1 ZINC000179598214 822510048 /nfs/dbraw/zinc/51/00/48/822510048.db2.gz FVWLMVYIBHJDDJ-KPZWWZAWSA-N 1 1 378.394 4.098 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000046750662 822512821 /nfs/dbraw/zinc/51/28/21/822512821.db2.gz QLEQCNZJYXKSPK-SFHVURJKSA-N 1 1 397.567 4.107 20 0 GIADMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CC3 ZINC000046751177 822512925 /nfs/dbraw/zinc/51/29/25/822512925.db2.gz CCVCLLLYAYQFLZ-GOSISDBHSA-N 1 1 382.552 4.199 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000046752917 822513310 /nfs/dbraw/zinc/51/33/10/822513310.db2.gz UMIDILKZTDWBPX-INIZCTEOSA-N 1 1 396.373 4.103 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)c1ccc(F)cc1F ZINC000179618919 822514020 /nfs/dbraw/zinc/51/40/20/822514020.db2.gz NYQNJQZXXPDQSD-HNNXBMFYSA-N 1 1 375.444 4.278 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc(Br)c1OC ZINC000183709902 822515156 /nfs/dbraw/zinc/51/51/56/822515156.db2.gz OWWKXBFORKHALN-ZDUSSCGKSA-N 1 1 379.298 4.444 20 0 GIADMO COc1ccc(C(=O)C2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)cc1 ZINC000179653279 822520646 /nfs/dbraw/zinc/52/06/46/822520646.db2.gz OOHFXNDHTCQXHO-UHFFFAOYSA-N 1 1 395.528 4.377 20 0 GIADMO Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454720492 822523178 /nfs/dbraw/zinc/52/31/78/822523178.db2.gz QPQOOOYPDSWOKJ-LQBOVUBWSA-N 1 1 379.504 4.303 20 0 GIADMO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)c1 ZINC000183766082 822525220 /nfs/dbraw/zinc/52/52/20/822525220.db2.gz ORTHSWOCBDGPFC-LBPRGKRZSA-N 1 1 394.302 4.032 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3c(C)cccc3C)CC[N@H+]2C2CC2)c1 ZINC000183767820 822525413 /nfs/dbraw/zinc/52/54/13/822525413.db2.gz PKGOHWPFIJSKTM-RBBKRZOGSA-N 1 1 379.504 4.412 20 0 GIADMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000046865779 822525471 /nfs/dbraw/zinc/52/54/71/822525471.db2.gz XGXGCFXLZRKQMU-AWEZNQCLSA-N 1 1 388.414 4.343 20 0 GIADMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000046865779 822525473 /nfs/dbraw/zinc/52/54/73/822525473.db2.gz XGXGCFXLZRKQMU-AWEZNQCLSA-N 1 1 388.414 4.343 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3c(C)cccc3C)CC[N@H+]2C2CC2)c1 ZINC000183767807 822525498 /nfs/dbraw/zinc/52/54/98/822525498.db2.gz PKGOHWPFIJSKTM-IFMALSPDSA-N 1 1 379.504 4.412 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)NCCCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454741497 822526308 /nfs/dbraw/zinc/52/63/08/822526308.db2.gz SXFYBLJYPSDSHD-BBRMVZONSA-N 1 1 391.865 4.207 20 0 GIADMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3nnc4ccccn43)s2)cc1 ZINC000183788498 822528233 /nfs/dbraw/zinc/52/82/33/822528233.db2.gz ZTFGIHDBMJHBCJ-ZDUSSCGKSA-N 1 1 379.489 4.021 20 0 GIADMO Cc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1-c1ncco1 ZINC000179694279 822528845 /nfs/dbraw/zinc/52/88/45/822528845.db2.gz QSNVFRZLEVANGL-QGZVFWFLSA-N 1 1 378.476 4.292 20 0 GIADMO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000179695126 822529369 /nfs/dbraw/zinc/52/93/69/822529369.db2.gz HWWWLOAXTPVSBF-OAHLLOKOSA-N 1 1 390.911 4.013 20 0 GIADMO C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454766962 822530165 /nfs/dbraw/zinc/53/01/65/822530165.db2.gz KOHODNUOCJTBQG-DWLFOUALSA-N 1 1 393.531 4.427 20 0 GIADMO CCC[N@H+](CCc1cccs1)Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000183813625 822531078 /nfs/dbraw/zinc/53/10/78/822531078.db2.gz IPVKAYXIRVIFJF-UHFFFAOYSA-N 1 1 387.578 4.470 20 0 GIADMO CCC[N@@H+](CCc1cccs1)Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000183813625 822531080 /nfs/dbraw/zinc/53/10/80/822531080.db2.gz IPVKAYXIRVIFJF-UHFFFAOYSA-N 1 1 387.578 4.470 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)C2)C1 ZINC000454775683 822531718 /nfs/dbraw/zinc/53/17/18/822531718.db2.gz QVMGTQZCSVVGEW-INIZCTEOSA-N 1 1 375.822 4.308 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1OCc1cccnc1 ZINC000179708265 822532241 /nfs/dbraw/zinc/53/22/41/822532241.db2.gz UXXNVFCVJSYWIV-OAQYLSRUSA-N 1 1 377.488 4.345 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2)C1 ZINC000046934484 822532585 /nfs/dbraw/zinc/53/25/85/822532585.db2.gz SXUWAONWBLAODJ-QGZVFWFLSA-N 1 1 399.560 4.129 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCNC(=O)c3ccsc3)cc2)C1 ZINC000046934485 822532607 /nfs/dbraw/zinc/53/26/07/822532607.db2.gz SXUWAONWBLAODJ-KRWDZBQOSA-N 1 1 399.560 4.129 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)o2)cc1 ZINC000046989772 822536068 /nfs/dbraw/zinc/53/60/68/822536068.db2.gz FFQBUVBJTQRCBO-IBGZPJMESA-N 1 1 383.536 4.353 20 0 GIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH+]1CCC(C)(O)CC1 ZINC000179726396 822536235 /nfs/dbraw/zinc/53/62/35/822536235.db2.gz HEEVLVVZGYXWMZ-UHFFFAOYSA-N 1 1 387.833 4.200 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](CCCO)c3ccccc3)cs2)cc1 ZINC000179729201 822536667 /nfs/dbraw/zinc/53/66/67/822536667.db2.gz VRPHDBVTIYZFBC-HXUWFJFHSA-N 1 1 396.512 4.200 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000046997866 822536756 /nfs/dbraw/zinc/53/67/56/822536756.db2.gz UUYNNJOGJRNPKP-NHCUHLMSSA-N 1 1 387.483 4.365 20 0 GIADMO C[C@H](c1ccc(NC(=O)NC[C@H]2CCCCC2(F)F)cc1)[NH+]1CCOCC1 ZINC000454816748 822539978 /nfs/dbraw/zinc/53/99/78/822539978.db2.gz UCQCFZDVXHSVDH-NVXWUHKLSA-N 1 1 381.467 4.027 20 0 GIADMO CCc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C)c(NC(C)=O)c2)cc1 ZINC000183883204 822540245 /nfs/dbraw/zinc/54/02/45/822540245.db2.gz SSGFPWFMOYIGQP-QHCPKHFHSA-N 1 1 381.520 4.001 20 0 GIADMO COc1cc([C@H](C)[NH2+]C2(c3ccc(F)cc3F)CCC2)ccc1S(C)(=O)=O ZINC000179753070 822543154 /nfs/dbraw/zinc/54/31/54/822543154.db2.gz HBDGBCLXZDCXFB-ZDUSSCGKSA-N 1 1 395.471 4.107 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000179753322 822543387 /nfs/dbraw/zinc/54/33/87/822543387.db2.gz ATQZVIGFKPXFHR-UHFFFAOYSA-N 1 1 391.515 4.121 20 0 GIADMO C[N@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179753918 822543645 /nfs/dbraw/zinc/54/36/45/822543645.db2.gz KAMXBLPNNMKMPR-AZUAARDMSA-N 1 1 392.330 4.079 20 0 GIADMO C[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000179753918 822543647 /nfs/dbraw/zinc/54/36/47/822543647.db2.gz KAMXBLPNNMKMPR-AZUAARDMSA-N 1 1 392.330 4.079 20 0 GIADMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[nH]c2c1C(=O)CCC2 ZINC000047121274 822545704 /nfs/dbraw/zinc/54/57/04/822545704.db2.gz CUKXADMCHHXXAQ-MRXNPFEDSA-N 1 1 393.531 4.147 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000179761487 822545773 /nfs/dbraw/zinc/54/57/73/822545773.db2.gz XIRONALAVDGWFW-UHFFFAOYSA-N 1 1 396.531 4.186 20 0 GIADMO CC(=O)CCc1ccc(OCC(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cc1 ZINC000179767093 822547944 /nfs/dbraw/zinc/54/79/44/822547944.db2.gz ODOFSRSUKTXVOD-UHFFFAOYSA-N 1 1 394.515 4.197 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2)cs1 ZINC000047142966 822548087 /nfs/dbraw/zinc/54/80/87/822548087.db2.gz KHCPPXUGCYOHRP-HNNXBMFYSA-N 1 1 389.590 4.348 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2cccc(Br)c2)s1 ZINC000183927093 822548175 /nfs/dbraw/zinc/54/81/75/822548175.db2.gz MACPQHBOLSSDAE-NSHDSACASA-N 1 1 382.327 4.066 20 0 GIADMO COc1cc(CN2CCC[N@H+](C3CCCC3)CC2)ccc1OCc1ccncc1 ZINC000179769286 822549016 /nfs/dbraw/zinc/54/90/16/822549016.db2.gz WBVHVJYFPPKRTA-UHFFFAOYSA-N 1 1 395.547 4.120 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000183932007 822549452 /nfs/dbraw/zinc/54/94/52/822549452.db2.gz XCNZEOKNUIIAGZ-RYUDHWBXSA-N 1 1 386.348 4.363 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000183932007 822549453 /nfs/dbraw/zinc/54/94/53/822549453.db2.gz XCNZEOKNUIIAGZ-RYUDHWBXSA-N 1 1 386.348 4.363 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000047174317 822551139 /nfs/dbraw/zinc/55/11/39/822551139.db2.gz GGSUMHWQTVMLAS-UHFFFAOYSA-N 1 1 393.447 4.175 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000179780303 822551526 /nfs/dbraw/zinc/55/15/26/822551526.db2.gz FLRJXPHDNKMNJY-MRXNPFEDSA-N 1 1 380.467 4.330 20 0 GIADMO C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000179783361 822552130 /nfs/dbraw/zinc/55/21/30/822552130.db2.gz MFZMFLGOMCHWIJ-CYGHRXIMSA-N 1 1 397.485 4.358 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000047187666 822552281 /nfs/dbraw/zinc/55/22/81/822552281.db2.gz YEVFJLUECSTPQP-IBGZPJMESA-N 1 1 393.531 4.323 20 0 GIADMO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(CN(C)C)CCCC1 ZINC000183953154 822552894 /nfs/dbraw/zinc/55/28/94/822552894.db2.gz QSXIYYDVBFXQDP-HNNXBMFYSA-N 1 1 385.474 4.134 20 0 GIADMO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(CN(C)C)CCCC1 ZINC000183953175 822552977 /nfs/dbraw/zinc/55/29/77/822552977.db2.gz QSXIYYDVBFXQDP-OAHLLOKOSA-N 1 1 385.474 4.134 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC)c1cc(F)ccc1F ZINC000179789262 822553328 /nfs/dbraw/zinc/55/33/28/822553328.db2.gz ZSXPLOZHYCQPKG-SJKOYZFVSA-N 1 1 378.419 4.050 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2ccc(Br)cc2)s1 ZINC000183973612 822556380 /nfs/dbraw/zinc/55/63/80/822556380.db2.gz PGWBTCMDPDMBIZ-LLVKDONJSA-N 1 1 382.327 4.066 20 0 GIADMO C[C@H](C[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1)c1nccs1 ZINC000183985378 822558297 /nfs/dbraw/zinc/55/82/97/822558297.db2.gz PTLWVAFOHNQUHC-SECBINFHSA-N 1 1 399.339 4.253 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1)c1nccs1 ZINC000183985378 822558300 /nfs/dbraw/zinc/55/83/00/822558300.db2.gz PTLWVAFOHNQUHC-SECBINFHSA-N 1 1 399.339 4.253 20 0 GIADMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000183993686 822560029 /nfs/dbraw/zinc/56/00/29/822560029.db2.gz LPYGSXUWDYQWKW-PCCBWWKXSA-N 1 1 391.600 4.019 20 0 GIADMO C[N@H+](Cc1ccccc1NC(=O)N1CCN(CC2CC2)CC1)C1CCCCC1 ZINC000047351534 822569922 /nfs/dbraw/zinc/56/99/22/822569922.db2.gz IUZDXSNUMMJBKQ-UHFFFAOYSA-N 1 1 384.568 4.011 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CCN(CC2CC2)CC1)C1CCCCC1 ZINC000047351534 822569926 /nfs/dbraw/zinc/56/99/26/822569926.db2.gz IUZDXSNUMMJBKQ-UHFFFAOYSA-N 1 1 384.568 4.011 20 0 GIADMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000179892969 822572765 /nfs/dbraw/zinc/57/27/65/822572765.db2.gz HXHNFUKYPQXFPM-OFQRWUPVSA-N 1 1 376.497 4.299 20 0 GIADMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000179892839 822572777 /nfs/dbraw/zinc/57/27/77/822572777.db2.gz OVNWQQBYUHLZHY-HOTGVXAUSA-N 1 1 385.483 4.112 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cn1 ZINC000047385615 822573278 /nfs/dbraw/zinc/57/32/78/822573278.db2.gz HPDRRDOAKPEHEI-UHFFFAOYSA-N 1 1 388.452 4.121 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)ccc1O[C@H](C)C(=O)N(C)C ZINC000179906468 822574759 /nfs/dbraw/zinc/57/47/59/822574759.db2.gz JBUHFTMKTOZEQK-DYESRHJHSA-N 1 1 396.531 4.060 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccnc2C(F)(F)F)CC1 ZINC000179929812 822578825 /nfs/dbraw/zinc/57/88/25/822578825.db2.gz PJXGOVSISYGKJE-OAHLLOKOSA-N 1 1 383.458 4.217 20 0 GIADMO O=C(c1cc(-c2ccccc2Cl)on1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000047444173 822579804 /nfs/dbraw/zinc/57/98/04/822579804.db2.gz NPWIZKNKVMDTCK-UHFFFAOYSA-N 1 1 395.890 4.343 20 0 GIADMO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000184149091 822585963 /nfs/dbraw/zinc/58/59/63/822585963.db2.gz PBSZWFDMJZXUDN-VXGBXAGGSA-N 1 1 382.327 4.200 20 0 GIADMO Cn1cc([C@@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)c2cccc(F)c2)cn1 ZINC000179961068 822586103 /nfs/dbraw/zinc/58/61/03/822586103.db2.gz NXRHUXKCWDLPTQ-FPOVZHCZSA-N 1 1 384.524 4.137 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Br)c4ccccc34)C2)C1 ZINC000455081335 822586784 /nfs/dbraw/zinc/58/67/84/822586784.db2.gz ZFFBBDHTXHUWBF-LJQANCHMSA-N 1 1 388.309 4.162 20 0 GIADMO CC(C)(C)OC(=O)N1CCC([C@H]([NH2+]Cc2cc[nH]n2)c2ccc(F)cc2)CC1 ZINC000184156342 822587173 /nfs/dbraw/zinc/58/71/73/822587173.db2.gz NERMZJLDBPURII-LJQANCHMSA-N 1 1 388.487 4.027 20 0 GIADMO COc1cccc([C@@H](CN[C@@H](C)c2nc3ccc(Cl)cc3n2C)[NH+](C)C)c1 ZINC000179968556 822587587 /nfs/dbraw/zinc/58/75/87/822587587.db2.gz IUKQYHKTPSTRDZ-VBKZILBWSA-N 1 1 386.927 4.189 20 0 GIADMO Cc1ccc(NC(=S)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000047567478 822591472 /nfs/dbraw/zinc/59/14/72/822591472.db2.gz ITSRVYKSAKJJDZ-HDICACEKSA-N 1 1 383.561 4.091 20 0 GIADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCC(C)(F)F ZINC000455125423 822592785 /nfs/dbraw/zinc/59/27/85/822592785.db2.gz GNCKJVCDFAKCID-QFBILLFUSA-N 1 1 396.526 4.067 20 0 GIADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCC(C)(F)F ZINC000455125423 822592789 /nfs/dbraw/zinc/59/27/89/822592789.db2.gz GNCKJVCDFAKCID-QFBILLFUSA-N 1 1 396.526 4.067 20 0 GIADMO Cc1csc([C@H](C)[NH2+]CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)n1 ZINC000184188290 822592981 /nfs/dbraw/zinc/59/29/81/822592981.db2.gz JJTSKUIQBSQDGW-MGPUTAFESA-N 1 1 397.569 4.338 20 0 GIADMO Cc1csc([C@@H](C)[NH2+]CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)n1 ZINC000184188234 822593002 /nfs/dbraw/zinc/59/30/02/822593002.db2.gz JJTSKUIQBSQDGW-QRWLVFNGSA-N 1 1 397.569 4.338 20 0 GIADMO CC(F)(F)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455126865 822593087 /nfs/dbraw/zinc/59/30/87/822593087.db2.gz MSOMYHQPWJVNFX-RTBURBONSA-N 1 1 379.495 4.118 20 0 GIADMO COc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC(C)C ZINC000184210442 822596662 /nfs/dbraw/zinc/59/66/62/822596662.db2.gz WNOQFNAVAAVFAS-KRWDZBQOSA-N 1 1 377.529 4.259 20 0 GIADMO C[C@H]1C[C@H](NC(=O)NCc2ccc(C(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000184210410 822596686 /nfs/dbraw/zinc/59/66/86/822596686.db2.gz JCRWPMQFTCMPIS-OXJNMPFZSA-N 1 1 387.474 4.477 20 0 GIADMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(-c4cccc(F)c4)n3)ccc2NC1=O ZINC000180019217 822597928 /nfs/dbraw/zinc/59/79/28/822597928.db2.gz GGVPHZLDCKIXNT-DJJJIMSYSA-N 1 1 395.434 4.441 20 0 GIADMO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180023246 822598756 /nfs/dbraw/zinc/59/87/56/822598756.db2.gz RIZFCZHTSWDKEI-DNVCBOLYSA-N 1 1 396.922 4.241 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)c2cccc(F)c2)cn1 ZINC000180028023 822600235 /nfs/dbraw/zinc/60/02/35/822600235.db2.gz MUQNDUQVDGKINQ-SFHVURJKSA-N 1 1 379.357 4.337 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000455164498 822600372 /nfs/dbraw/zinc/60/03/72/822600372.db2.gz JZMHNYSGFHBZRE-UXHICEINSA-N 1 1 393.522 4.366 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCC1(F)F ZINC000455164500 822600450 /nfs/dbraw/zinc/60/04/50/822600450.db2.gz JZMHNYSGFHBZRE-VQTJNVASSA-N 1 1 393.522 4.366 20 0 GIADMO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000180029933 822600658 /nfs/dbraw/zinc/60/06/58/822600658.db2.gz OTQTWDZNTVEMBM-OAQYLSRUSA-N 1 1 380.467 4.033 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCCc2ccccc21 ZINC000047715754 822603343 /nfs/dbraw/zinc/60/33/43/822603343.db2.gz LWSFLDNDUSSGGX-HXUWFJFHSA-N 1 1 384.470 4.166 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1nnnn1-c1ccccc1 ZINC000180061620 822606664 /nfs/dbraw/zinc/60/66/64/822606664.db2.gz LGSZFGURVMRRNA-FZKQIMNGSA-N 1 1 387.409 4.483 20 0 GIADMO Clc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1Br ZINC000180070916 822609377 /nfs/dbraw/zinc/60/93/77/822609377.db2.gz XAJKLBJUYJKSEU-CYBMUJFWSA-N 1 1 395.732 4.020 20 0 GIADMO Clc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1Br ZINC000180070916 822609378 /nfs/dbraw/zinc/60/93/78/822609378.db2.gz XAJKLBJUYJKSEU-CYBMUJFWSA-N 1 1 395.732 4.020 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000180072446 822609774 /nfs/dbraw/zinc/60/97/74/822609774.db2.gz OFDNZQXHKXAVQS-VGSWGCGISA-N 1 1 395.938 4.302 20 0 GIADMO Fc1ccc(C([NH2+]Cc2cccnc2N2CCOCC2)c2ccc(F)cc2)cc1 ZINC000180081087 822611326 /nfs/dbraw/zinc/61/13/26/822611326.db2.gz NGORMIYNEXDHHR-UHFFFAOYSA-N 1 1 395.453 4.076 20 0 GIADMO CCC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)C(=O)N1CCc2sccc2C1 ZINC000180084940 822612101 /nfs/dbraw/zinc/61/21/01/822612101.db2.gz AAEVSLVUKHUUMI-MAUKXSAKSA-N 1 1 396.560 4.039 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(Cl)c1 ZINC000455227052 822612550 /nfs/dbraw/zinc/61/25/50/822612550.db2.gz SLSBIAGUIKDUSZ-OAHLLOKOSA-N 1 1 379.932 4.465 20 0 GIADMO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)c1 ZINC000184318475 822613871 /nfs/dbraw/zinc/61/38/71/822613871.db2.gz ZPPKQCLYWKQCIU-STQMWFEESA-N 1 1 377.282 4.336 20 0 GIADMO CCN(CC)[C@@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccsc1 ZINC000180107271 822616508 /nfs/dbraw/zinc/61/65/08/822616508.db2.gz WEJKUZBTJQMTAJ-SFTDATJTSA-N 1 1 386.540 4.383 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3OCC3CCC3)C2)C1 ZINC000455249382 822617570 /nfs/dbraw/zinc/61/75/70/822617570.db2.gz IGFZZFJAXAUMJA-FQEVSTJZSA-N 1 1 377.916 4.078 20 0 GIADMO COc1cc(-c2noc(C[N@@H+]([C@H](C)C3CC3)C3CC3)n2)ccc1OC(F)F ZINC000047909265 822618855 /nfs/dbraw/zinc/61/88/55/822618855.db2.gz AKITUCOBTIPYCP-LLVKDONJSA-N 1 1 379.407 4.110 20 0 GIADMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1Oc1ccncc1 ZINC000180122071 822619707 /nfs/dbraw/zinc/61/97/07/822619707.db2.gz GBTQGSDXVJAMMO-FYYLOGMGSA-N 1 1 387.483 4.358 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cc3c(cc2C)OCO3)cc1 ZINC000180126686 822620864 /nfs/dbraw/zinc/62/08/64/822620864.db2.gz INFOPPCLBPZUCC-CQSZACIVSA-N 1 1 378.432 4.101 20 0 GIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000047949012 822622175 /nfs/dbraw/zinc/62/21/75/822622175.db2.gz BKFPVWRJJMRKJU-SFHVURJKSA-N 1 1 394.519 4.243 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000048040532 822626268 /nfs/dbraw/zinc/62/62/68/822626268.db2.gz DLTLFWYMVQXPQC-SFHVURJKSA-N 1 1 376.504 4.434 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000048051967 822627223 /nfs/dbraw/zinc/62/72/23/822627223.db2.gz AQVVFYQHEMHJDG-UHFFFAOYSA-N 1 1 386.309 4.172 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)o2)cc1 ZINC000180154816 822628338 /nfs/dbraw/zinc/62/83/38/822628338.db2.gz BAZHVTLYSDVZQL-GBXCKJPGSA-N 1 1 389.499 4.144 20 0 GIADMO Cc1c(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cccc1N(C)C ZINC000180159282 822629456 /nfs/dbraw/zinc/62/94/56/822629456.db2.gz KMLLLNKYLGEVNB-UHFFFAOYSA-N 1 1 394.563 4.437 20 0 GIADMO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000184407090 822629480 /nfs/dbraw/zinc/62/94/80/822629480.db2.gz MNZBTTOCDFEKMS-IRXDYDNUSA-N 1 1 375.538 4.158 20 0 GIADMO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cnn1-c1ccccc1Cl ZINC000180166162 822630833 /nfs/dbraw/zinc/63/08/33/822630833.db2.gz GYVOTCIPWBJVLN-PZJWPPBQSA-N 1 1 394.906 4.009 20 0 GIADMO Cc1c(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1N(C)C ZINC000180166695 822631000 /nfs/dbraw/zinc/63/10/00/822631000.db2.gz ZHEIUAWCGNQFTG-HXUWFJFHSA-N 1 1 380.536 4.047 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)CCc2cc(Br)cs2)[C@@H]1c1ccccc1 ZINC000180178722 822633367 /nfs/dbraw/zinc/63/33/67/822633367.db2.gz SEVWPBVJNANTRO-WMZOPIPTSA-N 1 1 393.350 4.005 20 0 GIADMO Cc1nc(-c2ccccc2NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cs1 ZINC000455316717 822633440 /nfs/dbraw/zinc/63/34/40/822633440.db2.gz DNKHOWNWQUHAEZ-OAHLLOKOSA-N 1 1 384.549 4.457 20 0 GIADMO CN(Cc1ccccc1NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000455325166 822634581 /nfs/dbraw/zinc/63/45/81/822634581.db2.gz OMIIIDCPDWOSAG-UHFFFAOYSA-N 1 1 380.536 4.319 20 0 GIADMO C[C@@H](c1cnccn1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000184436123 822634829 /nfs/dbraw/zinc/63/48/29/822634829.db2.gz WXMHWFKGOIMGPG-INIZCTEOSA-N 1 1 382.508 4.223 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1nc(C)cs1 ZINC000184437274 822635043 /nfs/dbraw/zinc/63/50/43/822635043.db2.gz QBVXCMAWSCHGQL-GOSISDBHSA-N 1 1 397.548 4.242 20 0 GIADMO CC[C@H](c1ccncc1)N(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000455343294 822637553 /nfs/dbraw/zinc/63/75/53/822637553.db2.gz ZGCOHWJGVVXAGD-OAQYLSRUSA-N 1 1 380.536 4.229 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048139351 822637825 /nfs/dbraw/zinc/63/78/25/822637825.db2.gz XHJZDXKYMOQSTR-QGZVFWFLSA-N 1 1 376.520 4.202 20 0 GIADMO C[C@H](CN1CCCC1=O)[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000180203494 822638783 /nfs/dbraw/zinc/63/87/83/822638783.db2.gz TWZKBRBWTMWGMK-QRWLVFNGSA-N 1 1 387.321 4.139 20 0 GIADMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000180258306 822649622 /nfs/dbraw/zinc/64/96/22/822649622.db2.gz XOPVFCJADWDAMM-ZDUSSCGKSA-N 1 1 378.257 4.299 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000184521253 822650125 /nfs/dbraw/zinc/65/01/25/822650125.db2.gz YJFLWDIDGSLIHA-CRAIPNDOSA-N 1 1 393.512 4.101 20 0 GIADMO CCCc1c(NC(=O)NCCCCn2cc[nH+]c2C)cnn1-c1cccc(F)c1 ZINC000184523317 822650380 /nfs/dbraw/zinc/65/03/80/822650380.db2.gz LIUITDBLGSHPJS-UHFFFAOYSA-N 1 1 398.486 4.071 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)n3)c2C1 ZINC000180280243 822653913 /nfs/dbraw/zinc/65/39/13/822653913.db2.gz GAEDPTJXJMVIBC-UHFFFAOYSA-N 1 1 378.451 4.298 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)n3)c2C1 ZINC000180280243 822653914 /nfs/dbraw/zinc/65/39/14/822653914.db2.gz GAEDPTJXJMVIBC-UHFFFAOYSA-N 1 1 378.451 4.298 20 0 GIADMO CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000455449675 822656452 /nfs/dbraw/zinc/65/64/52/822656452.db2.gz USAFOHDPDBJONZ-DXJOGWAWSA-N 1 1 383.458 4.423 20 0 GIADMO Cc1cc(N2CCCCCC2)ccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000455465894 822659917 /nfs/dbraw/zinc/65/99/17/822659917.db2.gz RLAMPYKCPDQNMY-HSZRJFAPSA-N 1 1 384.568 4.325 20 0 GIADMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000048434341 822661742 /nfs/dbraw/zinc/66/17/42/822661742.db2.gz COFLXBYSBKPXGA-WIYYLYMNSA-N 1 1 394.515 4.204 20 0 GIADMO C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000455482507 822663228 /nfs/dbraw/zinc/66/32/28/822663228.db2.gz WIGAHCZUCRIQFD-LJFMXPCSSA-N 1 1 395.469 4.423 20 0 GIADMO Cn1ncc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)c1C(F)(F)F ZINC000180327875 822664274 /nfs/dbraw/zinc/66/42/74/822664274.db2.gz IZLPBGLZEUTIAL-QGZVFWFLSA-N 1 1 393.384 4.488 20 0 GIADMO Cc1c(-c2cc(C[N@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)on2)cnn1C ZINC000184628861 822668155 /nfs/dbraw/zinc/66/81/55/822668155.db2.gz UITLITBOQNVGMM-HNNXBMFYSA-N 1 1 397.548 4.098 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000048550708 822671741 /nfs/dbraw/zinc/67/17/41/822671741.db2.gz FAMVWRHNNSAESV-UHFFFAOYSA-N 1 1 377.492 4.034 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1F)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455540981 822672564 /nfs/dbraw/zinc/67/25/64/822672564.db2.gz MDHGTUZVSWKUPM-CVEARBPZSA-N 1 1 389.421 4.090 20 0 GIADMO C[C@H](c1nccs1)N1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000184666184 822672992 /nfs/dbraw/zinc/67/29/92/822672992.db2.gz RHYIQPINXBVBNU-QGZVFWFLSA-N 1 1 394.544 4.004 20 0 GIADMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)CC1 ZINC000180402103 822676016 /nfs/dbraw/zinc/67/60/16/822676016.db2.gz CDIVQVCGNQKUAS-FXAWDEMLSA-N 1 1 378.532 4.297 20 0 GIADMO COCCC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(Br)cc1 ZINC000180402853 822676211 /nfs/dbraw/zinc/67/62/11/822676211.db2.gz HUXPEHLITPEVQM-LJQANCHMSA-N 1 1 383.374 4.379 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)c1nc2c(s1)CCCC2 ZINC000180408047 822676566 /nfs/dbraw/zinc/67/65/66/822676566.db2.gz IIXWYYWOXBISKW-INIZCTEOSA-N 1 1 383.561 4.499 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1)c1cccc(N2CCOC2=O)c1 ZINC000184721757 822682057 /nfs/dbraw/zinc/68/20/57/822682057.db2.gz ZHYOSGIAEDTMKX-OAHLLOKOSA-N 1 1 396.878 4.333 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000455609104 822683839 /nfs/dbraw/zinc/68/38/39/822683839.db2.gz KIXMIKGJNBNODI-INIZCTEOSA-N 1 1 383.458 4.079 20 0 GIADMO CSCc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000184737674 822684218 /nfs/dbraw/zinc/68/42/18/822684218.db2.gz JBNVTKMTABHEMW-AWEZNQCLSA-N 1 1 375.563 4.179 20 0 GIADMO CSCc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000184737674 822684220 /nfs/dbraw/zinc/68/42/20/822684220.db2.gz JBNVTKMTABHEMW-AWEZNQCLSA-N 1 1 375.563 4.179 20 0 GIADMO CCC(CC)n1nc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C ZINC000180466488 822687178 /nfs/dbraw/zinc/68/71/78/822687178.db2.gz BWYUUVIDAOWZPQ-QGZVFWFLSA-N 1 1 388.581 4.256 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000455633284 822687361 /nfs/dbraw/zinc/68/73/61/822687361.db2.gz CIDGCDNIZOLNDX-LLVKDONJSA-N 1 1 379.810 4.044 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(Cl)ccc3OC(F)(F)F)CC[C@@H]21 ZINC000455634305 822687564 /nfs/dbraw/zinc/68/75/64/822687564.db2.gz DWPVTYFOFRCWSG-FZMZJTMJSA-N 1 1 391.821 4.187 20 0 GIADMO OC[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000184789618 822691334 /nfs/dbraw/zinc/69/13/34/822691334.db2.gz YMTTYAAUAVSGRG-QFIPXVFZSA-N 1 1 375.472 4.042 20 0 GIADMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3nnc(C4CCC4)n3C)s2)cc1 ZINC000184794437 822691750 /nfs/dbraw/zinc/69/17/50/822691750.db2.gz OJUWYJNGTKODPH-CYBMUJFWSA-N 1 1 397.548 4.374 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cnc(Cc2ccccc2F)s1 ZINC000184799786 822692516 /nfs/dbraw/zinc/69/25/16/822692516.db2.gz HAIWSKAXBRMEPL-QGZVFWFLSA-N 1 1 399.491 4.033 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2cccc(OC(F)F)c2)nnn1-c1ccc(F)cc1 ZINC000180504960 822692652 /nfs/dbraw/zinc/69/26/52/822692652.db2.gz CSEJBUVPPAJWGN-GFCCVEGCSA-N 1 1 376.382 4.167 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455656905 822692802 /nfs/dbraw/zinc/69/28/02/822692802.db2.gz CDSVNVSCVMYMPT-SIKLNZKXSA-N 1 1 393.531 4.319 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000180517374 822694766 /nfs/dbraw/zinc/69/47/66/822694766.db2.gz HVUMSYCFFRKINP-NRFANRHFSA-N 1 1 379.483 4.177 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000180517374 822694768 /nfs/dbraw/zinc/69/47/68/822694768.db2.gz HVUMSYCFFRKINP-NRFANRHFSA-N 1 1 379.483 4.177 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2cccc(OCC(F)F)c2)nnn1-c1ccc(F)cc1 ZINC000180527620 822696548 /nfs/dbraw/zinc/69/65/48/822696548.db2.gz PRZPMVVRWJDQCZ-CYBMUJFWSA-N 1 1 390.409 4.210 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000455674059 822697475 /nfs/dbraw/zinc/69/74/75/822697475.db2.gz OUEKEPQBNOXVNI-OAQYLSRUSA-N 1 1 381.520 4.352 20 0 GIADMO COc1ccc2cc(C[N@@H+]3CCOC[C@@H]3C[C@H](O)c3cccs3)ccc2c1 ZINC000180542858 822699142 /nfs/dbraw/zinc/69/91/42/822699142.db2.gz FFJUHOBLUYGOIA-FPOVZHCZSA-N 1 1 383.513 4.234 20 0 GIADMO COc1ccc2cc(C[N@H+]3CCOC[C@@H]3C[C@H](O)c3cccs3)ccc2c1 ZINC000180542858 822699145 /nfs/dbraw/zinc/69/91/45/822699145.db2.gz FFJUHOBLUYGOIA-FPOVZHCZSA-N 1 1 383.513 4.234 20 0 GIADMO Cc1csc([C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C(F)(F)F)n1 ZINC000455682436 822699858 /nfs/dbraw/zinc/69/98/58/822699858.db2.gz CJMLKJBPKRTHNZ-KGLIPLIRSA-N 1 1 392.491 4.009 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1cc(F)cc(F)c1 ZINC000180551733 822700867 /nfs/dbraw/zinc/70/08/67/822700867.db2.gz WLELGOVOXQTTLC-OAHLLOKOSA-N 1 1 376.300 4.326 20 0 GIADMO C[C@@H]1[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@H+]1Cc1ccccc1 ZINC000455686312 822701188 /nfs/dbraw/zinc/70/11/88/822701188.db2.gz OCSNQHATUWSBIR-DOMZBBRYSA-N 1 1 398.454 4.032 20 0 GIADMO CCc1nc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)sc1C ZINC000180571540 822704464 /nfs/dbraw/zinc/70/44/64/822704464.db2.gz LOFWLEFCRWHWAW-CQSZACIVSA-N 1 1 389.418 4.375 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)N1CCc2sccc2C1 ZINC000180577556 822705524 /nfs/dbraw/zinc/70/55/24/822705524.db2.gz SMIXERASWLTRLS-HNNXBMFYSA-N 1 1 386.414 4.055 20 0 GIADMO C[N@H+]1CCCC[C@@H]1CCSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000049775692 822708780 /nfs/dbraw/zinc/70/87/80/822708780.db2.gz FYNTUCDYSALMMP-HXUWFJFHSA-N 1 1 393.560 4.355 20 0 GIADMO CC[N@@H+](Cc1cc(=O)oc2cc(NC(C)=O)ccc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000049771090 822708793 /nfs/dbraw/zinc/70/87/93/822708793.db2.gz BQLUVWQYPFLJKK-HNNXBMFYSA-N 1 1 389.455 4.206 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)Nc2cncc(Cl)c2C)CC1)CC1CC1 ZINC000455709072 822709268 /nfs/dbraw/zinc/70/92/68/822709268.db2.gz IBKYRIRXRZMDKL-UHFFFAOYSA-N 1 1 378.948 4.409 20 0 GIADMO COc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000180602391 822709543 /nfs/dbraw/zinc/70/95/43/822709543.db2.gz LNRONUGLYIVVJC-PBHICJAKSA-N 1 1 380.282 4.139 20 0 GIADMO CCN(C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)[C@@H](C)c1cccc(OC)c1 ZINC000049789712 822709519 /nfs/dbraw/zinc/70/95/19/822709519.db2.gz UQXHOMUQVXAVFY-UWJYYQICSA-N 1 1 399.535 4.099 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccccc1OCc1cccnc1)c1ccco1 ZINC000180603642 822709966 /nfs/dbraw/zinc/70/99/66/822709966.db2.gz JZKYXGTWOJHIRM-RTWAWAEBSA-N 1 1 378.472 4.342 20 0 GIADMO COC(=O)c1occc1C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180608270 822711355 /nfs/dbraw/zinc/71/13/55/822711355.db2.gz TWHAHHUZDSLIKI-CQSZACIVSA-N 1 1 396.418 4.308 20 0 GIADMO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc(Cl)c1OCC(C)C ZINC000049944161 822712174 /nfs/dbraw/zinc/71/21/74/822712174.db2.gz HSTFOPUIMDHWJC-MRXNPFEDSA-N 1 1 394.899 4.009 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2OCCF)CC[N@H+]1Cc1ccccc1 ZINC000455726275 822714864 /nfs/dbraw/zinc/71/48/64/822714864.db2.gz TVFAREDZLUMRLO-MJGOQNOKSA-N 1 1 385.483 4.210 20 0 GIADMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1Cl ZINC000050049967 822715953 /nfs/dbraw/zinc/71/59/53/822715953.db2.gz VALIIHRZHCVVKZ-AWEZNQCLSA-N 1 1 393.940 4.444 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1 ZINC000050057874 822716457 /nfs/dbraw/zinc/71/64/57/822716457.db2.gz DHNBTXUWCIUTQC-QGZVFWFLSA-N 1 1 387.549 4.489 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455734097 822716775 /nfs/dbraw/zinc/71/67/75/822716775.db2.gz XIMNOVNMWIPJCW-JSGCOSHPSA-N 1 1 398.454 4.205 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C[N@H+]1Cc1ccccc1 ZINC000455735544 822716923 /nfs/dbraw/zinc/71/69/23/822716923.db2.gz YDABLLGOSWKNDC-JSGCOSHPSA-N 1 1 398.454 4.032 20 0 GIADMO Cc1sc([C@H](C)[NH2+]CC(=O)NCc2ccco2)nc1-c1ccc(Cl)cc1 ZINC000184949337 822717304 /nfs/dbraw/zinc/71/73/04/822717304.db2.gz JVAIOBSWNAHDLQ-LBPRGKRZSA-N 1 1 389.908 4.332 20 0 GIADMO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3F)c2C1 ZINC000184961553 822718991 /nfs/dbraw/zinc/71/89/91/822718991.db2.gz FWISNOXJPCECAY-OAHLLOKOSA-N 1 1 376.497 4.128 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3F)c2C1 ZINC000184961553 822718994 /nfs/dbraw/zinc/71/89/94/822718994.db2.gz FWISNOXJPCECAY-OAHLLOKOSA-N 1 1 376.497 4.128 20 0 GIADMO CCCn1ncc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C1CC1 ZINC000455750921 822719574 /nfs/dbraw/zinc/71/95/74/822719574.db2.gz JXUFYHYWSPJHQO-XLIONFOSSA-N 1 1 395.551 4.345 20 0 GIADMO Cc1ccc(F)c(Br)c1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000455760239 822721252 /nfs/dbraw/zinc/72/12/52/822721252.db2.gz XPQABTLLKJAKLO-UHFFFAOYSA-N 1 1 398.320 4.379 20 0 GIADMO Cc1ccc(CC[N@@H+](Cc2ccco2)Cc2cc(-c3cnn(C)c3)no2)cc1 ZINC000185013189 822725280 /nfs/dbraw/zinc/72/52/80/822725280.db2.gz CFUYVQZXFMIFDN-UHFFFAOYSA-N 1 1 376.460 4.221 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1nccs1 ZINC000185039869 822728008 /nfs/dbraw/zinc/72/80/08/822728008.db2.gz CIVMCWBOOQLFDC-LJQANCHMSA-N 1 1 379.529 4.432 20 0 GIADMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3ccccc3C(C)(F)F)CC2)C[C@H](C)O1 ZINC000455806777 822729884 /nfs/dbraw/zinc/72/98/84/822729884.db2.gz LOLJKHUONRGLOP-IYBDPMFKSA-N 1 1 395.494 4.151 20 0 GIADMO CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185061425 822730994 /nfs/dbraw/zinc/73/09/94/822730994.db2.gz LYJMREOUYGMPCS-YJBOKZPZSA-N 1 1 399.466 4.090 20 0 GIADMO CSCc1ccccc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000185067592 822732032 /nfs/dbraw/zinc/73/20/32/822732032.db2.gz RFVVOBKINXFCQA-UHFFFAOYSA-N 1 1 375.563 4.165 20 0 GIADMO CC(C)c1ncsc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455857888 822738284 /nfs/dbraw/zinc/73/82/84/822738284.db2.gz DBPXHRZEYUKXII-OAQYLSRUSA-N 1 1 384.549 4.396 20 0 GIADMO C[C@](O)(C[NH2+]Cc1csc(COc2ccccc2)n1)c1cccc(Cl)c1 ZINC000185117207 822739125 /nfs/dbraw/zinc/73/91/25/822739125.db2.gz UTSBHGMVSRZKNB-FQEVSTJZSA-N 1 1 388.920 4.373 20 0 GIADMO CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000050860816 822740094 /nfs/dbraw/zinc/74/00/94/822740094.db2.gz UXTJCNDBIFKGHT-HJOGWXRNSA-N 1 1 392.543 4.277 20 0 GIADMO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@H](CCO)c3ccco3)cc2)c1 ZINC000185126119 822740289 /nfs/dbraw/zinc/74/02/89/822740289.db2.gz DJNLYVBGWVZGEZ-HXUWFJFHSA-N 1 1 380.444 4.032 20 0 GIADMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000185139317 822741884 /nfs/dbraw/zinc/74/18/84/822741884.db2.gz JFSUBTAFIJYPCM-OXQOHEQNSA-N 1 1 385.533 4.020 20 0 GIADMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000050928110 822742722 /nfs/dbraw/zinc/74/27/22/822742722.db2.gz DEXDTLUNHKJZTQ-LAUBAEHRSA-N 1 1 380.448 4.002 20 0 GIADMO C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000050958752 822743286 /nfs/dbraw/zinc/74/32/86/822743286.db2.gz NXGRHTPQSTXYHX-UHFFFAOYSA-N 1 1 376.456 4.064 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000050963694 822743395 /nfs/dbraw/zinc/74/33/95/822743395.db2.gz VXUHQJWWJUHEOU-JOCHJYFZSA-N 1 1 398.478 4.038 20 0 GIADMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000051049322 822744899 /nfs/dbraw/zinc/74/48/99/822744899.db2.gz WDPLAAMNQDUUII-TZIWHRDSSA-N 1 1 395.547 4.177 20 0 GIADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000051049320 822744913 /nfs/dbraw/zinc/74/49/13/822744913.db2.gz HAGONGMPAPOWOT-UGKGYDQZSA-N 1 1 395.547 4.177 20 0 GIADMO 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MPHXQHQETUXWFK-UHFFFAOYSA-N 1 1 388.886 4.460 20 0 GIADMO Cn1cc([C@@H]([NH2+]C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c2ccc(F)cc2)cn1 ZINC000185410690 822780256 /nfs/dbraw/zinc/78/02/56/822780256.db2.gz JKSNFYYLGYJGMV-CTNGQTDRSA-N 1 1 398.869 4.085 20 0 GIADMO C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000456119899 822780299 /nfs/dbraw/zinc/78/02/99/822780299.db2.gz KUNSHHABJBXWEN-YVECIDJPSA-N 1 1 388.396 4.085 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1csc(Br)c1 ZINC000051855224 822780622 /nfs/dbraw/zinc/78/06/22/822780622.db2.gz WOUWXNBTCUWUKH-GFCCVEGCSA-N 1 1 377.311 4.284 20 0 GIADMO COc1ccccc1-c1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000174379987 822781087 /nfs/dbraw/zinc/78/10/87/822781087.db2.gz UOVOYWCPHKSORL-UHFFFAOYSA-N 1 1 394.559 4.487 20 0 GIADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2ccc(Cl)c(N)c2Cl)CCC1 ZINC000456125886 822781141 /nfs/dbraw/zinc/78/11/41/822781141.db2.gz WVGIYZATHNKUOA-UHFFFAOYSA-N 1 1 392.330 4.360 20 0 GIADMO C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)c1nc(Cc2ccccc2)no1 ZINC000185417522 822781225 /nfs/dbraw/zinc/78/12/25/822781225.db2.gz RJSKHJLQKACANQ-ZDUSSCGKSA-N 1 1 375.831 4.183 20 0 GIADMO C[C@H](CCOc1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000174389753 822782359 /nfs/dbraw/zinc/78/23/59/822782359.db2.gz OFRYZVVWJZADAB-LQWHRVPQSA-N 1 1 386.561 4.352 20 0 GIADMO C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400421 822784651 /nfs/dbraw/zinc/78/46/51/822784651.db2.gz IMDYWPJYFWUREB-NQIIRXRSSA-N 1 1 392.465 4.193 20 0 GIADMO CN(Cc1csc(-c2ccccn2)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174405170 822785851 /nfs/dbraw/zinc/78/58/51/822785851.db2.gz HGKGFWUJVANHNP-IBGZPJMESA-N 1 1 378.545 4.159 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(OC)ccc1OC ZINC000174412238 822786669 /nfs/dbraw/zinc/78/66/69/822786669.db2.gz PPSFEMUEEBXTLZ-IBGZPJMESA-N 1 1 397.519 4.080 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3ccccc3N3CCCCC3)CC2)[nH+]c1 ZINC000174431303 822789222 /nfs/dbraw/zinc/78/92/22/822789222.db2.gz BTSJSPFRISKSSH-UHFFFAOYSA-N 1 1 393.535 4.171 20 0 GIADMO OC1(c2ccccc2)CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000185485484 822789526 /nfs/dbraw/zinc/78/95/26/822789526.db2.gz BWVALHNLSQNSDM-UHFFFAOYSA-N 1 1 376.378 4.330 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(SC(=O)N(C)C)cc2)CC1 ZINC000185488049 822789857 /nfs/dbraw/zinc/78/98/57/822789857.db2.gz YFJVAKPZOWQZQV-MRXNPFEDSA-N 1 1 389.590 4.401 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(F)c(OC)c(F)c2OC)cc1)C(C)C ZINC000456251393 822790067 /nfs/dbraw/zinc/79/00/67/822790067.db2.gz MDOAXVAGZWHQMB-UHFFFAOYSA-N 1 1 392.446 4.465 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000185492303 822790265 /nfs/dbraw/zinc/79/02/65/822790265.db2.gz HUUHUFWPDDNKJF-CABCVRRESA-N 1 1 377.941 4.107 20 0 GIADMO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(Br)cc4nc[nH]c43)ccc21 ZINC000456255031 822790574 /nfs/dbraw/zinc/79/05/74/822790574.db2.gz AYVYYVPHOQPWQR-KRWDZBQOSA-N 1 1 399.292 4.127 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cccc(C[N@H+](C)CC)c2)s1 ZINC000174450771 822791480 /nfs/dbraw/zinc/79/14/80/822791480.db2.gz AWNNXUIDIITFAB-INIZCTEOSA-N 1 1 388.581 4.368 20 0 GIADMO CC(C)Cn1ccnc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000174454410 822792147 /nfs/dbraw/zinc/79/21/47/822792147.db2.gz CMYKPXHQAYVEIV-UHFFFAOYSA-N 1 1 386.503 4.077 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2Cc3ccccc3C3(CC3)C2)[C@@H]1c1cccs1 ZINC000185518350 822792860 /nfs/dbraw/zinc/79/28/60/822792860.db2.gz ZSEFVRKRYNCFLV-DYESRHJHSA-N 1 1 395.572 4.388 20 0 GIADMO CCOc1ccc(Oc2ccc(NC(=O)NCCn3cc[nH+]c3C)cc2)cc1 ZINC000052232033 822793811 /nfs/dbraw/zinc/79/38/11/822793811.db2.gz LWLGNDPZAGWOQF-UHFFFAOYSA-N 1 1 380.448 4.204 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c(F)c1 ZINC000052267030 822795324 /nfs/dbraw/zinc/79/53/24/822795324.db2.gz QRKRWYXRNXKIGM-UHFFFAOYSA-N 1 1 385.483 4.353 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2cccs2)cc1OC ZINC000052283268 822795579 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394.563 4.326 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000185582893 822799045 /nfs/dbraw/zinc/79/90/45/822799045.db2.gz FEUWFHVHRHOUBV-OAHLLOKOSA-N 1 1 392.931 4.219 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000185582893 822799047 /nfs/dbraw/zinc/79/90/47/822799047.db2.gz FEUWFHVHRHOUBV-OAHLLOKOSA-N 1 1 392.931 4.219 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3c(F)cccc3NC3CC3)cc2)C[C@@H](C)O1 ZINC000174510967 822799190 /nfs/dbraw/zinc/79/91/90/822799190.db2.gz DCUBRVNKJHVJMA-HZPDHXFCSA-N 1 1 397.494 4.262 20 0 GIADMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(COC(C)C)cc2)c1 ZINC000052430097 822799270 /nfs/dbraw/zinc/79/92/70/822799270.db2.gz RUMWRRSHJWPUGQ-HSZRJFAPSA-N 1 1 396.531 4.074 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(COC(C)C)cc2)c1 ZINC000052430097 822799271 /nfs/dbraw/zinc/79/92/71/822799271.db2.gz RUMWRRSHJWPUGQ-HSZRJFAPSA-N 1 1 396.531 4.074 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000174512802 822799353 /nfs/dbraw/zinc/79/93/53/822799353.db2.gz RWGANWMBKZRTGH-ZDUSSCGKSA-N 1 1 397.466 4.243 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000174517577 822799961 /nfs/dbraw/zinc/79/99/61/822799961.db2.gz LRPMXTSDTFIZKW-GOSISDBHSA-N 1 1 392.499 4.426 20 0 GIADMO COc1ccc(-c2nnc(C[N@H+](C)CCCOc3cccc(Cl)c3)o2)cc1 ZINC000052458036 822800378 /nfs/dbraw/zinc/80/03/78/822800378.db2.gz OWNTXAQVAPUCHU-UHFFFAOYSA-N 1 1 387.867 4.300 20 0 GIADMO COc1ccc(-c2nnc(C[N@@H+](C)CCCOc3cccc(Cl)c3)o2)cc1 ZINC000052458036 822800379 /nfs/dbraw/zinc/80/03/79/822800379.db2.gz OWNTXAQVAPUCHU-UHFFFAOYSA-N 1 1 387.867 4.300 20 0 GIADMO C[C@@H]1CN(C(=O)CCc2cncc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000456348392 822800893 /nfs/dbraw/zinc/80/08/93/822800893.db2.gz VGHQMEVRTAKCQQ-FQEVSTJZSA-N 1 1 387.527 4.148 20 0 GIADMO CCC(CC)n1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1C ZINC000456351972 822801247 /nfs/dbraw/zinc/80/12/47/822801247.db2.gz XQMCRDBGLSYNBU-GOSISDBHSA-N 1 1 382.552 4.147 20 0 GIADMO C[C@H]1CN(C(=O)CCCCC(=O)c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456352061 822801371 /nfs/dbraw/zinc/80/13/71/822801371.db2.gz XVTNKSYSKZPIBR-OAQYLSRUSA-N 1 1 392.543 4.410 20 0 GIADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000456361999 822802151 /nfs/dbraw/zinc/80/21/51/822802151.db2.gz WJAVOZCQIZFQGM-SFHVURJKSA-N 1 1 389.590 4.300 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000174533832 822802331 /nfs/dbraw/zinc/80/23/31/822802331.db2.gz XLCNJWKXUBIROM-TUACAJSNSA-N 1 1 392.543 4.169 20 0 GIADMO CN(C[C@H]1CCCCO1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000052559859 822803801 /nfs/dbraw/zinc/80/38/01/822803801.db2.gz MFUPETUYYNCYFF-JOCHJYFZSA-N 1 1 387.568 4.162 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000174552512 822804129 /nfs/dbraw/zinc/80/41/29/822804129.db2.gz SEWSTLGCMHSZPM-HNNXBMFYSA-N 1 1 382.430 4.136 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000174556587 822804707 /nfs/dbraw/zinc/80/47/07/822804707.db2.gz IWMOKQUPLUMGIA-NSHDSACASA-N 1 1 387.286 4.478 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)NC1(c2ccccc2)CCC1 ZINC000052612106 822805237 /nfs/dbraw/zinc/80/52/37/822805237.db2.gz OCMRSFOJHPBOAV-GOSISDBHSA-N 1 1 389.499 4.203 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC[N@H+]1C ZINC000174568450 822806089 /nfs/dbraw/zinc/80/60/89/822806089.db2.gz CRLCJCBVUNWDMI-RDJZCZTQSA-N 1 1 378.948 4.277 20 0 GIADMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2nc(-c3cccs3)oc2C)cc1 ZINC000185643446 822806121 /nfs/dbraw/zinc/80/61/21/822806121.db2.gz MPKUIQVWMVELBO-ZDUSSCGKSA-N 1 1 386.473 4.114 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000174568361 822806148 /nfs/dbraw/zinc/80/61/48/822806148.db2.gz IGVXJFUQJIWNLK-UHFFFAOYSA-N 1 1 389.931 4.437 20 0 GIADMO C[C@H](NCC(=O)N(Cc1ccccc1)C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663356 822808126 /nfs/dbraw/zinc/80/81/26/822808126.db2.gz PLGIATJFHKNLQM-PZJWPPBQSA-N 1 1 385.596 4.056 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1F ZINC000052712399 822808216 /nfs/dbraw/zinc/80/82/16/822808216.db2.gz ZGUNBFPXZPXUFG-MNOVXSKESA-N 1 1 375.469 4.161 20 0 GIADMO COc1ccc(F)cc1CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000185670196 822808555 /nfs/dbraw/zinc/80/85/55/822808555.db2.gz KIHVBNNWSLZWGZ-UHFFFAOYSA-N 1 1 381.451 4.384 20 0 GIADMO C[C@@H](NCC(=O)Nc1ccccc1SC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674223 822808821 /nfs/dbraw/zinc/80/88/21/822808821.db2.gz MPUZWJCWVAVYNI-CABCVRRESA-N 1 1 397.535 4.182 20 0 GIADMO C[C@@H](N[C@@H](C)C(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678482 822809441 /nfs/dbraw/zinc/80/94/41/822809441.db2.gz OMLJSIFXKBKYCJ-WSTZPKSXSA-N 1 1 379.548 4.409 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000052753495 822809632 /nfs/dbraw/zinc/80/96/32/822809632.db2.gz VCTZPQOPVNZTPC-GOSISDBHSA-N 1 1 380.488 4.227 20 0 GIADMO Cc1csc2nc(C[N@H+]3CC=C(c4c(C)[nH]c5ccccc54)CC3)cc(=O)n12 ZINC000174595436 822809651 /nfs/dbraw/zinc/80/96/51/822809651.db2.gz SSLKOVQRHAKPRN-UHFFFAOYSA-N 1 1 390.512 4.143 20 0 GIADMO Cc1csc2nc(C[N@@H+]3CC=C(c4c(C)[nH]c5ccccc54)CC3)cc(=O)n12 ZINC000174595436 822809653 /nfs/dbraw/zinc/80/96/53/822809653.db2.gz SSLKOVQRHAKPRN-UHFFFAOYSA-N 1 1 390.512 4.143 20 0 GIADMO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CCCc1ccccc1 ZINC000052802896 822810866 /nfs/dbraw/zinc/81/08/66/822810866.db2.gz HQUNMABAWXSIRN-NSHDSACASA-N 1 1 386.364 4.274 20 0 GIADMO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1cccc(F)c1 ZINC000174612723 822812590 /nfs/dbraw/zinc/81/25/90/822812590.db2.gz ADRHVBZZQOGGQX-KNQAVFIVSA-N 1 1 382.523 4.075 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N[C@@H](c3ccc(C(C)C)cc3)C(C)C)C2)n1 ZINC000052861964 822813030 /nfs/dbraw/zinc/81/30/30/822813030.db2.gz BGBVVUYOGXCACF-RBBKRZOGSA-N 1 1 398.551 4.194 20 0 GIADMO Cc1noc([C@H]2CCC[N@H+](CC(=O)N[C@@H](c3ccc(C(C)C)cc3)C(C)C)C2)n1 ZINC000052861964 822813032 /nfs/dbraw/zinc/81/30/32/822813032.db2.gz BGBVVUYOGXCACF-RBBKRZOGSA-N 1 1 398.551 4.194 20 0 GIADMO Cc1noc([C@H]2CCC[N@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)n1 ZINC000052862920 822813080 /nfs/dbraw/zinc/81/30/80/822813080.db2.gz PLPUVQDNEUPQRJ-HNNXBMFYSA-N 1 1 388.924 4.458 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](Cc3csc(Cc4ccc(Cl)cc4)n3)C2)n1 ZINC000052862920 822813082 /nfs/dbraw/zinc/81/30/82/822813082.db2.gz PLPUVQDNEUPQRJ-HNNXBMFYSA-N 1 1 388.924 4.458 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)n1 ZINC000052863711 822813345 /nfs/dbraw/zinc/81/33/45/822813345.db2.gz FDBIQLZCKXPIFR-LJQANCHMSA-N 1 1 376.460 4.010 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)cc1)C1CC1 ZINC000456539191 822814168 /nfs/dbraw/zinc/81/41/68/822814168.db2.gz OFGNMGDBFOYYRM-ICSRJNTNSA-N 1 1 384.545 4.383 20 0 GIADMO Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1F ZINC000174631869 822814861 /nfs/dbraw/zinc/81/48/61/822814861.db2.gz FZKNGCYVNBHALS-QFIPXVFZSA-N 1 1 383.488 4.417 20 0 GIADMO CCOc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174632298 822815110 /nfs/dbraw/zinc/81/51/10/822815110.db2.gz ZSKPFJAISBMOMY-HSZRJFAPSA-N 1 1 395.524 4.368 20 0 GIADMO CCc1ccc([C@H]([NH2+]Cc2cccnc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174634012 822815399 /nfs/dbraw/zinc/81/53/99/822815399.db2.gz QHZGWCROAFPZBS-QHCPKHFHSA-N 1 1 394.540 4.235 20 0 GIADMO Cc1ccc2[nH]cc(CCC(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)c2c1 ZINC000174646736 822817147 /nfs/dbraw/zinc/81/71/47/822817147.db2.gz QAJAQKSQDVMDOZ-SFHVURJKSA-N 1 1 391.515 4.441 20 0 GIADMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)Nc1ccc(O)cc1 ZINC000052993706 822817985 /nfs/dbraw/zinc/81/79/85/822817985.db2.gz AOVUFJDEBWFDQD-UHFFFAOYSA-N 1 1 385.851 4.005 20 0 GIADMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000174655681 822818730 /nfs/dbraw/zinc/81/87/30/822818730.db2.gz BQVFHAREHPULFU-UHFFFAOYSA-N 1 1 377.454 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20 0 GIADMO C[N@@H+](CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1 ZINC000457165496 822858457 /nfs/dbraw/zinc/85/84/57/822858457.db2.gz AJQQCCKYWVRBGW-UHFFFAOYSA-N 1 1 388.515 4.144 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000054011044 822858513 /nfs/dbraw/zinc/85/85/13/822858513.db2.gz NEEKCTNAUYEBSV-UHFFFAOYSA-N 1 1 377.444 4.078 20 0 GIADMO Cc1nc2ccccc2n1CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054012097 822858940 /nfs/dbraw/zinc/85/89/40/822858940.db2.gz UJZSHFNGHPNFFI-UHFFFAOYSA-N 1 1 387.487 4.352 20 0 GIADMO COc1ccc([C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C2CC2)cc1 ZINC000054020179 822859075 /nfs/dbraw/zinc/85/90/75/822859075.db2.gz UKBRSRLNHNIWDP-QHCPKHFHSA-N 1 1 393.531 4.064 20 0 GIADMO CN(Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174946757 822859523 /nfs/dbraw/zinc/85/95/23/822859523.db2.gz RFFPCHBBIRRSRE-XMMPIXPASA-N 1 1 391.559 4.019 20 0 GIADMO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174946757 822859525 /nfs/dbraw/zinc/85/95/25/822859525.db2.gz RFFPCHBBIRRSRE-XMMPIXPASA-N 1 1 391.559 4.019 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174946757 822859528 /nfs/dbraw/zinc/85/95/28/822859528.db2.gz RFFPCHBBIRRSRE-XMMPIXPASA-N 1 1 391.559 4.019 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000174951750 822860239 /nfs/dbraw/zinc/86/02/39/822860239.db2.gz YJHHJPMVYUDSMU-FBBABVLZSA-N 1 1 384.470 4.049 20 0 GIADMO CN(Cc1csc(-c2ccccn2)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174952574 822860471 /nfs/dbraw/zinc/86/04/71/822860471.db2.gz WOXOTAIQTCFCNV-FQEVSTJZSA-N 1 1 378.545 4.302 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000174954316 822860683 /nfs/dbraw/zinc/86/06/83/822860683.db2.gz DWNAJVHLFYPOQP-GFCCVEGCSA-N 1 1 392.758 4.249 20 0 GIADMO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000186204464 822860715 /nfs/dbraw/zinc/86/07/15/822860715.db2.gz JVDRNGRNOWTPNQ-PXAZEXFGSA-N 1 1 386.845 4.448 20 0 GIADMO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000186204444 822860766 /nfs/dbraw/zinc/86/07/66/822860766.db2.gz JVDRNGRNOWTPNQ-SJKOYZFVSA-N 1 1 386.845 4.448 20 0 GIADMO C[N@@H+](CCCCNC(=O)c1cccnc1SCc1ccc(F)cc1)C1CC1 ZINC000457210342 822860930 /nfs/dbraw/zinc/86/09/30/822860930.db2.gz VDGYDTFNQCKSNP-UHFFFAOYSA-N 1 1 387.524 4.117 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCOC(C)(C)C2)c1 ZINC000457220973 822861413 /nfs/dbraw/zinc/86/14/13/822861413.db2.gz VXPMQULMIIGPGA-NRFANRHFSA-N 1 1 380.532 4.254 20 0 GIADMO Cc1[nH]c2ccc(C(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2c1C ZINC000174965427 822862291 /nfs/dbraw/zinc/86/22/91/822862291.db2.gz BATRYMJZJYNMBQ-FQEVSTJZSA-N 1 1 375.516 4.379 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174969866 822862764 /nfs/dbraw/zinc/86/27/64/822862764.db2.gz RKGSCXJFBGPMOD-UYAOXDASSA-N 1 1 398.572 4.156 20 0 GIADMO CC(C)c1ccc(-c2nc(C[NH+]3CCC(Cn4cncn4)CC3)cs2)cc1 ZINC000186232040 822863092 /nfs/dbraw/zinc/86/30/92/822863092.db2.gz VIDLSOCOBRKJHC-UHFFFAOYSA-N 1 1 381.549 4.437 20 0 GIADMO COc1cccc(CCC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000054122549 822863173 /nfs/dbraw/zinc/86/31/73/822863173.db2.gz AAHSMYMJWKTEDZ-UHFFFAOYSA-N 1 1 386.923 4.016 20 0 GIADMO COc1cccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000054122549 822863177 /nfs/dbraw/zinc/86/31/77/822863177.db2.gz AAHSMYMJWKTEDZ-UHFFFAOYSA-N 1 1 386.923 4.016 20 0 GIADMO Cn1c(C[NH+]2CCC(OCc3ccccc3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000186241996 822864071 /nfs/dbraw/zinc/86/40/71/822864071.db2.gz QFJKEIZTBFWLJJ-UHFFFAOYSA-N 1 1 396.922 4.317 20 0 GIADMO O=C(CC[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccccc1Br ZINC000186241923 822864086 /nfs/dbraw/zinc/86/40/86/822864086.db2.gz YRLGFEFYIPZPNZ-UHFFFAOYSA-N 1 1 385.305 4.325 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000054153355 822864523 /nfs/dbraw/zinc/86/45/23/822864523.db2.gz SQUDICDYULHSHK-UHFFFAOYSA-N 1 1 391.284 4.439 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3Cc4sccc4CC3(C)C)CC2)cs1 ZINC000457320860 822864975 /nfs/dbraw/zinc/86/49/75/822864975.db2.gz RQTRYXGUCDMPBA-UHFFFAOYSA-N 1 1 389.590 4.089 20 0 GIADMO CC1(C)OCc2cc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)ccc2O1 ZINC000186251638 822865093 /nfs/dbraw/zinc/86/50/93/822865093.db2.gz SHCBDGCSGAEDLE-GOSISDBHSA-N 1 1 396.535 4.029 20 0 GIADMO CCCCCNC(=O)C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000054175059 822865992 /nfs/dbraw/zinc/86/59/92/822865992.db2.gz BSEYBHFPULKIEG-UHFFFAOYSA-N 1 1 385.321 4.107 20 0 GIADMO CC(C)(C)[C@@H](NC(=O)C[NH2+]C1(c2nccs2)CCCC1)c1cccs1 ZINC000175014632 822867488 /nfs/dbraw/zinc/86/74/88/822867488.db2.gz HUWDNZSXFYJSRH-INIZCTEOSA-N 1 1 377.579 4.467 20 0 GIADMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000175015857 822867686 /nfs/dbraw/zinc/86/76/86/822867686.db2.gz BMMFUFIJABORJM-CVEARBPZSA-N 1 1 387.911 4.391 20 0 GIADMO O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000175015672 822867698 /nfs/dbraw/zinc/86/76/98/822867698.db2.gz AYWAFZKGAFRNGF-UHFFFAOYSA-N 1 1 399.516 4.182 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000186272673 822868130 /nfs/dbraw/zinc/86/81/30/822868130.db2.gz INUNBWHQIRPSLI-OAHLLOKOSA-N 1 1 394.487 4.357 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000054202830 822868318 /nfs/dbraw/zinc/86/83/18/822868318.db2.gz AJRUAERSBJBHKL-KRWDZBQOSA-N 1 1 384.549 4.437 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC000054202830 822868320 /nfs/dbraw/zinc/86/83/20/822868320.db2.gz AJRUAERSBJBHKL-KRWDZBQOSA-N 1 1 384.549 4.437 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000568994170 822868362 /nfs/dbraw/zinc/86/83/62/822868362.db2.gz BETUGPZSIXNPQB-YPMHNXCESA-N 1 1 393.278 4.033 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000568994170 822868365 /nfs/dbraw/zinc/86/83/65/822868365.db2.gz BETUGPZSIXNPQB-YPMHNXCESA-N 1 1 393.278 4.033 20 0 GIADMO O=C([C@@H]1CCCc2[nH+]ccn21)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000457339758 822868390 /nfs/dbraw/zinc/86/83/90/822868390.db2.gz AXHPHVFRKFHPJH-IRXDYDNUSA-N 1 1 383.883 4.044 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000054202824 822868411 /nfs/dbraw/zinc/86/84/11/822868411.db2.gz NMBXKZWGLWTOII-INIZCTEOSA-N 1 1 380.879 4.134 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(Cl)c1 ZINC000568998535 822868565 /nfs/dbraw/zinc/86/85/65/822868565.db2.gz XATYUCPSZCTKTM-RDJZCZTQSA-N 1 1 388.943 4.143 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(Cl)c1 ZINC000568998535 822868570 /nfs/dbraw/zinc/86/85/70/822868570.db2.gz XATYUCPSZCTKTM-RDJZCZTQSA-N 1 1 388.943 4.143 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3OC(F)F)CCCC2)n1 ZINC000175019918 822868680 /nfs/dbraw/zinc/86/86/80/822868680.db2.gz YRLOFQNURIXFKL-UHFFFAOYSA-N 1 1 381.448 4.051 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000054224926 822869458 /nfs/dbraw/zinc/86/94/58/822869458.db2.gz FAHUIXFXXWZRDY-BBRMVZONSA-N 1 1 391.284 4.154 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054227115 822869861 /nfs/dbraw/zinc/86/98/61/822869861.db2.gz ZEDVVPVSVUOAGG-GHTZIAJQSA-N 1 1 388.515 4.054 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000175025362 822869903 /nfs/dbraw/zinc/86/99/03/822869903.db2.gz SPOIMVXXUPFRQC-PMACEKPBSA-N 1 1 385.577 4.405 20 0 GIADMO COc1cccc(F)c1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000186283376 822870105 /nfs/dbraw/zinc/87/01/05/822870105.db2.gz LUUOSGHOQAGGRT-QUCCMNQESA-N 1 1 397.494 4.353 20 0 GIADMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000569018382 822870284 /nfs/dbraw/zinc/87/02/84/822870284.db2.gz ZHGIKXXVYAQORC-IBGZPJMESA-N 1 1 385.895 4.238 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)cn1 ZINC000186293358 822872180 /nfs/dbraw/zinc/87/21/80/822872180.db2.gz XIDWMIGUFTYNIN-OAQYLSRUSA-N 1 1 389.503 4.186 20 0 GIADMO CCN(C(=O)c1csc(-c2ccoc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186299730 822872919 /nfs/dbraw/zinc/87/29/19/822872919.db2.gz XXKIHCQWFFEYJI-SFHVURJKSA-N 1 1 381.501 4.140 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000186298915 822872959 /nfs/dbraw/zinc/87/29/59/822872959.db2.gz JNEUETLXCJBNOT-INIZCTEOSA-N 1 1 384.501 4.166 20 0 GIADMO Cc1ccc2[nH]c(C(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)cc2c1C ZINC000569047108 822873257 /nfs/dbraw/zinc/87/32/57/822873257.db2.gz JOOQGAOUJTWZEZ-KRWDZBQOSA-N 1 1 377.488 4.430 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc(-c2cnco2)cc1 ZINC000054291282 822873436 /nfs/dbraw/zinc/87/34/36/822873436.db2.gz LPHGUKPELFYTSO-UHFFFAOYSA-N 1 1 382.489 4.426 20 0 GIADMO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000175052508 822874226 /nfs/dbraw/zinc/87/42/26/822874226.db2.gz XZALSEUXEWSHOE-CQSZACIVSA-N 1 1 399.491 4.113 20 0 GIADMO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCCOc3cc(Cl)ccc32)c2ccccc21 ZINC000186309654 822874261 /nfs/dbraw/zinc/87/42/61/822874261.db2.gz LXKUICPYVHEQOW-DLBZAZTESA-N 1 1 377.893 4.062 20 0 GIADMO CCN(C(=O)c1cnc2ccc(F)cc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186314524 822875045 /nfs/dbraw/zinc/87/50/45/822875045.db2.gz OMKFDZMAWICLLH-NRFANRHFSA-N 1 1 377.463 4.111 20 0 GIADMO COc1ccc(-c2nc(C[NH+]3CCC(OCC(C)C)CC3)cs2)c(OC)c1 ZINC000054321980 822876182 /nfs/dbraw/zinc/87/61/82/822876182.db2.gz KYPGINZAPIXGRO-UHFFFAOYSA-N 1 1 390.549 4.464 20 0 GIADMO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000054323850 822876384 /nfs/dbraw/zinc/87/63/84/822876384.db2.gz DZIXJPAOICWPDP-AWEZNQCLSA-N 1 1 388.430 4.049 20 0 GIADMO CCN(C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H](C)c1cccnc1 ZINC000186328974 822876844 /nfs/dbraw/zinc/87/68/44/822876844.db2.gz NUBAEJDNEMFUSW-AVRDEDQJSA-N 1 1 380.536 4.085 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000186331736 822877187 /nfs/dbraw/zinc/87/71/87/822877187.db2.gz PEWDXVREOSKIDU-MRXNPFEDSA-N 1 1 383.414 4.103 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccc(SC(F)F)cc1 ZINC000054347699 822877288 /nfs/dbraw/zinc/87/72/88/822877288.db2.gz SEOWTIIARMVGFS-UHFFFAOYSA-N 1 1 383.489 4.243 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccc(SC(F)F)cc1 ZINC000054347699 822877292 /nfs/dbraw/zinc/87/72/92/822877292.db2.gz SEOWTIIARMVGFS-UHFFFAOYSA-N 1 1 383.489 4.243 20 0 GIADMO Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)o2)c1 ZINC000175082723 822879098 /nfs/dbraw/zinc/87/90/98/822879098.db2.gz NRRAJBAHCMAWQQ-QGZVFWFLSA-N 1 1 395.482 4.178 20 0 GIADMO Fc1cccc(-c2cnc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)o2)c1 ZINC000175082723 822879103 /nfs/dbraw/zinc/87/91/03/822879103.db2.gz NRRAJBAHCMAWQQ-QGZVFWFLSA-N 1 1 395.482 4.178 20 0 GIADMO Cc1cc(NC(=O)CC[N@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)no1 ZINC000054394311 822881925 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CC[C@H](Oc1ccccc1F)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000175480543 822979171 /nfs/dbraw/zinc/97/91/71/822979171.db2.gz VVRMFKHOFVJPOC-APWZRJJASA-N 1 1 390.524 4.073 20 0 GIADMO CN1C(=O)CCc2cc(C[N@@H+](C)CCCc3cc(-c4ccccc4)no3)ccc21 ZINC000186920320 822980361 /nfs/dbraw/zinc/98/03/61/822980361.db2.gz SZUPWAZTVSYPBA-UHFFFAOYSA-N 1 1 389.499 4.315 20 0 GIADMO CCCCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1OCC ZINC000569889186 822980856 /nfs/dbraw/zinc/98/08/56/822980856.db2.gz PIFLDCQBQZNKLC-IAGOWNOFSA-N 1 1 389.458 4.257 20 0 GIADMO CCCCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1OCC ZINC000569889184 822980921 /nfs/dbraw/zinc/98/09/21/822980921.db2.gz PIFLDCQBQZNKLC-DLBZAZTESA-N 1 1 389.458 4.257 20 0 GIADMO CCCCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1OCC ZINC000569889191 822980943 /nfs/dbraw/zinc/98/09/43/822980943.db2.gz PIFLDCQBQZNKLC-SJORKVTESA-N 1 1 389.458 4.257 20 0 GIADMO O=C(Nc1cccc(Cl)c1F)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000569891826 822981609 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1 1 398.572 4.169 20 0 GIADMO CCOC1CC(CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC000190248220 823555626 /nfs/dbraw/zinc/55/56/26/823555626.db2.gz BNPBLYPCWYXXGC-FBPXKMNZSA-N 1 1 398.572 4.169 20 0 GIADMO C[C@@H](CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000411195426 823556194 /nfs/dbraw/zinc/55/61/94/823556194.db2.gz BNSMPHZUVKYKBK-ZDUSSCGKSA-N 1 1 378.385 4.031 20 0 GIADMO CC(C)(CC(F)F)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000411202277 823557143 /nfs/dbraw/zinc/55/71/43/823557143.db2.gz UXNMOYOYSGZFND-UHFFFAOYSA-N 1 1 392.412 4.421 20 0 GIADMO Cc1ccc(C[NH2+]Cc2csc(C(C)(C)C)n2)c(-n2cc(Cl)cn2)n1 ZINC000190306743 823561154 /nfs/dbraw/zinc/56/11/54/823561154.db2.gz MQBQDLHPMYQNIL-UHFFFAOYSA-N 1 1 375.929 4.273 20 0 GIADMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccc(SC)cc2)s1 ZINC000411285778 823562296 /nfs/dbraw/zinc/56/22/96/823562296.db2.gz SQRWABCQJHRPDZ-CABCVRRESA-N 1 1 380.579 4.169 20 0 GIADMO Cn1cccc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411299375 823562997 /nfs/dbraw/zinc/56/29/97/823562997.db2.gz ALGZZJHJLQQMRC-GOSISDBHSA-N 1 1 390.325 4.343 20 0 GIADMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000411298905 823563030 /nfs/dbraw/zinc/56/30/30/823563030.db2.gz UCYDQKAPXFXYHW-QGZVFWFLSA-N 1 1 393.453 4.166 20 0 GIADMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000124049366 823563126 /nfs/dbraw/zinc/56/31/26/823563126.db2.gz ULKLJEHLKCNYHG-NRFANRHFSA-N 1 1 393.560 4.463 20 0 GIADMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000124049366 823563129 /nfs/dbraw/zinc/56/31/29/823563129.db2.gz ULKLJEHLKCNYHG-NRFANRHFSA-N 1 1 393.560 4.463 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000461037608 823563259 /nfs/dbraw/zinc/56/32/59/823563259.db2.gz MYZAZQPKHSAJAM-QGZVFWFLSA-N 1 1 396.560 4.118 20 0 GIADMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000411316532 823564248 /nfs/dbraw/zinc/56/42/48/823564248.db2.gz AFMKNJGPXDYMOJ-CQSZACIVSA-N 1 1 391.309 4.046 20 0 GIADMO FC(F)(F)COCCC[NH+]1CCN(CCCc2cccc3ccccc32)CC1 ZINC000124069540 823564952 /nfs/dbraw/zinc/56/49/52/823564952.db2.gz BCYXDYOTSZNSLW-UHFFFAOYSA-N 1 1 394.481 4.359 20 0 GIADMO O=C(CC[N@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccccc1Br ZINC000411340804 823565351 /nfs/dbraw/zinc/56/53/51/823565351.db2.gz YJWYJRDKJRAWKH-HOTGVXAUSA-N 1 1 383.355 4.138 20 0 GIADMO O=C(CC[N@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccccc1Br ZINC000411340808 823565367 /nfs/dbraw/zinc/56/53/67/823565367.db2.gz YJWYJRDKJRAWKH-HZPDHXFCSA-N 1 1 383.355 4.138 20 0 GIADMO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190367384 823566803 /nfs/dbraw/zinc/56/68/03/823566803.db2.gz HFKUWMVUQLBSGS-ZDUSSCGKSA-N 1 1 392.381 4.222 20 0 GIADMO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190367384 823566805 /nfs/dbraw/zinc/56/68/05/823566805.db2.gz HFKUWMVUQLBSGS-ZDUSSCGKSA-N 1 1 392.381 4.222 20 0 GIADMO c1nc(C2CCCC2)sc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124130548 823570309 /nfs/dbraw/zinc/57/03/09/823570309.db2.gz VHKZLWFIMCBUCY-QGZVFWFLSA-N 1 1 385.581 4.498 20 0 GIADMO Clc1cccc(-c2ccc(C[NH2+]CCCCN3CCOCC3)o2)c1Cl ZINC000060979294 823570863 /nfs/dbraw/zinc/57/08/63/823570863.db2.gz ZGMKNJOXAXTWLX-UHFFFAOYSA-N 1 1 383.319 4.455 20 0 GIADMO c1cncc(-c2cccc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)c2)c1 ZINC000124143088 823571444 /nfs/dbraw/zinc/57/14/44/823571444.db2.gz ARNFSJVQBKFQNJ-QFIPXVFZSA-N 1 1 387.531 4.446 20 0 GIADMO CC[C@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411417132 823571698 /nfs/dbraw/zinc/57/16/98/823571698.db2.gz DVSLSANFJKCAII-OAQYLSRUSA-N 1 1 391.519 4.296 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000190429944 823572601 /nfs/dbraw/zinc/57/26/01/823572601.db2.gz ZAAGKBLVSLQBGR-SNVBAGLBSA-N 1 1 399.235 4.025 20 0 GIADMO O=C(CC[N@@H+](Cc1ccncc1)C1CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000411424486 823572754 /nfs/dbraw/zinc/57/27/54/823572754.db2.gz WJRKNAKHWKHYNN-QHCPKHFHSA-N 1 1 391.540 4.403 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000061013278 823572997 /nfs/dbraw/zinc/57/29/97/823572997.db2.gz UIPGXVMJCFNIBS-UHFFFAOYSA-N 1 1 397.906 4.263 20 0 GIADMO CC[C@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000411428787 823573189 /nfs/dbraw/zinc/57/31/89/823573189.db2.gz PHXJLGGTDIZPFZ-QGZVFWFLSA-N 1 1 376.298 4.256 20 0 GIADMO Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000190435794 823573565 /nfs/dbraw/zinc/57/35/65/823573565.db2.gz XMQQFQQSGZRTPB-YLJYHZDGSA-N 1 1 399.560 4.092 20 0 GIADMO C[C@]1(CCCO)CCC[N@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000411433980 823573805 /nfs/dbraw/zinc/57/38/05/823573805.db2.gz BCWZPKVNZKEPBZ-XMMPIXPASA-N 1 1 396.531 4.221 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cccc2c1OCCO2 ZINC000190447975 823575750 /nfs/dbraw/zinc/57/57/50/823575750.db2.gz PQEFGDPPZDDMOK-GFCCVEGCSA-N 1 1 378.266 4.080 20 0 GIADMO COc1cc(CNCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc2c1OCO2 ZINC000061070919 823576936 /nfs/dbraw/zinc/57/69/36/823576936.db2.gz WSEFEDSLQZXZEY-ROUUACIJSA-N 1 1 396.531 4.192 20 0 GIADMO CC(C)(C)n1nccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000190461972 823577698 /nfs/dbraw/zinc/57/76/98/823577698.db2.gz FSFDVOYRJUHRGE-WOJBJXKFSA-N 1 1 395.551 4.157 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](CC(C)C)c2cc(Cl)ccc2OC)nc1 ZINC000411471744 823578705 /nfs/dbraw/zinc/57/87/05/823578705.db2.gz RDHXMKQBUIIDEA-GOSISDBHSA-N 1 1 376.884 4.407 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)C1 ZINC000190478009 823579436 /nfs/dbraw/zinc/57/94/36/823579436.db2.gz UJFMQVLYMXGNQQ-IIBYNOLFSA-N 1 1 384.480 4.212 20 0 GIADMO CCOC(C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1)OCC ZINC000124256216 823581455 /nfs/dbraw/zinc/58/14/55/823581455.db2.gz QOMANLQMNCJHRQ-UHFFFAOYSA-N 1 1 383.492 4.088 20 0 GIADMO COc1ccc(CCCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000061163146 823581565 /nfs/dbraw/zinc/58/15/65/823581565.db2.gz UFSZUMFDVRFQQK-KDURUIRLSA-N 1 1 396.531 4.266 20 0 GIADMO COc1ccc(CCCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000061163146 823581566 /nfs/dbraw/zinc/58/15/66/823581566.db2.gz UFSZUMFDVRFQQK-KDURUIRLSA-N 1 1 396.531 4.266 20 0 GIADMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190508454 823582200 /nfs/dbraw/zinc/58/22/00/823582200.db2.gz SUWGXMRRDBKOQK-INIZCTEOSA-N 1 1 393.462 4.244 20 0 GIADMO CCc1nc([C@H](C)[NH2+]CCC(=O)Nc2cccc(Br)c2)cs1 ZINC000411530160 823585135 /nfs/dbraw/zinc/58/51/35/823585135.db2.gz JLBBWTYBRNPWIZ-NSHDSACASA-N 1 1 382.327 4.147 20 0 GIADMO CC[C@@H](c1nnc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1)c1ccccc1 ZINC000124314449 823586374 /nfs/dbraw/zinc/58/63/74/823586374.db2.gz OALOWDLBGMVCRR-KZNAEPCWSA-N 1 1 399.564 4.028 20 0 GIADMO COc1ccccc1CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000061261103 823588171 /nfs/dbraw/zinc/58/81/71/823588171.db2.gz NLHHFRPRVSNNDY-LJQANCHMSA-N 1 1 395.547 4.112 20 0 GIADMO Brc1ccc([C@@H]([NH2+]Cc2nncn2-c2ccccc2)C2CC2)s1 ZINC000190582957 823588453 /nfs/dbraw/zinc/58/84/53/823588453.db2.gz ZBPBOQCRNQKRSZ-KRWDZBQOSA-N 1 1 389.322 4.332 20 0 GIADMO CN(Cc1ccc(-c2ncco2)cc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411580054 823589231 /nfs/dbraw/zinc/58/92/31/823589231.db2.gz FTVBJAINMDPFKH-FPOVZHCZSA-N 1 1 380.467 4.001 20 0 GIADMO CN1CC[C@@H](C[N@H+](C)Cc2ccc(-c3ncco3)cc2F)[C@@H]1c1cccnc1 ZINC000411580054 823589232 /nfs/dbraw/zinc/58/92/32/823589232.db2.gz FTVBJAINMDPFKH-FPOVZHCZSA-N 1 1 380.467 4.001 20 0 GIADMO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3ncco3)cc2F)[C@@H]1c1cccnc1 ZINC000411580054 823589233 /nfs/dbraw/zinc/58/92/33/823589233.db2.gz FTVBJAINMDPFKH-FPOVZHCZSA-N 1 1 380.467 4.001 20 0 GIADMO COCc1c2ccccc2oc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285373 823589345 /nfs/dbraw/zinc/58/93/45/823589345.db2.gz HOJZUNSERSLAPD-UHFFFAOYSA-N 1 1 396.512 4.380 20 0 GIADMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411619275 823591341 /nfs/dbraw/zinc/59/13/41/823591341.db2.gz OSXJYEFRXHJXGM-NRFANRHFSA-N 1 1 385.895 4.152 20 0 GIADMO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411619275 823591346 /nfs/dbraw/zinc/59/13/46/823591346.db2.gz OSXJYEFRXHJXGM-NRFANRHFSA-N 1 1 385.895 4.152 20 0 GIADMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000411639423 823592977 /nfs/dbraw/zinc/59/29/77/823592977.db2.gz FITYGBUGNVDBNG-ZBFHGGJFSA-N 1 1 383.517 4.047 20 0 GIADMO C[C@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000061351430 823593018 /nfs/dbraw/zinc/59/30/18/823593018.db2.gz MDIKTKWINVZWRB-RTBURBONSA-N 1 1 383.536 4.332 20 0 GIADMO CC(C)[N@H+](Cc1ccc(-c2ncco2)cc1F)C[C@@H](O)COc1ccccc1 ZINC000411653335 823594769 /nfs/dbraw/zinc/59/47/69/823594769.db2.gz ZWLKKAPLPSCKPR-LJQANCHMSA-N 1 1 384.451 4.131 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1cc[nH]n1)Nc1ccccc1Oc1ccccc1 ZINC000411657497 823595058 /nfs/dbraw/zinc/59/50/58/823595058.db2.gz UGEKDTANIFZVTF-FQEVSTJZSA-N 1 1 376.460 4.368 20 0 GIADMO CCCCN(C)Cn1nc([C@H](CC)[NH+](C)C)n(-c2ccc(OC)cc2)c1=S ZINC000124425333 823595678 /nfs/dbraw/zinc/59/56/78/823595678.db2.gz DVXZSRUKIFVAOJ-SFHVURJKSA-N 1 1 391.585 4.114 20 0 GIADMO CS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411687157 823596995 /nfs/dbraw/zinc/59/69/95/823596995.db2.gz FLYLKJRDVNKOQJ-VQTJNVASSA-N 1 1 377.937 4.329 20 0 GIADMO CS(=O)(=O)[C@H]1CCC[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000411687157 823596996 /nfs/dbraw/zinc/59/69/96/823596996.db2.gz FLYLKJRDVNKOQJ-VQTJNVASSA-N 1 1 377.937 4.329 20 0 GIADMO C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCS1 ZINC000190688076 823598375 /nfs/dbraw/zinc/59/83/75/823598375.db2.gz UKJFRTWEMQYWHM-SFHVURJKSA-N 1 1 378.545 4.321 20 0 GIADMO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2)c1C ZINC000461206569 823598480 /nfs/dbraw/zinc/59/84/80/823598480.db2.gz IDTGUTRQYHYYKL-UHFFFAOYSA-N 1 1 375.881 4.084 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000124469275 823599203 /nfs/dbraw/zinc/59/92/03/823599203.db2.gz QVQQXDKHOFJOGQ-ZBFHGGJFSA-N 1 1 382.932 4.082 20 0 GIADMO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)Cc3ccc(F)c(Cl)c3)cc2)c1C ZINC000461213643 823599969 /nfs/dbraw/zinc/59/99/69/823599969.db2.gz VUVXEXBLFLHLJK-UHFFFAOYSA-N 1 1 393.871 4.224 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H](c2ccncc2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000411732769 823600790 /nfs/dbraw/zinc/60/07/90/823600790.db2.gz UMFPIFDGKORNKS-QFIPXVFZSA-N 1 1 389.499 4.083 20 0 GIADMO O=C(C[N@H+]1CCC[C@H](c2ccncc2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000411732769 823600791 /nfs/dbraw/zinc/60/07/91/823600791.db2.gz UMFPIFDGKORNKS-QFIPXVFZSA-N 1 1 389.499 4.083 20 0 GIADMO CC[C@H](C)[N@H+](CCO)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411734829 823600971 /nfs/dbraw/zinc/60/09/71/823600971.db2.gz BLYLHVVGFNYNFT-LBPRGKRZSA-N 1 1 391.924 4.310 20 0 GIADMO CC[C@H](C)[N@@H+](CCO)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000411734829 823600972 /nfs/dbraw/zinc/60/09/72/823600972.db2.gz BLYLHVVGFNYNFT-LBPRGKRZSA-N 1 1 391.924 4.310 20 0 GIADMO CCc1n[nH]c(C2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)n1 ZINC000190717453 823601798 /nfs/dbraw/zinc/60/17/98/823601798.db2.gz UTUPHWHVCJRVJD-UHFFFAOYSA-N 1 1 386.503 4.061 20 0 GIADMO CCc1nc(C2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)n[nH]1 ZINC000190717453 823601800 /nfs/dbraw/zinc/60/18/00/823601800.db2.gz UTUPHWHVCJRVJD-UHFFFAOYSA-N 1 1 386.503 4.061 20 0 GIADMO CC(C)([NH2+]CCC(=O)Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)on1 ZINC000411759576 823603021 /nfs/dbraw/zinc/60/30/21/823603021.db2.gz PYAITEMVJYMNQQ-UHFFFAOYSA-N 1 1 375.778 4.200 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c1C ZINC000411766494 823603560 /nfs/dbraw/zinc/60/35/60/823603560.db2.gz JVGTUDJHNLPULA-HIFRSBDPSA-N 1 1 396.466 4.081 20 0 GIADMO COc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000411786852 823604811 /nfs/dbraw/zinc/60/48/11/823604811.db2.gz DPCGWBWQKHSKKR-FQEVSTJZSA-N 1 1 378.476 4.127 20 0 GIADMO Clc1cccc([C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)c2ccccn2)c1 ZINC000124546518 823605257 /nfs/dbraw/zinc/60/52/57/823605257.db2.gz NRXWFWCPEKRIQF-HSZRJFAPSA-N 1 1 392.934 4.474 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000461255932 823605949 /nfs/dbraw/zinc/60/59/49/823605949.db2.gz FRUCVSNRIQSRSL-SFHVURJKSA-N 1 1 392.503 4.079 20 0 GIADMO O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC[N@H+](C2CC2)CC1 ZINC000061604865 823606160 /nfs/dbraw/zinc/60/61/60/823606160.db2.gz HXPRPDLJJXDZBI-MSOLQXFVSA-N 1 1 381.545 4.043 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000061624121 823606853 /nfs/dbraw/zinc/60/68/53/823606853.db2.gz WWDGAUBSQOXLMW-UHFFFAOYSA-N 1 1 375.472 4.432 20 0 GIADMO Cc1nn(-c2ccc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc2)c(C)c1Cl ZINC000461260860 823607284 /nfs/dbraw/zinc/60/72/84/823607284.db2.gz FTAUHXSUSFVCOK-SFHVURJKSA-N 1 1 388.943 4.089 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000461261075 823607292 /nfs/dbraw/zinc/60/72/92/823607292.db2.gz WLXIKZLQWCEUEH-GOSISDBHSA-N 1 1 382.470 4.460 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000461261691 823607454 /nfs/dbraw/zinc/60/74/54/823607454.db2.gz XOEFFFQMMANXNP-UAGQMJEPSA-N 1 1 384.442 4.022 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000461261690 823607474 /nfs/dbraw/zinc/60/74/74/823607474.db2.gz XOEFFFQMMANXNP-BHYGNILZSA-N 1 1 384.442 4.022 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000461261657 823607500 /nfs/dbraw/zinc/60/75/00/823607500.db2.gz XHHINJUFQRKDAP-KRWDZBQOSA-N 1 1 387.911 4.474 20 0 GIADMO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CN3C[C@H](C)O[C@@H](C)C3)cc1)CC2 ZINC000124598387 823609953 /nfs/dbraw/zinc/60/99/53/823609953.db2.gz LPOGVIBEROBEGJ-LLJLJFOGSA-N 1 1 380.532 4.082 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000461272585 823610276 /nfs/dbraw/zinc/61/02/76/823610276.db2.gz PSDKWHXPSABZNA-HXUWFJFHSA-N 1 1 384.495 4.351 20 0 GIADMO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)C[C@H](C)O1 ZINC000124626175 823612273 /nfs/dbraw/zinc/61/22/73/823612273.db2.gz ZZTYTLQGQPIHKJ-SELNLUPBSA-N 1 1 380.532 4.299 20 0 GIADMO Cc1[nH+]ccn1CCCCSc1nnc(NCc2ccc(F)cc2)s1 ZINC000124646850 823613994 /nfs/dbraw/zinc/61/39/94/823613994.db2.gz QZBXXNBANWGKDO-UHFFFAOYSA-N 1 1 377.514 4.367 20 0 GIADMO C[N@@H+](CC1CCOCC1)Cn1ccn(-c2ccc(Br)cc2)c1=S ZINC000124653106 823614423 /nfs/dbraw/zinc/61/44/23/823614423.db2.gz JWPYDCJKGRGDFL-UHFFFAOYSA-N 1 1 396.354 4.087 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000411945924 823615614 /nfs/dbraw/zinc/61/56/14/823615614.db2.gz OECQWYYJELHJHX-MSOLQXFVSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000411945924 823615616 /nfs/dbraw/zinc/61/56/16/823615616.db2.gz OECQWYYJELHJHX-MSOLQXFVSA-N 1 1 399.288 4.412 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCSCc2ccc(C)cc2)c1 ZINC000061855086 823616198 /nfs/dbraw/zinc/61/61/98/823616198.db2.gz HXLNZEODDABBKQ-UHFFFAOYSA-N 1 1 385.577 4.179 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000061856153 823616201 /nfs/dbraw/zinc/61/62/01/823616201.db2.gz NKWSMAFJBDBIOO-UHFFFAOYSA-N 1 1 391.515 4.170 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000061864877 823616590 /nfs/dbraw/zinc/61/65/90/823616590.db2.gz ACBVDJMYVZJCLE-LJQANCHMSA-N 1 1 387.524 4.314 20 0 GIADMO O=C(CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000411956060 823616669 /nfs/dbraw/zinc/61/66/69/823616669.db2.gz VVPPCEMCTQLHDQ-MAUKXSAKSA-N 1 1 379.287 4.130 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000411959871 823616752 /nfs/dbraw/zinc/61/67/52/823616752.db2.gz YPNNTMXCMJNXSF-YOEHRIQHSA-N 1 1 390.270 4.351 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000411959871 823616753 /nfs/dbraw/zinc/61/67/53/823616753.db2.gz YPNNTMXCMJNXSF-YOEHRIQHSA-N 1 1 390.270 4.351 20 0 GIADMO CCOc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000061867980 823616831 /nfs/dbraw/zinc/61/68/31/823616831.db2.gz SLNYMTKPTBGCNE-LJQANCHMSA-N 1 1 395.547 4.459 20 0 GIADMO CO[C@@](C)([C@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C1CC1 ZINC000411968218 823617091 /nfs/dbraw/zinc/61/70/91/823617091.db2.gz IZMNWRGJYNZZRV-BTYIYWSLSA-N 1 1 387.549 4.429 20 0 GIADMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000124692809 823618012 /nfs/dbraw/zinc/61/80/12/823618012.db2.gz PXQJUAARFIYGGI-QGZVFWFLSA-N 1 1 378.472 4.411 20 0 GIADMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411987982 823618422 /nfs/dbraw/zinc/61/84/22/823618422.db2.gz NLNQPGHBZXCKCC-AUSIDOKSSA-N 1 1 378.516 4.060 20 0 GIADMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411987982 823618426 /nfs/dbraw/zinc/61/84/26/823618426.db2.gz NLNQPGHBZXCKCC-AUSIDOKSSA-N 1 1 378.516 4.060 20 0 GIADMO CSc1cccc(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000411990720 823618677 /nfs/dbraw/zinc/61/86/77/823618677.db2.gz RSLRXBFUFFJKQJ-NRFANRHFSA-N 1 1 382.529 4.201 20 0 GIADMO CSc1cccc(NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000411990720 823618678 /nfs/dbraw/zinc/61/86/78/823618678.db2.gz RSLRXBFUFFJKQJ-NRFANRHFSA-N 1 1 382.529 4.201 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1nc2ccccc2o1)C(C)C ZINC000411991838 823618712 /nfs/dbraw/zinc/61/87/12/823618712.db2.gz YHCRDKOBMBJKDL-INIZCTEOSA-N 1 1 386.517 4.200 20 0 GIADMO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995210 823619191 /nfs/dbraw/zinc/61/91/91/823619191.db2.gz CILIQVJEZJZXAS-SELNLUPBSA-N 1 1 390.527 4.206 20 0 GIADMO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000907 823620151 /nfs/dbraw/zinc/62/01/51/823620151.db2.gz PHPWBHGRQXFJMF-NFBKMPQASA-N 1 1 392.543 4.196 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1F ZINC000412001284 823620384 /nfs/dbraw/zinc/62/03/84/823620384.db2.gz PTRILDXTZYCPRU-DYESRHJHSA-N 1 1 382.479 4.315 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1F ZINC000412001284 823620385 /nfs/dbraw/zinc/62/03/85/823620385.db2.gz PTRILDXTZYCPRU-DYESRHJHSA-N 1 1 382.479 4.315 20 0 GIADMO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002320 823620627 /nfs/dbraw/zinc/62/06/27/823620627.db2.gz SYISYWDTZUQXIX-VIZSFHNOSA-N 1 1 392.543 4.149 20 0 GIADMO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412002320 823620629 /nfs/dbraw/zinc/62/06/29/823620629.db2.gz SYISYWDTZUQXIX-VIZSFHNOSA-N 1 1 392.543 4.149 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000412001805 823620687 /nfs/dbraw/zinc/62/06/87/823620687.db2.gz REGZUCCVILZVLV-UPVQGACJSA-N 1 1 390.527 4.034 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000412001805 823620688 /nfs/dbraw/zinc/62/06/88/823620688.db2.gz REGZUCCVILZVLV-UPVQGACJSA-N 1 1 390.527 4.034 20 0 GIADMO CCC[C@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000412003380 823620884 /nfs/dbraw/zinc/62/08/84/823620884.db2.gz XGALPQXLXHBDAJ-LADGPHEKSA-N 1 1 392.543 4.498 20 0 GIADMO CCC[C@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000412003380 823620886 /nfs/dbraw/zinc/62/08/86/823620886.db2.gz XGALPQXLXHBDAJ-LADGPHEKSA-N 1 1 392.543 4.498 20 0 GIADMO COc1cc(F)cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000124733197 823621831 /nfs/dbraw/zinc/62/18/31/823621831.db2.gz HPMISMBVLDQCQI-OXJNMPFZSA-N 1 1 385.483 4.351 20 0 GIADMO OCC1([C@H]([NH2+]Cc2ncc(-c3cccc(F)c3)o2)c2ccccc2)CCOCC1 ZINC000412006823 823621833 /nfs/dbraw/zinc/62/18/33/823621833.db2.gz DROUZRNYUJUHPH-JOCHJYFZSA-N 1 1 396.462 4.101 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)c2ccccc2)CCOCC1 ZINC000412010224 823622203 /nfs/dbraw/zinc/62/22/03/823622203.db2.gz PSRICWNQXHDWFN-NRFANRHFSA-N 1 1 396.462 4.101 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2csc(-c3ccoc3)n2)c2ccccc2)CCOCC1 ZINC000412010109 823622267 /nfs/dbraw/zinc/62/22/67/823622267.db2.gz KSCXAGNIEIJGCL-IBGZPJMESA-N 1 1 384.501 4.023 20 0 GIADMO C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000062127818 823623259 /nfs/dbraw/zinc/62/32/59/823623259.db2.gz CRJULVZTZIVPIK-UHFFFAOYSA-N 1 1 393.531 4.063 20 0 GIADMO C[C@H](c1ccc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)cc1)[NH+]1CCOCC1 ZINC000412038631 823623875 /nfs/dbraw/zinc/62/38/75/823623875.db2.gz XYFSSYSBFHKMOF-HXOBKFHXSA-N 1 1 394.515 4.308 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000412052000 823624342 /nfs/dbraw/zinc/62/43/42/823624342.db2.gz BLTZQTGBDUIVFU-QHCPKHFHSA-N 1 1 392.543 4.270 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Br)CC1 ZINC000412058184 823624820 /nfs/dbraw/zinc/62/48/20/823624820.db2.gz ULQNQXKLIOXRHZ-HNNXBMFYSA-N 1 1 385.733 4.079 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](N4CCCC4=O)CC3)cs2)cc1 ZINC000412060437 823624982 /nfs/dbraw/zinc/62/49/82/823624982.db2.gz ZXOBHNHRSFIPMO-LJQANCHMSA-N 1 1 399.560 4.186 20 0 GIADMO O=C(CCOc1cccc(Cl)c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062230272 823625035 /nfs/dbraw/zinc/62/50/35/823625035.db2.gz AGTIGIGKVKXBHE-LJQANCHMSA-N 1 1 386.923 4.137 20 0 GIADMO O=C(CCc1ccc(Cl)s1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062229939 823625128 /nfs/dbraw/zinc/62/51/28/823625128.db2.gz CZJIDSWBROCBCB-QGZVFWFLSA-N 1 1 376.953 4.363 20 0 GIADMO COC(=O)[C@@]1(C)CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000412065959 823625347 /nfs/dbraw/zinc/62/53/47/823625347.db2.gz LHBAARTVGNHXGO-VOJFVSQTSA-N 1 1 398.290 4.380 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2cc3c(c(OC)c2)OCO3)c2ccc(F)cc2)cc1 ZINC000062258741 823626851 /nfs/dbraw/zinc/62/68/51/823626851.db2.gz HMAIFJJVIFMDGI-JOCHJYFZSA-N 1 1 395.430 4.451 20 0 GIADMO C[C@H](CC(F)F)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000412112081 823627155 /nfs/dbraw/zinc/62/71/55/823627155.db2.gz BCMACNONMJJXKB-SUYBPPKGSA-N 1 1 392.412 4.496 20 0 GIADMO CCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000124803127 823627425 /nfs/dbraw/zinc/62/74/25/823627425.db2.gz FNNCDSCBTHYJAR-LSDHHAIUSA-N 1 1 383.458 4.282 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(Cl)sc3Cl)c2)CCO1 ZINC000062291121 823627788 /nfs/dbraw/zinc/62/77/88/823627788.db2.gz OMFQAMHUGRXRPI-LBPRGKRZSA-N 1 1 399.343 4.206 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(Cl)sc3Cl)c2)CCO1 ZINC000062291121 823627790 /nfs/dbraw/zinc/62/77/90/823627790.db2.gz OMFQAMHUGRXRPI-LBPRGKRZSA-N 1 1 399.343 4.206 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1nc(-c2cccnc2)no1 ZINC000190942454 823627941 /nfs/dbraw/zinc/62/79/41/823627941.db2.gz CJEYPXMTGJBAGU-HXUWFJFHSA-N 1 1 378.476 4.407 20 0 GIADMO FC(F)c1ccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000461388453 823628044 /nfs/dbraw/zinc/62/80/44/823628044.db2.gz NBFMHCLTLMWOIN-UHFFFAOYSA-N 1 1 390.865 4.243 20 0 GIADMO CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000124818171 823628523 /nfs/dbraw/zinc/62/85/23/823628523.db2.gz 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/nfs/dbraw/zinc/63/68/15/823636815.db2.gz KDDCDHGVGUQOGZ-GGAORHGYSA-N 1 1 399.538 4.446 20 0 GIADMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000461436014 823636940 /nfs/dbraw/zinc/63/69/40/823636940.db2.gz MNBXWYOCKZZJLZ-DBVUQKKJSA-N 1 1 384.470 4.049 20 0 GIADMO Cc1oc2ccccc2c1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461436067 823637005 /nfs/dbraw/zinc/63/70/05/823637005.db2.gz MYAFSDIUSXREGJ-SFTDATJTSA-N 1 1 388.511 4.264 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c2ccccc2n1 ZINC000124923560 823637316 /nfs/dbraw/zinc/63/73/16/823637316.db2.gz UIYUIRHXPGTWLC-CQSZACIVSA-N 1 1 391.450 4.122 20 0 GIADMO CSCc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461439328 823637729 /nfs/dbraw/zinc/63/77/29/823637729.db2.gz QTZRXPQQKXSVSP-VXKWHMMOSA-N 1 1 380.557 4.144 20 0 GIADMO CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000461440174 823637930 /nfs/dbraw/zinc/63/79/30/823637930.db2.gz AOJNSPJTLTZFBM-XPNTWCBSSA-N 1 1 380.507 4.300 20 0 GIADMO Cc1ccccc1OCCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461441775 823638206 /nfs/dbraw/zinc/63/82/06/823638206.db2.gz GJODUDYJCUCBPK-GOTSBHOMSA-N 1 1 392.543 4.135 20 0 GIADMO O=C([C@H]1C[C@@]1(F)c1ccccc1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000412236538 823638462 /nfs/dbraw/zinc/63/84/62/823638462.db2.gz SXGMKKQONDLZAT-RCZVLFRGSA-N 1 1 392.518 4.386 20 0 GIADMO CC[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(OC)cc1 ZINC000124943670 823639332 /nfs/dbraw/zinc/63/93/32/823639332.db2.gz COUBIZKWFIKDJI-VXKWHMMOSA-N 1 1 394.559 4.260 20 0 GIADMO C[C@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCc2ccccc2C1 ZINC000461446711 823639461 /nfs/dbraw/zinc/63/94/61/823639461.db2.gz DXQWVXUARZUFLH-MZKUHISZSA-N 1 1 388.555 4.162 20 0 GIADMO Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461450258 823640142 /nfs/dbraw/zinc/64/01/42/823640142.db2.gz PKAYBKSUTUNFRA-AKIFATBCSA-N 1 1 376.544 4.469 20 0 GIADMO Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461450259 823640218 /nfs/dbraw/zinc/64/02/18/823640218.db2.gz PKAYBKSUTUNFRA-MZYLBHOOSA-N 1 1 376.544 4.469 20 0 GIADMO C[C@H](NC(=O)C[C@H](c1ccc(O)cc1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412256414 823640356 /nfs/dbraw/zinc/64/03/56/823640356.db2.gz QXYICULVFRSXEB-ANJVHQHFSA-N 1 1 392.543 4.303 20 0 GIADMO O=C(CCc1cnc2ccccc2c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461451820 823640595 /nfs/dbraw/zinc/64/05/95/823640595.db2.gz UAIXCMCQLYUMTJ-BJKOFHAPSA-N 1 1 399.538 4.148 20 0 GIADMO O=C(c1sccc1-n1cccc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461455076 823641127 /nfs/dbraw/zinc/64/11/27/823641127.db2.gz KDDYGVAXRXCPJF-VQTJNVASSA-N 1 1 391.540 4.133 20 0 GIADMO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1Cl ZINC000461455599 823641290 /nfs/dbraw/zinc/64/12/90/823641290.db2.gz LSUBKSFGSVNYJH-MSOLQXFVSA-N 1 1 386.898 4.382 20 0 GIADMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461457672 823641707 /nfs/dbraw/zinc/64/17/07/823641707.db2.gz QRCALZCOVKVHPB-MOPGFXCFSA-N 1 1 388.433 4.300 20 0 GIADMO O=C(Cc1ccc(O)cc1Cl)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461464465 823642768 /nfs/dbraw/zinc/64/27/68/823642768.db2.gz BAJKJICKKXRCBX-GOSISDBHSA-N 1 1 386.923 4.007 20 0 GIADMO C[C@H](CNC(=O)N(CCc1ccccc1)Cc1cccnc1)[N@H+]1CCCC[C@@H]1C ZINC000062646740 823643109 /nfs/dbraw/zinc/64/31/09/823643109.db2.gz KYKDTHWYXFYLNE-LEWJYISDSA-N 1 1 394.563 4.099 20 0 GIADMO C[N@H+]1CCC[C@H](NC(=O)NCCCN2c3ccccc3Sc3ccccc32)C1 ZINC000062647094 823643238 /nfs/dbraw/zinc/64/32/38/823643238.db2.gz DQLJUUXGGXVXRG-KRWDZBQOSA-N 1 1 396.560 4.073 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1coc(C2CCCC2)n1 ZINC000461469094 823643554 /nfs/dbraw/zinc/64/35/54/823643554.db2.gz URRCGPGMZIMICL-LJQANCHMSA-N 1 1 381.520 4.364 20 0 GIADMO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000191063449 823644011 /nfs/dbraw/zinc/64/40/11/823644011.db2.gz DEJJOFIXCSFQCH-AWEZNQCLSA-N 1 1 394.401 4.059 20 0 GIADMO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412307459 823645091 /nfs/dbraw/zinc/64/50/91/823645091.db2.gz HSZSBFDBFCWYJA-UHFFFAOYSA-N 1 1 379.913 4.005 20 0 GIADMO O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412319284 823646006 /nfs/dbraw/zinc/64/60/06/823646006.db2.gz STIIXPLPNMFNRG-UHFFFAOYSA-N 1 1 393.453 4.152 20 0 GIADMO C[C@H]1CN(C(=O)C[C@H](c2ccc(O)cc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000412385627 823651518 /nfs/dbraw/zinc/65/15/18/823651518.db2.gz WYBPZECVRBYFHV-DVECYGJZSA-N 1 1 392.543 4.256 20 0 GIADMO C[C@H]1CN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000412385628 823651531 /nfs/dbraw/zinc/65/15/31/823651531.db2.gz WYBPZECVRBYFHV-NTKDMRAZSA-N 1 1 392.543 4.256 20 0 GIADMO C[C@H](SCc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000063128701 823652392 /nfs/dbraw/zinc/65/23/92/823652392.db2.gz XWRGZEILNCHYDZ-JXFKEZNVSA-N 1 1 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LYJISSFRLSVHJZ-SWLSCSKDSA-N 1 1 393.350 4.069 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)[C@@H]1CCSC1 ZINC000126400604 823857646 /nfs/dbraw/zinc/85/76/46/823857646.db2.gz LUILKZVHASBXOV-OAHLLOKOSA-N 1 1 378.444 4.133 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1)[C@@H]1CCSC1 ZINC000126400604 823857653 /nfs/dbraw/zinc/85/76/53/823857653.db2.gz LUILKZVHASBXOV-OAHLLOKOSA-N 1 1 378.444 4.133 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1cccnc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000165680835 823858422 /nfs/dbraw/zinc/85/84/22/823858422.db2.gz OHRWILVHLVMQAS-YOEHRIQHSA-N 1 1 375.900 4.004 20 0 GIADMO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2nnc(-c3ccccc3Cl)o2)cc1F ZINC000192111536 823863543 /nfs/dbraw/zinc/86/35/43/823863543.db2.gz NCZMMNNMPVYDPF-SJLPKXTDSA-N 1 1 391.805 4.288 20 0 GIADMO C[C@H]([NH2+][C@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000165838547 823864245 /nfs/dbraw/zinc/86/42/45/823864245.db2.gz GDMPHXVRPLGDCU-NYHFZMIOSA-N 1 1 391.425 4.381 20 0 GIADMO 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RVEIKQONUATSTI-SJBKTWHCSA-N 1 1 378.495 4.133 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1)[NH+](C)C ZINC000064753596 823880540 /nfs/dbraw/zinc/88/05/40/823880540.db2.gz WLKTYELZVIIDQG-VXKWHMMOSA-N 1 1 395.547 4.461 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cccc(N2CCCC2)c1 ZINC000064754315 823881150 /nfs/dbraw/zinc/88/11/50/823881150.db2.gz CRVQSEMMPIJBOS-SFHVURJKSA-N 1 1 398.576 4.382 20 0 GIADMO CN1C(=O)C[C@H]([NH2+]Cc2coc(-c3cccs3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000192151823 823882098 /nfs/dbraw/zinc/88/20/98/823882098.db2.gz HVLQVJFZQXGVBK-YJBOKZPZSA-N 1 1 387.892 4.118 20 0 GIADMO Cc1nc(-c2ccccc2)c(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)s1 ZINC000574997278 823882935 /nfs/dbraw/zinc/88/29/35/823882935.db2.gz NJFVIUMOHQCRFK-FOIQADDNSA-N 1 1 382.489 4.094 20 0 GIADMO CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(c3ccncc3)CC1)n2CC ZINC000575020816 823890070 /nfs/dbraw/zinc/89/00/70/823890070.db2.gz DBRJNMQEOBRFFN-UHFFFAOYSA-N 1 1 392.503 4.008 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cccnc1Cl ZINC000167346692 823890325 /nfs/dbraw/zinc/89/03/25/823890325.db2.gz VLQHBURENWEYGH-HNNXBMFYSA-N 1 1 395.894 4.303 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000462244607 823893691 /nfs/dbraw/zinc/89/36/91/823893691.db2.gz LJZINIBBLIKMNV-OXQOHEQNSA-N 1 1 392.528 4.452 20 0 GIADMO COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462246749 823895223 /nfs/dbraw/zinc/89/52/23/823895223.db2.gz SBSIPWQQPPRRBR-UHFFFAOYSA-N 1 1 393.443 4.324 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)c(F)c1 ZINC000167772490 823895325 /nfs/dbraw/zinc/89/53/25/823895325.db2.gz FJEFLALGFZVXDY-LSDHHAIUSA-N 1 1 390.474 4.346 20 0 GIADMO CCS[C@H](C)c1noc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000126551481 823896662 /nfs/dbraw/zinc/89/66/62/823896662.db2.gz QKAYNZLFEZYSMR-QGZVFWFLSA-N 1 1 388.581 4.228 20 0 GIADMO COc1cc([C@@H](C)[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000167856841 823897048 /nfs/dbraw/zinc/89/70/48/823897048.db2.gz NEOPQMHYUHNJEJ-SJORKVTESA-N 1 1 386.536 4.492 20 0 GIADMO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167903570 823898414 /nfs/dbraw/zinc/89/84/14/823898414.db2.gz LQWJZFHZWUNCCS-VQIMIIECSA-N 1 1 398.555 4.461 20 0 GIADMO Cc1nn(C)c(C)c1C[NH2+]Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000168207665 823900766 /nfs/dbraw/zinc/90/07/66/823900766.db2.gz JMZFDXHCCKCLPP-UHFFFAOYSA-N 1 1 385.943 4.348 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1csc(-c2ccccc2)n1 ZINC000414075512 823902655 /nfs/dbraw/zinc/90/26/55/823902655.db2.gz PBJSLMOAZZILGS-DLBZAZTESA-N 1 1 394.544 4.281 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414076354 823903216 /nfs/dbraw/zinc/90/32/16/823903216.db2.gz OPVTZIYEHKGABN-QGZVFWFLSA-N 1 1 379.529 4.498 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000414078887 823903772 /nfs/dbraw/zinc/90/37/72/823903772.db2.gz SJJBJPASAQOZKC-CVEARBPZSA-N 1 1 380.467 4.152 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NCc2noc3ccccc23)CC1)CC(C)C ZINC000575069756 823904017 /nfs/dbraw/zinc/90/40/17/823904017.db2.gz HODJODIZIQNABY-UHFFFAOYSA-N 1 1 386.540 4.117 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462262599 823904259 /nfs/dbraw/zinc/90/42/59/823904259.db2.gz MEDMBQLMMLRCQY-NVXWUHKLSA-N 1 1 389.446 4.238 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc(N2CCCC2)[nH+]1 ZINC000462262697 823904405 /nfs/dbraw/zinc/90/44/05/823904405.db2.gz UTRGRSGSKSGBEI-LPHOPBHVSA-N 1 1 382.508 4.266 20 0 GIADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000575074924 823905127 /nfs/dbraw/zinc/90/51/27/823905127.db2.gz OILUSPLWZZHXKI-ROUUACIJSA-N 1 1 395.469 4.025 20 0 GIADMO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(Br)c1 ZINC000168812671 823906142 /nfs/dbraw/zinc/90/61/42/823906142.db2.gz QRPWCBWATOWWSF-KRWDZBQOSA-N 1 1 391.309 4.308 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1csc(-c2ccccc2)n1 ZINC000414093102 823907414 /nfs/dbraw/zinc/90/74/14/823907414.db2.gz MAZBARLNFLYBMM-LPHOPBHVSA-N 1 1 377.513 4.262 20 0 GIADMO Cc1cc(CNC(=O)N[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000462271361 823908223 /nfs/dbraw/zinc/90/82/23/823908223.db2.gz SRWUYHKWKIDCOO-OYHNWAKOSA-N 1 1 398.938 4.378 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=S)Nc2cccc(Br)c2)C1 ZINC000064903710 823908615 /nfs/dbraw/zinc/90/86/15/823908615.db2.gz GIAMRYBTFDAWKQ-CYBMUJFWSA-N 1 1 384.387 4.246 20 0 GIADMO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000169127655 823908677 /nfs/dbraw/zinc/90/86/77/823908677.db2.gz PEJVFKZPZYSNIH-KRWDZBQOSA-N 1 1 399.560 4.036 20 0 GIADMO Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1Cl ZINC000169195337 823909298 /nfs/dbraw/zinc/90/92/98/823909298.db2.gz GTDOTDJPXPWEPG-UHFFFAOYSA-N 1 1 378.850 4.321 20 0 GIADMO Cc1cc(CNC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000462275511 823909665 /nfs/dbraw/zinc/90/96/65/823909665.db2.gz GGKDNZFWJHLTSK-JOCHJYFZSA-N 1 1 392.547 4.297 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1)c1ccn(C)n1 ZINC000414100021 823909762 /nfs/dbraw/zinc/90/97/62/823909762.db2.gz JVTDGJOHEOEDRN-CYBMUJFWSA-N 1 1 376.382 4.477 20 0 GIADMO C[C@H](NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106743 823911329 /nfs/dbraw/zinc/91/13/29/823911329.db2.gz RHEAUQABDNPFIK-IOMROCGXSA-N 1 1 393.556 4.096 20 0 GIADMO C[C@H](NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106743 823911338 /nfs/dbraw/zinc/91/13/38/823911338.db2.gz RHEAUQABDNPFIK-IOMROCGXSA-N 1 1 393.556 4.096 20 0 GIADMO Cc1cc(CNC(=O)NC(C)(C)c2ccc(F)c(F)c2)cc(N2CCCC2)[nH+]1 ZINC000462281522 823911518 /nfs/dbraw/zinc/91/15/18/823911518.db2.gz SXPXWQIPUMXKJB-UHFFFAOYSA-N 1 1 388.462 4.003 20 0 GIADMO CCOc1ccc(F)c(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000462290048 823914009 /nfs/dbraw/zinc/91/40/09/823914009.db2.gz KRKXXGVJMWCFJE-PBHICJAKSA-N 1 1 389.446 4.006 20 0 GIADMO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1csc(-c2ccccc2)n1 ZINC000414123543 823914514 /nfs/dbraw/zinc/91/45/14/823914514.db2.gz ORJWAWWTRPCGIB-QFBILLFUSA-N 1 1 379.529 4.160 20 0 GIADMO CC[C@H](C)n1ncc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C1CC1 ZINC000462297936 823915348 /nfs/dbraw/zinc/91/53/48/823915348.db2.gz NGKDXUBVZFWWSB-WWMYMODYSA-N 1 1 395.551 4.374 20 0 GIADMO CC(C)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000462306244 823919206 /nfs/dbraw/zinc/91/92/06/823919206.db2.gz QEMDIIGSEHNIRO-YLJYHZDGSA-N 1 1 392.590 4.233 20 0 GIADMO Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462307844 823919314 /nfs/dbraw/zinc/91/93/14/823919314.db2.gz YIKUPRAOLJZHKH-KBXCAEBGSA-N 1 1 398.981 4.071 20 0 GIADMO CSc1cccc(N(C)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000575135253 823920480 /nfs/dbraw/zinc/92/04/80/823920480.db2.gz YKOLAAZZXSAEFR-MRXNPFEDSA-N 1 1 385.533 4.470 20 0 GIADMO CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000170629667 823922032 /nfs/dbraw/zinc/92/20/32/823922032.db2.gz ZVJOQNBQPLZJKH-JOCHJYFZSA-N 1 1 377.488 4.036 20 0 GIADMO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000575147483 823923515 /nfs/dbraw/zinc/92/35/15/823923515.db2.gz FTPCZSXPPDCJON-OAHLLOKOSA-N 1 1 381.501 4.423 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc(OC)c1 ZINC000126679504 823925824 /nfs/dbraw/zinc/92/58/24/823925824.db2.gz NSLGLTNKWDQKRB-VGOFRKELSA-N 1 1 385.527 4.388 20 0 GIADMO C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1ccccc1Br ZINC000414196217 823925889 /nfs/dbraw/zinc/92/58/89/823925889.db2.gz XWIYTGIJSLFTCL-FUEDEBDSSA-N 1 1 382.323 4.434 20 0 GIADMO Brc1ccc(N2CC[C@@H]([NH2+][C@H](c3ncc[nH]3)c3ccccc3)C2)cc1 ZINC000126682299 823926365 /nfs/dbraw/zinc/92/63/65/823926365.db2.gz YDUFYYUAZAFOND-MJGOQNOKSA-N 1 1 397.320 4.130 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651327 823927478 /nfs/dbraw/zinc/92/74/78/823927478.db2.gz AWHWBSMBIFQVIW-UHFFFAOYSA-N 1 1 383.511 4.466 20 0 GIADMO CC[C@H]1C[N@@H+](CCCc2ccncc2)[C@@H](CC)CN1CCCc1ccncc1 ZINC000462334383 823928614 /nfs/dbraw/zinc/92/86/14/823928614.db2.gz JMDZIVKVOXOSDZ-ZEQRLZLVSA-N 1 1 380.580 4.217 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1F ZINC000126691780 823928770 /nfs/dbraw/zinc/92/87/70/823928770.db2.gz FRYKGFCLRLSWKH-JKSUJKDBSA-N 1 1 389.490 4.137 20 0 GIADMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000575164147 823928830 /nfs/dbraw/zinc/92/88/30/823928830.db2.gz WPOKYKOIFBTZPP-AGLCIYDFSA-N 1 1 378.516 4.133 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1F ZINC000126692051 823928955 /nfs/dbraw/zinc/92/89/55/823928955.db2.gz FRYKGFCLRLSWKH-HZPDHXFCSA-N 1 1 389.490 4.137 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000414208758 823929042 /nfs/dbraw/zinc/92/90/42/823929042.db2.gz JIAOYLVKDODDJC-SFHVURJKSA-N 1 1 397.899 4.276 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000414211520 823929586 /nfs/dbraw/zinc/92/95/86/823929586.db2.gz PCJNDDFLNZEMKP-JTQLQIEISA-N 1 1 391.842 4.402 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(OC)cc1 ZINC000126698789 823930054 /nfs/dbraw/zinc/93/00/54/823930054.db2.gz REGKDEKBLGABJT-VGSWGCGISA-N 1 1 385.527 4.388 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(OC)cc1 ZINC000126699065 823930603 /nfs/dbraw/zinc/93/06/03/823930603.db2.gz REGKDEKBLGABJT-VGOFRKELSA-N 1 1 385.527 4.388 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](CC(C)C)c2ccccn2)c1 ZINC000414215021 823930864 /nfs/dbraw/zinc/93/08/64/823930864.db2.gz WSWPVTCVYLSGHK-LJQANCHMSA-N 1 1 380.941 4.406 20 0 GIADMO CCOc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000414214619 823931218 /nfs/dbraw/zinc/93/12/18/823931218.db2.gz VXZIXKNYTHHUNC-AWEZNQCLSA-N 1 1 381.925 4.383 20 0 GIADMO CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000126708012 823932488 /nfs/dbraw/zinc/93/24/88/823932488.db2.gz XJXOZWQNZLYTDX-ROUUACIJSA-N 1 1 385.527 4.388 20 0 GIADMO COc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(Cl)c(OC)c1 ZINC000414223144 823932764 /nfs/dbraw/zinc/93/27/64/823932764.db2.gz PIZKYFUJAUWLQD-RHSMWYFYSA-N 1 1 375.900 4.075 20 0 GIADMO CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000414223506 823933145 /nfs/dbraw/zinc/93/31/45/823933145.db2.gz OZHWBEAHNLREGW-IAGOWNOFSA-N 1 1 394.334 4.409 20 0 GIADMO C[C@H]1C[C@H]([NH2+]Cc2ccccc2S(C)(=O)=O)c2cccc(Br)c21 ZINC000414231704 823934446 /nfs/dbraw/zinc/93/44/46/823934446.db2.gz HTTZNFFUWMUPGY-LRDDRELGSA-N 1 1 394.334 4.191 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000170678394 823935222 /nfs/dbraw/zinc/93/52/22/823935222.db2.gz UJPFRZNLUQTMKN-JOCHJYFZSA-N 1 1 388.515 4.062 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000462352743 823936731 /nfs/dbraw/zinc/93/67/31/823936731.db2.gz OUGUVURICVYJKX-NRFANRHFSA-N 1 1 382.939 4.097 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cc(C)ccc1Br ZINC000414245251 823939138 /nfs/dbraw/zinc/93/91/38/823939138.db2.gz ADMVYCLBHHDVHE-CQSZACIVSA-N 1 1 392.293 4.160 20 0 GIADMO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000575212570 823940198 /nfs/dbraw/zinc/94/01/98/823940198.db2.gz FDDVARRMCIAZHH-CWRNSKLLSA-N 1 1 382.291 4.169 20 0 GIADMO Cc1ccc(Br)c(CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414260866 823944863 /nfs/dbraw/zinc/94/48/63/823944863.db2.gz NDXPDZPRBBTPOQ-OXQOHEQNSA-N 1 1 388.353 4.153 20 0 GIADMO Cc1ccc(Br)c(CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414260866 823944865 /nfs/dbraw/zinc/94/48/65/823944865.db2.gz NDXPDZPRBBTPOQ-OXQOHEQNSA-N 1 1 388.353 4.153 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000414267739 823946621 /nfs/dbraw/zinc/94/66/21/823946621.db2.gz WSAVZPODAOHYEZ-MRXNPFEDSA-N 1 1 387.423 4.230 20 0 GIADMO CC(C)c1c(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cnn1-c1ccccc1 ZINC000192330586 823947994 /nfs/dbraw/zinc/94/79/94/823947994.db2.gz WYKGNCXFSFKBSW-SFHVURJKSA-N 1 1 383.540 4.334 20 0 GIADMO CC(C)c1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cnn1-c1ccccc1 ZINC000192332329 823948968 /nfs/dbraw/zinc/94/89/68/823948968.db2.gz OOEJKBOUEXRYJQ-QUCCMNQESA-N 1 1 395.551 4.475 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(N3CCCCCC3)nc2)C1 ZINC000065140483 823950462 /nfs/dbraw/zinc/95/04/62/823950462.db2.gz UYPZZCHCFZYSOU-SIKLNZKXSA-N 1 1 392.547 4.027 20 0 GIADMO COCCC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(Br)cc1 ZINC000414331863 823959796 /nfs/dbraw/zinc/95/97/96/823959796.db2.gz UNTLEUPSDDNSBL-HNNXBMFYSA-N 1 1 396.354 4.436 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@H]3CCCc4c(O)cccc43)co2)cc1 ZINC000192366603 823960626 /nfs/dbraw/zinc/96/06/26/823960626.db2.gz WXYBEYFNFRYFDU-IBGZPJMESA-N 1 1 378.428 4.001 20 0 GIADMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 ZINC000414350203 823962826 /nfs/dbraw/zinc/96/28/26/823962826.db2.gz QEZCVSITVMGJLG-UYAOXDASSA-N 1 1 384.886 4.171 20 0 GIADMO Cc1cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)ccc1C(F)(F)F ZINC000414356963 823963601 /nfs/dbraw/zinc/96/36/01/823963601.db2.gz AYNUWYZFHGPTOV-CYBMUJFWSA-N 1 1 394.401 4.059 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000414357622 823964538 /nfs/dbraw/zinc/96/45/38/823964538.db2.gz DPZZPELYBOHQQC-GOSISDBHSA-N 1 1 394.494 4.325 20 0 GIADMO Fc1cccc(F)c1CN1CCC[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126858999 823968035 /nfs/dbraw/zinc/96/80/35/823968035.db2.gz ZCEFRDFBGAMDCX-DYESRHJHSA-N 1 1 382.458 4.032 20 0 GIADMO Cc1sc([C@H](C)[NH2+]Cc2cnc(N(C)C)n2C)nc1-c1ccc(Cl)cc1 ZINC000414375998 823968528 /nfs/dbraw/zinc/96/85/28/823968528.db2.gz GPAHDBMBLQQAMU-LBPRGKRZSA-N 1 1 389.956 4.422 20 0 GIADMO CC[C@@H](CNC(=O)CCc1cncc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000462422476 823969568 /nfs/dbraw/zinc/96/95/68/823969568.db2.gz ZADXVGGQAALLSO-QHCPKHFHSA-N 1 1 387.527 4.121 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccnc2Br)cc1 ZINC000126867662 823969914 /nfs/dbraw/zinc/96/99/14/823969914.db2.gz MBXTYWKKGIZZRI-CQSZACIVSA-N 1 1 388.309 4.471 20 0 GIADMO CCc1ncc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cn1 ZINC000414380333 823969902 /nfs/dbraw/zinc/96/99/02/823969902.db2.gz ITXVIQAVVQEQGU-INIZCTEOSA-N 1 1 383.883 4.122 20 0 GIADMO O=C(NC1CCC(c2ccccc2)CC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170800996 823974338 /nfs/dbraw/zinc/97/43/38/823974338.db2.gz PHXMYFIFLGSXDQ-LLAFXHEGSA-N 1 1 392.543 4.027 20 0 GIADMO O=C(Nc1cccc(OC2CCCC2)c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170800843 823974443 /nfs/dbraw/zinc/97/44/43/823974443.db2.gz DAKWABOKYVITRC-HSZRJFAPSA-N 1 1 394.515 4.145 20 0 GIADMO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)c(C)c3)CC2)no1 ZINC000414439837 823986041 /nfs/dbraw/zinc/98/60/41/823986041.db2.gz SZEGBPPVTBAMND-QGZVFWFLSA-N 1 1 396.457 4.192 20 0 GIADMO OCC[C@H]1CN(CC2CCC(F)(F)CC2)CC[N@H+]1CC1CCC(F)(F)CC1 ZINC000575759683 823988241 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GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc3c(cc2Br)CCC3)[C@H](C)C1 ZINC000192464118 824000729 /nfs/dbraw/zinc/00/07/29/824000729.db2.gz HBVJYCMCECLLOW-ACJLOTCBSA-N 1 1 394.357 4.132 20 0 GIADMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(-c4ccccc4Cl)nc4ccccc43)C[C@H]2C1 ZINC000192464293 824000747 /nfs/dbraw/zinc/00/07/47/824000747.db2.gz AIGPAFWVYHQCNG-IYBDPMFKSA-N 1 1 391.902 4.189 20 0 GIADMO COc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)ccc1OCC(F)(F)F ZINC000414529555 824003043 /nfs/dbraw/zinc/00/30/43/824003043.db2.gz PKNVCOIHFSGXEF-SFHVURJKSA-N 1 1 387.442 4.273 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000170913386 824003997 /nfs/dbraw/zinc/00/39/97/824003997.db2.gz JQHFZYLOYMCGSD-UHFFFAOYSA-N 1 1 385.321 4.059 20 0 GIADMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000414546457 824007939 /nfs/dbraw/zinc/00/79/39/824007939.db2.gz HIWZJBLHVGMXSE-KRWDZBQOSA-N 1 1 388.458 4.418 20 0 GIADMO CC[N@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)Cc1occc1C ZINC000414547174 824007956 /nfs/dbraw/zinc/00/79/56/824007956.db2.gz HJWYVVXYFBWHPW-UHFFFAOYSA-N 1 1 381.476 4.172 20 0 GIADMO C[C@H](Oc1ccc(Cl)c(Cl)c1)c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000575836343 824008024 /nfs/dbraw/zinc/00/80/24/824008024.db2.gz BJBMBAHXHGLYTP-POHZPAGDSA-N 1 1 398.290 4.442 20 0 GIADMO C[C@H](Oc1ccc(Cl)c(Cl)c1)c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000575836343 824008029 /nfs/dbraw/zinc/00/80/29/824008029.db2.gz BJBMBAHXHGLYTP-POHZPAGDSA-N 1 1 398.290 4.442 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1)c1cccc(Br)c1 ZINC000414550452 824008826 /nfs/dbraw/zinc/00/88/26/824008826.db2.gz NBCFKVJYWPFIJR-CRAIPNDOSA-N 1 1 379.342 4.030 20 0 GIADMO C[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)[C@H]1CCc2ccccc21 ZINC000170938310 824008999 /nfs/dbraw/zinc/00/89/99/824008999.db2.gz NYEUVLREHCJOCW-SFHVURJKSA-N 1 1 383.289 4.341 20 0 GIADMO CC(C)n1cc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000170944327 824010318 /nfs/dbraw/zinc/01/03/18/824010318.db2.gz GNUCSYATIGPPKA-UHFFFAOYSA-N 1 1 380.458 4.191 20 0 GIADMO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414556483 824011114 /nfs/dbraw/zinc/01/11/14/824011114.db2.gz VXOVXEMDYMINSR-HRYDCMBCSA-N 1 1 378.463 4.168 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cn(C(C)C)nc1C)C(C)C ZINC000414559557 824012385 /nfs/dbraw/zinc/01/23/85/824012385.db2.gz QCCLUYSSZILXDK-IBGZPJMESA-N 1 1 391.581 4.145 20 0 GIADMO Fc1ccc(-n2nccc2C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000414561283 824013169 /nfs/dbraw/zinc/01/31/69/824013169.db2.gz SCOCCZFUQKHHPW-QFIPXVFZSA-N 1 1 377.463 4.365 20 0 GIADMO Fc1ccc(-n2nccc2C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000414561283 824013174 /nfs/dbraw/zinc/01/31/74/824013174.db2.gz SCOCCZFUQKHHPW-QFIPXVFZSA-N 1 1 377.463 4.365 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)sc2C1 ZINC000127115349 824020317 /nfs/dbraw/zinc/02/03/17/824020317.db2.gz UEIOTYKNIZMOJC-QWRGUYRKSA-N 1 1 379.888 4.056 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)sc2C1 ZINC000127115349 824020327 /nfs/dbraw/zinc/02/03/27/824020327.db2.gz UEIOTYKNIZMOJC-QWRGUYRKSA-N 1 1 379.888 4.056 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000127117903 824020672 /nfs/dbraw/zinc/02/06/72/824020672.db2.gz HCLTVBBRFKDMFS-ZOBUZTSGSA-N 1 1 380.602 4.398 20 0 GIADMO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000127117933 824020841 /nfs/dbraw/zinc/02/08/41/824020841.db2.gz CZJNAVMWJYTXCE-MOPGFXCFSA-N 1 1 380.536 4.216 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)cc(OC)c1OCC(F)F ZINC000575907065 824025912 /nfs/dbraw/zinc/02/59/12/824025912.db2.gz WBEVOXPCUWLNFM-SFHVURJKSA-N 1 1 391.458 4.337 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1 ZINC000575907601 824026346 /nfs/dbraw/zinc/02/63/46/824026346.db2.gz NRDCANZGHWJBSH-GHTZIAJQSA-N 1 1 384.520 4.185 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1 ZINC000575907603 824026398 /nfs/dbraw/zinc/02/63/98/824026398.db2.gz NRDCANZGHWJBSH-RXVVDRJESA-N 1 1 384.520 4.185 20 0 GIADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000575916226 824029026 /nfs/dbraw/zinc/02/90/26/824029026.db2.gz WKTQICDMLYFMEE-OAHLLOKOSA-N 1 1 375.463 4.082 20 0 GIADMO O=C([C@@H]1CC[NH2+]CC1(F)F)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000575915740 824029294 /nfs/dbraw/zinc/02/92/94/824029294.db2.gz PQCHPHHKGJNKCK-GJZGRUSLSA-N 1 1 376.369 4.004 20 0 GIADMO CCC[N@@H+](CCc1ncc(C)cc1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000575919461 824029633 /nfs/dbraw/zinc/02/96/33/824029633.db2.gz HXWHUNUTEKEASE-UHFFFAOYSA-N 1 1 381.568 4.029 20 0 GIADMO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575933333 824032037 /nfs/dbraw/zinc/03/20/37/824032037.db2.gz KGOQWMSWEHTDBG-IBGZPJMESA-N 1 1 393.531 4.440 20 0 GIADMO CCCN(C(=O)N[C@@H](C)c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000171003287 824033721 /nfs/dbraw/zinc/03/37/21/824033721.db2.gz RPAMJLYCCCCDJW-FPOVZHCZSA-N 1 1 380.536 4.229 20 0 GIADMO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(C2CCCCC2)n1 ZINC000575953935 824036184 /nfs/dbraw/zinc/03/61/84/824036184.db2.gz ZNQPMSZZRDVOJS-FQEVSTJZSA-N 1 1 399.514 4.003 20 0 GIADMO Cn1cc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(C2CCCCC2)n1 ZINC000575953935 824036192 /nfs/dbraw/zinc/03/61/92/824036192.db2.gz ZNQPMSZZRDVOJS-FQEVSTJZSA-N 1 1 399.514 4.003 20 0 GIADMO CCCOc1c(Br)cc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414855821 824042609 /nfs/dbraw/zinc/04/26/09/824042609.db2.gz NSYJWQZMSLPBDP-HOCLYGCPSA-N 1 1 399.373 4.114 20 0 GIADMO Cc1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)ccc1-n1cncn1 ZINC000575976135 824042765 /nfs/dbraw/zinc/04/27/65/824042765.db2.gz TZKZPNWTJIOGEH-UHFFFAOYSA-N 1 1 376.382 4.106 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cc(Cl)c(Cl)cc1O ZINC000192602663 824043650 /nfs/dbraw/zinc/04/36/50/824043650.db2.gz XKORXXKYGZJRBU-SSDOTTSWSA-N 1 1 393.192 4.406 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@H](c3ccc(OC)cc3)C3CC3)n2)cc1 ZINC000192609047 824044835 /nfs/dbraw/zinc/04/48/35/824044835.db2.gz RISQRELMDDBDFE-NRFANRHFSA-N 1 1 379.460 4.385 20 0 GIADMO Cc1nc(-c2cccnc2)nc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC000575992754 824045716 /nfs/dbraw/zinc/04/57/16/824045716.db2.gz IVIFHPQTGPIEJI-RUZDIDTESA-N 1 1 399.542 4.258 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000192616133 824046191 /nfs/dbraw/zinc/04/61/91/824046191.db2.gz KZXPJTNRAPVWJZ-CQSZACIVSA-N 1 1 395.330 4.382 20 0 GIADMO CC(=O)c1cc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)ccc1C ZINC000576012609 824049887 /nfs/dbraw/zinc/04/98/87/824049887.db2.gz YPSIMUBHXPYPFM-NRFANRHFSA-N 1 1 376.456 4.052 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000576032262 824054205 /nfs/dbraw/zinc/05/42/05/824054205.db2.gz CHUQFNDEPCMKHS-LBPRGKRZSA-N 1 1 378.385 4.368 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cn1 ZINC000090682849 209238480 /nfs/dbraw/zinc/23/84/80/209238480.db2.gz KBLXYWJPJIPPAW-UHFFFAOYSA-N 1 1 393.834 4.445 20 0 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ZINC001164629859 719082435 /nfs/dbraw/zinc/08/24/35/719082435.db2.gz ZOYGTCRZHYAYAA-GHTZIAJQSA-N 1 1 383.499 4.212 20 0 GIADMO Clc1ccc2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001164623619 719083368 /nfs/dbraw/zinc/08/33/68/719083368.db2.gz JZQVZYPYZBRDTA-GHTZIAJQSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1ccnc2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc12 ZINC001164628922 719085851 /nfs/dbraw/zinc/08/58/51/719085851.db2.gz UWSLYDRGTIEAQF-LAUBAEHRSA-N 1 1 378.907 4.384 20 0 GIADMO c1ccc(Cc2nccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)cc1 ZINC001164629857 719103611 /nfs/dbraw/zinc/10/36/11/719103611.db2.gz TYZHIULCJHTMAO-GOTSBHOMSA-N 1 1 384.527 4.168 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164647536 719310804 /nfs/dbraw/zinc/31/08/04/719310804.db2.gz CNOFIZGJTFIYDL-UHFFFAOYSA-N 1 1 383.927 4.290 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c(F)cccc42)CC3)cs1 ZINC001164694427 719807689 /nfs/dbraw/zinc/80/76/89/719807689.db2.gz 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Cc1noc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000570553634 823053622 /nfs/dbraw/zinc/05/36/22/823053622.db2.gz XAXLQFQBCLSVQG-FQEVSTJZSA-N 1 1 392.459 4.336 20 0 GIADMO Cc1noc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000570553634 823053627 /nfs/dbraw/zinc/05/36/27/823053627.db2.gz XAXLQFQBCLSVQG-FQEVSTJZSA-N 1 1 392.459 4.336 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000175846520 823053892 /nfs/dbraw/zinc/05/38/92/823053892.db2.gz UFKXBKOUMRZNBT-SFHVURJKSA-N 1 1 388.537 4.060 20 0 GIADMO O=C(c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1)N1CCCC1 ZINC000175850134 823055298 /nfs/dbraw/zinc/05/52/98/823055298.db2.gz FMJYJZHERYYXJD-UXHICEINSA-N 1 1 384.545 4.072 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)Nc1cc(F)ccc1F ZINC000175853242 823056053 /nfs/dbraw/zinc/05/60/53/823056053.db2.gz CHEISVLFRSATPN-MAUKXSAKSA-N 1 1 394.487 4.333 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1)Nc1cc(F)ccc1F ZINC000175853242 823056056 /nfs/dbraw/zinc/05/60/56/823056056.db2.gz CHEISVLFRSATPN-MAUKXSAKSA-N 1 1 394.487 4.333 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)Nc1cc(F)ccc1F ZINC000175853296 823056105 /nfs/dbraw/zinc/05/61/05/823056105.db2.gz CHEISVLFRSATPN-QAPCUYQASA-N 1 1 394.487 4.333 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)Nc1cc(F)ccc1F ZINC000175853296 823056109 /nfs/dbraw/zinc/05/61/09/823056109.db2.gz CHEISVLFRSATPN-QAPCUYQASA-N 1 1 394.487 4.333 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)c1cccs1 ZINC000175859895 823057301 /nfs/dbraw/zinc/05/73/01/823057301.db2.gz KSFWHIJFHRLTHL-BBWFWOEESA-N 1 1 392.590 4.355 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175859492 823057354 /nfs/dbraw/zinc/05/73/54/823057354.db2.gz FTCOESCJRIXZSA-ICSRJNTNSA-N 1 1 382.529 4.458 20 0 GIADMO CSc1ccc(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000175862864 823058006 /nfs/dbraw/zinc/05/80/06/823058006.db2.gz IAOTYUWLEDXOSM-HXUWFJFHSA-N 1 1 383.561 4.072 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)C2)C1 ZINC000458590873 823060213 /nfs/dbraw/zinc/06/02/13/823060213.db2.gz CYKMPCZKZORLMS-QUCCMNQESA-N 1 1 395.469 4.284 20 0 GIADMO Cc1ccc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)c(C)n1 ZINC000187420116 823060356 /nfs/dbraw/zinc/06/03/56/823060356.db2.gz WBHFPJXMVQVWIC-CYBMUJFWSA-N 1 1 377.282 4.083 20 0 GIADMO COc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c(OC)c1 ZINC000570617642 823063210 /nfs/dbraw/zinc/06/32/10/823063210.db2.gz BVTRJZSQGSCLKF-KGLIPLIRSA-N 1 1 395.931 4.132 20 0 GIADMO O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000570605662 823061265 /nfs/dbraw/zinc/06/12/65/823061265.db2.gz AKYOEPZBAAQIHD-JAXLGGSGSA-N 1 1 397.950 4.400 20 0 GIADMO COc1ccccc1CSc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000120778613 823062176 /nfs/dbraw/zinc/06/21/76/823062176.db2.gz GIDFVTINSLDHDD-KRWDZBQOSA-N 1 1 399.560 4.451 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3cc(C)ccc3Cl)CC2)oc1C ZINC000120786675 823064072 /nfs/dbraw/zinc/06/40/72/823064072.db2.gz RMOZQNPABMXZPV-UHFFFAOYSA-N 1 1 390.915 4.287 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458634405 823067882 /nfs/dbraw/zinc/06/78/82/823067882.db2.gz QAXCERMOFLIBNT-UGUYLWEFSA-N 1 1 375.479 4.012 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H]3c3cccc(C)c3)cc(=O)oc2c1 ZINC000055910933 823066244 /nfs/dbraw/zinc/06/62/44/823066244.db2.gz NWOXQNFOLCEJHA-OAQYLSRUSA-N 1 1 376.456 4.397 20 0 GIADMO C[C@@H](NC(=O)N1CC(c2ccc(Cl)cc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458641876 823068541 /nfs/dbraw/zinc/06/85/41/823068541.db2.gz WCLUSUFFOJALOZ-WBVHZDCISA-N 1 1 375.944 4.102 20 0 GIADMO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458644503 823068814 /nfs/dbraw/zinc/06/88/14/823068814.db2.gz XVOULGFBFKWTNL-AOIWGVFYSA-N 1 1 375.532 4.051 20 0 GIADMO COc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc(Cl)c1OC ZINC000120817226 823070016 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20 0 GIADMO C[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ncc(Br)cc1F ZINC000187487866 823073655 /nfs/dbraw/zinc/07/36/55/823073655.db2.gz GELSNHHSVGVTHV-GXTWGEPZSA-N 1 1 387.293 4.100 20 0 GIADMO C[N@@H+](CCc1ccncc1)Cc1cc(Br)cc(Br)c1 ZINC000570727882 823076998 /nfs/dbraw/zinc/07/69/98/823076998.db2.gz KCSJLFIIJZNPAN-UHFFFAOYSA-N 1 1 384.115 4.281 20 0 GIADMO Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458708097 823077043 /nfs/dbraw/zinc/07/70/43/823077043.db2.gz PWWSFQRRMXHUOD-IEBWSBKVSA-N 1 1 383.458 4.116 20 0 GIADMO CCC1(CC)CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000458697229 823075495 /nfs/dbraw/zinc/07/54/95/823075495.db2.gz SGLFDIKRFLTULS-YOFSQIOKSA-N 1 1 379.589 4.019 20 0 GIADMO CC(C)(O)c1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000187507003 823077232 /nfs/dbraw/zinc/07/72/32/823077232.db2.gz DRXWGERCMODGCF-UHFFFAOYSA-N 1 1 382.485 4.056 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)NCCCCCCOc2ccc(Cl)cc2)CC[N@H+]1C ZINC000187510459 823077921 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SJWSOXDHCPOSJC-LVCYWYKZSA-N 1 1 376.504 4.298 20 0 GIADMO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000187527268 823081796 /nfs/dbraw/zinc/08/17/96/823081796.db2.gz YQUDZOJJXWPDTR-NEPJUHHUSA-N 1 1 394.302 4.031 20 0 GIADMO COc1ccc([C@@H](C)CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000175952529 823080942 /nfs/dbraw/zinc/08/09/42/823080942.db2.gz PMWLSMZZVNCMJO-ROUUACIJSA-N 1 1 386.561 4.279 20 0 GIADMO CCC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1F ZINC000120880350 823081387 /nfs/dbraw/zinc/08/13/87/823081387.db2.gz ILFWYFOHRVFPCY-ORAYPTAESA-N 1 1 382.476 4.065 20 0 GIADMO CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000570758380 823082285 /nfs/dbraw/zinc/08/22/85/823082285.db2.gz REUCUACCOJOCEE-QHCPKHFHSA-N 1 1 382.504 4.210 20 0 GIADMO CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC000570758380 823082290 /nfs/dbraw/zinc/08/22/90/823082290.db2.gz REUCUACCOJOCEE-QHCPKHFHSA-N 1 1 382.504 4.210 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnnc(-c2ccccc2)c1 ZINC000570763834 823083151 /nfs/dbraw/zinc/08/31/51/823083151.db2.gz CPMCKISIXKPGBP-NOTZXAQLSA-N 1 1 398.510 4.069 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(Br)c(C)cc2C)[C@H](C)C1 ZINC000187542374 823085614 /nfs/dbraw/zinc/08/56/14/823085614.db2.gz AMZQINWAWKXVLG-RHSMWYFYSA-N 1 1 382.346 4.260 20 0 GIADMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000570785429 823087096 /nfs/dbraw/zinc/08/70/96/823087096.db2.gz VHJQZJUGQPALBT-SIKLNZKXSA-N 1 1 396.531 4.220 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc(Br)c(C)cc1C ZINC000187558252 823088344 /nfs/dbraw/zinc/08/83/44/823088344.db2.gz KDQMKBSQNLELEU-OAHLLOKOSA-N 1 1 391.313 4.267 20 0 GIADMO c1ccc(NCc2ccc(OCc3ccncc3)cc2)c(C[NH+]2CCOCC2)c1 ZINC000120935387 823089288 /nfs/dbraw/zinc/08/92/88/823089288.db2.gz NOLDOQRSLWDIDG-UHFFFAOYSA-N 1 1 389.499 4.105 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000187567851 823089954 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4.035 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@](CC)(CO)C3)cs2)cc1OC ZINC000187598616 823095478 /nfs/dbraw/zinc/09/54/78/823095478.db2.gz HWVWWZVEYAGGCF-OAQYLSRUSA-N 1 1 390.549 4.202 20 0 GIADMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@](CC)(CO)C3)cs2)cc1OC ZINC000187598616 823095481 /nfs/dbraw/zinc/09/54/81/823095481.db2.gz HWVWWZVEYAGGCF-OAQYLSRUSA-N 1 1 390.549 4.202 20 0 GIADMO C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1cccc(C(F)(F)F)c1 ZINC000120980464 823096736 /nfs/dbraw/zinc/09/67/36/823096736.db2.gz SZMZEXHVXYKUMQ-JTQLQIEISA-N 1 1 393.434 4.343 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC000458846760 823096933 /nfs/dbraw/zinc/09/69/33/823096933.db2.gz PTXVPTZOEXPVKJ-RYQLBKOJSA-N 1 1 385.474 4.237 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000187624780 823099984 /nfs/dbraw/zinc/09/99/84/823099984.db2.gz DZOXCILRHHPDNI-QHCPKHFHSA-N 1 1 380.488 4.488 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000187632015 823101657 /nfs/dbraw/zinc/10/16/57/823101657.db2.gz MELBBWWOKUWHHQ-QGZVFWFLSA-N 1 1 382.470 4.218 20 0 GIADMO CCOc1c(Br)cc(C[N@@H+]2CCC3(CC(OCC)C3)C2)cc1OC ZINC000570886367 823102182 /nfs/dbraw/zinc/10/21/82/823102182.db2.gz UXQUHAOJXKAVBR-UHFFFAOYSA-N 1 1 398.341 4.247 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000187664535 823108810 /nfs/dbraw/zinc/10/88/10/823108810.db2.gz CPVXXZWYRGABNM-QGZVFWFLSA-N 1 1 398.528 4.371 20 0 GIADMO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000121024079 823104636 /nfs/dbraw/zinc/10/46/36/823104636.db2.gz OQPZRFFDTRBAJX-KRWDZBQOSA-N 1 1 386.565 4.025 20 0 GIADMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000121024079 823104641 /nfs/dbraw/zinc/10/46/41/823104641.db2.gz OQPZRFFDTRBAJX-KRWDZBQOSA-N 1 1 386.565 4.025 20 0 GIADMO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000121024260 823104787 /nfs/dbraw/zinc/10/47/87/823104787.db2.gz OQPZRFFDTRBAJX-QGZVFWFLSA-N 1 1 386.565 4.025 20 0 GIADMO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000121024260 823104791 /nfs/dbraw/zinc/10/47/91/823104791.db2.gz OQPZRFFDTRBAJX-QGZVFWFLSA-N 1 1 386.565 4.025 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000570902496 823105254 /nfs/dbraw/zinc/10/52/54/823105254.db2.gz XBLVCTLJJXBJGJ-YLJYHZDGSA-N 1 1 395.551 4.110 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NCC(C)(C)c2ccccn2)CC1)CC(C)C ZINC000458914542 823105730 /nfs/dbraw/zinc/10/57/30/823105730.db2.gz BFLUBPPTMWGSBE-UHFFFAOYSA-N 1 1 388.600 4.149 20 0 GIADMO COc1ccc(COC[C@@H](O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)cc1 ZINC000121038958 823107118 /nfs/dbraw/zinc/10/71/18/823107118.db2.gz XHJWMUPIFVYHSS-AEFFLSMTSA-N 1 1 392.565 4.154 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000187673605 823110731 /nfs/dbraw/zinc/11/07/31/823110731.db2.gz KXQLIQAGOZTYIF-CQSZACIVSA-N 1 1 396.350 4.088 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCc1ccc(Br)cc1 ZINC000176077958 823113975 /nfs/dbraw/zinc/11/39/75/823113975.db2.gz KVSFEAPSSQWXFT-INIZCTEOSA-N 1 1 381.358 4.153 20 0 GIADMO NC(=O)[C@@H]([NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)c1ccccc1 ZINC000187707525 823117179 /nfs/dbraw/zinc/11/71/79/823117179.db2.gz YPPVJBBORYKPBP-MSOLQXFVSA-N 1 1 391.284 4.246 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+]3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)nc2c1 ZINC000570997089 823117599 /nfs/dbraw/zinc/11/75/99/823117599.db2.gz NTXRRQQRGXZSDS-WMZOPIPTSA-N 1 1 398.528 4.308 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+]3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)nc2c1 ZINC000570997089 823117603 /nfs/dbraw/zinc/11/76/03/823117603.db2.gz NTXRRQQRGXZSDS-WMZOPIPTSA-N 1 1 398.528 4.308 20 0 GIADMO CCN(C(=O)NC[C@@H]1CCCC1(F)F)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459019574 823117707 /nfs/dbraw/zinc/11/77/07/823117707.db2.gz IMDAARAPGFPFJD-YTQUADARSA-N 1 1 379.495 4.289 20 0 GIADMO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000187710744 823117826 /nfs/dbraw/zinc/11/78/26/823117826.db2.gz KABVXJMTZLRLCF-VQTJNVASSA-N 1 1 395.503 4.227 20 0 GIADMO O=C(NC[C@@H]1CCCC1(F)F)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459022137 823118023 /nfs/dbraw/zinc/11/80/23/823118023.db2.gz JTBCOLMTLVYODM-IBGZPJMESA-N 1 1 391.506 4.120 20 0 GIADMO CCOCCOc1ccc(Cl)cc1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000176093845 823118392 /nfs/dbraw/zinc/11/83/92/823118392.db2.gz DYAUPYARAVWRHI-KRWDZBQOSA-N 1 1 397.947 4.093 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000459023925 823118406 /nfs/dbraw/zinc/11/84/06/823118406.db2.gz KPENMRGEBGQNLV-NZSAHSFTSA-N 1 1 379.495 4.116 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](CC2CCC2)[C@@H](C)c2ccccc2)cc1 ZINC000121100274 823118588 /nfs/dbraw/zinc/11/85/88/823118588.db2.gz GSOXZPLCSVQZAF-KRWDZBQOSA-N 1 1 379.504 4.447 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)c2sccc2OC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000176100759 823120561 /nfs/dbraw/zinc/12/05/61/823120561.db2.gz YXAXXKRJWVBNAP-ZFWWWQNUSA-N 1 1 380.460 4.132 20 0 GIADMO Nc1nc(C[NH+]2CCC(OC3CCCC3)CC2)nc2sc3c(c21)CCCC3 ZINC000121119739 823121894 /nfs/dbraw/zinc/12/18/94/823121894.db2.gz FTAWAJJVEQWBNZ-UHFFFAOYSA-N 1 1 386.565 4.076 20 0 GIADMO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3=CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000187749557 823124944 /nfs/dbraw/zinc/12/49/44/823124944.db2.gz KYTVCJWEHLCVDU-NQIIRXRSSA-N 1 1 391.600 4.186 20 0 GIADMO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121140446 823125837 /nfs/dbraw/zinc/12/58/37/823125837.db2.gz NEHIIZGLYYFYJA-QAPCUYQASA-N 1 1 390.549 4.210 20 0 GIADMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000121140446 823125840 /nfs/dbraw/zinc/12/58/40/823125840.db2.gz NEHIIZGLYYFYJA-QAPCUYQASA-N 1 1 390.549 4.210 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)c2cccnc2SC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000176122307 823127681 /nfs/dbraw/zinc/12/76/81/823127681.db2.gz XVCIQBNQNUEJHI-HOCLYGCPSA-N 1 1 391.487 4.179 20 0 GIADMO CCCN(C(=O)N[C@@H](C)c1cnn(CC)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459099941 823128025 /nfs/dbraw/zinc/12/80/25/823128025.db2.gz KZUZJZKXZVAEBU-SIKLNZKXSA-N 1 1 397.567 4.050 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000571091011 823130884 /nfs/dbraw/zinc/13/08/84/823130884.db2.gz MMSWFGBLGHMNJY-ZLNRFVROSA-N 1 1 389.499 4.090 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)CC[N@H+]1Cc1ccccc1 ZINC000176134481 823132299 /nfs/dbraw/zinc/13/22/99/823132299.db2.gz LXFWKBGTNBGKFK-OXQOHEQNSA-N 1 1 379.479 4.019 20 0 GIADMO CCN(C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H](C)Cc1ccsc1 ZINC000187790152 823133887 /nfs/dbraw/zinc/13/38/87/823133887.db2.gz OMJPMQRUURXGIU-YQVWRLOYSA-N 1 1 377.598 4.364 20 0 GIADMO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000121185113 823134309 /nfs/dbraw/zinc/13/43/09/823134309.db2.gz RNSVPIWRBOYHBJ-LEWJYISDSA-N 1 1 395.591 4.286 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@@H](C)c2nccnc2C)ccc1OCc1ccncc1 ZINC000187794190 823134505 /nfs/dbraw/zinc/13/45/05/823134505.db2.gz FXQLJLPFTPDCRF-RDJZCZTQSA-N 1 1 378.476 4.179 20 0 GIADMO C[N@@H+](CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)C1CC1 ZINC000459157091 823136346 /nfs/dbraw/zinc/13/63/46/823136346.db2.gz LZXDGAMADRFNCB-UHFFFAOYSA-N 1 1 383.511 4.412 20 0 GIADMO C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000121215947 823140221 /nfs/dbraw/zinc/14/02/21/823140221.db2.gz IYKQPUYBTGBQNJ-FXAWDEMLSA-N 1 1 390.487 4.101 20 0 GIADMO C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000121215947 823140223 /nfs/dbraw/zinc/14/02/23/823140223.db2.gz IYKQPUYBTGBQNJ-FXAWDEMLSA-N 1 1 390.487 4.101 20 0 GIADMO CC(C)(C)OC(=O)N1CCc2cccc(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)c21 ZINC000121229758 823143198 /nfs/dbraw/zinc/14/31/98/823143198.db2.gz JBGCPQAXPYVKPH-KRWDZBQOSA-N 1 1 382.508 4.087 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCc2cc(Br)ccc2F)c2ncc[nH]2)cc1 ZINC000187843729 823144999 /nfs/dbraw/zinc/14/49/99/823144999.db2.gz HQRBQKZPIYLFAU-KRWDZBQOSA-N 1 1 392.247 4.372 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)N1CCc2[nH]c3ccccc3c2C1 ZINC000121241876 823146030 /nfs/dbraw/zinc/14/60/30/823146030.db2.gz HIQFHPAZCXRIJS-NRFANRHFSA-N 1 1 377.488 4.263 20 0 GIADMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)n1 ZINC000571193104 823146895 /nfs/dbraw/zinc/14/68/95/823146895.db2.gz UTKYHDHKAHFTSN-HNNXBMFYSA-N 1 1 375.542 4.019 20 0 GIADMO COc1cc(CNc2ccc3c(c2)C[N@H+](C)C3)ccc1OCc1ccncc1 ZINC000121249182 823147526 /nfs/dbraw/zinc/14/75/26/823147526.db2.gz KKKGZEFBACPUEO-UHFFFAOYSA-N 1 1 375.472 4.227 20 0 GIADMO CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000176185337 823147914 /nfs/dbraw/zinc/14/79/14/823147914.db2.gz PAMLRXULVXXUAV-NVXWUHKLSA-N 1 1 391.471 4.028 20 0 GIADMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000121254043 823148312 /nfs/dbraw/zinc/14/83/12/823148312.db2.gz BGQCPQCWLKDQBI-QRQCRPRQSA-N 1 1 398.503 4.452 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000176188262 823148495 /nfs/dbraw/zinc/14/84/95/823148495.db2.gz AXMQIMDCWRQWBH-HNNXBMFYSA-N 1 1 388.471 4.020 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000176191524 823149070 /nfs/dbraw/zinc/14/90/70/823149070.db2.gz ZJFNXHLUHHPUNQ-VQIMIIECSA-N 1 1 375.472 4.314 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCc4[nH]cnc4C2)CCC3)cc1 ZINC000571211739 823149424 /nfs/dbraw/zinc/14/94/24/823149424.db2.gz CYPVHGLSGSPISJ-PBHICJAKSA-N 1 1 380.517 4.066 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000571216660 823149976 /nfs/dbraw/zinc/14/99/76/823149976.db2.gz MGMWDBJCGMTDQT-GFCCVEGCSA-N 1 1 381.307 4.309 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000121263623 823150681 /nfs/dbraw/zinc/15/06/81/823150681.db2.gz KQIGFEAGWVFZQF-MRXNPFEDSA-N 1 1 397.548 4.273 20 0 GIADMO CCN(C(=O)NCc1ccc(C)c(C)n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459244540 823150827 /nfs/dbraw/zinc/15/08/27/823150827.db2.gz UCLQWNGJLNVFIS-KNQAVFIVSA-N 1 1 380.536 4.065 20 0 GIADMO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121265161 823150893 /nfs/dbraw/zinc/15/08/93/823150893.db2.gz QNQWXFVWEUXNHZ-INIZCTEOSA-N 1 1 387.890 4.135 20 0 GIADMO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176204193 823151975 /nfs/dbraw/zinc/15/19/75/823151975.db2.gz OBLYOODTASUHBL-IBGZPJMESA-N 1 1 397.563 4.261 20 0 GIADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000121271539 823152433 /nfs/dbraw/zinc/15/24/33/823152433.db2.gz URNVFOAURAWMIT-RYUDHWBXSA-N 1 1 387.332 4.313 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 ZINC000121286645 823155485 /nfs/dbraw/zinc/15/54/85/823155485.db2.gz MXVHIKGQUCQYPK-FQEVSTJZSA-N 1 1 389.455 4.295 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CCO1 ZINC000459307524 823159378 /nfs/dbraw/zinc/15/93/78/823159378.db2.gz OEZZDXHVMDOVEL-QUCCMNQESA-N 1 1 386.561 4.154 20 0 GIADMO Cc1nc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)oc1-c1ccc(Cl)cc1 ZINC000571288309 823160376 /nfs/dbraw/zinc/16/03/76/823160376.db2.gz XIQURKTYSIBIHN-MOPGFXCFSA-N 1 1 389.927 4.022 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccccc2N2CCO[C@@H](C)C2)ccc1SC ZINC000459319474 823160663 /nfs/dbraw/zinc/16/06/63/823160663.db2.gz DQCMDVLDRVGPQX-KRWDZBQOSA-N 1 1 386.561 4.274 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)cc1 ZINC000571301194 823162005 /nfs/dbraw/zinc/16/20/05/823162005.db2.gz ATSQUULUBLPYHK-PZJWPPBQSA-N 1 1 385.552 4.320 20 0 GIADMO Cc1cc(F)c(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c(Cl)c1 ZINC000459332514 823163042 /nfs/dbraw/zinc/16/30/42/823163042.db2.gz YFUSLDCWNQZQFV-UHFFFAOYSA-N 1 1 394.943 4.420 20 0 GIADMO C[C@H](O)C[N@@H+](C)C1CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341415 823165076 /nfs/dbraw/zinc/16/50/76/823165076.db2.gz WFDAXRYMRIACQZ-JLXBBBJOSA-N 1 1 394.559 4.056 20 0 GIADMO Cc1cc(F)c(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c(Cl)c1 ZINC000459347685 823167478 /nfs/dbraw/zinc/16/74/78/823167478.db2.gz GPJXRYABFPYNCJ-INIZCTEOSA-N 1 1 389.902 4.097 20 0 GIADMO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000571339295 823167724 /nfs/dbraw/zinc/16/77/24/823167724.db2.gz NHCAFJTXNWRUKA-ZYYKLRDGSA-N 1 1 394.506 4.265 20 0 GIADMO FC(F)(F)c1ccc2nnc([C@@H]3CCC[N@@H+](CCOCC4CCCC4)C3)n2c1 ZINC000459350496 823168234 /nfs/dbraw/zinc/16/82/34/823168234.db2.gz PIZYZRLGYDDEBD-MRXNPFEDSA-N 1 1 396.457 4.134 20 0 GIADMO Cc1cc(F)c(CNc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000459351277 823168682 /nfs/dbraw/zinc/16/86/82/823168682.db2.gz KXVXMHYGCROYEK-MRXNPFEDSA-N 1 1 389.902 4.097 20 0 GIADMO CO[C@H](C)C(=O)Nc1cccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000571349592 823169144 /nfs/dbraw/zinc/16/91/44/823169144.db2.gz TZTBIJPQSUDJME-NJNPRVFISA-N 1 1 381.520 4.125 20 0 GIADMO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)ccc1O ZINC000459354647 823169624 /nfs/dbraw/zinc/16/96/24/823169624.db2.gz JHLOPIDOIIXQLD-SJORKVTESA-N 1 1 381.394 4.118 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)ccc1O ZINC000459354647 823169627 /nfs/dbraw/zinc/16/96/27/823169627.db2.gz JHLOPIDOIIXQLD-SJORKVTESA-N 1 1 381.394 4.118 20 0 GIADMO c1c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459354815 823169817 /nfs/dbraw/zinc/16/98/17/823169817.db2.gz JTHVXZXZUFYTQY-MOPGFXCFSA-N 1 1 380.536 4.309 20 0 GIADMO c1c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459354824 823169827 /nfs/dbraw/zinc/16/98/27/823169827.db2.gz JTHVXZXZUFYTQY-RBUKOAKNSA-N 1 1 380.536 4.309 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)cc1F ZINC000571358947 823170481 /nfs/dbraw/zinc/17/04/81/823170481.db2.gz HITZRFYNMFKRLR-SNVBAGLBSA-N 1 1 384.220 4.365 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3nc4c(ccc(F)c4C)s3)CC2)[nH+]c1 ZINC000176281857 823171525 /nfs/dbraw/zinc/17/15/25/823171525.db2.gz NJDWJBFKBXUEDM-UHFFFAOYSA-N 1 1 384.480 4.302 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1 ZINC000176304819 823177094 /nfs/dbraw/zinc/17/70/94/823177094.db2.gz NEZDVDBRTUSUES-INIZCTEOSA-N 1 1 398.466 4.027 20 0 GIADMO CC(C)n1ncc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000121377093 823173536 /nfs/dbraw/zinc/17/35/36/823173536.db2.gz QXLMOJKFWFWTBV-HXUWFJFHSA-N 1 1 380.536 4.078 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C(C)=O)C2)cc1 ZINC000571372219 823173615 /nfs/dbraw/zinc/17/36/15/823173615.db2.gz ZQWRHRPCSFJJHK-YLJYHZDGSA-N 1 1 394.515 4.180 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C(C)=O)C2)cc1 ZINC000571372219 823173618 /nfs/dbraw/zinc/17/36/18/823173618.db2.gz ZQWRHRPCSFJJHK-YLJYHZDGSA-N 1 1 394.515 4.180 20 0 GIADMO CC[C@H]([NH2+]Cc1cccc(O)c1Br)c1ccc2c(c1)OCCO2 ZINC000459367430 823174277 /nfs/dbraw/zinc/17/42/77/823174277.db2.gz FDYSQEZIVKCPSX-AWEZNQCLSA-N 1 1 378.266 4.167 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000459370849 823174839 /nfs/dbraw/zinc/17/48/39/823174839.db2.gz XPJXPDSQWPENPU-KIFXHHALSA-N 1 1 381.516 4.439 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+]3C[C@@H](c4ccc(F)cc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000121384739 823174918 /nfs/dbraw/zinc/17/49/18/823174918.db2.gz BWNXDUSQFCQZRA-YOEHRIQHSA-N 1 1 394.446 4.269 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+]3C[C@H](c4ccc(F)cc4)C[C@H]3C)cc(=O)oc2c1 ZINC000121384914 823174954 /nfs/dbraw/zinc/17/49/54/823174954.db2.gz BWNXDUSQFCQZRA-RHSMWYFYSA-N 1 1 394.446 4.269 20 0 GIADMO COCc1cc(C[NH+]2CCC(COc3cc(Cl)cc(Cl)c3)CC2)no1 ZINC000459375098 823176219 /nfs/dbraw/zinc/17/62/19/823176219.db2.gz MDTKQSBXVAEFNP-UHFFFAOYSA-N 1 1 385.291 4.419 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000459376043 823176568 /nfs/dbraw/zinc/17/65/68/823176568.db2.gz ZPZQZTNJUNKVOO-UHFFFAOYSA-N 1 1 394.588 4.378 20 0 GIADMO Cc1cc(F)c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c(Cl)c1 ZINC000459379598 823177846 /nfs/dbraw/zinc/17/78/46/823177846.db2.gz SNCVXOGLYJVDAZ-GASCZTMLSA-N 1 1 377.891 4.086 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccccn3)cc2)C1 ZINC000056611519 823180764 /nfs/dbraw/zinc/18/07/64/823180764.db2.gz RTOYJDCNVSMOQJ-WMZHIEFXSA-N 1 1 392.547 4.360 20 0 GIADMO CCC[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1cccc(C(F)(F)F)c1 ZINC000571428246 823181677 /nfs/dbraw/zinc/18/16/77/823181677.db2.gz PFZHUMNYHYXOLH-MAUKXSAKSA-N 1 1 379.426 4.430 20 0 GIADMO Cc1c(COc2ccccc2)cccc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459418887 823188632 /nfs/dbraw/zinc/18/86/32/823188632.db2.gz GLKLBACHQFXCTR-LJQANCHMSA-N 1 1 381.520 4.427 20 0 GIADMO CC(C)Oc1ccc([C@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)N(C)C)cc1 ZINC000571479931 823189083 /nfs/dbraw/zinc/18/90/83/823189083.db2.gz ZYKNXSMYVINAIY-HNNXBMFYSA-N 1 1 387.471 4.342 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3cn(-c4ccc(C)cc4)nc3C(C)(C)C)C2)c1 ZINC000571458193 823185874 /nfs/dbraw/zinc/18/58/74/823185874.db2.gz ZBBKERMXJNWEQJ-NRFANRHFSA-N 1 1 377.536 4.430 20 0 GIADMO C[C@@H](C[N@H+](CCN(C)C)Cc1ccccn1)c1cccc(Br)c1 ZINC000571483592 823189623 /nfs/dbraw/zinc/18/96/23/823189623.db2.gz GKBXECUFJLLZNN-INIZCTEOSA-N 1 1 376.342 4.011 20 0 GIADMO C[C@@H](C[N@@H+](CCN(C)C)Cc1ccccn1)c1cccc(Br)c1 ZINC000571483592 823189624 /nfs/dbraw/zinc/18/96/24/823189624.db2.gz GKBXECUFJLLZNN-INIZCTEOSA-N 1 1 376.342 4.011 20 0 GIADMO Clc1cccc(C[N@@H+](CCn2ccnc2)Cc2cc(-n3ccnc3)cs2)c1 ZINC000571483691 823189670 /nfs/dbraw/zinc/18/96/70/823189670.db2.gz KAJWTQAYEKSMQV-UHFFFAOYSA-N 1 1 397.935 4.486 20 0 GIADMO FC1(F)CCC(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)CC1 ZINC000459426319 823190158 /nfs/dbraw/zinc/19/01/58/823190158.db2.gz SSFHIXBCLHRRKG-YLJYHZDGSA-N 1 1 388.462 4.311 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)C[C@H](C)O1 ZINC000121483563 823192682 /nfs/dbraw/zinc/19/26/82/823192682.db2.gz DDXZKXMJPHIOQC-BETUJISGSA-N 1 1 394.849 4.480 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)C[C@H](C)O1 ZINC000121483563 823192686 /nfs/dbraw/zinc/19/26/86/823192686.db2.gz DDXZKXMJPHIOQC-BETUJISGSA-N 1 1 394.849 4.480 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+](C3CC3)C3CCC(C)CC3)nc2c1 ZINC000121493976 823194204 /nfs/dbraw/zinc/19/42/04/823194204.db2.gz RXZDNXWDLYLAOC-UHFFFAOYSA-N 1 1 376.522 4.165 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+](C3CC3)C3CCC(C)CC3)nc2c1 ZINC000121493976 823194209 /nfs/dbraw/zinc/19/42/09/823194209.db2.gz RXZDNXWDLYLAOC-UHFFFAOYSA-N 1 1 376.522 4.165 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3(c4ccc(F)cc4)CC3)c2)C[C@H](C)O1 ZINC000121494377 823194254 /nfs/dbraw/zinc/19/42/54/823194254.db2.gz CXOCWNYXAYSHOF-CALCHBBNSA-N 1 1 382.479 4.105 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3(c4ccc(F)cc4)CC3)c2)C[C@H](C)O1 ZINC000121494377 823194257 /nfs/dbraw/zinc/19/42/57/823194257.db2.gz CXOCWNYXAYSHOF-CALCHBBNSA-N 1 1 382.479 4.105 20 0 GIADMO CC(=O)Nc1ccc(Cl)c(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000056692212 823194403 /nfs/dbraw/zinc/19/44/03/823194403.db2.gz XERZNMCANMWKSX-GASCZTMLSA-N 1 1 394.947 4.178 20 0 GIADMO CCOC(=O)c1noc(C[N@H+](C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000459449527 823194533 /nfs/dbraw/zinc/19/45/33/823194533.db2.gz SJHFBFPHTWNPRT-QGZVFWFLSA-N 1 1 377.872 4.263 20 0 GIADMO CCOC(=O)c1noc(C[N@@H+](C)[C@@H](c2ccc(Cl)cc2)C2CCCC2)n1 ZINC000459449527 823194537 /nfs/dbraw/zinc/19/45/37/823194537.db2.gz SJHFBFPHTWNPRT-QGZVFWFLSA-N 1 1 377.872 4.263 20 0 GIADMO C[N@@H+](CCc1cccc(NCc2cccc(O)c2Br)c1)C1CC1 ZINC000459456855 823195902 /nfs/dbraw/zinc/19/59/02/823195902.db2.gz FGTAGYLZYDTPFA-UHFFFAOYSA-N 1 1 375.310 4.404 20 0 GIADMO CCOc1cc(CNc2cc(C)cc[nH+]2)ccc1OCC(=O)Nc1ccccc1 ZINC000121508002 823196891 /nfs/dbraw/zinc/19/68/91/823196891.db2.gz XUVOPVAAZRIREO-UHFFFAOYSA-N 1 1 391.471 4.418 20 0 GIADMO Cn1c2ccccc2nc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000176391228 823196906 /nfs/dbraw/zinc/19/69/06/823196906.db2.gz GSMLONDFPRVUIN-FQEVSTJZSA-N 1 1 377.513 4.371 20 0 GIADMO Cn1c2ccccc2nc1C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000176391228 823196911 /nfs/dbraw/zinc/19/69/11/823196911.db2.gz GSMLONDFPRVUIN-FQEVSTJZSA-N 1 1 377.513 4.371 20 0 GIADMO C[C@H]1C[C@H](NC(=O)N[C@H]2CCOc3c(F)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000188171114 823197620 /nfs/dbraw/zinc/19/76/20/823197620.db2.gz REIJRODXVVKIAN-CDXJDZJCSA-N 1 1 397.494 4.002 20 0 GIADMO Fc1cc(Br)cc([C@H](CC2CC2)[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000188191983 823201134 /nfs/dbraw/zinc/20/11/34/823201134.db2.gz OOOWKPVYCKLQAO-HNNXBMFYSA-N 1 1 379.277 4.215 20 0 GIADMO C[C@@H]1CN(CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545045 823198567 /nfs/dbraw/zinc/19/85/67/823198567.db2.gz NURBCKLCEVIHIU-DNVCBOLYSA-N 1 1 386.458 4.127 20 0 GIADMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1CC2(CCC2)C1 ZINC000571566113 823201466 /nfs/dbraw/zinc/20/14/66/823201466.db2.gz RVVJNGMVLJHPMP-UHFFFAOYSA-N 1 1 380.454 4.366 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000176399571 823199816 /nfs/dbraw/zinc/19/98/16/823199816.db2.gz DOPFGQMFBRUADG-GOSISDBHSA-N 1 1 382.504 4.291 20 0 GIADMO C[C@H]1CN(c2ccccc2CNc2cccc(CC[N@@H+](C)C3CC3)c2)CCO1 ZINC000459475239 823199985 /nfs/dbraw/zinc/19/99/85/823199985.db2.gz YUEOXGWTPMPUJT-IBGZPJMESA-N 1 1 379.548 4.161 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)c2ncc[nH]2)cc1 ZINC000188198574 823201873 /nfs/dbraw/zinc/20/18/73/823201873.db2.gz JTEFTPRMDRYKDU-FQEVSTJZSA-N 1 1 393.491 4.379 20 0 GIADMO Fc1cnccc1CN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459490875 823203255 /nfs/dbraw/zinc/20/32/55/823203255.db2.gz LMKLSSYAOUOAAN-HSZRJFAPSA-N 1 1 390.506 4.283 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCc2ncc(C(C)(C)C)o2)C[C@H](C)O1 ZINC000188211789 823203981 /nfs/dbraw/zinc/20/39/81/823203981.db2.gz SHVYCVHOQWRWOB-CALCHBBNSA-N 1 1 399.535 4.153 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCc2ncc(C(C)(C)C)o2)C[C@H](C)O1 ZINC000188211789 823203987 /nfs/dbraw/zinc/20/39/87/823203987.db2.gz SHVYCVHOQWRWOB-CALCHBBNSA-N 1 1 399.535 4.153 20 0 GIADMO c1c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459497812 823204856 /nfs/dbraw/zinc/20/48/56/823204856.db2.gz JZOLKSMTMHBJQH-NRFANRHFSA-N 1 1 380.536 4.451 20 0 GIADMO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000571604692 823206816 /nfs/dbraw/zinc/20/68/16/823206816.db2.gz YGUSXWVTQJXKIH-LYHRCORUSA-N 1 1 396.556 4.270 20 0 GIADMO CCOc1ccccc1-c1noc(-c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1 ZINC000571599900 823205889 /nfs/dbraw/zinc/20/58/89/823205889.db2.gz JMPBFHZPBVDAQZ-UHFFFAOYSA-N 1 1 383.358 4.321 20 0 GIADMO CCOc1cc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)cc(Cl)c1O ZINC000459504406 823206012 /nfs/dbraw/zinc/20/60/12/823206012.db2.gz RFLTUVRRNORMMM-UHFFFAOYSA-N 1 1 377.868 4.323 20 0 GIADMO COc1cccc(COC[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000121575673 823209101 /nfs/dbraw/zinc/20/91/01/823209101.db2.gz FIJXQDKWLKZJBQ-FXAWDEMLSA-N 1 1 398.528 4.020 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459529298 823212541 /nfs/dbraw/zinc/21/25/41/823212541.db2.gz RKRWWIRJUIEATQ-QGZVFWFLSA-N 1 1 382.479 4.025 20 0 GIADMO Brc1cccc(-c2c[nH]c(C[NH+]3CCC([C@@H]4CCCO4)CC3)n2)c1 ZINC000188278084 823213396 /nfs/dbraw/zinc/21/33/96/823213396.db2.gz QXEPVEFXZWCCMQ-SFHVURJKSA-N 1 1 390.325 4.230 20 0 GIADMO CCOc1cc(C[N@@H+](CCc2ccccn2)Cc2ccc(OC)cc2)ccc1O ZINC000459538314 823214950 /nfs/dbraw/zinc/21/49/50/823214950.db2.gz ZHOGIRKWDRWJCH-UHFFFAOYSA-N 1 1 392.499 4.439 20 0 GIADMO CCOc1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc(Cl)c1O ZINC000459538181 823215034 /nfs/dbraw/zinc/21/50/34/823215034.db2.gz SRJTUVILQHSYLW-UHFFFAOYSA-N 1 1 393.886 4.153 20 0 GIADMO Cc1noc([C@H]2CC[N@@H+](C/C=C\c3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000459538179 823215098 /nfs/dbraw/zinc/21/50/98/823215098.db2.gz SKTXJDCQIYZELB-DPVXCJKMSA-N 1 1 375.472 4.460 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(-c2nncs2)cc1 ZINC000459538708 823215358 /nfs/dbraw/zinc/21/53/58/823215358.db2.gz DVOGHFKOAKYGFM-UHFFFAOYSA-N 1 1 395.532 4.367 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc(Cl)c1O ZINC000459544783 823216671 /nfs/dbraw/zinc/21/66/71/823216671.db2.gz KENNVGSRGSPTHS-GGPKGHCWSA-N 1 1 387.907 4.449 20 0 GIADMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459546017 823217195 /nfs/dbraw/zinc/21/71/95/823217195.db2.gz MBWRGUDHSYJBSP-XXASKBIOSA-N 1 1 392.543 4.074 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)Cc1[nH]nc2c1CCCC2)C1CCCCC1 ZINC000188310055 823217708 /nfs/dbraw/zinc/21/77/08/823217708.db2.gz ZQPBSTURDBJGKT-UHFFFAOYSA-N 1 1 380.536 4.234 20 0 GIADMO C[N@H+](Cc1ccccc1NC(=O)Cc1n[nH]c2c1CCCC2)C1CCCCC1 ZINC000188310055 823217710 /nfs/dbraw/zinc/21/77/10/823217710.db2.gz ZQPBSTURDBJGKT-UHFFFAOYSA-N 1 1 380.536 4.234 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)Cc1n[nH]c2c1CCCC2)C1CCCCC1 ZINC000188310055 823217711 /nfs/dbraw/zinc/21/77/11/823217711.db2.gz ZQPBSTURDBJGKT-UHFFFAOYSA-N 1 1 380.536 4.234 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@](F)(c2nc(Cc3ccccc3Br)no2)C1 ZINC000571695255 823220153 /nfs/dbraw/zinc/22/01/53/823220153.db2.gz TXTCYJWCEXMJRU-QGZVFWFLSA-N 1 1 382.277 4.092 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@](F)(c2nc(Cc3ccccc3Br)no2)C1 ZINC000571695255 823220158 /nfs/dbraw/zinc/22/01/58/823220158.db2.gz TXTCYJWCEXMJRU-QGZVFWFLSA-N 1 1 382.277 4.092 20 0 GIADMO CCOc1cc(C)ccc1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000121641618 823221091 /nfs/dbraw/zinc/22/10/91/823221091.db2.gz ZAYASNYMNYPMGB-UHFFFAOYSA-N 1 1 399.560 4.264 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2nc3ccccc3s2)cc1F ZINC000409451468 823221465 /nfs/dbraw/zinc/22/14/65/823221465.db2.gz BFXVBGXVCXTSKR-UHFFFAOYSA-N 1 1 394.475 4.179 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)CCCOc1cccc(Cl)c1Cl)c1ccco1 ZINC000409452286 823221954 /nfs/dbraw/zinc/22/19/54/823221954.db2.gz HDBLAAPCCFJRAC-AWEZNQCLSA-N 1 1 385.291 4.165 20 0 GIADMO CCOc1cc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)cc(Br)c1O ZINC000459568414 823222159 /nfs/dbraw/zinc/22/21/59/823222159.db2.gz WVTNYTPWUBZMSU-BTDLBPIBSA-N 1 1 396.256 4.304 20 0 GIADMO c1c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459568088 823222239 /nfs/dbraw/zinc/22/22/39/823222239.db2.gz KJEAFIOIKFKTPO-GOTSBHOMSA-N 1 1 378.520 4.204 20 0 GIADMO c1c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459568088 823222244 /nfs/dbraw/zinc/22/22/44/823222244.db2.gz KJEAFIOIKFKTPO-GOTSBHOMSA-N 1 1 378.520 4.204 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](c1ccccc1)c1ccccc1OC ZINC000176504589 823223517 /nfs/dbraw/zinc/22/35/17/823223517.db2.gz UYDYGUCYIDWISH-QTEQDKRBSA-N 1 1 393.531 4.053 20 0 GIADMO CCn1c(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc2ccccc21 ZINC000409457758 823223589 /nfs/dbraw/zinc/22/35/89/823223589.db2.gz WTCMZZXSVQZHEC-UHFFFAOYSA-N 1 1 376.435 4.224 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)C1 ZINC000409458060 823223603 /nfs/dbraw/zinc/22/36/03/823223603.db2.gz YUQGLGCKGRLTNF-UZLBHIALSA-N 1 1 381.907 4.246 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(Cl)cc3cccnc32)cc1F ZINC000409458030 823223713 /nfs/dbraw/zinc/22/37/13/823223713.db2.gz YPHCDLRKMQKLHH-UHFFFAOYSA-N 1 1 394.837 4.451 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000409460483 823224242 /nfs/dbraw/zinc/22/42/42/823224242.db2.gz SXJZVLGIAURUNB-LPHOPBHVSA-N 1 1 394.906 4.091 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c(Br)c1 ZINC000571721003 823224945 /nfs/dbraw/zinc/22/49/45/823224945.db2.gz BEEHCTKPJPUWPV-INIZCTEOSA-N 1 1 386.293 4.254 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000409462643 823225250 /nfs/dbraw/zinc/22/52/50/823225250.db2.gz HDAYHZFVJGYCBR-MRXNPFEDSA-N 1 1 395.385 4.355 20 0 GIADMO Cc1ccc(C(=O)C2CCN(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000056868845 823225885 /nfs/dbraw/zinc/22/58/85/823225885.db2.gz SBRRRFXIUBUNAX-HXUWFJFHSA-N 1 1 399.579 4.111 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cs1 ZINC000459587877 823226064 /nfs/dbraw/zinc/22/60/64/823226064.db2.gz QDFDYXDBFPRAJK-OAQYLSRUSA-N 1 1 388.533 4.372 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cs1 ZINC000459587877 823226069 /nfs/dbraw/zinc/22/60/69/823226069.db2.gz QDFDYXDBFPRAJK-OAQYLSRUSA-N 1 1 388.533 4.372 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000176515285 823226459 /nfs/dbraw/zinc/22/64/59/823226459.db2.gz GEBLXRLBVVOMIT-MRXNPFEDSA-N 1 1 398.532 4.237 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000176515285 823226464 /nfs/dbraw/zinc/22/64/64/823226464.db2.gz GEBLXRLBVVOMIT-MRXNPFEDSA-N 1 1 398.532 4.237 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCCC2CCOCC2)C1 ZINC000409466673 823226718 /nfs/dbraw/zinc/22/67/18/823226718.db2.gz TUAXOINADQXAEY-BGYRXZFFSA-N 1 1 386.580 4.378 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1cccc(-c2ccccn2)c1C)[NH+](C)C ZINC000121673715 823227856 /nfs/dbraw/zinc/22/78/56/823227856.db2.gz SNCMWTSSWSXEHV-QFIPXVFZSA-N 1 1 389.499 4.098 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000188378590 823229908 /nfs/dbraw/zinc/22/99/08/823229908.db2.gz YKTVDWVYMISVLS-KRWDZBQOSA-N 1 1 382.470 4.122 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1ccccc1Br ZINC000459628504 823232429 /nfs/dbraw/zinc/23/24/29/823232429.db2.gz CUNBUGBVVUACIW-QWRGUYRKSA-N 1 1 394.338 4.072 20 0 GIADMO Fc1ccc(OCCC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459630473 823232667 /nfs/dbraw/zinc/23/26/67/823232667.db2.gz AHVCGKYRJCMQOW-QGZVFWFLSA-N 1 1 375.406 4.276 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459633768 823233765 /nfs/dbraw/zinc/23/37/65/823233765.db2.gz FCGLNDUEYTYBKK-DOTOQJQBSA-N 1 1 384.442 4.003 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459633768 823233767 /nfs/dbraw/zinc/23/37/67/823233767.db2.gz FCGLNDUEYTYBKK-DOTOQJQBSA-N 1 1 384.442 4.003 20 0 GIADMO Cc1cc(CNCc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccc1Br ZINC000459636751 823234853 /nfs/dbraw/zinc/23/48/53/823234853.db2.gz AINNUESGWGMQHZ-UHFFFAOYSA-N 1 1 394.382 4.270 20 0 GIADMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459640526 823235613 /nfs/dbraw/zinc/23/56/13/823235613.db2.gz LMPGLHGDYUUEFW-RDJZCZTQSA-N 1 1 384.442 4.003 20 0 GIADMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459640526 823235616 /nfs/dbraw/zinc/23/56/16/823235616.db2.gz LMPGLHGDYUUEFW-RDJZCZTQSA-N 1 1 384.442 4.003 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000571795908 823235614 /nfs/dbraw/zinc/23/56/14/823235614.db2.gz BIOQFPCXQVPMGL-QFIPXVFZSA-N 1 1 384.882 4.454 20 0 GIADMO FC(F)Oc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459645607 823237080 /nfs/dbraw/zinc/23/70/80/823237080.db2.gz QYYPBCJDHXOTSJ-OAHLLOKOSA-N 1 1 379.369 4.469 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(Br)cc1C(F)(F)F ZINC000188414271 823237189 /nfs/dbraw/zinc/23/71/89/823237189.db2.gz MHTSXMRFRHGSRC-MRVPVSSYSA-N 1 1 391.187 4.011 20 0 GIADMO CCn1c(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)nc2cc(F)ccc21 ZINC000459653170 823240151 /nfs/dbraw/zinc/24/01/51/823240151.db2.gz CZGLBXTUDDVJSX-KRWDZBQOSA-N 1 1 399.432 4.376 20 0 GIADMO CCn1c(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)nc2cc(F)ccc21 ZINC000459653170 823240154 /nfs/dbraw/zinc/24/01/54/823240154.db2.gz CZGLBXTUDDVJSX-KRWDZBQOSA-N 1 1 399.432 4.376 20 0 GIADMO Fc1ccc(Cn2cc(C[NH2+]Cc3nc4ccccc4n3C3CC3)cn2)cc1 ZINC000188454978 823242932 /nfs/dbraw/zinc/24/29/32/823242932.db2.gz YPKJANIOHCBVCK-UHFFFAOYSA-N 1 1 375.451 4.045 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000571841257 823243374 /nfs/dbraw/zinc/24/33/74/823243374.db2.gz HTSLQNPLDWHEMZ-LJQANCHMSA-N 1 1 385.376 4.411 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459662074 823244329 /nfs/dbraw/zinc/24/43/29/823244329.db2.gz MZQRJHHZHQTGCN-FUHWJXTLSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459662074 823244332 /nfs/dbraw/zinc/24/43/32/823244332.db2.gz MZQRJHHZHQTGCN-FUHWJXTLSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459662766 823244530 /nfs/dbraw/zinc/24/45/30/823244530.db2.gz NXUHETGZUXRTQK-IBGZPJMESA-N 1 1 393.453 4.362 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663212 823244711 /nfs/dbraw/zinc/24/47/11/823244711.db2.gz OJHUJIWURJWKTE-KRWDZBQOSA-N 1 1 380.410 4.121 20 0 GIADMO C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176600380 823245539 /nfs/dbraw/zinc/24/55/39/823245539.db2.gz SWNJZKTXESOGCM-IBGZPJMESA-N 1 1 392.547 4.470 20 0 GIADMO Cc1cccc2nc(CCC(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)[nH]c21 ZINC000176602146 823245927 /nfs/dbraw/zinc/24/59/27/823245927.db2.gz IVUBKIICCAHBJJ-SFHVURJKSA-N 1 1 390.531 4.146 20 0 GIADMO O=C(CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)c1ccc(F)cc1 ZINC000459672055 823247704 /nfs/dbraw/zinc/24/77/04/823247704.db2.gz XBDUKNNPPVOPPS-SFHVURJKSA-N 1 1 387.417 4.470 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000176602725 823246142 /nfs/dbraw/zinc/24/61/42/823246142.db2.gz PPJJRVGHNPKTIN-OALUTQOASA-N 1 1 380.536 4.183 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC12CCOCC2 ZINC000459669910 823246688 /nfs/dbraw/zinc/24/66/88/823246688.db2.gz VCTYDFBNQSSQCP-MRXNPFEDSA-N 1 1 389.845 4.456 20 0 GIADMO O=C(CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)Nc1ccccc1-c1ccccc1 ZINC000459670520 823246951 /nfs/dbraw/zinc/24/69/51/823246951.db2.gz JXWZSOSMZJGHRP-IRLDBZIGSA-N 1 1 376.500 4.183 20 0 GIADMO FC(F)Oc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1Cl ZINC000121791498 823252348 /nfs/dbraw/zinc/25/23/48/823252348.db2.gz HBWOLTGVEDKGNC-AWEZNQCLSA-N 1 1 392.837 4.364 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459680805 823249339 /nfs/dbraw/zinc/24/93/39/823249339.db2.gz RJXYYMXMHFSADU-AGHHOFFYSA-N 1 1 376.500 4.182 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459680807 823249705 /nfs/dbraw/zinc/24/97/05/823249705.db2.gz RJXYYMXMHFSADU-PIPMEXSNSA-N 1 1 376.500 4.182 20 0 GIADMO COc1cc(OC)c(C[N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)c(OC)c1 ZINC000571905077 823252205 /nfs/dbraw/zinc/25/22/05/823252205.db2.gz ZOXNTOBOBWQCCV-QGZVFWFLSA-N 1 1 395.503 4.035 20 0 GIADMO CN(C(=O)c1ccc(NC/C=C\c2ccc(F)c(F)c2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000571923941 823254980 /nfs/dbraw/zinc/25/49/80/823254980.db2.gz HMURXWPJFNTDKK-MNKBLEIRSA-N 1 1 399.485 4.256 20 0 GIADMO O=C(Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1)c1ccco1 ZINC000057153272 823255748 /nfs/dbraw/zinc/25/57/48/823255748.db2.gz SEFGQBHFATTYKG-FQEVSTJZSA-N 1 1 389.455 4.135 20 0 GIADMO Cc1cc(Br)ccc1-c1noc([C@@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000571932574 823256542 /nfs/dbraw/zinc/25/65/42/823256542.db2.gz YEZFXFWBPTWMLM-QGZVFWFLSA-N 1 1 382.277 4.477 20 0 GIADMO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121813593 823256653 /nfs/dbraw/zinc/25/66/53/823256653.db2.gz YCCATQOXPALKRF-LJQANCHMSA-N 1 1 391.559 4.393 20 0 GIADMO Cc1cccc2nc(C3CCN(C(=O)[C@@H]4CC[N@H+](C5CCCCC5)C4)CC3)oc21 ZINC000188530716 823258088 /nfs/dbraw/zinc/25/80/88/823258088.db2.gz GWLZZIVUFZWEAM-LJQANCHMSA-N 1 1 395.547 4.497 20 0 GIADMO O=C(CCc1cccc(OC2CCCC2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409594413 823257163 /nfs/dbraw/zinc/25/71/63/823257163.db2.gz IGKJSACUZNYUNZ-UHFFFAOYSA-N 1 1 392.543 4.285 20 0 GIADMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000057169341 823258288 /nfs/dbraw/zinc/25/82/88/823258288.db2.gz YVFXFOQYINUWBV-FPOVZHCZSA-N 1 1 389.499 4.198 20 0 GIADMO FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1 ZINC000459741495 823259160 /nfs/dbraw/zinc/25/91/60/823259160.db2.gz YJGXOGRBOWHNKV-IRXDYDNUSA-N 1 1 377.410 4.096 20 0 GIADMO O[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C[C@H]1C1CCCC1 ZINC000459743431 823259263 /nfs/dbraw/zinc/25/92/63/823259263.db2.gz CKDDNQJTUWEIDZ-RBUKOAKNSA-N 1 1 392.337 4.098 20 0 GIADMO C[C@@H](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)N1CCCCC1=O ZINC000188538350 823259237 /nfs/dbraw/zinc/25/92/37/823259237.db2.gz RXZHHIJLRJFKIT-SFHVURJKSA-N 1 1 385.552 4.181 20 0 GIADMO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057175642 823259417 /nfs/dbraw/zinc/25/94/17/823259417.db2.gz SFZHQXXIEDOOLU-HXUWFJFHSA-N 1 1 393.531 4.066 20 0 GIADMO Cc1cccc2nc(C3CCN(C(=O)NC[C@@H]4CCC[N@H+](C(C)C)C4)CC3)oc21 ZINC000188538736 823259563 /nfs/dbraw/zinc/25/95/63/823259563.db2.gz BSEQVEYOGMEGKS-SFHVURJKSA-N 1 1 398.551 4.146 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000176659032 823260016 /nfs/dbraw/zinc/26/00/16/823260016.db2.gz NFUZYFNDACYINB-PTUXOGIPSA-N 1 1 379.548 4.137 20 0 GIADMO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000571966603 823262091 /nfs/dbraw/zinc/26/20/91/823262091.db2.gz RIUIETKSXIWFPC-NSHDSACASA-N 1 1 384.307 4.415 20 0 GIADMO COc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459767070 823262183 /nfs/dbraw/zinc/26/21/83/823262183.db2.gz MNDHVYRGCXAQPQ-GOSISDBHSA-N 1 1 385.533 4.155 20 0 GIADMO C[C@@H]1CCN(C(=O)NC[C@H]2CCCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000409616002 823262626 /nfs/dbraw/zinc/26/26/26/823262626.db2.gz BTIIPGUXFSRXOB-MJGOQNOKSA-N 1 1 379.495 4.118 20 0 GIADMO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1ccc(Cl)cc1 ZINC000409623212 823264292 /nfs/dbraw/zinc/26/42/92/823264292.db2.gz HGCCWPJSBPUCQU-OAHLLOKOSA-N 1 1 390.911 4.057 20 0 GIADMO CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1ccc(Cl)cc1 ZINC000409623212 823264293 /nfs/dbraw/zinc/26/42/93/823264293.db2.gz HGCCWPJSBPUCQU-OAHLLOKOSA-N 1 1 390.911 4.057 20 0 GIADMO CCO[C@@H]1C[C@@H]([NH2+][C@H](c2nccn2C)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000571978190 823264540 /nfs/dbraw/zinc/26/45/40/823264540.db2.gz YTQCSMBEUQRADM-YUMYIRISSA-N 1 1 393.556 4.437 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459787749 823265000 /nfs/dbraw/zinc/26/50/00/823265000.db2.gz CVVDDMOEUPZRHR-HOTGVXAUSA-N 1 1 376.541 4.048 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000409625110 823265072 /nfs/dbraw/zinc/26/50/72/823265072.db2.gz OGRHNGBIZHXBHG-QRQLOZEOSA-N 1 1 379.495 4.164 20 0 GIADMO C[C@@H](C[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1)C(=O)OC(C)(C)C ZINC000459807120 823266177 /nfs/dbraw/zinc/26/61/77/823266177.db2.gz NKYMBYRONCICFC-ZDUSSCGKSA-N 1 1 391.537 4.087 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1)C(=O)OC(C)(C)C ZINC000459807120 823266182 /nfs/dbraw/zinc/26/61/82/823266182.db2.gz NKYMBYRONCICFC-ZDUSSCGKSA-N 1 1 391.537 4.087 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)cc2)CC1 ZINC000057250084 823270922 /nfs/dbraw/zinc/27/09/22/823270922.db2.gz HAVPIAPQSMTROT-RTBURBONSA-N 1 1 397.485 4.131 20 0 GIADMO C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000176703198 823271847 /nfs/dbraw/zinc/27/18/47/823271847.db2.gz KFDJUGVJCJWUMD-YALNPMBYSA-N 1 1 399.362 4.103 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000409647114 823272965 /nfs/dbraw/zinc/27/29/65/823272965.db2.gz YSXNWKBYIRRAEB-ZWKOTPCHSA-N 1 1 377.916 4.410 20 0 GIADMO O=C(CC1CC(c2ccccc2)C1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000409650222 823274100 /nfs/dbraw/zinc/27/41/00/823274100.db2.gz BTVPZZRCJNPQOK-YNEXMFEJSA-N 1 1 376.544 4.251 20 0 GIADMO CCCc1ccccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000409675032 823280363 /nfs/dbraw/zinc/28/03/63/823280363.db2.gz JINUPIAEFIEESI-SFHVURJKSA-N 1 1 381.520 4.182 20 0 GIADMO CCCc1ccccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000409675032 823280367 /nfs/dbraw/zinc/28/03/67/823280367.db2.gz JINUPIAEFIEESI-SFHVURJKSA-N 1 1 381.520 4.182 20 0 GIADMO COC(=O)c1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1F ZINC000121929495 823278915 /nfs/dbraw/zinc/27/89/15/823278915.db2.gz KUBFYBJADPFYMF-LPHOPBHVSA-N 1 1 375.440 4.074 20 0 GIADMO COc1c(Cl)cccc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572082185 823280034 /nfs/dbraw/zinc/28/00/34/823280034.db2.gz YTWGQOXYWJCLAW-ZWKOTPCHSA-N 1 1 399.922 4.334 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(Cl)nc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176720722 823276868 /nfs/dbraw/zinc/27/68/68/823276868.db2.gz PWPUTPPQYNMOIV-OCCSQVGLSA-N 1 1 396.293 4.310 20 0 GIADMO Cc1cccc(C(C)(C)CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000572064177 823276985 /nfs/dbraw/zinc/27/69/85/823276985.db2.gz ZMYSRKMJFVRUTO-UHFFFAOYSA-N 1 1 384.430 4.221 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1Cl ZINC000121937764 823280738 /nfs/dbraw/zinc/28/07/38/823280738.db2.gz UDSCQPJDPGHZCW-YJBOKZPZSA-N 1 1 376.884 4.240 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1Cl ZINC000121937764 823280743 /nfs/dbraw/zinc/28/07/43/823280743.db2.gz UDSCQPJDPGHZCW-YJBOKZPZSA-N 1 1 376.884 4.240 20 0 GIADMO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000460027311 823280854 /nfs/dbraw/zinc/28/08/54/823280854.db2.gz QAVNCCJTXDJEHT-WJPUGNRLSA-N 1 1 382.529 4.009 20 0 GIADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)C1 ZINC000409684704 823282518 /nfs/dbraw/zinc/28/25/18/823282518.db2.gz JBRITNLIMZIKOK-KRWDZBQOSA-N 1 1 384.568 4.148 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000572118068 823286099 /nfs/dbraw/zinc/28/60/99/823286099.db2.gz SNRZFNGCAZIGLO-UHFFFAOYSA-N 1 1 390.793 4.298 20 0 GIADMO CSc1cccc(F)c1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000409711595 823288100 /nfs/dbraw/zinc/28/81/00/823288100.db2.gz LQKSMHPLXWGPBV-GASCZTMLSA-N 1 1 388.508 4.409 20 0 GIADMO CSc1cccc(F)c1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000409711595 823288105 /nfs/dbraw/zinc/28/81/05/823288105.db2.gz LQKSMHPLXWGPBV-GASCZTMLSA-N 1 1 388.508 4.409 20 0 GIADMO CSc1ccc(CNC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000460121296 823288468 /nfs/dbraw/zinc/28/84/68/823288468.db2.gz OCFWHOWPDPUPRG-NHCUHLMSSA-N 1 1 395.572 4.072 20 0 GIADMO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000007285787 817810584 /nfs/dbraw/zinc/81/05/84/817810584.db2.gz OIDTTXXVIAKZTI-UHFFFAOYSA-N 1 1 388.446 4.211 20 0 GIADMO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000007285787 817810593 /nfs/dbraw/zinc/81/05/93/817810593.db2.gz OIDTTXXVIAKZTI-UHFFFAOYSA-N 1 1 388.446 4.211 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)Nc1ccc(Br)cc1 ZINC000007374570 817827067 /nfs/dbraw/zinc/82/70/67/817827067.db2.gz IKHYTAHQIKKCBT-GHMZBOCLSA-N 1 1 383.236 4.405 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc(Br)c1OC ZINC000572159551 823292121 /nfs/dbraw/zinc/29/21/21/823292121.db2.gz RDMDNJMFUCACFL-RDJZCZTQSA-N 1 1 398.341 4.247 20 0 GIADMO FC(F)c1c(-c2nc(-c3ccc4[nH]ccc4c3)no2)cnn1-c1cc[nH+]cc1 ZINC000572162139 823292378 /nfs/dbraw/zinc/29/23/78/823292378.db2.gz GKQVWBWPYOTWAN-UHFFFAOYSA-N 1 1 378.342 4.403 20 0 GIADMO C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(F)c(F)c1 ZINC000460135990 823292825 /nfs/dbraw/zinc/29/28/25/823292825.db2.gz ASHRGBBLYCFENW-BZUAXINKSA-N 1 1 388.458 4.316 20 0 GIADMO CN(C)c1ncccc1N(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000176788254 823292987 /nfs/dbraw/zinc/29/29/87/823292987.db2.gz HWPCGHJKDSNTMF-UHFFFAOYSA-N 1 1 388.515 4.056 20 0 GIADMO CCCOc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1OCC ZINC000572167130 823293265 /nfs/dbraw/zinc/29/32/65/823293265.db2.gz QZIGAMATZBNMPK-GOSISDBHSA-N 1 1 375.431 4.153 20 0 GIADMO O=C(CCC(=O)c1cccs1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007492023 817853956 /nfs/dbraw/zinc/85/39/56/817853956.db2.gz NOSCEYIZSBGXGX-UHFFFAOYSA-N 1 1 390.936 4.145 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)[C@H](C)c3ccc(C(F)(F)F)cc3)CC2)[nH+]c1 ZINC000409731943 823293600 /nfs/dbraw/zinc/29/36/00/823293600.db2.gz AWNVGSWJFKQMPY-OAHLLOKOSA-N 1 1 391.437 4.298 20 0 GIADMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007554731 817868476 /nfs/dbraw/zinc/86/84/76/817868476.db2.gz FVYZISKSBLQFPD-PXNSSMCTSA-N 1 1 379.529 4.305 20 0 GIADMO CCN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000460140240 823294895 /nfs/dbraw/zinc/29/48/95/823294895.db2.gz ASRZZCHCGLSSBJ-NHCUHLMSSA-N 1 1 387.568 4.030 20 0 GIADMO CCN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000460140241 823294908 /nfs/dbraw/zinc/29/49/08/823294908.db2.gz ASRZZCHCGLSSBJ-RTWAWAEBSA-N 1 1 387.568 4.030 20 0 GIADMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)NCc1ccccc1 ZINC000007615109 817879631 /nfs/dbraw/zinc/87/96/31/817879631.db2.gz MZYVAYFDPBMGFA-QFIPXVFZSA-N 1 1 396.437 4.283 20 0 GIADMO C[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccc(Oc2cccnc2)cc1 ZINC000572196012 823297934 /nfs/dbraw/zinc/29/79/34/823297934.db2.gz FCYPFCWSVBNHQH-LQBOVUBWSA-N 1 1 394.519 4.061 20 0 GIADMO COCCn1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c2ccccc21 ZINC000057433930 823296576 /nfs/dbraw/zinc/29/65/76/823296576.db2.gz OZTGVKKAHMAJOM-UHFFFAOYSA-N 1 1 393.531 4.058 20 0 GIADMO COc1ccc2c(c1)CCN2C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000176816977 823300698 /nfs/dbraw/zinc/30/06/98/823300698.db2.gz GPHWTDPWLODGIZ-HNNXBMFYSA-N 1 1 376.460 4.023 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000007797958 817918374 /nfs/dbraw/zinc/91/83/74/817918374.db2.gz BREMRDSUHIDLSQ-QGZVFWFLSA-N 1 1 384.829 4.320 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C(C)C)cc2)cc1 ZINC000007905553 817954890 /nfs/dbraw/zinc/95/48/90/817954890.db2.gz XWDCAJGGRAIDQV-UHFFFAOYSA-N 1 1 395.547 4.363 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)cc2)cc1 ZINC000007905553 817954899 /nfs/dbraw/zinc/95/48/99/817954899.db2.gz XWDCAJGGRAIDQV-UHFFFAOYSA-N 1 1 395.547 4.363 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)cc1OC ZINC000007929870 817962988 /nfs/dbraw/zinc/96/29/88/817962988.db2.gz BVRCPOLRSDEYBS-MRXNPFEDSA-N 1 1 378.472 4.316 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc3ccccc32)cc1OC ZINC000007929870 817962993 /nfs/dbraw/zinc/96/29/93/817962993.db2.gz BVRCPOLRSDEYBS-MRXNPFEDSA-N 1 1 378.472 4.316 20 0 GIADMO C[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000572202352 823299090 /nfs/dbraw/zinc/29/90/90/823299090.db2.gz MGQFCLDOGSUKMM-AVRWGWEMSA-N 1 1 398.355 4.347 20 0 GIADMO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000572202352 823299094 /nfs/dbraw/zinc/29/90/94/823299094.db2.gz MGQFCLDOGSUKMM-AVRWGWEMSA-N 1 1 398.355 4.347 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000007995836 817977511 /nfs/dbraw/zinc/97/75/11/817977511.db2.gz JJFPYOCYGWWAQJ-IRXDYDNUSA-N 1 1 381.520 4.019 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000007995836 817977519 /nfs/dbraw/zinc/97/75/19/817977519.db2.gz JJFPYOCYGWWAQJ-IRXDYDNUSA-N 1 1 381.520 4.019 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)cc1 ZINC000008126371 818004458 /nfs/dbraw/zinc/00/44/58/818004458.db2.gz YLKAFQOUDWYUJX-JOCHJYFZSA-N 1 1 393.531 4.117 20 0 GIADMO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000188784749 823305125 /nfs/dbraw/zinc/30/51/25/823305125.db2.gz QURMJUGAAAFVSW-JKSUJKDBSA-N 1 1 388.533 4.218 20 0 GIADMO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)c(Br)c1 ZINC000008241708 818022006 /nfs/dbraw/zinc/02/20/06/818022006.db2.gz INQSPFXCISVHSQ-LLVKDONJSA-N 1 1 383.236 4.325 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)c1ccc(F)cc1F ZINC000008241004 818022062 /nfs/dbraw/zinc/02/20/62/818022062.db2.gz LSAAVJBUOLALMN-NWDGAFQWSA-N 1 1 397.263 4.255 20 0 GIADMO COc1ccc2cc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)ccc2c1 ZINC000010974875 818037715 /nfs/dbraw/zinc/03/77/15/818037715.db2.gz LDKYCVUXFBRKEX-UHFFFAOYSA-N 1 1 392.474 4.336 20 0 GIADMO COc1ccc2cc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)ccc2c1 ZINC000010974875 818037725 /nfs/dbraw/zinc/03/77/25/818037725.db2.gz LDKYCVUXFBRKEX-UHFFFAOYSA-N 1 1 392.474 4.336 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000011011234 818043962 /nfs/dbraw/zinc/04/39/62/818043962.db2.gz BHIZZGMZROCEPH-UHFFFAOYSA-N 1 1 388.467 4.342 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000011057312 818048392 /nfs/dbraw/zinc/04/83/92/818048392.db2.gz XGUKOYBJUOPLBM-UHFFFAOYSA-N 1 1 397.500 4.268 20 0 GIADMO O=C(C[NH+]1CCC(CCc2ccccc2)CC1)Nc1ccnn1C1CCCC1 ZINC000011155726 818058070 /nfs/dbraw/zinc/05/80/70/818058070.db2.gz GSZNOFQCOYFZRI-UHFFFAOYSA-N 1 1 380.536 4.282 20 0 GIADMO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460185113 823309243 /nfs/dbraw/zinc/30/92/43/823309243.db2.gz RWPFARIWSRFAAO-MSOLQXFVSA-N 1 1 387.597 4.208 20 0 GIADMO Cc1ccc(OCC[N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000011475757 818085299 /nfs/dbraw/zinc/08/52/99/818085299.db2.gz QNGOUMALOLEWLU-HSZRJFAPSA-N 1 1 394.540 4.273 20 0 GIADMO Cc1ccc(OCC[N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000011475757 818085303 /nfs/dbraw/zinc/08/53/03/818085303.db2.gz QNGOUMALOLEWLU-HSZRJFAPSA-N 1 1 394.540 4.273 20 0 GIADMO C[N@H+](CCOc1ccccc1F)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000011477086 818085416 /nfs/dbraw/zinc/08/54/16/818085416.db2.gz WQQJRRWGCPECSD-QFIPXVFZSA-N 1 1 398.503 4.104 20 0 GIADMO C[N@@H+](CCOc1ccccc1F)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000011477086 818085423 /nfs/dbraw/zinc/08/54/23/818085423.db2.gz WQQJRRWGCPECSD-QFIPXVFZSA-N 1 1 398.503 4.104 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)C[C@H]3c3ccccc3F)CC2)[nH+]1 ZINC000176856290 823311068 /nfs/dbraw/zinc/31/10/68/823311068.db2.gz MYFCMZGQRHSZNM-IERDGZPVSA-N 1 1 396.510 4.291 20 0 GIADMO CCn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460190939 823311172 /nfs/dbraw/zinc/31/11/72/823311172.db2.gz HCTDQZVQNWVXJL-HKUYNNGSSA-N 1 1 387.597 4.065 20 0 GIADMO COc1cc(CN(C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)ccc1SC ZINC000057613283 823314966 /nfs/dbraw/zinc/31/49/66/823314966.db2.gz MMBZTQUGROKDFK-KRWDZBQOSA-N 1 1 393.597 4.071 20 0 GIADMO COc1ccc2c(CC(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@@H]43)coc2c1 ZINC000011760235 818117327 /nfs/dbraw/zinc/11/73/27/818117327.db2.gz DTNPXCXXBGBLFW-IRLDBZIGSA-N 1 1 390.483 4.127 20 0 GIADMO CC[C@H](NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1nc(C)cs1 ZINC000122154449 823314014 /nfs/dbraw/zinc/31/40/14/823314014.db2.gz ZRNSCGUZCHDSFG-KDOFPFPSSA-N 1 1 383.521 4.457 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000409813077 823314389 /nfs/dbraw/zinc/31/43/89/823314389.db2.gz RYURTBGFNVLZCE-VWNXMTODSA-N 1 1 376.544 4.031 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012284698 818153064 /nfs/dbraw/zinc/15/30/64/818153064.db2.gz DGFBAMVABGWPPX-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012284698 818153070 /nfs/dbraw/zinc/15/30/70/818153070.db2.gz DGFBAMVABGWPPX-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO CC[C@@H](C)N(Cc1ccccc1)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000176883134 823316652 /nfs/dbraw/zinc/31/66/52/823316652.db2.gz DBGZSNMCLQRMDC-GOSISDBHSA-N 1 1 395.551 4.073 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2cccnc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000188848976 823317073 /nfs/dbraw/zinc/31/70/73/823317073.db2.gz FZZVAYVYQTYIPI-WBVHZDCISA-N 1 1 391.437 4.226 20 0 GIADMO COc1ccccc1C[C@H](C)CC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000409827546 823318399 /nfs/dbraw/zinc/31/83/99/823318399.db2.gz SJRVRETVHHAICC-RXVVDRJESA-N 1 1 378.516 4.275 20 0 GIADMO CCOC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C(C)C ZINC000188867976 823320094 /nfs/dbraw/zinc/32/00/94/823320094.db2.gz GDSQFBFRSBGVEO-SFHVURJKSA-N 1 1 379.501 4.118 20 0 GIADMO CCN(C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000014326986 818235314 /nfs/dbraw/zinc/23/53/14/818235314.db2.gz LVAKSWUEEMYDSQ-GOSISDBHSA-N 1 1 394.515 4.032 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCOc2c(Br)cccc21)C(=O)Nc1cccc(F)c1 ZINC000409844931 823323603 /nfs/dbraw/zinc/32/36/03/823323603.db2.gz OIVXODHQSDVFOK-BDJLRTHQSA-N 1 1 393.256 4.029 20 0 GIADMO C[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)[N@@H+](C)C1CC1 ZINC000057711676 823324005 /nfs/dbraw/zinc/32/40/05/823324005.db2.gz PGZNCSOPPNWIRV-OAHLLOKOSA-N 1 1 393.462 4.360 20 0 GIADMO O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)Nc1c(Cl)cccc1Cl ZINC000572353766 823326423 /nfs/dbraw/zinc/32/64/23/823326423.db2.gz MXEXVLUAPMCAOT-XKQJLSEDSA-N 1 1 385.335 4.338 20 0 GIADMO C[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)C1CC1 ZINC000057713216 823324247 /nfs/dbraw/zinc/32/42/47/823324247.db2.gz WUNYXLVYZMCGIR-LBPRGKRZSA-N 1 1 396.318 4.180 20 0 GIADMO Cc1cc(CNC(=O)NC2(c3ccccc3)CCCC2)cc(N2CCCC2)[nH+]1 ZINC000460236340 823326492 /nfs/dbraw/zinc/32/64/92/823326492.db2.gz LGQNVZQRYOCUIG-UHFFFAOYSA-N 1 1 378.520 4.259 20 0 GIADMO O=C(CC[N@H+]1CC[C@@H](c2cccnc2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000572360101 823327204 /nfs/dbraw/zinc/32/72/04/823327204.db2.gz GJLZDKHDKIAQTP-NFBKMPQASA-N 1 1 391.540 4.228 20 0 GIADMO CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000015300303 818309418 /nfs/dbraw/zinc/30/94/18/818309418.db2.gz KEIKKUSCPVPKNY-OAHLLOKOSA-N 1 1 376.447 4.160 20 0 GIADMO CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000015300303 818309422 /nfs/dbraw/zinc/30/94/22/818309422.db2.gz KEIKKUSCPVPKNY-OAHLLOKOSA-N 1 1 376.447 4.160 20 0 GIADMO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000015312655 818311644 /nfs/dbraw/zinc/31/16/44/818311644.db2.gz AIZHHBXNDYVESC-VGOFRKELSA-N 1 1 396.531 4.281 20 0 GIADMO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000015312655 818311652 /nfs/dbraw/zinc/31/16/52/818311652.db2.gz AIZHHBXNDYVESC-VGOFRKELSA-N 1 1 396.531 4.281 20 0 GIADMO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000015358503 818316323 /nfs/dbraw/zinc/31/63/23/818316323.db2.gz ALGDBRKKBPPCMC-NRFANRHFSA-N 1 1 382.460 4.408 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015372321 818319188 /nfs/dbraw/zinc/31/91/88/818319188.db2.gz LGIQGCRYGZKRII-FQEVSTJZSA-N 1 1 379.460 4.481 20 0 GIADMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000015372321 818319194 /nfs/dbraw/zinc/31/91/94/818319194.db2.gz LGIQGCRYGZKRII-FQEVSTJZSA-N 1 1 379.460 4.481 20 0 GIADMO COc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1F ZINC000057752906 823328738 /nfs/dbraw/zinc/32/87/38/823328738.db2.gz YIMRFBQHZQEFMF-MRXNPFEDSA-N 1 1 385.483 4.388 20 0 GIADMO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000057755142 823328844 /nfs/dbraw/zinc/32/88/44/823328844.db2.gz KYTZAGOTUUNKEK-INIZCTEOSA-N 1 1 390.955 4.414 20 0 GIADMO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000057755146 823329009 /nfs/dbraw/zinc/32/90/09/823329009.db2.gz KYTZAGOTUUNKEK-MRXNPFEDSA-N 1 1 390.955 4.414 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000015509563 818332038 /nfs/dbraw/zinc/33/20/38/818332038.db2.gz PNXWDFCDVWHCJY-OLZOCXBDSA-N 1 1 396.409 4.400 20 0 GIADMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000015504514 818332271 /nfs/dbraw/zinc/33/22/71/818332271.db2.gz BQMMFOJWRMCTAP-SFHVURJKSA-N 1 1 380.536 4.428 20 0 GIADMO CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000176938853 823329382 /nfs/dbraw/zinc/32/93/82/823329382.db2.gz WZOSYIYPTUEBGH-OALUTQOASA-N 1 1 393.622 4.421 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@@H]3C)o2)cc1F ZINC000409870457 823331404 /nfs/dbraw/zinc/33/14/04/823331404.db2.gz OCYICLSAFMHPBW-XDKFSHSGSA-N 1 1 393.462 4.456 20 0 GIADMO Cc1cccc2nc(C3CC[NH+](CN4C(=O)C[C@H]4c4ccccc4)CC3)oc21 ZINC000188956000 823333898 /nfs/dbraw/zinc/33/38/98/823333898.db2.gz TXIFBZTVJVWUGX-FQEVSTJZSA-N 1 1 375.472 4.247 20 0 GIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)C1CCC1)CC2 ZINC000122297628 823334177 /nfs/dbraw/zinc/33/41/77/823334177.db2.gz JCWFVFZEKHZJJR-UHFFFAOYSA-N 1 1 380.488 4.001 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)C1CCC1)CC2 ZINC000122297628 823334182 /nfs/dbraw/zinc/33/41/82/823334182.db2.gz JCWFVFZEKHZJJR-UHFFFAOYSA-N 1 1 380.488 4.001 20 0 GIADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CSc2ccc3ccccc3n2)CC1 ZINC000016210469 818406907 /nfs/dbraw/zinc/40/69/07/818406907.db2.gz HROLCEIXDVVEDJ-GOSISDBHSA-N 1 1 391.540 4.232 20 0 GIADMO CC(=O)c1ccc(NC(=S)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000016264789 818413138 /nfs/dbraw/zinc/41/31/38/818413138.db2.gz DIZVSYOJINFOGL-GOSISDBHSA-N 1 1 375.925 4.132 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339564 818426978 /nfs/dbraw/zinc/42/69/78/818426978.db2.gz IZFVUHRLRMFEOC-NRFANRHFSA-N 1 1 394.515 4.032 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339564 818426985 /nfs/dbraw/zinc/42/69/85/818426985.db2.gz IZFVUHRLRMFEOC-NRFANRHFSA-N 1 1 394.515 4.032 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(CSC)cc1 ZINC000176963931 823336207 /nfs/dbraw/zinc/33/62/07/823336207.db2.gz JUYAASJAEHVLRZ-NRFANRHFSA-N 1 1 398.576 4.463 20 0 GIADMO C[C@H](NC(=O)C[N@H+](C)CCOc1ccccc1F)c1ccc2ccccc2c1 ZINC000016422938 818441181 /nfs/dbraw/zinc/44/11/81/818441181.db2.gz LVEKTYGWOORSRZ-KRWDZBQOSA-N 1 1 380.463 4.167 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](C)CCOc1ccccc1F)c1ccc2ccccc2c1 ZINC000016422938 818441187 /nfs/dbraw/zinc/44/11/87/818441187.db2.gz LVEKTYGWOORSRZ-KRWDZBQOSA-N 1 1 380.463 4.167 20 0 GIADMO CC(C)[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000016435203 818442200 /nfs/dbraw/zinc/44/22/00/818442200.db2.gz UWIHDNCYMZIBQG-BTYIYWSLSA-N 1 1 388.533 4.026 20 0 GIADMO CC(C)[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000016435203 818442202 /nfs/dbraw/zinc/44/22/02/818442202.db2.gz UWIHDNCYMZIBQG-BTYIYWSLSA-N 1 1 388.533 4.026 20 0 GIADMO C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)[N@H+]1CCc2ccccc2C1 ZINC000409890358 823336790 /nfs/dbraw/zinc/33/67/90/823336790.db2.gz HIETUYFVDGCPBN-CQQLTZKSSA-N 1 1 378.516 4.070 20 0 GIADMO C[C@@H](CNC(=O)[C@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)[N@H+]1CCc2ccccc2C1 ZINC000409890359 823336879 /nfs/dbraw/zinc/33/68/79/823336879.db2.gz HIETUYFVDGCPBN-DTXWBZGDSA-N 1 1 378.516 4.070 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC ZINC000016590749 818456904 /nfs/dbraw/zinc/45/69/04/818456904.db2.gz KKZITPDVGIHBNJ-INIZCTEOSA-N 1 1 384.520 4.460 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC ZINC000016590749 818456908 /nfs/dbraw/zinc/45/69/08/818456908.db2.gz KKZITPDVGIHBNJ-INIZCTEOSA-N 1 1 384.520 4.460 20 0 GIADMO c1coc(C[NH+]2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000016738729 818472627 /nfs/dbraw/zinc/47/26/27/818472627.db2.gz CQFGZKSYAYHOLJ-UHFFFAOYSA-N 1 1 376.485 4.274 20 0 GIADMO CC(C)n1cnc(C(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)c1 ZINC000409899541 823339384 /nfs/dbraw/zinc/33/93/84/823339384.db2.gz DWWQOVJQGWWTBN-NRFANRHFSA-N 1 1 398.551 4.496 20 0 GIADMO CCCC[C@H](C)N(C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000460284262 823339693 /nfs/dbraw/zinc/33/96/93/823339693.db2.gz WHGYFQKYQVOEFJ-INIZCTEOSA-N 1 1 380.602 4.138 20 0 GIADMO Clc1ccc2ncc(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000572444738 823340453 /nfs/dbraw/zinc/34/04/53/823340453.db2.gz CSXNREYCJUYSLD-QFIPXVFZSA-N 1 1 380.923 4.086 20 0 GIADMO CCOc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000057870630 823343493 /nfs/dbraw/zinc/34/34/93/823343493.db2.gz MTEXZNWRNHWLDO-UHFFFAOYSA-N 1 1 394.437 4.195 20 0 GIADMO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000057870630 823343499 /nfs/dbraw/zinc/34/34/99/823343499.db2.gz MTEXZNWRNHWLDO-UHFFFAOYSA-N 1 1 394.437 4.195 20 0 GIADMO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000057863266 823343273 /nfs/dbraw/zinc/34/32/73/823343273.db2.gz QYGXUXLKBPDUOC-OAHLLOKOSA-N 1 1 376.501 4.330 20 0 GIADMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000057863266 823343279 /nfs/dbraw/zinc/34/32/79/823343279.db2.gz QYGXUXLKBPDUOC-OAHLLOKOSA-N 1 1 376.501 4.330 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305815 818507019 /nfs/dbraw/zinc/50/70/19/818507019.db2.gz MTLDDVDJSTXLEX-QGZVFWFLSA-N 1 1 391.519 4.024 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305815 818507027 /nfs/dbraw/zinc/50/70/27/818507027.db2.gz MTLDDVDJSTXLEX-QGZVFWFLSA-N 1 1 391.519 4.024 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000017305781 818507084 /nfs/dbraw/zinc/50/70/84/818507084.db2.gz MOUKWGSIUNTWAK-KRWDZBQOSA-N 1 1 385.471 4.052 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000017305781 818507093 /nfs/dbraw/zinc/50/70/93/818507093.db2.gz MOUKWGSIUNTWAK-KRWDZBQOSA-N 1 1 385.471 4.052 20 0 GIADMO C[NH+]1CCC(NCc2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000017314100 818508841 /nfs/dbraw/zinc/50/88/41/818508841.db2.gz MJYJHNMEUHONJF-UHFFFAOYSA-N 1 1 394.950 4.436 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000176981721 823341828 /nfs/dbraw/zinc/34/18/28/823341828.db2.gz WQLRITANRDKFBF-NEPJUHHUSA-N 1 1 398.290 4.189 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000122364382 823344195 /nfs/dbraw/zinc/34/41/95/823344195.db2.gz ICWKTSLTWQOOFJ-RDGPPVDQSA-N 1 1 381.520 4.099 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC(=O)c4ccccc43)cc2)C1 ZINC000572465400 823345043 /nfs/dbraw/zinc/34/50/43/823345043.db2.gz ZUXBPWFREZUEIZ-MBSDFSHPSA-N 1 1 390.527 4.295 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC(=O)c4ccccc43)cc2)C1 ZINC000572465398 823345094 /nfs/dbraw/zinc/34/50/94/823345094.db2.gz ZUXBPWFREZUEIZ-FDDCHVKYSA-N 1 1 390.527 4.295 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1cc(F)cc(F)c1 ZINC000057890292 823345763 /nfs/dbraw/zinc/34/57/63/823345763.db2.gz XKPXILKGFQFROI-MRXNPFEDSA-N 1 1 387.474 4.339 20 0 GIADMO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1cccc(OC)c1OC ZINC000572469765 823345816 /nfs/dbraw/zinc/34/58/16/823345816.db2.gz HUUSNUHSUSDFBS-UHFFFAOYSA-N 1 1 379.504 4.304 20 0 GIADMO Cc1cc(NC(=O)CC2CC(F)(F)C2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000572472075 823346135 /nfs/dbraw/zinc/34/61/35/823346135.db2.gz TWVAESWLUMWBQF-SFHVURJKSA-N 1 1 388.462 4.012 20 0 GIADMO C[C@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189051557 823348847 /nfs/dbraw/zinc/34/88/47/823348847.db2.gz HLQCKQNVHQBYNB-DOTOQJQBSA-N 1 1 392.503 4.206 20 0 GIADMO COc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)COCc2cccs2)cc1 ZINC000057972919 823351569 /nfs/dbraw/zinc/35/15/69/823351569.db2.gz DZJVOBQKHAAACU-GHTZIAJQSA-N 1 1 375.534 4.252 20 0 GIADMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000057974699 823351861 /nfs/dbraw/zinc/35/18/61/823351861.db2.gz IKWWKNJANRGWRI-DYVFJYSZSA-N 1 1 382.273 4.021 20 0 GIADMO C[C@H](c1ccccc1Br)[N@@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000177026348 823352680 /nfs/dbraw/zinc/35/26/80/823352680.db2.gz VUAFBXBJYUGIJQ-GFCCVEGCSA-N 1 1 394.288 4.192 20 0 GIADMO CN(C)C(=O)Sc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000177026306 823352780 /nfs/dbraw/zinc/35/27/80/823352780.db2.gz CUKDXWMYKGWCKS-HXUWFJFHSA-N 1 1 384.545 4.499 20 0 GIADMO CC[N@@H+]1CCC[C@H]1CNCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020683461 818629879 /nfs/dbraw/zinc/62/98/79/818629879.db2.gz KDHAAUSGBDDTON-QFIPXVFZSA-N 1 1 390.531 4.122 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000020683461 818629886 /nfs/dbraw/zinc/62/98/86/818629886.db2.gz KDHAAUSGBDDTON-QFIPXVFZSA-N 1 1 390.531 4.122 20 0 GIADMO Fc1cccc(-c2cnc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)o2)c1 ZINC000572530176 823355328 /nfs/dbraw/zinc/35/53/28/823355328.db2.gz MBCHVLSVJXXOIO-SFTDATJTSA-N 1 1 391.490 4.435 20 0 GIADMO CSCCCNC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020916838 818640291 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/nfs/dbraw/zinc/41/46/07/823414607.db2.gz YAAHFINJWFCPPF-IBGZPJMESA-N 1 1 380.536 4.188 20 0 GIADMO CCN(C(=O)Nc1ccccc1CCOC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189432936 823414729 /nfs/dbraw/zinc/41/47/29/823414729.db2.gz PRMXXSOLZNSIIR-OAQYLSRUSA-N 1 1 381.520 4.004 20 0 GIADMO CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c2ccccc21 ZINC000572890984 823414831 /nfs/dbraw/zinc/41/48/31/823414831.db2.gz QOHIEEWHIKYTRZ-FSSWDIPSSA-N 1 1 384.495 4.200 20 0 GIADMO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000572889283 823414890 /nfs/dbraw/zinc/41/48/90/823414890.db2.gz HNYOFQOUOCVNMS-YOEHRIQHSA-N 1 1 381.442 4.232 20 0 GIADMO C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccccc1-n1cccn1 ZINC000177267365 823415064 /nfs/dbraw/zinc/41/50/64/823415064.db2.gz ZXUVLRCXYASJIZ-WMZHIEFXSA-N 1 1 388.515 4.277 20 0 GIADMO CC[C@@H]1CN(C(=O)Nc2ccccc2CCOC)CC[N@H+]1Cc1ccccc1 ZINC000189448321 823419127 /nfs/dbraw/zinc/41/91/27/823419127.db2.gz UNUSBKJMLQWDQX-OAQYLSRUSA-N 1 1 381.520 4.004 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(Br)cc2)cc(OC)c1OC ZINC000122803334 823415381 /nfs/dbraw/zinc/41/53/81/823415381.db2.gz AAOKIJNMWMIEJW-UHFFFAOYSA-N 1 1 380.282 4.107 20 0 GIADMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c12 ZINC000122807395 823415720 /nfs/dbraw/zinc/41/57/20/823415720.db2.gz CHRLRSRNUNMHRE-CRAIPNDOSA-N 1 1 392.503 4.061 20 0 GIADMO Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c12 ZINC000122807638 823415799 /nfs/dbraw/zinc/41/57/99/823415799.db2.gz CHRLRSRNUNMHRE-QAPCUYQASA-N 1 1 392.503 4.061 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)c2cncnc2-c2ccccc2)CC1)CC(C)C ZINC000572895461 823416161 /nfs/dbraw/zinc/41/61/61/823416161.db2.gz ZDHDMDVKBMDGJG-UHFFFAOYSA-N 1 1 394.563 4.364 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)CC[N@H+]1C ZINC000460525224 823419262 /nfs/dbraw/zinc/41/92/62/823419262.db2.gz IHJGHUJERQFULB-QGPMSJSTSA-N 1 1 399.501 4.445 20 0 GIADMO C[C@@](O)(C1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)C(F)(F)F ZINC000572903020 823417169 /nfs/dbraw/zinc/41/71/69/823417169.db2.gz JOQNJNHOOQTHIQ-OAHLLOKOSA-N 1 1 386.241 4.398 20 0 GIADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(CCC(F)(F)F)CC1CC1 ZINC000177274580 823417628 /nfs/dbraw/zinc/41/76/28/823417628.db2.gz GNXIUHIISVDNAL-GOSISDBHSA-N 1 1 383.458 4.025 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(CCC(F)(F)F)CC2CC2)cc1F ZINC000177279107 823419445 /nfs/dbraw/zinc/41/94/45/823419445.db2.gz KAJJOPSBPOTDNN-UHFFFAOYSA-N 1 1 398.404 4.194 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000410203302 823418867 /nfs/dbraw/zinc/41/88/67/823418867.db2.gz AWVQCLWVFCXKNF-HXUWFJFHSA-N 1 1 389.927 4.229 20 0 GIADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000177284964 823421339 /nfs/dbraw/zinc/42/13/39/823421339.db2.gz NARGBNYKFNISFB-KSFYIVLOSA-N 1 1 398.503 4.174 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000189483765 823427501 /nfs/dbraw/zinc/42/75/01/823427501.db2.gz REDGULXCQNZUBT-GOEBONIOSA-N 1 1 392.421 4.194 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cncc(C(F)(F)F)c1 ZINC000573010129 823433006 /nfs/dbraw/zinc/43/30/06/823433006.db2.gz LPZAQCXYMPKSDE-GOSISDBHSA-N 1 1 391.437 4.131 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc2c(c1)CCC2 ZINC000024664415 819861608 /nfs/dbraw/zinc/86/16/08/819861608.db2.gz NDVBVLOFJJSDMX-SFHVURJKSA-N 1 1 375.472 4.135 20 0 GIADMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc2c(c1)CCC2 ZINC000024664415 819861618 /nfs/dbraw/zinc/86/16/18/819861618.db2.gz NDVBVLOFJJSDMX-SFHVURJKSA-N 1 1 375.472 4.135 20 0 GIADMO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666201 819862196 /nfs/dbraw/zinc/86/21/96/819862196.db2.gz RTOXFYWBFCFYFO-DYESRHJHSA-N 1 1 375.472 4.027 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024667792 819862479 /nfs/dbraw/zinc/86/24/79/819862479.db2.gz GDTWAEGREBEENR-UONOGXRCSA-N 1 1 385.414 4.313 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024667792 819862495 /nfs/dbraw/zinc/86/24/95/819862495.db2.gz GDTWAEGREBEENR-UONOGXRCSA-N 1 1 385.414 4.313 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000573023352 823435146 /nfs/dbraw/zinc/43/51/46/823435146.db2.gz LSVZXPDLDWINCY-KRWDZBQOSA-N 1 1 382.508 4.181 20 0 GIADMO CCC[C@H](NC(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000024800656 819878524 /nfs/dbraw/zinc/87/85/24/819878524.db2.gz ZCRMTUSVVYKKPM-FQEVSTJZSA-N 1 1 384.520 4.102 20 0 GIADMO CCC[C@H](NC(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000024800656 819878535 /nfs/dbraw/zinc/87/85/35/819878535.db2.gz ZCRMTUSVVYKKPM-FQEVSTJZSA-N 1 1 384.520 4.102 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccccc1 ZINC000024820648 819881194 /nfs/dbraw/zinc/88/11/94/819881194.db2.gz CTIBFJIBDAQZGL-UHFFFAOYSA-N 1 1 381.520 4.019 20 0 GIADMO COc1ccc(-c2csc(NC(=O)C[NH+]3CCCCCCC3)n2)c(OC)c1 ZINC000024952006 819899440 /nfs/dbraw/zinc/89/94/40/819899440.db2.gz DGUOPPUUZKXHRQ-UHFFFAOYSA-N 1 1 389.521 4.032 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC000024964710 819901174 /nfs/dbraw/zinc/90/11/74/819901174.db2.gz IMBJZSYNMDVAES-ZIAGYGMSSA-N 1 1 376.859 4.341 20 0 GIADMO CC(=O)c1ccc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)s1 ZINC000573032856 823437169 /nfs/dbraw/zinc/43/71/69/823437169.db2.gz DLFXYVQYTZOAJD-UHFFFAOYSA-N 1 1 377.469 4.161 20 0 GIADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3oc4ccc(F)cc4c3C)CC2)cc1 ZINC000025081513 819922045 /nfs/dbraw/zinc/92/20/45/819922045.db2.gz IRAUFMAGUOIATN-UHFFFAOYSA-N 1 1 396.462 4.237 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3oc4ccc(F)cc4c3C)CC2)cc1 ZINC000025081513 819922052 /nfs/dbraw/zinc/92/20/52/819922052.db2.gz IRAUFMAGUOIATN-UHFFFAOYSA-N 1 1 396.462 4.237 20 0 GIADMO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000025083020 819923071 /nfs/dbraw/zinc/92/30/71/819923071.db2.gz VNYFSRVBJUJMFF-OTWHNJEPSA-N 1 1 396.531 4.186 20 0 GIADMO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000025083020 819923076 /nfs/dbraw/zinc/92/30/76/819923076.db2.gz VNYFSRVBJUJMFF-OTWHNJEPSA-N 1 1 396.531 4.186 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](c3ccccc3)C3CC3)cc2)C[C@@H](C)O1 ZINC000025087402 819924405 /nfs/dbraw/zinc/92/44/05/819924405.db2.gz OQWHGRXGTWVNNP-PMAPCBKXSA-N 1 1 378.516 4.177 20 0 GIADMO CC[C@H](NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000025087504 819924458 /nfs/dbraw/zinc/92/44/58/819924458.db2.gz SPQFVRBIJYLPFK-BSRJHKFKSA-N 1 1 396.531 4.186 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2)C[C@@H](C)O1 ZINC000025088056 819925036 /nfs/dbraw/zinc/92/50/36/819925036.db2.gz WWIIZOQZCVDRQL-PNCHPQGNSA-N 1 1 396.506 4.412 20 0 GIADMO CCCOc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000025092404 819926572 /nfs/dbraw/zinc/92/65/72/819926572.db2.gz RPVHXYLAQRIYEN-ROUUACIJSA-N 1 1 382.504 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ZINC000025541167 820000591 /nfs/dbraw/zinc/00/05/91/820000591.db2.gz YHLVKFGQXILHML-JOCHJYFZSA-N 1 1 380.507 4.056 20 0 GIADMO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000122989654 823444598 /nfs/dbraw/zinc/44/45/98/823444598.db2.gz PTRWHMRMLSMRIH-OAHLLOKOSA-N 1 1 397.441 4.054 20 0 GIADMO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000122989654 823444599 /nfs/dbraw/zinc/44/45/99/823444599.db2.gz PTRWHMRMLSMRIH-OAHLLOKOSA-N 1 1 397.441 4.054 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000573079207 823444950 /nfs/dbraw/zinc/44/49/50/823444950.db2.gz RMHGSUACGUXUJH-IBGZPJMESA-N 1 1 383.536 4.296 20 0 GIADMO O=c1cc(C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000025699154 820015856 /nfs/dbraw/zinc/01/58/56/820015856.db2.gz HLLLONYHEAXDJV-HXUWFJFHSA-N 1 1 399.878 4.428 20 0 GIADMO COCCc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189565388 823445271 /nfs/dbraw/zinc/44/52/71/823445271.db2.gz 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GIADMO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000026114363 820059460 /nfs/dbraw/zinc/05/94/60/820059460.db2.gz WOGDLUGMCVRPPV-MRXNPFEDSA-N 1 1 377.488 4.035 20 0 GIADMO O[C@H](c1ccccc1)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000026118842 820060936 /nfs/dbraw/zinc/06/09/36/820060936.db2.gz VCUPPIYDJIITPU-HXUWFJFHSA-N 1 1 383.879 4.336 20 0 GIADMO Fc1ccc(Br)cc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000060815057 823559358 /nfs/dbraw/zinc/55/93/58/823559358.db2.gz JFLKMKLXIZAEJX-UHFFFAOYSA-N 1 1 377.301 4.342 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000026168090 820066407 /nfs/dbraw/zinc/06/64/07/820066407.db2.gz WISSKHKPKRKEBB-AWEZNQCLSA-N 1 1 391.309 4.225 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000026168090 820066420 /nfs/dbraw/zinc/06/64/20/820066420.db2.gz WISSKHKPKRKEBB-AWEZNQCLSA-N 1 1 391.309 4.225 20 0 GIADMO CC[C@@H](Cc1ccccc1)N(CC)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000177381590 823449945 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4.141 20 0 GIADMO CCSc1cc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)ccn1 ZINC000189583315 823451487 /nfs/dbraw/zinc/45/14/87/823451487.db2.gz WJRDOEFDOLFJME-UHFFFAOYSA-N 1 1 384.593 4.014 20 0 GIADMO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026335590 820085336 /nfs/dbraw/zinc/08/53/36/820085336.db2.gz BKMIVLVAJHZCAZ-CQSZACIVSA-N 1 1 382.401 4.024 20 0 GIADMO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000026335590 820085344 /nfs/dbraw/zinc/08/53/44/820085344.db2.gz BKMIVLVAJHZCAZ-CQSZACIVSA-N 1 1 382.401 4.024 20 0 GIADMO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000026348075 820087295 /nfs/dbraw/zinc/08/72/95/820087295.db2.gz IASCAYJUTSGRIH-VXGBXAGGSA-N 1 1 394.302 4.031 20 0 GIADMO O=C(C[N@H+](Cc1cccc(Br)c1)C1CC1)Nc1ccccc1F ZINC000026446271 820097487 /nfs/dbraw/zinc/09/74/87/820097487.db2.gz BQNIRNWYBFVALU-UHFFFAOYSA-N 1 1 377.257 4.191 20 0 GIADMO O=C(C[N@@H+](Cc1cccc(Br)c1)C1CC1)Nc1ccccc1F ZINC000026446271 820097497 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396.506 4.042 20 0 GIADMO C[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccc2ccccc2c1 ZINC000026807351 820147063 /nfs/dbraw/zinc/14/70/63/820147063.db2.gz NCABJARYEDYMFN-UHFFFAOYSA-N 1 1 383.495 4.338 20 0 GIADMO C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccc2ccccc2c1 ZINC000026807351 820147066 /nfs/dbraw/zinc/14/70/66/820147066.db2.gz NCABJARYEDYMFN-UHFFFAOYSA-N 1 1 383.495 4.338 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCc2ccccc21 ZINC000026921334 820164276 /nfs/dbraw/zinc/16/42/76/820164276.db2.gz FJZKORDBHAKURC-LJQANCHMSA-N 1 1 377.513 4.413 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000026923890 820165195 /nfs/dbraw/zinc/16/51/95/820165195.db2.gz RLOIWVANCRIREX-UHFFFAOYSA-N 1 1 379.435 4.331 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000573164206 823458020 /nfs/dbraw/zinc/45/80/20/823458020.db2.gz KTWMUCKYZPDSKZ-HSZRJFAPSA-N 1 1 394.563 4.251 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCc2occc2C1 ZINC000460622068 823458176 /nfs/dbraw/zinc/45/81/76/823458176.db2.gz QJZJPDPAWKDXHK-OAQYLSRUSA-N 1 1 381.520 4.038 20 0 GIADMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)o1 ZINC000573169961 823459125 /nfs/dbraw/zinc/45/91/25/823459125.db2.gz ACZSHHUQJDVLEK-BEFAXECRSA-N 1 1 393.487 4.062 20 0 GIADMO COCc1ccc(C[NH2+][C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1 ZINC000027045906 820185270 /nfs/dbraw/zinc/18/52/70/820185270.db2.gz VIAVNNYQSPJFKP-HSZRJFAPSA-N 1 1 390.483 4.311 20 0 GIADMO CC(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460626413 823460091 /nfs/dbraw/zinc/46/00/91/823460091.db2.gz DPLRSBSWZQFMFF-WIYYLYMNSA-N 1 1 381.568 4.301 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccccc2C(C)C)c(C)c1 ZINC000123115859 823464832 /nfs/dbraw/zinc/46/48/32/823464832.db2.gz UZEOCYNHOSKBRS-FQEVSTJZSA-N 1 1 398.547 4.045 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H](O)COc2ccccc2C(C)C)c(C)c1 ZINC000123115859 823464837 /nfs/dbraw/zinc/46/48/37/823464837.db2.gz UZEOCYNHOSKBRS-FQEVSTJZSA-N 1 1 398.547 4.045 20 0 GIADMO CC[N@H+](Cn1nc([C@@H]2COc3ccccc3O2)n(C)c1=S)C1CCCCC1 ZINC000027197276 820209175 /nfs/dbraw/zinc/20/91/75/820209175.db2.gz RDOBHMZQLYRTMI-SFHVURJKSA-N 1 1 388.537 4.076 20 0 GIADMO CC[N@@H+](Cn1nc([C@@H]2COc3ccccc3O2)n(C)c1=S)C1CCCCC1 ZINC000027197276 820209183 /nfs/dbraw/zinc/20/91/83/820209183.db2.gz RDOBHMZQLYRTMI-SFHVURJKSA-N 1 1 388.537 4.076 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000027212882 820210417 /nfs/dbraw/zinc/21/04/17/820210417.db2.gz BJFRLOJNFCOGOQ-LSDHHAIUSA-N 1 1 384.451 4.278 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1F ZINC000027212882 820210424 /nfs/dbraw/zinc/21/04/24/820210424.db2.gz BJFRLOJNFCOGOQ-LSDHHAIUSA-N 1 1 384.451 4.278 20 0 GIADMO CSCc1c2ccccc2oc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027332774 820225788 /nfs/dbraw/zinc/22/57/88/820225788.db2.gz GKLLPHYMOCWAPS-KRWDZBQOSA-N 1 1 384.501 4.456 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1occc1COc1ccccc1 ZINC000027336030 820226506 /nfs/dbraw/zinc/22/65/06/820226506.db2.gz HYMGSDUZAUGUGL-LJQANCHMSA-N 1 1 380.444 4.019 20 0 GIADMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(C(F)(F)F)nc1 ZINC000027345767 820228651 /nfs/dbraw/zinc/22/86/51/820228651.db2.gz BPSIOTFLWPUWDH-INIZCTEOSA-N 1 1 397.828 4.321 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)Cc1ccc(Br)s1 ZINC000027360098 820231463 /nfs/dbraw/zinc/23/14/63/820231463.db2.gz KVQQBJKBPDOTNY-OAHLLOKOSA-N 1 1 397.338 4.368 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000027360098 820231470 /nfs/dbraw/zinc/23/14/70/820231470.db2.gz KVQQBJKBPDOTNY-OAHLLOKOSA-N 1 1 397.338 4.368 20 0 GIADMO Cc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1C ZINC000027388289 820237236 /nfs/dbraw/zinc/23/72/36/820237236.db2.gz YFBIHMRIOTTWJX-UHFFFAOYSA-N 1 1 392.543 4.309 20 0 GIADMO O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000027500219 820254094 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C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]2c2cccn2C)cc1 ZINC000410346664 823469058 /nfs/dbraw/zinc/46/90/58/823469058.db2.gz WDKRXLXQDSFLIM-CVDCTZTESA-N 1 1 394.563 4.446 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCc1ccccc1 ZINC000410348434 823470165 /nfs/dbraw/zinc/47/01/65/823470165.db2.gz JRTSULXQYJFMOE-HXUWFJFHSA-N 1 1 379.548 4.445 20 0 GIADMO Fc1ccc(-c2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)cc1F ZINC000573247109 823470227 /nfs/dbraw/zinc/47/02/27/823470227.db2.gz AFTDCFCOBDWJBW-UHFFFAOYSA-N 1 1 375.285 4.200 20 0 GIADMO COCc1ccccc1C[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000028370676 820330109 /nfs/dbraw/zinc/33/01/09/820330109.db2.gz RVUHSQBPBUDBFD-HSZRJFAPSA-N 1 1 390.483 4.311 20 0 GIADMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)co2)cc1 ZINC000058918831 823470327 /nfs/dbraw/zinc/47/03/27/823470327.db2.gz LWJAXHNHDKZJMF-LJQANCHMSA-N 1 1 391.519 4.348 20 0 GIADMO CCOc1ccc(CN(C)C(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)cc1 ZINC000028391860 820332129 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/nfs/dbraw/zinc/40/06/74/820400674.db2.gz XHXCYNWUTRYCOD-HNNXBMFYSA-N 1 1 380.410 4.352 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000058957494 823476077 /nfs/dbraw/zinc/47/60/77/823476077.db2.gz SYMYQKSFRHNZJM-UXONFWTHSA-N 1 1 385.817 4.329 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@]2(CC)CO)cs1 ZINC000189688625 823476178 /nfs/dbraw/zinc/47/61/78/823476178.db2.gz ZHUAOHNXJKRTAX-OAQYLSRUSA-N 1 1 387.549 4.127 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@]2(CC)CO)cs1 ZINC000189688625 823476183 /nfs/dbraw/zinc/47/61/83/823476183.db2.gz ZHUAOHNXJKRTAX-OAQYLSRUSA-N 1 1 387.549 4.127 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(OCC(C)C)CC2)cc1 ZINC000123188838 823476139 /nfs/dbraw/zinc/47/61/39/823476139.db2.gz CBZJHWQEMNFCGF-QGZVFWFLSA-N 1 1 384.524 4.088 20 0 GIADMO COCCO[C@@H]1CC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000189691064 823476735 /nfs/dbraw/zinc/47/67/35/823476735.db2.gz NLZSMRCWZZFUSV-MRXNPFEDSA-N 1 1 386.439 4.066 20 0 GIADMO COCCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000189691064 823476738 /nfs/dbraw/zinc/47/67/38/823476738.db2.gz NLZSMRCWZZFUSV-MRXNPFEDSA-N 1 1 386.439 4.066 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000058966055 823476809 /nfs/dbraw/zinc/47/68/09/823476809.db2.gz UDEFKNWCVASWCC-IBGZPJMESA-N 1 1 384.564 4.157 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000177528190 823483119 /nfs/dbraw/zinc/48/31/19/823483119.db2.gz SRXWYFLZDZMYBL-OAHLLOKOSA-N 1 1 382.346 4.262 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)C1 ZINC000177517042 823480549 /nfs/dbraw/zinc/48/05/49/823480549.db2.gz DZUBGLMTXDDTAY-QGZVFWFLSA-N 1 1 383.492 4.293 20 0 GIADMO COc1cc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc(OC)c1 ZINC000410377137 823480677 /nfs/dbraw/zinc/48/06/77/823480677.db2.gz ZYTNLVFKORGBSL-QGZVFWFLSA-N 1 1 397.519 4.257 20 0 GIADMO C[C@H](C1CC1)n1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000189714655 823480867 /nfs/dbraw/zinc/48/08/67/823480867.db2.gz VDDBZBBXASJFIL-OGWOLHLISA-N 1 1 387.553 4.120 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000573347602 823482520 /nfs/dbraw/zinc/48/25/20/823482520.db2.gz CCXXQJIVHRUWHC-OXJNMPFZSA-N 1 1 375.900 4.169 20 0 GIADMO CC(C)(Cc1ccc(Cl)cc1)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000573347602 823482521 /nfs/dbraw/zinc/48/25/21/823482521.db2.gz CCXXQJIVHRUWHC-OXJNMPFZSA-N 1 1 375.900 4.169 20 0 GIADMO CCCn1c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)nc2ccccc21 ZINC000573346955 823482733 /nfs/dbraw/zinc/48/27/33/823482733.db2.gz GTJWBKZFELPKRJ-UHFFFAOYSA-N 1 1 382.552 4.107 20 0 GIADMO Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000059023836 823483948 /nfs/dbraw/zinc/48/39/48/823483948.db2.gz MYODGFJKDISRCM-IBGZPJMESA-N 1 1 393.531 4.046 20 0 GIADMO Cc1ccc(-c2cc(C[N@@H+](C)Cc3ccccc3N3CCOCC3)on2)cc1 ZINC000029708502 820503142 /nfs/dbraw/zinc/50/31/42/820503142.db2.gz SBDRAAAPYBINJM-UHFFFAOYSA-N 1 1 377.488 4.119 20 0 GIADMO Cc1ccc(-c2cc(C[N@H+](C)Cc3ccccc3N3CCOCC3)on2)cc1 ZINC000029708502 820503148 /nfs/dbraw/zinc/50/31/48/820503148.db2.gz SBDRAAAPYBINJM-UHFFFAOYSA-N 1 1 377.488 4.119 20 0 GIADMO CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123245667 823484659 /nfs/dbraw/zinc/48/46/59/823484659.db2.gz YKLZHYQSOZORMD-KKSFZXQISA-N 1 1 377.492 4.429 20 0 GIADMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000123246024 823484691 /nfs/dbraw/zinc/48/46/91/823484691.db2.gz IOYSVWSLNYNLBW-CXAGYDPISA-N 1 1 389.414 4.271 20 0 GIADMO CCc1cccc(Oc2ccc(NC(=O)NC[C@H](c3ccco3)[NH+](C)C)cn2)c1 ZINC000059059176 823484837 /nfs/dbraw/zinc/48/48/37/823484837.db2.gz GFKMUDXWPHBEMW-LJQANCHMSA-N 1 1 394.475 4.454 20 0 GIADMO Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cn2)cc1 ZINC000059059256 823484880 /nfs/dbraw/zinc/48/48/80/823484880.db2.gz FQOFHBIMEPPEHE-SFHVURJKSA-N 1 1 380.448 4.200 20 0 GIADMO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1c(C)noc1C ZINC000123252156 823485239 /nfs/dbraw/zinc/48/52/39/823485239.db2.gz MQXZUBSMHNTQSM-FUHWJXTLSA-N 1 1 390.553 4.015 20 0 GIADMO O=c1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c2ccc(O)cc2o1 ZINC000029825411 820525898 /nfs/dbraw/zinc/52/58/98/820525898.db2.gz DCJMDWURIJJKLB-AWEZNQCLSA-N 1 1 376.412 4.019 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000029829948 820527687 /nfs/dbraw/zinc/52/76/87/820527687.db2.gz VQWSRBODLWIJKA-JKSUJKDBSA-N 1 1 381.451 4.482 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000029829948 820527693 /nfs/dbraw/zinc/52/76/93/820527693.db2.gz VQWSRBODLWIJKA-JKSUJKDBSA-N 1 1 381.451 4.482 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1c2ccccc2Oc2ccccc21 ZINC000029838691 820529349 /nfs/dbraw/zinc/52/93/49/820529349.db2.gz WUJGEYWNSHDMFH-UHFFFAOYSA-N 1 1 398.506 4.489 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(F)c(Cl)cc1Cl ZINC000029839945 820529509 /nfs/dbraw/zinc/52/95/09/820529509.db2.gz 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Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000059390516 823495022 /nfs/dbraw/zinc/49/50/22/823495022.db2.gz RGNOPZVJSIIOIV-HXUWFJFHSA-N 1 1 388.458 4.392 20 0 GIADMO CC[C@@](C)([NH2+]Cc1cc(Br)c(O)c(OC)c1)c1nc(C)cs1 ZINC000177560994 823491546 /nfs/dbraw/zinc/49/15/46/823491546.db2.gz FOMSUNVHVYEKQJ-MRXNPFEDSA-N 1 1 385.327 4.343 20 0 GIADMO CC[C@](C)([NH2+]Cc1cc(Br)c(O)c(OC)c1)c1nc(C)cs1 ZINC000177560975 823491571 /nfs/dbraw/zinc/49/15/71/823491571.db2.gz FOMSUNVHVYEKQJ-INIZCTEOSA-N 1 1 385.327 4.343 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000189778091 823492784 /nfs/dbraw/zinc/49/27/84/823492784.db2.gz REJRAGAXCBSMIA-AZUAARDMSA-N 1 1 376.460 4.217 20 0 GIADMO CCOc1cc(C[NH2+][C@@H](COC)c2ccc(C)o2)cc(Br)c1OC ZINC000177568983 823493173 /nfs/dbraw/zinc/49/31/73/823493173.db2.gz PEAKXZSKJIZKBI-HNNXBMFYSA-N 1 1 398.297 4.235 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(OC(F)F)cc1 ZINC000123303703 823493364 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Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](CC2CCC2)c2ccccc2)cn1 ZINC000180652196 821383409 /nfs/dbraw/zinc/38/34/09/821383409.db2.gz JVQKPBQJLICZSL-OAQYLSRUSA-N 1 1 389.503 4.306 20 0 GIADMO COc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c(OC)c1OC ZINC000180658292 821385771 /nfs/dbraw/zinc/38/57/71/821385771.db2.gz BUYHBEMJWAOMHF-UHFFFAOYSA-N 1 1 378.472 4.483 20 0 GIADMO COc1ccccc1[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000180695363 821399590 /nfs/dbraw/zinc/39/95/90/821399590.db2.gz OCYIITGMVFIVDS-VWLOTQADSA-N 1 1 387.527 4.434 20 0 GIADMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000180697683 821401275 /nfs/dbraw/zinc/40/12/75/821401275.db2.gz HTPMTOQDUORQEN-KRWDZBQOSA-N 1 1 385.508 4.069 20 0 GIADMO Clc1ccc(-c2noc(CCNC3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000180707713 821408389 /nfs/dbraw/zinc/40/83/89/821408389.db2.gz YVCUQTQAKNVCBU-UHFFFAOYSA-N 1 1 388.943 4.319 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC[N@H+]1C ZINC000180716252 821414876 /nfs/dbraw/zinc/41/48/76/821414876.db2.gz KVVBRKKGASOYKL-JEBQAFNWSA-N 1 1 383.458 4.281 20 0 GIADMO C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)c1nc2c(s1)CCCC2 ZINC000180724823 821418903 /nfs/dbraw/zinc/41/89/03/821418903.db2.gz AEXXSHFLIOHZPX-WFASDCNBSA-N 1 1 375.925 4.131 20 0 GIADMO COCCCOCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000180725083 821418972 /nfs/dbraw/zinc/41/89/72/821418972.db2.gz HMNTZUDAYTZBDM-LBPRGKRZSA-N 1 1 388.295 4.089 20 0 GIADMO COCCCOCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000180725083 821418974 /nfs/dbraw/zinc/41/89/74/821418974.db2.gz HMNTZUDAYTZBDM-LBPRGKRZSA-N 1 1 388.295 4.089 20 0 GIADMO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)c(Br)c1 ZINC000180740466 821428290 /nfs/dbraw/zinc/42/82/90/821428290.db2.gz FDHZGINTGCKTQK-HNNXBMFYSA-N 1 1 399.348 4.274 20 0 GIADMO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644379 821435947 /nfs/dbraw/zinc/43/59/47/821435947.db2.gz CUQVMTXMRIVRAN-KDOFPFPSSA-N 1 1 392.421 4.166 20 0 GIADMO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043644379 821435950 /nfs/dbraw/zinc/43/59/50/821435950.db2.gz CUQVMTXMRIVRAN-KDOFPFPSSA-N 1 1 392.421 4.166 20 0 GIADMO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000043735288 821449464 /nfs/dbraw/zinc/44/94/64/821449464.db2.gz RVAKEMPIWATLFB-DOTOQJQBSA-N 1 1 376.884 4.044 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCCSc3ccccc3)cc2)C[C@@H](C)O1 ZINC000043781746 821457753 /nfs/dbraw/zinc/45/77/53/821457753.db2.gz ANVWQYQBDJGAHJ-RTBURBONSA-N 1 1 398.572 4.208 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)Nc1ccc(F)cc1Nc1ccccc1F ZINC000180888961 821516392 /nfs/dbraw/zinc/51/63/92/821516392.db2.gz PRNRBBGZDTVATR-UHFFFAOYSA-N 1 1 389.446 4.149 20 0 GIADMO CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000180892797 821519989 /nfs/dbraw/zinc/51/99/89/821519989.db2.gz WSRVWTUTMIQATC-DZGCQCFKSA-N 1 1 390.553 4.007 20 0 GIADMO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC)c(C)c1 ZINC000180894583 821520613 /nfs/dbraw/zinc/52/06/13/821520613.db2.gz UCLSYWDLMJBNCP-YWZLYKJASA-N 1 1 395.952 4.159 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000180922761 821539858 /nfs/dbraw/zinc/53/98/58/821539858.db2.gz QJDZGFOJIFWQQK-YLJYHZDGSA-N 1 1 383.540 4.155 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnn(C(C)(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000180922802 821539871 /nfs/dbraw/zinc/53/98/71/821539871.db2.gz QJDZGFOJIFWQQK-XLIONFOSSA-N 1 1 383.540 4.155 20 0 GIADMO COc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1OC1CCCC1 ZINC000044335537 821572646 /nfs/dbraw/zinc/57/26/46/821572646.db2.gz QYZRALHYVMWZHZ-KRWDZBQOSA-N 1 1 387.480 4.034 20 0 GIADMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(-c2ccc(F)cc2)o1 ZINC000180987111 821576610 /nfs/dbraw/zinc/57/66/10/821576610.db2.gz AVWLOTBDOIDLEN-QFIPXVFZSA-N 1 1 394.490 4.332 20 0 GIADMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cnn1C(C)(C)C ZINC000044552881 821607576 /nfs/dbraw/zinc/60/75/76/821607576.db2.gz DSTBCRYUPPCHFW-KRWDZBQOSA-N 1 1 382.552 4.108 20 0 GIADMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cnn1C(C)(C)C ZINC000044552882 821607680 /nfs/dbraw/zinc/60/76/80/821607680.db2.gz DSTBCRYUPPCHFW-QGZVFWFLSA-N 1 1 382.552 4.108 20 0 GIADMO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Oc3ccccc3)cc2)no1 ZINC000044591174 821617232 /nfs/dbraw/zinc/61/72/32/821617232.db2.gz LUUNWDREMAYKCW-FDDCHVKYSA-N 1 1 394.471 4.352 20 0 GIADMO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Oc3ccccc3)cc2)no1 ZINC000044591174 821617237 /nfs/dbraw/zinc/61/72/37/821617237.db2.gz LUUNWDREMAYKCW-FDDCHVKYSA-N 1 1 394.471 4.352 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181108799 821638316 /nfs/dbraw/zinc/63/83/16/821638316.db2.gz LAJRVXCKEAPDBT-GOSISDBHSA-N 1 1 399.445 4.459 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cc3c(Cl)nc4ccccn43)CC2)n1 ZINC000181120499 821645602 /nfs/dbraw/zinc/64/56/02/821645602.db2.gz ODCGPGIWKSZJSS-UHFFFAOYSA-N 1 1 383.805 4.040 20 0 GIADMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)cc1OC(F)F)CCO2 ZINC000181127846 821649952 /nfs/dbraw/zinc/64/99/52/821649952.db2.gz OSHKTBXEVGMFEI-KRWDZBQOSA-N 1 1 379.403 4.309 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCC(=O)Nc4ccccc4C)C3)nc2c1 ZINC000181142118 821660340 /nfs/dbraw/zinc/66/03/40/821660340.db2.gz MPNMXWJYPGGTFE-SFHVURJKSA-N 1 1 376.504 4.388 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@H+](CCC(=O)Nc4ccccc4C)C3)[nH]c2c1 ZINC000181142118 821660345 /nfs/dbraw/zinc/66/03/45/821660345.db2.gz MPNMXWJYPGGTFE-SFHVURJKSA-N 1 1 376.504 4.388 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCC(=O)Nc4ccccc4C)C3)[nH]c2c1 ZINC000181142118 821660349 /nfs/dbraw/zinc/66/03/49/821660349.db2.gz MPNMXWJYPGGTFE-SFHVURJKSA-N 1 1 376.504 4.388 20 0 GIADMO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000181147826 821663657 /nfs/dbraw/zinc/66/36/57/821663657.db2.gz QTPGUCYWABRKAB-NFBKMPQASA-N 1 1 380.532 4.169 20 0 GIADMO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000181156776 821668685 /nfs/dbraw/zinc/66/86/85/821668685.db2.gz QLKRLONCCVHNNJ-CQSZACIVSA-N 1 1 382.439 4.314 20 0 GIADMO Cc1c(C(=O)Nc2ccc(COc3ccccc3)cc2)cnn1-c1cc[nH+]cc1 ZINC000181159676 821670801 /nfs/dbraw/zinc/67/08/01/821670801.db2.gz OMOHYHNLVFKJMA-UHFFFAOYSA-N 1 1 384.439 4.407 20 0 GIADMO CCOc1ccc(-c2noc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)n2)cc1 ZINC000044872898 821674840 /nfs/dbraw/zinc/67/48/40/821674840.db2.gz GVMJCWJVMMZUFC-JOCHJYFZSA-N 1 1 393.487 4.081 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3ccc(Cl)cc3)cc2)C1 ZINC000044877149 821675604 /nfs/dbraw/zinc/67/56/04/821675604.db2.gz GPHNJVIXPOGVAT-KRWDZBQOSA-N 1 1 386.923 4.267 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)COc1cccc(C#N)c1)C1CCCCC1 ZINC000044957533 821683385 /nfs/dbraw/zinc/68/33/85/821683385.db2.gz VOVWIRUMNCTEOY-UHFFFAOYSA-N 1 1 377.488 4.340 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)C2CCC(CO)CC2)on1 ZINC000181184509 821683381 /nfs/dbraw/zinc/68/33/81/821683381.db2.gz TUFREAQHYOWEDP-UHFFFAOYSA-N 1 1 380.488 4.486 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)n2)cc1F ZINC000181192248 821687690 /nfs/dbraw/zinc/68/76/90/821687690.db2.gz CNQPUORGEFCFTG-IFXJQAMLSA-N 1 1 385.414 4.272 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)co2)cc1 ZINC000181282154 821733071 /nfs/dbraw/zinc/73/30/71/821733071.db2.gz YTLLLCJUSOVNKB-HNNXBMFYSA-N 1 1 393.443 4.158 20 0 GIADMO COCCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cc1OC ZINC000181314725 821753464 /nfs/dbraw/zinc/75/34/64/821753464.db2.gz YCAILNNNFHQKNC-OAHLLOKOSA-N 1 1 399.516 4.090 20 0 GIADMO C[C@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ncc(Br)s1 ZINC000181341251 821772575 /nfs/dbraw/zinc/77/25/75/821772575.db2.gz ZCIZVOXBMUDMLF-ZETCQYMHSA-N 1 1 397.125 4.337 20 0 GIADMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000181385158 821799169 /nfs/dbraw/zinc/79/91/69/821799169.db2.gz KTAFTPYGOVENLI-CQSZACIVSA-N 1 1 390.505 4.074 20 0 GIADMO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000181393679 821803903 /nfs/dbraw/zinc/80/39/03/821803903.db2.gz SNJJEEOLXWPPOZ-BDJLRTHQSA-N 1 1 384.701 4.495 20 0 GIADMO C[C@H]([NH2+][C@H]1CCCc2ccc(Br)cc21)c1nnnn1-c1ccccc1 ZINC000181420291 821817507 /nfs/dbraw/zinc/81/75/07/821817507.db2.gz YYEBLOHVGJPMAC-UGSOOPFHSA-N 1 1 398.308 4.153 20 0 GIADMO COCCC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(Br)cc1 ZINC000181422642 821818721 /nfs/dbraw/zinc/81/87/21/821818721.db2.gz BUSVJZQZDVRBTN-ACJLOTCBSA-N 1 1 380.330 4.169 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)o1 ZINC000181431958 821823404 /nfs/dbraw/zinc/82/34/04/821823404.db2.gz KWSDICZBSPQIDC-HOTGVXAUSA-N 1 1 387.549 4.023 20 0 GIADMO COc1ccccc1[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1ccco1 ZINC000181431271 821823683 /nfs/dbraw/zinc/82/36/83/821823683.db2.gz WAEVQLJCCUALSK-SCLBCKFNSA-N 1 1 390.281 4.015 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000181437159 821826993 /nfs/dbraw/zinc/82/69/93/821826993.db2.gz AKCINUHYJNQDGG-APWZRJJASA-N 1 1 396.503 4.207 20 0 GIADMO COc1ccc(C[N@H+](Cc2nnc(C3CCC3)n2C)C2CCCCC2)cc1OC ZINC000181448706 821830880 /nfs/dbraw/zinc/83/08/80/821830880.db2.gz LTUPBHGCOCFZKX-UHFFFAOYSA-N 1 1 398.551 4.435 20 0 GIADMO COc1ccc(C[N@@H+](Cc2nnc(C3CCC3)n2C)C2CCCCC2)cc1OC ZINC000181448706 821830891 /nfs/dbraw/zinc/83/08/91/821830891.db2.gz LTUPBHGCOCFZKX-UHFFFAOYSA-N 1 1 398.551 4.435 20 0 GIADMO C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181449980 821831546 /nfs/dbraw/zinc/83/15/46/821831546.db2.gz HXDGCQQFXRPMRP-WBVHZDCISA-N 1 1 380.985 4.342 20 0 GIADMO C[C@H](NC(=O)CCCOc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181453730 821832327 /nfs/dbraw/zinc/83/23/27/821832327.db2.gz YSPMLYSHNNVNKM-DLBZAZTESA-N 1 1 378.944 4.268 20 0 GIADMO C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181454212 821833186 /nfs/dbraw/zinc/83/31/86/821833186.db2.gz RGQACYWPAABJLI-LSDHHAIUSA-N 1 1 389.590 4.183 20 0 GIADMO Nc1nc(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)nc2ccccc12 ZINC000181458107 821834967 /nfs/dbraw/zinc/83/49/67/821834967.db2.gz ARPXJTVCSPECMK-UHFFFAOYSA-N 1 1 398.510 4.186 20 0 GIADMO Nc1nc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)nc2ccccc12 ZINC000181458107 821834977 /nfs/dbraw/zinc/83/49/77/821834977.db2.gz ARPXJTVCSPECMK-UHFFFAOYSA-N 1 1 398.510 4.186 20 0 GIADMO C[C@@H](NC(=O)c1ccnc(OCc2ccccc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181460596 821836682 /nfs/dbraw/zinc/83/66/82/821836682.db2.gz BZDJSCOXMFJNBN-WIYYLYMNSA-N 1 1 393.531 4.043 20 0 GIADMO CCOc1c(Cl)cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181465289 821838705 /nfs/dbraw/zinc/83/87/05/821838705.db2.gz YSILJYOVRCGPFT-HUUCEWRRSA-N 1 1 394.943 4.130 20 0 GIADMO C[C@@H](NC(=O)CCc1cc(Br)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181471080 821841377 /nfs/dbraw/zinc/84/13/77/821841377.db2.gz MHRQDLBTZUNZCC-ZIAGYGMSSA-N 1 1 399.398 4.212 20 0 GIADMO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCc1ccncc1 ZINC000181474600 821842427 /nfs/dbraw/zinc/84/24/27/821842427.db2.gz XHPAYBXOAGMETD-QHCPKHFHSA-N 1 1 389.499 4.335 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)cc1Cn1cccn1 ZINC000181478248 821844083 /nfs/dbraw/zinc/84/40/83/821844083.db2.gz SSVFXVLBGNKJBK-KRWDZBQOSA-N 1 1 379.508 4.102 20 0 GIADMO Cc1nc(CCC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)oc1-c1ccccc1 ZINC000181487537 821848434 /nfs/dbraw/zinc/84/84/34/821848434.db2.gz GSLPZUODMBFCKG-PXNSSMCTSA-N 1 1 395.547 4.352 20 0 GIADMO Cc1cccc(C[NH+](CCC(=O)OCc2ccccc2)Cc2cccc(C)n2)n1 ZINC000181489989 821849822 /nfs/dbraw/zinc/84/98/22/821849822.db2.gz POPJTKANHRGCGP-UHFFFAOYSA-N 1 1 389.499 4.229 20 0 GIADMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+](C)CCc1ccncc1)c1ccccc1 ZINC000181494062 821852139 /nfs/dbraw/zinc/85/21/39/821852139.db2.gz MHIKOUMDCTXZRH-UKILVPOCSA-N 1 1 390.527 4.031 20 0 GIADMO C[N@H+](CCc1ccncc1)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000181496594 821853596 /nfs/dbraw/zinc/85/35/96/821853596.db2.gz KPIBSMCTSQOTCE-HSZRJFAPSA-N 1 1 393.918 4.115 20 0 GIADMO C[N@@H+](CCc1ccncc1)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000181496594 821853606 /nfs/dbraw/zinc/85/36/06/821853606.db2.gz KPIBSMCTSQOTCE-HSZRJFAPSA-N 1 1 393.918 4.115 20 0 GIADMO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cccnc1Cl ZINC000181497907 821854271 /nfs/dbraw/zinc/85/42/71/821854271.db2.gz VTNVNQGUOSVCKO-UHFFFAOYSA-N 1 1 398.721 4.436 20 0 GIADMO CCCSCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181497857 821854450 /nfs/dbraw/zinc/85/44/50/821854450.db2.gz AKQLCLPSJWOVDT-UHFFFAOYSA-N 1 1 375.365 4.217 20 0 GIADMO COCCC1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC1 ZINC000181497450 821854565 /nfs/dbraw/zinc/85/45/65/821854565.db2.gz BXNLXUBLJLFDMY-UHFFFAOYSA-N 1 1 399.362 4.281 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181503601 821856570 /nfs/dbraw/zinc/85/65/70/821856570.db2.gz TWTMLNCGDLUFJF-HKUYNNGSSA-N 1 1 379.548 4.163 20 0 GIADMO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H](C)[C@H](C)c3ccccc3)s2)cc1 ZINC000181522921 821866086 /nfs/dbraw/zinc/86/60/86/821866086.db2.gz CQQAZGKCWMQGBI-IRXDYDNUSA-N 1 1 394.544 4.058 20 0 GIADMO C[C@@H](NC(=O)[C@H](C)CSc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181531524 821869031 /nfs/dbraw/zinc/86/90/31/821869031.db2.gz KXPVLODCWDZPDX-BRWVUGGUSA-N 1 1 378.557 4.323 20 0 GIADMO C[C@H](NC(=O)CSCc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181533245 821870572 /nfs/dbraw/zinc/87/05/72/821870572.db2.gz BBOIOMMTBUHDES-DOTOQJQBSA-N 1 1 380.985 4.342 20 0 GIADMO Cc1cc2cc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)oc2c(Br)c1 ZINC000181538295 821872444 /nfs/dbraw/zinc/87/24/44/821872444.db2.gz WLNTVIXIURENIP-OCCSQVGLSA-N 1 1 379.298 4.058 20 0 GIADMO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc(Br)ccc1F ZINC000181580752 821887513 /nfs/dbraw/zinc/88/75/13/821887513.db2.gz LIYVTKROKQBGRZ-QMMMGPOBSA-N 1 1 380.183 4.191 20 0 GIADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000181610250 821902318 /nfs/dbraw/zinc/90/23/18/821902318.db2.gz QOSVFEMXNFHFLY-JOCHJYFZSA-N 1 1 381.520 4.207 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2Br)cc1OC ZINC000181687044 821944459 /nfs/dbraw/zinc/94/44/59/821944459.db2.gz FUTUVEZDJFAFKA-NSHDSACASA-N 1 1 396.256 4.234 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000181739538 821970788 /nfs/dbraw/zinc/97/07/88/821970788.db2.gz YIHNEUHBNYETNI-OAQYLSRUSA-N 1 1 398.547 4.100 20 0 GIADMO CCCCC[C@@H]([NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C)c1ccccc1 ZINC000181750299 821976189 /nfs/dbraw/zinc/97/61/89/821976189.db2.gz LNUCPQVRXAXEED-MRXNPFEDSA-N 1 1 395.532 4.054 20 0 GIADMO CCC[C@@H]([NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)c1ccccc1 ZINC000181763281 821981876 /nfs/dbraw/zinc/98/18/76/821981876.db2.gz QWHRTXDDCSRDJK-GOSISDBHSA-N 1 1 382.533 4.152 20 0 GIADMO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H](CC(C)C)c3ccccc3)cs2)c1C ZINC000181789803 821993393 /nfs/dbraw/zinc/99/33/93/821993393.db2.gz SURPHFJABWCJMR-IBGZPJMESA-N 1 1 396.560 4.398 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccccn1 ZINC000181796248 821995845 /nfs/dbraw/zinc/99/58/45/821995845.db2.gz QONUXZYOYPOJQE-KRWDZBQOSA-N 1 1 389.503 4.214 20 0 GIADMO CC(C)(C)C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000181800094 821997572 /nfs/dbraw/zinc/99/75/72/821997572.db2.gz BGGVTIOQXNEDTB-KBMXLJTQSA-N 1 1 375.479 4.012 20 0 GIADMO C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(Oc2ccccc2)cc1 ZINC000181808631 822001246 /nfs/dbraw/zinc/00/12/46/822001246.db2.gz RMHWCWVVMNSPQV-HNNXBMFYSA-N 1 1 377.469 4.399 20 0 GIADMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)C)c1ccccc1 ZINC000181818282 822005021 /nfs/dbraw/zinc/00/50/21/822005021.db2.gz AOOUUWPFLCRZER-OAQYLSRUSA-N 1 1 382.504 4.421 20 0 GIADMO CCC[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cccc(C(F)(F)F)c1 ZINC000181848591 822016371 /nfs/dbraw/zinc/01/63/71/822016371.db2.gz SYVCEBYWFHWMLV-OAHLLOKOSA-N 1 1 381.423 4.406 20 0 GIADMO COc1cccc2cc([C@H](C)NCc3ccccc3C[NH+]3CCC(O)CC3)oc21 ZINC000181861234 822019084 /nfs/dbraw/zinc/01/90/84/822019084.db2.gz QDSFIOHBXREZEI-KRWDZBQOSA-N 1 1 394.515 4.249 20 0 GIADMO CCC[C@@H]([NH2+]Cc1nn2c(nc(C)cc2=O)s1)c1cccc(C(F)(F)F)c1 ZINC000181866281 822020951 /nfs/dbraw/zinc/02/09/51/822020951.db2.gz MVQMWNIQRRPHCW-CQSZACIVSA-N 1 1 396.438 4.109 20 0 GIADMO C[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)c1ccc(-n2cncn2)cc1 ZINC000181873130 822022340 /nfs/dbraw/zinc/02/23/40/822022340.db2.gz HATHSQSQUVNUKK-INIZCTEOSA-N 1 1 375.501 4.165 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181981904 822052333 /nfs/dbraw/zinc/05/23/33/822052333.db2.gz OJFGXEDQFRXRRO-AWEZNQCLSA-N 1 1 398.457 4.365 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000181994838 822056680 /nfs/dbraw/zinc/05/66/80/822056680.db2.gz BIINCDICUMNJJT-UWVGGRQHSA-N 1 1 383.782 4.204 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000181994897 822056813 /nfs/dbraw/zinc/05/68/13/822056813.db2.gz BIINCDICUMNJJT-NXEZZACHSA-N 1 1 383.782 4.204 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3nc(Cc4ccccc4)cs3)CC2)[nH+]c1 ZINC000182011339 822061705 /nfs/dbraw/zinc/06/17/05/822061705.db2.gz BYIJDOVUDFKRAU-UHFFFAOYSA-N 1 1 392.528 4.292 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@H]3CCCOc4cc(Cl)ccc43)CC2)[nH+]c1 ZINC000182021475 822065531 /nfs/dbraw/zinc/06/55/31/822065531.db2.gz BVGZZTNYJZBRMR-IBGZPJMESA-N 1 1 399.922 4.290 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NC[C@@]3(C)CCCc4ccccc43)CC2)[nH+]c1 ZINC000182033948 822068984 /nfs/dbraw/zinc/06/89/84/822068984.db2.gz RVWQMJNHQSGDLL-XMMPIXPASA-N 1 1 377.532 4.017 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c(Br)c1 ZINC000182039499 822070514 /nfs/dbraw/zinc/07/05/14/822070514.db2.gz LGWTZGAKNYWUSP-CYBMUJFWSA-N 1 1 392.293 4.470 20 0 GIADMO CCC[C@@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000182058264 822077269 /nfs/dbraw/zinc/07/72/69/822077269.db2.gz TZHLOGGUOQDNFS-MOPGFXCFSA-N 1 1 399.560 4.121 20 0 GIADMO CCC[C@@H]1CN(C(=O)c2cnc([C@@H]3CCCO3)s2)CC[N@H+]1Cc1ccccc1 ZINC000182058264 822077282 /nfs/dbraw/zinc/07/72/82/822077282.db2.gz TZHLOGGUOQDNFS-MOPGFXCFSA-N 1 1 399.560 4.121 20 0 GIADMO Brc1ccccc1CCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000182219704 822153114 /nfs/dbraw/zinc/15/31/14/822153114.db2.gz LPHHZVGGMZQZLO-MRXNPFEDSA-N 1 1 389.341 4.188 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccc(C)n3)co2)cc1 ZINC000182237241 822160682 /nfs/dbraw/zinc/16/06/82/822160682.db2.gz RGZROPAXYUSLRV-HXUWFJFHSA-N 1 1 377.444 4.169 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccc(C)n3)co2)cc1 ZINC000182237241 822160685 /nfs/dbraw/zinc/16/06/85/822160685.db2.gz RGZROPAXYUSLRV-HXUWFJFHSA-N 1 1 377.444 4.169 20 0 GIADMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000182242285 822163442 /nfs/dbraw/zinc/16/34/42/822163442.db2.gz FGSAQKCSEHMYLQ-INIZCTEOSA-N 1 1 390.524 4.196 20 0 GIADMO COC[C@@H]([NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)c1ccc(F)c(F)c1 ZINC000182243985 822164844 /nfs/dbraw/zinc/16/48/44/822164844.db2.gz DMBOMEWQHQPNQC-JOCHJYFZSA-N 1 1 385.458 4.304 20 0 GIADMO C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nccn1C ZINC000182244438 822164970 /nfs/dbraw/zinc/16/49/70/822164970.db2.gz SEPMKDLEHWLGRP-INIZCTEOSA-N 1 1 375.451 4.263 20 0 GIADMO Cc1ccc([C@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2)cc1 ZINC000182258310 822173235 /nfs/dbraw/zinc/17/32/35/822173235.db2.gz NUEUEVOYZNSDSB-IZZNHLLZSA-N 1 1 386.539 4.441 20 0 GIADMO Cc1ccc([C@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2)cc1 ZINC000182258310 822173241 /nfs/dbraw/zinc/17/32/41/822173241.db2.gz NUEUEVOYZNSDSB-IZZNHLLZSA-N 1 1 386.539 4.441 20 0 GIADMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2Br)cc1 ZINC000182335943 822206415 /nfs/dbraw/zinc/20/64/15/822206415.db2.gz KRDBOXZCWAWUHT-ZDUSSCGKSA-N 1 1 382.323 4.094 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1)[C@H]1CCCO1 ZINC000182344374 822208886 /nfs/dbraw/zinc/20/88/86/822208886.db2.gz OYDSISBGQGFAPZ-UYAOXDASSA-N 1 1 387.549 4.492 20 0 GIADMO C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182379758 822221663 /nfs/dbraw/zinc/22/16/63/822221663.db2.gz SELAMVRPMVXEBQ-GDBMZVCRSA-N 1 1 383.458 4.158 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182379780 822222265 /nfs/dbraw/zinc/22/22/65/822222265.db2.gz SELAMVRPMVXEBQ-HOCLYGCPSA-N 1 1 383.458 4.158 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000182408304 822232795 /nfs/dbraw/zinc/23/27/95/822232795.db2.gz IQYQAOOGEKHYFL-PXNSSMCTSA-N 1 1 389.588 4.308 20 0 GIADMO COc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1OC1CCCC1 ZINC000182460987 822251843 /nfs/dbraw/zinc/25/18/43/822251843.db2.gz RVQWVTVKWPQHOM-UHFFFAOYSA-N 1 1 386.536 4.107 20 0 GIADMO COCc1ccsc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000182476784 822257585 /nfs/dbraw/zinc/25/75/85/822257585.db2.gz HAVWVQTWAQRPSH-QUCCMNQESA-N 1 1 384.545 4.021 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 ZINC000177962823 822259069 /nfs/dbraw/zinc/25/90/69/822259069.db2.gz JETPICLFNMENEY-SFHVURJKSA-N 1 1 398.526 4.128 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)cc1Cn1cccn1 ZINC000177971358 822263379 /nfs/dbraw/zinc/26/33/79/822263379.db2.gz VYAHCIMJSUAXGC-KRWDZBQOSA-N 1 1 388.471 4.446 20 0 GIADMO Cc1c(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)oc2c1C(=O)CCC2 ZINC000177971415 822263394 /nfs/dbraw/zinc/26/33/94/822263394.db2.gz TYGRSUAOYVOIGO-INIZCTEOSA-N 1 1 386.536 4.224 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1c(C)noc1C ZINC000182499701 822269901 /nfs/dbraw/zinc/26/99/01/822269901.db2.gz MHYIGYVODPXPFV-KRWDZBQOSA-N 1 1 399.491 4.402 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000177995589 822275668 /nfs/dbraw/zinc/27/56/68/822275668.db2.gz CSVCJZQXQIUIGZ-ZWKOTPCHSA-N 1 1 381.442 4.314 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000177995589 822275679 /nfs/dbraw/zinc/27/56/79/822275679.db2.gz CSVCJZQXQIUIGZ-ZWKOTPCHSA-N 1 1 381.442 4.314 20 0 GIADMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182513314 822277051 /nfs/dbraw/zinc/27/70/51/822277051.db2.gz LOAPHIYBQVUCSE-AWEZNQCLSA-N 1 1 375.435 4.051 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000178008085 822279476 /nfs/dbraw/zinc/27/94/76/822279476.db2.gz DIXSIHWGZIKKHW-INIZCTEOSA-N 1 1 378.476 4.300 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)C1 ZINC000178019120 822284415 /nfs/dbraw/zinc/28/44/15/822284415.db2.gz ONAGZADHPWRKRJ-FQEVSTJZSA-N 1 1 380.536 4.129 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000178035942 822292645 /nfs/dbraw/zinc/29/26/45/822292645.db2.gz LGKBGNXVGXCXCY-GFCCVEGCSA-N 1 1 393.837 4.087 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1)c1ccccc1 ZINC000178050793 822300851 /nfs/dbraw/zinc/30/08/51/822300851.db2.gz MLDKPSSXCGAECL-CQSZACIVSA-N 1 1 393.350 4.153 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1)c1ccccc1 ZINC000178050793 822300863 /nfs/dbraw/zinc/30/08/63/822300863.db2.gz MLDKPSSXCGAECL-CQSZACIVSA-N 1 1 393.350 4.153 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000182563956 822304531 /nfs/dbraw/zinc/30/45/31/822304531.db2.gz RGPHTZBHWFPYLW-SFHVURJKSA-N 1 1 399.560 4.308 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000182565611 822305573 /nfs/dbraw/zinc/30/55/73/822305573.db2.gz FTVOXUYHBWZLPN-ROUUACIJSA-N 1 1 382.508 4.460 20 0 GIADMO C[N@H+](CC(=O)NCc1cccnc1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000178068388 822308331 /nfs/dbraw/zinc/30/83/31/822308331.db2.gz PMVMWCIITFONNW-QFIPXVFZSA-N 1 1 397.881 4.212 20 0 GIADMO C[N@@H+](CC(=O)NCc1cccnc1)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000178068388 822308340 /nfs/dbraw/zinc/30/83/40/822308340.db2.gz PMVMWCIITFONNW-QFIPXVFZSA-N 1 1 397.881 4.212 20 0 GIADMO COC(=O)c1cc(C[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)oc1C ZINC000182618645 822324972 /nfs/dbraw/zinc/32/49/72/822324972.db2.gz KQAVRMQETWNPGH-UHFFFAOYSA-N 1 1 396.418 4.056 20 0 GIADMO CCN(CC)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1)c1ccccc1 ZINC000178131462 822327812 /nfs/dbraw/zinc/32/78/12/822327812.db2.gz BQGFENKYNXCFSR-MBSDFSHPSA-N 1 1 390.531 4.441 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000178131507 822328108 /nfs/dbraw/zinc/32/81/08/822328108.db2.gz CQIJGKBNAALFMH-FDDCHVKYSA-N 1 1 393.531 4.074 20 0 GIADMO C[C@H](NC(=O)NCCCc1c[nH]c2ccccc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182628049 822329548 /nfs/dbraw/zinc/32/95/48/822329548.db2.gz WFRDPXDUVFKVGT-PKOBYXMFSA-N 1 1 382.552 4.053 20 0 GIADMO Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(C(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000178186823 822346486 /nfs/dbraw/zinc/34/64/86/822346486.db2.gz QIMKKHWSDZIYFE-FCHUYYIVSA-N 1 1 392.547 4.106 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000178238578 822357609 /nfs/dbraw/zinc/35/76/09/822357609.db2.gz JPOLKXOCCQMGCE-HNNXBMFYSA-N 1 1 382.435 4.208 20 0 GIADMO Cc1cc(-c2noc(C[NH+]3CCC(OCc4ccccc4)CC3)n2)ccc1F ZINC000178249813 822358607 /nfs/dbraw/zinc/35/86/07/822358607.db2.gz DZUNIDBMLVRZEM-UHFFFAOYSA-N 1 1 381.451 4.365 20 0 GIADMO Cc1ccccc1[C@@H](C)CC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178252011 822358869 /nfs/dbraw/zinc/35/88/69/822358869.db2.gz JCEXXMUONHRZOS-PCCBWWKXSA-N 1 1 386.580 4.227 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)nnn1-c1ccc(Cl)cc1 ZINC000178267953 822361062 /nfs/dbraw/zinc/36/10/62/822361062.db2.gz IICSCEVCXJPPEE-KBPBESRZSA-N 1 1 398.894 4.412 20 0 GIADMO COCCCN1CCC([NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182770923 822365172 /nfs/dbraw/zinc/36/51/72/822365172.db2.gz RQLGSAMVFBLOPL-IBGZPJMESA-N 1 1 384.536 4.469 20 0 GIADMO CCN(c1nnc([C@@H]2CC[C@H](C)O2)n1CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000453457378 822367588 /nfs/dbraw/zinc/36/75/88/822367588.db2.gz ATWUCXXAOANMLQ-ZSXPUABSSA-N 1 1 397.567 4.200 20 0 GIADMO C[C@@H](CNC(=O)Nc1c(F)cc(Cl)cc1F)[N@@H+]1CCc2sccc2C1 ZINC000182790121 822367795 /nfs/dbraw/zinc/36/77/95/822367795.db2.gz ZBJLWMAFOVMELI-JTQLQIEISA-N 1 1 385.867 4.248 20 0 GIADMO C[C@@H](CNC(=O)Nc1c(F)cc(Cl)cc1F)[N@H+]1CCc2sccc2C1 ZINC000182790121 822367801 /nfs/dbraw/zinc/36/78/01/822367801.db2.gz ZBJLWMAFOVMELI-JTQLQIEISA-N 1 1 385.867 4.248 20 0 GIADMO CCOc1ccc([C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)C)cc1OCC ZINC000182806690 822370992 /nfs/dbraw/zinc/37/09/92/822370992.db2.gz MFBJHXMEDLUASR-OAQYLSRUSA-N 1 1 387.524 4.317 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182836041 822375439 /nfs/dbraw/zinc/37/54/39/822375439.db2.gz WDOVFNIGEWAHPY-CVEARBPZSA-N 1 1 394.441 4.183 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182836041 822375443 /nfs/dbraw/zinc/37/54/43/822375443.db2.gz WDOVFNIGEWAHPY-CVEARBPZSA-N 1 1 394.441 4.183 20 0 GIADMO Cc1nc(-c2ccc(CNC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)o2)cs1 ZINC000045275130 822375584 /nfs/dbraw/zinc/37/55/84/822375584.db2.gz OLKYNMTZQWERQP-HNNXBMFYSA-N 1 1 390.553 4.165 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000178401872 822375600 /nfs/dbraw/zinc/37/56/00/822375600.db2.gz YKAXKEIXAPDJBC-LBPRGKRZSA-N 1 1 399.413 4.193 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000178401872 822375605 /nfs/dbraw/zinc/37/56/05/822375605.db2.gz YKAXKEIXAPDJBC-LBPRGKRZSA-N 1 1 399.413 4.193 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)cc1O ZINC000178411126 822376836 /nfs/dbraw/zinc/37/68/36/822376836.db2.gz FPCIVDCNMNLELR-SNVBAGLBSA-N 1 1 389.345 4.454 20 0 GIADMO C[C@@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182847704 822378069 /nfs/dbraw/zinc/37/80/69/822378069.db2.gz TURWMVOWFIAKCQ-CABCVRRESA-N 1 1 379.495 4.152 20 0 GIADMO O=C(Nc1ccc(SC(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178426410 822378078 /nfs/dbraw/zinc/37/80/78/822378078.db2.gz PURKQXGAAKARTI-SUMWQHHRSA-N 1 1 381.492 4.482 20 0 GIADMO O=C(Nc1ccccc1OC1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178442748 822379451 /nfs/dbraw/zinc/37/94/51/822379451.db2.gz IJLFNUVHSHNVGC-LAUBAEHRSA-N 1 1 383.536 4.489 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(F)cc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182865733 822381847 /nfs/dbraw/zinc/38/18/47/822381847.db2.gz JXPGOJPVPJQVDD-STQMWFEESA-N 1 1 398.320 4.363 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182869875 822382793 /nfs/dbraw/zinc/38/27/93/822382793.db2.gz GACOIUYSLWOFBT-GPMSIDNRSA-N 1 1 375.582 4.420 20 0 GIADMO Cc1cc(Br)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)s1 ZINC000453568184 822385738 /nfs/dbraw/zinc/38/57/38/822385738.db2.gz WWLXVWNDXSJEQZ-ZDUSSCGKSA-N 1 1 391.338 4.241 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182887734 822386324 /nfs/dbraw/zinc/38/63/24/822386324.db2.gz SCTAUVUDTZGSNB-OLZOCXBDSA-N 1 1 398.320 4.363 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)cs2)cc1 ZINC000178520648 822387471 /nfs/dbraw/zinc/38/74/71/822387471.db2.gz WJCOCVAPLRBCEF-MRXNPFEDSA-N 1 1 395.532 4.125 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)cs2)cc1 ZINC000178520648 822387474 /nfs/dbraw/zinc/38/74/74/822387474.db2.gz WJCOCVAPLRBCEF-MRXNPFEDSA-N 1 1 395.532 4.125 20 0 GIADMO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000178523692 822387682 /nfs/dbraw/zinc/38/76/82/822387682.db2.gz MEAVOVQCHBTKFW-HSZRJFAPSA-N 1 1 397.563 4.100 20 0 GIADMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](Cc2cc3ccccc3o2)C(C)C)cc1 ZINC000178531496 822388455 /nfs/dbraw/zinc/38/84/55/822388455.db2.gz HJRVMAADILQMAO-FQEVSTJZSA-N 1 1 396.487 4.042 20 0 GIADMO O=C(c1ccc(C(F)(F)F)nc1Cl)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000178533507 822389051 /nfs/dbraw/zinc/38/90/51/822389051.db2.gz GLWQWOBGIXNMPD-UHFFFAOYSA-N 1 1 397.828 4.102 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182902533 822389434 /nfs/dbraw/zinc/38/94/34/822389434.db2.gz BTWAYDTZTWOMQC-OALUTQOASA-N 1 1 384.568 4.451 20 0 GIADMO COc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000178543181 822390112 /nfs/dbraw/zinc/39/01/12/822390112.db2.gz LLLNXJXRMNFSEO-UGKGYDQZSA-N 1 1 379.504 4.214 20 0 GIADMO COc1ccccc1CN(C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC1 ZINC000182924913 822393789 /nfs/dbraw/zinc/39/37/89/822393789.db2.gz GDWWDPQDVFCMDI-MSOLQXFVSA-N 1 1 385.552 4.022 20 0 GIADMO COc1ccccc1[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccco1 ZINC000178584071 822394272 /nfs/dbraw/zinc/39/42/72/822394272.db2.gz CBICKFONDYMEHC-JOCHJYFZSA-N 1 1 397.519 4.038 20 0 GIADMO COc1cccc(C2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC000182927686 822394459 /nfs/dbraw/zinc/39/44/59/822394459.db2.gz NYKSIDAEUYBWSF-GHTZIAJQSA-N 1 1 399.579 4.237 20 0 GIADMO c1c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000178590802 822394454 /nfs/dbraw/zinc/39/44/54/822394454.db2.gz WLQPGLDDTIOXDN-FCHUYYIVSA-N 1 1 391.540 4.246 20 0 GIADMO c1c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000178590802 822394460 /nfs/dbraw/zinc/39/44/60/822394460.db2.gz WLQPGLDDTIOXDN-FCHUYYIVSA-N 1 1 391.540 4.246 20 0 GIADMO COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182933625 822395486 /nfs/dbraw/zinc/39/54/86/822395486.db2.gz WHNSNYFYWIWGHO-KGLIPLIRSA-N 1 1 397.466 4.071 20 0 GIADMO COc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000182949293 822398309 /nfs/dbraw/zinc/39/83/09/822398309.db2.gz OUQHFXQAVWLTQM-UONOGXRCSA-N 1 1 395.931 4.132 20 0 GIADMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(C)n1Cc1ccco1 ZINC000178669142 822401351 /nfs/dbraw/zinc/40/13/51/822401351.db2.gz KJWKQTKJHSAEHG-JOCHJYFZSA-N 1 1 377.488 4.469 20 0 GIADMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c(C)n1Cc1ccco1 ZINC000178669142 822401354 /nfs/dbraw/zinc/40/13/54/822401354.db2.gz KJWKQTKJHSAEHG-JOCHJYFZSA-N 1 1 377.488 4.469 20 0 GIADMO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccc(-n4ccnc4C)cc3)n2)cc1 ZINC000178712080 822404891 /nfs/dbraw/zinc/40/48/91/822404891.db2.gz KQKAOUPEKDADME-QGZVFWFLSA-N 1 1 387.487 4.226 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000178733762 822406143 /nfs/dbraw/zinc/40/61/43/822406143.db2.gz CJMBCDXMJVPCNO-DLBZAZTESA-N 1 1 388.581 4.367 20 0 GIADMO C[C@H](c1nn(CN(C)[C@@H](C)C(C)(C)C)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000045722354 822408244 /nfs/dbraw/zinc/40/82/44/822408244.db2.gz IEZPBYKCVFXBIE-CABCVRRESA-N 1 1 393.576 4.489 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3cccc(C4CC4)c3)c2C1 ZINC000453771925 822408644 /nfs/dbraw/zinc/40/86/44/822408644.db2.gz BAFAMMWSJLTCGK-MRXNPFEDSA-N 1 1 391.515 4.106 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3cccc(C4CC4)c3)c2C1 ZINC000453771925 822408647 /nfs/dbraw/zinc/40/86/47/822408647.db2.gz BAFAMMWSJLTCGK-MRXNPFEDSA-N 1 1 391.515 4.106 20 0 GIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2CCCOCC2)n1 ZINC000183003021 822409378 /nfs/dbraw/zinc/40/93/78/822409378.db2.gz MRUZWYRISIYWBT-MRXNPFEDSA-N 1 1 382.533 4.401 20 0 GIADMO COc1ccc(CC[N@@H+](CCc2cccnc2)Cc2ccsc2)cc1OC ZINC000178789022 822409809 /nfs/dbraw/zinc/40/98/09/822409809.db2.gz PPWGWIHDQOZJTN-UHFFFAOYSA-N 1 1 382.529 4.448 20 0 GIADMO COc1cccc2cc([C@@H](C)Nc3cccc(C[N@H+]4CCC[C@@H]4C(N)=O)c3)oc21 ZINC000183007480 822410329 /nfs/dbraw/zinc/41/03/29/822410329.db2.gz WKKHVLVEWACXEZ-DNVCBOLYSA-N 1 1 393.487 4.064 20 0 GIADMO C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccc([S@@](C)=O)cc1 ZINC000178796381 822411054 /nfs/dbraw/zinc/41/10/54/822411054.db2.gz CTLMUZCLGUXSMF-MUUNZHRXSA-N 1 1 389.524 4.371 20 0 GIADMO C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1ccc([S@@](C)=O)cc1 ZINC000178796381 822411058 /nfs/dbraw/zinc/41/10/58/822411058.db2.gz CTLMUZCLGUXSMF-MUUNZHRXSA-N 1 1 389.524 4.371 20 0 GIADMO CSc1ccccc1C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000178816716 822413251 /nfs/dbraw/zinc/41/32/51/822413251.db2.gz WSNQSPJKCFINOG-GOSISDBHSA-N 1 1 392.528 4.304 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCNc4ccccc4C3)c2c1C ZINC000045802126 822415007 /nfs/dbraw/zinc/41/50/07/822415007.db2.gz RPVMHBIEXAEUMS-UHFFFAOYSA-N 1 1 393.560 4.336 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(F)cc(N3CCOCC3)c2)cc1 ZINC000183040036 822415998 /nfs/dbraw/zinc/41/59/98/822415998.db2.gz CXNGLVKNLLJOKD-MRXNPFEDSA-N 1 1 380.467 4.330 20 0 GIADMO Cc1csc(CNC(=O)C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000453894569 822418839 /nfs/dbraw/zinc/41/88/39/822418839.db2.gz JRMHKSLGOAFBET-UHFFFAOYSA-N 1 1 399.560 4.076 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2c(C)cc(N(C)C)cc2C)CC1 ZINC000178937326 822423091 /nfs/dbraw/zinc/42/30/91/822423091.db2.gz BVURDJCUZZSKFG-UHFFFAOYSA-N 1 1 380.536 4.028 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1nnc(C2CC2)s1 ZINC000045960482 822427070 /nfs/dbraw/zinc/42/70/70/822427070.db2.gz GJQNGTAFURECSD-AWEZNQCLSA-N 1 1 385.537 4.112 20 0 GIADMO Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000454084484 822427434 /nfs/dbraw/zinc/42/74/34/822427434.db2.gz IIMAABYLOGOFOT-RTBURBONSA-N 1 1 393.531 4.043 20 0 GIADMO C[S@](=O)C[C@H]([NH2+]Cc1cc(Br)ccc1Cl)c1ccccc1 ZINC000183127387 822427943 /nfs/dbraw/zinc/42/79/43/822427943.db2.gz UCCJDNVIPXQMLS-KKSFZXQISA-N 1 1 386.742 4.312 20 0 GIADMO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)c1ccccc1 ZINC000183127408 822428012 /nfs/dbraw/zinc/42/80/12/822428012.db2.gz UCCJDNVIPXQMLS-IIBYNOLFSA-N 1 1 386.742 4.312 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000045979924 822429169 /nfs/dbraw/zinc/42/91/69/822429169.db2.gz OTWIQOBNIKHZIS-KRWDZBQOSA-N 1 1 394.519 4.199 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000045980287 822429341 /nfs/dbraw/zinc/42/93/41/822429341.db2.gz YCCGVZQBPGNAGD-KRWDZBQOSA-N 1 1 394.519 4.341 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1F ZINC000183163703 822433933 /nfs/dbraw/zinc/43/39/33/822433933.db2.gz UXKTVPOPNBDHGR-CYBMUJFWSA-N 1 1 398.404 4.014 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cs2)cc1OC ZINC000179081594 822436394 /nfs/dbraw/zinc/43/63/94/822436394.db2.gz WXLULPBQYHSHMK-SFHVURJKSA-N 1 1 378.538 4.056 20 0 GIADMO CC[C@H](C)C(=O)Nc1cccc(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)c1 ZINC000183181351 822436753 /nfs/dbraw/zinc/43/67/53/822436753.db2.gz HCXDRLHBUSLUAV-XOBRGWDASA-N 1 1 376.447 4.427 20 0 GIADMO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000179090331 822437058 /nfs/dbraw/zinc/43/70/58/822437058.db2.gz GTWYQZCWFRZOSK-JPYJTQIMSA-N 1 1 391.515 4.492 20 0 GIADMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183194964 822439457 /nfs/dbraw/zinc/43/94/57/822439457.db2.gz YGXMSUPBQSEVCL-UHFFFAOYSA-N 1 1 388.777 4.301 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cs2)cc1OC ZINC000046091804 822440552 /nfs/dbraw/zinc/44/05/52/822440552.db2.gz GMFJIYVDBVWZPW-HNNXBMFYSA-N 1 1 388.533 4.218 20 0 GIADMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088057 822440689 /nfs/dbraw/zinc/44/06/89/822440689.db2.gz SNDQSHLZOJWDGW-DOTOQJQBSA-N 1 1 382.323 4.087 20 0 GIADMO O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088055 822440718 /nfs/dbraw/zinc/44/07/18/822440718.db2.gz SNDQSHLZOJWDGW-NVXWUHKLSA-N 1 1 382.323 4.087 20 0 GIADMO Cc1c(Cl)cccc1NC(=S)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000046103915 822441376 /nfs/dbraw/zinc/44/13/76/822441376.db2.gz BLWSPXBKGOETGN-LBPRGKRZSA-N 1 1 379.982 4.443 20 0 GIADMO Cc1c(Cl)cccc1NC(=S)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000046103915 822441377 /nfs/dbraw/zinc/44/13/77/822441377.db2.gz BLWSPXBKGOETGN-LBPRGKRZSA-N 1 1 379.982 4.443 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[C@H](O)CC[C@H]2C1)C1CCCCC1 ZINC000454233243 822441757 /nfs/dbraw/zinc/44/17/57/822441757.db2.gz WWLKPZHZXHMOBD-XQBPLPMBSA-N 1 1 399.579 4.466 20 0 GIADMO C[C@@H](O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000183211651 822442254 /nfs/dbraw/zinc/44/22/54/822442254.db2.gz PASFKTZVKTVNLM-CABCVRRESA-N 1 1 390.936 4.132 20 0 GIADMO C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000183211651 822442257 /nfs/dbraw/zinc/44/22/57/822442257.db2.gz PASFKTZVKTVNLM-CABCVRRESA-N 1 1 390.936 4.132 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000183216621 822442868 /nfs/dbraw/zinc/44/28/68/822442868.db2.gz JPWZRRLPRUHYRN-OAHLLOKOSA-N 1 1 375.341 4.095 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccc(Cn4ccnc4)c3)cc2)C1 ZINC000046155925 822445415 /nfs/dbraw/zinc/44/54/15/822445415.db2.gz BQVPWKAUVPRRTH-LJQANCHMSA-N 1 1 388.515 4.416 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)C2)C1 ZINC000454268808 822446975 /nfs/dbraw/zinc/44/69/75/822446975.db2.gz PHTRDXQSXVKNDN-OAQYLSRUSA-N 1 1 390.959 4.280 20 0 GIADMO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000179176749 822447420 /nfs/dbraw/zinc/44/74/20/822447420.db2.gz HSSWBDQVFKCMTC-QGZVFWFLSA-N 1 1 382.533 4.400 20 0 GIADMO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000179176749 822447422 /nfs/dbraw/zinc/44/74/22/822447422.db2.gz HSSWBDQVFKCMTC-QGZVFWFLSA-N 1 1 382.533 4.400 20 0 GIADMO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)C1CC1 ZINC000183252251 822448530 /nfs/dbraw/zinc/44/85/30/822448530.db2.gz XEHCDMVYEFPJOU-FQEVSTJZSA-N 1 1 378.451 4.052 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)[NH+](C)C ZINC000454287191 822451722 /nfs/dbraw/zinc/45/17/22/822451722.db2.gz MXSBVPPDJIGBRR-KSSFIOAISA-N 1 1 394.437 4.394 20 0 GIADMO C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000179211672 822451792 /nfs/dbraw/zinc/45/17/92/822451792.db2.gz QDCXLFZCGFZJIB-BDAKNGLRSA-N 1 1 377.254 4.302 20 0 GIADMO C[C@H](COc1ccc(F)cc1F)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000179211692 822451797 /nfs/dbraw/zinc/45/17/97/822451797.db2.gz QDCXLFZCGFZJIB-RKDXNWHRSA-N 1 1 377.254 4.302 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ncc(Br)s1 ZINC000179213989 822452060 /nfs/dbraw/zinc/45/20/60/822452060.db2.gz HXJQEHBBOIYTFT-RYUDHWBXSA-N 1 1 394.338 4.444 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)c3c(F)cccc3Cl)CC[N@H+]2C2CC2)c1 ZINC000183279270 822452875 /nfs/dbraw/zinc/45/28/75/822452875.db2.gz HXSUIESXLRIZNR-ICSRJNTNSA-N 1 1 388.870 4.196 20 0 GIADMO C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ncc(Br)s1 ZINC000179228395 822453969 /nfs/dbraw/zinc/45/39/69/822453969.db2.gz FWPPSYFNODZFJS-ABAIWWIYSA-N 1 1 377.307 4.443 20 0 GIADMO C[C@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000046243851 822454255 /nfs/dbraw/zinc/45/42/55/822454255.db2.gz QQLKLMQGEXGWML-SNVBAGLBSA-N 1 1 387.307 4.371 20 0 GIADMO C[C@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000046243851 822454256 /nfs/dbraw/zinc/45/42/56/822454256.db2.gz QQLKLMQGEXGWML-SNVBAGLBSA-N 1 1 387.307 4.371 20 0 GIADMO CCO[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C[C@@H]1C ZINC000454323393 822458086 /nfs/dbraw/zinc/45/80/86/822458086.db2.gz UUGKBXQLEVEMLJ-NNMXDRDESA-N 1 1 387.568 4.018 20 0 GIADMO CCCc1ncc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)o1 ZINC000454327789 822458512 /nfs/dbraw/zinc/45/85/12/822458512.db2.gz YIABIWIBVLAIJY-KRWDZBQOSA-N 1 1 384.524 4.001 20 0 GIADMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000179263337 822458596 /nfs/dbraw/zinc/45/85/96/822458596.db2.gz QOQTZSMOQLAZFW-GJZGRUSLSA-N 1 1 376.447 4.111 20 0 GIADMO COc1ccc(-c2nc(C[N@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)cs2)cc1 ZINC000179282852 822460811 /nfs/dbraw/zinc/46/08/11/822460811.db2.gz SQDBRBHHHIPLBD-MJGOQNOKSA-N 1 1 390.574 4.305 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCSC3)cs2)cc1 ZINC000179282852 822460812 /nfs/dbraw/zinc/46/08/12/822460812.db2.gz SQDBRBHHHIPLBD-MJGOQNOKSA-N 1 1 390.574 4.305 20 0 GIADMO Cn1c2ccccc2[nH+]c1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000179282972 822460873 /nfs/dbraw/zinc/46/08/73/822460873.db2.gz OYXOALMXNOXWHY-UHFFFAOYSA-N 1 1 375.398 4.068 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179289593 822461437 /nfs/dbraw/zinc/46/14/37/822461437.db2.gz URVLKGANHHVNOD-KXBFYZLASA-N 1 1 393.865 4.110 20 0 GIADMO Cc1cccc(OCCCC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000046341490 822463322 /nfs/dbraw/zinc/46/33/22/822463322.db2.gz ZPTSEUHBLLAQQL-PMACEKPBSA-N 1 1 396.531 4.402 20 0 GIADMO CCOc1ccccc1CCC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046342486 822463592 /nfs/dbraw/zinc/46/35/92/822463592.db2.gz UJSNORDBDMIUFQ-RTBURBONSA-N 1 1 396.531 4.266 20 0 GIADMO COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000046344452 822463803 /nfs/dbraw/zinc/46/38/03/822463803.db2.gz NWBRRMDLLFPGQX-IEBWSBKVSA-N 1 1 398.528 4.020 20 0 GIADMO O[C@@H](COCc1ccccc1F)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000046344432 822463857 /nfs/dbraw/zinc/46/38/57/822463857.db2.gz FVCWKWVWOXAFBX-VQIMIIECSA-N 1 1 386.492 4.150 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1F ZINC000454372516 822464393 /nfs/dbraw/zinc/46/43/93/822464393.db2.gz FNLHVEBWYZWXGD-SWLSCSKDSA-N 1 1 398.404 4.192 20 0 GIADMO COC[C@@]1(C)CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000454376505 822465057 /nfs/dbraw/zinc/46/50/57/822465057.db2.gz VIBPHZIHCDRYHC-QHCPKHFHSA-N 1 1 387.568 4.019 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc1F ZINC000454396292 822468574 /nfs/dbraw/zinc/46/85/74/822468574.db2.gz UBFMFQHBXAEYNW-HXUWFJFHSA-N 1 1 394.450 4.350 20 0 GIADMO Cc1ccc2c(CC(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)coc2c1 ZINC000046403667 822470319 /nfs/dbraw/zinc/47/03/19/822470319.db2.gz KRFVNVFUTKKJDC-UHFFFAOYSA-N 1 1 377.488 4.064 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000046403759 822470435 /nfs/dbraw/zinc/47/04/35/822470435.db2.gz KAZLUCNJWPYMEF-UHFFFAOYSA-N 1 1 377.410 4.100 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000183411710 822470527 /nfs/dbraw/zinc/47/05/27/822470527.db2.gz YBPSGZMMCSFIMZ-HXOBKFHXSA-N 1 1 376.456 4.074 20 0 GIADMO CC(C)c1cc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)nn1C(C)(C)C ZINC000046404538 822470668 /nfs/dbraw/zinc/47/06/68/822470668.db2.gz OWMIPPWPGWWRHQ-UHFFFAOYSA-N 1 1 397.567 4.156 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)C3(c4ccc(F)cc4)CCC3)cc2)CC1 ZINC000046404065 822470673 /nfs/dbraw/zinc/47/06/73/822470673.db2.gz TWFNJQHJYGEMDW-UHFFFAOYSA-N 1 1 381.495 4.028 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@H](C)Cc3ccc(C(C)C)cc3)CC2)[nH+]c1 ZINC000179375691 822473377 /nfs/dbraw/zinc/47/33/77/822473377.db2.gz BFUODYRHOJTHMS-LJQANCHMSA-N 1 1 379.548 4.477 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCCc4cc(F)ccc43)cc2)C[C@@H](C)O1 ZINC000046443067 822473678 /nfs/dbraw/zinc/47/36/78/822473678.db2.gz LYMWIRIAPIYVCU-IAGOWNOFSA-N 1 1 382.479 4.028 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000454427517 822473915 /nfs/dbraw/zinc/47/39/15/822473915.db2.gz LTZYVUUVOINTMY-JOCHJYFZSA-N 1 1 393.531 4.351 20 0 GIADMO Cc1ncc(C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)s1 ZINC000179380696 822473989 /nfs/dbraw/zinc/47/39/89/822473989.db2.gz JXKQLKNTQSLGCW-UHFFFAOYSA-N 1 1 383.311 4.007 20 0 GIADMO Cc1ncc(C[N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)s1 ZINC000179380696 822473993 /nfs/dbraw/zinc/47/39/93/822473993.db2.gz JXKQLKNTQSLGCW-UHFFFAOYSA-N 1 1 383.311 4.007 20 0 GIADMO Cc1occc1CN(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179383205 822474638 /nfs/dbraw/zinc/47/46/38/822474638.db2.gz OOOWCAQHVLLTMW-HNAYVOBHSA-N 1 1 393.890 4.215 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179388509 822475554 /nfs/dbraw/zinc/47/55/54/822475554.db2.gz YYZHMTRTTUHANJ-MRXNPFEDSA-N 1 1 384.524 4.202 20 0 GIADMO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)cc2)cc1 ZINC000179395620 822476601 /nfs/dbraw/zinc/47/66/01/822476601.db2.gz UXMHYCMQPORWDV-INIZCTEOSA-N 1 1 391.471 4.253 20 0 GIADMO CCCC[NH+](CCCC)Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S ZINC000046478582 822477166 /nfs/dbraw/zinc/47/71/66/822477166.db2.gz ZBOKJXULCABPEP-UHFFFAOYSA-N 1 1 375.542 4.221 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](Cn3cnc4cc(F)c(F)cc43)CC2)c(C)c1 ZINC000046478569 822477197 /nfs/dbraw/zinc/47/71/97/822477197.db2.gz ZKSZPHADGRLDQT-UHFFFAOYSA-N 1 1 383.442 4.484 20 0 GIADMO C[C@@H](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000183456711 822477721 /nfs/dbraw/zinc/47/77/21/822477721.db2.gz PSSWDZPPISYPNK-YJBOKZPZSA-N 1 1 388.895 4.095 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183464564 822478958 /nfs/dbraw/zinc/47/89/58/822478958.db2.gz UQDFHZRQROFSBL-CABCVRRESA-N 1 1 381.467 4.371 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183464504 822478969 /nfs/dbraw/zinc/47/89/69/822478969.db2.gz UQDFHZRQROFSBL-LSDHHAIUSA-N 1 1 381.467 4.371 20 0 GIADMO Cc1ncsc1C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000179428811 822481239 /nfs/dbraw/zinc/48/12/39/822481239.db2.gz NTQLQOVNNOPJPN-UHFFFAOYSA-N 1 1 389.528 4.390 20 0 GIADMO Cc1ncsc1C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000179428811 822481241 /nfs/dbraw/zinc/48/12/41/822481241.db2.gz NTQLQOVNNOPJPN-UHFFFAOYSA-N 1 1 389.528 4.390 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000454495867 822484886 /nfs/dbraw/zinc/48/48/86/822484886.db2.gz YGQFEEJCGQCRPJ-CWAQXLGLSA-N 1 1 391.559 4.375 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)n1 ZINC000183493769 822485449 /nfs/dbraw/zinc/48/54/49/822485449.db2.gz RBXOTESEBFCZKL-BEFAXECRSA-N 1 1 384.549 4.120 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N(Cc2ccco2)c2ccccc2)C2CC2)n1 ZINC000183499782 822486552 /nfs/dbraw/zinc/48/65/52/822486552.db2.gz QJWQAINXGPOZEN-FQEVSTJZSA-N 1 1 381.501 4.319 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000454506100 822486702 /nfs/dbraw/zinc/48/67/02/822486702.db2.gz KMRMMIBXTFNMLG-SFHLNBCPSA-N 1 1 396.535 4.070 20 0 GIADMO C[N@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000179469496 822487238 /nfs/dbraw/zinc/48/72/38/822487238.db2.gz FABRBAKACQTGSS-CRAIPNDOSA-N 1 1 384.351 4.271 20 0 GIADMO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc(OC)cc3)n2)cc1 ZINC000046582318 822488260 /nfs/dbraw/zinc/48/82/60/822488260.db2.gz VDKDCTCZBJLFEY-HXUWFJFHSA-N 1 1 379.460 4.481 20 0 GIADMO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc(OC)cc3)n2)cc1 ZINC000046582318 822488262 /nfs/dbraw/zinc/48/82/62/822488262.db2.gz VDKDCTCZBJLFEY-HXUWFJFHSA-N 1 1 379.460 4.481 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1OCC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183522420 822489541 /nfs/dbraw/zinc/48/95/41/822489541.db2.gz OWBISOQLCOXMIO-LSDHHAIUSA-N 1 1 381.467 4.105 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(COc4ccccc4)cc3)CC[C@@H]21 ZINC000179487006 822489985 /nfs/dbraw/zinc/48/99/85/822489985.db2.gz WCIKDZHWBLAXHA-UGKGYDQZSA-N 1 1 379.504 4.214 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496544 822491248 /nfs/dbraw/zinc/49/12/48/822491248.db2.gz PZOJKCSOKMBZEF-JZXOWHBKSA-N 1 1 395.551 4.402 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496544 822491249 /nfs/dbraw/zinc/49/12/49/822491249.db2.gz PZOJKCSOKMBZEF-JZXOWHBKSA-N 1 1 395.551 4.402 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Nc1cccc2ccccc21 ZINC000179497902 822491574 /nfs/dbraw/zinc/49/15/74/822491574.db2.gz HULFYOXVNYVMOF-SFHVURJKSA-N 1 1 389.503 4.044 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)Nc1cccc2ccccc21 ZINC000179497902 822491576 /nfs/dbraw/zinc/49/15/76/822491576.db2.gz HULFYOXVNYVMOF-SFHVURJKSA-N 1 1 389.503 4.044 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)Nc1cccc2ccccc21 ZINC000179497902 822491579 /nfs/dbraw/zinc/49/15/79/822491579.db2.gz HULFYOXVNYVMOF-SFHVURJKSA-N 1 1 389.503 4.044 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)n1 ZINC000183542950 822492490 /nfs/dbraw/zinc/49/24/90/822492490.db2.gz JIBGEIARPOGQFK-APWZRJJASA-N 1 1 382.533 4.136 20 0 GIADMO COc1cc(C)c([C@@H](C)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000046615459 822493198 /nfs/dbraw/zinc/49/31/98/822493198.db2.gz STXUJLBDAXRCBT-ZWKOTPCHSA-N 1 1 391.556 4.027 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cc4ccccc4s3)cc2)C[C@H](C)O1 ZINC000046623072 822494485 /nfs/dbraw/zinc/49/44/85/822494485.db2.gz DYWMZJHFXXEGTB-CALCHBBNSA-N 1 1 394.540 4.441 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000454544207 822494519 /nfs/dbraw/zinc/49/45/19/822494519.db2.gz HANVYDDHRYQUJK-SFHVURJKSA-N 1 1 378.879 4.215 20 0 GIADMO c1ccc(COc2ccc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cc2)nc1 ZINC000179515653 822494818 /nfs/dbraw/zinc/49/48/18/822494818.db2.gz XPBZMMHTLUEOND-IBGZPJMESA-N 1 1 389.503 4.036 20 0 GIADMO c1ccc(COc2ccc(C[N@@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)cc2)nc1 ZINC000179515653 822494820 /nfs/dbraw/zinc/49/48/20/822494820.db2.gz XPBZMMHTLUEOND-IBGZPJMESA-N 1 1 389.503 4.036 20 0 GIADMO c1ccc(COc2ccc(C[N@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)cc2)nc1 ZINC000179515653 822494823 /nfs/dbraw/zinc/49/48/23/822494823.db2.gz XPBZMMHTLUEOND-IBGZPJMESA-N 1 1 389.503 4.036 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)C2CC2)n1 ZINC000183560992 822494925 /nfs/dbraw/zinc/49/49/25/822494925.db2.gz CKQJQVRKQMYZDO-OAHLLOKOSA-N 1 1 383.489 4.446 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000183563760 822495320 /nfs/dbraw/zinc/49/53/20/822495320.db2.gz GLLNOTPXVUOQHO-ZIAGYGMSSA-N 1 1 376.522 4.404 20 0 GIADMO COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000183563742 822495350 /nfs/dbraw/zinc/49/53/50/822495350.db2.gz GLLNOTPXVUOQHO-UONOGXRCSA-N 1 1 376.522 4.404 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1C ZINC000179530674 822497983 /nfs/dbraw/zinc/49/79/83/822497983.db2.gz OYUOVROGFHTMSD-CALCHBBNSA-N 1 1 397.567 4.319 20 0 GIADMO Cc1cc(Sc2ccccc2)ccc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000454569894 822498426 /nfs/dbraw/zinc/49/84/26/822498426.db2.gz DOMWHGPHABRNMD-GOSISDBHSA-N 1 1 399.560 4.115 20 0 GIADMO CCOc1cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1OC(F)F ZINC000179532232 822498471 /nfs/dbraw/zinc/49/84/71/822498471.db2.gz QTRXAKGMIFRPON-UHFFFAOYSA-N 1 1 390.430 4.203 20 0 GIADMO CCOc1cc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1OC(F)F ZINC000179532232 822498475 /nfs/dbraw/zinc/49/84/75/822498475.db2.gz QTRXAKGMIFRPON-UHFFFAOYSA-N 1 1 390.430 4.203 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cnc2ccc(F)cc2c1 ZINC000179538805 822499699 /nfs/dbraw/zinc/49/96/99/822499699.db2.gz ONTDSHUYHXTCSF-KRWDZBQOSA-N 1 1 377.463 4.111 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000183615164 822501710 /nfs/dbraw/zinc/50/17/10/822501710.db2.gz BZYCOEQWWVBYNS-AWEZNQCLSA-N 1 1 395.425 4.083 20 0 GIADMO CCCOc1cc(C[N@H+](CC)CC(=O)Nc2c(F)cccc2F)ccc1OC ZINC000179575656 822505965 /nfs/dbraw/zinc/50/59/65/822505965.db2.gz IZQJUTZKHSBUPD-UHFFFAOYSA-N 1 1 392.446 4.223 20 0 GIADMO CCCOc1cc(C[N@@H+](CC)CC(=O)Nc2c(F)cccc2F)ccc1OC ZINC000179575656 822505966 /nfs/dbraw/zinc/50/59/66/822505966.db2.gz IZQJUTZKHSBUPD-UHFFFAOYSA-N 1 1 392.446 4.223 20 0 GIADMO CCc1nn(C)cc1C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000179578066 822506175 /nfs/dbraw/zinc/50/61/75/822506175.db2.gz RZINNZHAGPWBFT-CQSZACIVSA-N 1 1 396.457 4.241 20 0 GIADMO CCc1nn(C)cc1C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000179578066 822506178 /nfs/dbraw/zinc/50/61/78/822506178.db2.gz RZINNZHAGPWBFT-CQSZACIVSA-N 1 1 396.457 4.241 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000454615407 822506689 /nfs/dbraw/zinc/50/66/89/822506689.db2.gz ZVDMBIREOPCXNY-NZSAHSFTSA-N 1 1 379.495 4.164 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000183673026 822509170 /nfs/dbraw/zinc/50/91/70/822509170.db2.gz DELZGYNKINIDHM-UHFFFAOYSA-N 1 1 390.281 4.219 20 0 GIADMO O=C(NC[C@H]1CCCCC1(F)F)Nc1ccccc1C[NH+]1CCSCC1 ZINC000454631628 822509494 /nfs/dbraw/zinc/50/94/94/822509494.db2.gz NKBUDGDRBYFFJQ-MRXNPFEDSA-N 1 1 383.508 4.182 20 0 GIADMO CCOC(=O)c1sc2nc(C[NH2+]C(C)(C)c3cccc(C)c3)nc(N)c2c1C ZINC000179596242 822509580 /nfs/dbraw/zinc/50/95/80/822509580.db2.gz YFOSQMQKWPHMBR-UHFFFAOYSA-N 1 1 398.532 4.092 20 0 GIADMO CSCC1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000454630812 822509560 /nfs/dbraw/zinc/50/95/60/822509560.db2.gz ZCQAPAOVJMQOLS-GHOZHQTGSA-N 1 1 389.609 4.118 20 0 GIADMO Cc1cccc(C(C)(C)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000179596845 822509599 /nfs/dbraw/zinc/50/95/99/822509599.db2.gz BVQRLCBWSZHNJX-UHFFFAOYSA-N 1 1 375.398 4.014 20 0 GIADMO CCC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000179598401 822510067 /nfs/dbraw/zinc/51/00/67/822510067.db2.gz JQPZWBQWLJPUBX-SFHVURJKSA-N 1 1 396.535 4.285 20 0 GIADMO CC(C)C(=O)N1CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179607028 822511641 /nfs/dbraw/zinc/51/16/41/822511641.db2.gz OFEWEEPIXATTML-SFHVURJKSA-N 1 1 379.342 4.017 20 0 GIADMO CC(C)C(=O)N1CCC[N@H+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179607028 822511645 /nfs/dbraw/zinc/51/16/45/822511645.db2.gz OFEWEEPIXATTML-SFHVURJKSA-N 1 1 379.342 4.017 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000183689541 822511929 /nfs/dbraw/zinc/51/19/29/822511929.db2.gz OQDSUUKLMDPENK-CYBMUJFWSA-N 1 1 395.413 4.360 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(CSc4ccccn4)c3)C2)C1 ZINC000454657107 822513132 /nfs/dbraw/zinc/51/31/32/822513132.db2.gz FNYYBEYAECYGNR-QFIPXVFZSA-N 1 1 396.560 4.324 20 0 GIADMO CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1OC ZINC000183704653 822514266 /nfs/dbraw/zinc/51/42/66/822514266.db2.gz MZKVKXXJHQVKED-CYBMUJFWSA-N 1 1 379.298 4.444 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000046766026 822515108 /nfs/dbraw/zinc/51/51/08/822515108.db2.gz OQBBZPXSYIIDPR-UHFFFAOYSA-N 1 1 381.501 4.060 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000179627676 822515408 /nfs/dbraw/zinc/51/54/08/822515408.db2.gz QWLBBQMBNUXGIX-UHFFFAOYSA-N 1 1 392.503 4.244 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000179627676 822515411 /nfs/dbraw/zinc/51/54/11/822515411.db2.gz QWLBBQMBNUXGIX-UHFFFAOYSA-N 1 1 392.503 4.244 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)cc1F ZINC000179627262 822515465 /nfs/dbraw/zinc/51/54/65/822515465.db2.gz FDIYWVNBRIVPJP-HXUWFJFHSA-N 1 1 398.457 4.447 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000046786658 822517382 /nfs/dbraw/zinc/51/73/82/822517382.db2.gz FBVBIGYILCMRKI-UHFFFAOYSA-N 1 1 395.528 4.368 20 0 GIADMO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000046795117 822518042 /nfs/dbraw/zinc/51/80/42/822518042.db2.gz SPUFUWNBVKNUBU-NRFANRHFSA-N 1 1 392.524 4.286 20 0 GIADMO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000046795117 822518044 /nfs/dbraw/zinc/51/80/44/822518044.db2.gz SPUFUWNBVKNUBU-NRFANRHFSA-N 1 1 392.524 4.286 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)Nc1cccnc1 ZINC000046804367 822518988 /nfs/dbraw/zinc/51/89/88/822518988.db2.gz LVOHBAAPQPLRHL-IBGZPJMESA-N 1 1 378.501 4.064 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)Nc1cccnc1 ZINC000046804367 822518990 /nfs/dbraw/zinc/51/89/90/822518990.db2.gz LVOHBAAPQPLRHL-IBGZPJMESA-N 1 1 378.501 4.064 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)Nc1ccccn1 ZINC000046804371 822519034 /nfs/dbraw/zinc/51/90/34/822519034.db2.gz VCXBIDSWNXNFOR-SFHVURJKSA-N 1 1 378.501 4.064 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)Nc1ccccn1 ZINC000046804371 822519037 /nfs/dbraw/zinc/51/90/37/822519037.db2.gz VCXBIDSWNXNFOR-SFHVURJKSA-N 1 1 378.501 4.064 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)Nc1ccccn1 ZINC000046804369 822519115 /nfs/dbraw/zinc/51/91/15/822519115.db2.gz VCXBIDSWNXNFOR-GOSISDBHSA-N 1 1 378.501 4.064 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)Nc1ccccn1 ZINC000046804369 822519120 /nfs/dbraw/zinc/51/91/20/822519120.db2.gz VCXBIDSWNXNFOR-GOSISDBHSA-N 1 1 378.501 4.064 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[NH2+]C1(c2ccccc2F)CC1 ZINC000179651596 822520070 /nfs/dbraw/zinc/52/00/70/822520070.db2.gz MWBUXNVFZBIJAZ-UHFFFAOYSA-N 1 1 377.257 4.114 20 0 GIADMO COc1ccc([C@H](CN[C@H](c2ccco2)c2ccccc2)[NH+](C)C)cc1OC ZINC000183740003 822520168 /nfs/dbraw/zinc/52/01/68/822520168.db2.gz NFRNIWALVUHPMR-CVDCTZTESA-N 1 1 380.488 4.279 20 0 GIADMO O=C(NCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)c1ccccc1 ZINC000183740413 822520218 /nfs/dbraw/zinc/52/02/18/822520218.db2.gz PBCYXGFKZJAWSX-IBGZPJMESA-N 1 1 399.288 4.151 20 0 GIADMO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnn(CC)c1 ZINC000179652792 822520624 /nfs/dbraw/zinc/52/06/24/822520624.db2.gz KQLJOKOZZAYEDV-CQSZACIVSA-N 1 1 382.430 4.161 20 0 GIADMO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cnn(CC)c1 ZINC000179652792 822520626 /nfs/dbraw/zinc/52/06/26/822520626.db2.gz KQLJOKOZZAYEDV-CQSZACIVSA-N 1 1 382.430 4.161 20 0 GIADMO CN(C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC000179655106 822521260 /nfs/dbraw/zinc/52/12/60/822521260.db2.gz UIXGAVHXHZZNHT-KUHUBIRLSA-N 1 1 393.865 4.457 20 0 GIADMO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000179664636 822523072 /nfs/dbraw/zinc/52/30/72/822523072.db2.gz VCSIOMNTQGICPU-HNNXBMFYSA-N 1 1 391.437 4.284 20 0 GIADMO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000179664636 822523075 /nfs/dbraw/zinc/52/30/75/822523075.db2.gz VCSIOMNTQGICPU-HNNXBMFYSA-N 1 1 391.437 4.284 20 0 GIADMO Cn1c(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)nc2ccccc2c1=O ZINC000179668199 822523424 /nfs/dbraw/zinc/52/34/24/822523424.db2.gz QESNNSRSZMWISM-JOCHJYFZSA-N 1 1 383.495 4.397 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000183761940 822524028 /nfs/dbraw/zinc/52/40/28/822524028.db2.gz WEJIREVONIGIAT-NSHDSACASA-N 1 1 380.275 4.241 20 0 GIADMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(F)cc3-c3nc4ccccc4s3)C[C@@H]21 ZINC000454732204 822524629 /nfs/dbraw/zinc/52/46/29/822524629.db2.gz IJGONAOOYMPFBH-ACJLOTCBSA-N 1 1 396.491 4.270 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000046861793 822524883 /nfs/dbraw/zinc/52/48/83/822524883.db2.gz BTEJPCVAWBQSCL-HNNXBMFYSA-N 1 1 387.549 4.045 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(F)ccc3F)CC[N@H+]2C2CC2)c1 ZINC000183767884 822525402 /nfs/dbraw/zinc/52/54/02/822525402.db2.gz LQUJTLFTKURFEH-AZUAARDMSA-N 1 1 387.430 4.073 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CC[C@H](c4cc(C)cc(C)c4)C3)CC2)[nH+]c1 ZINC000183768561 822525664 /nfs/dbraw/zinc/52/56/64/822525664.db2.gz LWVQYTUCHONKPX-NRFANRHFSA-N 1 1 377.532 4.239 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(F)cc1Cl ZINC000183776227 822526783 /nfs/dbraw/zinc/52/67/83/822526783.db2.gz WYGSMQYVOLNSRP-AWEZNQCLSA-N 1 1 375.875 4.369 20 0 GIADMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3nnc4ccccn43)s2)cc1 ZINC000183788480 822528268 /nfs/dbraw/zinc/52/82/68/822528268.db2.gz ZTFGIHDBMJHBCJ-CYBMUJFWSA-N 1 1 379.489 4.021 20 0 GIADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000179695012 822529010 /nfs/dbraw/zinc/52/90/10/822529010.db2.gz IGVTXJDPRLKODN-QHCPKHFHSA-N 1 1 388.515 4.262 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000179695012 822529012 /nfs/dbraw/zinc/52/90/12/822529012.db2.gz IGVTXJDPRLKODN-QHCPKHFHSA-N 1 1 388.515 4.262 20 0 GIADMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000179704312 822531585 /nfs/dbraw/zinc/53/15/85/822531585.db2.gz YTSZHGZKGAOGLX-KBXCAEBGSA-N 1 1 390.325 4.104 20 0 GIADMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000179704312 822531586 /nfs/dbraw/zinc/53/15/86/822531586.db2.gz YTSZHGZKGAOGLX-KBXCAEBGSA-N 1 1 390.325 4.104 20 0 GIADMO Cc1noc(C)c1CSCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000046934135 822532281 /nfs/dbraw/zinc/53/22/81/822532281.db2.gz WUXUGSVZNMIHFA-HNNXBMFYSA-N 1 1 387.549 4.395 20 0 GIADMO CC(=O)N[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1cccs1 ZINC000046934192 822532307 /nfs/dbraw/zinc/53/23/07/822532307.db2.gz ITFDCEVBKIEVMZ-UZLBHIALSA-N 1 1 399.560 4.186 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)cc2)C1 ZINC000046934421 822532508 /nfs/dbraw/zinc/53/25/08/822532508.db2.gz RQNVRVAGTCKBAG-INIZCTEOSA-N 1 1 375.472 4.012 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000046934931 822532593 /nfs/dbraw/zinc/53/25/93/822532593.db2.gz AYSLYKCMNCCCQG-QGZVFWFLSA-N 1 1 390.483 4.097 20 0 GIADMO C[C@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)NC(=O)c1ccccc1 ZINC000046934411 822532662 /nfs/dbraw/zinc/53/26/62/822532662.db2.gz UPKRQCPCDATQHT-RBUKOAKNSA-N 1 1 393.531 4.066 20 0 GIADMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)C1 ZINC000046956648 822534161 /nfs/dbraw/zinc/53/41/61/822534161.db2.gz CBYDDSKRBQJTFT-KRWDZBQOSA-N 1 1 395.507 4.102 20 0 GIADMO CC[C@@H](c1nnc(SCc2ncccc2C)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000179719334 822534771 /nfs/dbraw/zinc/53/47/71/822534771.db2.gz BNCCLJBZCFIMNW-IBGZPJMESA-N 1 1 397.548 4.284 20 0 GIADMO Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2nnc4n2CCCC4)CCC3)cc1 ZINC000183842843 822534870 /nfs/dbraw/zinc/53/48/70/822534870.db2.gz RDBPNIYDUQBYNK-HNNXBMFYSA-N 1 1 383.496 4.044 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000046988474 822536032 /nfs/dbraw/zinc/53/60/32/822536032.db2.gz ZXOVUMPJQOBRGJ-KRWDZBQOSA-N 1 1 387.499 4.184 20 0 GIADMO OCCC[C@@H]([NH2+]Cc1csc(COc2ccc(F)cc2)n1)c1ccccc1 ZINC000179734912 822538516 /nfs/dbraw/zinc/53/85/16/822538516.db2.gz YEPZCSWEKYISOI-HXUWFJFHSA-N 1 1 386.492 4.465 20 0 GIADMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](C4(C)OCCO4)C3)c2cc1C(C)C ZINC000183879674 822539620 /nfs/dbraw/zinc/53/96/20/822539620.db2.gz NWBWLAYEWYTXMQ-SFHVURJKSA-N 1 1 385.504 4.200 20 0 GIADMO CC(=O)Nc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1C ZINC000047047600 822540187 /nfs/dbraw/zinc/54/01/87/822540187.db2.gz GFLPGKSJWDMBQT-NRFANRHFSA-N 1 1 399.922 4.174 20 0 GIADMO Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1cccc(NC(=O)C(C)C)c1 ZINC000183882568 822540242 /nfs/dbraw/zinc/54/02/42/822540242.db2.gz FCQQLAAURKELRM-QFIPXVFZSA-N 1 1 381.520 4.075 20 0 GIADMO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000179749700 822542154 /nfs/dbraw/zinc/54/21/54/822542154.db2.gz UFVVYZPHQHBLIL-GOSISDBHSA-N 1 1 396.531 4.266 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2COc3ccccc3C2)c1 ZINC000047093925 822544237 /nfs/dbraw/zinc/54/42/37/822544237.db2.gz CTUBLIHRXAOFRG-HXUWFJFHSA-N 1 1 390.487 4.180 20 0 GIADMO O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047103785 822544791 /nfs/dbraw/zinc/54/47/91/822544791.db2.gz ZPUASUVZOFOPPA-ZHALLVOQSA-N 1 1 389.952 4.417 20 0 GIADMO Clc1ccc(-c2nnc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)o2)cc1 ZINC000179762974 822546251 /nfs/dbraw/zinc/54/62/51/822546251.db2.gz NEQCOOLMVQMVLL-HXUWFJFHSA-N 1 1 397.862 4.402 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000047144037 822548363 /nfs/dbraw/zinc/54/83/63/822548363.db2.gz LSORUHDQCLMUCF-LBPRGKRZSA-N 1 1 379.863 4.047 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)Nc2cccc(Br)c2)s1 ZINC000183927116 822548423 /nfs/dbraw/zinc/54/84/23/822548423.db2.gz MACPQHBOLSSDAE-LLVKDONJSA-N 1 1 382.327 4.066 20 0 GIADMO CSc1ncc(Cl)c(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)n1 ZINC000179767916 822548448 /nfs/dbraw/zinc/54/84/48/822548448.db2.gz SXRXGTWGTHXYNQ-UHFFFAOYSA-N 1 1 376.913 4.076 20 0 GIADMO COc1ccc(OCc2nc(C[N@H+](C)C[C@H](C)c3nccs3)cs2)cc1 ZINC000183928222 822548648 /nfs/dbraw/zinc/54/86/48/822548648.db2.gz CIWREYOCQKLMKJ-AWEZNQCLSA-N 1 1 389.546 4.423 20 0 GIADMO COc1ccc(OCc2nc(C[N@@H+](C)C[C@H](C)c3nccs3)cs2)cc1 ZINC000183928222 822548650 /nfs/dbraw/zinc/54/86/50/822548650.db2.gz CIWREYOCQKLMKJ-AWEZNQCLSA-N 1 1 389.546 4.423 20 0 GIADMO CC[C@@H]1CN(C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000183932766 822549651 /nfs/dbraw/zinc/54/96/51/822549651.db2.gz LQHUOJSYZODEFZ-OAQYLSRUSA-N 1 1 394.519 4.082 20 0 GIADMO C[C@@H](C[N@@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000183938532 822550488 /nfs/dbraw/zinc/55/04/88/822550488.db2.gz JMPRHSDRLDKVBY-SFHVURJKSA-N 1 1 393.556 4.474 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000047187873 822552609 /nfs/dbraw/zinc/55/26/09/822552609.db2.gz BCENBIQVBUWFGH-QGZVFWFLSA-N 1 1 399.560 4.242 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[NH2+]C(C)(C)c3ncc(C)s3)ccc2c1 ZINC000183952716 822553017 /nfs/dbraw/zinc/55/30/17/822553017.db2.gz BKDITFPECRQFPP-UHFFFAOYSA-N 1 1 397.544 4.097 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000183969270 822555663 /nfs/dbraw/zinc/55/56/63/822555663.db2.gz RNMJZNLSSMPOQZ-UHFFFAOYSA-N 1 1 386.348 4.242 20 0 GIADMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)N1CC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000454913022 822555668 /nfs/dbraw/zinc/55/56/68/822555668.db2.gz ARABCHTTZTWPMC-HUUCEWRRSA-N 1 1 395.828 4.019 20 0 GIADMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)N1CC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000454913022 822555670 /nfs/dbraw/zinc/55/56/70/822555670.db2.gz ARABCHTTZTWPMC-HUUCEWRRSA-N 1 1 395.828 4.019 20 0 GIADMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000179811746 822557947 /nfs/dbraw/zinc/55/79/47/822557947.db2.gz AAZKXDAJJVOSMA-UHFFFAOYSA-N 1 1 393.350 4.232 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000454926311 822558251 /nfs/dbraw/zinc/55/82/51/822558251.db2.gz NEPROKZGQQSZQJ-GOSISDBHSA-N 1 1 391.515 4.191 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000047260624 822559497 /nfs/dbraw/zinc/55/94/97/822559497.db2.gz TXSXXFKTCSEIDV-AWEZNQCLSA-N 1 1 384.530 4.117 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000047260624 822559500 /nfs/dbraw/zinc/55/95/00/822559500.db2.gz TXSXXFKTCSEIDV-AWEZNQCLSA-N 1 1 384.530 4.117 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000047262347 822559896 /nfs/dbraw/zinc/55/98/96/822559896.db2.gz PZEXDAISIIYVNM-INIZCTEOSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000047262347 822559898 /nfs/dbraw/zinc/55/98/98/822559898.db2.gz PZEXDAISIIYVNM-INIZCTEOSA-N 1 1 396.878 4.241 20 0 GIADMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1C ZINC000047265660 822559904 /nfs/dbraw/zinc/55/99/04/822559904.db2.gz YTWSFJQNXCBNLB-UHFFFAOYSA-N 1 1 380.410 4.315 20 0 GIADMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1C ZINC000047265660 822559906 /nfs/dbraw/zinc/55/99/06/822559906.db2.gz YTWSFJQNXCBNLB-UHFFFAOYSA-N 1 1 380.410 4.315 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Cl)c(Br)c3)C2)C1 ZINC000454940522 822560532 /nfs/dbraw/zinc/56/05/32/822560532.db2.gz IILLNDJHVINYPE-INIZCTEOSA-N 1 1 386.721 4.052 20 0 GIADMO Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000047275845 822560995 /nfs/dbraw/zinc/56/09/95/822560995.db2.gz SXVYSCJMGJCCAH-UHFFFAOYSA-N 1 1 381.486 4.321 20 0 GIADMO CCCC[N@H+](C)c1ccc(N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000179831291 822562106 /nfs/dbraw/zinc/56/21/06/822562106.db2.gz NQNCYWIFIYZERD-MRXNPFEDSA-N 1 1 375.538 4.004 20 0 GIADMO CCCC[N@@H+](C)c1ccc(N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000179831291 822562109 /nfs/dbraw/zinc/56/21/09/822562109.db2.gz NQNCYWIFIYZERD-MRXNPFEDSA-N 1 1 375.538 4.004 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21)c1nccs1 ZINC000184007197 822562662 /nfs/dbraw/zinc/56/26/62/822562662.db2.gz CPCZJLKJVYSAOB-CABCVRRESA-N 1 1 375.563 4.096 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21)c1nccs1 ZINC000184007197 822562664 /nfs/dbraw/zinc/56/26/64/822562664.db2.gz CPCZJLKJVYSAOB-CABCVRRESA-N 1 1 375.563 4.096 20 0 GIADMO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000184015207 822564192 /nfs/dbraw/zinc/56/41/92/822564192.db2.gz HNGOSWHOCUSIPF-MRXNPFEDSA-N 1 1 382.895 4.491 20 0 GIADMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000184015207 822564193 /nfs/dbraw/zinc/56/41/93/822564193.db2.gz HNGOSWHOCUSIPF-MRXNPFEDSA-N 1 1 382.895 4.491 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(Cl)cc3Br)C2)C1 ZINC000455008165 822569636 /nfs/dbraw/zinc/56/96/36/822569636.db2.gz ZCJJSHGMUZEUEO-INIZCTEOSA-N 1 1 386.721 4.052 20 0 GIADMO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000179892999 822572812 /nfs/dbraw/zinc/57/28/12/822572812.db2.gz HXHNFUKYPQXFPM-SQWLQELKSA-N 1 1 376.497 4.299 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3scnc3C3CCCC3)cc2)CC1 ZINC000184064601 822573402 /nfs/dbraw/zinc/57/34/02/822573402.db2.gz JXBZHRLUXYZBLI-UHFFFAOYSA-N 1 1 384.549 4.195 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(Br)c3cccnc23)ccc1O ZINC000179911465 822575418 /nfs/dbraw/zinc/57/54/18/822575418.db2.gz VXKXIXKZRIVHEX-UHFFFAOYSA-N 1 1 387.277 4.344 20 0 GIADMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccccc1Sc1ccccc1 ZINC000047405776 822575733 /nfs/dbraw/zinc/57/57/33/822575733.db2.gz AKPQXVZUGYXVKL-KRWDZBQOSA-N 1 1 382.529 4.277 20 0 GIADMO O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000047405827 822575737 /nfs/dbraw/zinc/57/57/37/822575737.db2.gz BWSJWSXCMVBYNM-SNVBAGLBSA-N 1 1 377.699 4.086 20 0 GIADMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+](C[C@@H]3CCOC3)C3CC3)cc2)c1 ZINC000047405501 822575848 /nfs/dbraw/zinc/57/58/48/822575848.db2.gz MIVDMQVNXMNRFF-SFHVURJKSA-N 1 1 380.488 4.227 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000047431301 822578733 /nfs/dbraw/zinc/57/87/33/822578733.db2.gz KSLAOYCHBOOFGO-UHFFFAOYSA-N 1 1 397.906 4.178 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000179931123 822579312 /nfs/dbraw/zinc/57/93/12/822579312.db2.gz PGEALZMZCCBEGR-AWEZNQCLSA-N 1 1 387.749 4.087 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000179931123 822579313 /nfs/dbraw/zinc/57/93/13/822579313.db2.gz PGEALZMZCCBEGR-AWEZNQCLSA-N 1 1 387.749 4.087 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cn(C)nc3C(C)(C)C)C2)cc1 ZINC000179932824 822579711 /nfs/dbraw/zinc/57/97/11/822579711.db2.gz LQVNMKOSOHKQEM-SFHVURJKSA-N 1 1 397.567 4.060 20 0 GIADMO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179942602 822582047 /nfs/dbraw/zinc/58/20/47/822582047.db2.gz PVEDJPLTUKQKHP-AWEZNQCLSA-N 1 1 396.350 4.354 20 0 GIADMO Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000179942602 822582048 /nfs/dbraw/zinc/58/20/48/822582048.db2.gz PVEDJPLTUKQKHP-AWEZNQCLSA-N 1 1 396.350 4.354 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000047522218 822586881 /nfs/dbraw/zinc/58/68/81/822586881.db2.gz DUVADBSFXHQXQV-GOSISDBHSA-N 1 1 391.515 4.440 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000179970939 822587953 /nfs/dbraw/zinc/58/79/53/822587953.db2.gz BEBHEQKBZJQYTH-ZDUSSCGKSA-N 1 1 382.851 4.077 20 0 GIADMO C[C@@H]([NH2+]Cc1c(F)cccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000179984641 822590772 /nfs/dbraw/zinc/59/07/72/822590772.db2.gz XMDXKDWGQHESBH-LLVKDONJSA-N 1 1 377.257 4.324 20 0 GIADMO Cc1ccccc1NC(=S)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047567436 822591356 /nfs/dbraw/zinc/59/13/56/822591356.db2.gz LEGZEEYLWXHZNA-HDICACEKSA-N 1 1 383.561 4.091 20 0 GIADMO O=C(Nc1ccncc1F)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000184204525 822595790 /nfs/dbraw/zinc/59/57/90/822595790.db2.gz ZUBRFWORWXRGJT-UHFFFAOYSA-N 1 1 397.281 4.314 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000184223768 822598751 /nfs/dbraw/zinc/59/87/51/822598751.db2.gz DQVISQRDJXYKNL-APWZRJJASA-N 1 1 391.508 4.081 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000184223768 822598755 /nfs/dbraw/zinc/59/87/55/822598755.db2.gz DQVISQRDJXYKNL-APWZRJJASA-N 1 1 391.508 4.081 20 0 GIADMO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1nc2ccc(Cl)cc2n1C ZINC000180025036 822599314 /nfs/dbraw/zinc/59/93/14/822599314.db2.gz NMGQPADVASEGFH-OAHLLOKOSA-N 1 1 386.927 4.018 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000047677038 822599456 /nfs/dbraw/zinc/59/94/56/822599456.db2.gz IYRNKKXRYJLCIN-UHFFFAOYSA-N 1 1 392.484 4.395 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCC2(F)F)[C@@H]1c1cccs1 ZINC000455170676 822601178 /nfs/dbraw/zinc/60/11/78/822601178.db2.gz OPFXFVHPSYRPOT-BFYDXBDKSA-N 1 1 385.524 4.256 20 0 GIADMO COc1ccc(Cl)cc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047714843 822602805 /nfs/dbraw/zinc/60/28/05/822602805.db2.gz QGBDJMBHYFLJDL-UHFFFAOYSA-N 1 1 394.849 4.021 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1nc2ccc(Cl)cc2n1C ZINC000180049849 822604446 /nfs/dbraw/zinc/60/44/46/822604446.db2.gz PJXNJNZWQUNZAA-ZDUSSCGKSA-N 1 1 383.858 4.402 20 0 GIADMO O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000047797050 822609504 /nfs/dbraw/zinc/60/95/04/822609504.db2.gz MMCZDPQIONVKDH-IBGZPJMESA-N 1 1 379.834 4.247 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)C1CC1 ZINC000455211775 822609667 /nfs/dbraw/zinc/60/96/67/822609667.db2.gz SNYZHEXEQQFPIH-OAHLLOKOSA-N 1 1 377.838 4.117 20 0 GIADMO CCc1ccc(C(C)(C)[NH2+]Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)cc1 ZINC000180096137 822614717 /nfs/dbraw/zinc/61/47/17/822614717.db2.gz XSTLKEDZJTXOEH-UHFFFAOYSA-N 1 1 396.560 4.108 20 0 GIADMO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000455238359 822614999 /nfs/dbraw/zinc/61/49/99/822614999.db2.gz ZEJXNSYWZDHKQL-QGZVFWFLSA-N 1 1 376.504 4.462 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000180099554 822615311 /nfs/dbraw/zinc/61/53/11/822615311.db2.gz JSYCPQPJASVEIC-PKTZIBPZSA-N 1 1 399.494 4.114 20 0 GIADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000184331065 822616534 /nfs/dbraw/zinc/61/65/34/822616534.db2.gz VCMBMPNGEWVSCV-IRXDYDNUSA-N 1 1 378.944 4.177 20 0 GIADMO COc1cc(-c2noc(C[N@@H+](CCC(C)C)C3CC3)n2)ccc1OC(F)F ZINC000047912141 822618833 /nfs/dbraw/zinc/61/88/33/822618833.db2.gz FPIUDGQMTLHOQW-UHFFFAOYSA-N 1 1 381.423 4.357 20 0 GIADMO CC[C@H](C)n1ncc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1C ZINC000455263228 822620820 /nfs/dbraw/zinc/62/08/20/822620820.db2.gz NMEOEYGRIOMLDF-KRWDZBQOSA-N 1 1 383.540 4.339 20 0 GIADMO CC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1nc(C)cs1 ZINC000184357630 822621498 /nfs/dbraw/zinc/62/14/98/822621498.db2.gz XFRQEMCCJURBAL-KGLIPLIRSA-N 1 1 388.562 4.149 20 0 GIADMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1 ZINC000180132141 822622359 /nfs/dbraw/zinc/62/23/59/822622359.db2.gz XMWSVHSJPQGDGQ-GOSISDBHSA-N 1 1 388.552 4.016 20 0 GIADMO Cc1cncc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000184372597 822623872 /nfs/dbraw/zinc/62/38/72/822623872.db2.gz WFZWGBTVLFQKCP-HTAPYJJXSA-N 1 1 380.513 4.234 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2OC(F)F)[C@H](C)C1 ZINC000184379018 822624966 /nfs/dbraw/zinc/62/49/66/822624966.db2.gz IQBHMVIHLMAQPN-RISCZKNCSA-N 1 1 375.847 4.135 20 0 GIADMO CCOc1cccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)c1OC(F)F ZINC000180150780 822627352 /nfs/dbraw/zinc/62/73/52/822627352.db2.gz GHGNZHPBKIQXAI-ZDUSSCGKSA-N 1 1 375.419 4.424 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](CC)c2nc(C)cs2)cc1 ZINC000184397097 822627986 /nfs/dbraw/zinc/62/79/86/822627986.db2.gz CBBQFPIKFHXIPT-RBUKOAKNSA-N 1 1 387.549 4.255 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCCC[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000184412739 822630431 /nfs/dbraw/zinc/63/04/31/822630431.db2.gz MYEKULUDMGUDSX-NNWRFLSQSA-N 1 1 387.568 4.030 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)c1nc(C)cs1 ZINC000184434471 822634370 /nfs/dbraw/zinc/63/43/70/822634370.db2.gz MERXUYFGGXYQEZ-AWEZNQCLSA-N 1 1 382.327 4.202 20 0 GIADMO CCC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000048168604 822641818 /nfs/dbraw/zinc/64/18/18/822641818.db2.gz PCUBQMCFPRWZPU-FQEVSTJZSA-N 1 1 399.922 4.255 20 0 GIADMO COc1ccc([C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1F ZINC000048176875 822642460 /nfs/dbraw/zinc/64/24/60/822642460.db2.gz ZVDGMPZIKQNYHR-MRXNPFEDSA-N 1 1 387.499 4.235 20 0 GIADMO C[N@@H+]1CCc2[nH]c(=NC(=O)c3ccc(SCc4ccccc4)cc3)sc2C1 ZINC000048222885 822646641 /nfs/dbraw/zinc/64/66/41/822646641.db2.gz XBUHRMXJXUPHAA-UHFFFAOYSA-N 1 1 395.553 4.098 20 0 GIADMO C[N@H+]1CCc2[nH]c(=NC(=O)c3ccc(SCc4ccccc4)cc3)sc2C1 ZINC000048222885 822646642 /nfs/dbraw/zinc/64/66/42/822646642.db2.gz XBUHRMXJXUPHAA-UHFFFAOYSA-N 1 1 395.553 4.098 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2cccnc2)cc1 ZINC000048227558 822647088 /nfs/dbraw/zinc/64/70/88/822647088.db2.gz NHNDZSBVFMYXBA-GOSISDBHSA-N 1 1 383.561 4.006 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000048236988 822647336 /nfs/dbraw/zinc/64/73/36/822647336.db2.gz WEBMXXUIJKJSSR-INIZCTEOSA-N 1 1 389.540 4.263 20 0 GIADMO CCC[N@H+](CCc1cccs1)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000184513279 822648463 /nfs/dbraw/zinc/64/84/63/822648463.db2.gz QAADRNFGUIULQV-UHFFFAOYSA-N 1 1 392.546 4.138 20 0 GIADMO CCC[N@@H+](CCc1cccs1)Cc1nc2cc(S(=O)(=O)CC)ccc2o1 ZINC000184513279 822648464 /nfs/dbraw/zinc/64/84/64/822648464.db2.gz QAADRNFGUIULQV-UHFFFAOYSA-N 1 1 392.546 4.138 20 0 GIADMO OCC[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccco1 ZINC000184517111 822649365 /nfs/dbraw/zinc/64/93/65/822649365.db2.gz QHEOLXBPEBLWBA-DZGCQCFKSA-N 1 1 397.315 4.365 20 0 GIADMO CCC[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCO1 ZINC000180261784 822650240 /nfs/dbraw/zinc/65/02/40/822650240.db2.gz NQYQOXHBEDOBRH-GHTZIAJQSA-N 1 1 384.520 4.123 20 0 GIADMO CCC[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000180261784 822650242 /nfs/dbraw/zinc/65/02/42/822650242.db2.gz NQYQOXHBEDOBRH-GHTZIAJQSA-N 1 1 384.520 4.123 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1ccn(-c2ccccc2)n1 ZINC000180263839 822650646 /nfs/dbraw/zinc/65/06/46/822650646.db2.gz OWKYBUPECQONEH-UHFFFAOYSA-N 1 1 386.499 4.387 20 0 GIADMO C[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C[C@@H]1n1ccnc1 ZINC000180271707 822652181 /nfs/dbraw/zinc/65/21/81/822652181.db2.gz ZXOQUSOEKZLZRV-KSSFIOAISA-N 1 1 385.309 4.277 20 0 GIADMO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184533201 822652307 /nfs/dbraw/zinc/65/23/07/822652307.db2.gz QYQSPQNDUWDTRD-JKSUJKDBSA-N 1 1 395.528 4.347 20 0 GIADMO Cc1nc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)sc1Cc1ccc(F)cc1 ZINC000455448251 822656008 /nfs/dbraw/zinc/65/60/08/822656008.db2.gz OAKHTPRIPSBRHK-SUMWQHHRSA-N 1 1 390.528 4.128 20 0 GIADMO CCSc1cccc(Br)c1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455464361 822659697 /nfs/dbraw/zinc/65/96/97/822659697.db2.gz NWYYIITVAZPUNC-YHWZYXNKSA-N 1 1 398.370 4.308 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)cc2)c2ccc(F)cc2)cn1 ZINC000184585366 822661594 /nfs/dbraw/zinc/66/15/94/822661594.db2.gz ICDVHYXUSHYIAE-IBGZPJMESA-N 1 1 393.384 4.380 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455477059 822662020 /nfs/dbraw/zinc/66/20/20/822662020.db2.gz PJQGDGXDIREGKY-UXDRXVOSSA-N 1 1 398.576 4.446 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c2ccc(F)cc2)cn1 ZINC000184588470 822662144 /nfs/dbraw/zinc/66/21/44/822662144.db2.gz IBWXDGIDHJQHKI-NRFANRHFSA-N 1 1 395.478 4.394 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)c2ccc(F)cc2)cn1 ZINC000184610482 822665501 /nfs/dbraw/zinc/66/55/01/822665501.db2.gz QYZLRWAMOTXLDP-IBGZPJMESA-N 1 1 393.384 4.380 20 0 GIADMO CC(C)Oc1ccc(-c2ccc(NC(=O)N3CCC[N@@H+](C)CC3)c(F)c2)cc1 ZINC000455523017 822670322 /nfs/dbraw/zinc/67/03/22/822670322.db2.gz ZEEZKWJCKRXART-UHFFFAOYSA-N 1 1 385.483 4.449 20 0 GIADMO COc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000048549222 822671338 /nfs/dbraw/zinc/67/13/38/822671338.db2.gz PRTFZSLRBFLFGV-AWEZNQCLSA-N 1 1 387.446 4.490 20 0 GIADMO C[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000455544507 822672849 /nfs/dbraw/zinc/67/28/49/822672849.db2.gz OWQUISPFLBIGQP-CQSZACIVSA-N 1 1 377.410 4.090 20 0 GIADMO COc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000180395990 822675226 /nfs/dbraw/zinc/67/52/26/822675226.db2.gz XQZLKEMHESSPCT-LJQANCHMSA-N 1 1 393.384 4.466 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2cc(F)cc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000455565078 822675422 /nfs/dbraw/zinc/67/54/22/822675422.db2.gz KPNCXPXJDFSLPJ-CQSZACIVSA-N 1 1 377.410 4.232 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000455568608 822675971 /nfs/dbraw/zinc/67/59/71/822675971.db2.gz RNRZKXWJPHYKNL-CZUORRHYSA-N 1 1 377.410 4.279 20 0 GIADMO Cc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nn1-c1ccc(C)cc1 ZINC000180409540 822676901 /nfs/dbraw/zinc/67/69/01/822676901.db2.gz VXUOGXNITVJMAZ-FPOVZHCZSA-N 1 1 394.563 4.216 20 0 GIADMO O=C(C1CC[NH+](Cc2c(F)cccc2Br)CC1)N1CCCCCC1 ZINC000180418617 822678296 /nfs/dbraw/zinc/67/82/96/822678296.db2.gz KARBSCNABFONRK-UHFFFAOYSA-N 1 1 397.332 4.203 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc2ccccc2nc1C ZINC000455584816 822678614 /nfs/dbraw/zinc/67/86/14/822678614.db2.gz ZQRHFQRRUOIKMS-OAQYLSRUSA-N 1 1 388.515 4.065 20 0 GIADMO C[C@H](CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)Cc1ccc(Cl)cc1 ZINC000180426508 822679656 /nfs/dbraw/zinc/67/96/56/822679656.db2.gz LSOOBCZJPZIDNU-HNNXBMFYSA-N 1 1 387.911 4.048 20 0 GIADMO CC(C)Sc1cc(Br)ccc1C[N@H+](CCO)Cc1cccnc1 ZINC000180429324 822680234 /nfs/dbraw/zinc/68/02/34/822680234.db2.gz VRZCKZCZANQSAZ-UHFFFAOYSA-N 1 1 395.366 4.339 20 0 GIADMO CC(C)Sc1cc(Br)ccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000180429324 822680237 /nfs/dbraw/zinc/68/02/37/822680237.db2.gz VRZCKZCZANQSAZ-UHFFFAOYSA-N 1 1 395.366 4.339 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@H](c1ccccc1)C(F)F ZINC000455603246 822682523 /nfs/dbraw/zinc/68/25/23/822682523.db2.gz SFMUYDGWYNURLH-MAUKXSAKSA-N 1 1 393.503 4.266 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000048778841 822682612 /nfs/dbraw/zinc/68/26/12/822682612.db2.gz PHXJZQZTIDYOMO-KRWDZBQOSA-N 1 1 396.535 4.046 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C)nc1-c1cccs1 ZINC000180442515 822682837 /nfs/dbraw/zinc/68/28/37/822682837.db2.gz DCLMGOOKMTZKOJ-UHFFFAOYSA-N 1 1 382.533 4.226 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cn(C)nc1-c1cccs1 ZINC000180442515 822682839 /nfs/dbraw/zinc/68/28/39/822682839.db2.gz DCLMGOOKMTZKOJ-UHFFFAOYSA-N 1 1 382.533 4.226 20 0 GIADMO COCc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000048828238 822684951 /nfs/dbraw/zinc/68/49/51/822684951.db2.gz CHQPBAWRVJIWBH-IBGZPJMESA-N 1 1 395.547 4.064 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455623240 822685739 /nfs/dbraw/zinc/68/57/39/822685739.db2.gz MEJQPCHPKZBNKG-PWRODBHTSA-N 1 1 399.485 4.156 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455623233 822685786 /nfs/dbraw/zinc/68/57/86/822685786.db2.gz MEJQPCHPKZBNKG-PCCBWWKXSA-N 1 1 399.485 4.156 20 0 GIADMO O=C(Nc1cccc(C2CC2)n1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455623800 822685856 /nfs/dbraw/zinc/68/58/56/822685856.db2.gz WYURTGCLOCXWKD-RBBKRZOGSA-N 1 1 390.531 4.477 20 0 GIADMO O=C(Nc1cccc(C2CC2)n1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455625620 822686153 /nfs/dbraw/zinc/68/61/53/822686153.db2.gz MJJLLZPIIRSUAM-QHCPKHFHSA-N 1 1 376.504 4.089 20 0 GIADMO Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000455627133 822686200 /nfs/dbraw/zinc/68/62/00/822686200.db2.gz ZLWNEVIOJMRCET-UHFFFAOYSA-N 1 1 380.536 4.149 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1)C1CC1 ZINC000455627200 822686329 /nfs/dbraw/zinc/68/63/29/822686329.db2.gz ZQFOHZPBGFATFG-UHFFFAOYSA-N 1 1 386.515 4.070 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC[N@H+]1C ZINC000455633252 822687391 /nfs/dbraw/zinc/68/73/91/822687391.db2.gz CCUOPBCBHQUBPI-JQWIXIFHSA-N 1 1 379.810 4.185 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000455633285 822687418 /nfs/dbraw/zinc/68/74/18/822687418.db2.gz CIDGCDNIZOLNDX-NSHDSACASA-N 1 1 379.810 4.044 20 0 GIADMO CCOc1c(OC)cc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1OC ZINC000184780498 822690038 /nfs/dbraw/zinc/69/00/38/822690038.db2.gz DHPLRTWCGDVVLY-UHFFFAOYSA-N 1 1 381.476 4.077 20 0 GIADMO COC(=O)c1oc([C@@H](C)[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1C ZINC000180488928 822690257 /nfs/dbraw/zinc/69/02/57/822690257.db2.gz XUXKCEMNLVVQMJ-OAHLLOKOSA-N 1 1 385.460 4.039 20 0 GIADMO COc1cc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c(SC)cc1OC ZINC000184782019 822690240 /nfs/dbraw/zinc/69/02/40/822690240.db2.gz FICLQUPARMQFNZ-UHFFFAOYSA-N 1 1 383.517 4.400 20 0 GIADMO COC(=O)c1coc(C[NH2+][C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)c1 ZINC000184793897 822691868 /nfs/dbraw/zinc/69/18/68/822691868.db2.gz WKNHQTJVYGFVMP-LBPRGKRZSA-N 1 1 386.473 4.358 20 0 GIADMO C[C@@H]1CN(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455657788 822693222 /nfs/dbraw/zinc/69/32/22/822693222.db2.gz DGMUZWSTOONMNB-UGKGYDQZSA-N 1 1 393.531 4.176 20 0 GIADMO O=C(c1cccc(Br)c1Cl)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180507511 822693263 /nfs/dbraw/zinc/69/32/63/822693263.db2.gz XSJSKIYQQLIHRQ-WBMJQRKESA-N 1 1 397.744 4.191 20 0 GIADMO O=C(c1cccc(Br)c1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000180507550 822693316 /nfs/dbraw/zinc/69/33/16/822693316.db2.gz XSJSKIYQQLIHRQ-LRDDRELGSA-N 1 1 397.744 4.191 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3c(C)n[nH]c3C)c2)cs1 ZINC000180525704 822696206 /nfs/dbraw/zinc/69/62/06/822696206.db2.gz AKLPOUQORDZHOQ-LJQANCHMSA-N 1 1 395.532 4.234 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H]3c3c(C)n[nH]c3C)c2)cs1 ZINC000180525704 822696210 /nfs/dbraw/zinc/69/62/10/822696210.db2.gz AKLPOUQORDZHOQ-LJQANCHMSA-N 1 1 395.532 4.234 20 0 GIADMO CC[C@@H]1C[C@H](C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCO1 ZINC000180530389 822697185 /nfs/dbraw/zinc/69/71/85/822697185.db2.gz VMRUSTQITSVYAN-RTBURBONSA-N 1 1 390.527 4.106 20 0 GIADMO CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000180540323 822698727 /nfs/dbraw/zinc/69/87/27/822698727.db2.gz BMJCEFOOSRCGAC-OAHLLOKOSA-N 1 1 396.318 4.067 20 0 GIADMO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000180540323 822698730 /nfs/dbraw/zinc/69/87/30/822698730.db2.gz BMJCEFOOSRCGAC-OAHLLOKOSA-N 1 1 396.318 4.067 20 0 GIADMO CN(C)C1(C[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CCOCC1 ZINC000180542855 822699076 /nfs/dbraw/zinc/69/90/76/822699076.db2.gz UGUBLHFCASOGLN-HXUWFJFHSA-N 1 1 376.903 4.269 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1Cl ZINC000049409469 822700381 /nfs/dbraw/zinc/70/03/81/822700381.db2.gz GXAGFJMCVLXDMW-FQEVSTJZSA-N 1 1 388.939 4.435 20 0 GIADMO O=c1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000180553598 822701207 /nfs/dbraw/zinc/70/12/07/822701207.db2.gz NUSSRCDGUCMARS-HNNXBMFYSA-N 1 1 399.775 4.270 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000180560915 822702775 /nfs/dbraw/zinc/70/27/75/822702775.db2.gz KWQBFHFREQWWRX-UHFFFAOYSA-N 1 1 382.291 4.123 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455696163 822704856 /nfs/dbraw/zinc/70/48/56/822704856.db2.gz OCGPCRRQNXUQGM-ROUUACIJSA-N 1 1 384.911 4.029 20 0 GIADMO Cc1cc(=O)oc2cc(OCC[NH2+][C@H](C)c3ncc(-c4ccccc4)o3)ccc12 ZINC000184888041 822707663 /nfs/dbraw/zinc/70/76/63/822707663.db2.gz DNKAXYKZOHXMAV-MRXNPFEDSA-N 1 1 390.439 4.486 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184894421 822708939 /nfs/dbraw/zinc/70/89/39/822708939.db2.gz AGWIYGBTBMTBBW-AWEZNQCLSA-N 1 1 395.330 4.382 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cncc(Cl)c1C ZINC000455709035 822709222 /nfs/dbraw/zinc/70/92/22/822709222.db2.gz HSPSBLTZNCENBQ-GOSISDBHSA-N 1 1 386.927 4.419 20 0 GIADMO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184906215 822711081 /nfs/dbraw/zinc/71/10/81/822711081.db2.gz CIJDYJUWCVWSNX-WBVHZDCISA-N 1 1 386.879 4.394 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000049975118 822712916 /nfs/dbraw/zinc/71/29/16/822712916.db2.gz KWDRLRMZXOWYJE-UHFFFAOYSA-N 1 1 378.925 4.033 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C2CC2)cc1 ZINC000049975118 822712921 /nfs/dbraw/zinc/71/29/21/822712921.db2.gz KWDRLRMZXOWYJE-UHFFFAOYSA-N 1 1 378.925 4.033 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cn(C)nc2C2CCCCC2)C1 ZINC000455722716 822713876 /nfs/dbraw/zinc/71/38/76/822713876.db2.gz YXKPEVSHFOQPOA-HDICACEKSA-N 1 1 389.588 4.347 20 0 GIADMO COCOc1ccc(OC)cc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000180620898 822714112 /nfs/dbraw/zinc/71/41/12/822714112.db2.gz FZVWNTSEBRXBIC-QUCCMNQESA-N 1 1 389.492 4.139 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000180622531 822714499 /nfs/dbraw/zinc/71/44/99/822714499.db2.gz VAZHJWFNWIVEJU-INIZCTEOSA-N 1 1 392.421 4.005 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000050026777 822714838 /nfs/dbraw/zinc/71/48/38/822714838.db2.gz UPZXDHLWSXLQNV-GGAORHGYSA-N 1 1 378.516 4.271 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2OCCF)CC[N@H+]1Cc1ccccc1 ZINC000455726269 822714857 /nfs/dbraw/zinc/71/48/57/822714857.db2.gz TVFAREDZLUMRLO-HKUYNNGSSA-N 1 1 385.483 4.210 20 0 GIADMO CCSCc1cc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)no1 ZINC000184932639 822715065 /nfs/dbraw/zinc/71/50/65/822715065.db2.gz LYQZAJDPRMHSLC-UHFFFAOYSA-N 1 1 399.516 4.083 20 0 GIADMO CCSCc1cc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)no1 ZINC000184932639 822715066 /nfs/dbraw/zinc/71/50/66/822715066.db2.gz LYQZAJDPRMHSLC-UHFFFAOYSA-N 1 1 399.516 4.083 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1OCCF ZINC000455727732 822715374 /nfs/dbraw/zinc/71/53/74/822715374.db2.gz XZHXGQCTGOVAMK-IEBWSBKVSA-N 1 1 385.483 4.067 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 ZINC000455732340 822716225 /nfs/dbraw/zinc/71/62/25/822716225.db2.gz VDJBHLTVIAKFEQ-UHFFFAOYSA-N 1 1 392.491 4.224 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)c3ccc([C@H](C)C(F)(F)F)cc3)CC2)[nH+]c1 ZINC000455732832 822716379 /nfs/dbraw/zinc/71/63/79/822716379.db2.gz NCTWVNRFQHPNAQ-HNNXBMFYSA-N 1 1 391.437 4.455 20 0 GIADMO O=C(Nc1ccccc1OCCF)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455740872 822717822 /nfs/dbraw/zinc/71/78/22/822717822.db2.gz XDEUCFZKXSKOFE-PMACEKPBSA-N 1 1 397.494 4.021 20 0 GIADMO CCSc1nn(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c(=S)s1 ZINC000184956566 822718237 /nfs/dbraw/zinc/71/82/37/822718237.db2.gz OYIICFPZZFFYHK-GFCCVEGCSA-N 1 1 386.637 4.184 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N(Cc1ccccc1)C1CC1 ZINC000050137048 822720075 /nfs/dbraw/zinc/72/00/75/822720075.db2.gz YZYOVRZCUGVZDZ-IBGZPJMESA-N 1 1 383.561 4.334 20 0 GIADMO Cn1cc(-c2cc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)on2)cn1 ZINC000185020331 822726172 /nfs/dbraw/zinc/72/61/72/822726172.db2.gz MBAOXFYSXQPOFL-LPHOPBHVSA-N 1 1 386.521 4.005 20 0 GIADMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000185022164 822726356 /nfs/dbraw/zinc/72/63/56/822726356.db2.gz BPEAWPGGFWDBEI-UHFFFAOYSA-N 1 1 382.813 4.147 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000185022164 822726357 /nfs/dbraw/zinc/72/63/57/822726357.db2.gz BPEAWPGGFWDBEI-UHFFFAOYSA-N 1 1 382.813 4.147 20 0 GIADMO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2cc(-c4cnn(C)c4)no2)C3)cs1 ZINC000185046727 822728969 /nfs/dbraw/zinc/72/89/69/822728969.db2.gz AXRGLXGLXTVMDD-UHFFFAOYSA-N 1 1 397.529 4.127 20 0 GIADMO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2cc(-c4cnn(C)c4)no2)C3)cs1 ZINC000185046727 822728971 /nfs/dbraw/zinc/72/89/71/822728971.db2.gz AXRGLXGLXTVMDD-UHFFFAOYSA-N 1 1 397.529 4.127 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1nccs1 ZINC000185069818 822732443 /nfs/dbraw/zinc/73/24/43/822732443.db2.gz ROWRGHFRAWZKSD-XLIONFOSSA-N 1 1 397.569 4.420 20 0 GIADMO CCCn1ncc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1C1CC1 ZINC000455827403 822732913 /nfs/dbraw/zinc/73/29/13/822732913.db2.gz KGZHIVUTQVOLMW-UHFFFAOYSA-N 1 1 383.540 4.332 20 0 GIADMO CCSCc1ccc(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000455848992 822736622 /nfs/dbraw/zinc/73/66/22/822736622.db2.gz AXQXJNCYKSAUAA-UHFFFAOYSA-N 1 1 384.549 4.434 20 0 GIADMO CC(C)([NH2+]Cn1nc(-c2ccccc2)ccc1=O)c1ccc(Br)cc1 ZINC000050898754 822742478 /nfs/dbraw/zinc/74/24/78/822742478.db2.gz MHSSOCUEBINFSN-UHFFFAOYSA-N 1 1 398.304 4.155 20 0 GIADMO Cc1nc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)sc1Cc1ccccc1F ZINC000455895332 822743908 /nfs/dbraw/zinc/74/39/08/822743908.db2.gz CIRMNJPBOPXCER-CJNGLKHVSA-N 1 1 390.528 4.128 20 0 GIADMO Cc1nc(COc2ccc(CNC(C)(C)CC[NH+]3CCCCCC3)cc2)no1 ZINC000185158725 822744155 /nfs/dbraw/zinc/74/41/55/822744155.db2.gz NRDKTNWUQSODRZ-UHFFFAOYSA-N 1 1 386.540 4.091 20 0 GIADMO CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000051060761 822745577 /nfs/dbraw/zinc/74/55/77/822745577.db2.gz IBJDCNPMUVWISZ-OALUTQOASA-N 1 1 387.568 4.074 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000051061668 822745661 /nfs/dbraw/zinc/74/56/61/822745661.db2.gz UQZVOFSIVVLOOY-MRXNPFEDSA-N 1 1 375.900 4.123 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1 ZINC000051062974 822745726 /nfs/dbraw/zinc/74/57/26/822745726.db2.gz TZFSQVZWMOJXRM-GBESFXJTSA-N 1 1 387.568 4.155 20 0 GIADMO CC(C)c1ccc(CC2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000185178066 822745950 /nfs/dbraw/zinc/74/59/50/822745950.db2.gz SOJJXZQEVOOTFQ-UHFFFAOYSA-N 1 1 386.580 4.094 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)c1ccc(F)cc1O ZINC000185180178 822746130 /nfs/dbraw/zinc/74/61/30/822746130.db2.gz HTUHLDJKHKCSON-QWRGUYRKSA-N 1 1 396.256 4.477 20 0 GIADMO CCc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000455906227 822746408 /nfs/dbraw/zinc/74/64/08/822746408.db2.gz NPZHTKMRUYLQDL-IBGZPJMESA-N 1 1 381.520 4.243 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000051133597 822747816 /nfs/dbraw/zinc/74/78/16/822747816.db2.gz ZHYVTSJKHUMDPL-KPDCDPCYSA-N 1 1 384.495 4.103 20 0 GIADMO C[C@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000185196817 822748092 /nfs/dbraw/zinc/74/80/92/822748092.db2.gz ALVJZIRCRCKSHA-JKSUJKDBSA-N 1 1 392.503 4.187 20 0 GIADMO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000051188131 822749961 /nfs/dbraw/zinc/74/99/61/822749961.db2.gz HMNAZAUWRATWKJ-RBUKOAKNSA-N 1 1 388.298 4.235 20 0 GIADMO CC[C@@H](C[N@H+](CC)Cn1nc(-c2cnccn2)n(CC)c1=S)c1ccccc1 ZINC000185215207 822750145 /nfs/dbraw/zinc/75/01/45/822750145.db2.gz XWLVVGYRDVERHP-KRWDZBQOSA-N 1 1 396.564 4.364 20 0 GIADMO CC[C@@H](C[N@@H+](CC)Cn1nc(-c2cnccn2)n(CC)c1=S)c1ccccc1 ZINC000185215207 822750146 /nfs/dbraw/zinc/75/01/46/822750146.db2.gz XWLVVGYRDVERHP-KRWDZBQOSA-N 1 1 396.564 4.364 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C2CC2)s1 ZINC000185272926 822757897 /nfs/dbraw/zinc/75/78/97/822757897.db2.gz SUVSKWDNPFCJLD-VFNWGFHPSA-N 1 1 383.561 4.248 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185307530 822763075 /nfs/dbraw/zinc/76/30/75/822763075.db2.gz GEDSKTFPUBFMPT-MEDUHNTESA-N 1 1 379.913 4.181 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000185321047 822765554 /nfs/dbraw/zinc/76/55/54/822765554.db2.gz MIQVDJNTXDUIFS-UHFFFAOYSA-N 1 1 390.867 4.438 20 0 GIADMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)sc2C1 ZINC000456012834 822766394 /nfs/dbraw/zinc/76/63/94/822766394.db2.gz UCKTVSYZKLCQGZ-LSDHHAIUSA-N 1 1 375.925 4.305 20 0 GIADMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)sc2C1 ZINC000456012834 822766397 /nfs/dbraw/zinc/76/63/97/822766397.db2.gz UCKTVSYZKLCQGZ-LSDHHAIUSA-N 1 1 375.925 4.305 20 0 GIADMO COCC[NH+]1CCC(N[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000174301830 822767211 /nfs/dbraw/zinc/76/72/11/822767211.db2.gz MGRSSFVNNXGCAB-GFCCVEGCSA-N 1 1 398.391 4.486 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C2CC2)s1 ZINC000185345967 822768927 /nfs/dbraw/zinc/76/89/27/822768927.db2.gz RPRMVNOJVYRVQM-SJORKVTESA-N 1 1 377.579 4.457 20 0 GIADMO Cc1cnc([C@H]([NH2+]CCCN[C@H](c2ncc(C)s2)C2CC2)C2CC2)s1 ZINC000185362500 822771957 /nfs/dbraw/zinc/77/19/57/822771957.db2.gz OEJQUAMZYONPRV-CALCHBBNSA-N 1 1 376.595 4.388 20 0 GIADMO CC(C)[C@H]1C[N@H+](Cc2nnc(-c3ccccc3Br)o2)CCS1 ZINC000174334494 822773151 /nfs/dbraw/zinc/77/31/51/822773151.db2.gz FQGQFKCREYTHFZ-CQSZACIVSA-N 1 1 382.327 4.073 20 0 GIADMO CC(C)[C@H]1C[N@@H+](Cc2nnc(-c3ccccc3Br)o2)CCS1 ZINC000174334494 822773154 /nfs/dbraw/zinc/77/31/54/822773154.db2.gz FQGQFKCREYTHFZ-CQSZACIVSA-N 1 1 382.327 4.073 20 0 GIADMO Cc1ccccc1-c1ccc(Cl)c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000456068871 822774060 /nfs/dbraw/zinc/77/40/60/822774060.db2.gz PCMUWQYHYVNIQO-GOSISDBHSA-N 1 1 399.966 4.071 20 0 GIADMO C[C@@H](c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1)C(F)(F)F ZINC000456071863 822774533 /nfs/dbraw/zinc/77/45/33/822774533.db2.gz TWMHNECIYOVSJP-IFXJQAMLSA-N 1 1 392.421 4.171 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(Cl)c2ccccc21 ZINC000185387209 822776738 /nfs/dbraw/zinc/77/67/38/822776738.db2.gz LCLRNVGUPOMRQF-CYBMUJFWSA-N 1 1 387.936 4.431 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2Br)cc1F ZINC000051792634 822778405 /nfs/dbraw/zinc/77/84/05/822778405.db2.gz UFYHFNLRACXFOI-UHFFFAOYSA-N 1 1 395.272 4.057 20 0 GIADMO COc1ccccc1C[N@@H+](Cc1nc2ccccc2nc1C)C[C@@H]1CCCO1 ZINC000051798564 822778872 /nfs/dbraw/zinc/77/88/72/822778872.db2.gz YTEIYYMMRFYJSJ-IBGZPJMESA-N 1 1 377.488 4.128 20 0 GIADMO COc1ccccc1C[N@H+](Cc1nc2ccccc2nc1C)C[C@@H]1CCCO1 ZINC000051798564 822778875 /nfs/dbraw/zinc/77/88/75/822778875.db2.gz YTEIYYMMRFYJSJ-IBGZPJMESA-N 1 1 377.488 4.128 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000174379407 822780856 /nfs/dbraw/zinc/78/08/56/822780856.db2.gz XLOCYIFAPRRLHK-IBGZPJMESA-N 1 1 397.519 4.080 20 0 GIADMO CC(C)OC(=O)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000185415256 822780883 /nfs/dbraw/zinc/78/08/83/822780883.db2.gz FPYQKOOPBYSYIA-OAQYLSRUSA-N 1 1 381.451 4.004 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000456133308 822782676 /nfs/dbraw/zinc/78/26/76/822782676.db2.gz ANLOUORLRVRRCP-INIZCTEOSA-N 1 1 390.325 4.175 20 0 GIADMO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000185437250 822783656 /nfs/dbraw/zinc/78/36/56/822783656.db2.gz FOQWHXOQKXECMG-HKUYNNGSSA-N 1 1 383.536 4.251 20 0 GIADMO NC(=O)c1cccc(C[NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1 ZINC000185438488 822783855 /nfs/dbraw/zinc/78/38/55/822783855.db2.gz KMCALFJGHILZHD-QGZVFWFLSA-N 1 1 381.476 4.215 20 0 GIADMO CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000185438736 822783923 /nfs/dbraw/zinc/78/39/23/822783923.db2.gz GQKKQTLWCBUILX-MOPGFXCFSA-N 1 1 381.520 4.005 20 0 GIADMO NC(=O)c1cccc(C[NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1 ZINC000185438504 822783978 /nfs/dbraw/zinc/78/39/78/822783978.db2.gz KMCALFJGHILZHD-KRWDZBQOSA-N 1 1 381.476 4.215 20 0 GIADMO CN(Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174398696 822784108 /nfs/dbraw/zinc/78/41/08/822784108.db2.gz DMCZVIPLVGHFHO-LJQANCHMSA-N 1 1 379.479 4.435 20 0 GIADMO C[NH+](C)Cc1ccc(CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000174403037 822785142 /nfs/dbraw/zinc/78/51/42/822785142.db2.gz AHRCNQRFKDFEOG-NRFANRHFSA-N 1 1 388.939 4.249 20 0 GIADMO C[C@H](CNC(=O)c1ccccc1Oc1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000051982565 822785525 /nfs/dbraw/zinc/78/55/25/822785525.db2.gz IJIPPLBOLCHKGG-GOSISDBHSA-N 1 1 387.483 4.051 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Oc3ccccc3)cc2)on1 ZINC000052009252 822786756 /nfs/dbraw/zinc/78/67/56/822786756.db2.gz KFXGEONBFFBECV-AVRDEDQJSA-N 1 1 394.471 4.352 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](CC)C[C@@H]3CCOC3)cs2)cc1OC ZINC000052072458 822789662 /nfs/dbraw/zinc/78/96/62/822789662.db2.gz SYLYLRALWSFANP-HNNXBMFYSA-N 1 1 376.522 4.076 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185488604 822790031 /nfs/dbraw/zinc/79/00/31/822790031.db2.gz HIAUDFCYBSPLKI-LJQANCHMSA-N 1 1 380.532 4.429 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000185492837 822790298 /nfs/dbraw/zinc/79/02/98/822790298.db2.gz TXLXPOHMAOKDRP-CQSZACIVSA-N 1 1 388.924 4.330 20 0 GIADMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000185496320 822790805 /nfs/dbraw/zinc/79/08/05/822790805.db2.gz LWZBGXDVRIKYDR-LJQANCHMSA-N 1 1 397.588 4.253 20 0 GIADMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000052161912 822791724 /nfs/dbraw/zinc/79/17/24/822791724.db2.gz LDQSOPIIPOVCAW-OAHLLOKOSA-N 1 1 385.895 4.098 20 0 GIADMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000052161912 822791727 /nfs/dbraw/zinc/79/17/27/822791727.db2.gz LDQSOPIIPOVCAW-OAHLLOKOSA-N 1 1 385.895 4.098 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2cccc(Cl)c2)c1OC ZINC000052162264 822791750 /nfs/dbraw/zinc/79/17/50/822791750.db2.gz ZTCGYQQGDHERKX-OAHLLOKOSA-N 1 1 390.911 4.009 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2cccc(Cl)c2)c1OC ZINC000052162264 822791752 /nfs/dbraw/zinc/79/17/52/822791752.db2.gz ZTCGYQQGDHERKX-OAHLLOKOSA-N 1 1 390.911 4.009 20 0 GIADMO COc1ccc(C[NH2+]Cc2nccn2CC(C)C)cc1OCc1ccccc1 ZINC000174454511 822792283 /nfs/dbraw/zinc/79/22/83/822792283.db2.gz DWPFVVJPFNHJGN-UHFFFAOYSA-N 1 1 379.504 4.417 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000052208369 822793057 /nfs/dbraw/zinc/79/30/57/822793057.db2.gz IEMBCKLLEPYJHW-UHFFFAOYSA-N 1 1 399.551 4.384 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(Cc2nc(-c3ccc(OCC)cc3)no2)CC1 ZINC000052209144 822793124 /nfs/dbraw/zinc/79/31/24/822793124.db2.gz VLSRLMQSODFWEC-UHFFFAOYSA-N 1 1 386.540 4.079 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)[C@@H](C)c2cccs2)c(OC)c1 ZINC000052283244 822795656 /nfs/dbraw/zinc/79/56/56/822795656.db2.gz MQUJVONTRYOUCQ-MAUKXSAKSA-N 1 1 388.533 4.122 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)[C@@H](C)c2cccs2)c(OC)c1 ZINC000052283244 822795657 /nfs/dbraw/zinc/79/56/57/822795657.db2.gz MQUJVONTRYOUCQ-MAUKXSAKSA-N 1 1 388.533 4.122 20 0 GIADMO C[C@H](c1cccs1)[N@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000052283331 822795680 /nfs/dbraw/zinc/79/56/80/822795680.db2.gz LYNBQOMEIHDOGX-QGZVFWFLSA-N 1 1 398.528 4.367 20 0 GIADMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)NCc1cccc(COCc2ccco2)c1 ZINC000052283331 822795681 /nfs/dbraw/zinc/79/56/81/822795681.db2.gz LYNBQOMEIHDOGX-QGZVFWFLSA-N 1 1 398.528 4.367 20 0 GIADMO COc1cc(C)c([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000052302466 822795807 /nfs/dbraw/zinc/79/58/07/822795807.db2.gz JTPJMWXLKQMLIL-HOTGVXAUSA-N 1 1 388.483 4.022 20 0 GIADMO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000052302466 822795808 /nfs/dbraw/zinc/79/58/08/822795808.db2.gz JTPJMWXLKQMLIL-HOTGVXAUSA-N 1 1 388.483 4.022 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000174490512 822796220 /nfs/dbraw/zinc/79/62/20/822796220.db2.gz JQMSKYQUMDFCDO-SFHVURJKSA-N 1 1 386.923 4.333 20 0 GIADMO C[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000456305079 822796372 /nfs/dbraw/zinc/79/63/72/822796372.db2.gz KWYBVSVTXSBWBR-IBGZPJMESA-N 1 1 375.516 4.081 20 0 GIADMO C[C@@H]1CN(C(=O)CCc2ccc3ccccc3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456311028 822797032 /nfs/dbraw/zinc/79/70/32/822797032.db2.gz ROQWQZLBCJBLNA-FQEVSTJZSA-N 1 1 387.527 4.148 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2OC(F)F)C1 ZINC000174497637 822797117 /nfs/dbraw/zinc/79/71/17/822797117.db2.gz JAINMLZWTHDFHO-HOTGVXAUSA-N 1 1 381.467 4.406 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000174501239 822797504 /nfs/dbraw/zinc/79/75/04/822797504.db2.gz XGJUWBSYUVXCFZ-ZDUSSCGKSA-N 1 1 375.365 4.027 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456321092 822798226 /nfs/dbraw/zinc/79/82/26/822798226.db2.gz PECNTGXJODBIRW-MQVJKMGUSA-N 1 1 375.925 4.127 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)C1 ZINC000174506213 822798272 /nfs/dbraw/zinc/79/82/72/822798272.db2.gz ITMKKYDNARHNDI-GOSISDBHSA-N 1 1 392.499 4.426 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000185581970 822798822 /nfs/dbraw/zinc/79/88/22/822798822.db2.gz KRAIXXNHCBCMBV-IBGZPJMESA-N 1 1 382.504 4.214 20 0 GIADMO COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000052432230 822799487 /nfs/dbraw/zinc/79/94/87/822799487.db2.gz MEAWBTLQJJUXPY-YLJYHZDGSA-N 1 1 382.504 4.027 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c(OC)c1 ZINC000052431943 822799507 /nfs/dbraw/zinc/79/95/07/822799507.db2.gz OQXIBCZIPWPNQU-FGZHOGPDSA-N 1 1 394.515 4.204 20 0 GIADMO C[N@@H+](CCNC(=O)Nc1cccc(Oc2ccccn2)c1)Cc1ccccc1 ZINC000174515350 822799808 /nfs/dbraw/zinc/79/98/08/822799808.db2.gz FVGQQAUDMZDHFQ-UHFFFAOYSA-N 1 1 376.460 4.127 20 0 GIADMO CC(C)(CNC(=O)CCCCC(=O)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000052530058 822802817 /nfs/dbraw/zinc/80/28/17/822802817.db2.gz WOQQVAQFUICVRK-UHFFFAOYSA-N 1 1 392.543 4.383 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)C1 ZINC000174542694 822803063 /nfs/dbraw/zinc/80/30/63/822803063.db2.gz SHJQYQWQFZVWCP-MRXNPFEDSA-N 1 1 387.549 4.011 20 0 GIADMO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1c(Cl)ccc2cccnc21 ZINC000052561182 822803746 /nfs/dbraw/zinc/80/37/46/822803746.db2.gz CGKHDUYKIHPPPO-UHFFFAOYSA-N 1 1 379.891 4.412 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1c(Cl)ccc2cccnc21 ZINC000052561182 822803748 /nfs/dbraw/zinc/80/37/48/822803748.db2.gz CGKHDUYKIHPPPO-UHFFFAOYSA-N 1 1 379.891 4.412 20 0 GIADMO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)no1 ZINC000185636939 822805072 /nfs/dbraw/zinc/80/50/72/822805072.db2.gz NRIZOLLIESLOFI-OAHLLOKOSA-N 1 1 396.260 4.050 20 0 GIADMO Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)no1 ZINC000185636939 822805075 /nfs/dbraw/zinc/80/50/75/822805075.db2.gz NRIZOLLIESLOFI-OAHLLOKOSA-N 1 1 396.260 4.050 20 0 GIADMO COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccs3)oc2C)cc1 ZINC000185643465 822806096 /nfs/dbraw/zinc/80/60/96/822806096.db2.gz MPKUIQVWMVELBO-CYBMUJFWSA-N 1 1 386.473 4.114 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N3CC[N@H+](C)CC34CCCCC4)o2)cc1 ZINC000174571576 822806523 /nfs/dbraw/zinc/80/65/23/822806523.db2.gz VLIDBWXEHWEGGB-UHFFFAOYSA-N 1 1 381.520 4.060 20 0 GIADMO CC(C)c1ncsc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000456444383 822807467 /nfs/dbraw/zinc/80/74/67/822807467.db2.gz WCPHNNZPZXWJAB-HNNXBMFYSA-N 1 1 379.476 4.362 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000052710454 822807907 /nfs/dbraw/zinc/80/79/07/822807907.db2.gz ATPJVJFVJDONRH-UHFFFAOYSA-N 1 1 379.548 4.482 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000052710454 822807909 /nfs/dbraw/zinc/80/79/09/822807909.db2.gz ATPJVJFVJDONRH-UHFFFAOYSA-N 1 1 379.548 4.482 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1F ZINC000052712397 822808166 /nfs/dbraw/zinc/80/81/66/822808166.db2.gz ZGUNBFPXZPXUFG-QWRGUYRKSA-N 1 1 375.469 4.161 20 0 GIADMO COC(=O)COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000185666227 822808282 /nfs/dbraw/zinc/80/82/82/822808282.db2.gz AXTQPIHDCKGOCV-HOTGVXAUSA-N 1 1 395.459 4.009 20 0 GIADMO C[N@@H+](CCSc1nnc(C2CC2)n1Cc1ccco1)Cc1ccc(F)cc1 ZINC000185682667 822809767 /nfs/dbraw/zinc/80/97/67/822809767.db2.gz YKXXVERGQMXZBK-UHFFFAOYSA-N 1 1 386.496 4.160 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]([C@@H](C)c3ncc(-c4ccccc4)o3)C2)nc1 ZINC000174605621 822811303 /nfs/dbraw/zinc/81/13/03/822811303.db2.gz XBTGILMWNRQEPA-PKOBYXMFSA-N 1 1 390.487 4.457 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2csc3ccccc23)c1 ZINC000052806106 822811616 /nfs/dbraw/zinc/81/16/16/822811616.db2.gz BGCDMEDCVHKEJN-CQSZACIVSA-N 1 1 381.501 4.319 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2csc3ccccc23)c1 ZINC000052806106 822811618 /nfs/dbraw/zinc/81/16/18/822811618.db2.gz BGCDMEDCVHKEJN-CQSZACIVSA-N 1 1 381.501 4.319 20 0 GIADMO COC(=O)COc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000185701696 822811707 /nfs/dbraw/zinc/81/17/07/822811707.db2.gz NRYBTSFNLPIABV-HZPDHXFCSA-N 1 1 380.444 4.305 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(-c4nccs4)cc3)CC2)[nH+]c1 ZINC000174615027 822812833 /nfs/dbraw/zinc/81/28/33/822812833.db2.gz XNNKSZKKYYADIQ-UHFFFAOYSA-N 1 1 393.516 4.304 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)n1 ZINC000052863712 822813386 /nfs/dbraw/zinc/81/33/86/822813386.db2.gz FDBIQLZCKXPIFR-IBGZPJMESA-N 1 1 376.460 4.010 20 0 GIADMO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000052871064 822813507 /nfs/dbraw/zinc/81/35/07/822813507.db2.gz RMDFRBSDAHGLBH-UWJYYQICSA-N 1 1 395.503 4.210 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)cc1)C1CC1 ZINC000456539193 822814087 /nfs/dbraw/zinc/81/40/87/822814087.db2.gz OFGNMGDBFOYYRM-UYAOXDASSA-N 1 1 384.545 4.383 20 0 GIADMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000185722610 822814358 /nfs/dbraw/zinc/81/43/58/822814358.db2.gz QXZDEHOIYQIBEP-HRCADAONSA-N 1 1 397.485 4.275 20 0 GIADMO CCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174632283 822815060 /nfs/dbraw/zinc/81/50/60/822815060.db2.gz ZSKPFJAISBMOMY-QHCPKHFHSA-N 1 1 395.524 4.368 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2cnn(C(C)C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174634869 822815522 /nfs/dbraw/zinc/81/55/22/822815522.db2.gz DOOOEFFRTLSJSY-QFIPXVFZSA-N 1 1 397.544 4.055 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2cnn(C(C)C)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174634881 822815532 /nfs/dbraw/zinc/81/55/32/822815532.db2.gz DOOOEFFRTLSJSY-JOCHJYFZSA-N 1 1 397.544 4.055 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000174635737 822815696 /nfs/dbraw/zinc/81/56/96/822815696.db2.gz QQYBOFXNCLFLBJ-CVEARBPZSA-N 1 1 375.925 4.081 20 0 GIADMO O=C(c1ccc(-c2cncnc2)cc1F)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000185736289 822815965 /nfs/dbraw/zinc/81/59/65/822815965.db2.gz CIKDHFCYUVODGW-UHFFFAOYSA-N 1 1 396.510 4.011 20 0 GIADMO C[C@H](NCC(=O)Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185739647 822816483 /nfs/dbraw/zinc/81/64/83/822816483.db2.gz BXIYCHGAOLLKOI-UONOGXRCSA-N 1 1 384.351 4.175 20 0 GIADMO CCC[C@H](NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185745257 822816943 /nfs/dbraw/zinc/81/69/43/822816943.db2.gz 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397.466 4.394 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(COC)c1 ZINC000174865365 822848585 /nfs/dbraw/zinc/84/85/85/822848585.db2.gz GFUYMZPCCDIKLA-NRFANRHFSA-N 1 1 381.520 4.209 20 0 GIADMO CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000053809692 822848915 /nfs/dbraw/zinc/84/89/15/822848915.db2.gz HZMUVLPKAYNSOF-OAHLLOKOSA-N 1 1 383.467 4.268 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457067412 822849717 /nfs/dbraw/zinc/84/97/17/822849717.db2.gz CBKLOBWPMKSWGJ-UHFFFAOYSA-N 1 1 379.863 4.047 20 0 GIADMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1C ZINC000053844437 822850480 /nfs/dbraw/zinc/85/04/80/822850480.db2.gz RWDDBZCYKSNATK-UHFFFAOYSA-N 1 1 389.499 4.045 20 0 GIADMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1C ZINC000053844437 822850482 /nfs/dbraw/zinc/85/04/82/822850482.db2.gz RWDDBZCYKSNATK-UHFFFAOYSA-N 1 1 389.499 4.045 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 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MDPANQKIIXNUFP-HKUYNNGSSA-N 1 1 378.520 4.327 20 0 GIADMO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)c21 ZINC000457122549 822855375 /nfs/dbraw/zinc/85/53/75/822855375.db2.gz OUCFXWQCPXHEDJ-HNNXBMFYSA-N 1 1 396.491 4.161 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2sccc2OC)CC1 ZINC000186154507 822856384 /nfs/dbraw/zinc/85/63/84/822856384.db2.gz RNKKMNXJVSUIOL-JKSUJKDBSA-N 1 1 391.556 4.450 20 0 GIADMO C[N@@H+](CCCCNC(=O)c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000457162468 822858273 /nfs/dbraw/zinc/85/82/73/822858273.db2.gz FWFDSHLJTSEHMT-UHFFFAOYSA-N 1 1 393.247 4.072 20 0 GIADMO CSCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000186177499 822858272 /nfs/dbraw/zinc/85/82/72/822858272.db2.gz IMSMFIBAIXZUBO-UYAOXDASSA-N 1 1 377.598 4.214 20 0 GIADMO COc1cccc(OCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000054010808 822858534 /nfs/dbraw/zinc/85/85/34/822858534.db2.gz QBCQTBUXQXXAHL-UHFFFAOYSA-N 1 1 379.460 4.081 20 0 GIADMO C[N@@H+](CCCCNC(=O)C(C)(C)c1csc(-c2ccccc2F)n1)C1CC1 ZINC000457168020 822858545 /nfs/dbraw/zinc/85/85/45/822858545.db2.gz NDGPRLUTAJKTCG-UHFFFAOYSA-N 1 1 389.540 4.217 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc(C[S@](C)=O)c2)c1 ZINC000054011351 822858674 /nfs/dbraw/zinc/85/86/74/822858674.db2.gz HIMMCGAUHULVMR-MUUNZHRXSA-N 1 1 395.528 4.186 20 0 GIADMO C[N@@H+](CCCCNC(=O)CCc1cc(Cl)ccc1Br)C1CC1 ZINC000457175264 822859105 /nfs/dbraw/zinc/85/91/05/822859105.db2.gz XKFXKRYRFJHCGO-UHFFFAOYSA-N 1 1 387.749 4.026 20 0 GIADMO C[N@@H+](CCCCNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)C1CC1 ZINC000457202217 822860434 /nfs/dbraw/zinc/86/04/34/822860434.db2.gz NFWOKFOGZBQTMC-MSOLQXFVSA-N 1 1 383.561 4.337 20 0 GIADMO O=C(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000186204500 822860794 /nfs/dbraw/zinc/86/07/94/822860794.db2.gz JVDRNGRNOWTPNQ-SJCJKPOMSA-N 1 1 386.845 4.448 20 0 GIADMO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000054122206 822863035 /nfs/dbraw/zinc/86/30/35/822863035.db2.gz OIDVSLXJCCIAOH-DYESRHJHSA-N 1 1 384.495 4.209 20 0 GIADMO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000054122206 822863039 /nfs/dbraw/zinc/86/30/39/822863039.db2.gz OIDVSLXJCCIAOH-DYESRHJHSA-N 1 1 384.495 4.209 20 0 GIADMO O=C(c1ccc2ccccc2n1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122492 822863212 /nfs/dbraw/zinc/86/32/12/822863212.db2.gz REUROJZMRNTOBW-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1ccc2ccccc2n1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122492 822863216 /nfs/dbraw/zinc/86/32/16/822863216.db2.gz REUROJZMRNTOBW-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000054139034 822863847 /nfs/dbraw/zinc/86/38/47/822863847.db2.gz VIICEXAGTAPNAK-UHFFFAOYSA-N 1 1 378.472 4.177 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186248512 822864593 /nfs/dbraw/zinc/86/45/93/822864593.db2.gz VINRLQRPNZRRAA-INIZCTEOSA-N 1 1 378.476 4.105 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCc1ccsc1 ZINC000174987896 822864627 /nfs/dbraw/zinc/86/46/27/822864627.db2.gz ZJFJOEJFUVZDGH-UHFFFAOYSA-N 1 1 383.517 4.015 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCc1ccsc1 ZINC000174987896 822864628 /nfs/dbraw/zinc/86/46/28/822864628.db2.gz ZJFJOEJFUVZDGH-UHFFFAOYSA-N 1 1 383.517 4.015 20 0 GIADMO CC1(C)OCc2cc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)ccc2O1 ZINC000186251615 822865083 /nfs/dbraw/zinc/86/50/83/822865083.db2.gz SHCBDGCSGAEDLE-SFHVURJKSA-N 1 1 396.535 4.029 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000186252651 822865242 /nfs/dbraw/zinc/86/52/42/822865242.db2.gz KAMBYAUTMYGSNS-UHFFFAOYSA-N 1 1 391.556 4.458 20 0 GIADMO CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cs1 ZINC000186254743 822865571 /nfs/dbraw/zinc/86/55/71/822865571.db2.gz RQGHSQDFNFOATA-LSDHHAIUSA-N 1 1 387.549 4.336 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(F)c(Br)c2)C2CC2)cc1 ZINC000054174022 822865960 /nfs/dbraw/zinc/86/59/60/822865960.db2.gz HXEGZASDXXIJDI-UHFFFAOYSA-N 1 1 391.284 4.112 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000175007475 822866352 /nfs/dbraw/zinc/86/63/52/822866352.db2.gz KEBIFEZGXQDCJE-HNNXBMFYSA-N 1 1 375.563 4.100 20 0 GIADMO CC(C)(C)[C@H](NC(=O)C[NH2+]C1(c2nccs2)CCCC1)c1cccs1 ZINC000175014612 822867479 /nfs/dbraw/zinc/86/74/79/822867479.db2.gz HUWDNZSXFYJSRH-MRXNPFEDSA-N 1 1 377.579 4.467 20 0 GIADMO C[C@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[N@H+](C)Cc1ccccc1 ZINC000457332897 822867566 /nfs/dbraw/zinc/86/75/66/822867566.db2.gz TVOROHIBRBGGME-OAHLLOKOSA-N 1 1 391.437 4.024 20 0 GIADMO C[C@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[N@@H+](C)Cc1ccccc1 ZINC000457332897 822867568 /nfs/dbraw/zinc/86/75/68/822867568.db2.gz TVOROHIBRBGGME-OAHLLOKOSA-N 1 1 391.437 4.024 20 0 GIADMO O=C(C[NH2+]C1(c2nccs2)CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000175015082 822867648 /nfs/dbraw/zinc/86/76/48/822867648.db2.gz OHHZITVEEFDVOL-UHFFFAOYSA-N 1 1 385.411 4.039 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3coc(-c4cccc(F)c4)n3)C2)n1 ZINC000054205140 822868403 /nfs/dbraw/zinc/86/84/03/822868403.db2.gz WFYQDWFEKNCTES-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C2)n1 ZINC000054205140 822868405 /nfs/dbraw/zinc/86/84/05/822868405.db2.gz WFYQDWFEKNCTES-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000457352012 822869587 /nfs/dbraw/zinc/86/95/87/822869587.db2.gz DSESBBILJKXFKN-LJQANCHMSA-N 1 1 397.910 4.040 20 0 GIADMO COc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1OC(C)C ZINC000054226545 822869785 /nfs/dbraw/zinc/86/97/85/822869785.db2.gz XYLLYPACECDWPH-PXNSSMCTSA-N 1 1 382.504 4.048 20 0 GIADMO Cc1nn(Cc2ccccc2Cl)c(C)c1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000569014690 822870001 /nfs/dbraw/zinc/87/00/01/822870001.db2.gz LNNIVUZADOFASW-QFIPXVFZSA-N 1 1 386.971 4.119 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCc1cccc(F)c1 ZINC000175029325 822870789 /nfs/dbraw/zinc/87/07/89/822870789.db2.gz DBVVCNLNJITARG-UHFFFAOYSA-N 1 1 381.451 4.050 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCc1cccc(F)c1 ZINC000175029325 822870790 /nfs/dbraw/zinc/87/07/90/822870790.db2.gz DBVVCNLNJITARG-UHFFFAOYSA-N 1 1 381.451 4.050 20 0 GIADMO O=c1[nH]c(CC[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)nc2ccccc21 ZINC000054271549 822872301 /nfs/dbraw/zinc/87/23/01/822872301.db2.gz ZWDDBRCRNXEMQQ-GOSISDBHSA-N 1 1 398.304 4.065 20 0 GIADMO CCOC(=O)c1cc2cc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2s1 ZINC000175046289 822873249 /nfs/dbraw/zinc/87/32/49/822873249.db2.gz UNOOSUFCDDZJKM-CZUORRHYSA-N 1 1 389.521 4.024 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000569047073 822873324 /nfs/dbraw/zinc/87/33/24/822873324.db2.gz NPDLRGCABHQJDJ-UYAOXDASSA-N 1 1 385.504 4.325 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000054287644 822873401 /nfs/dbraw/zinc/87/34/01/822873401.db2.gz CUHPLFCHLYILNT-HNNXBMFYSA-N 1 1 388.943 4.074 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000054295821 822873469 /nfs/dbraw/zinc/87/34/69/822873469.db2.gz VRHCPQZUYZBDKN-QZTJIDSGSA-N 1 1 396.506 4.295 20 0 GIADMO O=S1(=O)CC[C@H]([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c2ccccc21 ZINC000186309634 822874270 /nfs/dbraw/zinc/87/42/70/822874270.db2.gz LXKUICPYVHEQOW-SJORKVTESA-N 1 1 377.893 4.062 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000457436571 822875033 /nfs/dbraw/zinc/87/50/33/822875033.db2.gz GWCCUDBMANEEDS-OAHLLOKOSA-N 1 1 393.350 4.213 20 0 GIADMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCCc1cnn(C)c1)CC2 ZINC000054316469 822875789 /nfs/dbraw/zinc/87/57/89/822875789.db2.gz GLWDRNVKOSJOGE-XMMPIXPASA-N 1 1 391.515 4.018 20 0 GIADMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000569068190 822876266 /nfs/dbraw/zinc/87/62/66/822876266.db2.gz IGKXFGJOXCZLIB-OAQYLSRUSA-N 1 1 388.533 4.230 20 0 GIADMO CCN(C(=O)c1cnc(-c2ccco2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186324912 822876251 /nfs/dbraw/zinc/87/62/51/822876251.db2.gz HLWMDSPJPZPJMN-QGZVFWFLSA-N 1 1 381.501 4.140 20 0 GIADMO CC(C)COC1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000054324173 822876414 /nfs/dbraw/zinc/87/64/14/822876414.db2.gz NHUSMWWCUXZLBF-UHFFFAOYSA-N 1 1 394.313 4.136 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000054322791 822876444 /nfs/dbraw/zinc/87/64/44/822876444.db2.gz POXBBYPIIHRZBL-KRWDZBQOSA-N 1 1 376.566 4.041 20 0 GIADMO CC(C)COC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000054325927 822876514 /nfs/dbraw/zinc/87/65/14/822876514.db2.gz FMPAKQPCWNONLN-UHFFFAOYSA-N 1 1 383.414 4.392 20 0 GIADMO CC[C@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1nc(C)cs1 ZINC000186330422 822876951 /nfs/dbraw/zinc/87/69/51/822876951.db2.gz JBESQFIMYYGPJT-RBUKOAKNSA-N 1 1 386.565 4.112 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@H](C)c1cccc(OC)c1 ZINC000054339831 822876981 /nfs/dbraw/zinc/87/69/81/822876981.db2.gz RWYPHPPFZYJEGO-MRXNPFEDSA-N 1 1 398.532 4.023 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@@H](C)c1cccc(OC)c1 ZINC000054339829 822877004 /nfs/dbraw/zinc/87/70/04/822877004.db2.gz RWYPHPPFZYJEGO-INIZCTEOSA-N 1 1 398.532 4.023 20 0 GIADMO CC[C@@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1nc(C)cs1 ZINC000186330440 822877059 /nfs/dbraw/zinc/87/70/59/822877059.db2.gz JBESQFIMYYGPJT-RTBURBONSA-N 1 1 386.565 4.112 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000569079651 822877780 /nfs/dbraw/zinc/87/77/80/822877780.db2.gz UWECOZYWLZCMIS-ZHRRBRCNSA-N 1 1 387.499 4.324 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000569079651 822877784 /nfs/dbraw/zinc/87/77/84/822877784.db2.gz UWECOZYWLZCMIS-ZHRRBRCNSA-N 1 1 387.499 4.324 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000054352447 822877833 /nfs/dbraw/zinc/87/78/33/822877833.db2.gz BFBYZFRDGCVSSG-UHFFFAOYSA-N 1 1 389.455 4.337 20 0 GIADMO CCN(C(=O)c1cc(Br)co1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000457492795 822881328 /nfs/dbraw/zinc/88/13/28/822881328.db2.gz PPECIZCRAQGJGI-WMLDXEAASA-N 1 1 391.309 4.340 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000054396708 822881761 /nfs/dbraw/zinc/88/17/61/822881761.db2.gz OAJRCOAYIGMFHB-HNNXBMFYSA-N 1 1 399.922 4.206 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000054396708 822881763 /nfs/dbraw/zinc/88/17/63/822881763.db2.gz OAJRCOAYIGMFHB-HNNXBMFYSA-N 1 1 399.922 4.206 20 0 GIADMO COc1ccc2[nH]c(C(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccc(C)s4)C3)cc2c1 ZINC000569128376 822882152 /nfs/dbraw/zinc/88/21/52/822882152.db2.gz FGUXHROJKHUDHM-INIZCTEOSA-N 1 1 397.544 4.141 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(O)ccc3Cl)C2)s1 ZINC000569130804 822882472 /nfs/dbraw/zinc/88/24/72/822882472.db2.gz RFYUNDMTBHWZKB-AWEZNQCLSA-N 1 1 378.925 4.010 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000054412225 822883420 /nfs/dbraw/zinc/88/34/20/822883420.db2.gz GLVKKMMAXXJHAA-INIZCTEOSA-N 1 1 388.556 4.222 20 0 GIADMO COc1ccccc1C[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000054424975 822883843 /nfs/dbraw/zinc/88/38/43/822883843.db2.gz LOGFDWWOURPGQO-UHFFFAOYSA-N 1 1 395.272 4.057 20 0 GIADMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000054427489 822884136 /nfs/dbraw/zinc/88/41/36/822884136.db2.gz RFYMTSYYVTZZSL-ZDUSSCGKSA-N 1 1 383.473 4.047 20 0 GIADMO O=C(CC[N@@H+](Cc1ccco1)Cc1cccs1)Nc1ccc2c(c1)OCO2 ZINC000054427407 822884266 /nfs/dbraw/zinc/88/42/66/822884266.db2.gz XZFNLEHOZMDGQR-UHFFFAOYSA-N 1 1 384.457 4.101 20 0 GIADMO O=C(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000054429215 822884490 /nfs/dbraw/zinc/88/44/90/822884490.db2.gz AIAGKEQBZZYSMH-HSZRJFAPSA-N 1 1 376.500 4.065 20 0 GIADMO Cc1ccncc1CCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000569155616 822885297 /nfs/dbraw/zinc/88/52/97/822885297.db2.gz JDHJFFBHMQICGE-LJQANCHMSA-N 1 1 380.410 4.295 20 0 GIADMO Cc1ccncc1CCC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000569155616 822885302 /nfs/dbraw/zinc/88/53/02/822885302.db2.gz JDHJFFBHMQICGE-LJQANCHMSA-N 1 1 380.410 4.295 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(OCc3cccnc3)c2)C1 ZINC000054434885 822885430 /nfs/dbraw/zinc/88/54/30/822885430.db2.gz FXRBOVSCDIYETM-SFHVURJKSA-N 1 1 396.535 4.293 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)C1 ZINC000457541854 822888147 /nfs/dbraw/zinc/88/81/47/822888147.db2.gz LDNBPNFBBMSHHH-IBGZPJMESA-N 1 1 397.519 4.187 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000175129048 822888507 /nfs/dbraw/zinc/88/85/07/822888507.db2.gz RPYYSZXEWXCEDI-GOSISDBHSA-N 1 1 394.519 4.163 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCCc2ccc(Cl)s2)[C@@H]1c1cccs1 ZINC000175151175 822892831 /nfs/dbraw/zinc/89/28/31/822892831.db2.gz RXJONTBSDMUWDP-CXAGYDPISA-N 1 1 397.997 4.388 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[C@@H](C)C1 ZINC000457583434 822894449 /nfs/dbraw/zinc/89/44/49/822894449.db2.gz AECNJQZXIJJJAJ-MGPUTAFESA-N 1 1 387.911 4.330 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cs1)C1CC1 ZINC000186437404 822895159 /nfs/dbraw/zinc/89/51/59/822895159.db2.gz RIVDDMQDEGWHGU-INIZCTEOSA-N 1 1 383.439 4.094 20 0 GIADMO C[C@H](C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F)C1CCC1 ZINC000457591480 822895537 /nfs/dbraw/zinc/89/55/37/822895537.db2.gz BUDPJWCGAKTMES-WMZOPIPTSA-N 1 1 382.470 4.336 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000175163317 822895608 /nfs/dbraw/zinc/89/56/08/822895608.db2.gz MOJAMUSOKHHYFC-FQEVSTJZSA-N 1 1 395.522 4.021 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Br)co1 ZINC000457604080 822896564 /nfs/dbraw/zinc/89/65/64/822896564.db2.gz GSTZRGRHRLTEJW-MRXNPFEDSA-N 1 1 391.309 4.026 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCCCO2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000457609183 822897014 /nfs/dbraw/zinc/89/70/14/822897014.db2.gz XUGLLLXHHQKWMW-YVWKXTFCSA-N 1 1 398.469 4.164 20 0 GIADMO CC[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000054606738 822898475 /nfs/dbraw/zinc/89/84/75/822898475.db2.gz QVXHRXFPOSJCRH-GOSISDBHSA-N 1 1 383.883 4.180 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](CC(C)C)c1cccs1 ZINC000054605682 822898516 /nfs/dbraw/zinc/89/85/16/822898516.db2.gz DAQBHJXUKPWNIP-QGZVFWFLSA-N 1 1 383.521 4.224 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000054608999 822898695 /nfs/dbraw/zinc/89/86/95/822898695.db2.gz DRJKSVFKZSVUMB-OAHLLOKOSA-N 1 1 389.459 4.191 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000054609249 822898755 /nfs/dbraw/zinc/89/87/55/822898755.db2.gz ANLNZSXLBFCVNG-IBGZPJMESA-N 1 1 395.894 4.276 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000054607589 822898789 /nfs/dbraw/zinc/89/87/89/822898789.db2.gz NNKLHAQIBOHATC-MRXNPFEDSA-N 1 1 389.503 4.015 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000054609833 822898904 /nfs/dbraw/zinc/89/89/04/822898904.db2.gz XUFGMCVLNMYAID-AWEZNQCLSA-N 1 1 383.883 4.132 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000054610518 822898985 /nfs/dbraw/zinc/89/89/85/822898985.db2.gz JJLMQRKCMFBDEP-OAHLLOKOSA-N 1 1 389.459 4.225 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000054620684 822899522 /nfs/dbraw/zinc/89/95/22/822899522.db2.gz IVZUBSZVHZSMGZ-ZDUSSCGKSA-N 1 1 380.473 4.127 20 0 GIADMO CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000175182626 822899594 /nfs/dbraw/zinc/89/95/94/822899594.db2.gz XQVPKYYROQIIDB-MRXNPFEDSA-N 1 1 392.931 4.075 20 0 GIADMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccc1 ZINC000569276018 822899856 /nfs/dbraw/zinc/89/98/56/822899856.db2.gz JOIYIPRUFRSUBG-KBXCAEBGSA-N 1 1 385.451 4.309 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)C2CC2)n1 ZINC000186466993 822900008 /nfs/dbraw/zinc/90/00/08/822900008.db2.gz RTTFPBLFGOFWKR-GDBMZVCRSA-N 1 1 395.450 4.317 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)C2CC2)cc1 ZINC000186466251 822900022 /nfs/dbraw/zinc/90/00/22/822900022.db2.gz WNYXNFIGWWUZDH-HXUWFJFHSA-N 1 1 382.895 4.385 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2coc3ccc4ccccc4c23)cn1 ZINC000054626133 822900033 /nfs/dbraw/zinc/90/00/33/822900033.db2.gz LBCDFEIOKZKIEG-UHFFFAOYSA-N 1 1 396.450 4.334 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175190738 822901130 /nfs/dbraw/zinc/90/11/30/822901130.db2.gz TUGCVRWZGLHXGG-MJGOQNOKSA-N 1 1 399.510 4.059 20 0 GIADMO COCCOCc1ccc(C[N@@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC000569291145 822902348 /nfs/dbraw/zinc/90/23/48/822902348.db2.gz UTTKNJDCGCXKLF-UHFFFAOYSA-N 1 1 390.321 4.170 20 0 GIADMO COCCOCc1ccc(C[N@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC000569291145 822902353 /nfs/dbraw/zinc/90/23/53/822902353.db2.gz UTTKNJDCGCXKLF-UHFFFAOYSA-N 1 1 390.321 4.170 20 0 GIADMO Clc1ccc(Br)cc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186482093 822902475 /nfs/dbraw/zinc/90/24/75/822902475.db2.gz IXSALWIZXPDJKQ-UHFFFAOYSA-N 1 1 376.747 4.201 20 0 GIADMO Clc1ccc(Br)cc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186482093 822902478 /nfs/dbraw/zinc/90/24/78/822902478.db2.gz IXSALWIZXPDJKQ-UHFFFAOYSA-N 1 1 376.747 4.201 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2nc3ccccc3c(=O)n2C)cc1 ZINC000569293593 822903004 /nfs/dbraw/zinc/90/30/04/822903004.db2.gz KMTNYPCRGLBDSH-HSZRJFAPSA-N 1 1 399.494 4.016 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457664409 822903411 /nfs/dbraw/zinc/90/34/11/822903411.db2.gz IESBURXXECKMJO-UHFFFAOYSA-N 1 1 384.867 4.195 20 0 GIADMO FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)cc2)n1 ZINC000569296626 822903450 /nfs/dbraw/zinc/90/34/50/822903450.db2.gz CXSMAANBUIKTHS-INIZCTEOSA-N 1 1 395.816 4.188 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)C2)n1 ZINC000054677508 822905024 /nfs/dbraw/zinc/90/50/24/822905024.db2.gz NZRBMJMBOCAHEE-PZJWPPBQSA-N 1 1 390.487 4.246 20 0 GIADMO Cc1noc([C@H]2CCC[N@H+]([C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)C2)n1 ZINC000054677508 822905028 /nfs/dbraw/zinc/90/50/28/822905028.db2.gz NZRBMJMBOCAHEE-PZJWPPBQSA-N 1 1 390.487 4.246 20 0 GIADMO C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1 ZINC000569311240 822905639 /nfs/dbraw/zinc/90/56/39/822905639.db2.gz SOLKHXRIMHVZST-ROUUACIJSA-N 1 1 399.560 4.070 20 0 GIADMO C[C@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000569311240 822905642 /nfs/dbraw/zinc/90/56/42/822905642.db2.gz SOLKHXRIMHVZST-ROUUACIJSA-N 1 1 399.560 4.070 20 0 GIADMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cc(Br)ccc1[O-] ZINC000186518021 822907606 /nfs/dbraw/zinc/90/76/06/822907606.db2.gz GHXNIPUIXJFTMR-SOUVJXGZSA-N 1 1 381.358 4.458 20 0 GIADMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cc(Br)ccc1[O-] ZINC000186518021 822907608 /nfs/dbraw/zinc/90/76/08/822907608.db2.gz GHXNIPUIXJFTMR-SOUVJXGZSA-N 1 1 381.358 4.458 20 0 GIADMO C[C@H](NC(=O)Cc1ccccc1OC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000457694759 822907826 /nfs/dbraw/zinc/90/78/26/822907826.db2.gz JERGSKPIUANWSH-ICSRJNTNSA-N 1 1 384.564 4.320 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)s1 ZINC000457699716 822908270 /nfs/dbraw/zinc/90/82/70/822908270.db2.gz SSBFOCXGRDCCJL-UHFFFAOYSA-N 1 1 384.545 4.336 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000569342256 822909697 /nfs/dbraw/zinc/90/96/97/822909697.db2.gz DGYZHYCJJAYABB-NNWRFLSQSA-N 1 1 398.497 4.454 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(OC)ccc2Br)CC1 ZINC000054758922 822910610 /nfs/dbraw/zinc/91/06/10/822910610.db2.gz SQQUKDYXOXRXLU-UHFFFAOYSA-N 1 1 397.357 4.042 20 0 GIADMO CC(C)c1cccc(CC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)c1 ZINC000457728110 822911517 /nfs/dbraw/zinc/91/15/17/822911517.db2.gz JJPPUDMXDHABFL-HSZRJFAPSA-N 1 1 379.548 4.261 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000457754357 822914990 /nfs/dbraw/zinc/91/49/90/822914990.db2.gz PHWCEVAEWVEOJX-WBMJQRKESA-N 1 1 393.350 4.069 20 0 GIADMO CC[C@H](NC(=O)c1ccccc1)c1noc([C@H](c2ccccc2)[NH+](CC)CC)n1 ZINC000569390592 822915312 /nfs/dbraw/zinc/91/53/12/822915312.db2.gz KHJRZUMSVGFAOQ-PMACEKPBSA-N 1 1 392.503 4.382 20 0 GIADMO Cc1nc(-c2ccc([C@H](C)NC(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)cc2)cs1 ZINC000457772166 822917543 /nfs/dbraw/zinc/91/75/43/822917543.db2.gz JLSCPZCUHFNQTK-HNAYVOBHSA-N 1 1 386.565 4.304 20 0 GIADMO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3cncc(Br)c3)cc2)C1 ZINC000186589759 822918673 /nfs/dbraw/zinc/91/86/73/822918673.db2.gz CRMKRURLRCCOKA-MRXNPFEDSA-N 1 1 388.353 4.366 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3cncc(Br)c3)cc2)C1 ZINC000186589759 822918677 /nfs/dbraw/zinc/91/86/77/822918677.db2.gz CRMKRURLRCCOKA-MRXNPFEDSA-N 1 1 388.353 4.366 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000186591229 822919189 /nfs/dbraw/zinc/91/91/89/822919189.db2.gz HZUOWZGPZNMPMZ-MSOLQXFVSA-N 1 1 386.609 4.104 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1C ZINC000054886422 822919916 /nfs/dbraw/zinc/91/99/16/822919916.db2.gz WIXZNMMWDJEVBP-IBGZPJMESA-N 1 1 378.516 4.076 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000175272065 822921137 /nfs/dbraw/zinc/92/11/37/822921137.db2.gz VZCCNFBTEHFFNI-AGILITTLSA-N 1 1 392.543 4.169 20 0 GIADMO Cc1cccc(-c2nnc(N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)n2C(C)C)n1 ZINC000569428065 822921637 /nfs/dbraw/zinc/92/16/37/822921637.db2.gz BWSSRBYYPBEJDA-PMACEKPBSA-N 1 1 396.583 4.320 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000186603381 822922079 /nfs/dbraw/zinc/92/20/79/822922079.db2.gz QBZLWHBDUZHPHV-HZPDHXFCSA-N 1 1 389.531 4.018 20 0 GIADMO CC1(C)OCc2cc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)ccc2O1 ZINC000186603159 822922101 /nfs/dbraw/zinc/92/21/01/822922101.db2.gz ZWWLSYNAAKGAPN-SFHVURJKSA-N 1 1 380.488 4.182 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000175280907 822923382 /nfs/dbraw/zinc/92/33/82/822923382.db2.gz HFEFUSKRLJKLFF-LJQANCHMSA-N 1 1 399.604 4.354 20 0 GIADMO Cc1cccc(Oc2ccc(C(=O)N3CC[N@H+](C4CCC4)C[C@@H](C)C3)nc2)c1 ZINC000457826704 822923317 /nfs/dbraw/zinc/92/33/17/822923317.db2.gz ZMSSLHVNINLVRO-GOSISDBHSA-N 1 1 379.504 4.129 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N(Cc3ccc(C)c(C)c3)C3CC3)CC2)[nH+]c1 ZINC000175282714 822923530 /nfs/dbraw/zinc/92/35/30/822923530.db2.gz XRWGQIIFYDXHOU-UHFFFAOYSA-N 1 1 392.547 4.350 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000175285035 822924392 /nfs/dbraw/zinc/92/43/92/822924392.db2.gz BCAZXZPTYSXVDL-OAQYLSRUSA-N 1 1 389.543 4.389 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccs2)on1 ZINC000175285741 822924631 /nfs/dbraw/zinc/92/46/31/822924631.db2.gz FXIZNEQAYWLLGC-GOSISDBHSA-N 1 1 395.528 4.387 20 0 GIADMO C[C@@]1(NC(=O)Nc2nc(CC(F)(F)F)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000569460838 822925788 /nfs/dbraw/zinc/92/57/88/822925788.db2.gz KBPLUFLLPYUCGX-QGZVFWFLSA-N 1 1 398.454 4.034 20 0 GIADMO C[C@@H](NC(=S)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000054969830 822926123 /nfs/dbraw/zinc/92/61/23/822926123.db2.gz RQQJNGLRKIAWRS-OAHLLOKOSA-N 1 1 389.515 4.155 20 0 GIADMO CCOc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc(Cl)c1O ZINC000186631816 822926419 /nfs/dbraw/zinc/92/64/19/822926419.db2.gz GARWBQNGJTUDAM-UHFFFAOYSA-N 1 1 390.911 4.215 20 0 GIADMO CCCCOc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000457864729 822926624 /nfs/dbraw/zinc/92/66/24/822926624.db2.gz KBBVERBWEBSPIX-HKUYNNGSSA-N 1 1 391.556 4.059 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000569467222 822926777 /nfs/dbraw/zinc/92/67/77/822926777.db2.gz ZHGSOTYDKOZRCO-SJLPKXTDSA-N 1 1 378.476 4.156 20 0 GIADMO O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569471241 822927035 /nfs/dbraw/zinc/92/70/35/822927035.db2.gz FHVKCSPMBPMJQZ-PKOBYXMFSA-N 1 1 394.412 4.458 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=S)Nc2cccc(Br)c2)CC1 ZINC000054975273 822927303 /nfs/dbraw/zinc/92/73/03/822927303.db2.gz VOHHFSFDENRKFC-UHFFFAOYSA-N 1 1 384.387 4.198 20 0 GIADMO CC(C)Oc1ccccc1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175295488 822927390 /nfs/dbraw/zinc/92/73/90/822927390.db2.gz NXWNLTQSVGIUNV-OAQYLSRUSA-N 1 1 395.547 4.137 20 0 GIADMO CC[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000186637462 822927562 /nfs/dbraw/zinc/92/75/62/822927562.db2.gz WRNCLVLGLWVGOE-KNQAVFIVSA-N 1 1 381.451 4.161 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000054984847 822928538 /nfs/dbraw/zinc/92/85/38/822928538.db2.gz FQTAQRPMUBYBPI-UHFFFAOYSA-N 1 1 391.422 4.081 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000054993379 822929296 /nfs/dbraw/zinc/92/92/96/822929296.db2.gz RSIYMRNKCHQGKV-YADHBBJMSA-N 1 1 394.515 4.204 20 0 GIADMO S=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)Nc1ccccc1Cl ZINC000055005135 822930061 /nfs/dbraw/zinc/93/00/61/822930061.db2.gz KSPFWFYRUVPTLN-UHFFFAOYSA-N 1 1 375.925 4.024 20 0 GIADMO COc1cc(C)c([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC ZINC000186657185 822931013 /nfs/dbraw/zinc/93/10/13/822931013.db2.gz RJIJYRXBJREGEB-OYHNWAKOSA-N 1 1 383.467 4.325 20 0 GIADMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000055032533 822932471 /nfs/dbraw/zinc/93/24/71/822932471.db2.gz KVQRLMOQHKEFJR-UHFFFAOYSA-N 1 1 394.450 4.267 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cn1 ZINC000175352835 822942633 /nfs/dbraw/zinc/94/26/33/822942633.db2.gz SDBRSFCMERBLDR-BTYIYWSLSA-N 1 1 393.466 4.008 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc([C@@H]4C[C@@H]4C)o3)CC2)cc1 ZINC000055209914 822946098 /nfs/dbraw/zinc/94/60/98/822946098.db2.gz NINMCTBGDLQVRC-PGRDOPGGSA-N 1 1 396.531 4.079 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@H](C)Cc2cccc(F)c2)cc1F ZINC000457975819 822946746 /nfs/dbraw/zinc/94/67/46/822946746.db2.gz NHEYVMVVXRFSNU-OAHLLOKOSA-N 1 1 398.457 4.232 20 0 GIADMO CCOCc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175370188 822949203 /nfs/dbraw/zinc/94/92/03/822949203.db2.gz RBRXUMSZNGJYSS-XXBNENTESA-N 1 1 395.547 4.075 20 0 GIADMO CCc1nc(CC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000055281932 822949379 /nfs/dbraw/zinc/94/93/79/822949379.db2.gz NLSLMGXYJUTYBQ-CALCHBBNSA-N 1 1 385.577 4.042 20 0 GIADMO O=C(N[C@@H]1C[C@H]1c1ccccc1F)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000458002198 822949387 /nfs/dbraw/zinc/94/93/87/822949387.db2.gz JECXDQOYTDWVBF-NBHGPNQESA-N 1 1 381.495 4.305 20 0 GIADMO O=C(N[C@@H]1C[C@H]1c1ccccc1F)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000458002195 822949394 /nfs/dbraw/zinc/94/93/94/822949394.db2.gz JECXDQOYTDWVBF-LKUPVBHCSA-N 1 1 381.495 4.305 20 0 GIADMO Brc1ccc(-n2cc(C[NH2+]Cc3cnc(C4CC4)s3)cn2)cc1 ZINC000569671386 822953387 /nfs/dbraw/zinc/95/33/87/822953387.db2.gz MBBQUTRAACYBPQ-UHFFFAOYSA-N 1 1 389.322 4.259 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC(F)F ZINC000175388381 822955261 /nfs/dbraw/zinc/95/52/61/822955261.db2.gz WXTBALIYOSCEQX-NRRJATNASA-N 1 1 383.460 4.227 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c2ccccc2n1 ZINC000569691880 822955671 /nfs/dbraw/zinc/95/56/71/822955671.db2.gz IZTLAGOYHWTLCW-SFHVURJKSA-N 1 1 393.918 4.482 20 0 GIADMO Cc1cc2oc(=O)cc(C[N@H+]3CCSC4(CCOCC4)C3)c2cc1C(C)C ZINC000186804251 822958202 /nfs/dbraw/zinc/95/82/02/822958202.db2.gz PCCFUEZZWCHFNF-UHFFFAOYSA-N 1 1 387.545 4.323 20 0 GIADMO COC(=O)c1cc2cc(C[N@@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)ccc2o1 ZINC000175398575 822958940 /nfs/dbraw/zinc/95/89/40/822958940.db2.gz LROKOOCNVWDXIQ-ASHKIFAZSA-N 1 1 385.485 4.150 20 0 GIADMO C[C@@H]1CN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000569721804 822959166 /nfs/dbraw/zinc/95/91/66/822959166.db2.gz JJFRPYKOKWXSTA-HNNXBMFYSA-N 1 1 380.454 4.070 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186816601 822960175 /nfs/dbraw/zinc/96/01/75/822960175.db2.gz ADZGNRYUNHZUEL-SFHVURJKSA-N 1 1 396.556 4.279 20 0 GIADMO CC(C)(C)OCc1cc(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)no1 ZINC000186831937 822963666 /nfs/dbraw/zinc/96/36/66/822963666.db2.gz IMWCUGGVYITBAI-UHFFFAOYSA-N 1 1 391.943 4.397 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(Cl)nc1Cl ZINC000175416240 822963781 /nfs/dbraw/zinc/96/37/81/822963781.db2.gz XAMIXTGZSOTPKW-CQSZACIVSA-N 1 1 396.293 4.122 20 0 GIADMO CC(C)n1c2ccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2nc1C(F)(F)F ZINC000458162574 822963941 /nfs/dbraw/zinc/96/39/41/822963941.db2.gz IRXWGLUSCSYLSY-AWEZNQCLSA-N 1 1 396.457 4.098 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000175419174 822964317 /nfs/dbraw/zinc/96/43/17/822964317.db2.gz FNDCTXQNCDVMCA-JMQGSBJISA-N 1 1 398.572 4.243 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000175419174 822964319 /nfs/dbraw/zinc/96/43/19/822964319.db2.gz FNDCTXQNCDVMCA-JMQGSBJISA-N 1 1 398.572 4.243 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000458170622 822964872 /nfs/dbraw/zinc/96/48/72/822964872.db2.gz PGXPALZMYCBTIK-CTUHWIOQSA-N 1 1 392.543 4.217 20 0 GIADMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000175421090 822964906 /nfs/dbraw/zinc/96/49/06/822964906.db2.gz FHWATEATDPGAGP-ZBSNKRKSSA-N 1 1 396.915 4.238 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186840059 822965338 /nfs/dbraw/zinc/96/53/38/822965338.db2.gz OIONNEGOKIYTNQ-IRXDYDNUSA-N 1 1 376.566 4.125 20 0 GIADMO CCN(Cc1ccccc1Br)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000569837564 822974580 /nfs/dbraw/zinc/97/45/80/822974580.db2.gz ALFGOEACFAJGBP-JKSUJKDBSA-N 1 1 396.373 4.101 20 0 GIADMO CCCCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)cc1OC ZINC000569850215 822975894 /nfs/dbraw/zinc/97/58/94/822975894.db2.gz NYTUGUSHGPCPFZ-QHCPKHFHSA-N 1 1 379.504 4.487 20 0 GIADMO COc1ccc(-c2cnc(C[NH+]3CCC(O)(Cc4cccc(F)c4)CC3)o2)cc1 ZINC000186922832 822980611 /nfs/dbraw/zinc/98/06/11/822980611.db2.gz BOFXPEDCBLKXFL-UHFFFAOYSA-N 1 1 396.462 4.059 20 0 GIADMO C[C@@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000569887198 822980706 /nfs/dbraw/zinc/98/07/06/822980706.db2.gz YNWVOYOFWCLSMR-HNNXBMFYSA-N 1 1 388.433 4.258 20 0 GIADMO C[C@@H](C(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000569887198 822980707 /nfs/dbraw/zinc/98/07/07/822980707.db2.gz YNWVOYOFWCLSMR-HNNXBMFYSA-N 1 1 388.433 4.258 20 0 GIADMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000186924808 822980947 /nfs/dbraw/zinc/98/09/47/822980947.db2.gz OEJJYHDDPVAKBX-JOCHJYFZSA-N 1 1 388.515 4.302 20 0 GIADMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000186924808 822980948 /nfs/dbraw/zinc/98/09/48/822980948.db2.gz OEJJYHDDPVAKBX-JOCHJYFZSA-N 1 1 388.515 4.302 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000175490347 822981990 /nfs/dbraw/zinc/98/19/90/822981990.db2.gz TYIWEJWHCCBQIL-SFHVURJKSA-N 1 1 381.501 4.105 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)c2nc3ccccc3s2)cc1 ZINC000175490347 822981996 /nfs/dbraw/zinc/98/19/96/822981996.db2.gz TYIWEJWHCCBQIL-SFHVURJKSA-N 1 1 381.501 4.105 20 0 GIADMO CCN(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H](C)Cc1ccsc1 ZINC000186934846 822983231 /nfs/dbraw/zinc/98/32/31/822983231.db2.gz LYXUZKZPMZSYRL-SIKLNZKXSA-N 1 1 399.604 4.275 20 0 GIADMO Cc1cccc(NC(=O)C[N@@H+](C)CCCC(=O)Nc2c(C)cccc2C)c1C ZINC000175500161 822984325 /nfs/dbraw/zinc/98/43/25/822984325.db2.gz MUDWOMFXCGBNLB-UHFFFAOYSA-N 1 1 381.520 4.209 20 0 GIADMO CCN(CCc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175506241 822985559 /nfs/dbraw/zinc/98/55/59/822985559.db2.gz PEWIUBDKBMUUAI-CTNGQTDRSA-N 1 1 385.577 4.405 20 0 GIADMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(F)(c2ccccn2)CC1)c1cc2ccccc2o1 ZINC000569917849 822985763 /nfs/dbraw/zinc/98/57/63/822985763.db2.gz SXUPZFGUTQHNIS-SJORKVTESA-N 1 1 395.478 4.354 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Nc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000175518340 822989422 /nfs/dbraw/zinc/98/94/22/822989422.db2.gz OGKULHOOSAMSMO-SLYNCCJLSA-N 1 1 398.576 4.027 20 0 GIADMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+](CCCO)Cc1ccccn1 ZINC000569968475 822990968 /nfs/dbraw/zinc/99/09/68/822990968.db2.gz GQSYEBLXVKDTQA-UHFFFAOYSA-N 1 1 392.547 4.009 20 0 GIADMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000569968475 822990969 /nfs/dbraw/zinc/99/09/69/822990969.db2.gz GQSYEBLXVKDTQA-UHFFFAOYSA-N 1 1 392.547 4.009 20 0 GIADMO Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH2+]C[C@@](C)(F)C3)o2)cc1 ZINC000569972461 822991547 /nfs/dbraw/zinc/99/15/47/822991547.db2.gz BBSXYIRZHDQIMC-HSZRJFAPSA-N 1 1 393.462 4.091 20 0 GIADMO Cc1nc([C@H]2CCCN2C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cs1 ZINC000186982120 822991985 /nfs/dbraw/zinc/99/19/85/822991985.db2.gz OTCKJAYVAGJSRQ-OXJNMPFZSA-N 1 1 386.565 4.209 20 0 GIADMO Cc1nc(CCCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000175531905 822992176 /nfs/dbraw/zinc/99/21/76/822992176.db2.gz RUYZVBRVKWVLIZ-QGZVFWFLSA-N 1 1 385.577 4.323 20 0 GIADMO O=C(C1CCCCC1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533437 822992343 /nfs/dbraw/zinc/99/23/43/822992343.db2.gz GAVPKIOHUXEFGP-SFHVURJKSA-N 1 1 382.470 4.480 20 0 GIADMO CCN(C(=O)C[N@H+](C)[C@H](C)c1ccc(OC)cc1)c1nc2ccccc2s1 ZINC000175533273 822992362 /nfs/dbraw/zinc/99/23/62/822992362.db2.gz ISZDGZVEWDWYQU-OAHLLOKOSA-N 1 1 383.517 4.351 20 0 GIADMO CCN(C(=O)C[N@@H+](C)[C@H](C)c1ccc(OC)cc1)c1nc2ccccc2s1 ZINC000175533273 822992363 /nfs/dbraw/zinc/99/23/63/822992363.db2.gz ISZDGZVEWDWYQU-OAHLLOKOSA-N 1 1 383.517 4.351 20 0 GIADMO O=C(c1cc(Cl)c[nH]1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000175533741 822992608 /nfs/dbraw/zinc/99/26/08/822992608.db2.gz DCFBKVUFALDHAM-OAHLLOKOSA-N 1 1 399.844 4.195 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1ccccn1 ZINC000186999053 822994868 /nfs/dbraw/zinc/99/48/68/822994868.db2.gz KSMJZNYKWQKODJ-SECBINFHSA-N 1 1 385.103 4.040 20 0 GIADMO Clc1ccccc1-c1csc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1 ZINC000187002015 822995330 /nfs/dbraw/zinc/99/53/30/822995330.db2.gz OPVARHREROHWAU-CQSZACIVSA-N 1 1 399.951 4.381 20 0 GIADMO CC(C)Oc1c(F)cc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000570005514 822995491 /nfs/dbraw/zinc/99/54/91/822995491.db2.gz MMWIQLWUIYSFNJ-LJQANCHMSA-N 1 1 389.446 4.273 20 0 GIADMO CC(C)Oc1c(F)cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000570005514 822995493 /nfs/dbraw/zinc/99/54/93/822995493.db2.gz MMWIQLWUIYSFNJ-LJQANCHMSA-N 1 1 389.446 4.273 20 0 GIADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(CC(F)(F)F)cc1 ZINC000175555757 822996478 /nfs/dbraw/zinc/99/64/78/822996478.db2.gz KOJWYAYVIOGUGS-LJQANCHMSA-N 1 1 392.421 4.021 20 0 GIADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(CC(F)(F)F)cc1 ZINC000175555757 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ZINC000190232498 823553614 /nfs/dbraw/zinc/55/36/14/823553614.db2.gz STVHSOOSFPRISI-QHCPKHFHSA-N 1 1 385.552 4.298 20 0 GIADMO CC[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000460973589 823553715 /nfs/dbraw/zinc/55/37/15/823553715.db2.gz NIMSQVMNOAVHIE-IEGUWTFLSA-N 1 1 398.522 4.245 20 0 GIADMO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(F)c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123945401 823553986 /nfs/dbraw/zinc/55/39/86/823553986.db2.gz XDXMKGYUCMSQHO-SGTLLEGYSA-N 1 1 382.813 4.180 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(F)c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123945401 823553989 /nfs/dbraw/zinc/55/39/89/823553989.db2.gz XDXMKGYUCMSQHO-SGTLLEGYSA-N 1 1 382.813 4.180 20 0 GIADMO COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000123948543 823554304 /nfs/dbraw/zinc/55/43/04/823554304.db2.gz CCUQFRLYWORWSN-FOIQADDNSA-N 1 1 390.886 4.219 20 0 GIADMO Cc1nn(C)c2ncc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccccc3)cc12 ZINC000123962273 823555726 /nfs/dbraw/zinc/55/57/26/823555726.db2.gz MNWYURWGMJTRNB-UNMCSNQZSA-N 1 1 378.520 4.145 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000460983978 823555745 /nfs/dbraw/zinc/55/57/45/823555745.db2.gz VBFCKOZRKFZDSX-MRXNPFEDSA-N 1 1 381.358 4.450 20 0 GIADMO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](CC)C3CCC(C)CC3)CC2)cn1 ZINC000461001898 823557634 /nfs/dbraw/zinc/55/76/34/823557634.db2.gz AUTNFFSTWDNHFY-KITAHSCOSA-N 1 1 388.600 4.180 20 0 GIADMO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H](CC)C3CCC(C)CC3)CC2)cn1 ZINC000461001898 823557636 /nfs/dbraw/zinc/55/76/36/823557636.db2.gz AUTNFFSTWDNHFY-KITAHSCOSA-N 1 1 388.600 4.180 20 0 GIADMO CCN(c1nnc(C)n1Cc1cccs1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000461013954 823559152 /nfs/dbraw/zinc/55/91/52/823559152.db2.gz ILYKVNZBWMJHTC-XLIONFOSSA-N 1 1 395.576 4.358 20 0 GIADMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000411231838 823559233 /nfs/dbraw/zinc/55/92/33/823559233.db2.gz WZCFCVSZJIXHEX-CYBMUJFWSA-N 1 1 387.749 4.087 20 0 GIADMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC000411231838 823559235 /nfs/dbraw/zinc/55/92/35/823559235.db2.gz WZCFCVSZJIXHEX-CYBMUJFWSA-N 1 1 387.749 4.087 20 0 GIADMO O=C(C[NH2+]Cc1ccccc1OCc1ccccc1)Nc1ccc(F)c(F)c1 ZINC000060818674 823559694 /nfs/dbraw/zinc/55/96/94/823559694.db2.gz GSTBCGOCEVSNPJ-UHFFFAOYSA-N 1 1 382.410 4.272 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC000060845336 823561632 /nfs/dbraw/zinc/56/16/32/823561632.db2.gz AUSJSHPFOHDYHN-CALCHBBNSA-N 1 1 399.560 4.098 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000461028472 823561785 /nfs/dbraw/zinc/56/17/85/823561785.db2.gz OQYZALACCHWJSU-GFCCVEGCSA-N 1 1 397.306 4.034 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cccc(C)c1Br ZINC000190321008 823562418 /nfs/dbraw/zinc/56/24/18/823562418.db2.gz VKYHDWXYTOYJHE-UHFFFAOYSA-N 1 1 380.282 4.073 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000461036484 823563049 /nfs/dbraw/zinc/56/30/49/823563049.db2.gz DXIIYOQAJUCVOK-CQSZACIVSA-N 1 1 395.425 4.351 20 0 GIADMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000060877264 823564189 /nfs/dbraw/zinc/56/41/89/823564189.db2.gz HJEQASZEHVCFRN-NRFANRHFSA-N 1 1 396.579 4.065 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@@H+](CC(N)=O)C(C)(C)C ZINC000411331432 823564875 /nfs/dbraw/zinc/56/48/75/823564875.db2.gz YLJPMSIGSHGDGM-UHFFFAOYSA-N 1 1 385.455 4.223 20 0 GIADMO CCC[N@@H+](C[C@H]1CCCCO1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000411362867 823566513 /nfs/dbraw/zinc/56/65/13/823566513.db2.gz CCFHFIHBGLFNQE-PZJWPPBQSA-N 1 1 398.551 4.097 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCc2ccc(F)cc2)C1 ZINC000060938573 823568125 /nfs/dbraw/zinc/56/81/25/823568125.db2.gz UFMQYGFRUPPTNQ-GOSISDBHSA-N 1 1 383.511 4.100 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(-c4ncco4)cc3F)C2)nc1 ZINC000411395138 823569807 /nfs/dbraw/zinc/56/98/07/823569807.db2.gz VDVAAJMFWGYDSJ-SFHVURJKSA-N 1 1 394.450 4.035 20 0 GIADMO CC(C)[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1cccnc1 ZINC000411405181 823570842 /nfs/dbraw/zinc/57/08/42/823570842.db2.gz BWBUFTINFHVENF-UHFFFAOYSA-N 1 1 394.288 4.222 20 0 GIADMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000411425245 823572718 /nfs/dbraw/zinc/57/27/18/823572718.db2.gz XIMHHKQIWFUSRS-IBGZPJMESA-N 1 1 391.437 4.023 20 0 GIADMO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000411425245 823572723 /nfs/dbraw/zinc/57/27/23/823572723.db2.gz XIMHHKQIWFUSRS-IBGZPJMESA-N 1 1 391.437 4.023 20 0 GIADMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000411425245 823572727 /nfs/dbraw/zinc/57/27/27/823572727.db2.gz XIMHHKQIWFUSRS-IBGZPJMESA-N 1 1 391.437 4.023 20 0 GIADMO CN1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000411425256 823572773 /nfs/dbraw/zinc/57/27/73/823572773.db2.gz XIMHHKQIWFUSRS-LJQANCHMSA-N 1 1 391.437 4.023 20 0 GIADMO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000411425256 823572774 /nfs/dbraw/zinc/57/27/74/823572774.db2.gz XIMHHKQIWFUSRS-LJQANCHMSA-N 1 1 391.437 4.023 20 0 GIADMO C[N@H+]1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000411425256 823572775 /nfs/dbraw/zinc/57/27/75/823572775.db2.gz XIMHHKQIWFUSRS-LJQANCHMSA-N 1 1 391.437 4.023 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411428337 823573196 /nfs/dbraw/zinc/57/31/96/823573196.db2.gz SGCIGNZXGLSOBZ-MRXNPFEDSA-N 1 1 380.414 4.211 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000411431541 823573591 /nfs/dbraw/zinc/57/35/91/823573591.db2.gz TVMJAXNBGQKSPC-KRWDZBQOSA-N 1 1 376.298 4.256 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)C1CCC(C)CC1 ZINC000461089461 823574562 /nfs/dbraw/zinc/57/45/62/823574562.db2.gz QWOLAZLQXGYZAE-PSGUAHCZSA-N 1 1 399.579 4.142 20 0 GIADMO O=C1CCCN1C[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000411444636 823574854 /nfs/dbraw/zinc/57/48/54/823574854.db2.gz KYBBFDSMIVIJCR-XMMPIXPASA-N 1 1 391.559 4.126 20 0 GIADMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2CC(C)(C)C)c1 ZINC000061039973 823575041 /nfs/dbraw/zinc/57/50/41/823575041.db2.gz VVHPQLXXTUNJJS-YLJYHZDGSA-N 1 1 388.552 4.268 20 0 GIADMO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)c1 ZINC000190445909 823575426 /nfs/dbraw/zinc/57/54/26/823575426.db2.gz WUMXDHSRIRQQPY-LBPRGKRZSA-N 1 1 380.282 4.326 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2ccc(-c3ncco3)cc2F)cc(OC)c1OC ZINC000411448052 823575587 /nfs/dbraw/zinc/57/55/87/823575587.db2.gz QDZULBDNJSGXNY-ZDUSSCGKSA-N 1 1 386.423 4.357 20 0 GIADMO COc1ccc(C(C)(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000124208346 823577479 /nfs/dbraw/zinc/57/74/79/823577479.db2.gz ILRZUCPZOXMHEK-FRIKZZABSA-N 1 1 392.543 4.285 20 0 GIADMO Cc1ccc(-c2ocnc2C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000461103031 823577867 /nfs/dbraw/zinc/57/78/67/823577867.db2.gz QQLZCUHKWCJSSS-UHFFFAOYSA-N 1 1 377.488 4.420 20 0 GIADMO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ncc(C)c(OC)c1C ZINC000190463056 823577973 /nfs/dbraw/zinc/57/79/73/823577973.db2.gz XXXYHZFOMOKPLK-CYBMUJFWSA-N 1 1 379.298 4.329 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](CC(C)C)c2cc(Cl)ccc2OC)nc1 ZINC000411471745 823578774 /nfs/dbraw/zinc/57/87/74/823578774.db2.gz RDHXMKQBUIIDEA-SFHVURJKSA-N 1 1 376.884 4.407 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000124244977 823580504 /nfs/dbraw/zinc/58/05/04/823580504.db2.gz QXWFWFWAEZXPIG-CQSZACIVSA-N 1 1 392.341 4.028 20 0 GIADMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000461117301 823580677 /nfs/dbraw/zinc/58/06/77/823580677.db2.gz SDVCNNVLZTYALL-INIZCTEOSA-N 1 1 382.470 4.317 20 0 GIADMO CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)c1nc(C2CC2)no1 ZINC000411489290 823580823 /nfs/dbraw/zinc/58/08/23/823580823.db2.gz MIKBNMBJHJSCIP-FQEVSTJZSA-N 1 1 378.476 4.416 20 0 GIADMO CC[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000061164520 823581789 /nfs/dbraw/zinc/58/17/89/823581789.db2.gz VXHAZOIAVRWUDF-SFHVURJKSA-N 1 1 389.446 4.246 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccnn1C(C)(C)C ZINC000190506571 823582051 /nfs/dbraw/zinc/58/20/51/823582051.db2.gz MGDIZGVRJVGETE-LJQANCHMSA-N 1 1 383.540 4.014 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)N(Cc3ccco3)Cc3ccccc3)CCC2)n1 ZINC000411517212 823583460 /nfs/dbraw/zinc/58/34/60/823583460.db2.gz FACBGDVDFPPIOU-UHFFFAOYSA-N 1 1 395.528 4.242 20 0 GIADMO C[C@@H](CC(F)F)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411519761 823583991 /nfs/dbraw/zinc/58/39/91/823583991.db2.gz NTHZFXBHGNKSII-LBPRGKRZSA-N 1 1 378.385 4.077 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(Oc4ccc(F)nc4)CC3)o2)cc1C ZINC000190547368 823585227 /nfs/dbraw/zinc/58/52/27/823585227.db2.gz DPIBYEXKAKFNJX-INIZCTEOSA-N 1 1 396.466 4.492 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(Oc4ccc(F)nc4)CC3)o2)cc1C ZINC000190547345 823585254 /nfs/dbraw/zinc/58/52/54/823585254.db2.gz DPIBYEXKAKFNJX-MRXNPFEDSA-N 1 1 396.466 4.492 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411535135 823585747 /nfs/dbraw/zinc/58/57/47/823585747.db2.gz QPIMNYYCPZDGFM-MOJGAOKDSA-N 1 1 390.531 4.025 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC(c3ccncc3)CC2)cc1 ZINC000190560060 823586618 /nfs/dbraw/zinc/58/66/18/823586618.db2.gz DJNHQTPQFSQWJW-KRWDZBQOSA-N 1 1 389.503 4.226 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000124322876 823587213 /nfs/dbraw/zinc/58/72/13/823587213.db2.gz BFSNZSCPTDWPPA-MRXNPFEDSA-N 1 1 387.524 4.057 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)[N@@H+](C)CCCn1ccnc1 ZINC000124341936 823588804 /nfs/dbraw/zinc/58/88/04/823588804.db2.gz ZOZZIRWWYJAKOB-SFHVURJKSA-N 1 1 394.544 4.383 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)C1 ZINC000411585481 823589371 /nfs/dbraw/zinc/58/93/71/823589371.db2.gz HGKXJMOSYBRHQO-ODOSVJCGSA-N 1 1 378.516 4.228 20 0 GIADMO O=C(Cc1ccc(OC(F)F)cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285221 823589422 /nfs/dbraw/zinc/58/94/22/823589422.db2.gz AWHQMEPMGRSPNB-UHFFFAOYSA-N 1 1 392.471 4.018 20 0 GIADMO CCOC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000061306044 823590863 /nfs/dbraw/zinc/59/08/63/823590863.db2.gz UGXVKAUTKQCFJH-UHFFFAOYSA-N 1 1 383.492 4.025 20 0 GIADMO Fc1ccc(C[N@@H+](CCc2nc(-c3ccccc3)no2)C2CCOCC2)cc1 ZINC000411633559 823592488 /nfs/dbraw/zinc/59/24/88/823592488.db2.gz SGKXIQSJFBMVEY-UHFFFAOYSA-N 1 1 381.451 4.099 20 0 GIADMO CCCCOc1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1Cl ZINC000190641901 823594413 /nfs/dbraw/zinc/59/44/13/823594413.db2.gz YDZSZNCQBVUEJZ-KRWDZBQOSA-N 1 1 381.948 4.002 20 0 GIADMO CCCCOc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000190641822 823594490 /nfs/dbraw/zinc/59/44/90/823594490.db2.gz JHNXSMFPNFDOFB-NVXWUHKLSA-N 1 1 381.948 4.143 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCSCc1ccccc1 ZINC000061386239 823594503 /nfs/dbraw/zinc/59/45/03/823594503.db2.gz DNHXQIFBTGWSJB-UHFFFAOYSA-N 1 1 385.577 4.259 20 0 GIADMO CCCCOc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000190644440 823594541 /nfs/dbraw/zinc/59/45/41/823594541.db2.gz ZZMNGHAMZQEJMV-KRWDZBQOSA-N 1 1 381.948 4.002 20 0 GIADMO O=C(CC[N@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1c(Cl)cccc1Cl ZINC000411660681 823595585 /nfs/dbraw/zinc/59/55/85/823595585.db2.gz BCUWOFVZUAZUHB-OAHLLOKOSA-N 1 1 394.302 4.008 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000411662985 823595815 /nfs/dbraw/zinc/59/58/15/823595815.db2.gz OUJFSDFKYPFZRT-FMWKFLBASA-N 1 1 388.552 4.066 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000190683990 823598274 /nfs/dbraw/zinc/59/82/74/823598274.db2.gz ZGDBQIASRPZVNG-RTWAWAEBSA-N 1 1 395.547 4.308 20 0 GIADMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1OCCC(C)C ZINC000124471914 823599632 /nfs/dbraw/zinc/59/96/32/823599632.db2.gz GUIKRWOSBUTNGI-DOTOQJQBSA-N 1 1 396.959 4.328 20 0 GIADMO COc1cc(Cl)c(F)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000411757387 823602769 /nfs/dbraw/zinc/60/27/69/823602769.db2.gz LFGCMBDCOCPTGQ-CYBMUJFWSA-N 1 1 396.915 4.191 20 0 GIADMO C[C@H]([NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(-n2cnnn2)c1 ZINC000124529402 823603997 /nfs/dbraw/zinc/60/39/97/823603997.db2.gz QDKWBIGZWCWPOU-BTYIYWSLSA-N 1 1 390.878 4.151 20 0 GIADMO COc1cc(C[NH2+]Cc2nccn2-c2ccccc2)ccc1OCC(F)(F)F ZINC000190747773 823604720 /nfs/dbraw/zinc/60/47/20/823604720.db2.gz OTPGVUWGFAEJPJ-UHFFFAOYSA-N 1 1 391.393 4.112 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000461255150 823605680 /nfs/dbraw/zinc/60/56/80/823605680.db2.gz BZYDQZRJMIZGHP-SFHVURJKSA-N 1 1 393.369 4.204 20 0 GIADMO Cc1csc(NC(=O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)n1 ZINC000124550097 823605625 /nfs/dbraw/zinc/60/56/25/823605625.db2.gz SLAAZLFRBUBFBG-UHFFFAOYSA-N 1 1 378.501 4.117 20 0 GIADMO Cc1csc(NC(=O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)n1 ZINC000124550097 823605627 /nfs/dbraw/zinc/60/56/27/823605627.db2.gz SLAAZLFRBUBFBG-UHFFFAOYSA-N 1 1 378.501 4.117 20 0 GIADMO CC[C@H](Cc1cccc(Br)c1)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461256063 823605944 /nfs/dbraw/zinc/60/59/44/823605944.db2.gz GFPLDRQLHZKZRY-IEBWSBKVSA-N 1 1 395.385 4.351 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000411801818 823606140 /nfs/dbraw/zinc/60/61/40/823606140.db2.gz NHLQFVVQQPVHAK-INIZCTEOSA-N 1 1 392.393 4.339 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000461257098 823606240 /nfs/dbraw/zinc/60/62/40/823606240.db2.gz LENQQXHPIKIQQS-SFHVURJKSA-N 1 1 389.927 4.260 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)c2C(C)C)cc1 ZINC000461260077 823607072 /nfs/dbraw/zinc/60/70/72/823607072.db2.gz GMBAXTOYOROEFU-IBGZPJMESA-N 1 1 382.552 4.251 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000461261882 823607601 /nfs/dbraw/zinc/60/76/01/823607601.db2.gz FKOYWELCYGDTFA-INIZCTEOSA-N 1 1 377.941 4.410 20 0 GIADMO COc1sc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1Br ZINC000124575860 823607801 /nfs/dbraw/zinc/60/78/01/823607801.db2.gz JJLDSRJFJCVIMR-QGZVFWFLSA-N 1 1 396.350 4.465 20 0 GIADMO Brc1ccccc1-c1noc([C@H]2CCC[N@@H+]2CCOCC2CC2)n1 ZINC000190781577 823608300 /nfs/dbraw/zinc/60/83/00/823608300.db2.gz KPJCSNIKSHHERZ-MRXNPFEDSA-N 1 1 392.297 4.063 20 0 GIADMO Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2CCOCC2CC2)n1 ZINC000190781577 823608301 /nfs/dbraw/zinc/60/83/01/823608301.db2.gz KPJCSNIKSHHERZ-MRXNPFEDSA-N 1 1 392.297 4.063 20 0 GIADMO O=C(Nc1ccc(F)cc1OC(F)F)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000461265813 823608859 /nfs/dbraw/zinc/60/88/59/823608859.db2.gz TTWRYZDIWQWXCH-CQSZACIVSA-N 1 1 396.384 4.417 20 0 GIADMO Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2CCc2cccnc2)n1 ZINC000190790696 823609433 /nfs/dbraw/zinc/60/94/33/823609433.db2.gz IALXTQSMWLMYMT-QGZVFWFLSA-N 1 1 399.292 4.274 20 0 GIADMO CCOC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000411830656 823610084 /nfs/dbraw/zinc/61/00/84/823610084.db2.gz QYZQXKVKEKGIGQ-UHFFFAOYSA-N 1 1 399.491 4.387 20 0 GIADMO O=C(C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1)N1CCCCC1 ZINC000061761500 823612104 /nfs/dbraw/zinc/61/21/04/823612104.db2.gz DCXCETNYQPQKHU-UHFFFAOYSA-N 1 1 385.335 4.097 20 0 GIADMO CN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1nc2ccccc2n1C ZINC000461294164 823612896 /nfs/dbraw/zinc/61/28/96/823612896.db2.gz MIDJCVQGUCICTA-UHFFFAOYSA-N 1 1 398.510 4.239 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(CC(C)(C)C)n2Cc2cccs2)[C@@H](C)C1 ZINC000461299556 823613710 /nfs/dbraw/zinc/61/37/10/823613710.db2.gz ZLFHQQPTUFGJAJ-WMZOPIPTSA-N 1 1 389.613 4.143 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000061781367 823613875 /nfs/dbraw/zinc/61/38/75/823613875.db2.gz IGPSGRKRKWPIFO-AWEZNQCLSA-N 1 1 393.300 4.067 20 0 GIADMO Cc1cc(C)cc(OCCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000061788208 823614334 /nfs/dbraw/zinc/61/43/34/823614334.db2.gz WNAGLPJWPWGQRX-UHFFFAOYSA-N 1 1 399.560 4.053 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000411919766 823614391 /nfs/dbraw/zinc/61/43/91/823614391.db2.gz BMSVEEKFGMKHTF-BBRMVZONSA-N 1 1 390.270 4.351 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000411919766 823614393 /nfs/dbraw/zinc/61/43/93/823614393.db2.gz BMSVEEKFGMKHTF-BBRMVZONSA-N 1 1 390.270 4.351 20 0 GIADMO CCc1ccc(CN(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061789383 823614523 /nfs/dbraw/zinc/61/45/23/823614523.db2.gz OJTVVDXXJGFPJS-UHFFFAOYSA-N 1 1 383.561 4.462 20 0 GIADMO Cc1ccc(OCCN(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061789888 823614546 /nfs/dbraw/zinc/61/45/46/823614546.db2.gz XZDHIFACMSOTNB-UHFFFAOYSA-N 1 1 399.560 4.087 20 0 GIADMO C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789961 823614554 /nfs/dbraw/zinc/61/45/54/823614554.db2.gz CLZUDZLAFUSNEJ-OAHLLOKOSA-N 1 1 387.574 4.448 20 0 GIADMO O=C(NCCCOC1CCCCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789942 823614560 /nfs/dbraw/zinc/61/45/60/823614560.db2.gz DPEJOYJNPGKDBG-UHFFFAOYSA-N 1 1 391.581 4.096 20 0 GIADMO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1)Nc1c(Cl)cccc1Cl ZINC000411942302 823615430 /nfs/dbraw/zinc/61/54/30/823615430.db2.gz MCCITSLNBBTCRE-RHSMWYFYSA-N 1 1 379.287 4.130 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@H](c3ccsc3)[NH+](C)C)[nH]c2c1 ZINC000061863504 823616425 /nfs/dbraw/zinc/61/64/25/823616425.db2.gz MVSROCASDHSCIL-RTBURBONSA-N 1 1 397.548 4.082 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)CCCCc2ccc(Br)cc2)CC[N@H+]1C ZINC000124678564 823616703 /nfs/dbraw/zinc/61/67/03/823616703.db2.gz ULWHVMFVZTZPKK-YJBOKZPZSA-N 1 1 381.358 4.103 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000124686268 823617355 /nfs/dbraw/zinc/61/73/55/823617355.db2.gz LGUFGWCALQOPQF-HXUWFJFHSA-N 1 1 393.487 4.440 20 0 GIADMO C[C@H](NC(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1Cl ZINC000411981389 823617626 /nfs/dbraw/zinc/61/76/26/823617626.db2.gz AUCSVNCEBHAPBQ-HTAPYJJXSA-N 1 1 398.934 4.371 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1Cl ZINC000411981389 823617627 /nfs/dbraw/zinc/61/76/27/823617627.db2.gz AUCSVNCEBHAPBQ-HTAPYJJXSA-N 1 1 398.934 4.371 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@]4(C3)CC(=O)c3ccccc3O4)cc2)n1 ZINC000411979002 823617690 /nfs/dbraw/zinc/61/76/90/823617690.db2.gz HTSCGNUWZSILRK-XMMPIXPASA-N 1 1 387.483 4.099 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1cc(C(C)(C)C)on1)C(C)C ZINC000411983975 823617985 /nfs/dbraw/zinc/61/79/85/823617985.db2.gz MFVSEWITMXMISZ-QGZVFWFLSA-N 1 1 392.565 4.344 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cc(C(C)(C)C)on1)C(C)C ZINC000411983975 823617986 /nfs/dbraw/zinc/61/79/86/823617986.db2.gz MFVSEWITMXMISZ-QGZVFWFLSA-N 1 1 392.565 4.344 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411988132 823618444 /nfs/dbraw/zinc/61/84/44/823618444.db2.gz NRYVJFBHXQSWOX-GCJKJVERSA-N 1 1 378.516 4.430 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411988132 823618447 /nfs/dbraw/zinc/61/84/47/823618447.db2.gz NRYVJFBHXQSWOX-GCJKJVERSA-N 1 1 378.516 4.430 20 0 GIADMO O=C1c2ccccc2NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)N1C1CC1 ZINC000124698188 823618599 /nfs/dbraw/zinc/61/85/99/823618599.db2.gz GVRWGRCJPPRAQE-UHFFFAOYSA-N 1 1 381.907 4.362 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1C ZINC000411990167 823618665 /nfs/dbraw/zinc/61/86/65/823618665.db2.gz QUVVYBGMVCEDSP-RDPSFJRHSA-N 1 1 392.543 4.334 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1C ZINC000411990167 823618667 /nfs/dbraw/zinc/61/86/67/823618667.db2.gz QUVVYBGMVCEDSP-RDPSFJRHSA-N 1 1 392.543 4.334 20 0 GIADMO Cc1ccsc1-c1nnc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)n1Cc1cccs1 ZINC000461330371 823618684 /nfs/dbraw/zinc/61/86/84/823618684.db2.gz HFLFYIZDFCQRGP-MRXNPFEDSA-N 1 1 399.589 4.098 20 0 GIADMO O=c1cc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)nc2ccc(Cl)cn12 ZINC000411993811 823618908 /nfs/dbraw/zinc/61/89/08/823618908.db2.gz XVUOGWRIILXVKI-LJQANCHMSA-N 1 1 379.891 4.118 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000461332585 823619011 /nfs/dbraw/zinc/61/90/11/823619011.db2.gz KZPZAWHBAVTIOB-MJGOQNOKSA-N 1 1 387.321 4.241 20 0 GIADMO C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995205 823619134 /nfs/dbraw/zinc/61/91/34/823619134.db2.gz CILIQVJEZJZXAS-MSYCTHLASA-N 1 1 390.527 4.206 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000461335069 823619626 /nfs/dbraw/zinc/61/96/26/823619626.db2.gz YQZGMWAPLCGFME-CRAIPNDOSA-N 1 1 391.353 4.155 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000461335073 823619635 /nfs/dbraw/zinc/61/96/35/823619635.db2.gz YQZGMWAPLCGFME-MAUKXSAKSA-N 1 1 391.353 4.155 20 0 GIADMO CC[C@H](NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1OC(F)F ZINC000061957122 823619793 /nfs/dbraw/zinc/61/97/93/823619793.db2.gz MGUJUVLKNOUEEQ-INMHGKMJSA-N 1 1 383.483 4.159 20 0 GIADMO CC1(C)C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc2O1 ZINC000412000022 823620224 /nfs/dbraw/zinc/62/02/24/823620224.db2.gz CSKCBBQWCMAKCD-RBBKRZOGSA-N 1 1 392.543 4.012 20 0 GIADMO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000912 823620391 /nfs/dbraw/zinc/62/03/91/823620391.db2.gz PHPWBHGRQXFJMF-REWPJTCUSA-N 1 1 392.543 4.196 20 0 GIADMO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000412002318 823620638 /nfs/dbraw/zinc/62/06/38/823620638.db2.gz SYISYWDTZUQXIX-QTEQDKRBSA-N 1 1 392.543 4.149 20 0 GIADMO C[C@H](CNC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000412002318 823620640 /nfs/dbraw/zinc/62/06/40/823620640.db2.gz SYISYWDTZUQXIX-QTEQDKRBSA-N 1 1 392.543 4.149 20 0 GIADMO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412002319 823620674 /nfs/dbraw/zinc/62/06/74/823620674.db2.gz SYISYWDTZUQXIX-TXTKFYIRSA-N 1 1 392.543 4.149 20 0 GIADMO 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CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC000063859181 823703067 /nfs/dbraw/zinc/70/30/67/823703067.db2.gz CYRXHYGGANWGCG-AWEZNQCLSA-N 1 1 377.510 4.158 20 0 GIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000063865851 823703781 /nfs/dbraw/zinc/70/37/81/823703781.db2.gz LOLOMOOTDZPXFE-KRWDZBQOSA-N 1 1 394.544 4.063 20 0 GIADMO Cc1ccc([C@H](CN[C@@H](C)c2ccc(Br)cn2)[NH+]2CCCC2)o1 ZINC000574340214 823704865 /nfs/dbraw/zinc/70/48/65/823704865.db2.gz MMFQYIBAQPWFOJ-YOEHRIQHSA-N 1 1 378.314 4.233 20 0 GIADMO C[N@@H+](CCCNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000413094604 823706042 /nfs/dbraw/zinc/70/60/42/823706042.db2.gz BGKDVXMLXUIHAG-QFIPXVFZSA-N 1 1 399.579 4.204 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)C1 ZINC000413098848 823706715 /nfs/dbraw/zinc/70/67/15/823706715.db2.gz ATSQRKPYENXBBT-RBBKRZOGSA-N 1 1 399.579 4.062 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000163426188 823708151 /nfs/dbraw/zinc/70/81/51/823708151.db2.gz YGCIMGYXOFHJJR-VXGBXAGGSA-N 1 1 397.306 4.082 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)c1cccc(Br)c1 ZINC000125779359 823708655 /nfs/dbraw/zinc/70/86/55/823708655.db2.gz JEJBCYZASQYIIP-HNNXBMFYSA-N 1 1 377.307 4.224 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)c1cccc(Br)c1 ZINC000125779359 823708658 /nfs/dbraw/zinc/70/86/58/823708658.db2.gz JEJBCYZASQYIIP-HNNXBMFYSA-N 1 1 377.307 4.224 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000163483173 823714332 /nfs/dbraw/zinc/71/43/32/823714332.db2.gz FMDOZLCNYQTJLI-INIZCTEOSA-N 1 1 389.927 4.022 20 0 GIADMO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C)c1c(F)cncc1F ZINC000574387120 823716260 /nfs/dbraw/zinc/71/62/60/823716260.db2.gz RFYXIXLOOJJKRS-GHMZBOCLSA-N 1 1 398.251 4.190 20 0 GIADMO CC(C)CCOc1ccccc1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000125810906 823716952 /nfs/dbraw/zinc/71/69/52/823716952.db2.gz HPSLWPWZYRXWHM-UHFFFAOYSA-N 1 1 398.551 4.009 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000125816078 823718235 /nfs/dbraw/zinc/71/82/35/823718235.db2.gz RLDZCFFFUWTHPM-GOEBONIOSA-N 1 1 376.547 4.160 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000125816078 823718239 /nfs/dbraw/zinc/71/82/39/823718239.db2.gz RLDZCFFFUWTHPM-GOEBONIOSA-N 1 1 376.547 4.160 20 0 GIADMO Cc1ccc(Br)cc1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000574397948 823718994 /nfs/dbraw/zinc/71/89/94/823718994.db2.gz ZRPPOQUECZHXJE-OAHLLOKOSA-N 1 1 380.248 4.283 20 0 GIADMO CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000125821089 823719409 /nfs/dbraw/zinc/71/94/09/823719409.db2.gz HKYVIRKKQXQUKN-ICSRJNTNSA-N 1 1 396.535 4.078 20 0 GIADMO CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000125821423 823719969 /nfs/dbraw/zinc/71/99/69/823719969.db2.gz HKYVIRKKQXQUKN-AZUAARDMSA-N 1 1 396.535 4.078 20 0 GIADMO COc1cccc(Cl)c1C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000191633392 823720128 /nfs/dbraw/zinc/72/01/28/823720128.db2.gz AJRDWBCRYHIZOH-UHFFFAOYSA-N 1 1 380.673 4.049 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1c1nc(C(F)F)nc2ccc(Cl)cc21 ZINC000413177862 823721992 /nfs/dbraw/zinc/72/19/92/823721992.db2.gz UYLSGCVRTNRKOT-CYBMUJFWSA-N 1 1 377.826 4.395 20 0 GIADMO Cc1nc(CC2CC2)sc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000191640723 823722122 /nfs/dbraw/zinc/72/21/22/823722122.db2.gz ZUBCZXOBKPRWHF-MAUKXSAKSA-N 1 1 375.582 4.131 20 0 GIADMO CC[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)CC(F)(F)F ZINC000413183612 823723435 /nfs/dbraw/zinc/72/34/35/823723435.db2.gz MSGBUHQLYBRVMT-CYBMUJFWSA-N 1 1 386.393 4.098 20 0 GIADMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2nccc3cc(Br)ccc32)C1 ZINC000413194635 823724969 /nfs/dbraw/zinc/72/49/69/823724969.db2.gz IDESQENCWQOSCY-AWEZNQCLSA-N 1 1 385.309 4.190 20 0 GIADMO Cc1cc(C(=O)C[NH+]2CCC(c3ccncc3)CC2)c(C)n1CC(F)(F)F ZINC000191671697 823728622 /nfs/dbraw/zinc/72/86/22/823728622.db2.gz VULBYOSQUXHTED-UHFFFAOYSA-N 1 1 379.426 4.125 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1cccnc1C(F)(F)F)C1CC1 ZINC000574436916 823729144 /nfs/dbraw/zinc/72/91/44/823729144.db2.gz YRRLTIUVTOTCLT-KRWDZBQOSA-N 1 1 392.425 4.133 20 0 GIADMO CCS[C@H](C)c1noc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000125859060 823730873 /nfs/dbraw/zinc/73/08/73/823730873.db2.gz AQVVEGCHVTVHAV-OAHLLOKOSA-N 1 1 385.537 4.338 20 0 GIADMO CCS[C@H](C)c1noc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000125859060 823730882 /nfs/dbraw/zinc/73/08/82/823730882.db2.gz AQVVEGCHVTVHAV-OAHLLOKOSA-N 1 1 385.537 4.338 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000191679668 823731016 /nfs/dbraw/zinc/73/10/16/823731016.db2.gz ISIUIAZXYSZSMJ-UHFFFAOYSA-N 1 1 383.414 4.347 20 0 GIADMO Fc1ccc(COc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000064030643 823737876 /nfs/dbraw/zinc/73/78/76/823737876.db2.gz CSNSVFSNSXLBDW-UHFFFAOYSA-N 1 1 377.463 4.122 20 0 GIADMO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000125897616 823739552 /nfs/dbraw/zinc/73/95/52/823739552.db2.gz YZUSEWJKRRXFIO-ZACQAIPSSA-N 1 1 399.501 4.380 20 0 GIADMO CCCOc1cc(C)ccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000461888644 823739690 /nfs/dbraw/zinc/73/96/90/823739690.db2.gz HYLCARHNJPSLEV-HXUWFJFHSA-N 1 1 382.504 4.013 20 0 GIADMO CCCOc1cc(C)ccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000461888644 823739698 /nfs/dbraw/zinc/73/96/98/823739698.db2.gz HYLCARHNJPSLEV-HXUWFJFHSA-N 1 1 382.504 4.013 20 0 GIADMO CC[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000413273111 823742818 /nfs/dbraw/zinc/74/28/18/823742818.db2.gz YCCSUTBCFDPTMO-BPIHKTFHSA-N 1 1 397.485 4.460 20 0 GIADMO COc1ccc(OCc2nc(C[N@H+](C)[C@H](C)Cc3ccc(O)cc3)cs2)cc1 ZINC000125922919 823744658 /nfs/dbraw/zinc/74/46/58/823744658.db2.gz LDTMVYBBGVHTAC-MRXNPFEDSA-N 1 1 398.528 4.499 20 0 GIADMO COc1ccc(OCc2nc(C[N@@H+](C)[C@H](C)Cc3ccc(O)cc3)cs2)cc1 ZINC000125922919 823744661 /nfs/dbraw/zinc/74/46/61/823744661.db2.gz LDTMVYBBGVHTAC-MRXNPFEDSA-N 1 1 398.528 4.499 20 0 GIADMO C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(c1ccccc1)c1ccccc1 ZINC000461900670 823744816 /nfs/dbraw/zinc/74/48/16/823744816.db2.gz TXAXKZJIXPCIHE-GOSISDBHSA-N 1 1 389.499 4.221 20 0 GIADMO Cc1ccc(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000574490723 823746684 /nfs/dbraw/zinc/74/66/84/823746684.db2.gz JMQSYWSJLONVHU-KRWDZBQOSA-N 1 1 396.478 4.399 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191723262 823746959 /nfs/dbraw/zinc/74/69/59/823746959.db2.gz GWEKNKWATZRSGT-LBPRGKRZSA-N 1 1 388.737 4.298 20 0 GIADMO Cc1cc(C(F)(F)F)ccc1CNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000191725825 823748031 /nfs/dbraw/zinc/74/80/31/823748031.db2.gz YFWHWVRVQIJRKH-UHFFFAOYSA-N 1 1 384.365 4.150 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]CC[S@@](=O)c1ccccc1)c1ccccc1 ZINC000125948741 823751253 /nfs/dbraw/zinc/75/12/53/823751253.db2.gz GDYIJCRRSCVLDF-DFHRPNOPSA-N 1 1 389.524 4.060 20 0 GIADMO C[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1csc2ccccc12 ZINC000064141713 823754008 /nfs/dbraw/zinc/75/40/08/823754008.db2.gz DDEKICROYPMUBU-UHFFFAOYSA-N 1 1 377.506 4.336 20 0 GIADMO C[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1csc2ccccc12 ZINC000064141713 823754009 /nfs/dbraw/zinc/75/40/09/823754009.db2.gz DDEKICROYPMUBU-UHFFFAOYSA-N 1 1 377.506 4.336 20 0 GIADMO Cn1nccc1[C@@H]1C[C@@H](Nc2cc[nH+]c3cc(Br)ccc23)CCO1 ZINC000574519837 823754536 /nfs/dbraw/zinc/75/45/36/823754536.db2.gz QWBTVXXXXLGZFC-UGSOOPFHSA-N 1 1 387.281 4.063 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)nc2)C1 ZINC000125969358 823756033 /nfs/dbraw/zinc/75/60/33/823756033.db2.gz HFWXELVSLRMWBQ-IBGZPJMESA-N 1 1 377.536 4.458 20 0 GIADMO COc1ccccc1-c1ccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191749602 823756199 /nfs/dbraw/zinc/75/61/99/823756199.db2.gz GFZWMQMYTUEQFT-OAQYLSRUSA-N 1 1 379.529 4.386 20 0 GIADMO COc1ccccc1-c1ccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191749602 823756203 /nfs/dbraw/zinc/75/62/03/823756203.db2.gz GFZWMQMYTUEQFT-OAQYLSRUSA-N 1 1 379.529 4.386 20 0 GIADMO CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000461921555 823756719 /nfs/dbraw/zinc/75/67/19/823756719.db2.gz NPCFTXFQFMHRNB-HLLBOEOZSA-N 1 1 388.943 4.028 20 0 GIADMO COc1cc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccccc2)cc(OC)c1OC ZINC000125987787 823760272 /nfs/dbraw/zinc/76/02/72/823760272.db2.gz QITSEHRQBMPSTH-IBGZPJMESA-N 1 1 398.503 4.268 20 0 GIADMO C[C@H](CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)CC(F)(F)F ZINC000413381536 823763975 /nfs/dbraw/zinc/76/39/75/823763975.db2.gz KRPAAXXJJGQIRP-LISAXSMJSA-N 1 1 385.474 4.031 20 0 GIADMO Cc1cccc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000163973828 823767388 /nfs/dbraw/zinc/76/73/88/823767388.db2.gz DPECGAFBZJLNOI-FQEVSTJZSA-N 1 1 382.548 4.335 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000126020405 823767818 /nfs/dbraw/zinc/76/78/18/823767818.db2.gz SPBRWFKDGBJQRS-YADHBBJMSA-N 1 1 375.447 4.125 20 0 GIADMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000574570726 823769291 /nfs/dbraw/zinc/76/92/91/823769291.db2.gz NEAGYQSGUBYGAP-HZSPNIEDSA-N 1 1 377.510 4.159 20 0 GIADMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000574570726 823769298 /nfs/dbraw/zinc/76/92/98/823769298.db2.gz NEAGYQSGUBYGAP-HZSPNIEDSA-N 1 1 377.510 4.159 20 0 GIADMO O=C(C[C@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1)NCc1ccc(F)cc1 ZINC000574570865 823769351 /nfs/dbraw/zinc/76/93/51/823769351.db2.gz UAQSUQHFXPTAGD-MSOLQXFVSA-N 1 1 382.470 4.370 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C2 ZINC000413405156 823769937 /nfs/dbraw/zinc/76/99/37/823769937.db2.gz IZQUZBJOVZBEIC-NHCUHLMSSA-N 1 1 397.906 4.013 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C2 ZINC000413405156 823769942 /nfs/dbraw/zinc/76/99/42/823769942.db2.gz IZQUZBJOVZBEIC-NHCUHLMSSA-N 1 1 397.906 4.013 20 0 GIADMO Cc1coc(-c2cccc(NC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c2)n1 ZINC000164027531 823771653 /nfs/dbraw/zinc/77/16/53/823771653.db2.gz DBJOMWFIJQFEKX-KKSFZXQISA-N 1 1 390.487 4.292 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCc2ccccc2C(F)(F)F)c1 ZINC000064226680 823774702 /nfs/dbraw/zinc/77/47/02/823774702.db2.gz LKYWCRAIBAURLD-UHFFFAOYSA-N 1 1 393.453 4.199 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)CCOc2ccc(Cl)cc2)c1 ZINC000064229847 823776028 /nfs/dbraw/zinc/77/60/28/823776028.db2.gz MSNCZXIEEJMALK-UHFFFAOYSA-N 1 1 389.927 4.012 20 0 GIADMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000191807881 823776282 /nfs/dbraw/zinc/77/62/82/823776282.db2.gz XPJGGPBIAFKSSF-NVXWUHKLSA-N 1 1 375.266 4.002 20 0 GIADMO CC(C)[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000574601802 823776841 /nfs/dbraw/zinc/77/68/41/823776841.db2.gz JSLXSJGXJXYYQK-OAQYLSRUSA-N 1 1 377.479 4.177 20 0 GIADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[C@H]2CS3)n1 ZINC000413454002 823780617 /nfs/dbraw/zinc/78/06/17/823780617.db2.gz KXCJEZPHZVQKGX-GJZGRUSLSA-N 1 1 382.558 4.114 20 0 GIADMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)ns2)[NH+]2CCCC2)o1 ZINC000461980065 823780627 /nfs/dbraw/zinc/78/06/27/823780627.db2.gz BCYJTAALLXSKBW-SFHVURJKSA-N 1 1 381.501 4.278 20 0 GIADMO Fc1ccc(C[NH+]2CCC(N[C@@H](c3ncc[nH]3)c3ccccc3)CC2)cc1F ZINC000126087082 823783593 /nfs/dbraw/zinc/78/35/93/823783593.db2.gz XNQUKHIXDSHNRI-OAQYLSRUSA-N 1 1 382.458 4.032 20 0 GIADMO Fc1ccc(C[NH+]2CCC(N[C@H](c3ncc[nH]3)c3ccccc3)CC2)cc1F ZINC000126086913 823783976 /nfs/dbraw/zinc/78/39/76/823783976.db2.gz XNQUKHIXDSHNRI-NRFANRHFSA-N 1 1 382.458 4.032 20 0 GIADMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@@H]1C ZINC000191824198 823784410 /nfs/dbraw/zinc/78/44/10/823784410.db2.gz IYNDVPXUIKEOBV-GVXVVHGQSA-N 1 1 398.290 4.235 20 0 GIADMO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C[C@@H]1C ZINC000191824198 823784419 /nfs/dbraw/zinc/78/44/19/823784419.db2.gz IYNDVPXUIKEOBV-GVXVVHGQSA-N 1 1 398.290 4.235 20 0 GIADMO CC(=O)c1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000064316686 823790083 /nfs/dbraw/zinc/79/00/83/823790083.db2.gz XLTUNRWYJRDZQV-FQEVSTJZSA-N 1 1 390.405 4.282 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)cc(OC)c1OC ZINC000164270965 823791694 /nfs/dbraw/zinc/79/16/94/823791694.db2.gz KEIIKJAAFYULPJ-QGZVFWFLSA-N 1 1 395.503 4.002 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000574656630 823792075 /nfs/dbraw/zinc/79/20/75/823792075.db2.gz UXASVIUMKLCWAP-MRXNPFEDSA-N 1 1 378.476 4.348 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000462008369 823792652 /nfs/dbraw/zinc/79/26/52/823792652.db2.gz IREKSFZDEZGXNY-KSSFIOAISA-N 1 1 377.579 4.195 20 0 GIADMO C[C@@H](CC(F)F)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413537718 823794400 /nfs/dbraw/zinc/79/44/00/823794400.db2.gz HBAXATMGFWHSJT-GOEBONIOSA-N 1 1 392.412 4.191 20 0 GIADMO CSCC[C@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)c1nnc2ccccn21 ZINC000164298446 823794354 /nfs/dbraw/zinc/79/43/54/823794354.db2.gz MEZZLSWBSXMFKN-CJNGLKHVSA-N 1 1 392.475 4.476 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)NCC2(C)CCCCC2)c1 ZINC000574681915 823799908 /nfs/dbraw/zinc/79/99/08/823799908.db2.gz INQQQJXLVRYJFH-UHFFFAOYSA-N 1 1 396.535 4.080 20 0 GIADMO CC(C)(CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1c(Cl)cccc1Cl ZINC000462027158 823800899 /nfs/dbraw/zinc/80/08/99/823800899.db2.gz LQNWOOMEFOILKW-UHFFFAOYSA-N 1 1 396.318 4.285 20 0 GIADMO CC(C)CN(C(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)C1CC[NH+](C)CC1 ZINC000574686038 823801400 /nfs/dbraw/zinc/80/14/00/823801400.db2.gz HSUZBTXEZCHAEM-UHFFFAOYSA-N 1 1 390.531 4.422 20 0 GIADMO COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000164435160 823802852 /nfs/dbraw/zinc/80/28/52/823802852.db2.gz PDNFFDMXRMDQKK-UHFFFAOYSA-N 1 1 398.434 4.294 20 0 GIADMO CC[C@H](C(=O)N1CCC(OC2CCC(C)CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000574698616 823803134 /nfs/dbraw/zinc/80/31/34/823803134.db2.gz MCNOSTANDVTZGB-POOLCLQXSA-N 1 1 386.580 4.483 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OCc2ccccc2F)cc1 ZINC000064377732 823804261 /nfs/dbraw/zinc/80/42/61/823804261.db2.gz VVBRHDFTPIJQPP-SFHVURJKSA-N 1 1 387.524 4.175 20 0 GIADMO Cc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000064377918 823804326 /nfs/dbraw/zinc/80/43/26/823804326.db2.gz OYWYKRGNCWDYBC-HNNXBMFYSA-N 1 1 377.554 4.394 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000462035222 823804919 /nfs/dbraw/zinc/80/49/19/823804919.db2.gz HDNQDMWSFRLLIB-UHFFFAOYSA-N 1 1 387.483 4.353 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 ZINC000064381841 823805559 /nfs/dbraw/zinc/80/55/59/823805559.db2.gz KEJXSFGQGYYPOM-UHFFFAOYSA-N 1 1 399.560 4.193 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2NC(=O)c2ccsc2)CC1 ZINC000064381730 823805573 /nfs/dbraw/zinc/80/55/73/823805573.db2.gz JDOWOJGFLRZSHG-UHFFFAOYSA-N 1 1 399.560 4.193 20 0 GIADMO CC(C)[N@H+]1CCCN(C(=O)C[C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000462036294 823805703 /nfs/dbraw/zinc/80/57/03/823805703.db2.gz MJVQLNFQWFGDTD-AWEZNQCLSA-N 1 1 385.321 4.025 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000164511522 823805886 /nfs/dbraw/zinc/80/58/86/823805886.db2.gz KIWJNRWBTXKUFA-RDJZCZTQSA-N 1 1 389.952 4.328 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000164511760 823806016 /nfs/dbraw/zinc/80/60/16/823806016.db2.gz KIWJNRWBTXKUFA-DOTOQJQBSA-N 1 1 389.952 4.328 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OCC ZINC000164535588 823807595 /nfs/dbraw/zinc/80/75/95/823807595.db2.gz VMAXCCJPIBGDAF-CRAIPNDOSA-N 1 1 394.943 4.084 20 0 GIADMO Clc1ccccc1-c1ccc(C[NH+]2CCN(Cc3ncccn3)CC2)s1 ZINC000191915762 823810466 /nfs/dbraw/zinc/81/04/66/823810466.db2.gz CBDUPBTZPFDHOO-UHFFFAOYSA-N 1 1 384.936 4.176 20 0 GIADMO CC[C@H](NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000413651107 823810814 /nfs/dbraw/zinc/81/08/14/823810814.db2.gz FXHWLIGZQLHHJG-YADHBBJMSA-N 1 1 380.536 4.229 20 0 GIADMO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064401923 823812167 /nfs/dbraw/zinc/81/21/67/823812167.db2.gz HWOUIGSCJOGLGM-HXUWFJFHSA-N 1 1 392.528 4.035 20 0 GIADMO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000064401923 823812175 /nfs/dbraw/zinc/81/21/75/823812175.db2.gz HWOUIGSCJOGLGM-HXUWFJFHSA-N 1 1 392.528 4.035 20 0 GIADMO Fc1cc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1Cl ZINC000191933537 823815330 /nfs/dbraw/zinc/81/53/30/823815330.db2.gz BSKIZDAVCPOUIQ-OAHLLOKOSA-N 1 1 392.906 4.055 20 0 GIADMO COCC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ccco1 ZINC000164703273 823816770 /nfs/dbraw/zinc/81/67/70/823816770.db2.gz AWMMPLVAONKFNM-UHFFFAOYSA-N 1 1 378.472 4.424 20 0 GIADMO CN(C(=O)N[C@H]1CCc2sc(Cl)cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462061304 823816869 /nfs/dbraw/zinc/81/68/69/823816869.db2.gz QLUHNDCOEXGOQE-WBVHZDCISA-N 1 1 389.952 4.305 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccnn2C2CCCC2)C2CC2)cc1 ZINC000574756640 823819744 /nfs/dbraw/zinc/81/97/44/823819744.db2.gz HLTSPXFCZNDTPO-UHFFFAOYSA-N 1 1 378.520 4.055 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccnn2C2CCCC2)C2CC2)cc1 ZINC000574756640 823819749 /nfs/dbraw/zinc/81/97/49/823819749.db2.gz HLTSPXFCZNDTPO-UHFFFAOYSA-N 1 1 378.520 4.055 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000064448218 823820364 /nfs/dbraw/zinc/82/03/64/823820364.db2.gz FUURPBWSOOAXLR-UHFFFAOYSA-N 1 1 376.422 4.442 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cnccc1C(C)(C)C ZINC000413700964 823820657 /nfs/dbraw/zinc/82/06/57/823820657.db2.gz SKMMBSKAKAGTLL-FQEVSTJZSA-N 1 1 394.563 4.043 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cc(C)nn2Cc2ccccc2)CC1 ZINC000126263716 823823978 /nfs/dbraw/zinc/82/39/78/823823978.db2.gz BWERECAXCTYCCH-UHFFFAOYSA-N 1 1 397.567 4.216 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000126267007 823825036 /nfs/dbraw/zinc/82/50/36/823825036.db2.gz YACPYQSJRQLWFK-QGZVFWFLSA-N 1 1 384.524 4.077 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccccc1OC(F)F ZINC000574785098 823825811 /nfs/dbraw/zinc/82/58/11/823825811.db2.gz WEROBLUJGYXQSQ-INIZCTEOSA-N 1 1 375.419 4.074 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)N3CCN(c4cc(C)cc[nH+]4)CC3)c2)oc1C ZINC000164964613 823827391 /nfs/dbraw/zinc/82/73/91/823827391.db2.gz HAZLONXNWLMYPH-UHFFFAOYSA-N 1 1 391.475 4.016 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cccc3cccnc32)CC1 ZINC000064480615 823827729 /nfs/dbraw/zinc/82/77/29/823827729.db2.gz HWXUVZKBDANLRK-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000064480612 823828023 /nfs/dbraw/zinc/82/80/23/823828023.db2.gz LNKONHXLXHZXMC-UHFFFAOYSA-N 1 1 395.890 4.343 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000064480612 823828025 /nfs/dbraw/zinc/82/80/25/823828025.db2.gz LNKONHXLXHZXMC-UHFFFAOYSA-N 1 1 395.890 4.343 20 0 GIADMO Fc1ccc([C@H]2OCC[C@H]2NC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000126294782 823832314 /nfs/dbraw/zinc/83/23/14/823832314.db2.gz DQKFINHQZKVRJP-DHIUTWEWSA-N 1 1 386.486 4.092 20 0 GIADMO N#CCSc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521931 823835396 /nfs/dbraw/zinc/83/53/96/823835396.db2.gz PLRHMIUDKQJMIT-MRXNPFEDSA-N 1 1 385.558 4.006 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2nc(C)c(C(F)(F)F)s2)CC1 ZINC000574827047 823835521 /nfs/dbraw/zinc/83/55/21/823835521.db2.gz UIPORHODTGBKRA-UHFFFAOYSA-N 1 1 392.491 4.446 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)cc3)n2)cc1F ZINC000192029958 823837005 /nfs/dbraw/zinc/83/70/05/823837005.db2.gz YKFFQJVXHQIGNU-WMZOPIPTSA-N 1 1 391.805 4.288 20 0 GIADMO Cc1cccc(NCCNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)[nH+]1 ZINC000462124456 823837138 /nfs/dbraw/zinc/83/71/38/823837138.db2.gz FXANYZXVVJPRDB-LBPRGKRZSA-N 1 1 394.288 4.014 20 0 GIADMO Cc1ccc(-c2n[nH]cc2CNc2ccc(Cl)c(C[N@@H+](C)CCO)c2)cc1 ZINC000574838474 823838654 /nfs/dbraw/zinc/83/86/54/823838654.db2.gz ADVMQRSTVIYWDD-UHFFFAOYSA-N 1 1 384.911 4.075 20 0 GIADMO COc1ccccc1N(C(C)=O)c1nc(C[N@H+](C)C(C2CC2)C2CC2)cs1 ZINC000165223189 823840514 /nfs/dbraw/zinc/84/05/14/823840514.db2.gz BOFMGTNDJBSIQO-UHFFFAOYSA-N 1 1 385.533 4.457 20 0 GIADMO COc1ccccc1N(C(C)=O)c1nc(C[N@@H+](C)C(C2CC2)C2CC2)cs1 ZINC000165223189 823840518 /nfs/dbraw/zinc/84/05/18/823840518.db2.gz BOFMGTNDJBSIQO-UHFFFAOYSA-N 1 1 385.533 4.457 20 0 GIADMO COc1ccc(CCC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000574851106 823842898 /nfs/dbraw/zinc/84/28/98/823842898.db2.gz RLAZICOJAIICTC-OAQYLSRUSA-N 1 1 398.522 4.185 20 0 GIADMO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330944 823844040 /nfs/dbraw/zinc/84/40/40/823844040.db2.gz ZEZXGAGIVZCJPD-ZJSXRUAMSA-N 1 1 388.559 4.147 20 0 GIADMO Cc1c2ccc(NC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)cc2nn1C ZINC000574855138 823844172 /nfs/dbraw/zinc/84/41/72/823844172.db2.gz SIIHUPUYVYJXTB-KRWDZBQOSA-N 1 1 391.519 4.010 20 0 GIADMO COc1ccc(Cl)c(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000064561098 823844254 /nfs/dbraw/zinc/84/42/54/823844254.db2.gz HEXZTPIYKDOOGQ-UHFFFAOYSA-N 1 1 387.911 4.397 20 0 GIADMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000165353582 823845047 /nfs/dbraw/zinc/84/50/47/823845047.db2.gz WRMXHOFCGZNCCD-CZUORRHYSA-N 1 1 385.430 4.052 20 0 GIADMO CCOc1ccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000064563634 823846713 /nfs/dbraw/zinc/84/67/13/823846713.db2.gz GVZMPPXRVDXXQX-UHFFFAOYSA-N 1 1 395.425 4.358 20 0 GIADMO Cc1ccc([C@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)c2ccccc2Cl)cc1 ZINC000574869676 823848293 /nfs/dbraw/zinc/84/82/93/823848293.db2.gz LHFUPLUGTBPYJX-NRFANRHFSA-N 1 1 395.938 4.113 20 0 GIADMO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)nnn1-c1ccc(Cl)cc1 ZINC000165447864 823849294 /nfs/dbraw/zinc/84/92/94/823849294.db2.gz CFDSWVVUUJUIDU-CHWSQXEVSA-N 1 1 398.898 4.132 20 0 GIADMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192072084 823850407 /nfs/dbraw/zinc/85/04/07/823850407.db2.gz YKCSDKMXYJUAAZ-HOTGVXAUSA-N 1 1 379.932 4.124 20 0 GIADMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192072084 823850418 /nfs/dbraw/zinc/85/04/18/823850418.db2.gz YKCSDKMXYJUAAZ-HOTGVXAUSA-N 1 1 379.932 4.124 20 0 GIADMO Cc1noc(C)c1CC[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000165532823 823852179 /nfs/dbraw/zinc/85/21/79/823852179.db2.gz QBNMOPPLNBACPT-FQEVSTJZSA-N 1 1 382.504 4.137 20 0 GIADMO CC(C)c1nn(C)c2sc(C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cc12 ZINC000462173034 823853681 /nfs/dbraw/zinc/85/36/81/823853681.db2.gz ZRTHDECOJIUAIC-MAUKXSAKSA-N 1 1 396.560 4.009 20 0 GIADMO Cc1ccc(C)c(OC2CC[NH+](Cc3csc(-c4cnn(C)c4)n3)CC2)c1 ZINC000064632393 823855832 /nfs/dbraw/zinc/85/58/32/823855832.db2.gz XNEIULAXKPRYFM-UHFFFAOYSA-N 1 1 382.533 4.204 20 0 GIADMO Cc1cccc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000192094542 823858317 /nfs/dbraw/zinc/85/83/17/823858317.db2.gz ZJCGFZVFHMOFRM-IEBWSBKVSA-N 1 1 387.842 4.457 20 0 GIADMO Cc1cccc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000192094557 823858361 /nfs/dbraw/zinc/85/83/61/823858361.db2.gz ZJCGFZVFHMOFRM-HKUYNNGSSA-N 1 1 387.842 4.457 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000462184954 823859113 /nfs/dbraw/zinc/85/91/13/823859113.db2.gz CXMGDXPPMHIRPT-KXBFYZLASA-N 1 1 395.890 4.245 20 0 GIADMO O=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)[C@H]1CC[NH2+]CC1(F)F ZINC000574911460 823859562 /nfs/dbraw/zinc/85/95/62/823859562.db2.gz ZPHOVJXJXUGJJC-CYBMUJFWSA-N 1 1 391.418 4.286 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462188615 823861137 /nfs/dbraw/zinc/86/11/37/823861137.db2.gz ODWVYDRNBMLVIF-HUUCEWRRSA-N 1 1 399.348 4.272 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000192105278 823861557 /nfs/dbraw/zinc/86/15/57/823861557.db2.gz RQNAUJYPKUSRKJ-ROUUACIJSA-N 1 1 381.520 4.282 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000462193093 823863372 /nfs/dbraw/zinc/86/33/72/823863372.db2.gz VNFPECWCSBKNOC-OXQOHEQNSA-N 1 1 390.449 4.432 20 0 GIADMO CCc1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)n2)cc1 ZINC000192110974 823863875 /nfs/dbraw/zinc/86/38/75/823863875.db2.gz XKEPZRMDPNHVST-QUCCMNQESA-N 1 1 385.414 4.197 20 0 GIADMO CC[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)CC(F)(F)F ZINC000413910000 823864536 /nfs/dbraw/zinc/86/45/36/823864536.db2.gz NNJJVUQOAUSWFG-YESZJQIVSA-N 1 1 377.495 4.261 20 0 GIADMO CC[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000413909421 823864800 /nfs/dbraw/zinc/86/48/00/823864800.db2.gz MUCZOTDWIBKGRD-HNNXBMFYSA-N 1 1 389.437 4.022 20 0 GIADMO CC[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)CC(F)(F)F ZINC000413909421 823864806 /nfs/dbraw/zinc/86/48/06/823864806.db2.gz MUCZOTDWIBKGRD-HNNXBMFYSA-N 1 1 389.437 4.022 20 0 GIADMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462198685 823866183 /nfs/dbraw/zinc/86/61/83/823866183.db2.gz KMRQQYHUVLYMIJ-CABCVRRESA-N 1 1 375.900 4.188 20 0 GIADMO CCc1nc2c(s1)[C@H](N[C@@H](CC[N@@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994042 823867822 /nfs/dbraw/zinc/86/78/22/823867822.db2.gz YAJDSCJFKFSKFY-RBUKOAKNSA-N 1 1 387.593 4.382 20 0 GIADMO C[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1cccc(N2CCCC2)c1 ZINC000126440557 823867954 /nfs/dbraw/zinc/86/79/54/823867954.db2.gz RTQXGGCHAIIGIT-OAHLLOKOSA-N 1 1 388.471 4.120 20 0 GIADMO CCN(Cc1c(F)cccc1F)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000574949938 823869475 /nfs/dbraw/zinc/86/94/75/823869475.db2.gz ZUCTXSDRDFFAOA-UHFFFAOYSA-N 1 1 388.462 4.000 20 0 GIADMO CSCC[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000126446882 823869753 /nfs/dbraw/zinc/86/97/53/823869753.db2.gz KDLFUZQHNFMPSA-HOCLYGCPSA-N 1 1 391.562 4.092 20 0 GIADMO COc1ccc(-c2cnc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)o2)cc1 ZINC000192130883 823870869 /nfs/dbraw/zinc/87/08/69/823870869.db2.gz NZIBZWPJRNDRSB-GHTZIAJQSA-N 1 1 386.398 4.248 20 0 GIADMO C[C@@H](CCNC(=O)NCc1ccc(C(F)F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000462209518 823872640 /nfs/dbraw/zinc/87/26/40/823872640.db2.gz KUZPLIBHXMHWOG-INIZCTEOSA-N 1 1 375.463 4.334 20 0 GIADMO CCCOc1ccccc1Oc1ncccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166217312 823872927 /nfs/dbraw/zinc/87/29/27/823872927.db2.gz SRVRTHZMZFEZNZ-VQTJNVASSA-N 1 1 381.520 4.379 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)n2)ccc1F ZINC000192138127 823875049 /nfs/dbraw/zinc/87/50/49/823875049.db2.gz BIEHFWAMNDTLQG-HKUYNNGSSA-N 1 1 389.377 4.082 20 0 GIADMO CCc1c(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cnn1-c1ccc(C)cc1 ZINC000064735576 823875052 /nfs/dbraw/zinc/87/50/52/823875052.db2.gz NRWVOCOCKAPGSN-ZVDOUQERSA-N 1 1 394.563 4.221 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)o2)cc1 ZINC000064735295 823875137 /nfs/dbraw/zinc/87/51/37/823875137.db2.gz XUDBXIMFPUDCOV-SVFBPWRDSA-N 1 1 395.547 4.446 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000064736797 823876544 /nfs/dbraw/zinc/87/65/44/823876544.db2.gz WWWNYIPVQYGVCX-INIZCTEOSA-N 1 1 397.906 4.343 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000462219919 823878277 /nfs/dbraw/zinc/87/82/77/823878277.db2.gz BQWSCTGUIKVVMZ-JXFKEZNVSA-N 1 1 387.474 4.334 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C(F)F)cc1 ZINC000462219920 823878301 /nfs/dbraw/zinc/87/83/01/823878301.db2.gz BQWSCTGUIKVVMZ-OXJNMPFZSA-N 1 1 387.474 4.334 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(F)(F)c2ccccc2)C1 ZINC000462221388 823879424 /nfs/dbraw/zinc/87/94/24/823879424.db2.gz CMMYENFCUAXGJS-ZWKOTPCHSA-N 1 1 379.495 4.074 20 0 GIADMO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413978863 823882425 /nfs/dbraw/zinc/88/24/25/823882425.db2.gz IOQPYWLVQVHNQH-BBRMVZONSA-N 1 1 396.375 4.146 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1Br ZINC000462232259 823885411 /nfs/dbraw/zinc/88/54/11/823885411.db2.gz HPGDPVBNTNVHCZ-KDOFPFPSSA-N 1 1 388.309 4.091 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)c1 ZINC000167168432 823887525 /nfs/dbraw/zinc/88/75/25/823887525.db2.gz VGJKRIAYYJOSCM-ZWKOTPCHSA-N 1 1 385.504 4.278 20 0 GIADMO CCC1CCC([N@@H+](Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)C2CC2)CC1 ZINC000064808761 823889771 /nfs/dbraw/zinc/88/97/71/823889771.db2.gz SEUHRCUHYDIWAI-UHFFFAOYSA-N 1 1 383.492 4.055 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000462244606 823894022 /nfs/dbraw/zinc/89/40/22/823894022.db2.gz LJZINIBBLIKMNV-OXJNMPFZSA-N 1 1 392.528 4.452 20 0 GIADMO C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c2ccccc2C1 ZINC000126543414 823894868 /nfs/dbraw/zinc/89/48/68/823894868.db2.gz XHLBETRCAMUTIL-SJORKVTESA-N 1 1 390.405 4.167 20 0 GIADMO C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c2ccccc2C1 ZINC000126543414 823894872 /nfs/dbraw/zinc/89/48/72/823894872.db2.gz XHLBETRCAMUTIL-SJORKVTESA-N 1 1 390.405 4.167 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)s1 ZINC000414049036 823895349 /nfs/dbraw/zinc/89/53/49/823895349.db2.gz FGYADGNNJBFIMT-GJZGRUSLSA-N 1 1 393.578 4.115 20 0 GIADMO COC(=O)c1cnc([C@H](C)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000414049036 823895359 /nfs/dbraw/zinc/89/53/59/823895359.db2.gz FGYADGNNJBFIMT-GJZGRUSLSA-N 1 1 393.578 4.115 20 0 GIADMO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000192184658 823895421 /nfs/dbraw/zinc/89/54/21/823895421.db2.gz QJHCWGQWUWDBLX-HNNXBMFYSA-N 1 1 377.423 4.221 20 0 GIADMO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000462246949 823895697 /nfs/dbraw/zinc/89/56/97/823895697.db2.gz NARGQCYTXXBRKW-URLQWDBASA-N 1 1 391.353 4.028 20 0 GIADMO C[C@@H](NC(C)(C)C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1 ZINC000167853582 823897220 /nfs/dbraw/zinc/89/72/20/823897220.db2.gz KYXUIAOQZUSNKF-QZTJIDSGSA-N 1 1 381.520 4.423 20 0 GIADMO COC(=O)c1cnc([C@H](C)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000414065017 823899304 /nfs/dbraw/zinc/89/93/04/823899304.db2.gz OCEWHRRFAKLXNE-CVEARBPZSA-N 1 1 387.549 4.012 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000462252463 823899553 /nfs/dbraw/zinc/89/95/53/823899553.db2.gz KLHPHHNEDDRDTF-FQEVSTJZSA-N 1 1 381.520 4.146 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)ccc1OCc1ccccc1 ZINC000414069621 823900638 /nfs/dbraw/zinc/90/06/38/823900638.db2.gz RWMZMLNXVQJICK-KRWDZBQOSA-N 1 1 377.488 4.268 20 0 GIADMO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000168262926 823901287 /nfs/dbraw/zinc/90/12/87/823901287.db2.gz QSPUTPKKHDWUAO-CQSZACIVSA-N 1 1 376.488 4.102 20 0 GIADMO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000168246145 823901663 /nfs/dbraw/zinc/90/16/63/823901663.db2.gz ZVBVZWSPUJOQQT-KGLIPLIRSA-N 1 1 376.522 4.420 20 0 GIADMO COC(=O)c1cnc([C@H](C)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000414075791 823902691 /nfs/dbraw/zinc/90/26/91/823902691.db2.gz XVHZUWLRARZDFV-HOTGVXAUSA-N 1 1 387.549 4.155 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462262598 823904357 /nfs/dbraw/zinc/90/43/57/823904357.db2.gz MEDMBQLMMLRCQY-DOTOQJQBSA-N 1 1 389.446 4.238 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC000414085060 823905713 /nfs/dbraw/zinc/90/57/13/823905713.db2.gz XWKFMUSKIAUYFF-IINYFYTJSA-N 1 1 382.432 4.259 20 0 GIADMO Cc1cc(CNC(=O)N(CCc2ccc(F)cc2)C2CC2)cc(N2CCCC2)[nH+]1 ZINC000462266000 823905837 /nfs/dbraw/zinc/90/58/37/823905837.db2.gz JTXHIRLUWGTJEA-UHFFFAOYSA-N 1 1 396.510 4.046 20 0 GIADMO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414087759 823906571 /nfs/dbraw/zinc/90/65/71/823906571.db2.gz IQMKFPNHNACWAH-AGOPTVSRSA-N 1 1 376.972 4.334 20 0 GIADMO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414091589 823906959 /nfs/dbraw/zinc/90/69/59/823906959.db2.gz LUHFZTDKCGCKGA-KDXIVRHGSA-N 1 1 376.972 4.334 20 0 GIADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1Cl ZINC000192219746 823907543 /nfs/dbraw/zinc/90/75/43/823907543.db2.gz YFSAAVVYQKPRCX-QGZVFWFLSA-N 1 1 393.314 4.014 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462270673 823907655 /nfs/dbraw/zinc/90/76/55/823907655.db2.gz UXFUXSMGGBXONF-SFHVURJKSA-N 1 1 384.549 4.271 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097938 823911760 /nfs/dbraw/zinc/91/17/60/823911760.db2.gz UTYFTWSAFCGZDK-SFTDATJTSA-N 1 1 385.471 4.278 20 0 GIADMO Cc1cnn([C@H]2CC[N@H+]([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097938 823911769 /nfs/dbraw/zinc/91/17/69/823911769.db2.gz UTYFTWSAFCGZDK-SFTDATJTSA-N 1 1 385.471 4.278 20 0 GIADMO c1nc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)sc1-c1ccccc1 ZINC000126616717 823912241 /nfs/dbraw/zinc/91/22/41/823912241.db2.gz ONLRIEZWQLELLM-QGZVFWFLSA-N 1 1 375.501 4.232 20 0 GIADMO C[C@@H](CNC(=O)c1cnc(-c2ccccc2Cl)s1)[N@H+]1CCCC[C@@H]1C ZINC000064916814 823912248 /nfs/dbraw/zinc/91/22/48/823912248.db2.gz WPPACGBSPIWYKD-KBPBESRZSA-N 1 1 377.941 4.456 20 0 GIADMO CC(C)Oc1ccccc1CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575100749 823913128 /nfs/dbraw/zinc/91/31/28/823913128.db2.gz NYABLUSPLYXMCL-JOCHJYFZSA-N 1 1 394.559 4.435 20 0 GIADMO CCOc1ccc(F)c(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1F ZINC000462290049 823913709 /nfs/dbraw/zinc/91/37/09/823913709.db2.gz KRKXXGVJMWCFJE-RHSMWYFYSA-N 1 1 389.446 4.006 20 0 GIADMO C[C@H](NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414124075 823914483 /nfs/dbraw/zinc/91/44/83/823914483.db2.gz OXPVTBQYBWFVFM-FQEVSTJZSA-N 1 1 380.580 4.215 20 0 GIADMO O=C(c1cc2occc2[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000170235389 823918548 /nfs/dbraw/zinc/91/85/48/823918548.db2.gz QHVNPGXSBYJPKF-UHFFFAOYSA-N 1 1 385.467 4.308 20 0 GIADMO CC(C)(c1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1)C(F)(F)F ZINC000462312913 823921511 /nfs/dbraw/zinc/92/15/11/823921511.db2.gz BMCQLYLDHMDHPQ-UHFFFAOYSA-N 1 1 381.398 4.363 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC000414168955 823921545 /nfs/dbraw/zinc/92/15/45/823921545.db2.gz VDPQJEYHDSZWQH-LRDDRELGSA-N 1 1 394.924 4.402 20 0 GIADMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)ccc1SC ZINC000170644062 823924658 /nfs/dbraw/zinc/92/46/58/823924658.db2.gz AFVQKRXRTUXSTJ-LBPRGKRZSA-N 1 1 380.460 4.154 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)ccc1SC ZINC000170644062 823924662 /nfs/dbraw/zinc/92/46/62/823924662.db2.gz AFVQKRXRTUXSTJ-LBPRGKRZSA-N 1 1 380.460 4.154 20 0 GIADMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2c(F)cccc2F)ccc1SC ZINC000170644063 823924712 /nfs/dbraw/zinc/92/47/12/823924712.db2.gz AFVQKRXRTUXSTJ-GFCCVEGCSA-N 1 1 380.460 4.154 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(F)cccc2F)ccc1SC ZINC000170644063 823924719 /nfs/dbraw/zinc/92/47/19/823924719.db2.gz AFVQKRXRTUXSTJ-GFCCVEGCSA-N 1 1 380.460 4.154 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000170647277 823925512 /nfs/dbraw/zinc/92/55/12/823925512.db2.gz KAQHAGNVSUVYAA-FQEVSTJZSA-N 1 1 397.519 4.007 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1)c1ccn(C)n1 ZINC000414197503 823926462 /nfs/dbraw/zinc/92/64/62/823926462.db2.gz WOFJGARUJFQTIV-IAGOWNOFSA-N 1 1 375.476 4.059 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651067 823927283 /nfs/dbraw/zinc/92/72/83/823927283.db2.gz LNEDWSZVTAVLKD-INIZCTEOSA-N 1 1 385.483 4.046 20 0 GIADMO CC(C)CCc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cs1 ZINC000065041066 823929445 /nfs/dbraw/zinc/92/94/45/823929445.db2.gz YFGBSGPAJDQUHC-KRWDZBQOSA-N 1 1 377.598 4.202 20 0 GIADMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000414214620 823931044 /nfs/dbraw/zinc/93/10/44/823931044.db2.gz VXZIXKNYTHHUNC-CQSZACIVSA-N 1 1 381.925 4.383 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1C ZINC000126713854 823933731 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ATUCAFSHGJAJBU-GJZGRUSLSA-N 1 1 385.817 4.029 20 0 GIADMO O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC(c2cnc[nH]2)CC1 ZINC000575203030 823937684 /nfs/dbraw/zinc/93/76/84/823937684.db2.gz LTEXFYGUOPBWBE-GOEBONIOSA-N 1 1 379.291 4.162 20 0 GIADMO CC(C)CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414253526 823942109 /nfs/dbraw/zinc/94/21/09/823942109.db2.gz ZJPBJDDEUYLCPZ-QGZVFWFLSA-N 1 1 375.534 4.366 20 0 GIADMO CC(C)CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414253524 823942180 /nfs/dbraw/zinc/94/21/80/823942180.db2.gz ZJPBJDDEUYLCPZ-KRWDZBQOSA-N 1 1 375.534 4.366 20 0 GIADMO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126765428 823945742 /nfs/dbraw/zinc/94/57/42/823945742.db2.gz HGZCIXWJGSTWCP-UZUQRXQVSA-N 1 1 377.532 4.136 20 0 GIADMO Cc1nc2cc(C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)ccc2o1 ZINC000575227436 823947043 /nfs/dbraw/zinc/94/70/43/823947043.db2.gz PEAHZGQADQLTNX-IBGZPJMESA-N 1 1 377.488 4.168 20 0 GIADMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000126780532 823949575 /nfs/dbraw/zinc/94/95/75/823949575.db2.gz PKXWXBXAANVACQ-AUUYWEPGSA-N 1 1 376.859 4.270 20 0 GIADMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H](c2ccc(F)cc2)O1 ZINC000126780532 823949586 /nfs/dbraw/zinc/94/95/86/823949586.db2.gz PKXWXBXAANVACQ-AUUYWEPGSA-N 1 1 376.859 4.270 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2csc(Br)c2)C1 ZINC000065140476 823950758 /nfs/dbraw/zinc/95/07/58/823950758.db2.gz YMGUXXUXIRUORD-SWLSCSKDSA-N 1 1 379.323 4.076 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccoc1Cl ZINC000192343696 823954055 /nfs/dbraw/zinc/95/40/55/823954055.db2.gz JBLNSENQYMEGNE-MRXNPFEDSA-N 1 1 384.867 4.137 20 0 GIADMO Cc1ccc(C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C(C)C)s1 ZINC000065161938 823954919 /nfs/dbraw/zinc/95/49/19/823954919.db2.gz JVQLQRHUGPPPQQ-UHFFFAOYSA-N 1 1 382.476 4.185 20 0 GIADMO O[C@@H](CSc1nccn1-c1cccc(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000065169958 823956158 /nfs/dbraw/zinc/95/61/58/823956158.db2.gz XVGVFCNBUIWAGN-HXUWFJFHSA-N 1 1 399.947 4.037 20 0 GIADMO COCCCC[N@@H+](CC(=O)Nc1cccc2c1N=S=N2)Cc1ccccc1 ZINC000065165695 823956231 /nfs/dbraw/zinc/95/62/31/823956231.db2.gz CPQIDPBFCVDEER-UHFFFAOYSA-N 1 1 384.505 4.280 20 0 GIADMO COCCCC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000065165625 823956338 /nfs/dbraw/zinc/95/63/38/823956338.db2.gz YJUKGAYXQWGMEA-UHFFFAOYSA-N 1 1 381.472 4.236 20 0 GIADMO CC(C)([NH2+]Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000065188188 823957862 /nfs/dbraw/zinc/95/78/62/823957862.db2.gz HEXYGVWNJNRKQS-UHFFFAOYSA-N 1 1 389.253 4.189 20 0 GIADMO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCc4nnc(C5CC5)s4)[C@@H]3C2)cc1 ZINC000414327557 823958902 /nfs/dbraw/zinc/95/89/02/823958902.db2.gz OSSDLRWMXRQLCF-ZCNNSNEGSA-N 1 1 382.577 4.196 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)c1 ZINC000575348622 823959949 /nfs/dbraw/zinc/95/99/49/823959949.db2.gz VCOXVNCDPNYLIE-NQIIRXRSSA-N 1 1 393.531 4.235 20 0 GIADMO Cc1cc(CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc(N2CCCC2)[nH+]1 ZINC000575367701 823962982 /nfs/dbraw/zinc/96/29/82/823962982.db2.gz PURQCCHQZCTLMF-GOSISDBHSA-N 1 1 391.437 4.343 20 0 GIADMO C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126838905 823963459 /nfs/dbraw/zinc/96/34/59/823963459.db2.gz XUFANAKTFSQJOK-MOPGFXCFSA-N 1 1 397.588 4.438 20 0 GIADMO C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000126838905 823963463 /nfs/dbraw/zinc/96/34/63/823963463.db2.gz XUFANAKTFSQJOK-MOPGFXCFSA-N 1 1 397.588 4.438 20 0 GIADMO CO[C@](C)(C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccccc1F ZINC000192374521 823964087 /nfs/dbraw/zinc/96/40/87/823964087.db2.gz JTHOQOTYSYUYIX-NYHFZMIOSA-N 1 1 381.451 4.059 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126851939 823966834 /nfs/dbraw/zinc/96/68/34/823966834.db2.gz FFJTYBPPWZXTSC-HXUWFJFHSA-N 1 1 397.519 4.073 20 0 GIADMO CCc1ncc(C[N@H+](C)Cc2ccc(OCc3ccccc3)c(OC)c2)cn1 ZINC000414375223 823968754 /nfs/dbraw/zinc/96/87/54/823968754.db2.gz YEHQODORVGTMPU-UHFFFAOYSA-N 1 1 377.488 4.259 20 0 GIADMO CCc1ncc(C[N@@H+](C)Cc2ccc(OCc3ccccc3)c(OC)c2)cn1 ZINC000414375223 823968760 /nfs/dbraw/zinc/96/87/60/823968760.db2.gz YEHQODORVGTMPU-UHFFFAOYSA-N 1 1 377.488 4.259 20 0 GIADMO Cn1cc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c(-c2cc3ccccc3o2)n1 ZINC000126894287 823975767 /nfs/dbraw/zinc/97/57/67/823975767.db2.gz JBHKXVDQARRGGW-HXUWFJFHSA-N 1 1 375.472 4.389 20 0 GIADMO COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000575751129 823985955 /nfs/dbraw/zinc/98/59/55/823985955.db2.gz KNABFTWOEXATJL-BJESRGMDSA-N 1 1 394.515 4.000 20 0 GIADMO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](Cc3cccnc3N)C2)n1 ZINC000575750793 823985969 /nfs/dbraw/zinc/98/59/69/823985969.db2.gz SWJAWTUPVLPSMB-MRXNPFEDSA-N 1 1 380.517 4.176 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccn2)C1 ZINC000192425514 823987512 /nfs/dbraw/zinc/98/75/12/823987512.db2.gz FFTCSBTUGPUFQK-CABCVRRESA-N 1 1 384.446 4.219 20 0 GIADMO COc1cccc(COC[C@@H](O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000126957780 823989487 /nfs/dbraw/zinc/98/94/87/823989487.db2.gz GXISTNRRQWVPLT-JTHBVZDNSA-N 1 1 398.547 4.003 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ncc(Br)s3)c2C1 ZINC000192438086 823992961 /nfs/dbraw/zinc/99/29/61/823992961.db2.gz MRUFRMLIGAOGCV-UHFFFAOYSA-N 1 1 380.311 4.130 20 0 GIADMO COc1cc(C[NH2+]Cc2cc(C)ccc2Br)cc(OC)c1OC ZINC000414514496 823999539 /nfs/dbraw/zinc/99/95/39/823999539.db2.gz LYVKGWPONSGQAJ-UHFFFAOYSA-N 1 1 380.282 4.073 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+]3CCC[C@H](N4CCCC4=O)CC3)cc2)cs1 ZINC000414543879 824006957 /nfs/dbraw/zinc/00/69/57/824006957.db2.gz CNLXYLDZNKXLOJ-FQEVSTJZSA-N 1 1 399.560 4.007 20 0 GIADMO Cc1ncc([C@@H](C)[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)s1 ZINC000127049726 824007386 /nfs/dbraw/zinc/00/73/86/824007386.db2.gz PZQSNNCNNMEEBO-MLGOLLRUSA-N 1 1 397.466 4.485 20 0 GIADMO CC[C@@H]1C[C@H](C[N@@H+](C[C@H](O)COc2ccccc2SC)C(C)C)CCO1 ZINC000414544876 824007398 /nfs/dbraw/zinc/00/73/98/824007398.db2.gz FRFYVBKKVXQSAR-CEXWTWQISA-N 1 1 381.582 4.064 20 0 GIADMO CC[C@@H]1C[C@@H](C[N@@H+](C[C@H](O)COc2ccccc2SC)C(C)C)CCO1 ZINC000414544881 824007527 /nfs/dbraw/zinc/00/75/27/824007527.db2.gz FRFYVBKKVXQSAR-GBESFXJTSA-N 1 1 381.582 4.064 20 0 GIADMO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414556482 824011463 /nfs/dbraw/zinc/01/14/63/824011463.db2.gz VXOVXEMDYMINSR-BROZXCPCSA-N 1 1 378.463 4.168 20 0 GIADMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000575848792 824011849 /nfs/dbraw/zinc/01/18/49/824011849.db2.gz ONZZXXIYCFKNMD-UZLBHIALSA-N 1 1 381.501 4.079 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Cc2cc(F)c(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000127078794 824012936 /nfs/dbraw/zinc/01/29/36/824012936.db2.gz XDPVDJKUEBSJLK-MAUKXSAKSA-N 1 1 390.449 4.158 20 0 GIADMO COc1ccc(C[C@@H]([NH2+]Cc2nccn2C(F)F)c2ccc(OC)cc2)cc1 ZINC000192504819 824013626 /nfs/dbraw/zinc/01/36/26/824013626.db2.gz HLBZCYMFMHSHMN-LJQANCHMSA-N 1 1 387.430 4.369 20 0 GIADMO NC(=O)C[N@@H+]1CCc2ccc(N[C@H]3CCCc4c5ccccc5sc43)cc2C1 ZINC000575859420 824014449 /nfs/dbraw/zinc/01/44/49/824014449.db2.gz SEYOMHVRWDDQLO-FQEVSTJZSA-N 1 1 391.540 4.234 20 0 GIADMO NC(=O)C[N@H+]1CCc2ccc(N[C@H]3CCCc4c5ccccc5sc43)cc2C1 ZINC000575859420 824014454 /nfs/dbraw/zinc/01/44/54/824014454.db2.gz SEYOMHVRWDDQLO-FQEVSTJZSA-N 1 1 391.540 4.234 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2nc(-c3ccc(OC)cc3OC)no2)C2CC2)cc1 ZINC000192508372 824014936 /nfs/dbraw/zinc/01/49/36/824014936.db2.gz ROMUVFUUKDWBJL-NRFANRHFSA-N 1 1 395.459 4.003 20 0 GIADMO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nccn1CC(F)(F)F ZINC000170987993 824028739 /nfs/dbraw/zinc/02/87/39/824028739.db2.gz QAYRVIITTPQRHQ-UHFFFAOYSA-N 1 1 395.404 4.039 20 0 GIADMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nccn1CC(F)(F)F ZINC000170987993 824028743 /nfs/dbraw/zinc/02/87/43/824028743.db2.gz QAYRVIITTPQRHQ-UHFFFAOYSA-N 1 1 395.404 4.039 20 0 GIADMO O=C([C@H]1CC[NH2+]CC1(F)F)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000575915741 824029219 /nfs/dbraw/zinc/02/92/19/824029219.db2.gz PQCHPHHKGJNKCK-HUUCEWRRSA-N 1 1 376.369 4.004 20 0 GIADMO COCc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000192570618 824035074 /nfs/dbraw/zinc/03/50/74/824035074.db2.gz GSKGJBUTYWNQNU-GGAORHGYSA-N 1 1 393.531 4.351 20 0 GIADMO Clc1ccccc1Cn1cc(CNC2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000414786224 824036097 /nfs/dbraw/zinc/03/60/97/824036097.db2.gz JRKFYCUTSPRGCT-UHFFFAOYSA-N 1 1 380.923 4.093 20 0 GIADMO CC[C@H](C(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000575961953 824038785 /nfs/dbraw/zinc/03/87/85/824038785.db2.gz SJZBBEXFIBORHQ-BDTNDASRSA-N 1 1 384.495 4.073 20 0 GIADMO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(Cl)cc2cccnc21 ZINC000192597980 824041850 /nfs/dbraw/zinc/04/18/50/824041850.db2.gz FGQMYBPEDLNIBV-UHFFFAOYSA-N 1 1 381.907 4.357 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1nc(C(F)(F)F)cs1 ZINC000192601037 824042703 /nfs/dbraw/zinc/04/27/03/824042703.db2.gz KEOYUMSWDGBOPG-SNVBAGLBSA-N 1 1 387.452 4.316 20 0 GIADMO O=C(C[C@@H]1CCC[N@@H+](CCc2ccc(F)c(F)c2)C1)NCc1ccc(F)cc1 ZINC000575985268 824044172 /nfs/dbraw/zinc/04/41/72/824044172.db2.gz DFGIWTGWRHSPTP-SFHVURJKSA-N 1 1 390.449 4.065 20 0 GIADMO Cn1cc([C@@H]2C[N@@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2(C)C)cn1 ZINC000575998457 824047279 /nfs/dbraw/zinc/04/72/79/824047279.db2.gz NUMCVAISVNNEHI-INIZCTEOSA-N 1 1 397.548 4.036 20 0 GIADMO Cn1cc([C@H]2C[N@@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2(C)C)cn1 ZINC000575998458 824047353 /nfs/dbraw/zinc/04/73/53/824047353.db2.gz NUMCVAISVNNEHI-MRXNPFEDSA-N 1 1 397.548 4.036 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)C[C@H](C)c1cnn(C)c1 ZINC000414919192 824050030 /nfs/dbraw/zinc/05/00/30/824050030.db2.gz WJQQZQWEFCHKPR-LBPRGKRZSA-N 1 1 391.397 4.065 20 0 GIADMO Clc1ccc(CCCC[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1Cl ZINC000192629907 824050303 /nfs/dbraw/zinc/05/03/03/824050303.db2.gz NQZJLQANAVGDBB-KRWDZBQOSA-N 1 1 385.379 4.407 20 0 GIADMO COc1ccc2onc(CC(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)c2c1 ZINC000414928425 824051519 /nfs/dbraw/zinc/05/15/19/824051519.db2.gz NBVDGBCFBHFHLQ-MRXNPFEDSA-N 1 1 393.487 4.250 20 0 GIADMO CCC(CC)(CN[C@@H](c1nnc[nH]1)c1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC000576023560 824051865 /nfs/dbraw/zinc/05/18/65/824051865.db2.gz VJWGQXDQFVYQOL-WIYYLYMNSA-N 1 1 377.536 4.393 20 0 GIADMO COc1ccc(OCc2nc(C[NH2+][C@@H]3CCCc4cc(N)ccc43)cs2)cc1 ZINC000414940718 824052455 /nfs/dbraw/zinc/05/24/55/824052455.db2.gz XTXMXCCGHIISHO-OAQYLSRUSA-N 1 1 395.528 4.480 20 0 GIADMO CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)cs2)cc1 ZINC000171064371 824052973 /nfs/dbraw/zinc/05/29/73/824052973.db2.gz BTPIWOBAZJBJPC-KXBFYZLASA-N 1 1 390.574 4.368 20 0 GIADMO CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)cs2)cc1 ZINC000171064371 824052979 /nfs/dbraw/zinc/05/29/79/824052979.db2.gz BTPIWOBAZJBJPC-KXBFYZLASA-N 1 1 390.574 4.368 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000576039382 824055684 /nfs/dbraw/zinc/05/56/84/824055684.db2.gz VREAUIGFRFJSQM-OALUTQOASA-N 1 1 397.485 4.273 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)CC1 ZINC000071956393 222199041 /nfs/dbraw/zinc/19/90/41/222199041.db2.gz ABKFFXBOPQOYAR-UHFFFAOYSA-N 1 1 390.531 4.175 20 0 GIADMO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000238860543 570679815 /nfs/dbraw/zinc/67/98/15/570679815.db2.gz ZVVPTEXHEKUPAB-VXKWHMMOSA-N 1 1 381.520 4.304 20 0 GIADMO COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000238860543 570679819 /nfs/dbraw/zinc/67/98/19/570679819.db2.gz ZVVPTEXHEKUPAB-VXKWHMMOSA-N 1 1 381.520 4.304 20 0 GIADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1nc(Cl)c3cc(Cl)ccc3n1)C2 ZINC001164440511 718989052 /nfs/dbraw/zinc/98/90/52/718989052.db2.gz OUZJEINCVWWTLD-UHFFFAOYSA-N 1 1 384.217 4.007 20 0 GIADMO FC(F)(c1cccnc1Cl)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621463 719054196 /nfs/dbraw/zinc/05/41/96/719054196.db2.gz JIYJHVKZIOTKCJ-FUHWJXTLSA-N 1 1 377.866 4.381 20 0 GIADMO Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164621974 719056198 /nfs/dbraw/zinc/05/61/98/719056198.db2.gz KJTFXWJFOUTCIU-IRXDYDNUSA-N 1 1 392.881 4.084 20 0 GIADMO Clc1ncnc2scc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c21 ZINC001164626527 719072493 /nfs/dbraw/zinc/07/24/93/719072493.db2.gz OFAMUSDOILYRPV-JKSUJKDBSA-N 1 1 384.936 4.446 20 0 GIADMO CCOC(=O)c1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1Cl ZINC001164622456 719090932 /nfs/dbraw/zinc/09/09/32/719090932.db2.gz BZSWFRFGLJOQID-PKOBYXMFSA-N 1 1 399.922 4.013 20 0 GIADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H](C)[N@@H+](C)C[C@H]3C)c(Cl)nn2)cc1 ZINC001164635880 719257513 /nfs/dbraw/zinc/25/75/13/719257513.db2.gz QXLIWBVVDQCLGF-UONOGXRCSA-N 1 1 380.870 4.179 20 0 GIADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H](C)[N@H+](C)C[C@H]3C)c(Cl)nn2)cc1 ZINC001164635880 719257515 /nfs/dbraw/zinc/25/75/15/719257515.db2.gz QXLIWBVVDQCLGF-UONOGXRCSA-N 1 1 380.870 4.179 20 0 GIADMO Cc1nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(Cl)cc1Cl ZINC001164651358 719313958 /nfs/dbraw/zinc/31/39/58/719313958.db2.gz JRLJPHDNXKWXFB-UHFFFAOYSA-N 1 1 382.339 4.099 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ccc2F)CC3)cs1 ZINC001164692229 719805815 /nfs/dbraw/zinc/80/58/15/719805815.db2.gz LUNNDBPYIYCFPV-UHFFFAOYSA-N 1 1 380.920 4.274 20 0 GIADMO CCCc1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc(C)n1 ZINC001164692162 719811246 /nfs/dbraw/zinc/81/12/46/719811246.db2.gz MPIRSNDFWXEZAK-UHFFFAOYSA-N 1 1 385.581 4.137 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3c(C)ccc(F)c3cc1C)C2 ZINC001164813249 720137898 /nfs/dbraw/zinc/13/78/98/720137898.db2.gz PXJXVXBTMHIUGA-NTKDMRAZSA-N 1 1 397.538 4.175 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc3cc(C)ccc31)C2 ZINC001164813183 720147843 /nfs/dbraw/zinc/14/78/43/720147843.db2.gz PSVFCMKZFSHJBB-AUSIDOKSSA-N 1 1 399.966 4.381 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccc(C)c(C)c3n1)C2 ZINC001164815070 720173963 /nfs/dbraw/zinc/17/39/63/720173963.db2.gz HVLJEFAIKHCHKQ-OFVILXPXSA-N 1 1 393.575 4.345 20 0 GIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724465 720335916 /nfs/dbraw/zinc/33/59/16/720335916.db2.gz KCWNJPYDMOOIRN-HUUCEWRRSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724465 720335918 /nfs/dbraw/zinc/33/59/18/720335918.db2.gz KCWNJPYDMOOIRN-HUUCEWRRSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164727375 720337957 /nfs/dbraw/zinc/33/79/57/720337957.db2.gz UBLHUPDRHQXNTB-JKSUJKDBSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)ncc1Cl)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164727375 720337966 /nfs/dbraw/zinc/33/79/66/720337966.db2.gz UBLHUPDRHQXNTB-JKSUJKDBSA-N 1 1 399.272 4.182 20 0 GIADMO Clc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(-c2ccccc2)nn1 ZINC001164730289 720385499 /nfs/dbraw/zinc/38/54/99/720385499.db2.gz WMMLFOQYUAGXQR-OALUTQOASA-N 1 1 391.906 4.045 20 0 GIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164726337 720411159 /nfs/dbraw/zinc/41/11/59/720411159.db2.gz BMNILVUSROPDFJ-WOJBJXKFSA-N 1 1 394.906 4.145 20 0 GIADMO Clc1cccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)c1 ZINC001164734389 720441726 /nfs/dbraw/zinc/44/17/26/720441726.db2.gz RTUJIRANAAXDBP-RTWAWAEBSA-N 1 1 391.906 4.045 20 0 GIADMO Clc1cccc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nn2)c1 ZINC001164734386 720442101 /nfs/dbraw/zinc/44/21/01/720442101.db2.gz RTUJIRANAAXDBP-LEWJYISDSA-N 1 1 391.906 4.045 20 0 GIADMO Fc1cccc2c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164728239 720477394 /nfs/dbraw/zinc/47/73/94/720477394.db2.gz OOQPZAORGZZQBH-QZTJIDSGSA-N 1 1 382.870 4.276 20 0 GIADMO Fc1cccc2cc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731122 720489151 /nfs/dbraw/zinc/48/91/51/720489151.db2.gz VUIDHQJQUBMLDD-ZWKOTPCHSA-N 1 1 382.870 4.276 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H](O)[C@@H]2Cc2ccccc2)nc1 ZINC001164832567 720494364 /nfs/dbraw/zinc/49/43/64/720494364.db2.gz JRUQWUXLEJBVLV-XPWALMASSA-N 1 1 379.548 4.201 20 0 GIADMO Cc1cccc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc12 ZINC001164833261 720506715 /nfs/dbraw/zinc/50/67/15/720506715.db2.gz CKJPKRAWFGARDL-FDFHNCONSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1cc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834433 720523098 /nfs/dbraw/zinc/52/30/98/720523098.db2.gz GJHNABNELMSXGN-QNWVGRARSA-N 1 1 389.547 4.118 20 0 GIADMO Cc1cc(Cl)ncc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164859916 720962427 /nfs/dbraw/zinc/96/24/27/720962427.db2.gz OLYAYAARBJJHFH-AWEZNQCLSA-N 1 1 397.901 4.206 20 0 GIADMO Cc1c(Cl)cnc(Cl)c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164856339 720994184 /nfs/dbraw/zinc/99/41/84/720994184.db2.gz BOMBSUAZDRJLAJ-ZDUSSCGKSA-N 1 1 382.339 4.315 20 0 GIADMO CC(C)c1ccc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1 ZINC001164857235 721005204 /nfs/dbraw/zinc/00/52/04/721005204.db2.gz FBUKEPYKXQLTMO-QGZVFWFLSA-N 1 1 392.551 4.371 20 0 GIADMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)CC2 ZINC001164873407 721326822 /nfs/dbraw/zinc/32/68/22/721326822.db2.gz BTCJUSMPCGVCHZ-UHFFFAOYSA-N 1 1 394.853 4.068 20 0 GIADMO CC(C)(C)c1cc2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2s1 ZINC001164787536 721400890 /nfs/dbraw/zinc/40/08/90/721400890.db2.gz PTJVIUVYBVWGLO-OKILXGFUSA-N 1 1 399.589 4.014 20 0 GIADMO CC(C)(C)c1cc2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2s1 ZINC001164787536 721400893 /nfs/dbraw/zinc/40/08/93/721400893.db2.gz PTJVIUVYBVWGLO-OKILXGFUSA-N 1 1 399.589 4.014 20 0 GIADMO Clc1cc(-c2ccccc2)cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785685 721409287 /nfs/dbraw/zinc/40/92/87/721409287.db2.gz NUKDJRYCHDXKTB-HDICACEKSA-N 1 1 396.947 4.427 20 0 GIADMO Clc1cc(-c2ccccc2)cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785685 721409291 /nfs/dbraw/zinc/40/92/91/721409291.db2.gz NUKDJRYCHDXKTB-HDICACEKSA-N 1 1 396.947 4.427 20 0 GIADMO Cc1ccc2cc(Cl)nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164784030 721418891 /nfs/dbraw/zinc/41/88/91/721418891.db2.gz JXJXGAVNNHUTNM-HZPDHXFCSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(C)c1Cl ZINC001164792307 721497410 /nfs/dbraw/zinc/49/74/10/721497410.db2.gz NVCPTDCDGZFQSQ-UHFFFAOYSA-N 1 1 385.943 4.023 20 0 GIADMO FC1(F)CCN(c2ccc3ccccc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164903966 721584378 /nfs/dbraw/zinc/58/43/78/721584378.db2.gz PNFDEEDIKIRJAQ-JOCHJYFZSA-N 1 1 394.469 4.368 20 0 GIADMO Cc1cc(Cl)cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908444 721745656 /nfs/dbraw/zinc/74/56/56/721745656.db2.gz JDJKRWHWPDATMH-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1cc(Cl)cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908444 721745657 /nfs/dbraw/zinc/74/56/57/721745657.db2.gz JDJKRWHWPDATMH-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1ccc2nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)ncc2c1 ZINC001164909515 721755819 /nfs/dbraw/zinc/75/58/19/721755819.db2.gz GFPCORKWUQXWEX-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1ccc2nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)ncc2c1 ZINC001164909515 721755821 /nfs/dbraw/zinc/75/58/21/721755821.db2.gz GFPCORKWUQXWEX-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO CSCc1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909611 721762596 /nfs/dbraw/zinc/76/25/96/721762596.db2.gz CUGGZDRFBYOZFF-UHFFFAOYSA-N 1 1 394.544 4.127 20 0 GIADMO CSCc1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1 ZINC001164909611 721762599 /nfs/dbraw/zinc/76/25/99/721762599.db2.gz CUGGZDRFBYOZFF-UHFFFAOYSA-N 1 1 394.544 4.127 20 0 GIADMO CSCc1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909658 721764065 /nfs/dbraw/zinc/76/40/65/721764065.db2.gz FEBBXNAPTLNUOA-UHFFFAOYSA-N 1 1 394.544 4.127 20 0 GIADMO CSCc1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909658 721764074 /nfs/dbraw/zinc/76/40/74/721764074.db2.gz FEBBXNAPTLNUOA-UHFFFAOYSA-N 1 1 394.544 4.127 20 0 GIADMO Cc1nc2sccc2c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165028864 721798481 /nfs/dbraw/zinc/79/84/81/721798481.db2.gz ZYRFNGZBVWBEMK-PWIZWCRZSA-N 1 1 393.560 4.132 20 0 GIADMO Cc1csc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165019639 721799389 /nfs/dbraw/zinc/79/93/89/721799389.db2.gz DKDZUCGRNFEXGZ-WDSOQIARSA-N 1 1 393.560 4.132 20 0 GIADMO CC(C)Oc1cccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023497 721815351 /nfs/dbraw/zinc/81/53/51/721815351.db2.gz HFURKHSZFWLGBY-JBACZVJFSA-N 1 1 380.536 4.001 20 0 GIADMO CC(C)Oc1cccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165023496 721815546 /nfs/dbraw/zinc/81/55/46/721815546.db2.gz HFURKHSZFWLGBY-CEWLAPEOSA-N 1 1 380.536 4.001 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4[nH]ccc4cc3Cl)C[C@@H]21 ZINC001165028171 721816839 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XGZXAKDXBHYJEQ-HQRMLTQVSA-N 1 1 399.970 4.133 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nccc5ccoc54)CC3)C2)cc1 ZINC001164939842 721922116 /nfs/dbraw/zinc/92/21/16/721922116.db2.gz NXSUYXDVZIEBAN-UHFFFAOYSA-N 1 1 377.488 4.008 20 0 GIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCCC[C@@H]3c3cccnc3)C2)cc1 ZINC001165045775 721962987 /nfs/dbraw/zinc/96/29/87/721962987.db2.gz AMXVWZOOIYJGRN-HSZRJFAPSA-N 1 1 385.515 4.162 20 0 GIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCCC[C@@H]3c3cccnc3)C2)cc1 ZINC001165045775 721962990 /nfs/dbraw/zinc/96/29/90/721962990.db2.gz AMXVWZOOIYJGRN-HSZRJFAPSA-N 1 1 385.515 4.162 20 0 GIADMO Clc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2cccnc2n1 ZINC001164952985 722016510 /nfs/dbraw/zinc/01/65/10/722016510.db2.gz QHFLNXBOFOYDJJ-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Clc1cccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ncc12 ZINC001164953615 722018755 /nfs/dbraw/zinc/01/87/55/722018755.db2.gz VUURYEHXVKLKOL-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO CC(C)(C)c1cc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955641 722020698 /nfs/dbraw/zinc/02/06/98/722020698.db2.gz LQKGVCOPAUPFKA-UHFFFAOYSA-N 1 1 399.970 4.315 20 0 GIADMO Cc1cc2c(ncnc2N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)s1 ZINC001164993207 722191373 /nfs/dbraw/zinc/19/13/73/722191373.db2.gz CKZSJNPDIPYTDH-NRFANRHFSA-N 1 1 382.508 4.384 20 0 GIADMO Cc1nc2ccsc2c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164993941 722191397 /nfs/dbraw/zinc/19/13/97/722191397.db2.gz JQUPTZLJBFCNRV-OAQYLSRUSA-N 1 1 382.508 4.384 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nnc(Cl)c4ccncc42)C3)c1 ZINC001164993654 722194650 /nfs/dbraw/zinc/19/46/50/722194650.db2.gz GVRCZSAZJTYQDI-OAQYLSRUSA-N 1 1 397.885 4.062 20 0 GIADMO Cn1ccc2c1nc(Cl)nc2N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164993203 722197045 /nfs/dbraw/zinc/19/70/45/722197045.db2.gz CJYJJHPNIJJNJH-OAQYLSRUSA-N 1 1 399.901 4.006 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc4ncccc4nc2Cl)C3)c1 ZINC001164993675 722198987 /nfs/dbraw/zinc/19/89/87/722198987.db2.gz HHSGNUYRTJVGSI-NRFANRHFSA-N 1 1 397.885 4.062 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc4ncccc4nc2Cl)C3)c1 ZINC001164993675 722198989 /nfs/dbraw/zinc/19/89/89/722198989.db2.gz HHSGNUYRTJVGSI-NRFANRHFSA-N 1 1 397.885 4.062 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2cnnc(Cl)c2)C3)c1 ZINC001164996359 722200077 /nfs/dbraw/zinc/20/00/77/722200077.db2.gz UJKZCOXUOOYLJU-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2cnnc(Cl)c2)C3)c1 ZINC001164996359 722200079 /nfs/dbraw/zinc/20/00/79/722200079.db2.gz UJKZCOXUOOYLJU-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO COc1cccc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c21 ZINC001164994076 722208703 /nfs/dbraw/zinc/20/87/03/722208703.db2.gz FIWBCSLREXOCCB-QHCPKHFHSA-N 1 1 392.478 4.022 20 0 GIADMO CCc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(Cl)nc1C ZINC001164998808 722212601 /nfs/dbraw/zinc/21/26/01/722212601.db2.gz YFRDOBCTGMTTTC-OAQYLSRUSA-N 1 1 388.918 4.385 20 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393.487 4.490 20 0 GIADMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000187403540 823056656 /nfs/dbraw/zinc/05/66/56/823056656.db2.gz GUAIMAMOOZBIBL-BJOOFOGMSA-N 1 1 378.289 4.079 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ncc(Br)cc1F ZINC000187403540 823056663 /nfs/dbraw/zinc/05/66/63/823056663.db2.gz GUAIMAMOOZBIBL-BJOOFOGMSA-N 1 1 378.289 4.079 20 0 GIADMO Cc1cc(C)c(NC(=O)CNc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000055870230 823057420 /nfs/dbraw/zinc/05/74/20/823057420.db2.gz OOBRUOVVTQFSTL-BGYRXZFFSA-N 1 1 395.547 4.272 20 0 GIADMO Cc1ncc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000570584931 823057446 /nfs/dbraw/zinc/05/74/46/823057446.db2.gz AMVYWCZQHKTBIR-FOUFQHLJSA-N 1 1 399.926 4.174 20 0 GIADMO Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cccn2)cc(Cl)c1Br ZINC000570587191 823057805 /nfs/dbraw/zinc/05/78/05/823057805.db2.gz QMECNFYSEVQZBZ-UHFFFAOYSA-N 1 1 391.656 4.244 20 0 GIADMO Cc1nn(C)c2ncc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3cccs3)cc12 ZINC000175863824 823058333 /nfs/dbraw/zinc/05/83/33/823058333.db2.gz SZBLKGPJICHCDF-HKUYNNGSSA-N 1 1 384.549 4.207 20 0 GIADMO CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000175871801 823060452 /nfs/dbraw/zinc/06/04/52/823060452.db2.gz ZMFFXPHIAFRCBU-UHFFFAOYSA-N 1 1 379.932 4.347 20 0 GIADMO CCC[N@@H+](CCc1cccs1)Cc1ncc(I)s1 ZINC000570605283 823061054 /nfs/dbraw/zinc/06/10/54/823061054.db2.gz TZARBMJIIFPMFE-UHFFFAOYSA-N 1 1 392.331 4.264 20 0 GIADMO O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000570605664 823061349 /nfs/dbraw/zinc/06/13/49/823061349.db2.gz AKYOEPZBAAQIHD-RZUBCFFCSA-N 1 1 397.950 4.400 20 0 GIADMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000055898150 823063428 /nfs/dbraw/zinc/06/34/28/823063428.db2.gz HNYMPDYTKREVHF-GOSISDBHSA-N 1 1 381.501 4.471 20 0 GIADMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000055899656 823063587 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CC(=O)N1CC[NH+](Cc2ccccc2NCc2cc(Cl)ccc2Cl)CC1 ZINC000187519238 823079895 /nfs/dbraw/zinc/07/98/95/823079895.db2.gz MRNOPCPIBCIVLF-UHFFFAOYSA-N 1 1 392.330 4.270 20 0 GIADMO COc1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc(Cl)c1OC ZINC000187520253 823080013 /nfs/dbraw/zinc/08/00/13/823080013.db2.gz VPMFNKTWNNYVKX-LJQANCHMSA-N 1 1 389.858 4.109 20 0 GIADMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458741879 823080263 /nfs/dbraw/zinc/08/02/63/823080263.db2.gz NEJCSJSEBWVJJJ-ISARSNTHSA-N 1 1 397.485 4.269 20 0 GIADMO O=C(c1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1)N1CCCC1 ZINC000175960579 823082721 /nfs/dbraw/zinc/08/27/21/823082721.db2.gz RCBJLUGPTUSJTA-XMMPIXPASA-N 1 1 392.543 4.146 20 0 GIADMO Cc1nc(COc2ccc(C[NH+]3CCN(c4cc(C)ccn4)CC3)cc2)cs1 ZINC000120894578 823083310 /nfs/dbraw/zinc/08/33/10/823083310.db2.gz LBOXQYXDUUZQIL-UHFFFAOYSA-N 1 1 394.544 4.056 20 0 GIADMO CCOc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1Cl ZINC000570765013 823083526 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4.083 20 0 GIADMO CCOC(=O)c1noc(C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459397773 823183189 /nfs/dbraw/zinc/18/31/89/823183189.db2.gz JTOAGAWGKRGOIR-LSDHHAIUSA-N 1 1 397.397 4.033 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1OCc1ccccc1 ZINC000459386892 823179846 /nfs/dbraw/zinc/17/98/46/823179846.db2.gz BVBKUTOBTKRRKY-MRXNPFEDSA-N 1 1 375.472 4.489 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000056611590 823180731 /nfs/dbraw/zinc/18/07/31/823180731.db2.gz PSMQQYFGXJFCTL-AUSIDOKSSA-N 1 1 392.547 4.360 20 0 GIADMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1nc(C)c(-c3ccc(Cl)cc3)o1)CC2 ZINC000121430152 823182903 /nfs/dbraw/zinc/18/29/03/823182903.db2.gz UZRXSAXJDHSZLE-ZWKOTPCHSA-N 1 1 390.911 4.055 20 0 GIADMO CN1CCC([N@H+](Cc2ccco2)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000571447545 823183785 /nfs/dbraw/zinc/18/37/85/823183785.db2.gz BJNCNTIQWDFOJN-UHFFFAOYSA-N 1 1 382.426 4.317 20 0 GIADMO CN1CCC([N@@H+](Cc2ccco2)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000571447545 823183788 /nfs/dbraw/zinc/18/37/88/823183788.db2.gz BJNCNTIQWDFOJN-UHFFFAOYSA-N 1 1 382.426 4.317 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000056626740 823184550 /nfs/dbraw/zinc/18/45/50/823184550.db2.gz WJRYKNPRAJJFRW-ZIAGYGMSSA-N 1 1 386.462 4.013 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3c(F)cccc3Cl)c2)C[C@@H](C)O1 ZINC000121440647 823185022 /nfs/dbraw/zinc/18/50/22/823185022.db2.gz GHBCORADKCBWKJ-ZIAGYGMSSA-N 1 1 376.859 4.341 20 0 GIADMO COc1ccc(CCCCC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000571457260 823185825 /nfs/dbraw/zinc/18/58/25/823185825.db2.gz VFDCUNNVETXOHN-UHFFFAOYSA-N 1 1 381.520 4.028 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000121447647 823186180 /nfs/dbraw/zinc/18/61/80/823186180.db2.gz JPCDLECMMZATJL-VYDXJSESSA-N 1 1 386.467 4.048 20 0 GIADMO C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000459417855 823188375 /nfs/dbraw/zinc/18/83/75/823188375.db2.gz VZABKAOTIBOPLW-ROUUACIJSA-N 1 1 399.510 4.314 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc(F)c(F)c(F)c3F)c2)C[C@@H](C)O1 ZINC000121464084 823189346 /nfs/dbraw/zinc/18/93/46/823189346.db2.gz MANDWJNIFKGAHY-VXGBXAGGSA-N 1 1 396.384 4.105 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)C[C@@H](C)O1 ZINC000121483849 823192591 /nfs/dbraw/zinc/19/25/91/823192591.db2.gz DDXZKXMJPHIOQC-CHWSQXEVSA-N 1 1 394.849 4.480 20 0 GIADMO Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CC2CCC(F)(F)CC2)cs1 ZINC000459448182 823194260 /nfs/dbraw/zinc/19/42/60/823194260.db2.gz RTGZQHOZIAOPFQ-RDJZCZTQSA-N 1 1 375.504 4.121 20 0 GIADMO CCOc1cc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc(Br)c1O ZINC000459457728 823196025 /nfs/dbraw/zinc/19/60/25/823196025.db2.gz YGOQLHHMYXXDPL-HNNXBMFYSA-N 1 1 399.373 4.011 20 0 GIADMO CC[N@H+](C)[C@@H](C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1 ZINC000176389785 823196619 /nfs/dbraw/zinc/19/66/19/823196619.db2.gz SMPKWXJZSUOHPJ-LJQANCHMSA-N 1 1 376.460 4.246 20 0 GIADMO CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1 ZINC000176389785 823196622 /nfs/dbraw/zinc/19/66/22/823196622.db2.gz SMPKWXJZSUOHPJ-LJQANCHMSA-N 1 1 376.460 4.246 20 0 GIADMO Cn1c2ccccc2nc1[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459466669 823198215 /nfs/dbraw/zinc/19/82/15/823198215.db2.gz OWTRSMIZIWMNGN-XMMPIXPASA-N 1 1 397.526 4.316 20 0 GIADMO CCN(C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1)CC(F)(F)F ZINC000176403936 823201201 /nfs/dbraw/zinc/20/12/01/823201201.db2.gz SPTGVBLZLKCWFA-IRXDYDNUSA-N 1 1 399.501 4.343 20 0 GIADMO CCN(C[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1)CC(F)(F)F ZINC000176404249 823201208 /nfs/dbraw/zinc/20/12/08/823201208.db2.gz DPQKMSIPTRMWGX-LSDHHAIUSA-N 1 1 382.430 4.004 20 0 GIADMO COCc1cc(CNc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)no1 ZINC000459481447 823201359 /nfs/dbraw/zinc/20/13/59/823201359.db2.gz KYNFEYVEILSQTI-NRFANRHFSA-N 1 1 387.524 4.213 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1)CC(F)(F)F ZINC000176408522 823201981 /nfs/dbraw/zinc/20/19/81/823201981.db2.gz FVZUWBQAOWOEDP-HNNXBMFYSA-N 1 1 398.391 4.334 20 0 GIADMO O=C(Nc1cccc(N2CCCCC2)c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056742573 823204967 /nfs/dbraw/zinc/20/49/67/823204967.db2.gz HEENAFFORYDBTP-UHFFFAOYSA-N 1 1 398.576 4.131 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCc2ccccc2OC(F)(F)F)c2ncc[nH]2)cc1 ZINC000188230199 823206849 /nfs/dbraw/zinc/20/68/49/823206849.db2.gz MIQQICLECIJROT-KRWDZBQOSA-N 1 1 379.357 4.369 20 0 GIADMO Cc1cc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(C(C)C)cc2)n(C)n1 ZINC000121559438 823205709 /nfs/dbraw/zinc/20/57/09/823205709.db2.gz SPVZEEBZYPIHEX-NRFANRHFSA-N 1 1 382.533 4.231 20 0 GIADMO CCCOc1ccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)c(C)c1 ZINC000056747488 823206004 /nfs/dbraw/zinc/20/60/04/823206004.db2.gz YRWYYCDMJZATFM-HXUWFJFHSA-N 1 1 385.508 4.217 20 0 GIADMO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cc(F)ccc3Br)c(C)n2n1 ZINC000121569176 823207824 /nfs/dbraw/zinc/20/78/24/823207824.db2.gz IOGATDIEOUSKJJ-LLVKDONJSA-N 1 1 377.261 4.099 20 0 GIADMO COc1cc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)ccc1OCc1cccs1 ZINC000571608254 823207862 /nfs/dbraw/zinc/20/78/62/823207862.db2.gz XNAWSMVFVQEHOK-GOSISDBHSA-N 1 1 383.517 4.288 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000056762152 823208533 /nfs/dbraw/zinc/20/85/33/823208533.db2.gz HEDWCCZUESIYMQ-QFIPXVFZSA-N 1 1 397.494 4.069 20 0 GIADMO CSc1ccc([C@H](C)NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000056761498 823208570 /nfs/dbraw/zinc/20/85/70/823208570.db2.gz CZAWJYRHCNFSEO-KRWDZBQOSA-N 1 1 399.560 4.166 20 0 GIADMO COc1ccc2c(c1)C[N@H+]([C@@H]1CCCN(C(C)C)C1=O)[C@H](c1ccccc1)C2 ZINC000571632487 823212246 /nfs/dbraw/zinc/21/22/46/823212246.db2.gz ZNFWCCAZSISOHM-PKTZIBPZSA-N 1 1 378.516 4.194 20 0 GIADMO COc1ccc2c(c1)C[N@@H+]([C@@H]1CCCN(C(C)C)C1=O)[C@H](c1ccccc1)C2 ZINC000571632487 823212250 /nfs/dbraw/zinc/21/22/50/823212250.db2.gz ZNFWCCAZSISOHM-PKTZIBPZSA-N 1 1 378.516 4.194 20 0 GIADMO CC(C)Oc1cc(Br)ccc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461266178 823608812 /nfs/dbraw/zinc/60/88/12/823608812.db2.gz RQOVPWOHGOGOPM-MRXNPFEDSA-N 1 1 397.357 4.183 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c(C)c1 ZINC000121587035 823211346 /nfs/dbraw/zinc/21/13/46/823211346.db2.gz SGKAUERITUOCAL-OAQYLSRUSA-N 1 1 382.504 4.110 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c(C)c1 ZINC000121587035 823211348 /nfs/dbraw/zinc/21/13/48/823211348.db2.gz SGKAUERITUOCAL-OAQYLSRUSA-N 1 1 382.504 4.110 20 0 GIADMO Cc1nccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000121586126 823211384 /nfs/dbraw/zinc/21/13/84/823211384.db2.gz DJOUWIYUDGTUQR-OALUTQOASA-N 1 1 397.567 4.053 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)c3ccccc3)n2C2CC2)C1 ZINC000571648823 823214424 /nfs/dbraw/zinc/21/44/24/823214424.db2.gz JGHTZYAMFVHPJA-SFHVURJKSA-N 1 1 381.568 4.107 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000056795024 823215209 /nfs/dbraw/zinc/21/52/09/823215209.db2.gz GGBNRTTUXVGKBW-OAHLLOKOSA-N 1 1 396.373 4.272 20 0 GIADMO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+](C)CCc1ccccn1)c1ccccc1 ZINC000121625357 823218354 /nfs/dbraw/zinc/21/83/54/823218354.db2.gz CUEUOMSUVNGRIC-ILBGXUMGSA-N 1 1 390.527 4.031 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc(Cl)c1O ZINC000459555783 823219456 /nfs/dbraw/zinc/21/94/56/823219456.db2.gz IPOCXVXSJRCOEW-JOCHJYFZSA-N 1 1 389.923 4.262 20 0 GIADMO Cc1nccn1CCC[N@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459555523 823219464 /nfs/dbraw/zinc/21/94/64/823219464.db2.gz GEYFMAWAUOIAFV-UHFFFAOYSA-N 1 1 378.524 4.087 20 0 GIADMO Cc1nc2c(F)cccc2cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000571690401 823219630 /nfs/dbraw/zinc/21/96/30/823219630.db2.gz YLHACOJKSYLGNA-UHFFFAOYSA-N 1 1 395.453 4.170 20 0 GIADMO Cc1nc2c(F)cccc2cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000571690401 823219635 /nfs/dbraw/zinc/21/96/35/823219635.db2.gz YLHACOJKSYLGNA-UHFFFAOYSA-N 1 1 395.453 4.170 20 0 GIADMO CN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000571699263 823221136 /nfs/dbraw/zinc/22/11/36/823221136.db2.gz PRAXONOCOPECGL-NRFANRHFSA-N 1 1 383.511 4.269 20 0 GIADMO Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000121645352 823221655 /nfs/dbraw/zinc/22/16/55/823221655.db2.gz WLNIURLIPOHLFQ-IBGZPJMESA-N 1 1 377.410 4.092 20 0 GIADMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc(C)c1Br ZINC000571705547 823222012 /nfs/dbraw/zinc/22/20/12/823222012.db2.gz UTTJDPOEXZRKQB-CQSZACIVSA-N 1 1 391.313 4.213 20 0 GIADMO COc1cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)ccc1OC(F)F ZINC000121629747 823219057 /nfs/dbraw/zinc/21/90/57/823219057.db2.gz MJFCUASVDDIWSP-UHFFFAOYSA-N 1 1 390.474 4.393 20 0 GIADMO COc1cc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC(F)F ZINC000121629747 823219063 /nfs/dbraw/zinc/21/90/63/823219063.db2.gz MJFCUASVDDIWSP-UHFFFAOYSA-N 1 1 390.474 4.393 20 0 GIADMO O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459576870 823224334 /nfs/dbraw/zinc/22/43/34/823224334.db2.gz LIIZQBZFLVDICH-FOFXDUOHSA-N 1 1 393.527 4.141 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCNC(=O)[C@@H]3CC=CCC3)cc2)C1 ZINC000409461175 823224844 /nfs/dbraw/zinc/22/48/44/823224844.db2.gz NPODEJPOJWLLGC-TZIWHRDSSA-N 1 1 397.563 4.110 20 0 GIADMO CC(C)n1cnc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000409463489 823225530 /nfs/dbraw/zinc/22/55/30/823225530.db2.gz KTVATFIKTNBTMN-FQEVSTJZSA-N 1 1 394.544 4.055 20 0 GIADMO CC(C)n1cnc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000409463489 823225535 /nfs/dbraw/zinc/22/55/35/823225535.db2.gz KTVATFIKTNBTMN-FQEVSTJZSA-N 1 1 394.544 4.055 20 0 GIADMO CC(C)Oc1cccc([C@H](C)NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000056867072 823225585 /nfs/dbraw/zinc/22/55/85/823225585.db2.gz BGCPDMVZHCVYDO-SFHVURJKSA-N 1 1 375.557 4.297 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+](C)C1CCN(OC)CC1 ZINC000459586082 823225933 /nfs/dbraw/zinc/22/59/33/823225933.db2.gz XFSBANNATHOQQV-UHFFFAOYSA-N 1 1 395.975 4.141 20 0 GIADMO CCCn1cc(CN2CCC[N@@H+](Cc3cccc(-c4ccncc4)c3)CC2)cn1 ZINC000121674071 823227725 /nfs/dbraw/zinc/22/77/25/823227725.db2.gz GLVYWGOSZPSVRY-UHFFFAOYSA-N 1 1 389.547 4.063 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCCCc1ccc(Br)cc1)c1ccco1 ZINC000409475276 823229092 /nfs/dbraw/zinc/22/90/92/823229092.db2.gz ICDZSEWTFYFVRV-QGZVFWFLSA-N 1 1 393.325 4.174 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409479364 823230620 /nfs/dbraw/zinc/23/06/20/823230620.db2.gz WJWMTZORHBCLSB-LSDHHAIUSA-N 1 1 395.828 4.207 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409479364 823230628 /nfs/dbraw/zinc/23/06/28/823230628.db2.gz WJWMTZORHBCLSB-LSDHHAIUSA-N 1 1 395.828 4.207 20 0 GIADMO CC1(CO)C[NH+](Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)C1 ZINC000459619980 823230865 /nfs/dbraw/zinc/23/08/65/823230865.db2.gz JYVCYZCFKIJZSN-UHFFFAOYSA-N 1 1 381.907 4.066 20 0 GIADMO CCN(C(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2)[C@@H](C)c1ccc(F)cc1 ZINC000459628575 823232405 /nfs/dbraw/zinc/23/24/05/823232405.db2.gz DBGXFYADIABHED-KBPBESRZSA-N 1 1 375.513 4.031 20 0 GIADMO C[C@@H]1CCCN1C(=O)CC[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000571797654 823235543 /nfs/dbraw/zinc/23/55/43/823235543.db2.gz QFCFTNNSFLITLJ-CQSZACIVSA-N 1 1 389.952 4.223 20 0 GIADMO COc1cc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459644247 823236632 /nfs/dbraw/zinc/23/66/32/823236632.db2.gz DIBNSPOHDDKVDZ-SFHVURJKSA-N 1 1 387.442 4.193 20 0 GIADMO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(Br)cc1C(F)(F)F ZINC000188414249 823236849 /nfs/dbraw/zinc/23/68/49/823236849.db2.gz MHTSXMRFRHGSRC-QMMMGPOBSA-N 1 1 391.187 4.011 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000121747767 823242382 /nfs/dbraw/zinc/24/23/82/823242382.db2.gz NOAIHYAACARRLK-HNNXBMFYSA-N 1 1 390.409 4.136 20 0 GIADMO C[C@H]1CCc2nc(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)sc2C1 ZINC000459652878 823239828 /nfs/dbraw/zinc/23/98/28/823239828.db2.gz RALFJKBTLOHVLO-BBRMVZONSA-N 1 1 388.499 4.449 20 0 GIADMO C[C@H]1CCc2nc(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)sc2C1 ZINC000459652878 823239830 /nfs/dbraw/zinc/23/98/30/823239830.db2.gz RALFJKBTLOHVLO-BBRMVZONSA-N 1 1 388.499 4.449 20 0 GIADMO Fc1ccc([C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ncc[nH]2)cc1 ZINC000188435437 823240502 /nfs/dbraw/zinc/24/05/02/823240502.db2.gz IVGYKSJONGNDGR-KXBFYZLASA-N 1 1 388.849 4.299 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c3cc(F)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000176582820 823241759 /nfs/dbraw/zinc/24/17/59/823241759.db2.gz FVFSTJRZVIAVCE-JXFKEZNVSA-N 1 1 379.479 4.019 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)CC12CCOCC2 ZINC000459656945 823241797 /nfs/dbraw/zinc/24/17/97/823241797.db2.gz WLVVYGUYRRTKHG-KRWDZBQOSA-N 1 1 385.426 4.029 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2CCc3cccc(F)c3[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000571842125 823243188 /nfs/dbraw/zinc/24/31/88/823243188.db2.gz PQGNEHCHOCQFAH-IAGOWNOFSA-N 1 1 397.494 4.370 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(I)c1)c1nc2c(s1)CCC2 ZINC000459659818 823243347 /nfs/dbraw/zinc/24/33/47/823243347.db2.gz 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CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459665609 823245217 /nfs/dbraw/zinc/24/52/17/823245217.db2.gz QRQUNMVGHSXKNC-UONOGXRCSA-N 1 1 375.435 4.154 20 0 GIADMO CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459665609 823245221 /nfs/dbraw/zinc/24/52/21/823245221.db2.gz QRQUNMVGHSXKNC-UONOGXRCSA-N 1 1 375.435 4.154 20 0 GIADMO FC(F)(F)c1cccnc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459665599 823245383 /nfs/dbraw/zinc/24/53/83/823245383.db2.gz QRJSMKHSZVHORS-AWEZNQCLSA-N 1 1 382.348 4.281 20 0 GIADMO FC(F)(F)c1cccnc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459665599 823245385 /nfs/dbraw/zinc/24/53/85/823245385.db2.gz QRJSMKHSZVHORS-AWEZNQCLSA-N 1 1 382.348 4.281 20 0 GIADMO CC[C@@H]([NH2+]Cc1c(Cl)cccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000188468866 823245538 /nfs/dbraw/zinc/24/55/38/823245538.db2.gz IYFZPDNQOYBEFM-GOSISDBHSA-N 1 1 390.911 4.057 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cncc(F)c1 ZINC000571857267 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IPGCXABMTWNWGB-UHFFFAOYSA-N 1 1 388.895 4.243 20 0 GIADMO C=CCc1cc(OCC)cc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)c1O ZINC000057085105 823248160 /nfs/dbraw/zinc/24/81/60/823248160.db2.gz IPGCXABMTWNWGB-UHFFFAOYSA-N 1 1 388.895 4.243 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)[C@@H]1O ZINC000459680323 823249235 /nfs/dbraw/zinc/24/92/35/823249235.db2.gz CWCQWASWADGHLG-HIFRSBDPSA-N 1 1 375.387 4.269 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnc(-c4ncccn4)s3)cc2)C1 ZINC000121782218 823249820 /nfs/dbraw/zinc/24/98/20/823249820.db2.gz CKDUNZPUHIAPRF-HNNXBMFYSA-N 1 1 393.516 4.084 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnc(-c4ncccn4)s3)cc2)C1 ZINC000121782054 823249919 /nfs/dbraw/zinc/24/99/19/823249919.db2.gz CKDUNZPUHIAPRF-OAHLLOKOSA-N 1 1 393.516 4.084 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cn1 ZINC000057127881 823251980 /nfs/dbraw/zinc/25/19/80/823251980.db2.gz DTMYRXWWLBQTTE-OAHLLOKOSA-N 1 1 389.459 4.225 20 0 GIADMO CCOC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000459700071 823253071 /nfs/dbraw/zinc/25/30/71/823253071.db2.gz DJQNTCAESICCCG-QGZVFWFLSA-N 1 1 376.522 4.218 20 0 GIADMO CCOC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000459700071 823253078 /nfs/dbraw/zinc/25/30/78/823253078.db2.gz DJQNTCAESICCCG-QGZVFWFLSA-N 1 1 376.522 4.218 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)Nc1cc(Cl)ccc1F ZINC000121796986 823253344 /nfs/dbraw/zinc/25/33/44/823253344.db2.gz YIPFKJBUBJZYAZ-MAUKXSAKSA-N 1 1 394.874 4.379 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1)Nc1cc(Cl)ccc1F ZINC000121796986 823253346 /nfs/dbraw/zinc/25/33/46/823253346.db2.gz YIPFKJBUBJZYAZ-MAUKXSAKSA-N 1 1 394.874 4.379 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]1O ZINC000459716544 823255660 /nfs/dbraw/zinc/25/56/60/823255660.db2.gz WIPOQHJGLLTSHH-WWCUCUDHSA-N 1 1 398.572 4.106 20 0 GIADMO O=C(Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1)c1ccco1 ZINC000057153271 823255724 /nfs/dbraw/zinc/25/57/24/823255724.db2.gz SEFGQBHFATTYKG-HXUWFJFHSA-N 1 1 389.455 4.135 20 0 GIADMO COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057153379 823255825 /nfs/dbraw/zinc/25/58/25/823255825.db2.gz XINVQYRHXDSZOK-GGAORHGYSA-N 1 1 378.516 4.271 20 0 GIADMO CC(=O)Nc1cccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000188523482 823256218 /nfs/dbraw/zinc/25/62/18/823256218.db2.gz GSAGSHJDGJPVMP-KRWDZBQOSA-N 1 1 385.552 4.070 20 0 GIADMO Brc1ccc(-c2nc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@H]43)co2)cc1 ZINC000459718760 823256229 /nfs/dbraw/zinc/25/62/29/823256229.db2.gz NDPZUGCJVOJARA-DLBZAZTESA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccc(-c2nc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@H]43)co2)cc1 ZINC000459718760 823256231 /nfs/dbraw/zinc/25/62/31/823256231.db2.gz NDPZUGCJVOJARA-DLBZAZTESA-N 1 1 389.293 4.105 20 0 GIADMO CC(C)NC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057154734 823256438 /nfs/dbraw/zinc/25/64/38/823256438.db2.gz CQKVEFUWIGQSAS-LJQANCHMSA-N 1 1 394.519 4.067 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000571943483 823258202 /nfs/dbraw/zinc/25/82/02/823258202.db2.gz XLVOUAHUKIQUOX-NRFANRHFSA-N 1 1 389.503 4.010 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000571943483 823258203 /nfs/dbraw/zinc/25/82/03/823258203.db2.gz XLVOUAHUKIQUOX-NRFANRHFSA-N 1 1 389.503 4.010 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000409596533 823257353 /nfs/dbraw/zinc/25/73/53/823257353.db2.gz SZDMQLGHLBABQY-OAHLLOKOSA-N 1 1 387.911 4.191 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000409596533 823257355 /nfs/dbraw/zinc/25/73/55/823257355.db2.gz SZDMQLGHLBABQY-OAHLLOKOSA-N 1 1 387.911 4.191 20 0 GIADMO O=C(c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1)N1CCCC1 ZINC000121851705 823262998 /nfs/dbraw/zinc/26/29/98/823262998.db2.gz KJFPSWUHKDKAHO-VXKWHMMOSA-N 1 1 396.531 4.384 20 0 GIADMO CCOCCOCc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057175227 823259190 /nfs/dbraw/zinc/25/91/90/823259190.db2.gz SNUQTMDGBWLZOV-JOCHJYFZSA-N 1 1 396.531 4.090 20 0 GIADMO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057175643 823259663 /nfs/dbraw/zinc/25/96/63/823259663.db2.gz SFZHQXXIEDOOLU-FQEVSTJZSA-N 1 1 393.531 4.066 20 0 GIADMO COc1cccc2c(NCc3ccc(CN4CCCC4=O)cc3)cc(C)[nH+]c12 ZINC000121836374 823260235 /nfs/dbraw/zinc/26/02/35/823260235.db2.gz CWNQTXKOMCGDRH-UHFFFAOYSA-N 1 1 375.472 4.286 20 0 GIADMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1csc(Br)c1)Cc1ccccc1 ZINC000571961355 823260912 /nfs/dbraw/zinc/26/09/12/823260912.db2.gz TWJRZDHSCZZOSO-RDTXWAMCSA-N 1 1 396.350 4.053 20 0 GIADMO C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)[C@@H]1CCCOC1 ZINC000571961507 823261044 /nfs/dbraw/zinc/26/10/44/823261044.db2.gz ZCLBIRPBLYLDDT-GOSISDBHSA-N 1 1 391.309 4.034 20 0 GIADMO Fc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NCc2ncc(C3CC3)o2)c1 ZINC000459770066 823262448 /nfs/dbraw/zinc/26/24/48/823262448.db2.gz RQXCOVRABWBFGU-FCHUYYIVSA-N 1 1 391.490 4.449 20 0 GIADMO Fc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2[NH2+]Cc2ncc(C3CC3)o2)c1 ZINC000459770066 823262460 /nfs/dbraw/zinc/26/24/60/823262460.db2.gz RQXCOVRABWBFGU-FCHUYYIVSA-N 1 1 391.490 4.449 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459774952 823263488 /nfs/dbraw/zinc/26/34/88/823263488.db2.gz WSPHRBYWIYOPMR-MRXNPFEDSA-N 1 1 394.494 4.130 20 0 GIADMO Cc1ccccc1[C@]1(F)CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000409623186 823264328 /nfs/dbraw/zinc/26/43/28/823264328.db2.gz GZCNGRBJGKDOTO-QPPBQGQZSA-N 1 1 395.522 4.097 20 0 GIADMO COc1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1-c1ccccn1 ZINC000121858516 823264496 /nfs/dbraw/zinc/26/44/96/823264496.db2.gz RTJUVNNLHCXBSH-KDURUIRLSA-N 1 1 395.547 4.245 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C[C@H]1C1CCCC1 ZINC000459788865 823265221 /nfs/dbraw/zinc/26/52/21/823265221.db2.gz FSYSAMRSKGNLOW-RBUKOAKNSA-N 1 1 389.337 4.370 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCC(F)(F)C2)[C@@H]1c1cccs1 ZINC000409625686 823265264 /nfs/dbraw/zinc/26/52/64/823265264.db2.gz ZJOHNZASOBQFKW-ZMSDIMECSA-N 1 1 385.524 4.256 20 0 GIADMO C[C@@H](C[N@@H+](C)[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)C(=O)OC(C)(C)C ZINC000459801762 823266218 /nfs/dbraw/zinc/26/62/18/823266218.db2.gz HIXCUNCHWCVQEY-STQMWFEESA-N 1 1 379.888 4.361 20 0 GIADMO CCCN(C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)C(C)C ZINC000572011527 823269420 /nfs/dbraw/zinc/26/94/20/823269420.db2.gz DFJNSFHWIAHPGM-UHFFFAOYSA-N 1 1 396.373 4.244 20 0 GIADMO COc1cc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)ccc1OC1CCCC1 ZINC000057223485 823266900 /nfs/dbraw/zinc/26/69/00/823266900.db2.gz ZVZPCHJUZWBFHV-UHFFFAOYSA-N 1 1 392.459 4.158 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1F ZINC000409631585 823267418 /nfs/dbraw/zinc/26/74/18/823267418.db2.gz PDLBLCHZWSBPCI-GFCCVEGCSA-N 1 1 399.495 4.223 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[N@H+]1C ZINC000572018696 823269626 /nfs/dbraw/zinc/26/96/26/823269626.db2.gz MRLIJNFTGCNPAV-JSGCOSHPSA-N 1 1 378.929 4.410 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cnc(C(C)(C)C)nc3)C2)cc1 ZINC000572022929 823270419 /nfs/dbraw/zinc/27/04/19/823270419.db2.gz BRAWOXNJTMSYGL-SFHVURJKSA-N 1 1 395.551 4.116 20 0 GIADMO CC(C)[N@@H+](Cc1ncc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000121891590 823271224 /nfs/dbraw/zinc/27/12/24/823271224.db2.gz YVFWXENSKZIYJJ-UHFFFAOYSA-N 1 1 379.298 4.494 20 0 GIADMO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000409643928 823271591 /nfs/dbraw/zinc/27/15/91/823271591.db2.gz HDFXORYMWODHAZ-HOTGVXAUSA-N 1 1 377.916 4.410 20 0 GIADMO C[C@H](CCO)[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000121898746 823272487 /nfs/dbraw/zinc/27/24/87/823272487.db2.gz NOUYIJHJZIYGTO-MRXNPFEDSA-N 1 1 397.544 4.450 20 0 GIADMO C[C@H](CCO)[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000121898746 823272493 /nfs/dbraw/zinc/27/24/93/823272493.db2.gz NOUYIJHJZIYGTO-MRXNPFEDSA-N 1 1 397.544 4.450 20 0 GIADMO FC(F)c1nc2ccccc2c(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000409654181 823274854 /nfs/dbraw/zinc/27/48/54/823274854.db2.gz XSWZGYVXTYODGT-CQSZACIVSA-N 1 1 383.446 4.484 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)C2(CCF)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000572052794 823274874 /nfs/dbraw/zinc/27/48/74/823274874.db2.gz KWSYUROCJWYTEY-WBVHZDCISA-N 1 1 386.433 4.344 20 0 GIADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1Br ZINC000005446796 817584132 /nfs/dbraw/zinc/58/41/32/817584132.db2.gz NCBQMEOAZQFUQR-LPHOPBHVSA-N 1 1 385.305 4.206 20 0 GIADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1Br ZINC000005446797 817584245 /nfs/dbraw/zinc/58/42/45/817584245.db2.gz NCBQMEOAZQFUQR-APWZRJJASA-N 1 1 385.305 4.206 20 0 GIADMO Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ncc1Br ZINC000409649658 823273735 /nfs/dbraw/zinc/27/37/35/823273735.db2.gz DKLMXFSVRQYHBI-AWEZNQCLSA-N 1 1 375.314 4.069 20 0 GIADMO O=C(C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1)NCc1ccc(F)cc1 ZINC000572073683 823278133 /nfs/dbraw/zinc/27/81/33/823278133.db2.gz MTAYOCSEUFXETE-OAQYLSRUSA-N 1 1 397.881 4.064 20 0 GIADMO Cc1ccc(NC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000409671981 823279747 /nfs/dbraw/zinc/27/97/47/823279747.db2.gz NSPCNYGHSAMGLT-UHFFFAOYSA-N 1 1 394.563 4.023 20 0 GIADMO COc1cccc2c1ncc(C)c2N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000409656105 823275508 /nfs/dbraw/zinc/27/55/08/823275508.db2.gz LRJSXZQSDBKIBI-QGZVFWFLSA-N 1 1 376.504 4.469 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)N(C[C@@H]1CCOC1)C1CC1)C1CCCCC1 ZINC000057286246 823275844 /nfs/dbraw/zinc/27/58/44/823275844.db2.gz NBCDVECJNOSPFA-IBGZPJMESA-N 1 1 399.579 4.162 20 0 GIADMO CCN(C[C@H]1CCOC1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057286151 823275940 /nfs/dbraw/zinc/27/59/40/823275940.db2.gz CRJPKCURDAZXKQ-LJQANCHMSA-N 1 1 387.568 4.019 20 0 GIADMO Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176723764 823277771 /nfs/dbraw/zinc/27/77/71/823277771.db2.gz JQYVJBCFQXFEAV-UTKZUKDTSA-N 1 1 389.499 4.433 20 0 GIADMO COc1ccc(C[C@@H](C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000121923827 823277913 /nfs/dbraw/zinc/27/79/13/823277913.db2.gz ONOVZOXJURJALE-SJORKVTESA-N 1 1 377.488 4.245 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000121939637 823281055 /nfs/dbraw/zinc/28/10/55/823281055.db2.gz CXRDRJSCAPUFBQ-UHFFFAOYSA-N 1 1 391.540 4.342 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000121939473 823281167 /nfs/dbraw/zinc/28/11/67/823281167.db2.gz RUEIKFJADJRLTH-HSZRJFAPSA-N 1 1 390.531 4.250 20 0 GIADMO Cc1noc(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1C ZINC000460035928 823281478 /nfs/dbraw/zinc/28/14/78/823281478.db2.gz YODSNYPSMIDMJF-UHFFFAOYSA-N 1 1 392.381 4.376 20 0 GIADMO CC(C)(C)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000409680287 823281705 /nfs/dbraw/zinc/28/17/05/823281705.db2.gz LVQDDMCDUIERME-UHFFFAOYSA-N 1 1 381.520 4.138 20 0 GIADMO COc1cc(OC)cc(OCCC[N@H+](C)[C@@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000121963927 823285496 /nfs/dbraw/zinc/28/54/96/823285496.db2.gz RBTYCYGPJCMKRC-INIZCTEOSA-N 1 1 397.475 4.216 20 0 GIADMO COc1cc(OC)cc(OCCC[N@@H+](C)[C@@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000121963927 823285500 /nfs/dbraw/zinc/28/55/00/823285500.db2.gz RBTYCYGPJCMKRC-INIZCTEOSA-N 1 1 397.475 4.216 20 0 GIADMO COc1cc(OC)cc(OCCC[N@H+](C)[C@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000121964083 823285624 /nfs/dbraw/zinc/28/56/24/823285624.db2.gz RBTYCYGPJCMKRC-MRXNPFEDSA-N 1 1 397.475 4.216 20 0 GIADMO COc1cc(OC)cc(OCCC[N@@H+](C)[C@H](C)c2nnc(-c3ccccc3)o2)c1 ZINC000121964083 823285628 /nfs/dbraw/zinc/28/56/28/823285628.db2.gz RBTYCYGPJCMKRC-MRXNPFEDSA-N 1 1 397.475 4.216 20 0 GIADMO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(OC(F)F)cc1 ZINC000006910925 817724108 /nfs/dbraw/zinc/72/41/08/817724108.db2.gz VOBMXLDVBIDNEA-UHFFFAOYSA-N 1 1 388.336 4.377 20 0 GIADMO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(OC(F)F)cc1 ZINC000006910925 817724115 /nfs/dbraw/zinc/72/41/15/817724115.db2.gz VOBMXLDVBIDNEA-UHFFFAOYSA-N 1 1 388.336 4.377 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000460104468 823285173 /nfs/dbraw/zinc/28/51/73/823285173.db2.gz JTUQULOPSBZRRO-KRWDZBQOSA-N 1 1 381.307 4.339 20 0 GIADMO CCN(C(=O)Nc1cc(F)c(F)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460131864 823291241 /nfs/dbraw/zinc/29/12/41/823291241.db2.gz DLCRKZUBNXYZTK-OAHLLOKOSA-N 1 1 377.410 4.232 20 0 GIADMO CC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccs1 ZINC000460111661 823286594 /nfs/dbraw/zinc/28/65/94/823286594.db2.gz SAUFDPKJIJZDHD-ZCNNSNEGSA-N 1 1 383.561 4.363 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cc1)C(C)C ZINC000121976628 823287575 /nfs/dbraw/zinc/28/75/75/823287575.db2.gz NRQKVTRRNYSXHB-UHFFFAOYSA-N 1 1 383.467 4.193 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000057388384 823287917 /nfs/dbraw/zinc/28/79/17/823287917.db2.gz ZXQHYEJLFBJSRB-GFCCVEGCSA-N 1 1 383.970 4.058 20 0 GIADMO C[C@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000409711193 823288302 /nfs/dbraw/zinc/28/83/02/823288302.db2.gz ODTYMMXULIAOOP-KSSFIOAISA-N 1 1 383.458 4.158 20 0 GIADMO CC(C)[C@H](C)[N@H+]1Cc2cccc(N[C@H](C)C(=O)N3CCc4ccccc43)c2C1 ZINC000572141801 823289339 /nfs/dbraw/zinc/28/93/39/823289339.db2.gz BJEJKSYANBBWIS-MSOLQXFVSA-N 1 1 377.532 4.436 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@@H](c3ccco3)C2)c1 ZINC000176774723 823290078 /nfs/dbraw/zinc/29/00/78/823290078.db2.gz ASNVPNDUHJEWOV-HSZRJFAPSA-N 1 1 390.483 4.125 20 0 GIADMO COc1ccc([C@H](C)C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1 ZINC000572165324 823292786 /nfs/dbraw/zinc/29/27/86/823292786.db2.gz AZAOXNFFAJCSEF-ZBFHGGJFSA-N 1 1 381.442 4.431 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)cc1OC ZINC000007453887 817845282 /nfs/dbraw/zinc/84/52/82/817845282.db2.gz RQIMUWHOHJJKPJ-UHFFFAOYSA-N 1 1 381.472 4.367 20 0 GIADMO CCc1ccc2c(C[N@@H+](C)Cc3cc(OC)c(OC)cc3C)cc(=O)oc2c1 ZINC000007453181 817845512 /nfs/dbraw/zinc/84/55/12/817845512.db2.gz HVNSPZJQQZDXEB-UHFFFAOYSA-N 1 1 381.472 4.313 20 0 GIADMO Fc1ccc(-c2noc(C[NH+]3CCC(N4CCc5cc(F)ccc54)CC3)n2)cc1 ZINC000572168997 823293775 /nfs/dbraw/zinc/29/37/75/823293775.db2.gz UNZQFLBXKHFHFZ-UHFFFAOYSA-N 1 1 396.441 4.042 20 0 GIADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000460138930 823293910 /nfs/dbraw/zinc/29/39/10/823293910.db2.gz MMHMIENRKFAQPW-SGTLLEGYSA-N 1 1 382.335 4.228 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc2ccccc21 ZINC000007669919 817891257 /nfs/dbraw/zinc/89/12/57/817891257.db2.gz WHKPYONLRBBPTN-UHFFFAOYSA-N 1 1 375.472 4.259 20 0 GIADMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000007686855 817895007 /nfs/dbraw/zinc/89/50/07/817895007.db2.gz MVLPHYKDYQBYMW-UHFFFAOYSA-N 1 1 380.460 4.471 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000007686855 817895016 /nfs/dbraw/zinc/89/50/16/817895016.db2.gz MVLPHYKDYQBYMW-UHFFFAOYSA-N 1 1 380.460 4.471 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)Cc3sccc3C)ccc2c1 ZINC000007691245 817896580 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20 0 GIADMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000016377889 818431506 /nfs/dbraw/zinc/43/15/06/818431506.db2.gz GKXXERSZLQWGLS-CQSZACIVSA-N 1 1 378.419 4.064 20 0 GIADMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C)ccc1OC(F)F ZINC000016377889 818431509 /nfs/dbraw/zinc/43/15/09/818431509.db2.gz GKXXERSZLQWGLS-CQSZACIVSA-N 1 1 378.419 4.064 20 0 GIADMO C[N@@H+]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000122312559 823336438 /nfs/dbraw/zinc/33/64/38/823336438.db2.gz PYPFPEFKKHRXKG-UHFFFAOYSA-N 1 1 391.298 4.002 20 0 GIADMO C[N@H+]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000122312559 823336445 /nfs/dbraw/zinc/33/64/45/823336445.db2.gz PYPFPEFKKHRXKG-UHFFFAOYSA-N 1 1 391.298 4.002 20 0 GIADMO CC[N@H+](CCOc1ccccc1F)CC(=O)Nc1c(Cl)cccc1Cl ZINC000016443021 818443060 /nfs/dbraw/zinc/44/30/60/818443060.db2.gz TWOCIBYYLUUIFS-UHFFFAOYSA-N 1 1 385.266 4.472 20 0 GIADMO CC[N@@H+](CCOc1ccccc1F)CC(=O)Nc1c(Cl)cccc1Cl ZINC000016443021 818443065 /nfs/dbraw/zinc/44/30/65/818443065.db2.gz TWOCIBYYLUUIFS-UHFFFAOYSA-N 1 1 385.266 4.472 20 0 GIADMO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([C@H]2C[C@H]2C)o1)[N@H+]1CCc2ccccc2C1 ZINC000409890361 823336813 /nfs/dbraw/zinc/33/68/13/823336813.db2.gz HIETUYFVDGCPBN-XJGBBZTQSA-N 1 1 378.516 4.070 20 0 GIADMO CCOc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000016561422 818454815 /nfs/dbraw/zinc/45/48/15/818454815.db2.gz IFVUCXLCZOSRFL-OAHLLOKOSA-N 1 1 390.911 4.057 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1OC ZINC000016561422 818454821 /nfs/dbraw/zinc/45/48/21/818454821.db2.gz IFVUCXLCZOSRFL-OAHLLOKOSA-N 1 1 390.911 4.057 20 0 GIADMO Cc1ccccc1C[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000016585911 818456072 /nfs/dbraw/zinc/45/60/72/818456072.db2.gz QQXIXRPYSDCHQS-IBGZPJMESA-N 1 1 393.512 4.459 20 0 GIADMO Cc1ccccc1C[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000016585911 818456074 /nfs/dbraw/zinc/45/60/74/818456074.db2.gz QQXIXRPYSDCHQS-IBGZPJMESA-N 1 1 393.512 4.459 20 0 GIADMO Cc1nc(-c2cccnc2)sc1[C@H](C)NCc1ccccc1OCC[NH+](C)C ZINC000122356426 823342905 /nfs/dbraw/zinc/34/29/05/823342905.db2.gz CZWPKYUKNZLFPI-INIZCTEOSA-N 1 1 396.560 4.305 20 0 GIADMO COc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000016634466 818461231 /nfs/dbraw/zinc/46/12/31/818461231.db2.gz ZSOGNAPFVBLXSH-LLVKDONJSA-N 1 1 383.275 4.300 20 0 GIADMO Cc1cc2cc(NC(=O)N3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc2[nH]1 ZINC000176978094 823340737 /nfs/dbraw/zinc/34/07/37/823340737.db2.gz NRNBCMQKDJNLJM-HDICACEKSA-N 1 1 398.551 4.220 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176978386 823340957 /nfs/dbraw/zinc/34/09/57/823340957.db2.gz MOWJYVZZTHTANV-NRFANRHFSA-N 1 1 391.519 4.390 20 0 GIADMO COCC[N@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)Cc1ccccc1 ZINC000057849928 823341288 /nfs/dbraw/zinc/34/12/88/823341288.db2.gz UGFIDKSYWJRMRN-SFHVURJKSA-N 1 1 384.545 4.053 20 0 GIADMO COCC[N@@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)Cc1ccccc1 ZINC000057849928 823341294 /nfs/dbraw/zinc/34/12/94/823341294.db2.gz UGFIDKSYWJRMRN-SFHVURJKSA-N 1 1 384.545 4.053 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000057851865 823341563 /nfs/dbraw/zinc/34/15/63/823341563.db2.gz ATQDKFKXAINLKR-KBPBESRZSA-N 1 1 393.300 4.286 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000057851865 823341570 /nfs/dbraw/zinc/34/15/70/823341570.db2.gz ATQDKFKXAINLKR-KBPBESRZSA-N 1 1 393.300 4.286 20 0 GIADMO COc1cnccc1[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000189010333 823341811 /nfs/dbraw/zinc/34/18/11/823341811.db2.gz BTVRVKVSFQZAGZ-KRWDZBQOSA-N 1 1 378.520 4.483 20 0 GIADMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(s1)-c1ccccc1OC2 ZINC000017701779 818524622 /nfs/dbraw/zinc/52/46/22/818524622.db2.gz QPVTUONMRMNEHT-GOSISDBHSA-N 1 1 390.508 4.312 20 0 GIADMO FC(F)(F)Oc1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000018138215 818549854 /nfs/dbraw/zinc/54/98/54/818549854.db2.gz UHTLHOTWYPHMHH-UHFFFAOYSA-N 1 1 395.450 4.100 20 0 GIADMO C[N@@H+](CCCNC(=O)Cc1csc(-c2cccs2)n1)Cc1ccccc1 ZINC000018232725 818558893 /nfs/dbraw/zinc/55/88/93/818558893.db2.gz SFGDTRCWJNXJMO-UHFFFAOYSA-N 1 1 385.558 4.052 20 0 GIADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)nc1Cl ZINC000122379563 823346723 /nfs/dbraw/zinc/34/67/23/823346723.db2.gz DVLLDBRANBHMMP-ZBFHGGJFSA-N 1 1 376.287 4.145 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000572483951 823347542 /nfs/dbraw/zinc/34/75/42/823347542.db2.gz FINNHKSEBDLMFM-IIBYNOLFSA-N 1 1 389.503 4.429 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1)c1ccc(Br)cc1 ZINC000020814473 818631864 /nfs/dbraw/zinc/63/18/64/818631864.db2.gz FYZWFVUKKNNXIM-CABCVRRESA-N 1 1 375.310 4.319 20 0 GIADMO O=C1c2ccccc2C(=O)N1CCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000020946473 818642533 /nfs/dbraw/zinc/64/25/33/818642533.db2.gz MQUFHRAPBDHOID-UHFFFAOYSA-N 1 1 380.469 4.030 20 0 GIADMO O=C(Nc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1)C1CCC1 ZINC000122436981 823353818 /nfs/dbraw/zinc/35/38/18/823353818.db2.gz WLOBTGJRJKDXCZ-UHFFFAOYSA-N 1 1 391.559 4.222 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000177016222 823349941 /nfs/dbraw/zinc/34/99/41/823349941.db2.gz YNICJGSFOOYCRR-UYAOXDASSA-N 1 1 389.503 4.047 20 0 GIADMO FC(F)(F)c1csc([C@@H]2CCC[N@@H+](CCCO[C@H]3CCCCO3)C2)n1 ZINC000572499780 823350085 /nfs/dbraw/zinc/35/00/85/823350085.db2.gz DFKIFNRXYIWMKK-HIFRSBDPSA-N 1 1 378.460 4.275 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000122409411 823350531 /nfs/dbraw/zinc/35/05/31/823350531.db2.gz BFRGGIOVENCAMC-UHFFFAOYSA-N 1 1 376.932 4.145 20 0 GIADMO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000572504496 823350809 /nfs/dbraw/zinc/35/08/09/823350809.db2.gz TZTNIDKTAALQAX-AKFKNWHVSA-N 1 1 396.506 4.017 20 0 GIADMO CC[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1c(C)noc1C ZINC000122453139 823356738 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GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000460343332 823358950 /nfs/dbraw/zinc/35/89/50/823358950.db2.gz ZEWUFPCQORYGRW-UGKGYDQZSA-N 1 1 382.552 4.093 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000460343331 823359014 /nfs/dbraw/zinc/35/90/14/823359014.db2.gz ZEWUFPCQORYGRW-SIKLNZKXSA-N 1 1 382.552 4.093 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@@H+](Cc2c(F)cccc2F)C2CCCC2)c1 ZINC000177049306 823359310 /nfs/dbraw/zinc/35/93/10/823359310.db2.gz GWUHBANHVCRMNZ-UHFFFAOYSA-N 1 1 391.437 4.460 20 0 GIADMO O=C(c1ccccc1)N1CCC[N@@H+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000122472367 823359412 /nfs/dbraw/zinc/35/94/12/823359412.db2.gz NKVHFCYDQNTLKE-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1ccccc1)N1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000122472367 823359418 /nfs/dbraw/zinc/35/94/18/823359418.db2.gz NKVHFCYDQNTLKE-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)c2nnnn2C2CC2)CCC3)cc1 ZINC000189113478 823359351 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LCMRADSUBOEXOH-MRXNPFEDSA-N 1 1 391.496 4.452 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025444013 819981274 /nfs/dbraw/zinc/98/12/74/819981274.db2.gz DRNBSMYHJSPXQW-OAQYLSRUSA-N 1 1 397.494 4.083 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025444013 819981280 /nfs/dbraw/zinc/98/12/80/819981280.db2.gz DRNBSMYHJSPXQW-OAQYLSRUSA-N 1 1 397.494 4.083 20 0 GIADMO Cc1ccc(C(=O)CCC(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)s1 ZINC000025537023 819999429 /nfs/dbraw/zinc/99/94/29/819999429.db2.gz LRZXRLAAULOGLP-FQEVSTJZSA-N 1 1 398.572 4.219 20 0 GIADMO CC(C)n1c(-c2cccnc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000573074531 823444191 /nfs/dbraw/zinc/44/41/91/823444191.db2.gz OUFAUBLVNXGZPX-RTBURBONSA-N 1 1 382.556 4.012 20 0 GIADMO Cc1cccc(OC(F)F)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000189563017 823444572 /nfs/dbraw/zinc/44/45/72/823444572.db2.gz JKEZPLDTWLDENT-CRAIPNDOSA-N 1 1 375.419 4.163 20 0 GIADMO 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C[C@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410365783 823476255 /nfs/dbraw/zinc/47/62/55/823476255.db2.gz MDIKTKWINVZWRB-RBUKOAKNSA-N 1 1 383.536 4.332 20 0 GIADMO COCCO[C@H]1CC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000189691083 823476643 /nfs/dbraw/zinc/47/66/43/823476643.db2.gz NLZSMRCWZZFUSV-INIZCTEOSA-N 1 1 386.439 4.066 20 0 GIADMO COCCO[C@H]1CC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000189691083 823476650 /nfs/dbraw/zinc/47/66/50/823476650.db2.gz NLZSMRCWZZFUSV-INIZCTEOSA-N 1 1 386.439 4.066 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000177528176 823483062 /nfs/dbraw/zinc/48/30/62/823483062.db2.gz SRXWYFLZDZMYBL-HNNXBMFYSA-N 1 1 382.346 4.262 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCc4ccccc4C3)cc2)C1 ZINC000410370924 823478367 /nfs/dbraw/zinc/47/83/67/823478367.db2.gz DWBZSNSXLNOWBC-IBGZPJMESA-N 1 1 377.532 4.186 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000189705558 823479248 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395.547 4.139 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc3c2ccn(C)c3=O)cc1)C(C)C ZINC000410378365 823480991 /nfs/dbraw/zinc/48/09/91/823480991.db2.gz APBBMAAHLDTZHG-UHFFFAOYSA-N 1 1 377.488 4.021 20 0 GIADMO FC(F)C(F)(F)COCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000189718698 823481119 /nfs/dbraw/zinc/48/11/19/823481119.db2.gz WETODMHYFJFRPH-OAHLLOKOSA-N 1 1 376.781 4.331 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)Cc2ccc(Cl)nc2)cc1 ZINC000123226429 823481356 /nfs/dbraw/zinc/48/13/56/823481356.db2.gz GCKIPRHHLSSYBL-AWEZNQCLSA-N 1 1 383.883 4.132 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2cccc(OCCF)c2)CC[N@H+]1Cc1ccccc1 ZINC000123227647 823481604 /nfs/dbraw/zinc/48/16/04/823481604.db2.gz QLRAJPFFGXXMKV-PXNSSMCTSA-N 1 1 385.483 4.210 20 0 GIADMO CC(C)C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000573345415 823482195 /nfs/dbraw/zinc/48/21/95/823482195.db2.gz VTEVDQLCIGAKNB-UXHICEINSA-N 1 1 386.927 4.178 20 0 GIADMO C[N@H+](Cc1ncnn1-c1ccccc1)CC1(c2ccc(Br)cc2)CC1 ZINC000410382738 823482402 /nfs/dbraw/zinc/48/24/02/823482402.db2.gz MKTDKQILDMLZRY-UHFFFAOYSA-N 1 1 397.320 4.193 20 0 GIADMO C[N@@H+](Cc1ncnn1-c1ccccc1)CC1(c2ccc(Br)cc2)CC1 ZINC000410382738 823482407 /nfs/dbraw/zinc/48/24/07/823482407.db2.gz MKTDKQILDMLZRY-UHFFFAOYSA-N 1 1 397.320 4.193 20 0 GIADMO Cc1cn2nc(NC[C@@H](c3c(F)cccc3Cl)[NH+]3CCCC3)sc2n1 ZINC000029622191 820486281 /nfs/dbraw/zinc/48/62/81/820486281.db2.gz OCQXEFQUXHZMNF-AWEZNQCLSA-N 1 1 379.892 4.141 20 0 GIADMO Cc1cccc([C@H](CNc2ncnc3cc(Cl)ccc32)[NH+]2CCOCC2)c1 ZINC000029626729 820487596 /nfs/dbraw/zinc/48/75/96/820487596.db2.gz IUYXUACCDZBYJI-FQEVSTJZSA-N 1 1 382.895 4.077 20 0 GIADMO Cc1ccc(Cl)c(OCC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)c1 ZINC000029633994 820489029 /nfs/dbraw/zinc/48/90/29/820489029.db2.gz WQFHHFVJJJYUJX-UHFFFAOYSA-N 1 1 393.940 4.498 20 0 GIADMO O=C(CCCOc1ccc(F)cc1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029639346 820489832 /nfs/dbraw/zinc/48/98/32/820489832.db2.gz BVZOPDXUHWXKJL-UHFFFAOYSA-N 1 1 391.512 4.456 20 0 GIADMO COc1ccc(C([NH2+]CC(=O)Nc2cccc(F)c2)c2ccc(OC)cc2)cc1 ZINC000029645087 820491272 /nfs/dbraw/zinc/49/12/72/820491272.db2.gz SWEXJQOKGLSCSX-UHFFFAOYSA-N 1 1 394.446 4.161 20 0 GIADMO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000410390380 823484052 /nfs/dbraw/zinc/48/40/52/823484052.db2.gz PGBHEIAIYBGVAI-SFHVURJKSA-N 1 1 393.453 4.248 20 0 GIADMO Cc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)cs2)o1 ZINC000029705015 820501633 /nfs/dbraw/zinc/50/16/33/820501633.db2.gz QWUAOKFOKUBPKY-OAHLLOKOSA-N 1 1 379.489 4.485 20 0 GIADMO Cc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)cs2)o1 ZINC000029705015 820501647 /nfs/dbraw/zinc/50/16/47/820501647.db2.gz QWUAOKFOKUBPKY-OAHLLOKOSA-N 1 1 379.489 4.485 20 0 GIADMO CCOC(=O)c1ccsc1NC(=O)C[N@H+](CC)Cc1cccc(Cl)c1 ZINC000059038027 823484318 /nfs/dbraw/zinc/48/43/18/823484318.db2.gz SYXDNQGRIJLFIC-UHFFFAOYSA-N 1 1 380.897 4.039 20 0 GIADMO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000059038027 823484322 /nfs/dbraw/zinc/48/43/22/823484322.db2.gz SYXDNQGRIJLFIC-UHFFFAOYSA-N 1 1 380.897 4.039 20 0 GIADMO Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029716635 820505463 /nfs/dbraw/zinc/50/54/63/820505463.db2.gz VIAKKZCNZFFRRL-UHFFFAOYSA-N 1 1 398.890 4.157 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000573363542 823484735 /nfs/dbraw/zinc/48/47/35/823484735.db2.gz RMBPEFYSSQYEEY-UHFFFAOYSA-N 1 1 391.397 4.240 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)C1 ZINC000177536147 823485299 /nfs/dbraw/zinc/48/52/99/823485299.db2.gz CMGBFJQTPVIEFE-SFHVURJKSA-N 1 1 385.483 4.210 20 0 GIADMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)[C@@H](c2ccccc2)C1 ZINC000029803407 820521713 /nfs/dbraw/zinc/52/17/13/820521713.db2.gz WHHRFDVXHHWDEK-VDZCTEQFSA-N 1 1 391.902 4.417 20 0 GIADMO C[N@H+]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)[C@@H](c2ccccc2)C1 ZINC000029803407 820521719 /nfs/dbraw/zinc/52/17/19/820521719.db2.gz WHHRFDVXHHWDEK-VDZCTEQFSA-N 1 1 391.902 4.417 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000029810944 820522917 /nfs/dbraw/zinc/52/29/17/820522917.db2.gz XGDIJDKMHAALST-FQEVSTJZSA-N 1 1 394.906 4.143 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000059286562 823489595 /nfs/dbraw/zinc/48/95/95/823489595.db2.gz KHQDNAUYUZULLT-IYBDPMFKSA-N 1 1 395.547 4.242 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1)NCc1ccccc1Cl ZINC000029828605 820527326 /nfs/dbraw/zinc/52/73/26/820527326.db2.gz MGDXKDDUGZMTNA-KRWDZBQOSA-N 1 1 397.906 4.367 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)c1ccccc1 ZINC000029847837 820532045 /nfs/dbraw/zinc/53/20/45/820532045.db2.gz NPGGWAABGYGOHV-SFHVURJKSA-N 1 1 381.303 4.378 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H](O)c1ccccc1 ZINC000029847837 820532054 /nfs/dbraw/zinc/53/20/54/820532054.db2.gz NPGGWAABGYGOHV-SFHVURJKSA-N 1 1 381.303 4.378 20 0 GIADMO O=C([C@H]1CC1(Cl)Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029874933 820538067 /nfs/dbraw/zinc/53/80/67/820538067.db2.gz ZFHUNEKOJPGACP-GOSISDBHSA-N 1 1 389.326 4.114 20 0 GIADMO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000123262131 823487239 /nfs/dbraw/zinc/48/72/39/823487239.db2.gz HLQOTCQLBNTHLW-YWZLYKJASA-N 1 1 381.501 4.248 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000059263695 823487835 /nfs/dbraw/zinc/48/78/35/823487835.db2.gz ZCZFIAWEJYGLDE-LJQANCHMSA-N 1 1 395.507 4.072 20 0 GIADMO COc1ccccc1-c1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)no1 ZINC000030016939 820570312 /nfs/dbraw/zinc/57/03/12/820570312.db2.gz QKBXBPXDRBCCDJ-SFHVURJKSA-N 1 1 399.878 4.036 20 0 GIADMO C[N@H+](Cc1ccc(Br)o1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000030215780 820587672 /nfs/dbraw/zinc/58/76/72/820587672.db2.gz GNGHKWBWBBYEQS-UHFFFAOYSA-N 1 1 386.673 4.489 20 0 GIADMO C[N@@H+](Cc1ccc(Br)o1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000030215780 820587678 /nfs/dbraw/zinc/58/76/78/820587678.db2.gz GNGHKWBWBBYEQS-UHFFFAOYSA-N 1 1 386.673 4.489 20 0 GIADMO CCCOc1c(Br)cc(C[NH2+][C@@H](COC)c2ccco2)cc1OC ZINC000177574114 823494356 /nfs/dbraw/zinc/49/43/56/823494356.db2.gz VOQAFJGYRBJELC-HNNXBMFYSA-N 1 1 398.297 4.317 20 0 GIADMO COc1cc(C[NH2+]C2(c3nc(C)cs3)CCCC2)cc(Br)c1O ZINC000177558508 823490954 /nfs/dbraw/zinc/49/09/54/823490954.db2.gz DEUDTCPAJVSEMO-UHFFFAOYSA-N 1 1 397.338 4.487 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)ccc1OC(C)C ZINC000030454977 820618679 /nfs/dbraw/zinc/61/86/79/820618679.db2.gz APUIPTWGIOBNJR-ZHRRBRCNSA-N 1 1 382.504 4.153 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000410419035 823491688 /nfs/dbraw/zinc/49/16/88/823491688.db2.gz FSDCCMVMDDJKRE-QGZVFWFLSA-N 1 1 380.879 4.134 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000189776305 823492279 /nfs/dbraw/zinc/49/22/79/823492279.db2.gz HPKOXTNSDRKBID-GJZGRUSLSA-N 1 1 378.480 4.231 20 0 GIADMO C[N@@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1cccc2ccccc21 ZINC000030536945 820634633 /nfs/dbraw/zinc/63/46/33/820634633.db2.gz OMHHYZZRSCXQAM-OAHLLOKOSA-N 1 1 390.277 4.067 20 0 GIADMO C[N@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1cccc2ccccc21 ZINC000030536945 820634642 /nfs/dbraw/zinc/63/46/42/820634642.db2.gz OMHHYZZRSCXQAM-OAHLLOKOSA-N 1 1 390.277 4.067 20 0 GIADMO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)cs1 ZINC000189776208 823492334 /nfs/dbraw/zinc/49/23/34/823492334.db2.gz GEQBCJJIMQEJPF-XJKSGUPXSA-N 1 1 387.332 4.335 20 0 GIADMO Cc1nc([C@H]2CCC[N@H+]2C[C@H](O)COc2cc(Cl)ccc2Cl)cs1 ZINC000189776208 823492338 /nfs/dbraw/zinc/49/23/38/823492338.db2.gz GEQBCJJIMQEJPF-XJKSGUPXSA-N 1 1 387.332 4.335 20 0 GIADMO CCOc1c(Br)cc(C[NH2+][C@@H](COC)c2ccc(C)o2)cc1OC ZINC000177569009 823493150 /nfs/dbraw/zinc/49/31/50/823493150.db2.gz UBWDFQSMWBPCMA-HNNXBMFYSA-N 1 1 398.297 4.235 20 0 GIADMO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000123303361 823493328 /nfs/dbraw/zinc/49/33/28/823493328.db2.gz DELQJDHGDCIFTH-YWZLYKJASA-N 1 1 381.501 4.248 20 0 GIADMO CC(C)Cn1c(C2CC2)nnc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460736734 823500215 /nfs/dbraw/zinc/50/02/15/823500215.db2.gz MTVMTWGNVHBTRH-UHFFFAOYSA-N 1 1 387.959 4.177 20 0 GIADMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000059423135 823496195 /nfs/dbraw/zinc/49/61/95/823496195.db2.gz UUYBATSSVGZUGW-HSZRJFAPSA-N 1 1 396.531 4.220 20 0 GIADMO CCc1cnc(CN(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000123334692 823497779 /nfs/dbraw/zinc/49/77/79/823497779.db2.gz BPFFFNDQHXQCDS-CQSZACIVSA-N 1 1 383.521 4.102 20 0 GIADMO Cc1ccc2cc(C[N@H+]3CCCN(C(=O)CCc4ccccc4)CC3)ccc2n1 ZINC000189807052 823498388 /nfs/dbraw/zinc/49/83/88/823498388.db2.gz BSWIIBWVAJJWIU-UHFFFAOYSA-N 1 1 387.527 4.210 20 0 GIADMO Cc1cc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1NC(=O)CC(C)C ZINC000460731617 823498461 /nfs/dbraw/zinc/49/84/61/823498461.db2.gz UEZSWSFGLGEDDU-HDICACEKSA-N 1 1 387.568 4.077 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2cccc3ccccc32)[C@H](C)C1 ZINC000410480481 823498593 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GIADMO C[C@H]1CN(C(=O)Nc2ccc(SC3CCCC3)cc2)CC[N@H+]1CC(C)(C)O ZINC000190120317 823540086 /nfs/dbraw/zinc/54/00/86/823540086.db2.gz UFUQPQPLECWKAR-INIZCTEOSA-N 1 1 391.581 4.030 20 0 GIADMO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)sc1C ZINC000042132669 821272428 /nfs/dbraw/zinc/27/24/28/821272428.db2.gz VYROASYGXCBAKM-ZFWWWQNUSA-N 1 1 384.505 4.108 20 0 GIADMO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)sc1C ZINC000042132669 821272438 /nfs/dbraw/zinc/27/24/38/821272438.db2.gz VYROASYGXCBAKM-ZFWWWQNUSA-N 1 1 384.505 4.108 20 0 GIADMO CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)CC1 ZINC000042133783 821273024 /nfs/dbraw/zinc/27/30/24/821273024.db2.gz PWYWJCHMHZKCEQ-MSOLQXFVSA-N 1 1 387.568 4.155 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000042147939 821274476 /nfs/dbraw/zinc/27/44/76/821274476.db2.gz KZFDCJYDXXLFQN-SFHVURJKSA-N 1 1 387.568 4.024 20 0 GIADMO CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000042148024 821274657 /nfs/dbraw/zinc/27/46/57/821274657.db2.gz DIXCCHFTZSOZEB-CQSZACIVSA-N 1 1 378.467 4.071 20 0 GIADMO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229135 821289236 /nfs/dbraw/zinc/28/92/36/821289236.db2.gz HUNLJWIYABIBGY-MRXNPFEDSA-N 1 1 393.362 4.121 20 0 GIADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)Cc1cccc(Cl)c1 ZINC000042332422 821301333 /nfs/dbraw/zinc/30/13/33/821301333.db2.gz XMIGBSIMMHODNW-MRVPVSSYSA-N 1 1 392.755 4.495 20 0 GIADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042332422 821301342 /nfs/dbraw/zinc/30/13/42/821301342.db2.gz XMIGBSIMMHODNW-MRVPVSSYSA-N 1 1 392.755 4.495 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)C2CC2)cc1 ZINC000042574467 821312637 /nfs/dbraw/zinc/31/26/37/821312637.db2.gz CDNLQBBUYOTWHB-ISKFKSNPSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)C2CC2)cc1 ZINC000042574467 821312647 /nfs/dbraw/zinc/31/26/47/821312647.db2.gz CDNLQBBUYOTWHB-ISKFKSNPSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc(C[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C2CC2)cc1 ZINC000042743636 821329899 /nfs/dbraw/zinc/32/98/99/821329899.db2.gz BGIBRCABVIGDFN-UHFFFAOYSA-N 1 1 377.488 4.172 20 0 GIADMO C[N@@H+]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H](c2ccccc2)C1 ZINC000042850330 821337246 /nfs/dbraw/zinc/33/72/46/821337246.db2.gz PQAFJYYECNXJEG-OAQYLSRUSA-N 1 1 389.499 4.180 20 0 GIADMO C[N@H+]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H](c2ccccc2)C1 ZINC000042850330 821337250 /nfs/dbraw/zinc/33/72/50/821337250.db2.gz PQAFJYYECNXJEG-OAQYLSRUSA-N 1 1 389.499 4.180 20 0 GIADMO COc1ccc(CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000042927013 821345704 /nfs/dbraw/zinc/34/57/04/821345704.db2.gz XZMFXODNVIHMPT-UHFFFAOYSA-N 1 1 392.503 4.428 20 0 GIADMO Cc1ccc(C)c(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000043122749 821364494 /nfs/dbraw/zinc/36/44/94/821364494.db2.gz SCROVPBHEZPUMZ-KDURUIRLSA-N 1 1 381.520 4.234 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccco1 ZINC000043137527 821366372 /nfs/dbraw/zinc/36/63/72/821366372.db2.gz OFTXXVVCHPVWSV-HOTGVXAUSA-N 1 1 384.505 4.039 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1)c1ccco1 ZINC000043138012 821366958 /nfs/dbraw/zinc/36/69/58/821366958.db2.gz BSZLSRIPLGLJPO-CTNGQTDRSA-N 1 1 381.451 4.110 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180625414 821373448 /nfs/dbraw/zinc/37/34/48/821373448.db2.gz YXMPUDBLTIQUAH-OALUTQOASA-N 1 1 397.567 4.497 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180625414 821373458 /nfs/dbraw/zinc/37/34/58/821373458.db2.gz YXMPUDBLTIQUAH-OALUTQOASA-N 1 1 397.567 4.497 20 0 GIADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000043171393 821373719 /nfs/dbraw/zinc/37/37/19/821373719.db2.gz XMTATLZYMSSYLF-GOSISDBHSA-N 1 1 375.557 4.412 20 0 GIADMO Cn1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c(-c2cccnc2)n1 ZINC000180645983 821381016 /nfs/dbraw/zinc/38/10/16/821381016.db2.gz YJLOMKQPSUPYGF-UHFFFAOYSA-N 1 1 376.382 4.013 20 0 GIADMO O=C(Nc1ccc(F)cc1Cl)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000043262868 821382532 /nfs/dbraw/zinc/38/25/32/821382532.db2.gz VDAMSWXOHUSLKU-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO O=C(Nc1ccc(F)cc1Cl)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000043262868 821382540 /nfs/dbraw/zinc/38/25/40/821382540.db2.gz VDAMSWXOHUSLKU-UHFFFAOYSA-N 1 1 379.838 4.358 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)cc3Cl)CC2)cc1 ZINC000043262866 821382590 /nfs/dbraw/zinc/38/25/90/821382590.db2.gz FFWUKWAIMNAZJQ-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180653740 821383545 /nfs/dbraw/zinc/38/35/45/821383545.db2.gz ICLRIGZJRPEQPA-QRWLVFNGSA-N 1 1 385.895 4.279 20 0 GIADMO CC[C@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1cc(F)ccc1F ZINC000180654758 821384455 /nfs/dbraw/zinc/38/44/55/821384455.db2.gz XWARMQGQAMJKBT-SFHVURJKSA-N 1 1 397.462 4.058 20 0 GIADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000180667620 821388528 /nfs/dbraw/zinc/38/85/28/821388528.db2.gz SBVGGMQEXVXTCT-LJQANCHMSA-N 1 1 384.549 4.178 20 0 GIADMO CC[C@@H](CSC)[N@@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000180677656 821392154 /nfs/dbraw/zinc/39/21/54/821392154.db2.gz UARWBHHAKLVKHM-INIZCTEOSA-N 1 1 391.562 4.012 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180685967 821394623 /nfs/dbraw/zinc/39/46/23/821394623.db2.gz ASWKCHFKLIUKKK-ROUUACIJSA-N 1 1 399.963 4.198 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)NC2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180685967 821394633 /nfs/dbraw/zinc/39/46/33/821394633.db2.gz ASWKCHFKLIUKKK-ROUUACIJSA-N 1 1 399.963 4.198 20 0 GIADMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000180750391 821433099 /nfs/dbraw/zinc/43/30/99/821433099.db2.gz RNDCDXCFOPQYJM-UHFFFAOYSA-N 1 1 388.581 4.216 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043643491 821435401 /nfs/dbraw/zinc/43/54/01/821435401.db2.gz KRZJUFLJMYROGS-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043643491 821435405 /nfs/dbraw/zinc/43/54/05/821435405.db2.gz KRZJUFLJMYROGS-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043649050 821435908 /nfs/dbraw/zinc/43/59/08/821435908.db2.gz KSYZNEWLFZZYOT-CYBMUJFWSA-N 1 1 393.409 4.123 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043649050 821435915 /nfs/dbraw/zinc/43/59/15/821435915.db2.gz KSYZNEWLFZZYOT-CYBMUJFWSA-N 1 1 393.409 4.123 20 0 GIADMO Cc1cc(CC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000180761150 821440076 /nfs/dbraw/zinc/44/00/76/821440076.db2.gz ZWMCAEVZTGCMFK-IEBWSBKVSA-N 1 1 393.890 4.048 20 0 GIADMO Cc1cc(CC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000180761150 821440082 /nfs/dbraw/zinc/44/00/82/821440082.db2.gz ZWMCAEVZTGCMFK-IEBWSBKVSA-N 1 1 393.890 4.048 20 0 GIADMO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)o2)o1)c1ccc(OC)cc1 ZINC000180771444 821446119 /nfs/dbraw/zinc/44/61/19/821446119.db2.gz SJYQPFHTKQPOBM-CYBMUJFWSA-N 1 1 392.253 4.342 20 0 GIADMO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cn2)C[C@H](C)O1 ZINC000180794102 821462375 /nfs/dbraw/zinc/46/23/75/821462375.db2.gz RDHAHHPUHASWGC-ROUUACIJSA-N 1 1 393.487 4.370 20 0 GIADMO Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043809937 821462530 /nfs/dbraw/zinc/46/25/30/821462530.db2.gz SYCKONBAAYTDID-UHFFFAOYSA-N 1 1 377.463 4.030 20 0 GIADMO Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)cn2)cc1 ZINC000180800407 821465489 /nfs/dbraw/zinc/46/54/89/821465489.db2.gz MUHFDRLKFAEMNT-QGZVFWFLSA-N 1 1 393.388 4.064 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc(-n2cccn2)cc1 ZINC000180836819 821487923 /nfs/dbraw/zinc/48/79/23/821487923.db2.gz YUXDOXKUXFKIHZ-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863760 821501182 /nfs/dbraw/zinc/50/11/82/821501182.db2.gz UPSNJEJGJSJQKH-MSOLQXFVSA-N 1 1 395.551 4.251 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863760 821501185 /nfs/dbraw/zinc/50/11/85/821501185.db2.gz UPSNJEJGJSJQKH-MSOLQXFVSA-N 1 1 395.551 4.251 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044031785 821507852 /nfs/dbraw/zinc/50/78/52/821507852.db2.gz BNFWLOBRDGXNNQ-UHFFFAOYSA-N 1 1 394.519 4.021 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=S)NCCCCN1CC[NH+](C)CC1 ZINC000044076162 821516217 /nfs/dbraw/zinc/51/62/17/821516217.db2.gz CDADWSIYGKQYOW-UHFFFAOYSA-N 1 1 390.641 4.247 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)c1OC ZINC000044089794 821521076 /nfs/dbraw/zinc/52/10/76/821521076.db2.gz SKCLMPFXZMXSKF-INIZCTEOSA-N 1 1 396.487 4.101 20 0 GIADMO COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)c1OC ZINC000044089794 821521081 /nfs/dbraw/zinc/52/10/81/821521081.db2.gz SKCLMPFXZMXSKF-INIZCTEOSA-N 1 1 396.487 4.101 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=S)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000044099071 821522873 /nfs/dbraw/zinc/52/28/73/821522873.db2.gz QUOLLWUWCRVVMC-AWEZNQCLSA-N 1 1 389.487 4.384 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000044101460 821523369 /nfs/dbraw/zinc/52/33/69/821523369.db2.gz YNLNJCDYGCAFRL-GASCZTMLSA-N 1 1 385.524 4.333 20 0 GIADMO COC(=O)COc1cccc(C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000180909845 821531233 /nfs/dbraw/zinc/53/12/33/821531233.db2.gz OTDAWORYXQHGHY-OAHLLOKOSA-N 1 1 382.485 4.213 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000180963264 821559000 /nfs/dbraw/zinc/55/90/00/821559000.db2.gz SEUGBJXFONLUJO-UHFFFAOYSA-N 1 1 377.448 4.079 20 0 GIADMO COc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1OC1CCCC1 ZINC000044335541 821572762 /nfs/dbraw/zinc/57/27/62/821572762.db2.gz QYZRALHYVMWZHZ-QGZVFWFLSA-N 1 1 387.480 4.034 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000044366807 821578561 /nfs/dbraw/zinc/57/85/61/821578561.db2.gz DMLBYBNSHKKJGN-KGLIPLIRSA-N 1 1 386.462 4.013 20 0 GIADMO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533161 821601048 /nfs/dbraw/zinc/60/10/48/821601048.db2.gz DBSXSPWPJZWTQO-VXGBXAGGSA-N 1 1 390.163 4.204 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@H](c3cccc(Cl)c3)C3CCCC3)sc2n1 ZINC000181043829 821608970 /nfs/dbraw/zinc/60/89/70/821608970.db2.gz XSVNXYQWYCSEEB-SFHVURJKSA-N 1 1 388.924 4.134 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(OC(F)F)c3)cc2)C[C@H](C)O1 ZINC000044580613 821614545 /nfs/dbraw/zinc/61/45/45/821614545.db2.gz URCWXZLAHATIMX-GASCZTMLSA-N 1 1 390.430 4.150 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(OC(F)F)c3)cc2)C[C@H](C)O1 ZINC000044580613 821614551 /nfs/dbraw/zinc/61/45/51/821614551.db2.gz URCWXZLAHATIMX-GASCZTMLSA-N 1 1 390.430 4.150 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000181100501 821631993 /nfs/dbraw/zinc/63/19/93/821631993.db2.gz DIRPJPFEUWKNNL-SFHVURJKSA-N 1 1 378.476 4.025 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc(F)c1 ZINC000181108755 821638002 /nfs/dbraw/zinc/63/80/02/821638002.db2.gz XNZJTCORLJXQHT-INIZCTEOSA-N 1 1 391.397 4.064 20 0 GIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(c2ccccc2)c2ccccc2)c1 ZINC000181133330 821653587 /nfs/dbraw/zinc/65/35/87/821653587.db2.gz VKDXKKSNDUYZSU-QHCPKHFHSA-N 1 1 385.511 4.338 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC2)[nH+]1 ZINC000181132965 821653633 /nfs/dbraw/zinc/65/36/33/821653633.db2.gz BPOIMBUNYFJYFN-HNNXBMFYSA-N 1 1 386.462 4.025 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000181136047 821655761 /nfs/dbraw/zinc/65/57/61/821655761.db2.gz ADOSOYPXXIDNHC-QGZVFWFLSA-N 1 1 379.504 4.277 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000181152463 821666299 /nfs/dbraw/zinc/66/62/99/821666299.db2.gz YGGZLUKFXVGPDK-LJQANCHMSA-N 1 1 382.552 4.289 20 0 GIADMO CC[N@@H+]1CC[C@@H](NC(=O)CCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181155932 821668526 /nfs/dbraw/zinc/66/85/26/821668526.db2.gz PZBMLWXWJCZHSV-NQIIRXRSSA-N 1 1 390.886 4.069 20 0 GIADMO CC[N@H+]1CC[C@@H](NC(=O)CCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181155932 821668532 /nfs/dbraw/zinc/66/85/32/821668532.db2.gz PZBMLWXWJCZHSV-NQIIRXRSSA-N 1 1 390.886 4.069 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COc3ccccc3Cl)cc2)C1 ZINC000044879141 821676449 /nfs/dbraw/zinc/67/64/49/821676449.db2.gz QCIDSCRUJUVENG-KRWDZBQOSA-N 1 1 386.923 4.267 20 0 GIADMO Cc1sc2nc([C@@H](C)N3CCC(CCC[NH+](C)C)CC3)nc(N)c2c1C ZINC000181191354 821686854 /nfs/dbraw/zinc/68/68/54/821686854.db2.gz NJCWUMCFVAKLOJ-CQSZACIVSA-N 1 1 375.586 4.005 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(Cl)c1F ZINC000181193382 821688207 /nfs/dbraw/zinc/68/82/07/821688207.db2.gz JQJCICGZEKRTQR-LBPRGKRZSA-N 1 1 384.879 4.322 20 0 GIADMO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(OC)cc1 ZINC000181215380 821702336 /nfs/dbraw/zinc/70/23/36/821702336.db2.gz DGGHTKWMWPSLJN-JZWVFAODSA-N 1 1 380.532 4.358 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000181302589 821744666 /nfs/dbraw/zinc/74/46/66/821744666.db2.gz KTUOPLISRIVXNX-YPMHNXCESA-N 1 1 379.430 4.361 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000181371635 821792875 /nfs/dbraw/zinc/79/28/75/821792875.db2.gz UUCIDDGHMRFJSB-UHFFFAOYSA-N 1 1 380.517 4.057 20 0 GIADMO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cc(F)ccc2Br)s1 ZINC000181392917 821803148 /nfs/dbraw/zinc/80/31/48/821803148.db2.gz TYJAIJZZTFGXFM-SNVBAGLBSA-N 1 1 387.318 4.393 20 0 GIADMO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000181393514 821803679 /nfs/dbraw/zinc/80/36/79/821803679.db2.gz SNJJEEOLXWPPOZ-MEDUHNTESA-N 1 1 384.701 4.495 20 0 GIADMO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000181413012 821812287 /nfs/dbraw/zinc/81/22/87/821812287.db2.gz GXVRYYNACCCZGJ-GJJHYRHESA-N 1 1 387.593 4.146 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccc(F)c(F)c1 ZINC000181414863 821813584 /nfs/dbraw/zinc/81/35/84/821813584.db2.gz BIRYGXRADWMJDJ-IBGZPJMESA-N 1 1 376.447 4.312 20 0 GIADMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)n[nH]1 ZINC000181426210 821820557 /nfs/dbraw/zinc/82/05/57/821820557.db2.gz FDSBDXMDDWATIP-ONGXEEELSA-N 1 1 375.366 4.203 20 0 GIADMO Cc1ccc([C@@H]([NH2+][C@@H](C)c2cccnc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181428242 821821663 /nfs/dbraw/zinc/82/16/63/821821663.db2.gz BYBKHOAHVZLIQJ-HTAPYJJXSA-N 1 1 380.513 4.234 20 0 GIADMO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1OC ZINC000181433347 821825193 /nfs/dbraw/zinc/82/51/93/821825193.db2.gz DYXOGXZPBMHRSF-WAIKUNEKSA-N 1 1 394.471 4.393 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)C[C@@H]3CCCC[C@@H]3O)cs2)cc1OC ZINC000181440839 821827833 /nfs/dbraw/zinc/82/78/33/821827833.db2.gz RRZHSCOTMGYRDE-WMZOPIPTSA-N 1 1 390.549 4.200 20 0 GIADMO CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc12 ZINC000181462872 821837738 /nfs/dbraw/zinc/83/77/38/821837738.db2.gz RJJLWZBITPDPNX-GJZGRUSLSA-N 1 1 388.581 4.141 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181463845 821838364 /nfs/dbraw/zinc/83/83/64/821838364.db2.gz QCYQAXCEEUNOIQ-GOSISDBHSA-N 1 1 392.551 4.393 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181463845 821838370 /nfs/dbraw/zinc/83/83/70/821838370.db2.gz QCYQAXCEEUNOIQ-GOSISDBHSA-N 1 1 392.551 4.393 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000181477980 821844132 /nfs/dbraw/zinc/84/41/32/821844132.db2.gz KZVHIMKNFSUMOO-OAQYLSRUSA-N 1 1 394.519 4.051 20 0 GIADMO COc1cc2c(cc1NC(=O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)oc1ccccc12 ZINC000181482898 821846023 /nfs/dbraw/zinc/84/60/23/821846023.db2.gz FNZMSQDIFSOYRT-KXBFYZLASA-N 1 1 396.487 4.016 20 0 GIADMO Cc1nc(CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cs1 ZINC000181492696 821851067 /nfs/dbraw/zinc/85/10/67/821851067.db2.gz RIVOVDXGXGKGDX-UHFFFAOYSA-N 1 1 398.359 4.082 20 0 GIADMO C[C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cccnc1 ZINC000181493900 821852041 /nfs/dbraw/zinc/85/20/41/821852041.db2.gz GMLYTZMOXUANEC-AWEZNQCLSA-N 1 1 392.330 4.273 20 0 GIADMO Cc1ncccc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181494925 821852516 /nfs/dbraw/zinc/85/25/16/821852516.db2.gz FFZNVNNNSVQJDJ-UHFFFAOYSA-N 1 1 378.303 4.091 20 0 GIADMO O=C(Cc1cccs1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181495110 821852687 /nfs/dbraw/zinc/85/26/87/821852687.db2.gz QWUFTWVNAIYRMA-UHFFFAOYSA-N 1 1 383.344 4.378 20 0 GIADMO C[C@H]([NH2+]Cc1csc(Nc2ccccc2)n1)c1ccc(-n2cncn2)cc1 ZINC000181510026 821860666 /nfs/dbraw/zinc/86/06/66/821860666.db2.gz YDPQZOBBGGLCKG-HNNXBMFYSA-N 1 1 376.489 4.318 20 0 GIADMO Cc1ccc(CNC(=O)c2nnc(C[NH2+][C@@H](C)[C@@H](C)c3ccccc3)s2)cc1 ZINC000181522791 821866099 /nfs/dbraw/zinc/86/60/99/821866099.db2.gz CQQAZGKCWMQGBI-SJORKVTESA-N 1 1 394.544 4.058 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc(O)c1 ZINC000181570336 821883965 /nfs/dbraw/zinc/88/39/65/821883965.db2.gz QFNYBOSXJIMXCM-LLVKDONJSA-N 1 1 389.427 4.083 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000181578813 821886616 /nfs/dbraw/zinc/88/66/16/821886616.db2.gz BSZJPZVKCMIJCO-CHWSQXEVSA-N 1 1 389.471 4.272 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000181578796 821886718 /nfs/dbraw/zinc/88/67/18/821886718.db2.gz BSZJPZVKCMIJCO-QWHCGFSZSA-N 1 1 389.471 4.272 20 0 GIADMO Cc1csc(Sc2ccc(NC(=O)N3CCC[N@H+](C)CC3)c(C)c2)n1 ZINC000181582520 821888695 /nfs/dbraw/zinc/88/86/95/821888695.db2.gz UIYMTKPFWYYWCW-UHFFFAOYSA-N 1 1 376.551 4.081 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000181592419 821893846 /nfs/dbraw/zinc/89/38/46/821893846.db2.gz ULRIJBOVTNGSAD-ICSRJNTNSA-N 1 1 384.524 4.070 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)n1 ZINC000181591792 821894112 /nfs/dbraw/zinc/89/41/12/821894112.db2.gz YCYBTMSCCWMWCF-HNNXBMFYSA-N 1 1 385.411 4.030 20 0 GIADMO COc1ccc([C@H](NC(=O)C[NH2+][C@H](c2nc(C)cs2)C2CC2)C(C)C)cc1 ZINC000181592880 821894734 /nfs/dbraw/zinc/89/47/34/821894734.db2.gz OOXSRLNYJMWZTM-UXHICEINSA-N 1 1 387.549 4.014 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Br)cc2)C2CC2)n1 ZINC000181595883 821895513 /nfs/dbraw/zinc/89/55/13/821895513.db2.gz YJIYFABTAOCXMI-XHDPSFHLSA-N 1 1 394.338 4.282 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc(Br)c(C)c2)C2CC2)n1 ZINC000181595202 821895647 /nfs/dbraw/zinc/89/56/47/821895647.db2.gz MRSMQDOOEREOOI-MRXNPFEDSA-N 1 1 394.338 4.202 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)CC1 ZINC000181609976 821901757 /nfs/dbraw/zinc/90/17/57/821901757.db2.gz PDGJEMNXHHCQBO-UHFFFAOYSA-N 1 1 397.413 4.232 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)C2CC2)n1 ZINC000181610478 821902498 /nfs/dbraw/zinc/90/24/98/821902498.db2.gz YKKXLBJJTRNSAW-MRXNPFEDSA-N 1 1 394.338 4.202 20 0 GIADMO C[C@@H](NC(=O)CSc1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181639925 821918245 /nfs/dbraw/zinc/91/82/45/821918245.db2.gz YBWIOFFTIQCUFF-CABCVRRESA-N 1 1 389.590 4.158 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000181654151 821924996 /nfs/dbraw/zinc/92/49/96/821924996.db2.gz MCODNQYHRQASCO-CABCVRRESA-N 1 1 391.309 4.203 20 0 GIADMO C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181665957 821932926 /nfs/dbraw/zinc/93/29/26/821932926.db2.gz OZYKUWXEMCQGTB-ICSRJNTNSA-N 1 1 395.547 4.434 20 0 GIADMO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2cc(Cl)ccc2o1 ZINC000181670318 821935616 /nfs/dbraw/zinc/93/56/16/821935616.db2.gz WIYXDFTUUVMSJI-HNNXBMFYSA-N 1 1 399.922 4.228 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000181685529 821943814 /nfs/dbraw/zinc/94/38/14/821943814.db2.gz BYIDDOGPDIZLMY-MRXNPFEDSA-N 1 1 386.801 4.275 20 0 GIADMO CC[C@@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccc(C)cc1 ZINC000181708125 821953023 /nfs/dbraw/zinc/95/30/23/821953023.db2.gz SQCBXAMTZBXBPP-QGZVFWFLSA-N 1 1 375.398 4.230 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1cccc(OCc2ccccn2)c1 ZINC000181710530 821954434 /nfs/dbraw/zinc/95/44/34/821954434.db2.gz WLUHFFDJZANBTA-MRXNPFEDSA-N 1 1 389.503 4.315 20 0 GIADMO O=C(CC[N@H+]1CCCCC[C@H]1c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181711220 821955254 /nfs/dbraw/zinc/95/52/54/821955254.db2.gz VEXHZJKIWBAXJL-KRWDZBQOSA-N 1 1 375.400 4.273 20 0 GIADMO Cn1c(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)nnc1C1CCC1 ZINC000181716069 821958504 /nfs/dbraw/zinc/95/85/04/821958504.db2.gz YERTWGNTBFSSMW-HXUWFJFHSA-N 1 1 382.458 4.434 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181735219 821968400 /nfs/dbraw/zinc/96/84/00/821968400.db2.gz JAVKJUCZZBOJPR-LLVKDONJSA-N 1 1 387.377 4.201 20 0 GIADMO CC(C)Cn1cc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cn1 ZINC000181790272 821993334 /nfs/dbraw/zinc/99/33/34/821993334.db2.gz KXNCKFCVTRECOP-UHFFFAOYSA-N 1 1 388.256 4.193 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](CC(C)C)c3ccccc3)nc2c1 ZINC000181795871 821995714 /nfs/dbraw/zinc/99/57/14/821995714.db2.gz IBUHYWQBIWOBGG-SFHVURJKSA-N 1 1 386.517 4.498 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](CC(C)C)c2cccc(C(F)(F)F)c2)cs1 ZINC000181873991 822022936 /nfs/dbraw/zinc/02/29/36/822022936.db2.gz SNJGHVROFSIBEC-MRXNPFEDSA-N 1 1 399.482 4.327 20 0 GIADMO C[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccc(-n2cncn2)cc1 ZINC000181878903 822024695 /nfs/dbraw/zinc/02/46/95/822024695.db2.gz MKGUEJKBOCSXAS-LBPRGKRZSA-N 1 1 375.245 4.020 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)o2)cc1C ZINC000181903818 822032510 /nfs/dbraw/zinc/03/25/10/822032510.db2.gz LCRYJUITRKXGIZ-IAGOWNOFSA-N 1 1 388.475 4.346 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(Cl)cc1F ZINC000181934670 822039430 /nfs/dbraw/zinc/03/94/30/822039430.db2.gz MINPZASGMGSPKF-OAQYLSRUSA-N 1 1 390.934 4.113 20 0 GIADMO CN(C)C(=O)Cc1nc(C[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)cs1 ZINC000181951307 822043620 /nfs/dbraw/zinc/04/36/20/822043620.db2.gz AKSLQXYDQXTTDE-FVNWOWOISA-N 1 1 389.590 4.293 20 0 GIADMO CN(C)C(=O)Cc1nc(C[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)cs1 ZINC000181951307 822043627 /nfs/dbraw/zinc/04/36/27/822043627.db2.gz AKSLQXYDQXTTDE-FVNWOWOISA-N 1 1 389.590 4.293 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)cs1 ZINC000181968055 822048380 /nfs/dbraw/zinc/04/83/80/822048380.db2.gz JGVHOCGAKLGXLO-QGZVFWFLSA-N 1 1 399.482 4.327 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000181982576 822052710 /nfs/dbraw/zinc/05/27/10/822052710.db2.gz JSBUJUWQKFVSDU-MGPUTAFESA-N 1 1 388.458 4.378 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(F)c1F ZINC000181988507 822054754 /nfs/dbraw/zinc/05/47/54/822054754.db2.gz WJQLBXORDPNCRI-RQJHMYQMSA-N 1 1 394.290 4.338 20 0 GIADMO COc1ccccc1-c1nc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)cs1 ZINC000182034141 822068928 /nfs/dbraw/zinc/06/89/28/822068928.db2.gz BJCDCJJKDLQFGV-OAHLLOKOSA-N 1 1 391.500 4.250 20 0 GIADMO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)c1 ZINC000182114144 822099536 /nfs/dbraw/zinc/09/95/36/822099536.db2.gz ATASJPZHDWNZLG-NSHDSACASA-N 1 1 381.831 4.134 20 0 GIADMO CCCC[N@H+](CCCO)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000182149886 822118901 /nfs/dbraw/zinc/11/89/01/822118901.db2.gz DCIOZFPAZLLRPA-UHFFFAOYSA-N 1 1 399.560 4.253 20 0 GIADMO CCCC[N@@H+](CCCO)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000182149886 822118909 /nfs/dbraw/zinc/11/89/09/822118909.db2.gz DCIOZFPAZLLRPA-UHFFFAOYSA-N 1 1 399.560 4.253 20 0 GIADMO CCCC[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(OC)cc1 ZINC000182156859 822121615 /nfs/dbraw/zinc/12/16/15/822121615.db2.gz SZGOANFXGQGORQ-SFHVURJKSA-N 1 1 395.459 4.495 20 0 GIADMO CC([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)(c1ccccc1)c1ccccc1 ZINC000182187771 822138766 /nfs/dbraw/zinc/13/87/66/822138766.db2.gz KSQUTNFWYSXWIZ-UHFFFAOYSA-N 1 1 389.886 4.401 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)co2)cc1 ZINC000182191794 822140168 /nfs/dbraw/zinc/14/01/68/822140168.db2.gz UXBBXCPFNSTBSI-HXUWFJFHSA-N 1 1 384.476 4.052 20 0 GIADMO COc1cc(Br)ccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000182206596 822146635 /nfs/dbraw/zinc/14/66/35/822146635.db2.gz XWRXIALYKBWUEF-GOSISDBHSA-N 1 1 398.341 4.008 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1)[C@H]1CCCO1 ZINC000182236068 822160492 /nfs/dbraw/zinc/16/04/92/822160492.db2.gz PYCFIEDTVDALPG-AZUAARDMSA-N 1 1 387.549 4.492 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000182244211 822164902 /nfs/dbraw/zinc/16/49/02/822164902.db2.gz PMGGIWNHSDXVGW-DNVCBOLYSA-N 1 1 376.903 4.287 20 0 GIADMO c1ccc(C2(NCC3(C[NH2+]C4(c5ccccc5)CCC4)COC3)CCC2)cc1 ZINC000182253663 822170382 /nfs/dbraw/zinc/17/03/82/822170382.db2.gz OZKNZIMWBSZULY-UHFFFAOYSA-N 1 1 376.544 4.341 20 0 GIADMO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000182258207 822172501 /nfs/dbraw/zinc/17/25/01/822172501.db2.gz GUQRGNQUAYMHQF-DQEYMECFSA-N 1 1 390.502 4.272 20 0 GIADMO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000182258207 822172507 /nfs/dbraw/zinc/17/25/07/822172507.db2.gz GUQRGNQUAYMHQF-DQEYMECFSA-N 1 1 390.502 4.272 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccccc2F)n1)[C@H]1CCCO1 ZINC000182361464 822215337 /nfs/dbraw/zinc/21/53/37/822215337.db2.gz FTTHADZWNOYCAH-FUHWJXTLSA-N 1 1 377.485 4.014 20 0 GIADMO COc1ccc([C@@H](CCO)[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)cc1 ZINC000182382372 822223215 /nfs/dbraw/zinc/22/32/15/822223215.db2.gz XWYRMQWIUISMOD-HXUWFJFHSA-N 1 1 385.895 4.056 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@@H](CCO)c3ccc(OC)cc3)cs2)cc1 ZINC000182387995 822225329 /nfs/dbraw/zinc/22/53/29/822225329.db2.gz JLVWABWLBCPJKH-NRFANRHFSA-N 1 1 398.528 4.431 20 0 GIADMO c1ccc([C@H](NCC2(C[NH2+][C@@H](c3ccccc3)C3CC3)COC2)C2CC2)cc1 ZINC000182458171 822249948 /nfs/dbraw/zinc/24/99/48/822249948.db2.gz QJSWLUPISGEMRD-ZEQRLZLVSA-N 1 1 376.544 4.485 20 0 GIADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000182458013 822250150 /nfs/dbraw/zinc/25/01/50/822250150.db2.gz QGLKQCQGBTZZGI-NQIIRXRSSA-N 1 1 399.485 4.180 20 0 GIADMO CC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(C)noc1C ZINC000182460490 822251045 /nfs/dbraw/zinc/25/10/45/822251045.db2.gz GVDNPHHTMVHATJ-HOTGVXAUSA-N 1 1 382.291 4.444 20 0 GIADMO COCCOc1ccc([C@@H](C)NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000177969036 822262316 /nfs/dbraw/zinc/26/23/16/822262316.db2.gz VDBLXMQRJBAPTC-HXUWFJFHSA-N 1 1 382.548 4.070 20 0 GIADMO COCCC[C@H](C)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000182495545 822266533 /nfs/dbraw/zinc/26/65/33/822266533.db2.gz KMRXCDFNJVEDRG-FXAWDEMLSA-N 1 1 386.561 4.026 20 0 GIADMO COCCC[C@H](C)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000182495545 822266541 /nfs/dbraw/zinc/26/65/41/822266541.db2.gz KMRXCDFNJVEDRG-FXAWDEMLSA-N 1 1 386.561 4.026 20 0 GIADMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O)c1c(C)noc1C ZINC000182500470 822270230 /nfs/dbraw/zinc/27/02/30/822270230.db2.gz JINUZGBROQJDST-WBMJQRKESA-N 1 1 383.448 4.308 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(Br)c(F)cc2Cl)C1 ZINC000177992592 822273573 /nfs/dbraw/zinc/27/35/73/822273573.db2.gz FRPOZBUJUXZHOU-SNVBAGLBSA-N 1 1 392.700 4.095 20 0 GIADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000177994547 822274641 /nfs/dbraw/zinc/27/46/41/822274641.db2.gz NIDCGMDQGSQWLU-NSHDSACASA-N 1 1 387.402 4.192 20 0 GIADMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000177994547 822274649 /nfs/dbraw/zinc/27/46/49/822274649.db2.gz NIDCGMDQGSQWLU-NSHDSACASA-N 1 1 387.402 4.192 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1)Nc1cccnc1Cl ZINC000177996697 822275511 /nfs/dbraw/zinc/27/55/11/822275511.db2.gz BHWKHLCYKCVKBO-MJGOQNOKSA-N 1 1 387.911 4.042 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1)Nc1cccnc1Cl ZINC000177996697 822275520 /nfs/dbraw/zinc/27/55/20/822275520.db2.gz BHWKHLCYKCVKBO-MJGOQNOKSA-N 1 1 387.911 4.042 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COc3ccccc3)c2C)C1 ZINC000178045646 822297817 /nfs/dbraw/zinc/29/78/17/822297817.db2.gz YMEPHBYLFXYJFZ-LJQANCHMSA-N 1 1 381.520 4.380 20 0 GIADMO Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](CNC(=O)c4ccccc4)C3)on2)cc1 ZINC000178050996 822300999 /nfs/dbraw/zinc/30/09/99/822300999.db2.gz HCSLHSZCVUYPSM-LJQANCHMSA-N 1 1 389.499 4.292 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000182565207 822305544 /nfs/dbraw/zinc/30/55/44/822305544.db2.gz OXGXWQNODAXTQQ-KRWDZBQOSA-N 1 1 387.549 4.019 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000182568855 822306883 /nfs/dbraw/zinc/30/68/83/822306883.db2.gz AHEAFFNACWUZHK-UHFFFAOYSA-N 1 1 375.538 4.264 20 0 GIADMO Cc1cccc(COc2ccc([C@H](C)[NH2+]Cc3nnnn3-c3ccccc3)cc2)c1 ZINC000178076443 822310630 /nfs/dbraw/zinc/31/06/30/822310630.db2.gz FVMSVKAABUFOSX-IBGZPJMESA-N 1 1 399.498 4.401 20 0 GIADMO O=C(Nc1cccc(OCc2ccccn2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178120028 822325525 /nfs/dbraw/zinc/32/55/25/822325525.db2.gz DKNRNKTXUGGMBH-GOSISDBHSA-N 1 1 379.504 4.254 20 0 GIADMO O=C(c1sc2cc(Cl)ccc2c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178120505 822325750 /nfs/dbraw/zinc/32/57/50/822325750.db2.gz VWJDZQWQCKUCGK-GFCCVEGCSA-N 1 1 399.343 4.002 20 0 GIADMO O=S1(=O)CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 ZINC000182671433 822345888 /nfs/dbraw/zinc/34/58/88/822345888.db2.gz WYIUILLTNOWXNS-YJBOKZPZSA-N 1 1 384.328 4.250 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1OC(F)(F)F ZINC000178200992 822350253 /nfs/dbraw/zinc/35/02/53/822350253.db2.gz JFULCBWNTDTTJY-VIFPVBQESA-N 1 1 392.299 4.292 20 0 GIADMO O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178200238 822350350 /nfs/dbraw/zinc/35/03/50/822350350.db2.gz QSBDCHGEARWWTN-ZDUSSCGKSA-N 1 1 388.405 4.360 20 0 GIADMO COC[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691922 822352669 /nfs/dbraw/zinc/35/26/69/822352669.db2.gz AMLPGDFNPVAXRX-MGPUTAFESA-N 1 1 380.504 4.216 20 0 GIADMO COC[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)c1ccc(F)c(F)c1 ZINC000182691922 822352677 /nfs/dbraw/zinc/35/26/77/822352677.db2.gz AMLPGDFNPVAXRX-MGPUTAFESA-N 1 1 380.504 4.216 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2nnc3ccccn32)cc1SC(F)(F)F ZINC000182712480 822357031 /nfs/dbraw/zinc/35/70/31/822357031.db2.gz VFGKQZMASGYEJM-NSHDSACASA-N 1 1 382.411 4.201 20 0 GIADMO C[C@H](N1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1)C(F)(F)F ZINC000178253514 822358972 /nfs/dbraw/zinc/35/89/72/822358972.db2.gz LKBBFOXPGWWVDK-PMUGQKEBSA-N 1 1 391.275 4.421 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3csc4ccccc34)CC2)C[C@H](C)O1 ZINC000178253953 822358980 /nfs/dbraw/zinc/35/89/80/822358980.db2.gz UZQHTEKHXZSRHJ-CALCHBBNSA-N 1 1 386.561 4.253 20 0 GIADMO CC(C)c1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1ccccc1 ZINC000045042609 822359377 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C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCc2cccnc2)CC1 ZINC000178991732 822427127 /nfs/dbraw/zinc/42/71/27/822427127.db2.gz OQTVDFJCSCZRSK-UHFFFAOYSA-N 1 1 377.454 4.239 20 0 GIADMO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2cccnc2)CC1 ZINC000178991732 822427128 /nfs/dbraw/zinc/42/71/28/822427128.db2.gz OQTVDFJCSCZRSK-UHFFFAOYSA-N 1 1 377.454 4.239 20 0 GIADMO C/C(=C\C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1OC(F)F ZINC000178994595 822427521 /nfs/dbraw/zinc/42/75/21/822427521.db2.gz GYWNWBGEGOTJQS-RRFVSPSMSA-N 1 1 390.474 4.167 20 0 GIADMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)C3=CCCC3)c2C1 ZINC000454087110 822427852 /nfs/dbraw/zinc/42/78/52/822427852.db2.gz MCHKKFBSVZNTRC-KRWDZBQOSA-N 1 1 397.563 4.238 20 0 GIADMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(-c2ccccn2)ccc1Cl ZINC000179002230 822428564 /nfs/dbraw/zinc/42/85/64/822428564.db2.gz CDQRRFAWOHPLTC-UHFFFAOYSA-N 1 1 391.902 4.190 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(-c2ccccn2)ccc1Cl ZINC000179002230 822428567 /nfs/dbraw/zinc/42/85/67/822428567.db2.gz CDQRRFAWOHPLTC-UHFFFAOYSA-N 1 1 391.902 4.190 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000183141368 822430112 /nfs/dbraw/zinc/43/01/12/822430112.db2.gz ABXPNENTQFYICX-BGJMQDAQSA-N 1 1 386.561 4.237 20 0 GIADMO Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c1 ZINC000454113146 822430653 /nfs/dbraw/zinc/43/06/53/822430653.db2.gz XMZDSPDFAJZNFQ-QZTJIDSGSA-N 1 1 393.531 4.171 20 0 GIADMO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000179049838 822433429 /nfs/dbraw/zinc/43/34/29/822433429.db2.gz QPCUWLZRFFKPTG-INIZCTEOSA-N 1 1 389.590 4.314 20 0 GIADMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000179049838 822433431 /nfs/dbraw/zinc/43/34/31/822433431.db2.gz QPCUWLZRFFKPTG-INIZCTEOSA-N 1 1 389.590 4.314 20 0 GIADMO c1nn(Cc2ccccn2)cc1N[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000183160917 822433520 /nfs/dbraw/zinc/43/35/20/822433520.db2.gz FFGJUNAOCNYTJU-ZTCOLXNVSA-N 1 1 387.531 4.039 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000046008504 822434009 /nfs/dbraw/zinc/43/40/09/822434009.db2.gz QYGVGWCREQSBCG-OAHLLOKOSA-N 1 1 387.446 4.404 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183168013 822434549 /nfs/dbraw/zinc/43/45/49/822434549.db2.gz JVWFZPKFJQPHLD-UHFFFAOYSA-N 1 1 390.409 4.211 20 0 GIADMO O=C(O[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccccn2)n1 ZINC000183168126 822434780 /nfs/dbraw/zinc/43/47/80/822434780.db2.gz FAUXHVZQUSWIHX-KRWDZBQOSA-N 1 1 379.485 4.027 20 0 GIADMO O=C(O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1csc(-c2ccccn2)n1 ZINC000183168148 822434783 /nfs/dbraw/zinc/43/47/83/822434783.db2.gz FAUXHVZQUSWIHX-QGZVFWFLSA-N 1 1 379.485 4.027 20 0 GIADMO O=C(c1cc(C2CC2)on1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000179076574 822435872 /nfs/dbraw/zinc/43/58/72/822435872.db2.gz ICOQMKPADXAZKM-UHFFFAOYSA-N 1 1 385.467 4.080 20 0 GIADMO Cc1sc2nc([C@@H](C)[NH2+][C@H](C)c3ccccc3-n3cccn3)nc(N)c2c1C ZINC000183176733 822436112 /nfs/dbraw/zinc/43/61/12/822436112.db2.gz LKPYCQDNZGQEBL-ZIAGYGMSSA-N 1 1 392.532 4.488 20 0 GIADMO COCc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000046031225 822436952 /nfs/dbraw/zinc/43/69/52/822436952.db2.gz UKGPSUZWIIANNE-SFHVURJKSA-N 1 1 381.520 4.387 20 0 GIADMO Cc1ccc(-c2ccsc2C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000046047311 822437921 /nfs/dbraw/zinc/43/79/21/822437921.db2.gz MHGOUECNXGTUPX-LJQANCHMSA-N 1 1 384.545 4.050 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000046060697 822438512 /nfs/dbraw/zinc/43/85/12/822438512.db2.gz JTQFUXXLCNWZBB-URXFXBBRSA-N 1 1 394.515 4.199 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2)cc1 ZINC000183197138 822439847 /nfs/dbraw/zinc/43/98/47/822439847.db2.gz PWAVWNUPZPSLIY-UTKZUKDTSA-N 1 1 399.560 4.049 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)s2)cc1 ZINC000183197471 822440006 /nfs/dbraw/zinc/44/00/06/822440006.db2.gz RPPOUJTULPKJJK-XLIONFOSSA-N 1 1 399.560 4.049 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)n1 ZINC000183202523 822440764 /nfs/dbraw/zinc/44/07/64/822440764.db2.gz JCZIYEAZVKOPIH-UHFFFAOYSA-N 1 1 382.411 4.456 20 0 GIADMO C[C@@H](CNC(=O)N1CC2(CCC2)[C@H]1c1ccco1)[N@@H+]1CCc2sccc2C1 ZINC000454241885 822442777 /nfs/dbraw/zinc/44/27/77/822442777.db2.gz CDQSLNIBOOCQRW-HNAYVOBHSA-N 1 1 385.533 4.025 20 0 GIADMO C[C@@H](CNC(=O)N1CC2(CCC2)[C@H]1c1ccco1)[N@H+]1CCc2sccc2C1 ZINC000454241885 822442781 /nfs/dbraw/zinc/44/27/81/822442781.db2.gz CDQSLNIBOOCQRW-HNAYVOBHSA-N 1 1 385.533 4.025 20 0 GIADMO CC[C@@H](CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)c1ccc(OC)cc1 ZINC000179149001 822443965 /nfs/dbraw/zinc/44/39/65/822443965.db2.gz ZPZSFVWVTPFQPM-IBGZPJMESA-N 1 1 395.547 4.360 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C)c3cccc(F)c3)CC[N@H+]2C2CC2)c1 ZINC000183231552 822444904 /nfs/dbraw/zinc/44/49/04/822444904.db2.gz NQYHXLOYYLBFDY-KBJGYGKASA-N 1 1 382.479 4.032 20 0 GIADMO CC(=O)Nc1cc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C ZINC000046156334 822445526 /nfs/dbraw/zinc/44/55/26/822445526.db2.gz MVSQCYYDIYSHRU-INIZCTEOSA-N 1 1 379.504 4.438 20 0 GIADMO COc1cc2nc(C[NH2+][C@H](CC(C)C)c3ccccc3C)[nH]c(=O)c2cc1OC ZINC000183241315 822446945 /nfs/dbraw/zinc/44/69/45/822446945.db2.gz ZQQGMFGGDPMTGP-GOSISDBHSA-N 1 1 395.503 4.126 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1cn(-c2ccccc2)nn1)C1CCCCC1 ZINC000046189393 822448435 /nfs/dbraw/zinc/44/84/35/822448435.db2.gz NZRJFUXZSNDYOT-UHFFFAOYSA-N 1 1 389.503 4.284 20 0 GIADMO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)cc1 ZINC000179196660 822449491 /nfs/dbraw/zinc/44/94/91/822449491.db2.gz ZSRUBEIDDTYAEM-LLVKDONJSA-N 1 1 382.327 4.351 20 0 GIADMO Cc1nnc(-c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000183272002 822451641 /nfs/dbraw/zinc/45/16/41/822451641.db2.gz WVFVBDXSGMMHEG-IBGZPJMESA-N 1 1 391.471 4.114 20 0 GIADMO C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)s1 ZINC000179212689 822452024 /nfs/dbraw/zinc/45/20/24/822452024.db2.gz CZNYLLVOSJSBQX-AWEZNQCLSA-N 1 1 394.382 4.468 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3coc4ccccc34)CC[N@H+]2C2CC2)c1 ZINC000183274439 822452070 /nfs/dbraw/zinc/45/20/70/822452070.db2.gz NHAYLUARZXQMCM-IRLDBZIGSA-N 1 1 376.456 4.149 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cnc2ccc(F)cc2c1 ZINC000179215310 822452616 /nfs/dbraw/zinc/45/26/16/822452616.db2.gz SKDKDBDVMFBMJP-UHFFFAOYSA-N 1 1 381.476 4.175 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)c3c(F)cccc3Cl)CC[N@H+]2C2CC2)c1 ZINC000183279231 822452868 /nfs/dbraw/zinc/45/28/68/822452868.db2.gz HXSUIESXLRIZNR-QUCCMNQESA-N 1 1 388.870 4.196 20 0 GIADMO COc1cccc([C@H](CN[C@@H](c2ccccc2)c2ccc(F)cn2)[NH+](C)C)c1 ZINC000183281092 822453035 /nfs/dbraw/zinc/45/30/35/822453035.db2.gz LHPKFZLVFFQADU-GOTSBHOMSA-N 1 1 379.479 4.211 20 0 GIADMO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ncc(Br)s2)N2CCCC2)o1 ZINC000179221744 822453357 /nfs/dbraw/zinc/45/33/57/822453357.db2.gz KCHGTQWTIHVJBC-CHWSQXEVSA-N 1 1 384.343 4.295 20 0 GIADMO C[C@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239072 822456109 /nfs/dbraw/zinc/45/61/09/822456109.db2.gz JCRSXXXZGQJDRN-YDHLFZDLSA-N 1 1 380.355 4.219 20 0 GIADMO C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179239072 822456112 /nfs/dbraw/zinc/45/61/12/822456112.db2.gz JCRSXXXZGQJDRN-YDHLFZDLSA-N 1 1 380.355 4.219 20 0 GIADMO O=C(OCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000179238766 822456120 /nfs/dbraw/zinc/45/61/20/822456120.db2.gz OGESVEJIAOYZOX-CQSZACIVSA-N 1 1 384.423 4.117 20 0 GIADMO Cc1cc(C)c(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000454311237 822456340 /nfs/dbraw/zinc/45/63/40/822456340.db2.gz KWTVELBNIMEIKV-IBGZPJMESA-N 1 1 380.536 4.072 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000183315327 822457804 /nfs/dbraw/zinc/45/78/04/822457804.db2.gz YWWXASWIIDWXHQ-LJQANCHMSA-N 1 1 396.531 4.075 20 0 GIADMO Cc1ccc(CN(C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C2CC2)o1 ZINC000046284511 822458101 /nfs/dbraw/zinc/45/81/01/822458101.db2.gz MDBUMXRQYNZLTB-QZTJIDSGSA-N 1 1 382.504 4.002 20 0 GIADMO Cc1ccc(CN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C2CC2)o1 ZINC000046284513 822458118 /nfs/dbraw/zinc/45/81/18/822458118.db2.gz MDBUMXRQYNZLTB-ROUUACIJSA-N 1 1 382.504 4.002 20 0 GIADMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179262471 822458678 /nfs/dbraw/zinc/45/86/78/822458678.db2.gz DEBMVFMDPZZCDC-MOXGXCLJSA-N 1 1 394.544 4.444 20 0 GIADMO COc1ccc(C[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 ZINC000179263348 822458742 /nfs/dbraw/zinc/45/87/42/822458742.db2.gz QOQTZSMOQLAZFW-CABCVRRESA-N 1 1 376.447 4.111 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)NCCC[C@H]1CCOC1)C1CCCCC1 ZINC000454359863 822461736 /nfs/dbraw/zinc/46/17/36/822461736.db2.gz ICWCDFTXMOYCKI-IBGZPJMESA-N 1 1 387.568 4.067 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCSc2ccccc2)C[C@H](C)O1 ZINC000046343908 822463818 /nfs/dbraw/zinc/46/38/18/822463818.db2.gz UTWRZZZKRAITNY-HDICACEKSA-N 1 1 384.545 4.417 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCSc2ccccc2)C[C@H](C)O1 ZINC000046343908 822463820 /nfs/dbraw/zinc/46/38/20/822463820.db2.gz UTWRZZZKRAITNY-HDICACEKSA-N 1 1 384.545 4.417 20 0 GIADMO CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183390730 822467520 /nfs/dbraw/zinc/46/75/20/822467520.db2.gz ZAQTZPAPUFGTIV-GOSISDBHSA-N 1 1 398.595 4.390 20 0 GIADMO Cc1csc([C@H](C)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000183407923 822469794 /nfs/dbraw/zinc/46/97/94/822469794.db2.gz RYNDETCUEZWNQC-MIJOPJBOSA-N 1 1 398.576 4.050 20 0 GIADMO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000183417090 822471384 /nfs/dbraw/zinc/47/13/84/822471384.db2.gz YOCIMEZOZQDDRJ-LJQANCHMSA-N 1 1 392.421 4.150 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC(c3nc4ccccc4o3)CC2)C1 ZINC000046427329 822472264 /nfs/dbraw/zinc/47/22/64/822472264.db2.gz XFWLRPZJNJIWEQ-HDICACEKSA-N 1 1 398.551 4.085 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2)C[C@H](C)O1 ZINC000046431917 822472397 /nfs/dbraw/zinc/47/23/97/822472397.db2.gz ATLPYXOOVQZDGA-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2)C[C@H](C)O1 ZINC000046431917 822472400 /nfs/dbraw/zinc/47/24/00/822472400.db2.gz ATLPYXOOVQZDGA-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2csc(-c3ccc(Br)cc3)n2)cnn1C ZINC000183433722 822474160 /nfs/dbraw/zinc/47/41/60/822474160.db2.gz HITWECQMXNAZJM-LLVKDONJSA-N 1 1 391.338 4.465 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000179399701 822477250 /nfs/dbraw/zinc/47/72/50/822477250.db2.gz OHCUJNJWIXTEBR-LJQANCHMSA-N 1 1 379.287 4.044 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000179399701 822477252 /nfs/dbraw/zinc/47/72/52/822477252.db2.gz OHCUJNJWIXTEBR-LJQANCHMSA-N 1 1 379.287 4.044 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1C(F)(F)F ZINC000179402042 822477508 /nfs/dbraw/zinc/47/75/08/822477508.db2.gz ZTARSXGKBZAPHX-LJQANCHMSA-N 1 1 392.421 4.150 20 0 GIADMO CC[C@H](C)N(CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000179401792 822477629 /nfs/dbraw/zinc/47/76/29/822477629.db2.gz BZGFDTMGOZAKST-HOTGVXAUSA-N 1 1 385.474 4.229 20 0 GIADMO COc1cc(C[N@@H+](C)CCC(=O)N2CCCCC2)ccc1OCc1ccccc1 ZINC000046503093 822479066 /nfs/dbraw/zinc/47/90/66/822479066.db2.gz DOLICGNBDWWSJR-UHFFFAOYSA-N 1 1 396.531 4.109 20 0 GIADMO COc1ccc(OC(C)C)c(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000183473921 822480900 /nfs/dbraw/zinc/48/09/00/822480900.db2.gz VRYXUFMDRUWZOI-SJORKVTESA-N 1 1 389.540 4.257 20 0 GIADMO O[C@H](C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1)c1ccco1 ZINC000179437882 822482684 /nfs/dbraw/zinc/48/26/84/822482684.db2.gz SMLWKGGZMXTDQH-HSZRJFAPSA-N 1 1 387.483 4.260 20 0 GIADMO Cc1ccnc(-c2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2)n1 ZINC000183483960 822483442 /nfs/dbraw/zinc/48/34/42/822483442.db2.gz JTQPKTAWGHTFAA-MJGOQNOKSA-N 1 1 393.535 4.227 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCC[C@]2(CCSC2)C1 ZINC000454491149 822483930 /nfs/dbraw/zinc/48/39/30/822483930.db2.gz SVFZRBLKKIHJOC-VYTWWXLVSA-N 1 1 399.604 4.111 20 0 GIADMO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179450091 822485036 /nfs/dbraw/zinc/48/50/36/822485036.db2.gz DDJNFANRHOFFNJ-KRWDZBQOSA-N 1 1 384.524 4.074 20 0 GIADMO CCOc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)ccc1OC ZINC000454498727 822485477 /nfs/dbraw/zinc/48/54/77/822485477.db2.gz HYDIZNRYTMYXQJ-GOSISDBHSA-N 1 1 397.519 4.080 20 0 GIADMO CCO[C@@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C[C@H]1C ZINC000454502421 822486034 /nfs/dbraw/zinc/48/60/34/822486034.db2.gz HNJFQFAZJDWWMX-YLJYHZDGSA-N 1 1 384.524 4.334 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183499877 822486475 /nfs/dbraw/zinc/48/64/75/822486475.db2.gz GZTJDKBUBZGNFH-OLZOCXBDSA-N 1 1 385.430 4.202 20 0 GIADMO COC[C@H]1CCCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000454504676 822486517 /nfs/dbraw/zinc/48/65/17/822486517.db2.gz JPBHBOYDARAYCH-SFHVURJKSA-N 1 1 384.524 4.335 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583553 822488448 /nfs/dbraw/zinc/48/84/48/822488448.db2.gz IFBBCTLQQPLTPA-UHFFFAOYSA-N 1 1 390.764 4.448 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583553 822488450 /nfs/dbraw/zinc/48/84/50/822488450.db2.gz IFBBCTLQQPLTPA-UHFFFAOYSA-N 1 1 390.764 4.448 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C4N=NC(=S)O4)cc3)c2C1 ZINC000183518533 822489086 /nfs/dbraw/zinc/48/90/86/822489086.db2.gz IDUGWWLCJKHDCU-UHFFFAOYSA-N 1 1 380.473 4.003 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C4N=NC(=S)O4)cc3)c2C1 ZINC000183518533 822489092 /nfs/dbraw/zinc/48/90/92/822489092.db2.gz IDUGWWLCJKHDCU-UHFFFAOYSA-N 1 1 380.473 4.003 20 0 GIADMO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1-c1ncco1 ZINC000183526856 822490011 /nfs/dbraw/zinc/49/00/11/822490011.db2.gz COZWGFLJUAZZTR-IRXDYDNUSA-N 1 1 382.508 4.425 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179497423 822491440 /nfs/dbraw/zinc/49/14/40/822491440.db2.gz CYMYLOSQRIDLDE-UHFFFAOYSA-N 1 1 378.476 4.372 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)C2CC2)n1 ZINC000183544266 822492594 /nfs/dbraw/zinc/49/25/94/822492594.db2.gz WROXKAWJGVDQRI-IAGOWNOFSA-N 1 1 377.579 4.457 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C2CC2)n1 ZINC000183543605 822492620 /nfs/dbraw/zinc/49/26/20/822492620.db2.gz QRASCBGOXSZXEJ-IBGZPJMESA-N 1 1 389.540 4.459 20 0 GIADMO C[C@@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1nccs1 ZINC000183552794 822493831 /nfs/dbraw/zinc/49/38/31/822493831.db2.gz SVSPPJFDQQVEPJ-KRWDZBQOSA-N 1 1 379.529 4.309 20 0 GIADMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cs2)cc1 ZINC000179513973 822494367 /nfs/dbraw/zinc/49/43/67/822494367.db2.gz JMNNVFKBCXCCGA-HNNXBMFYSA-N 1 1 383.496 4.324 20 0 GIADMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)cs2)cc1 ZINC000179513973 822494370 /nfs/dbraw/zinc/49/43/70/822494370.db2.gz JMNNVFKBCXCCGA-HNNXBMFYSA-N 1 1 383.496 4.324 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000179516533 822495027 /nfs/dbraw/zinc/49/50/27/822495027.db2.gz YXBHIIGGLGYBAO-MRXNPFEDSA-N 1 1 383.540 4.073 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000046643356 822497320 /nfs/dbraw/zinc/49/73/20/822497320.db2.gz DILXEBFASKCBTK-RTBURBONSA-N 1 1 396.531 4.013 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)c2cnc3ccc(F)cc3c2)[C@@H]1c1cccs1 ZINC000179550468 822501807 /nfs/dbraw/zinc/50/18/07/822501807.db2.gz MPVGJZRSGFDTHO-VBKZILBWSA-N 1 1 383.492 4.248 20 0 GIADMO O=C(OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ncccc1C(F)(F)F ZINC000183619151 822502093 /nfs/dbraw/zinc/50/20/93/822502093.db2.gz GUUARUBRYMETBA-MRXNPFEDSA-N 1 1 378.394 4.169 20 0 GIADMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(OCc3ccccn3)c1)CC2 ZINC000179553724 822502358 /nfs/dbraw/zinc/50/23/58/822502358.db2.gz GVDYVJODTBXXGO-UHFFFAOYSA-N 1 1 390.483 4.236 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(OCc3ccccn3)c1)CC2 ZINC000179553724 822502361 /nfs/dbraw/zinc/50/23/61/822502361.db2.gz GVDYVJODTBXXGO-UHFFFAOYSA-N 1 1 390.483 4.236 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cn(C)nc1-c1cccs1 ZINC000179567113 822504668 /nfs/dbraw/zinc/50/46/68/822504668.db2.gz BGRYXWIEFBQDPK-UHFFFAOYSA-N 1 1 382.533 4.308 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cn(C)nc1-c1cccs1 ZINC000179567113 822504673 /nfs/dbraw/zinc/50/46/73/822504673.db2.gz BGRYXWIEFBQDPK-UHFFFAOYSA-N 1 1 382.533 4.308 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000179573585 822505712 /nfs/dbraw/zinc/50/57/12/822505712.db2.gz WZGUZCOTOGDMSY-JLTOFOAXSA-N 1 1 392.507 4.128 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(COC4CCCCC4)c3)C2)C1 ZINC000454612601 822506213 /nfs/dbraw/zinc/50/62/13/822506213.db2.gz XQGKSRWILUXSBO-HSZRJFAPSA-N 1 1 385.552 4.486 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183654417 822506518 /nfs/dbraw/zinc/50/65/18/822506518.db2.gz NACPSAJOHDWNRH-ZIAGYGMSSA-N 1 1 399.457 4.244 20 0 GIADMO COc1cc(-c2noc(C[NH2+]C(C)(C)c3cccc(C)c3)n2)cc(OC)c1OC ZINC000179586007 822507219 /nfs/dbraw/zinc/50/72/19/822507219.db2.gz SWFOYCQLSCHDOP-UHFFFAOYSA-N 1 1 397.475 4.096 20 0 GIADMO O=C(Cc1cccs1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046724049 822509979 /nfs/dbraw/zinc/50/99/79/822509979.db2.gz HVZZPUQBCDLPAZ-IBGZPJMESA-N 1 1 382.554 4.268 20 0 GIADMO O=C(Cc1cccs1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046724049 822509983 /nfs/dbraw/zinc/50/99/83/822509983.db2.gz HVZZPUQBCDLPAZ-IBGZPJMESA-N 1 1 382.554 4.268 20 0 GIADMO CC[C@@H](CNc1ccccc1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000454635336 822510023 /nfs/dbraw/zinc/51/00/23/822510023.db2.gz WYMMOZWRGAYFCO-IBGZPJMESA-N 1 1 398.576 4.248 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(NC(C)=O)cc1 ZINC000179605491 822511312 /nfs/dbraw/zinc/51/13/12/822511312.db2.gz ZEWCNAVRQQZMKD-UHFFFAOYSA-N 1 1 393.409 4.124 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(NC(C)=O)cc1 ZINC000179605491 822511315 /nfs/dbraw/zinc/51/13/15/822511315.db2.gz ZEWCNAVRQQZMKD-UHFFFAOYSA-N 1 1 393.409 4.124 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1=Cc2ccccc2OC1 ZINC000179605607 822511380 /nfs/dbraw/zinc/51/13/80/822511380.db2.gz AOUPJYAHDYQMCJ-UHFFFAOYSA-N 1 1 390.405 4.442 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1=Cc2ccccc2OC1 ZINC000179605607 822511384 /nfs/dbraw/zinc/51/13/84/822511384.db2.gz AOUPJYAHDYQMCJ-UHFFFAOYSA-N 1 1 390.405 4.442 20 0 GIADMO Clc1ccc(C2([NH2+]Cc3cn(Cc4cccnc4)nn3)CCCCC2)cc1 ZINC000183688527 822511637 /nfs/dbraw/zinc/51/16/37/822511637.db2.gz DZQWSLMLZAQNRZ-UHFFFAOYSA-N 1 1 381.911 4.324 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CCO)C(C)(C)C)cs1)c1ccc(C)c(C)c1 ZINC000183690191 822512143 /nfs/dbraw/zinc/51/21/43/822512143.db2.gz CETUIZXEOLPYST-IBGZPJMESA-N 1 1 389.565 4.331 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)Cc1ccccc1Br ZINC000046751303 822512795 /nfs/dbraw/zinc/51/27/95/822512795.db2.gz JAKXKLCAJDWTJC-INIZCTEOSA-N 1 1 396.373 4.245 20 0 GIADMO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3ccc(OC(F)F)cc3)nc(=O)c2c1C ZINC000179614474 822513122 /nfs/dbraw/zinc/51/31/22/822513122.db2.gz WNCQGMWQFGITSM-JTQLQIEISA-N 1 1 379.432 4.054 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(CSc4ccccn4)c3)C2)C1 ZINC000454657105 822513109 /nfs/dbraw/zinc/51/31/09/822513109.db2.gz FNYYBEYAECYGNR-JOCHJYFZSA-N 1 1 396.560 4.324 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(F)cc1F ZINC000179623849 822514783 /nfs/dbraw/zinc/51/47/83/822514783.db2.gz XFGWXDAOGVVZAO-HNNXBMFYSA-N 1 1 398.837 4.315 20 0 GIADMO CCS[C@H](C)c1noc(C[NH2+][C@@](C)(CC)COc2ncccc2Cl)n1 ZINC000179628709 822515710 /nfs/dbraw/zinc/51/57/10/822515710.db2.gz PGWRWKYHAWVKAD-PXAZEXFGSA-N 1 1 384.933 4.269 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000179640381 822518168 /nfs/dbraw/zinc/51/81/68/822518168.db2.gz YERQLOODQHXVIN-UHFFFAOYSA-N 1 1 390.487 4.347 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1 ZINC000179659836 822522144 /nfs/dbraw/zinc/52/21/44/822522144.db2.gz IEIODQORLLGDSL-UHFFFAOYSA-N 1 1 397.482 4.356 20 0 GIADMO CCN(Cc1csc(-c2ccccn2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183756701 822523038 /nfs/dbraw/zinc/52/30/38/822523038.db2.gz ZHDVFSJXQUNBJM-FQEVSTJZSA-N 1 1 378.545 4.302 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(F)ccc3C)CC[N@H+]2C2CC2)c1 ZINC000183762787 822524203 /nfs/dbraw/zinc/52/42/03/822524203.db2.gz XKVUHHHGZSVGFQ-PZJWPPBQSA-N 1 1 383.467 4.242 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000183764012 822524755 /nfs/dbraw/zinc/52/47/55/822524755.db2.gz PLCHBOLEBYTJFF-MNOVXSKESA-N 1 1 383.241 4.445 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)cc1Cl ZINC000183780466 822527661 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381.476 4.145 20 0 GIADMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000179702693 822530746 /nfs/dbraw/zinc/53/07/46/822530746.db2.gz KWQYYRASXXNXDQ-GOSISDBHSA-N 1 1 381.476 4.145 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]2c2cccn2C)c1 ZINC000179705107 822531567 /nfs/dbraw/zinc/53/15/67/822531567.db2.gz XSPHKAOPAYOHQU-JOCHJYFZSA-N 1 1 377.488 4.345 20 0 GIADMO Cc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1C ZINC000454775672 822531792 /nfs/dbraw/zinc/53/17/92/822531792.db2.gz QUVREOKKTPPUJC-LJQANCHMSA-N 1 1 381.520 4.361 20 0 GIADMO Cc1nn(C)c2sc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc12 ZINC000046934578 822532616 /nfs/dbraw/zinc/53/26/16/822532616.db2.gz YCRJIKNCAPRZRK-AWEZNQCLSA-N 1 1 382.533 4.427 20 0 GIADMO C[C@H](CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)NC(=O)c1ccccc1 ZINC000046934410 822532646 /nfs/dbraw/zinc/53/26/46/822532646.db2.gz UPKRQCPCDATQHT-RTBURBONSA-N 1 1 393.531 4.066 20 0 GIADMO C[C@H](NC(=O)NC[C@@H]1CSc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454780555 822532768 /nfs/dbraw/zinc/53/27/68/822532768.db2.gz XRDFCQZSEOJJAX-YSIASYRMSA-N 1 1 395.572 4.086 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454781139 822532982 /nfs/dbraw/zinc/53/29/82/822532982.db2.gz XUDQQAGMTTVPKZ-REWPJTCUSA-N 1 1 379.548 4.090 20 0 GIADMO C[C@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000047004706 822537099 /nfs/dbraw/zinc/53/70/99/822537099.db2.gz PGSYMZJLMSIROY-GOSISDBHSA-N 1 1 393.487 4.031 20 0 GIADMO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000047004704 822537144 /nfs/dbraw/zinc/53/71/44/822537144.db2.gz PGSYMZJLMSIROY-SFHVURJKSA-N 1 1 393.487 4.031 20 0 GIADMO Cc1nc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)oc1-c1ccc(Cl)cc1 ZINC000183877447 822539332 /nfs/dbraw/zinc/53/93/32/822539332.db2.gz CDTNWZVGJDBYDD-MRXNPFEDSA-N 1 1 376.884 4.278 20 0 GIADMO CCc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000183882591 822540281 /nfs/dbraw/zinc/54/02/81/822540281.db2.gz IUQLNUPPSQYOPJ-HSZRJFAPSA-N 1 1 395.547 4.329 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000179740975 822540348 /nfs/dbraw/zinc/54/03/48/822540348.db2.gz WVOVQRXTHYSVST-SFHVURJKSA-N 1 1 397.519 4.007 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCCC(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454825138 822541347 /nfs/dbraw/zinc/54/13/47/822541347.db2.gz ZYKDMGMUUAVOBE-JKSUJKDBSA-N 1 1 391.865 4.347 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)NCCC(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454825138 822541350 /nfs/dbraw/zinc/54/13/50/822541350.db2.gz ZYKDMGMUUAVOBE-JKSUJKDBSA-N 1 1 391.865 4.347 20 0 GIADMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1O ZINC000179749216 822542231 /nfs/dbraw/zinc/54/22/31/822542231.db2.gz SLKKHFBAMUJMDZ-FQEVSTJZSA-N 1 1 387.863 4.260 20 0 GIADMO COc1ccccc1COC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000179758689 822544683 /nfs/dbraw/zinc/54/46/83/822544683.db2.gz PEMWEJNIBLKURB-UHFFFAOYSA-N 1 1 396.531 4.438 20 0 GIADMO COc1ccc(-c2cnc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)o2)cc1 ZINC000179761012 822545617 /nfs/dbraw/zinc/54/56/17/822545617.db2.gz ZVMHSKGMZIWOLE-QHCPKHFHSA-N 1 1 392.455 4.362 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)C1 ZINC000454854141 822546234 /nfs/dbraw/zinc/54/62/34/822546234.db2.gz LRDUJINEYRDZRX-JTQLQIEISA-N 1 1 381.851 4.068 20 0 GIADMO C[N@H+](Cc1ccc(CSC(F)F)o1)Cc1ccccc1N1CCOCC1 ZINC000179762995 822546266 /nfs/dbraw/zinc/54/62/66/822546266.db2.gz LRRVQMQOABSHSJ-UHFFFAOYSA-N 1 1 382.476 4.204 20 0 GIADMO C[N@@H+](Cc1ccc(CSC(F)F)o1)Cc1ccccc1N1CCOCC1 ZINC000179762995 822546269 /nfs/dbraw/zinc/54/62/69/822546269.db2.gz LRRVQMQOABSHSJ-UHFFFAOYSA-N 1 1 382.476 4.204 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)s1 ZINC000183921012 822546853 /nfs/dbraw/zinc/54/68/53/822546853.db2.gz AIYBOLWEGLMLON-LBPRGKRZSA-N 1 1 396.354 4.374 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3cccc4c3C[N@@H+](CC(C)C)C4)CC2)nc1 ZINC000179767655 822548244 /nfs/dbraw/zinc/54/82/44/822548244.db2.gz NYQFHYFAUHBQHN-UHFFFAOYSA-N 1 1 392.547 4.217 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000047174373 822551109 /nfs/dbraw/zinc/55/11/09/822551109.db2.gz GFDXFXPFEPHAML-UHFFFAOYSA-N 1 1 392.390 4.139 20 0 GIADMO Fc1ccc(C(F)(F)F)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179779959 822551502 /nfs/dbraw/zinc/55/15/02/822551502.db2.gz RWVYKUFOJGKLQV-CYBMUJFWSA-N 1 1 378.373 4.267 20 0 GIADMO Fc1ccc(C(F)(F)F)cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179779959 822551505 /nfs/dbraw/zinc/55/15/05/822551505.db2.gz RWVYKUFOJGKLQV-CYBMUJFWSA-N 1 1 378.373 4.267 20 0 GIADMO CCOCc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC000454892459 822551853 /nfs/dbraw/zinc/55/18/53/822551853.db2.gz UITCDEVMQSDRCR-LJQANCHMSA-N 1 1 381.520 4.209 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000047187853 822552459 /nfs/dbraw/zinc/55/24/59/822552459.db2.gz RFTRRCAZTLDCMR-LJQANCHMSA-N 1 1 383.536 4.293 20 0 GIADMO COc1ccc(CC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000047190862 822552759 /nfs/dbraw/zinc/55/27/59/822552759.db2.gz JPFKQOBSEXRIEC-QGZVFWFLSA-N 1 1 382.504 4.259 20 0 GIADMO CC(C)Cc1ccc([C@@H]([NH2+]Cc2csc(CS(C)(=O)=O)n2)C2CC2)cc1 ZINC000179794673 822554432 /nfs/dbraw/zinc/55/44/32/822554432.db2.gz RYNBDRDNGUCPAF-HXUWFJFHSA-N 1 1 392.590 4.127 20 0 GIADMO CCC(=O)N1CCC[C@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000047209925 822554575 /nfs/dbraw/zinc/55/45/75/822554575.db2.gz HOLVFNZXQQPHNS-IBGZPJMESA-N 1 1 385.552 4.038 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)s1 ZINC000183979790 822557326 /nfs/dbraw/zinc/55/73/26/822557326.db2.gz YQIOAHZZWMRCOU-CQSZACIVSA-N 1 1 383.439 4.101 20 0 GIADMO O=C(Cc1ccc(O)cc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000179816315 822558732 /nfs/dbraw/zinc/55/87/32/822558732.db2.gz NPLKFARYGXJNKX-UHFFFAOYSA-N 1 1 393.314 4.022 20 0 GIADMO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000454932256 822559217 /nfs/dbraw/zinc/55/92/17/822559217.db2.gz WPKHORCDLXIIIO-UAZXPBDKSA-N 1 1 375.944 4.352 20 0 GIADMO Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000183992415 822559524 /nfs/dbraw/zinc/55/95/24/822559524.db2.gz WLUXLNFTAFBWQE-QFIPXVFZSA-N 1 1 395.547 4.009 20 0 GIADMO CC(C)[C@H]([NH2+]CCOc1ccc(OC(F)(F)F)cc1)c1nc(C2CC2)no1 ZINC000179821999 822559802 /nfs/dbraw/zinc/55/98/02/822559802.db2.gz PFABBEDWAKDKOK-HNNXBMFYSA-N 1 1 385.386 4.211 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000047262499 822559844 /nfs/dbraw/zinc/55/98/44/822559844.db2.gz SUAMXYMVOWARKS-UHFFFAOYSA-N 1 1 382.266 4.378 20 0 GIADMO C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccnc1)C1CCCCC1 ZINC000454937325 822560152 /nfs/dbraw/zinc/56/01/52/822560152.db2.gz BLRXZEGGRLOXTH-XZOQPEGZSA-N 1 1 377.532 4.266 20 0 GIADMO C[C@@H]([NH2+]Cc1noc(C2CCOCC2)n1)C(c1ccccc1)c1ccccc1 ZINC000184002869 822561809 /nfs/dbraw/zinc/56/18/09/822561809.db2.gz KGJKEXIZNYSKEJ-QGZVFWFLSA-N 1 1 377.488 4.274 20 0 GIADMO CC(C)[C@H]([NH2+]CCOc1ccccc1Br)c1nc(C2CC2)no1 ZINC000179830645 822561867 /nfs/dbraw/zinc/56/18/67/822561867.db2.gz GKXOWDSIZROQPE-HNNXBMFYSA-N 1 1 380.286 4.075 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1nccs1 ZINC000184007482 822562898 /nfs/dbraw/zinc/56/28/98/822562898.db2.gz DTPBAKVIKNQEBU-SNVBAGLBSA-N 1 1 389.855 4.072 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1nccs1 ZINC000184007482 822562900 /nfs/dbraw/zinc/56/29/00/822562900.db2.gz DTPBAKVIKNQEBU-SNVBAGLBSA-N 1 1 389.855 4.072 20 0 GIADMO C[C@@H](C[N@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1nccs1 ZINC000184011196 822563320 /nfs/dbraw/zinc/56/33/20/822563320.db2.gz DLDHSIUTFUXHEF-NSHDSACASA-N 1 1 382.320 4.266 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1nccs1 ZINC000184011196 822563322 /nfs/dbraw/zinc/56/33/22/822563322.db2.gz DLDHSIUTFUXHEF-NSHDSACASA-N 1 1 382.320 4.266 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1 ZINC000184012684 822563788 /nfs/dbraw/zinc/56/37/88/822563788.db2.gz LTQLARNILUGMTI-SNVBAGLBSA-N 1 1 391.846 4.489 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1nccs1 ZINC000184012684 822563791 /nfs/dbraw/zinc/56/37/91/822563791.db2.gz LTQLARNILUGMTI-SNVBAGLBSA-N 1 1 391.846 4.489 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCc2ccc3[nH]ccc3c2)C[C@H](C)O1 ZINC000179847854 822565588 /nfs/dbraw/zinc/56/55/88/822565588.db2.gz KJKNPPHXUNJGAY-ROUUACIJSA-N 1 1 391.515 4.348 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCc1nc(C2CC2)no1)C1CCCCC1 ZINC000047351538 822569912 /nfs/dbraw/zinc/56/99/12/822569912.db2.gz KDLDEFRUOYRBLS-UHFFFAOYSA-N 1 1 383.496 4.033 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000184058486 822572525 /nfs/dbraw/zinc/57/25/25/822572525.db2.gz GJTMDYFTDWSFTG-AWEZNQCLSA-N 1 1 379.476 4.035 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCc2ccc3ccccc3c2)cn1 ZINC000179904433 822574391 /nfs/dbraw/zinc/57/43/91/822574391.db2.gz SZZYRWWISDMSJU-UHFFFAOYSA-N 1 1 384.483 4.368 20 0 GIADMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083839 822575630 /nfs/dbraw/zinc/57/56/30/822575630.db2.gz OCOIIWWHVQGIEA-STXHMFSFSA-N 1 1 384.395 4.276 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000179925446 822578165 /nfs/dbraw/zinc/57/81/65/822578165.db2.gz NNEVTNCPBFSRKP-KRWDZBQOSA-N 1 1 387.491 4.204 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000179925061 822578186 /nfs/dbraw/zinc/57/81/86/822578186.db2.gz JZKVXJTXBLYINB-JTQLQIEISA-N 1 1 399.235 4.025 20 0 GIADMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c2ccc(F)cc2n1 ZINC000047431283 822578618 /nfs/dbraw/zinc/57/86/18/822578618.db2.gz CCLTVNVQWMQZGB-UHFFFAOYSA-N 1 1 395.453 4.170 20 0 GIADMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c2ccc(F)cc2n1 ZINC000047431283 822578622 /nfs/dbraw/zinc/57/86/22/822578622.db2.gz CCLTVNVQWMQZGB-UHFFFAOYSA-N 1 1 395.453 4.170 20 0 GIADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000184105527 822578931 /nfs/dbraw/zinc/57/89/31/822578931.db2.gz URGIGJRAAJVSLR-BBRMVZONSA-N 1 1 378.925 4.030 20 0 GIADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000184106891 822578967 /nfs/dbraw/zinc/57/89/67/822578967.db2.gz BXOCXSBXQHLDBV-QAPCUYQASA-N 1 1 388.895 4.095 20 0 GIADMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000179931794 822579343 /nfs/dbraw/zinc/57/93/43/822579343.db2.gz LQKAMMGKUNIOOH-AWEZNQCLSA-N 1 1 387.749 4.231 20 0 GIADMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000179931794 822579345 /nfs/dbraw/zinc/57/93/45/822579345.db2.gz LQKAMMGKUNIOOH-AWEZNQCLSA-N 1 1 387.749 4.231 20 0 GIADMO CCCN(CCc1cccs1)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000184117912 822580984 /nfs/dbraw/zinc/58/09/84/822580984.db2.gz GLGPSGIWAQBLAE-UHFFFAOYSA-N 1 1 386.565 4.085 20 0 GIADMO COc1ccc2cc(C[N@H+](C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2c1 ZINC000179939120 822580992 /nfs/dbraw/zinc/58/09/92/822580992.db2.gz MGHVSARKKRLCBI-INIZCTEOSA-N 1 1 383.513 4.445 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2c1 ZINC000179939120 822580996 /nfs/dbraw/zinc/58/09/96/822580996.db2.gz MGHVSARKKRLCBI-INIZCTEOSA-N 1 1 383.513 4.445 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000184129196 822583232 /nfs/dbraw/zinc/58/32/32/822583232.db2.gz VJHVBJQDXUJXHY-UHFFFAOYSA-N 1 1 394.519 4.364 20 0 GIADMO Cc1cnn(-c2ccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2F)c1 ZINC000179956951 822585471 /nfs/dbraw/zinc/58/54/71/822585471.db2.gz RBNIUAIKSXLHIW-LAUBAEHRSA-N 1 1 379.483 4.037 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000047522522 822586952 /nfs/dbraw/zinc/58/69/52/822586952.db2.gz XHXHIXWGRYMPBD-MGPUTAFESA-N 1 1 395.478 4.265 20 0 GIADMO CC(C)[N@@H+](Cc1ccc(NC(=O)NCC[C@H](C)F)cc1)C[C@@H]1CCCCO1 ZINC000455082966 822586938 /nfs/dbraw/zinc/58/69/38/822586938.db2.gz ZEWYQBGTGMJZBJ-PXNSSMCTSA-N 1 1 379.520 4.336 20 0 GIADMO Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)cc12 ZINC000047544989 822589205 /nfs/dbraw/zinc/58/92/05/822589205.db2.gz CRMVUGGFOWZURB-HNNXBMFYSA-N 1 1 391.519 4.212 20 0 GIADMO CC(F)(F)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000455117064 822591277 /nfs/dbraw/zinc/59/12/77/822591277.db2.gz KIWCWOMTRZRCII-UHFFFAOYSA-N 1 1 394.293 4.302 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccccc1N1CCc2sccc2C1 ZINC000047563411 822591475 /nfs/dbraw/zinc/59/14/75/822591475.db2.gz NXQLQSOTNQJTBO-UHFFFAOYSA-N 1 1 395.532 4.028 20 0 GIADMO CCOc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)ccc1OC ZINC000047581975 822593315 /nfs/dbraw/zinc/59/33/15/822593315.db2.gz DMYAKJWZVCLXCZ-UHFFFAOYSA-N 1 1 397.519 4.142 20 0 GIADMO COc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1OC(C)C ZINC000184210421 822596708 /nfs/dbraw/zinc/59/67/08/822596708.db2.gz WNOQFNAVAAVFAS-QGZVFWFLSA-N 1 1 377.529 4.259 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1nc2ccc(Cl)cc2n1C ZINC000180016810 822597256 /nfs/dbraw/zinc/59/72/56/822597256.db2.gz QZMGIYSXMHVRAT-LLVKDONJSA-N 1 1 398.816 4.414 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1c[nH]c2ccccc12 ZINC000047621280 822597594 /nfs/dbraw/zinc/59/75/94/822597594.db2.gz CATWNVRGLCEGDR-UHFFFAOYSA-N 1 1 378.520 4.050 20 0 GIADMO Cn1cc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c(-c2cccnc2)n1 ZINC000180032029 822601284 /nfs/dbraw/zinc/60/12/84/822601284.db2.gz KOPBUACNLUNPJC-UHFFFAOYSA-N 1 1 397.320 4.409 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c2ccccc2)cc1 ZINC000180060685 822606420 /nfs/dbraw/zinc/60/64/20/822606420.db2.gz KLOHCRRLRDSXNQ-RUZDIDTESA-N 1 1 386.543 4.021 20 0 GIADMO COCCOc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(C)c1 ZINC000047762611 822607311 /nfs/dbraw/zinc/60/73/11/822607311.db2.gz ASDRRKMYKSNANR-UHFFFAOYSA-N 1 1 399.535 4.182 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)C1CC1 ZINC000455211772 822609708 /nfs/dbraw/zinc/60/97/08/822609708.db2.gz SNYZHEXEQQFPIH-HNNXBMFYSA-N 1 1 377.838 4.117 20 0 GIADMO O=S(=O)(c1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1)N1CCCC1 ZINC000047822233 822612786 /nfs/dbraw/zinc/61/27/86/822612786.db2.gz KBHQWMUAZVFPOU-UHFFFAOYSA-N 1 1 399.343 4.068 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000455239462 822615248 /nfs/dbraw/zinc/61/52/48/822615248.db2.gz BFCJOKGKGMIYGE-UHFFFAOYSA-N 1 1 388.600 4.300 20 0 GIADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000184330740 822616585 /nfs/dbraw/zinc/61/65/85/822616585.db2.gz NIBDNHOWDHYHLU-DLBZAZTESA-N 1 1 378.944 4.320 20 0 GIADMO O=C(Nc1ccc(Cl)c(OC(F)F)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000180110267 822617470 /nfs/dbraw/zinc/61/74/70/822617470.db2.gz DJXSIAGDDFEPEK-UHFFFAOYSA-N 1 1 387.858 4.424 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(SC)cc1)[NH+](C)C ZINC000047914697 822619095 /nfs/dbraw/zinc/61/90/95/822619095.db2.gz GKLSGPKFHRFMPA-BEFAXECRSA-N 1 1 387.549 4.080 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1cc(C)sc1C)[NH+](C)C ZINC000047914556 822619143 /nfs/dbraw/zinc/61/91/43/822619143.db2.gz LWILHIILVIATDS-KBXCAEBGSA-N 1 1 375.538 4.037 20 0 GIADMO CC(C)[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124154 822620296 /nfs/dbraw/zinc/62/02/96/822620296.db2.gz GAKHOFDLNDYANC-UZLBHIALSA-N 1 1 384.486 4.493 20 0 GIADMO CC(C)[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124154 822620298 /nfs/dbraw/zinc/62/02/98/822620298.db2.gz GAKHOFDLNDYANC-UZLBHIALSA-N 1 1 384.486 4.493 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 ZINC000184379303 822624995 /nfs/dbraw/zinc/62/49/95/822624995.db2.gz CWMYNCSLGICWSH-UHFFFAOYSA-N 1 1 398.841 4.162 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)c1nc(C)cs1 ZINC000184387288 822626372 /nfs/dbraw/zinc/62/63/72/822626372.db2.gz MPFXYDUKMVGKEJ-FQEVSTJZSA-N 1 1 397.544 4.313 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)c1nc(C)cs1 ZINC000184387305 822626469 /nfs/dbraw/zinc/62/64/69/822626469.db2.gz MPFXYDUKMVGKEJ-HXUWFJFHSA-N 1 1 397.544 4.313 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000048056364 822627893 /nfs/dbraw/zinc/62/78/93/822627893.db2.gz SACXDEMXTVJCQL-UHFFFAOYSA-N 1 1 387.524 4.312 20 0 GIADMO O=C(COc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCCC1 ZINC000180155280 822628666 /nfs/dbraw/zinc/62/86/66/822628666.db2.gz YAYREQSVLLGUEK-OAQYLSRUSA-N 1 1 382.479 4.164 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180162771 822630210 /nfs/dbraw/zinc/63/02/10/822630210.db2.gz QRSXYZNGLXPQRE-OTYNDTSQSA-N 1 1 379.552 4.022 20 0 GIADMO Cn1cc([C@H](NC2CC[NH+](Cc3ccc(F)cc3)CC2)c2cccc(F)c2)cn1 ZINC000180165915 822630762 /nfs/dbraw/zinc/63/07/62/822630762.db2.gz IRBMAJNNZWAJIB-HSZRJFAPSA-N 1 1 396.485 4.042 20 0 GIADMO Cc1c(-c2cc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)on2)cnn1C ZINC000184419960 822631774 /nfs/dbraw/zinc/63/17/74/822631774.db2.gz VYQAYDIGFUUFHU-SFHVURJKSA-N 1 1 379.489 4.330 20 0 GIADMO Cc1c(-c2cc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)on2)cnn1C ZINC000184419960 822631777 /nfs/dbraw/zinc/63/17/77/822631777.db2.gz VYQAYDIGFUUFHU-SFHVURJKSA-N 1 1 379.489 4.330 20 0 GIADMO Brc1cccc2c1CC[C@H]2NCC1([NH+]2CCCCC2)CCOCC1 ZINC000180172256 822632186 /nfs/dbraw/zinc/63/21/86/822632186.db2.gz BWEMPTSKZQWRBM-LJQANCHMSA-N 1 1 393.369 4.061 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C(C)(Cl)Cl)CC1 ZINC000180181855 822633995 /nfs/dbraw/zinc/63/39/95/822633995.db2.gz DGGVGLRNMZOBGF-UHFFFAOYSA-N 1 1 397.268 4.322 20 0 GIADMO O=C(NCc1ccc(C(F)F)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000184446285 822636639 /nfs/dbraw/zinc/63/66/39/822636639.db2.gz FYWWLAOXWIMOKE-UHFFFAOYSA-N 1 1 391.437 4.181 20 0 GIADMO O=C(NCc1ccc(C(F)F)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000184446285 822636640 /nfs/dbraw/zinc/63/66/40/822636640.db2.gz FYWWLAOXWIMOKE-UHFFFAOYSA-N 1 1 391.437 4.181 20 0 GIADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(OC(C)(C)C)CC2)CCC1 ZINC000455338524 822636697 /nfs/dbraw/zinc/63/66/97/822636697.db2.gz TVJCSLPJQVOYDF-UHFFFAOYSA-N 1 1 387.568 4.030 20 0 GIADMO CC[C@@H](c1ccncc1)N(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000455343292 822637525 /nfs/dbraw/zinc/63/75/25/822637525.db2.gz ZGCOHWJGVVXAGD-NRFANRHFSA-N 1 1 380.536 4.229 20 0 GIADMO Cn1cncc1C[NH2+][C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000180207502 822639598 /nfs/dbraw/zinc/63/95/98/822639598.db2.gz MLOQTULETVKXOU-LJQANCHMSA-N 1 1 393.384 4.488 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1nc2ccc(Cl)cc2n1C ZINC000180209743 822639985 /nfs/dbraw/zinc/63/99/85/822639985.db2.gz VENOEMSUQKQAGP-BEFAXECRSA-N 1 1 396.922 4.069 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N(C)Cc1cccc(F)c1 ZINC000184472226 822642033 /nfs/dbraw/zinc/64/20/33/822642033.db2.gz YJNPVGXFEHHKHY-UONOGXRCSA-N 1 1 377.529 4.277 20 0 GIADMO COC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000180234093 822645216 /nfs/dbraw/zinc/64/52/16/822645216.db2.gz RJIVPWHGNMCTGE-SJCJKPOMSA-N 1 1 381.419 4.029 20 0 GIADMO CCCc1c(NC(=O)N(C)CCCn2cc[nH+]c2C)cnn1-c1cccc(F)c1 ZINC000184521630 822650161 /nfs/dbraw/zinc/65/01/61/822650161.db2.gz RMVCDUWNWKNEKV-UHFFFAOYSA-N 1 1 398.486 4.023 20 0 GIADMO CCC[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCO1 ZINC000180261800 822650207 /nfs/dbraw/zinc/65/02/07/822650207.db2.gz NQYQOXHBEDOBRH-RXVVDRJESA-N 1 1 384.520 4.123 20 0 GIADMO CCC[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCO1 ZINC000180261800 822650211 /nfs/dbraw/zinc/65/02/11/822650211.db2.gz NQYQOXHBEDOBRH-RXVVDRJESA-N 1 1 384.520 4.123 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@H+](Cc3ccccn3)C(C)C)ccc2c1 ZINC000048273528 822650742 /nfs/dbraw/zinc/65/07/42/822650742.db2.gz PSZJCKRIYXBQPF-UHFFFAOYSA-N 1 1 391.515 4.112 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@@H+](Cc3ccccn3)C(C)C)ccc2c1 ZINC000048273528 822650745 /nfs/dbraw/zinc/65/07/45/822650745.db2.gz PSZJCKRIYXBQPF-UHFFFAOYSA-N 1 1 391.515 4.112 20 0 GIADMO COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184533160 822652292 /nfs/dbraw/zinc/65/22/92/822652292.db2.gz QYQSPQNDUWDTRD-HOTGVXAUSA-N 1 1 395.528 4.347 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CSCc2ccncc2)cc1 ZINC000048323294 822653615 /nfs/dbraw/zinc/65/36/15/822653615.db2.gz DBQKSJJVSFAXLR-GOSISDBHSA-N 1 1 383.561 4.006 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1ccccn1 ZINC000048323547 822653876 /nfs/dbraw/zinc/65/38/76/822653876.db2.gz WOVDWLMGUIDIQL-SFHVURJKSA-N 1 1 383.561 4.006 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1ccccn1 ZINC000048323546 822653908 /nfs/dbraw/zinc/65/39/08/822653908.db2.gz WOVDWLMGUIDIQL-GOSISDBHSA-N 1 1 383.561 4.006 20 0 GIADMO CCN1CC[NH+]([C@@H](C)CNc2nc(C)nc3scc(-c4ccccc4)c32)CC1 ZINC000048345076 822654833 /nfs/dbraw/zinc/65/48/33/822654833.db2.gz DHYZOJJKBRLQJF-INIZCTEOSA-N 1 1 395.576 4.105 20 0 GIADMO CCN1CC[NH+]([C@H](C)CNc2nc(C)nc3scc(-c4ccccc4)c32)CC1 ZINC000048345078 822654850 /nfs/dbraw/zinc/65/48/50/822654850.db2.gz DHYZOJJKBRLQJF-MRXNPFEDSA-N 1 1 395.576 4.105 20 0 GIADMO CCOc1c(OC)cc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180285992 822655546 /nfs/dbraw/zinc/65/55/46/822655546.db2.gz QQKRJKXTQUJUGA-QZXCRCNTSA-N 1 1 391.533 4.033 20 0 GIADMO CCOc1c(OC)cc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180285992 822655548 /nfs/dbraw/zinc/65/55/48/822655548.db2.gz QQKRJKXTQUJUGA-QZXCRCNTSA-N 1 1 391.533 4.033 20 0 GIADMO CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000180287125 822655837 /nfs/dbraw/zinc/65/58/37/822655837.db2.gz IOGZRTYZWADIDM-JKSUJKDBSA-N 1 1 378.476 4.327 20 0 GIADMO Cn1c(Cl)cnc1C[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000180287144 822655907 /nfs/dbraw/zinc/65/59/07/822655907.db2.gz IPQKDQTWHGBMAU-UHFFFAOYSA-N 1 1 394.700 4.327 20 0 GIADMO Cn1c(Cl)cnc1C[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000180287144 822655909 /nfs/dbraw/zinc/65/59/09/822655909.db2.gz IPQKDQTWHGBMAU-UHFFFAOYSA-N 1 1 394.700 4.327 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184559098 822657385 /nfs/dbraw/zinc/65/73/85/822657385.db2.gz WKULXGMSBTYBHJ-LEWJYISDSA-N 1 1 397.567 4.030 20 0 GIADMO Cc1ccccc1C(NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1C ZINC000455473571 822661449 /nfs/dbraw/zinc/66/14/49/822661449.db2.gz KTCCTZJINXGLHW-IHWFROFDSA-N 1 1 377.532 4.317 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000048459574 822664014 /nfs/dbraw/zinc/66/40/14/822664014.db2.gz LBDXYVBFDXYELK-UHFFFAOYSA-N 1 1 397.519 4.222 20 0 GIADMO C[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCCC[C@H]1C ZINC000048480197 822666481 /nfs/dbraw/zinc/66/64/81/822666481.db2.gz PEAAZDZFWAZJGT-MSOLQXFVSA-N 1 1 394.519 4.323 20 0 GIADMO CC[N@H+](Cc1c(C2CC2)nc2sccn12)CC1CCN(c2ccccn2)CC1 ZINC000180367520 822671013 /nfs/dbraw/zinc/67/10/13/822671013.db2.gz HKQWYWQUROURAJ-UHFFFAOYSA-N 1 1 395.576 4.407 20 0 GIADMO Cc1ccccc1CNc1ccccc1NC(=O)CCCC[NH+]1CCOCC1 ZINC000180389160 822674203 /nfs/dbraw/zinc/67/42/03/822674203.db2.gz SJPNIXNBIWGVAW-UHFFFAOYSA-N 1 1 381.520 4.048 20 0 GIADMO COc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1C ZINC000455564856 822675356 /nfs/dbraw/zinc/67/53/56/822675356.db2.gz JFXVOJKFENQFPM-PKOBYXMFSA-N 1 1 397.519 4.044 20 0 GIADMO COc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1C ZINC000455564847 822675430 /nfs/dbraw/zinc/67/54/30/822675430.db2.gz JFXVOJKFENQFPM-HKUYNNGSSA-N 1 1 397.519 4.044 20 0 GIADMO COc1cc(C[N@H+](C)Cc2cn(C)nc2C(C)(C)C)c(SC)cc1OC ZINC000180404444 822676173 /nfs/dbraw/zinc/67/61/73/822676173.db2.gz RDOOALSYUJUGHI-UHFFFAOYSA-N 1 1 377.554 4.089 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2C(C)(C)C)c(SC)cc1OC ZINC000180404444 822676176 /nfs/dbraw/zinc/67/61/76/822676176.db2.gz RDOOALSYUJUGHI-UHFFFAOYSA-N 1 1 377.554 4.089 20 0 GIADMO Cc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nn1-c1ccc(F)cc1 ZINC000180409589 822676789 /nfs/dbraw/zinc/67/67/89/822676789.db2.gz QNQZBCDLONFBGB-HKUYNNGSSA-N 1 1 398.526 4.046 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C1 ZINC000180417373 822678104 /nfs/dbraw/zinc/67/81/04/822678104.db2.gz FHDOEMOHYDZFRX-GASCZTMLSA-N 1 1 385.474 4.003 20 0 GIADMO C[NH+](C)CCOc1ccc(CNCc2ccnc(Oc3ccccc3)c2)cc1 ZINC000048711323 822679204 /nfs/dbraw/zinc/67/92/04/822679204.db2.gz GMGBBCWUTNVION-UHFFFAOYSA-N 1 1 377.488 4.104 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)NCCC2CC(F)(F)C2)C[N@H+]1Cc1ccccc1 ZINC000455593281 822680483 /nfs/dbraw/zinc/68/04/83/822680483.db2.gz HCZDJULLVAHPIR-AEFFLSMTSA-N 1 1 379.495 4.022 20 0 GIADMO Cc1scc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000180432231 822680755 /nfs/dbraw/zinc/68/07/55/822680755.db2.gz VLLJSGHGFRKFDZ-GOSISDBHSA-N 1 1 380.517 4.261 20 0 GIADMO COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)c1OC ZINC000048752086 822681313 /nfs/dbraw/zinc/68/13/13/822681313.db2.gz ABKIUOGNQCQOCM-UHFFFAOYSA-N 1 1 385.895 4.450 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180438437 822682141 /nfs/dbraw/zinc/68/21/41/822682141.db2.gz UYLFEZBFCMGPOF-FZKQIMNGSA-N 1 1 394.441 4.297 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)C3=CCC(C)(C)CC3)CC2)cs1 ZINC000455601114 822682132 /nfs/dbraw/zinc/68/21/32/822682132.db2.gz ROKZVAFUGCTJPL-UHFFFAOYSA-N 1 1 375.582 4.170 20 0 GIADMO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000048776670 822682185 /nfs/dbraw/zinc/68/21/85/822682185.db2.gz UGQMVGJAIYWEEZ-UHFFFAOYSA-N 1 1 399.498 4.050 20 0 GIADMO Brc1cccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c1 ZINC000048776364 822682196 /nfs/dbraw/zinc/68/21/96/822682196.db2.gz AOVGPMOUPVJELT-UHFFFAOYSA-N 1 1 382.305 4.413 20 0 GIADMO COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)c(OC)c1 ZINC000048776813 822682269 /nfs/dbraw/zinc/68/22/69/822682269.db2.gz RRBYWSKIJFTADT-UHFFFAOYSA-N 1 1 385.895 4.200 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N[C@H](c2ccccc2)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000455610249 822684068 /nfs/dbraw/zinc/68/40/68/822684068.db2.gz BFSIJFGBMQPLBC-LSTHTHJFSA-N 1 1 387.474 4.345 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000455611288 822684255 /nfs/dbraw/zinc/68/42/55/822684255.db2.gz LOVTTXPFXORJGB-SFHVURJKSA-N 1 1 381.973 4.090 20 0 GIADMO O=C(Nc1cccc(C2CC2)n1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455616263 822684966 /nfs/dbraw/zinc/68/49/66/822684966.db2.gz ISTSPNPLNGXPPK-DEOSSOPVSA-N 1 1 390.531 4.479 20 0 GIADMO c1csc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180457967 822685876 /nfs/dbraw/zinc/68/58/76/822685876.db2.gz BFSHBHMPVUUTDW-ICSRJNTNSA-N 1 1 397.569 4.307 20 0 GIADMO c1csc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180457967 822685880 /nfs/dbraw/zinc/68/58/80/822685880.db2.gz BFSHBHMPVUUTDW-ICSRJNTNSA-N 1 1 397.569 4.307 20 0 GIADMO CC[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000180463999 822686577 /nfs/dbraw/zinc/68/65/77/822686577.db2.gz YRESNJRLOSKSDK-GJZGRUSLSA-N 1 1 381.358 4.212 20 0 GIADMO C[C@H]([NH2+]Cc1ccnc(Cl)c1)c1cc2c(cc1Br)OCCO2 ZINC000180472411 822687930 /nfs/dbraw/zinc/68/79/30/822687930.db2.gz LZLDFWCRMDHQBC-JTQLQIEISA-N 1 1 383.673 4.120 20 0 GIADMO OCc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)c1 ZINC000180473853 822688171 /nfs/dbraw/zinc/68/81/71/822688171.db2.gz MKJQRIGIZOAPNL-HSZRJFAPSA-N 1 1 395.886 4.483 20 0 GIADMO COC(=O)c1oc([C@H](C)[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1C ZINC000180488950 822690150 /nfs/dbraw/zinc/69/01/50/822690150.db2.gz XUXKCEMNLVVQMJ-HNNXBMFYSA-N 1 1 385.460 4.039 20 0 GIADMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3nnc(C)n3C3CC3)s2)cc1 ZINC000184786427 822690733 /nfs/dbraw/zinc/69/07/33/822690733.db2.gz PPYZEYBGNPMDRT-LBPRGKRZSA-N 1 1 383.521 4.213 20 0 GIADMO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)n1 ZINC000184786735 822690976 /nfs/dbraw/zinc/69/09/76/822690976.db2.gz ANQBBRXWZSIZSD-GFCCVEGCSA-N 1 1 384.505 4.036 20 0 GIADMO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)c(Br)c1 ZINC000180503220 822692142 /nfs/dbraw/zinc/69/21/42/822692142.db2.gz GCFNNWOJQFSRAW-OAQYLSRUSA-N 1 1 386.742 4.472 20 0 GIADMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)c(Br)c1 ZINC000180503220 822692145 /nfs/dbraw/zinc/69/21/45/822692145.db2.gz GCFNNWOJQFSRAW-OAQYLSRUSA-N 1 1 386.742 4.472 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(OC(F)F)c1 ZINC000180504954 822692641 /nfs/dbraw/zinc/69/26/41/822692641.db2.gz JXPZEBYBQLGJNA-HOCLYGCPSA-N 1 1 383.460 4.446 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455657782 822693215 /nfs/dbraw/zinc/69/32/15/822693215.db2.gz DGMUZWSTOONMNB-DENIHFKCSA-N 1 1 393.531 4.176 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)c1nc(-c2ccccc2)cs1 ZINC000180525092 822696083 /nfs/dbraw/zinc/69/60/83/822696083.db2.gz ANCQKKZDWKPNAQ-SJORKVTESA-N 1 1 391.540 4.434 20 0 GIADMO O=C(Nc1ccc(C2CCC2)cn1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455672822 822697007 /nfs/dbraw/zinc/69/70/07/822697007.db2.gz FMOLKUKNWYQAKF-VXKWHMMOSA-N 1 1 390.531 4.335 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000049409739 822700405 /nfs/dbraw/zinc/70/04/05/822700405.db2.gz LHCIFSPXGJFHBU-INIZCTEOSA-N 1 1 382.291 4.426 20 0 GIADMO CCOc1ccccc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180569575 822704132 /nfs/dbraw/zinc/70/41/32/822704132.db2.gz RSJZOIWLQVVAII-INIZCTEOSA-N 1 1 384.373 4.446 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180601248 822709044 /nfs/dbraw/zinc/70/90/44/822709044.db2.gz XNBORIQPCWIOGC-CYBMUJFWSA-N 1 1 386.858 4.316 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000455708879 822709209 /nfs/dbraw/zinc/70/92/09/822709209.db2.gz GRPHAEZVXATWTH-QGZVFWFLSA-N 1 1 375.561 4.244 20 0 GIADMO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000184906175 822711031 /nfs/dbraw/zinc/71/10/31/822711031.db2.gz CIJDYJUWCVWSNX-RDJZCZTQSA-N 1 1 386.879 4.394 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OCC(F)(F)F ZINC000180611174 822712087 /nfs/dbraw/zinc/71/20/87/822712087.db2.gz MSULCOBXJIEGGQ-NVXWUHKLSA-N 1 1 397.441 4.306 20 0 GIADMO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000180611222 822712167 /nfs/dbraw/zinc/71/21/67/822712167.db2.gz YJYIOEDBZQYYAM-OAHLLOKOSA-N 1 1 395.482 4.239 20 0 GIADMO Cn1cc(Br)cc1C[N@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000180614053 822712728 /nfs/dbraw/zinc/71/27/28/822712728.db2.gz BIQVQZCDAZWTAU-UHFFFAOYSA-N 1 1 395.251 4.088 20 0 GIADMO Cn1cc(Br)cc1C[N@@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000180614053 822712730 /nfs/dbraw/zinc/71/27/30/822712730.db2.gz BIQVQZCDAZWTAU-UHFFFAOYSA-N 1 1 395.251 4.088 20 0 GIADMO Cc1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)ccc1-n1cncn1 ZINC000180618898 822713877 /nfs/dbraw/zinc/71/38/77/822713877.db2.gz VWZRXIQDDQSOIE-CTNGQTDRSA-N 1 1 380.492 4.037 20 0 GIADMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000180620303 822714138 /nfs/dbraw/zinc/71/41/38/822714138.db2.gz ARHUXKXBDFCQCG-ROUUACIJSA-N 1 1 389.492 4.174 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2ccccc2OCCF)CC[N@H+]1Cc1ccccc1 ZINC000455726277 822714786 /nfs/dbraw/zinc/71/47/86/822714786.db2.gz TVFAREDZLUMRLO-PKOBYXMFSA-N 1 1 385.483 4.210 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2OCCF)CC[N@H+]1Cc1ccccc1 ZINC000455726272 822714813 /nfs/dbraw/zinc/71/48/13/822714813.db2.gz TVFAREDZLUMRLO-IEBWSBKVSA-N 1 1 385.483 4.210 20 0 GIADMO CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000050026541 822714867 /nfs/dbraw/zinc/71/48/67/822714867.db2.gz SFIJKUUHUUZZMG-LJQANCHMSA-N 1 1 379.504 4.132 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000050058118 822716493 /nfs/dbraw/zinc/71/64/93/822716493.db2.gz LISYUYRHGJSHCA-HNNXBMFYSA-N 1 1 391.512 4.320 20 0 GIADMO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)c(C)s2)no1 ZINC000184953871 822717900 /nfs/dbraw/zinc/71/79/00/822717900.db2.gz HKWTTYUOSPBEOK-NSHDSACASA-N 1 1 390.896 4.358 20 0 GIADMO Cn1cc(-c2cc(C[N@@H+](Cc3cccc(Br)c3)C3CC3)on2)cn1 ZINC000184974394 822720354 /nfs/dbraw/zinc/72/03/54/822720354.db2.gz MJMQMHFSHUAOML-UHFFFAOYSA-N 1 1 387.281 4.002 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1c(C)ccc(F)c1Br ZINC000455757771 822720810 /nfs/dbraw/zinc/72/08/10/822720810.db2.gz UONNNGKRCJBHRM-ZDUSSCGKSA-N 1 1 395.276 4.098 20 0 GIADMO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1c(C)noc1C ZINC000185001228 822723733 /nfs/dbraw/zinc/72/37/33/822723733.db2.gz TZZJZZZPMGKZOT-GJZGRUSLSA-N 1 1 381.398 4.156 20 0 GIADMO Cc1nc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccccc2)o1 ZINC000185007642 822724667 /nfs/dbraw/zinc/72/46/67/822724667.db2.gz LOLCDGJESNZOPN-HXUWFJFHSA-N 1 1 389.499 4.244 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)c1nccs1 ZINC000185059858 822730885 /nfs/dbraw/zinc/73/08/85/822730885.db2.gz JHJWJIIXMSCROZ-MOPGFXCFSA-N 1 1 387.549 4.336 20 0 GIADMO CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185061407 822731051 /nfs/dbraw/zinc/73/10/51/822731051.db2.gz LYJMREOUYGMPCS-MAUKXSAKSA-N 1 1 399.466 4.090 20 0 GIADMO O=C(CCCOCc1ccccc1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000050604156 822734506 /nfs/dbraw/zinc/73/45/06/822734506.db2.gz OGHHNRSMOZBBSZ-UHFFFAOYSA-N 1 1 387.549 4.455 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000050629013 822735153 /nfs/dbraw/zinc/73/51/53/822735153.db2.gz DDFMPCOFUVFKSY-AWEZNQCLSA-N 1 1 377.941 4.314 20 0 GIADMO CCSCc1ccc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000455869091 822739877 /nfs/dbraw/zinc/73/98/77/822739877.db2.gz JGUFJMMZVQOHIW-UHFFFAOYSA-N 1 1 399.560 4.094 20 0 GIADMO CC(C)c1ncsc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000455869069 822739893 /nfs/dbraw/zinc/73/98/93/822739893.db2.gz QOFRAPFUXCTWLK-MSOLQXFVSA-N 1 1 384.549 4.252 20 0 GIADMO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000051002902 822743984 /nfs/dbraw/zinc/74/39/84/822743984.db2.gz UAXWMCMTTIPQOR-GOSISDBHSA-N 1 1 387.568 4.110 20 0 GIADMO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C(C)C)cccc2C(C)C)C1 ZINC000051002902 822743986 /nfs/dbraw/zinc/74/39/86/822743986.db2.gz UAXWMCMTTIPQOR-GOSISDBHSA-N 1 1 387.568 4.110 20 0 GIADMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000185157954 822744192 /nfs/dbraw/zinc/74/41/92/822744192.db2.gz WBDBMQKKIBBRBD-UHFFFAOYSA-N 1 1 386.458 4.302 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000185170584 822745132 /nfs/dbraw/zinc/74/51/32/822745132.db2.gz POYBTJYLULEQIU-GOSISDBHSA-N 1 1 378.582 4.014 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000051057463 822745175 /nfs/dbraw/zinc/74/51/75/822745175.db2.gz ARYTVEYDUKPSGC-OAQYLSRUSA-N 1 1 393.531 4.067 20 0 GIADMO CCc1ccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000455910069 822747216 /nfs/dbraw/zinc/74/72/16/822747216.db2.gz PKIIJFJESXXLSM-NRFANRHFSA-N 1 1 396.535 4.171 20 0 GIADMO CSc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132707 822747261 /nfs/dbraw/zinc/74/72/61/822747261.db2.gz HZMKHTCCTYKIPP-PGRDOPGGSA-N 1 1 384.545 4.447 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132855 822747270 /nfs/dbraw/zinc/74/72/70/822747270.db2.gz DRWXCZSSPMQQFU-LQBOVUBWSA-N 1 1 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CCCCCNC(=O)C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000051800480 822779036 /nfs/dbraw/zinc/77/90/36/822779036.db2.gz QNDDVBUFFWUZJZ-UHFFFAOYSA-N 1 1 387.351 4.391 20 0 GIADMO CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)CC1CCN(c2ccccn2)CC1 ZINC000174395519 822783600 /nfs/dbraw/zinc/78/36/00/822783600.db2.gz GKLQQLXVLMWXRU-UHFFFAOYSA-N 1 1 395.482 4.009 20 0 GIADMO COc1ccccc1-c1ccc(C[NH2+][C@@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000174400225 822784558 /nfs/dbraw/zinc/78/45/58/822784558.db2.gz ZBGIPADIZAFQAC-KRWDZBQOSA-N 1 1 385.471 4.189 20 0 GIADMO CCc1cccc(CC)c1NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402302 822785018 /nfs/dbraw/zinc/78/50/18/822785018.db2.gz ZRWPCQVXISPJRK-OAQYLSRUSA-N 1 1 393.575 4.204 20 0 GIADMO C[NH+](C)Cc1ccc(CNCc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000174403044 822785159 /nfs/dbraw/zinc/78/51/59/822785159.db2.gz AHRCNQRFKDFEOG-OAQYLSRUSA-N 1 1 388.939 4.249 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(Cn2nc(Nc3ccccc3F)sc2=S)CC1 ZINC000052087400 822790328 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Cc1[nH+]ccn1CCNC(=O)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 ZINC000052221684 822793437 /nfs/dbraw/zinc/79/34/37/822793437.db2.gz NBMJAVNILUSYLA-UHFFFAOYSA-N 1 1 391.368 4.446 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000174468911 822794418 /nfs/dbraw/zinc/79/44/18/822794418.db2.gz HVZUKIFMUJDOEV-DZGCQCFKSA-N 1 1 386.367 4.395 20 0 GIADMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482244 822795438 /nfs/dbraw/zinc/79/54/38/822795438.db2.gz VWRUGQPXFHGQIH-KBXCAEBGSA-N 1 1 394.313 4.135 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc32)C1 ZINC000174482488 822795423 /nfs/dbraw/zinc/79/54/23/822795423.db2.gz OWDVKLHSFBGODD-SFHVURJKSA-N 1 1 397.563 4.487 20 0 GIADMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482244 822795435 /nfs/dbraw/zinc/79/54/35/822795435.db2.gz VWRUGQPXFHGQIH-KBXCAEBGSA-N 1 1 394.313 4.135 20 0 GIADMO C[C@H](CCc1ccccc1)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174483544 822795652 /nfs/dbraw/zinc/79/56/52/822795652.db2.gz HYVZOIAXAZUWNN-OFNKIYASSA-N 1 1 379.548 4.171 20 0 GIADMO C[C@@H](CCc1ccccc1)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174483533 822795665 /nfs/dbraw/zinc/79/56/65/822795665.db2.gz HYVZOIAXAZUWNN-REWPJTCUSA-N 1 1 379.548 4.171 20 0 GIADMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2nccs2)CC1 ZINC000052358634 822797199 /nfs/dbraw/zinc/79/71/99/822797199.db2.gz GASKTANXCSRGLY-KRWDZBQOSA-N 1 1 392.528 4.279 20 0 GIADMO CC(C)OCc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC000456311256 822797229 /nfs/dbraw/zinc/79/72/29/822797229.db2.gz SAJZMWGRYCHGCB-FQEVSTJZSA-N 1 1 380.532 4.206 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456332058 822799223 /nfs/dbraw/zinc/79/92/23/822799223.db2.gz PGLPOHKPDJRGOR-AGUYFDCRSA-N 1 1 394.302 4.312 20 0 GIADMO C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000456331699 822799225 /nfs/dbraw/zinc/79/92/25/822799225.db2.gz KMYMBHYYOGYBRR-QRQLOZEOSA-N 1 1 382.470 4.336 20 0 GIADMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(COC(C)C)c2)c1 ZINC000052430100 822799311 /nfs/dbraw/zinc/79/93/11/822799311.db2.gz ILDOXBKTEPEBGO-HSZRJFAPSA-N 1 1 396.531 4.074 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2cccc(COC(C)C)c2)c1 ZINC000052430100 822799313 /nfs/dbraw/zinc/79/93/13/822799313.db2.gz ILDOXBKTEPEBGO-HSZRJFAPSA-N 1 1 396.531 4.074 20 0 GIADMO Cc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c(-c2ccccc2)o1 ZINC000456351299 822801305 /nfs/dbraw/zinc/80/13/05/822801305.db2.gz WPQGLKMMNIDMIU-SFHVURJKSA-N 1 1 389.499 4.244 20 0 GIADMO C[C@@H](O)CC(C)(C)CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000174526906 822801389 /nfs/dbraw/zinc/80/13/89/822801389.db2.gz PZYNAQUHBQVZMZ-QGZVFWFLSA-N 1 1 375.557 4.370 20 0 GIADMO CCOCc1ccccc1CNC(=O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000052518292 822802451 /nfs/dbraw/zinc/80/24/51/822802451.db2.gz OZORMLORXFISOL-KRWDZBQOSA-N 1 1 380.488 4.279 20 0 GIADMO CCOCc1ccccc1CNC(=O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000052518292 822802452 /nfs/dbraw/zinc/80/24/52/822802452.db2.gz OZORMLORXFISOL-KRWDZBQOSA-N 1 1 380.488 4.279 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000174549520 822803829 /nfs/dbraw/zinc/80/38/29/822803829.db2.gz NBORTXNDOYMTTD-ZDUSSCGKSA-N 1 1 381.293 4.140 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000174549520 822803832 /nfs/dbraw/zinc/80/38/32/822803832.db2.gz NBORTXNDOYMTTD-ZDUSSCGKSA-N 1 1 381.293 4.140 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000174552495 822804161 /nfs/dbraw/zinc/80/41/61/822804161.db2.gz SEWSTLGCMHSZPM-OAHLLOKOSA-N 1 1 382.430 4.136 20 0 GIADMO CCn1c(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)nc2c1cccc2F ZINC000185635292 822804950 /nfs/dbraw/zinc/80/49/50/822804950.db2.gz UPKGGWHDVPZXHB-LLVKDONJSA-N 1 1 397.420 4.422 20 0 GIADMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 ZINC000185640115 822805539 /nfs/dbraw/zinc/80/55/39/822805539.db2.gz QZSCSYJAFBZGNX-KRWDZBQOSA-N 1 1 377.257 4.024 20 0 GIADMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)cc1 ZINC000185640115 822805542 /nfs/dbraw/zinc/80/55/42/822805542.db2.gz QZSCSYJAFBZGNX-KRWDZBQOSA-N 1 1 377.257 4.024 20 0 GIADMO COc1sc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1Br ZINC000185639928 822805603 /nfs/dbraw/zinc/80/56/03/822805603.db2.gz MURXOOXPRFZHOE-UHFFFAOYSA-N 1 1 382.323 4.003 20 0 GIADMO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2csc(Nc3ccccc3)n2)cc1 ZINC000185651271 822806904 /nfs/dbraw/zinc/80/69/04/822806904.db2.gz ZJYFYXGYKMRKSL-HNNXBMFYSA-N 1 1 397.500 4.289 20 0 GIADMO C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccc(Cl)nc1 ZINC000174584135 822808303 /nfs/dbraw/zinc/80/83/03/822808303.db2.gz QSYDGXNFELYWQU-UHFFFAOYSA-N 1 1 393.918 4.463 20 0 GIADMO C[C@H]1CCN(C(=O)Nc2ccccc2N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000174589484 822808922 /nfs/dbraw/zinc/80/89/22/822808922.db2.gz XSLDUHNIGIDUIE-FQEVSTJZSA-N 1 1 392.547 4.415 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCC3)cc2C)c1 ZINC000052774305 822810098 /nfs/dbraw/zinc/81/00/98/822810098.db2.gz FUJVZHGIRBYLCC-MRXNPFEDSA-N 1 1 383.492 4.052 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804124 822811126 /nfs/dbraw/zinc/81/11/26/822811126.db2.gz FDXARCVYGVMOMU-HNAYVOBHSA-N 1 1 383.517 4.039 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804124 822811131 /nfs/dbraw/zinc/81/11/31/822811131.db2.gz FDXARCVYGVMOMU-HNAYVOBHSA-N 1 1 383.517 4.039 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174606304 822811521 /nfs/dbraw/zinc/81/15/21/822811521.db2.gz VSRMEEXXUCHACL-MRXNPFEDSA-N 1 1 396.516 4.266 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000174606304 822811525 /nfs/dbraw/zinc/81/15/25/822811525.db2.gz VSRMEEXXUCHACL-MRXNPFEDSA-N 1 1 396.516 4.266 20 0 GIADMO C[C@H](NCc1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185715437 822813554 /nfs/dbraw/zinc/81/35/54/822813554.db2.gz BUUPJQHFPXXEPE-ROUUACIJSA-N 1 1 396.554 4.243 20 0 GIADMO COCc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000174630746 822814705 /nfs/dbraw/zinc/81/47/05/822814705.db2.gz QVWQYLJPANEBOX-HSZRJFAPSA-N 1 1 395.524 4.116 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC000174633434 822815236 /nfs/dbraw/zinc/81/52/36/822815236.db2.gz LFHJZHQFDSLMAZ-GOSISDBHSA-N 1 1 397.519 4.222 20 0 GIADMO C[C@H](NCc1cc(=O)oc2cc3c(cc12)CCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728378 822815264 /nfs/dbraw/zinc/81/52/64/822815264.db2.gz WGVVLCQBGWVMLZ-QFBILLFUSA-N 1 1 380.532 4.024 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC4(CCC4)[C@H]3c3ccco3)CC2)cs1 ZINC000456562933 822816340 /nfs/dbraw/zinc/81/63/40/822816340.db2.gz LVBNUPADRSEBDF-LJQANCHMSA-N 1 1 385.533 4.010 20 0 GIADMO C[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185750200 822817433 /nfs/dbraw/zinc/81/74/33/822817433.db2.gz PPMYLQFPSJIPRQ-GOEBONIOSA-N 1 1 375.463 4.362 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760637 822818547 /nfs/dbraw/zinc/81/85/47/822818547.db2.gz SWTVPMWYHVDQRO-YESZJQIVSA-N 1 1 377.960 4.218 20 0 GIADMO CSc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)ccc1NC(C)=O ZINC000053016762 822818635 /nfs/dbraw/zinc/81/86/35/822818635.db2.gz LQDICDJYFONRPO-UHFFFAOYSA-N 1 1 399.560 4.137 20 0 GIADMO C[C@@H](NCC(=O)Nc1ccc(SC(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185764989 822818898 /nfs/dbraw/zinc/81/88/98/822818898.db2.gz JOQZFKDPGNJLRH-HUUCEWRRSA-N 1 1 397.535 4.182 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000174660312 822819867 /nfs/dbraw/zinc/81/98/67/822819867.db2.gz SVWJYZJIMUQZCW-FQEVSTJZSA-N 1 1 394.519 4.021 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000174660299 822819882 /nfs/dbraw/zinc/81/98/82/822819882.db2.gz SVWJYZJIMUQZCW-HXUWFJFHSA-N 1 1 394.519 4.021 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)N([C@H](C)C4CC4)C4CC4)CC3)c2c1 ZINC000053075831 822820366 /nfs/dbraw/zinc/82/03/66/822820366.db2.gz AJLRZIUBBNNRGM-MRXNPFEDSA-N 1 1 393.531 4.055 20 0 GIADMO CC[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000053088783 822821198 /nfs/dbraw/zinc/82/11/98/822821198.db2.gz ITXHVEYFINNCFG-HNAYVOBHSA-N 1 1 388.446 4.446 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677502 822822075 /nfs/dbraw/zinc/82/20/75/822822075.db2.gz BBEYIPGBTBLNJP-KRWDZBQOSA-N 1 1 391.437 4.245 20 0 GIADMO CC(C)C[C@H](CO)N(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000185802204 822822398 /nfs/dbraw/zinc/82/23/98/822822398.db2.gz NUYMNJWRODGETB-HXUWFJFHSA-N 1 1 375.557 4.322 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@@H](C)C(C)(C)c3ccccc3)CC2)[nH+]c1 ZINC000174681314 822822580 /nfs/dbraw/zinc/82/25/80/822822580.db2.gz UWPIQCVNFWFCBU-SFHVURJKSA-N 1 1 380.536 4.024 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000174685347 822823156 /nfs/dbraw/zinc/82/31/56/822823156.db2.gz LWPDHDWPGGUMLB-OLZOCXBDSA-N 1 1 394.302 4.266 20 0 GIADMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1NC(=O)c1ccccc1 ZINC000053160477 822824286 /nfs/dbraw/zinc/82/42/86/822824286.db2.gz YMVIKOYAMBFNGL-PKOBYXMFSA-N 1 1 393.531 4.098 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(C(C)(C)C)c3O)CC2)cs1 ZINC000185823436 822824593 /nfs/dbraw/zinc/82/45/93/822824593.db2.gz ZUMBRCZMVSBVSM-UHFFFAOYSA-N 1 1 387.549 4.305 20 0 GIADMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)oc2c1C(=O)CCC2 ZINC000053187610 822825321 /nfs/dbraw/zinc/82/53/21/822825321.db2.gz RHYMWXYJPNYLGF-INIZCTEOSA-N 1 1 394.515 4.411 20 0 GIADMO Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cnn1C(C)(C)C ZINC000053187642 822825501 /nfs/dbraw/zinc/82/55/01/822825501.db2.gz KHGROJHNTLLLCC-QGZVFWFLSA-N 1 1 382.552 4.251 20 0 GIADMO COc1ccccc1Oc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000174749874 822832169 /nfs/dbraw/zinc/83/21/69/822832169.db2.gz GSRMEKXPQKWHKX-WMZOPIPTSA-N 1 1 383.492 4.434 20 0 GIADMO CCCn1c(C)nnc1C[N@H+](C)[C@H](CC)Cc1ccccc1Br ZINC000185926950 822834433 /nfs/dbraw/zinc/83/44/33/822834433.db2.gz VUHSCBNKWAZHCL-MRXNPFEDSA-N 1 1 379.346 4.212 20 0 GIADMO CCCn1c(C)nnc1C[N@@H+](C)[C@H](CC)Cc1ccccc1Br ZINC000185926950 822834436 /nfs/dbraw/zinc/83/44/36/822834436.db2.gz VUHSCBNKWAZHCL-MRXNPFEDSA-N 1 1 379.346 4.212 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000185937674 822835212 /nfs/dbraw/zinc/83/52/12/822835212.db2.gz QPDPYGNGWWDOKF-INIZCTEOSA-N 1 1 395.532 4.172 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)Cc2ncc(-c3ccccc3Br)o2)[C@H](C)C1 ZINC000174775259 822835572 /nfs/dbraw/zinc/83/55/72/822835572.db2.gz IQGZKTSUTIHYJD-RHSMWYFYSA-N 1 1 392.341 4.266 20 0 GIADMO O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@]2(CCSC2)C1 ZINC000456840566 822837123 /nfs/dbraw/zinc/83/71/23/822837123.db2.gz PDRLYEXMYYFDNW-PGRDOPGGSA-N 1 1 387.593 4.239 20 0 GIADMO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1nc(-c2ccccc2)cs1 ZINC000174791382 822837439 /nfs/dbraw/zinc/83/74/39/822837439.db2.gz BGIIHEFGQHSKQZ-SJLPKXTDSA-N 1 1 386.565 4.387 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3cc[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000185965374 822838639 /nfs/dbraw/zinc/83/86/39/822838639.db2.gz FXRHCJDQBDHIAZ-UWJYYQICSA-N 1 1 389.503 4.251 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)COC(c2ccccc2)c2ccccc2)cn1 ZINC000053545685 822840082 /nfs/dbraw/zinc/84/00/82/822840082.db2.gz XEZDWJJCQAJTBV-UHFFFAOYSA-N 1 1 398.466 4.320 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cn1 ZINC000053545645 822840092 /nfs/dbraw/zinc/84/00/92/822840092.db2.gz VVSFRLUJNDQTST-UHFFFAOYSA-N 1 1 384.439 4.260 20 0 GIADMO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)ccc1OC1CCCC1 ZINC000053546770 822840186 /nfs/dbraw/zinc/84/01/86/822840186.db2.gz MWAAKEQAMBUFET-UHFFFAOYSA-N 1 1 392.459 4.158 20 0 GIADMO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000174807833 822840168 /nfs/dbraw/zinc/84/01/68/822840168.db2.gz KZTMDQUENHBBLZ-UXHICEINSA-N 1 1 397.494 4.414 20 0 GIADMO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 ZINC000456906972 822841130 /nfs/dbraw/zinc/84/11/30/822841130.db2.gz VQAQYCHGALUMJV-UHFFFAOYSA-N 1 1 399.966 4.153 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000053603627 822842402 /nfs/dbraw/zinc/84/24/02/822842402.db2.gz KWUVZFZRWFJSJN-HXUWFJFHSA-N 1 1 393.512 4.255 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000053603627 822842405 /nfs/dbraw/zinc/84/24/05/822842405.db2.gz KWUVZFZRWFJSJN-HXUWFJFHSA-N 1 1 393.512 4.255 20 0 GIADMO C[N@@H+](CC(=O)Nc1cccc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174824753 822842410 /nfs/dbraw/zinc/84/24/10/822842410.db2.gz QMAVGOSJGDUIBG-UHFFFAOYSA-N 1 1 397.519 4.110 20 0 GIADMO COc1ccccc1Oc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000174834637 822843689 /nfs/dbraw/zinc/84/36/89/822843689.db2.gz STSGJQSXNZRXTC-MJGOQNOKSA-N 1 1 397.519 4.112 20 0 GIADMO O=C(CCCc1ccc(Br)s1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456998051 822845361 /nfs/dbraw/zinc/84/53/61/822845361.db2.gz RKKFANYEFPQAPR-INIZCTEOSA-N 1 1 393.350 4.006 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1 ZINC000053721894 822846222 /nfs/dbraw/zinc/84/62/22/822846222.db2.gz XHWHTAWFYPDERL-MRXNPFEDSA-N 1 1 384.524 4.313 20 0 GIADMO CC(C)c1ccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)s1 ZINC000186050263 822847309 /nfs/dbraw/zinc/84/73/09/822847309.db2.gz DLGUSHFFGSCNLC-SFHVURJKSA-N 1 1 399.560 4.290 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1OC ZINC000174857935 822847411 /nfs/dbraw/zinc/84/74/11/822847411.db2.gz CNWAGTBXQOHOTH-SFHVURJKSA-N 1 1 385.483 4.210 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000457082680 822851177 /nfs/dbraw/zinc/85/11/77/822851177.db2.gz ISKIGKMFTYPODW-INIZCTEOSA-N 1 1 382.932 4.082 20 0 GIADMO OCCC[N@@H+](Cc1ccc(Br)cn1)[C@@H]1CCCc2ccccc21 ZINC000174908981 822854230 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FXRBOVSCDIYETM-GOSISDBHSA-N 1 1 396.535 4.293 20 0 GIADMO CC[NH+]1CCC(CN[C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000569155798 822885503 /nfs/dbraw/zinc/88/55/03/822885503.db2.gz NKBGSTCHDXBPOX-LJQANCHMSA-N 1 1 377.326 4.453 20 0 GIADMO CC(=O)Nc1c(C)ccc(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000054446093 822886593 /nfs/dbraw/zinc/88/65/93/822886593.db2.gz XDVRWBJZXOAFNO-GASCZTMLSA-N 1 1 388.556 4.140 20 0 GIADMO CCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000457535927 822887505 /nfs/dbraw/zinc/88/75/05/822887505.db2.gz UKHLGYZPEHBSPP-OAHLLOKOSA-N 1 1 394.338 4.040 20 0 GIADMO Cc1ccc(Oc2ccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cn2)cc1C ZINC000175133732 822889278 /nfs/dbraw/zinc/88/92/78/822889278.db2.gz KEZPVDGQNMGCTA-IEBWSBKVSA-N 1 1 382.508 4.437 20 0 GIADMO CC(C)c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000175135654 822889713 /nfs/dbraw/zinc/88/97/13/822889713.db2.gz BHNCBBMHRQAFJY-PXNSSMCTSA-N 1 1 399.560 4.009 20 0 GIADMO O=C(COCc1cccc(Cl)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000457553016 822889902 /nfs/dbraw/zinc/88/99/02/822889902.db2.gz IKDMOEBDQIWLTH-FRIKZZABSA-N 1 1 398.934 4.168 20 0 GIADMO COc1cc(Br)c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1OC ZINC000186410654 822890134 /nfs/dbraw/zinc/89/01/34/822890134.db2.gz IHQRMNVIHKFSSO-SUMWQHHRSA-N 1 1 391.309 4.444 20 0 GIADMO COc1cc(Br)c(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1OC ZINC000186410654 822890138 /nfs/dbraw/zinc/89/01/38/822890138.db2.gz IHQRMNVIHKFSSO-SUMWQHHRSA-N 1 1 391.309 4.444 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2C(=O)N(C)C)cc1)C(C)C ZINC000186414029 822890642 /nfs/dbraw/zinc/89/06/42/822890642.db2.gz PVEPZLAKEAIOIO-UHFFFAOYSA-N 1 1 385.483 4.010 20 0 GIADMO Fc1cccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)c1F ZINC000569192916 822891178 /nfs/dbraw/zinc/89/11/78/822891178.db2.gz LLOVKVAVFOXLNU-UHFFFAOYSA-N 1 1 378.220 4.203 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)C1 ZINC000054510884 822891578 /nfs/dbraw/zinc/89/15/78/822891578.db2.gz ZDWUUEBHYJQXEH-SFHVURJKSA-N 1 1 382.552 4.097 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000054510014 822891632 /nfs/dbraw/zinc/89/16/32/822891632.db2.gz BTCCAIQCSUVQBO-BEFAXECRSA-N 1 1 375.513 4.008 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)C1 ZINC000054510872 822891678 /nfs/dbraw/zinc/89/16/78/822891678.db2.gz LKDAOAMNCCCFFZ-MAUKXSAKSA-N 1 1 394.357 4.028 20 0 GIADMO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1F ZINC000175147704 822891918 /nfs/dbraw/zinc/89/19/18/822891918.db2.gz JJMIRFSDPGHMIV-FZKQIMNGSA-N 1 1 377.485 4.100 20 0 GIADMO C[N@@H+](Cc1csc2ccccc12)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054513812 822892008 /nfs/dbraw/zinc/89/20/08/822892008.db2.gz WJFYUMXDNSLPDL-UHFFFAOYSA-N 1 1 379.445 4.158 20 0 GIADMO C[N@H+](Cc1csc2ccccc12)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054513812 822892011 /nfs/dbraw/zinc/89/20/11/822892011.db2.gz WJFYUMXDNSLPDL-UHFFFAOYSA-N 1 1 379.445 4.158 20 0 GIADMO CCN(CC(C)C)Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000054514146 822892070 /nfs/dbraw/zinc/89/20/70/822892070.db2.gz UAZVLHSEMHNCHS-HNNXBMFYSA-N 1 1 379.549 4.100 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000175160545 822895043 /nfs/dbraw/zinc/89/50/43/822895043.db2.gz REUMYSATPYNLLO-NRFANRHFSA-N 1 1 394.519 4.277 20 0 GIADMO CO[C@@H](C)c1nc(C)c(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000175161172 822895272 /nfs/dbraw/zinc/89/52/72/822895272.db2.gz IQNRSIYLSUUUGO-WMZOPIPTSA-N 1 1 388.533 4.228 20 0 GIADMO Cn1c2ccc(Cl)cc2nc1C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000569235280 822895385 /nfs/dbraw/zinc/89/53/85/822895385.db2.gz SPNBDIYLJNSPQL-IYARVYRRSA-N 1 1 399.922 4.238 20 0 GIADMO Cn1c2ccc(Cl)cc2nc1C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000569235280 822895391 /nfs/dbraw/zinc/89/53/91/822895391.db2.gz SPNBDIYLJNSPQL-IYARVYRRSA-N 1 1 399.922 4.238 20 0 GIADMO Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000569238252 822895461 /nfs/dbraw/zinc/89/54/61/822895461.db2.gz ISDOPNLLODOYGO-ZBLYBZFDSA-N 1 1 384.545 4.215 20 0 GIADMO COCC1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCC1 ZINC000457593951 822895756 /nfs/dbraw/zinc/89/57/56/822895756.db2.gz ZOMBZQWYYBNMNS-UHFFFAOYSA-N 1 1 399.362 4.281 20 0 GIADMO COc1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc(OC)c1OCC(F)F ZINC000569245589 822895993 /nfs/dbraw/zinc/89/59/93/822895993.db2.gz MYZWHKFPUDIIQG-KRWDZBQOSA-N 1 1 393.430 4.001 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc([C@H]4CCOC4)c3)C2)s1 ZINC000569249534 822896239 /nfs/dbraw/zinc/89/62/39/822896239.db2.gz HZPRXPFDOVXBIX-NQIIRXRSSA-N 1 1 398.572 4.155 20 0 GIADMO COC(=O)c1ccccc1CC1CC[NH+](Cc2ncc(CSC)s2)CC1 ZINC000569255108 822897350 /nfs/dbraw/zinc/89/73/50/822897350.db2.gz VNBJCRARCRMPQL-UHFFFAOYSA-N 1 1 390.574 4.247 20 0 GIADMO CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000175172340 822897468 /nfs/dbraw/zinc/89/74/68/822897468.db2.gz BZFMMENFSIKRHA-UHFFFAOYSA-N 1 1 381.451 4.205 20 0 GIADMO CC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000175172340 822897471 /nfs/dbraw/zinc/89/74/71/822897471.db2.gz BZFMMENFSIKRHA-UHFFFAOYSA-N 1 1 381.451 4.205 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000175175178 822897667 /nfs/dbraw/zinc/89/76/67/822897667.db2.gz QELOZUMWMGHMHD-INIZCTEOSA-N 1 1 391.471 4.019 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175175178 822897669 /nfs/dbraw/zinc/89/76/69/822897669.db2.gz QELOZUMWMGHMHD-INIZCTEOSA-N 1 1 391.471 4.019 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000054606685 822898586 /nfs/dbraw/zinc/89/85/86/822898586.db2.gz ZYYNICQIOYJFGI-LJQANCHMSA-N 1 1 397.910 4.426 20 0 GIADMO Clc1ccc(-c2ncc(C[NH+]3CCC(CN4CCOCC4)CC3)s2)cc1 ZINC000569268530 822898588 /nfs/dbraw/zinc/89/85/88/822898588.db2.gz DKBVBLQISPGXEM-UHFFFAOYSA-N 1 1 391.968 4.008 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000054606111 822898594 /nfs/dbraw/zinc/89/85/94/822898594.db2.gz CXZYVBHKGFGADH-LJQANCHMSA-N 1 1 395.894 4.276 20 0 GIADMO CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000054607746 822898686 /nfs/dbraw/zinc/89/86/86/822898686.db2.gz MOYATTPXMQUDFA-UHFFFAOYSA-N 1 1 389.912 4.022 20 0 GIADMO Cn1c(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000186465024 822899715 /nfs/dbraw/zinc/89/97/15/822899715.db2.gz ZEDLPURNIDTVMR-UHFFFAOYSA-N 1 1 376.838 4.439 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2Oc2ccccc2)cn1 ZINC000054626420 822899943 /nfs/dbraw/zinc/89/99/43/822899943.db2.gz PRQAJQYBSASPNV-UHFFFAOYSA-N 1 1 384.439 4.298 20 0 GIADMO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000569274858 822899948 /nfs/dbraw/zinc/89/99/48/822899948.db2.gz PXBKVNHUFHUEBV-KRWDZBQOSA-N 1 1 378.419 4.318 20 0 GIADMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000569274858 822899953 /nfs/dbraw/zinc/89/99/53/822899953.db2.gz PXBKVNHUFHUEBV-KRWDZBQOSA-N 1 1 378.419 4.318 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000054626335 822900060 /nfs/dbraw/zinc/90/00/60/822900060.db2.gz JCSAEFBMTBCKAT-UHFFFAOYSA-N 1 1 394.906 4.357 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3oc(C)c(C)c3c2)[C@H](C)C1 ZINC000186474296 822901152 /nfs/dbraw/zinc/90/11/52/822901152.db2.gz GYEBUGOBTBKKSF-QRWLVFNGSA-N 1 1 387.524 4.308 20 0 GIADMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000569291828 822902649 /nfs/dbraw/zinc/90/26/49/822902649.db2.gz SUGVWEIDYRGHHK-QGZVFWFLSA-N 1 1 378.944 4.400 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000054670052 822903340 /nfs/dbraw/zinc/90/33/40/822903340.db2.gz JYHFHWOBIWTFRL-PMACEKPBSA-N 1 1 389.455 4.387 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1c1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000054670052 822903342 /nfs/dbraw/zinc/90/33/42/822903342.db2.gz JYHFHWOBIWTFRL-PMACEKPBSA-N 1 1 389.455 4.387 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000569296715 822903499 /nfs/dbraw/zinc/90/34/99/822903499.db2.gz HHPBGGBTEUBCBR-HNNXBMFYSA-N 1 1 384.911 4.137 20 0 GIADMO COC[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000457669549 822904241 /nfs/dbraw/zinc/90/42/41/822904241.db2.gz XKMNYKYLMSHAHH-WOJBJXKFSA-N 1 1 387.568 4.019 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457673922 822904762 /nfs/dbraw/zinc/90/47/62/822904762.db2.gz ZSOFDNNGOUEDKJ-CQSZACIVSA-N 1 1 383.330 4.159 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)N(Cc1ccco1)Cc1ccccc1 ZINC000054685578 822906359 /nfs/dbraw/zinc/90/63/59/822906359.db2.gz BRQIMLYOWARVNT-UHFFFAOYSA-N 1 1 395.528 4.111 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)N(Cc1ccco1)Cc1ccccc1 ZINC000054685578 822906363 /nfs/dbraw/zinc/90/63/63/822906363.db2.gz BRQIMLYOWARVNT-UHFFFAOYSA-N 1 1 395.528 4.111 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000175216385 822906683 /nfs/dbraw/zinc/90/66/83/822906683.db2.gz MWLMKLKUKZSWAS-PXNSSMCTSA-N 1 1 383.540 4.001 20 0 GIADMO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175215879 822906710 /nfs/dbraw/zinc/90/67/10/822906710.db2.gz BGXHFNFGCIHACZ-UHFFFAOYSA-N 1 1 389.471 4.312 20 0 GIADMO CC[C@@H](CC(F)F)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457692316 822907365 /nfs/dbraw/zinc/90/73/65/822907365.db2.gz ZNQCFLFENPSOTK-ZWKOTPCHSA-N 1 1 390.478 4.258 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457704032 822908964 /nfs/dbraw/zinc/90/89/64/822908964.db2.gz TUVFVUXWQBVKGJ-XABSUIGJSA-N 1 1 394.918 4.077 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457704032 822908968 /nfs/dbraw/zinc/90/89/68/822908968.db2.gz TUVFVUXWQBVKGJ-XABSUIGJSA-N 1 1 394.918 4.077 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000569342255 822909748 /nfs/dbraw/zinc/90/97/48/822909748.db2.gz DGYZHYCJJAYABB-FCEUIQTBSA-N 1 1 398.497 4.454 20 0 GIADMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(Cl)cc2)C1 ZINC000457736675 822912476 /nfs/dbraw/zinc/91/24/76/822912476.db2.gz PVDFZNSAJJJOMH-FQEVSTJZSA-N 1 1 399.966 4.284 20 0 GIADMO c1cc(-c2n[nH]cc2C[N@H+](CCc2ccccn2)Cc2ccncc2)cs1 ZINC000569392792 822915682 /nfs/dbraw/zinc/91/56/82/822915682.db2.gz YYOHAYXNRNQRKC-UHFFFAOYSA-N 1 1 375.501 4.173 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000054839367 822917057 /nfs/dbraw/zinc/91/70/57/822917057.db2.gz RNTIRRVLGFDSCS-DOTOQJQBSA-N 1 1 398.532 4.375 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000054839366 822917068 /nfs/dbraw/zinc/91/70/68/822917068.db2.gz RNTIRRVLGFDSCS-NVXWUHKLSA-N 1 1 398.532 4.375 20 0 GIADMO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@@H](CO)c3ccc(F)cc3)cc2)c1 ZINC000569401845 822917194 /nfs/dbraw/zinc/91/71/94/822917194.db2.gz HYLPDMRRAPAJMQ-QFIPXVFZSA-N 1 1 394.446 4.188 20 0 GIADMO OCC[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cc1cccc(F)c1 ZINC000569410439 822918727 /nfs/dbraw/zinc/91/87/27/822918727.db2.gz YAMCHGKZNQOINJ-UHFFFAOYSA-N 1 1 393.384 4.025 20 0 GIADMO OCC[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cc1cccc(F)c1 ZINC000569410439 822918729 /nfs/dbraw/zinc/91/87/29/822918729.db2.gz YAMCHGKZNQOINJ-UHFFFAOYSA-N 1 1 393.384 4.025 20 0 GIADMO c1nc2ccccc2n1Cc1cccc(-c2noc([C@H]3CCC[N@H+]3C3CC3)n2)c1 ZINC000569412542 822918947 /nfs/dbraw/zinc/91/89/47/822918947.db2.gz DTRDAMQSXDTOQZ-OAQYLSRUSA-N 1 1 385.471 4.434 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186592985 822919918 /nfs/dbraw/zinc/91/99/18/822919918.db2.gz PVJOANXOVRPPAK-UHFFFAOYSA-N 1 1 390.430 4.071 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186592985 822919923 /nfs/dbraw/zinc/91/99/23/822919923.db2.gz PVJOANXOVRPPAK-UHFFFAOYSA-N 1 1 390.430 4.071 20 0 GIADMO Cc1cc(CNC(=O)Cc2ccccc2OC2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000457795980 822920183 /nfs/dbraw/zinc/92/01/83/822920183.db2.gz CTYZJCNPQSCSIM-UHFFFAOYSA-N 1 1 393.531 4.171 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(Br)co1 ZINC000457799038 822920376 /nfs/dbraw/zinc/92/03/76/822920376.db2.gz VSAXRNHUNRPFLW-QGZVFWFLSA-N 1 1 391.309 4.073 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)C2)C1 ZINC000569420060 822920520 /nfs/dbraw/zinc/92/05/20/822920520.db2.gz DPMQXNMLLOYVEY-FQEVSTJZSA-N 1 1 386.883 4.087 20 0 GIADMO Cc1oc2ccccc2c1CCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000569423380 822921028 /nfs/dbraw/zinc/92/10/28/822921028.db2.gz QHUVGXQGBAPCNP-UHFFFAOYSA-N 1 1 393.487 4.240 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(-c2cncnc2)cc1F ZINC000186600281 822921499 /nfs/dbraw/zinc/92/14/99/822921499.db2.gz UXOAPEKVHHVGDP-HXUWFJFHSA-N 1 1 396.510 4.057 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)F)cc1 ZINC000175277292 822922530 /nfs/dbraw/zinc/92/25/30/822922530.db2.gz CUQAULXDRBZKML-SFHVURJKSA-N 1 1 388.458 4.272 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CC[C@H](C)C[C@H]3c3ccco3)CC2)[nH+]c1 ZINC000175282815 822923960 /nfs/dbraw/zinc/92/39/60/822923960.db2.gz ARHBWZNNPHSCHN-LPHOPBHVSA-N 1 1 382.508 4.135 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000175285049 822924434 /nfs/dbraw/zinc/92/44/34/822924434.db2.gz BCAZXZPTYSXVDL-NRFANRHFSA-N 1 1 389.543 4.389 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1cccs1 ZINC000175284586 822924476 /nfs/dbraw/zinc/92/44/76/822924476.db2.gz ULGDHJQRNPOFSA-LJQANCHMSA-N 1 1 384.545 4.082 20 0 GIADMO COCCOc1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186625294 822925541 /nfs/dbraw/zinc/92/55/41/822925541.db2.gz XAVOPHULOOZFHD-OPAMFIHVSA-N 1 1 383.467 4.025 20 0 GIADMO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000186645152 822928753 /nfs/dbraw/zinc/92/87/53/822928753.db2.gz VYYFWFDEAJFLLQ-QMHKHESXSA-N 1 1 389.478 4.494 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(C)c1 ZINC000186650669 822929662 /nfs/dbraw/zinc/92/96/62/822929662.db2.gz HDLXUXIMBNGQFU-DEOSSOPVSA-N 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O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)C1(CCF)CC1 ZINC000570088241 823004647 /nfs/dbraw/zinc/00/46/47/823004647.db2.gz WCWAETLKEPKFSY-UHFFFAOYSA-N 1 1 395.522 4.083 20 0 GIADMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC000570112023 823006628 /nfs/dbraw/zinc/00/66/28/823006628.db2.gz GTJNNPVRQXNWPH-HXUWFJFHSA-N 1 1 384.568 4.093 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)c2ccccc2OC)C1 ZINC000175625141 823008816 /nfs/dbraw/zinc/00/88/16/823008816.db2.gz KFLQFVULRJFFLA-ICSRJNTNSA-N 1 1 375.557 4.156 20 0 GIADMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000187106121 823011331 /nfs/dbraw/zinc/01/13/31/823011331.db2.gz GHHAGUWOVBANNS-SFTDATJTSA-N 1 1 378.472 4.438 20 0 GIADMO COc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1F ZINC000187108114 823011521 /nfs/dbraw/zinc/01/15/21/823011521.db2.gz UJNMOCBEGLLNDC-VQIMIIECSA-N 1 1 385.483 4.351 20 0 GIADMO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)c1ccco1 ZINC000187110413 823011893 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823036497 /nfs/dbraw/zinc/03/64/97/823036497.db2.gz PFECXNNAYMVOTJ-OCCSQVGLSA-N 1 1 387.434 4.000 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187289546 823037524 /nfs/dbraw/zinc/03/75/24/823037524.db2.gz DTMRAAFZSWSENY-HIFRSBDPSA-N 1 1 396.409 4.257 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000175792346 823041217 /nfs/dbraw/zinc/04/12/17/823041217.db2.gz MKINZPJARKSSJL-CYBMUJFWSA-N 1 1 387.455 4.428 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N[C@]2(C)C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000458445320 823041501 /nfs/dbraw/zinc/04/15/01/823041501.db2.gz YKMQLFUTHPPMID-BAYUQKDNSA-N 1 1 383.561 4.376 20 0 GIADMO Cc1cnc([C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)C2CC2)s1 ZINC000458452073 823042233 /nfs/dbraw/zinc/04/22/33/823042233.db2.gz HJWDUJJPUZLQGQ-OXQOHEQNSA-N 1 1 398.576 4.066 20 0 GIADMO Cc1csc([C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)C2CC2)n1 ZINC000458461427 823043450 /nfs/dbraw/zinc/04/34/50/823043450.db2.gz PGPUFACPOXXIQA-OXQOHEQNSA-N 1 1 398.576 4.066 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000175800586 823043607 /nfs/dbraw/zinc/04/36/07/823043607.db2.gz ZZUQGYPKSMWJRV-HNNXBMFYSA-N 1 1 395.507 4.061 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCc3ccc(Cl)cc32)cc1F ZINC000060561280 823542606 /nfs/dbraw/zinc/54/26/06/823542606.db2.gz CTVPTFQKYIVPMY-UHFFFAOYSA-N 1 1 384.842 4.246 20 0 GIADMO C[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1cccc(Cl)c1 ZINC000460933143 823545382 /nfs/dbraw/zinc/54/53/82/823545382.db2.gz NDSXAFGJKUFRCF-QGZVFWFLSA-N 1 1 382.935 4.493 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123878758 823548622 /nfs/dbraw/zinc/54/86/22/823548622.db2.gz IYFRHGWUBCQXSR-QZTJIDSGSA-N 1 1 376.566 4.043 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123878758 823548625 /nfs/dbraw/zinc/54/86/25/823548625.db2.gz IYFRHGWUBCQXSR-QZTJIDSGSA-N 1 1 376.566 4.043 20 0 GIADMO COc1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1OCc1ccccc1 ZINC000060645019 823550277 /nfs/dbraw/zinc/55/02/77/823550277.db2.gz BECCJVVKCXNIFK-RBUKOAKNSA-N 1 1 396.531 4.124 20 0 GIADMO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000060669516 823551461 /nfs/dbraw/zinc/55/14/61/823551461.db2.gz AMZBDTMUMSISSK-NSHDSACASA-N 1 1 385.455 4.228 20 0 GIADMO CCOC(=O)c1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cs1 ZINC000123952731 823554951 /nfs/dbraw/zinc/55/49/51/823554951.db2.gz UWBZPHHKIOAAMP-OALUTQOASA-N 1 1 388.533 4.188 20 0 GIADMO CCOC(=O)c1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)cs1 ZINC000123952731 823554955 /nfs/dbraw/zinc/55/49/55/823554955.db2.gz UWBZPHHKIOAAMP-OALUTQOASA-N 1 1 388.533 4.188 20 0 GIADMO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(F)c1 ZINC000123957761 823555241 /nfs/dbraw/zinc/55/52/41/823555241.db2.gz CFSKHLPJJVXMEB-DJJJIMSYSA-N 1 1 394.849 4.050 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2sc(-c3ccccc3)nc2C)c1 ZINC000123961354 823555647 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C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411433160 823573733 /nfs/dbraw/zinc/57/37/33/823573733.db2.gz XNDGQBLGANORJH-DNVCBOLYSA-N 1 1 392.421 4.496 20 0 GIADMO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411433160 823573736 /nfs/dbraw/zinc/57/37/36/823573736.db2.gz XNDGQBLGANORJH-DNVCBOLYSA-N 1 1 392.421 4.496 20 0 GIADMO C[C@H](CC(F)F)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000411434412 823573779 /nfs/dbraw/zinc/57/37/79/823573779.db2.gz BTKNCHSHCZLEDF-PBHICJAKSA-N 1 1 378.488 4.255 20 0 GIADMO C[C@H](CC(F)F)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000411434412 823573780 /nfs/dbraw/zinc/57/37/80/823573780.db2.gz BTKNCHSHCZLEDF-PBHICJAKSA-N 1 1 378.488 4.255 20 0 GIADMO Clc1ccccc1COc1cccc(C[NH2+]Cc2nnc3ccccn32)c1 ZINC000061029273 823574315 /nfs/dbraw/zinc/57/43/15/823574315.db2.gz UFCUPGMCSXPBMB-UHFFFAOYSA-N 1 1 378.863 4.252 20 0 GIADMO C[C@]1(CCCO)CCC[N@@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000411439717 823574425 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COc1cc(Br)ccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1C ZINC000190451398 823576321 /nfs/dbraw/zinc/57/63/21/823576321.db2.gz BOGTZNGTVURKJS-ZDUSSCGKSA-N 1 1 377.282 4.055 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000461100866 823577339 /nfs/dbraw/zinc/57/73/39/823577339.db2.gz BOWWFAKEPMKCIK-TZIWHRDSSA-N 1 1 395.572 4.174 20 0 GIADMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(O[C@@H](C)CC)c2)C1 ZINC000124214968 823578019 /nfs/dbraw/zinc/57/80/19/823578019.db2.gz VNDFDBPEGACACN-PKOBYXMFSA-N 1 1 376.541 4.001 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)C1 ZINC000190478027 823579501 /nfs/dbraw/zinc/57/95/01/823579501.db2.gz UJFMQVLYMXGNQQ-HRAATJIYSA-N 1 1 384.480 4.212 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CCc2nc(C)c(-c3ccccc3)o2)c1 ZINC000124249450 823581029 /nfs/dbraw/zinc/58/10/29/823581029.db2.gz HSHNADNQEFDQFQ-UHFFFAOYSA-N 1 1 387.443 4.110 20 0 GIADMO CSC1(C[NH2+][C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CCOCC1 ZINC000124291110 823584405 /nfs/dbraw/zinc/58/44/05/823584405.db2.gz JQEJLSGHHNCQHH-IBGZPJMESA-N 1 1 395.528 4.328 20 0 GIADMO CCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411523819 823584449 /nfs/dbraw/zinc/58/44/49/823584449.db2.gz GUCHZXYUNRRXKF-GOSISDBHSA-N 1 1 396.922 4.085 20 0 GIADMO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000061225680 823585291 /nfs/dbraw/zinc/58/52/91/823585291.db2.gz RAWJFAKQEVOILI-UHFFFAOYSA-N 1 1 376.422 4.096 20 0 GIADMO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000190555381 823585810 /nfs/dbraw/zinc/58/58/10/823585810.db2.gz DGNYUPBHZMXUGM-KRWDZBQOSA-N 1 1 393.531 4.115 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1nnnn1C1CC1 ZINC000190555237 823585882 /nfs/dbraw/zinc/58/58/82/823585882.db2.gz VUBUGGHAKWXFDS-GJZGRUSLSA-N 1 1 381.455 4.138 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190558801 823586434 /nfs/dbraw/zinc/58/64/34/823586434.db2.gz SIAFTTQOIAEWCX-NZQKXSOJSA-N 1 1 392.543 4.183 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000124315179 823586563 /nfs/dbraw/zinc/58/65/63/823586563.db2.gz BVFPFWJLXHZHQR-KRWDZBQOSA-N 1 1 399.560 4.098 20 0 GIADMO CC(=O)Nc1cccc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000190564613 823587008 /nfs/dbraw/zinc/58/70/08/823587008.db2.gz INUBNAMHJUDCQZ-KRWDZBQOSA-N 1 1 393.531 4.258 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2cccc(Cl)c2)C(C)C)cc1F ZINC000061254836 823587428 /nfs/dbraw/zinc/58/74/28/823587428.db2.gz KSOPCDDZPSUYPH-UHFFFAOYSA-N 1 1 392.902 4.357 20 0 GIADMO CC(C)[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1cccc(Cl)c1 ZINC000061254831 823587488 /nfs/dbraw/zinc/58/74/88/823587488.db2.gz OITLYNIQCGEYQS-UHFFFAOYSA-N 1 1 396.940 4.128 20 0 GIADMO CC(C)[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1cccc(Cl)c1 ZINC000061254831 823587492 /nfs/dbraw/zinc/58/74/92/823587492.db2.gz OITLYNIQCGEYQS-UHFFFAOYSA-N 1 1 396.940 4.128 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCn2ccnc2)c1 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379.426 4.200 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000461266807 823609032 /nfs/dbraw/zinc/60/90/32/823609032.db2.gz XGPPIVXVZRKGLB-AWEZNQCLSA-N 1 1 395.334 4.126 20 0 GIADMO COc1ccc(Nc2ccccc2C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000461269048 823609341 /nfs/dbraw/zinc/60/93/41/823609341.db2.gz WKYQJPVSNVNLFP-IBGZPJMESA-N 1 1 381.520 4.385 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(C)(C)c1cccc(Br)c1 ZINC000461268545 823609391 /nfs/dbraw/zinc/60/93/91/823609391.db2.gz VBKGQBHJQVYXNS-QGZVFWFLSA-N 1 1 381.358 4.060 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)COC(c1ccccc1)c1ccccc1 ZINC000461271590 823609845 /nfs/dbraw/zinc/60/98/45/823609845.db2.gz MDCODYKPZUDPFC-JOCHJYFZSA-N 1 1 380.532 4.125 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000461273474 823610405 /nfs/dbraw/zinc/61/04/05/823610405.db2.gz SHKRVUSQRRBPPY-SFHVURJKSA-N 1 1 391.968 4.339 20 0 GIADMO COc1ccc(Cl)cc1-c1nc(SCCCCn2cc[nH+]c2C)n[nH]1 ZINC000124621427 823611829 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CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000061864476 823616468 /nfs/dbraw/zinc/61/64/68/823616468.db2.gz GCXYYPCTHNELRM-GOSISDBHSA-N 1 1 383.536 4.486 20 0 GIADMO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000411956057 823616564 /nfs/dbraw/zinc/61/65/64/823616564.db2.gz VVPPCEMCTQLHDQ-CRAIPNDOSA-N 1 1 379.287 4.130 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000411956116 823616639 /nfs/dbraw/zinc/61/66/39/823616639.db2.gz VZSRKBYIZWDXEI-YJBOKZPZSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000411956116 823616643 /nfs/dbraw/zinc/61/66/43/823616643.db2.gz VZSRKBYIZWDXEI-YJBOKZPZSA-N 1 1 399.288 4.412 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC[N@H+]1C ZINC000124681541 823617011 /nfs/dbraw/zinc/61/70/11/823617011.db2.gz JWSXECJOKHABIV-FXAWDEMLSA-N 1 1 393.506 4.383 20 0 GIADMO CCc1nc(C[N@H+](C[C@@H](O)COc2ccccc2SC)C(C)C)cs1 ZINC000411977859 823617457 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395.385 4.427 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000461905831 823747965 /nfs/dbraw/zinc/74/79/65/823747965.db2.gz VCSAJBHMKLSKGX-UHFFFAOYSA-N 1 1 394.302 4.382 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(Cl)c2Br)[C@H](C)C1 ZINC000191731232 823750573 /nfs/dbraw/zinc/75/05/73/823750573.db2.gz HDEHWRNTRJIROW-BXUZGUMPSA-N 1 1 388.737 4.297 20 0 GIADMO O=C(Nc1nc2c(s1)CCCCC2)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000574502881 823750646 /nfs/dbraw/zinc/75/06/46/823750646.db2.gz OZADVYVHYNUFOO-UHFFFAOYSA-N 1 1 389.431 4.183 20 0 GIADMO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC000461910400 823750596 /nfs/dbraw/zinc/75/05/96/823750596.db2.gz ZKGQFVDCXVAJRI-HZPDHXFCSA-N 1 1 381.358 4.181 20 0 GIADMO O=C(c1cccs1)c1ccccc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064126702 823751197 /nfs/dbraw/zinc/75/11/97/823751197.db2.gz OPZZIGWFIKCFPC-UHFFFAOYSA-N 1 1 396.556 4.317 20 0 GIADMO COCCOCc1ccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000461915134 823752519 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4.138 20 0 GIADMO OC[C@]1(c2ccccc2)CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000461923410 823757751 /nfs/dbraw/zinc/75/77/51/823757751.db2.gz ZRZNHBUNBFXTPT-FQEVSTJZSA-N 1 1 383.289 4.138 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000574536959 823758133 /nfs/dbraw/zinc/75/81/33/823758133.db2.gz XGCVMXPXQLWMQL-WOJBJXKFSA-N 1 1 380.536 4.328 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000574552137 823762916 /nfs/dbraw/zinc/76/29/16/823762916.db2.gz RNCKQOKSRCFSMZ-UHFFFAOYSA-N 1 1 389.467 4.069 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000125996681 823763164 /nfs/dbraw/zinc/76/31/64/823763164.db2.gz RFPNYIGLBBLJLC-FCHUYYIVSA-N 1 1 393.437 4.264 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000126013428 823766355 /nfs/dbraw/zinc/76/63/55/823766355.db2.gz NBXVZUPUDJUUSM-INIZCTEOSA-N 1 1 380.385 4.239 20 0 GIADMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)C1 ZINC000461954614 823770589 /nfs/dbraw/zinc/77/05/89/823770589.db2.gz DABJDDGFYIFNRI-QGZVFWFLSA-N 1 1 376.909 4.150 20 0 GIADMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)C1 ZINC000461954614 823770595 /nfs/dbraw/zinc/77/05/95/823770595.db2.gz DABJDDGFYIFNRI-QGZVFWFLSA-N 1 1 376.909 4.150 20 0 GIADMO Cc1coc(-c2cccc(NC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c2)n1 ZINC000164027418 823771699 /nfs/dbraw/zinc/77/16/99/823771699.db2.gz DBJOMWFIJQFEKX-HRAATJIYSA-N 1 1 390.487 4.292 20 0 GIADMO COc1cc(F)c(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1OC ZINC000164027581 823771832 /nfs/dbraw/zinc/77/18/32/823771832.db2.gz FDTALZAVAZMYFE-UHFFFAOYSA-N 1 1 397.450 4.463 20 0 GIADMO O=C(NCCOc1ccccc1-c1ccccc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461969549 823776699 /nfs/dbraw/zinc/77/66/99/823776699.db2.gz BQDULSPMZZONCS-HSZRJFAPSA-N 1 1 386.495 4.123 20 0 GIADMO O=C(NCCOc1ccccc1-c1ccccc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000461969549 823776703 /nfs/dbraw/zinc/77/67/03/823776703.db2.gz BQDULSPMZZONCS-HSZRJFAPSA-N 1 1 386.495 4.123 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc(C)c1O ZINC000574606713 823778731 /nfs/dbraw/zinc/77/87/31/823778731.db2.gz ODMOYGYMZCPDEM-IBGZPJMESA-N 1 1 378.472 4.150 20 0 GIADMO CC[C@H](CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413446283 823779680 /nfs/dbraw/zinc/77/96/80/823779680.db2.gz YQCIRUAEGCWHFW-SOLBZPMBSA-N 1 1 385.474 4.175 20 0 GIADMO CC[C@H](CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413446282 823779713 /nfs/dbraw/zinc/77/97/13/823779713.db2.gz YQCIRUAEGCWHFW-RYRKJORJSA-N 1 1 385.474 4.175 20 0 GIADMO COc1cccc(C2(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)CC2)c1 ZINC000461978419 823780017 /nfs/dbraw/zinc/78/00/17/823780017.db2.gz RQABKKMMQIOZMO-VQTJNVASSA-N 1 1 399.579 4.023 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccoc3C(F)(F)F)c2)C[C@H](C)O1 ZINC000574610016 823780321 /nfs/dbraw/zinc/78/03/21/823780321.db2.gz BNRGZOFUVNMBKQ-STQMWFEESA-N 1 1 382.382 4.160 20 0 GIADMO Cc1c2ccccc2oc1[C@@H](C)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000461981663 823781536 /nfs/dbraw/zinc/78/15/36/823781536.db2.gz NEFIDNZUECNHSA-UYAOXDASSA-N 1 1 392.499 4.210 20 0 GIADMO Cc1c2ccccc2oc1[C@@H](C)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000461981663 823781541 /nfs/dbraw/zinc/78/15/41/823781541.db2.gz NEFIDNZUECNHSA-UYAOXDASSA-N 1 1 392.499 4.210 20 0 GIADMO Cc1c2ccccc2oc1[C@H](C)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000461981660 823781649 /nfs/dbraw/zinc/78/16/49/823781649.db2.gz NEFIDNZUECNHSA-AZUAARDMSA-N 1 1 392.499 4.210 20 0 GIADMO Cc1c2ccccc2oc1[C@H](C)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000461981660 823781659 /nfs/dbraw/zinc/78/16/59/823781659.db2.gz NEFIDNZUECNHSA-AZUAARDMSA-N 1 1 392.499 4.210 20 0 GIADMO CSCC[C@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1nnc2ccccn21 ZINC000164187258 823784893 /nfs/dbraw/zinc/78/48/93/823784893.db2.gz MRHUEEMPSJSFGX-CVEARBPZSA-N 1 1 388.537 4.489 20 0 GIADMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1Cl 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COCC[N@@H+](Cc1cccnc1)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000574726334 823810593 /nfs/dbraw/zinc/81/05/93/823810593.db2.gz MBLSQTAPFBKWTK-UHFFFAOYSA-N 1 1 379.287 4.313 20 0 GIADMO COCC[N@H+](Cc1cccnc1)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000574726334 823810599 /nfs/dbraw/zinc/81/05/99/823810599.db2.gz MBLSQTAPFBKWTK-UHFFFAOYSA-N 1 1 379.287 4.313 20 0 GIADMO COc1cccc(C[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C[C@@H]2CCCO2)c1 ZINC000064400535 823812030 /nfs/dbraw/zinc/81/20/30/823812030.db2.gz WEQSHNRCFPMEAP-NRFANRHFSA-N 1 1 393.483 4.291 20 0 GIADMO Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000462049737 823812155 /nfs/dbraw/zinc/81/21/55/823812155.db2.gz GPPKISKWVOFSEB-SFHVURJKSA-N 1 1 398.507 4.333 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191923715 823812793 /nfs/dbraw/zinc/81/27/93/823812793.db2.gz LSKZFEBLBXRSHG-AWEZNQCLSA-N 1 1 399.318 4.130 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191923715 823812801 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380.532 4.063 20 0 GIADMO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307709 823843281 /nfs/dbraw/zinc/84/32/81/823843281.db2.gz RUHKPYIXYSRTEF-CTNGQTDRSA-N 1 1 380.532 4.063 20 0 GIADMO O=C(N[C@@H](Cc1ccccc1)c1ccccc1F)c1cc(C[NH+]2CCCC2)on1 ZINC000462143104 823843329 /nfs/dbraw/zinc/84/33/29/823843329.db2.gz XARJLWRSFJQGTQ-NRFANRHFSA-N 1 1 393.462 4.123 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Oc1cccnc1 ZINC000165344692 823844506 /nfs/dbraw/zinc/84/45/06/823844506.db2.gz ZSCPAJXYQYTXJY-XLIONFOSSA-N 1 1 380.492 4.130 20 0 GIADMO C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(Br)cn1 ZINC000574857119 823844951 /nfs/dbraw/zinc/84/49/51/823844951.db2.gz WFSNKHQHACYREF-JTQLQIEISA-N 1 1 390.203 4.031 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462148294 823845097 /nfs/dbraw/zinc/84/50/97/823845097.db2.gz BJMNBYRCLMMIEB-ZDUSSCGKSA-N 1 1 397.466 4.207 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)n2)ccc1F 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Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(Br)s1 ZINC000462194527 823863810 /nfs/dbraw/zinc/86/38/10/823863810.db2.gz ILEWXTGMTXNYOK-BLLLJJGKSA-N 1 1 393.350 4.069 20 0 GIADMO CC[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413905905 823864054 /nfs/dbraw/zinc/86/40/54/823864054.db2.gz JRDUYZYPKKAIAX-AEFFLSMTSA-N 1 1 385.474 4.129 20 0 GIADMO CC[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)CC(F)(F)F ZINC000413909999 823864819 /nfs/dbraw/zinc/86/48/19/823864819.db2.gz NNJJVUQOAUSWFG-ULQDDVLXSA-N 1 1 377.495 4.261 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@H](C)C[N@@H+](C)Cc3ccccc3)cs2)cc1 ZINC000574939185 823865250 /nfs/dbraw/zinc/86/52/50/823865250.db2.gz FNOKNRXYJXYKKR-GOSISDBHSA-N 1 1 393.556 4.298 20 0 GIADMO C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462197868 823865606 /nfs/dbraw/zinc/86/56/06/823865606.db2.gz VWPXXAMYTCNRPI-GFCCVEGCSA-N 1 1 394.302 4.337 20 0 GIADMO COCC[N@@H+](C)CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000165990615 823868095 /nfs/dbraw/zinc/86/80/95/823868095.db2.gz IPVINDPFKSKHOW-DENIHFKCSA-N 1 1 398.547 4.208 20 0 GIADMO CCCOc1ccc(-c2noc([C@@]3(F)CC[N@H+](C(C)(C)C)C3)n2)cc1OC ZINC000574946815 823868121 /nfs/dbraw/zinc/86/81/21/823868121.db2.gz ZRBUXRVCYNQWOM-HXUWFJFHSA-N 1 1 377.460 4.203 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462202270 823868362 /nfs/dbraw/zinc/86/83/62/823868362.db2.gz GLPIVFYYAITAGN-DOMZBBRYSA-N 1 1 397.466 4.253 20 0 GIADMO COc1ccc(-c2cnc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)o2)cc1 ZINC000192130886 823871052 /nfs/dbraw/zinc/87/10/52/823871052.db2.gz NZIBZWPJRNDRSB-NQIIRXRSSA-N 1 1 386.398 4.248 20 0 GIADMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181859 823871903 /nfs/dbraw/zinc/87/19/03/823871903.db2.gz MKNXIUZNELWFBO-BULFRSBZSA-N 1 1 395.522 4.284 20 0 GIADMO CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064726046 823872594 /nfs/dbraw/zinc/87/25/94/823872594.db2.gz GTBNHPMDUXHOFM-HSALFYBXSA-N 1 1 388.552 4.108 20 0 GIADMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)c1cccc(Br)c1)CC2 ZINC000462209759 823873135 /nfs/dbraw/zinc/87/31/35/823873135.db2.gz KCFCPUQNZOIBBI-OLMNPRSZSA-N 1 1 379.342 4.026 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000574963299 823873946 /nfs/dbraw/zinc/87/39/46/823873946.db2.gz YROGDNMDKDAQAQ-DEOSSOPVSA-N 1 1 378.516 4.492 20 0 GIADMO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310965 823875170 /nfs/dbraw/zinc/87/51/70/823875170.db2.gz YBILSCQURIRSKR-SDDRHHMPSA-N 1 1 376.394 4.165 20 0 GIADMO C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000166310965 823875175 /nfs/dbraw/zinc/87/51/75/823875175.db2.gz YBILSCQURIRSKR-SDDRHHMPSA-N 1 1 376.394 4.165 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000462215264 823876395 /nfs/dbraw/zinc/87/63/95/823876395.db2.gz PPGIDWBKZNXTKP-UHFFFAOYSA-N 1 1 391.446 4.279 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc3cc(Br)ccc3o2)CC1 ZINC000064738948 823876902 /nfs/dbraw/zinc/87/69/02/823876902.db2.gz WWNSICFEAIYWIC-UHFFFAOYSA-N 1 1 393.325 4.388 20 0 GIADMO Cn1nc(C2CC2)nc1C[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC000574986013 823879715 /nfs/dbraw/zinc/87/97/15/823879715.db2.gz OQXYYUURAJPLOH-UHFFFAOYSA-N 1 1 389.341 4.404 20 0 GIADMO CC(C)[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000575006122 823884971 /nfs/dbraw/zinc/88/49/71/823884971.db2.gz MLKMUSWCRZBYII-HSZRJFAPSA-N 1 1 382.504 4.148 20 0 GIADMO CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000575006122 823884976 /nfs/dbraw/zinc/88/49/76/823884976.db2.gz MLKMUSWCRZBYII-HSZRJFAPSA-N 1 1 382.504 4.148 20 0 GIADMO Cc1sc(NC(=O)CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)c(C)c1C ZINC000462231263 823885034 /nfs/dbraw/zinc/88/50/34/823885034.db2.gz KLPSMNILLIZWIN-INIZCTEOSA-N 1 1 387.549 4.117 20 0 GIADMO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCCO[C@H](C(C)C)C1)c1ccccc1 ZINC000575006494 823885556 /nfs/dbraw/zinc/88/55/56/823885556.db2.gz AJRSSJSPRDDVAA-ZKMPZPQNSA-N 1 1 397.559 4.209 20 0 GIADMO Cc1nc(C)c([C@@H](C)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007652 823885835 /nfs/dbraw/zinc/88/58/35/823885835.db2.gz JILZHXVVYKZISQ-UTKZUKDTSA-N 1 1 399.604 4.339 20 0 GIADMO Cc1nc(C)c([C@@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007652 823885840 /nfs/dbraw/zinc/88/58/40/823885840.db2.gz JILZHXVVYKZISQ-UTKZUKDTSA-N 1 1 399.604 4.339 20 0 GIADMO Cc1cccc(C2(C(=O)N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000064800345 823887604 /nfs/dbraw/zinc/88/76/04/823887604.db2.gz NIGITQUVUGROHL-UHFFFAOYSA-N 1 1 382.935 4.415 20 0 GIADMO Cc1cccc(C2(C(=O)N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000064800345 823887611 /nfs/dbraw/zinc/88/76/11/823887611.db2.gz NIGITQUVUGROHL-UHFFFAOYSA-N 1 1 382.935 4.415 20 0 GIADMO CCC(CC)[N@@H+](CCOC)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000064806310 823888455 /nfs/dbraw/zinc/88/84/55/823888455.db2.gz ZMWXBMDZMRVHFS-UHFFFAOYSA-N 1 1 380.838 4.434 20 0 GIADMO Cc1cnn([C@@H]2CC[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)c1 ZINC000575030113 823893604 /nfs/dbraw/zinc/89/36/04/823893604.db2.gz YBURHJWCBAGAEO-MRXNPFEDSA-N 1 1 387.281 4.056 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C2)c1 ZINC000575030113 823893609 /nfs/dbraw/zinc/89/36/09/823893609.db2.gz YBURHJWCBAGAEO-MRXNPFEDSA-N 1 1 387.281 4.056 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(COCC2CC2)c1 ZINC000462244955 823893839 /nfs/dbraw/zinc/89/38/39/823893839.db2.gz INRPLMVKQQXXQA-WZONZLPQSA-N 1 1 393.531 4.255 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000575032861 823894904 /nfs/dbraw/zinc/89/49/04/823894904.db2.gz DTPFHPAZQVYRQI-MRXNPFEDSA-N 1 1 395.385 4.225 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc(F)ccc1F ZINC000167774817 823895214 /nfs/dbraw/zinc/89/52/14/823895214.db2.gz PQCQTOVQTYXUBJ-ZIAGYGMSSA-N 1 1 378.438 4.477 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]1C(F)F ZINC000575036247 823896160 /nfs/dbraw/zinc/89/61/60/823896160.db2.gz ITGOWCVZUAMSLV-RBUKOAKNSA-N 1 1 379.495 4.118 20 0 GIADMO C[C@@]1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC=CCC1 ZINC000414058241 823897444 /nfs/dbraw/zinc/89/74/44/823897444.db2.gz UAJOYZMIGSBBOD-HXUWFJFHSA-N 1 1 391.353 4.276 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000167927324 823898028 /nfs/dbraw/zinc/89/80/28/823898028.db2.gz DFHCOQJYEGWPJF-HZPDHXFCSA-N 1 1 393.304 4.415 20 0 GIADMO COC(=O)c1cnc([C@H](C)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000414065018 823899278 /nfs/dbraw/zinc/89/92/78/823899278.db2.gz OCEWHRRFAKLXNE-HOTGVXAUSA-N 1 1 387.549 4.012 20 0 GIADMO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000168005894 823899717 /nfs/dbraw/zinc/89/97/17/823899717.db2.gz MMEIBHQMSQGFLS-UHFFFAOYSA-N 1 1 396.922 4.097 20 0 GIADMO CCNC(=O)c1ccc(C)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000575059464 823902206 /nfs/dbraw/zinc/90/22/06/823902206.db2.gz XWLAHOVCRNDHRN-NRFANRHFSA-N 1 1 377.532 4.354 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000414075792 823903099 /nfs/dbraw/zinc/90/30/99/823903099.db2.gz XVHZUWLRARZDFV-HZPDHXFCSA-N 1 1 387.549 4.155 20 0 GIADMO COc1cc(F)c([C@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000168558258 823903556 /nfs/dbraw/zinc/90/35/56/823903556.db2.gz FCJIUAVFGBNVRF-HOTGVXAUSA-N 1 1 390.499 4.195 20 0 GIADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000168548747 823903584 /nfs/dbraw/zinc/90/35/84/823903584.db2.gz UMLQJHVROZPEBY-AOMKIAJQSA-N 1 1 398.503 4.174 20 0 GIADMO Cc1occc1C(=O)NC1CC[NH+]([C@H](C)c2cccc(Br)c2)CC1 ZINC000126579483 823904498 /nfs/dbraw/zinc/90/44/98/823904498.db2.gz KLNJDIRLEKLEGB-CYBMUJFWSA-N 1 1 391.309 4.306 20 0 GIADMO Cc1cc(CNC(=O)N[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000462271362 823908338 /nfs/dbraw/zinc/90/83/38/823908338.db2.gz SRWUYHKWKIDCOO-QRQCRPRQSA-N 1 1 398.938 4.378 20 0 GIADMO Cc1ccc(CN(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C(C)C)s1 ZINC000462275002 823909794 /nfs/dbraw/zinc/90/97/94/823909794.db2.gz ZUHNNZPFUPILHQ-UHFFFAOYSA-N 1 1 386.565 4.480 20 0 GIADMO C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000462278774 823910576 /nfs/dbraw/zinc/91/05/76/823910576.db2.gz XGDYHLBJEMOWEN-ZIAGYGMSSA-N 1 1 395.425 4.211 20 0 GIADMO Cc1ccc2cccc(C(=O)Nc3ccc([C@H](C)[NH+]4CCOCC4)cc3)c2n1 ZINC000126614524 823911800 /nfs/dbraw/zinc/91/18/00/823911800.db2.gz NWQUPQGGYSROJT-KRWDZBQOSA-N 1 1 375.472 4.189 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000462282546 823911789 /nfs/dbraw/zinc/91/17/89/823911789.db2.gz WMVGGBDHYDPOFI-FZKQIMNGSA-N 1 1 399.445 4.143 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000462282546 823911804 /nfs/dbraw/zinc/91/18/04/823911804.db2.gz WMVGGBDHYDPOFI-FZKQIMNGSA-N 1 1 399.445 4.143 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000462282546 823911809 /nfs/dbraw/zinc/91/18/09/823911809.db2.gz WMVGGBDHYDPOFI-FZKQIMNGSA-N 1 1 399.445 4.143 20 0 GIADMO COc1ccccc1CCC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575100592 823912383 /nfs/dbraw/zinc/91/23/83/823912383.db2.gz GDULZJBWZYKWLK-OAQYLSRUSA-N 1 1 380.532 4.046 20 0 GIADMO CC(C)Oc1ccccc1CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575100750 823913032 /nfs/dbraw/zinc/91/30/32/823913032.db2.gz NYABLUSPLYXMCL-QFIPXVFZSA-N 1 1 394.559 4.435 20 0 GIADMO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000575103207 823913480 /nfs/dbraw/zinc/91/34/80/823913480.db2.gz IVULZRJHGBZZJZ-NEWSRXKRSA-N 1 1 397.485 4.271 20 0 GIADMO CCCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000462304211 823917347 /nfs/dbraw/zinc/91/73/47/823917347.db2.gz CZJAECQWCUNTRE-YLJYHZDGSA-N 1 1 392.590 4.062 20 0 GIADMO C[C@H](c1csc(-c2ccccc2)n1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000414138958 823917602 /nfs/dbraw/zinc/91/76/02/823917602.db2.gz KPPCIFLQZCVKGP-SOLBZPMBSA-N 1 1 377.513 4.152 20 0 GIADMO O=C(c1ccsc1)N1CCC[N@@H+](CCOc2cccc3ccccc32)CC1 ZINC000064953683 823917635 /nfs/dbraw/zinc/91/76/35/823917635.db2.gz JLIPLOOHUQSBBI-UHFFFAOYSA-N 1 1 380.513 4.128 20 0 GIADMO O=C(Nc1nncs1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000575127548 823919017 /nfs/dbraw/zinc/91/90/17/823919017.db2.gz CCWUESPVPIMPNK-ZWKOTPCHSA-N 1 1 398.919 4.046 20 0 GIADMO COCc1ccc([C@@H]2CCC[N@H+]2CCCC(=O)Nc2ccccc2C(C)=O)o1 ZINC000575134142 823920177 /nfs/dbraw/zinc/92/01/77/823920177.db2.gz KMOGGUXWCWAQRP-FQEVSTJZSA-N 1 1 384.476 4.184 20 0 GIADMO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c(C)c1 ZINC000462310157 823920354 /nfs/dbraw/zinc/92/03/54/823920354.db2.gz GEZADAZLACACCU-UHFFFAOYSA-N 1 1 398.528 4.007 20 0 GIADMO Cc1ccc(S(=O)(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)c1 ZINC000462310157 823920356 /nfs/dbraw/zinc/92/03/56/823920356.db2.gz GEZADAZLACACCU-UHFFFAOYSA-N 1 1 398.528 4.007 20 0 GIADMO C[NH+](C)[C@H](C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccccc1 ZINC000170627375 823921472 /nfs/dbraw/zinc/92/14/72/823921472.db2.gz XQOYBNNIOZMIRR-QHCPKHFHSA-N 1 1 399.494 4.131 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)s1 ZINC000414168956 823921498 /nfs/dbraw/zinc/92/14/98/823921498.db2.gz VDPQJEYHDSZWQH-MLGOLLRUSA-N 1 1 394.924 4.402 20 0 GIADMO COc1cc(OC)cc(Oc2cccc(C[NH2+][C@@H](C)c3cc4n(n3)CCC4)c2)c1 ZINC000414167048 823921629 /nfs/dbraw/zinc/92/16/29/823921629.db2.gz RZVFTYRPOYLPMU-INIZCTEOSA-N 1 1 393.487 4.490 20 0 GIADMO C[N@H+](Cc1csc(Br)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000064994096 823921977 /nfs/dbraw/zinc/92/19/77/823921977.db2.gz HUNAKKFTXISBGE-ZDUSSCGKSA-N 1 1 390.730 4.036 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000064990700 823922213 /nfs/dbraw/zinc/92/22/13/823922213.db2.gz VZMZLMXWOSQJRH-MRXNPFEDSA-N 1 1 399.560 4.093 20 0 GIADMO CC(C)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000462323253 823924832 /nfs/dbraw/zinc/92/48/32/823924832.db2.gz HFPKHEGZOQISHG-FXAWDEMLSA-N 1 1 392.590 4.233 20 0 GIADMO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000462326231 823925320 /nfs/dbraw/zinc/92/53/20/823925320.db2.gz JHMSDPCOQYPGCT-RDTXWAMCSA-N 1 1 398.981 4.071 20 0 GIADMO Brc1ccc(N2CC[C@H]([NH2+][C@@H](c3ncc[nH]3)c3ccccc3)C2)cc1 ZINC000126682993 823926355 /nfs/dbraw/zinc/92/63/55/823926355.db2.gz YDUFYYUAZAFOND-PKOBYXMFSA-N 1 1 397.320 4.130 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(SCC(F)F)cc1 ZINC000414226907 823933693 /nfs/dbraw/zinc/93/36/93/823933693.db2.gz CEYAFOGSSIYBIQ-ZDUSSCGKSA-N 1 1 385.501 4.298 20 0 GIADMO COc1ccc([C@@H](CCC(C)C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1 ZINC000414231646 823934669 /nfs/dbraw/zinc/93/46/69/823934669.db2.gz HONPLHXUSMAQKB-HXUWFJFHSA-N 1 1 375.534 4.366 20 0 GIADMO CC(=O)c1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC000575193215 823935199 /nfs/dbraw/zinc/93/51/99/823935199.db2.gz AXTIJGYGWGYLMU-FXAWDEMLSA-N 1 1 379.504 4.230 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cs1 ZINC000170680728 823936083 /nfs/dbraw/zinc/93/60/83/823936083.db2.gz NLNDGXVKMRTDMV-UHFFFAOYSA-N 1 1 397.588 4.145 20 0 GIADMO C[N@@H+]1CCN(C(=O)Nc2ccccc2CC(F)(F)F)[C@H](c2ccccc2)C1 ZINC000575203251 823937929 /nfs/dbraw/zinc/93/79/29/823937929.db2.gz SHMWLMFAAMKJMC-SFHVURJKSA-N 1 1 377.410 4.312 20 0 GIADMO C[N@H+]1CCN(C(=O)Nc2ccccc2CC(F)(F)F)[C@H](c2ccccc2)C1 ZINC000575203251 823937935 /nfs/dbraw/zinc/93/79/35/823937935.db2.gz SHMWLMFAAMKJMC-SFHVURJKSA-N 1 1 377.410 4.312 20 0 GIADMO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(Br)c1OC ZINC000170688606 823939970 /nfs/dbraw/zinc/93/99/70/823939970.db2.gz MJJJUQHHNQGHQB-MRXNPFEDSA-N 1 1 391.309 4.153 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(Br)c1OC ZINC000170688606 823939975 /nfs/dbraw/zinc/93/99/75/823939975.db2.gz MJJJUQHHNQGHQB-MRXNPFEDSA-N 1 1 391.309 4.153 20 0 GIADMO FC(F)(F)c1ccnc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000414247719 823940365 /nfs/dbraw/zinc/94/03/65/823940365.db2.gz OUMGFWVYOBBNQQ-KURKYZTESA-N 1 1 390.453 4.028 20 0 GIADMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCCC1 ZINC000170691236 823940356 /nfs/dbraw/zinc/94/03/56/823940356.db2.gz MAXOBEFTCVUJMH-GFCCVEGCSA-N 1 1 392.849 4.313 20 0 GIADMO O[C@@H]1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000575212572 823940480 /nfs/dbraw/zinc/94/04/80/823940480.db2.gz FDDVARRMCIAZHH-NUEKZKHPSA-N 1 1 382.291 4.169 20 0 GIADMO CC(C)(CC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)S(C)(=O)=O ZINC000414250794 823941200 /nfs/dbraw/zinc/94/12/00/823941200.db2.gz GQNQOFVSJISTDF-GOSISDBHSA-N 1 1 383.916 4.371 20 0 GIADMO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)sc1Br ZINC000414254556 823942842 /nfs/dbraw/zinc/94/28/42/823942842.db2.gz MKUJMEDMUCJAJO-LLVKDONJSA-N 1 1 388.352 4.073 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 ZINC000170698928 823944690 /nfs/dbraw/zinc/94/46/90/823944690.db2.gz KQADVSBYCRZMQK-UHFFFAOYSA-N 1 1 399.347 4.210 20 0 GIADMO COc1ccccc1-c1nc(C2CC[NH+](Cc3nc4ccccc4o3)CC2)no1 ZINC000192338104 823951442 /nfs/dbraw/zinc/95/14/42/823951442.db2.gz COMMHNTVCXMCSR-UHFFFAOYSA-N 1 1 390.443 4.266 20 0 GIADMO C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C)c1csnn1 ZINC000414306813 823954726 /nfs/dbraw/zinc/95/47/26/823954726.db2.gz RFMAJEFFNFLESS-RKDXNWHRSA-N 1 1 392.834 4.278 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414307493 823955253 /nfs/dbraw/zinc/95/52/53/823955253.db2.gz YSKQXTVOQWIPRW-OAHLLOKOSA-N 1 1 378.563 4.138 20 0 GIADMO c1nc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)sc1-c1ccccc1 ZINC000192355897 823957709 /nfs/dbraw/zinc/95/77/09/823957709.db2.gz HTYZZIKQXKBZGK-OAQYLSRUSA-N 1 1 393.556 4.191 20 0 GIADMO C[N@H+]1CCC[C@@H]1CCSc1nnc(COc2ccccc2)n1Cc1ccco1 ZINC000126823167 823959508 /nfs/dbraw/zinc/95/95/08/823959508.db2.gz BHQRFRHLWVPVMO-QGZVFWFLSA-N 1 1 398.532 4.075 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)N[C@H](c1cccs1)c1ccccc1 ZINC000575398417 823966417 /nfs/dbraw/zinc/96/64/17/823966417.db2.gz LYQQKSAOWMZHMU-MZKRTTBSSA-N 1 1 398.572 4.235 20 0 GIADMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000170774643 823967437 /nfs/dbraw/zinc/96/74/37/823967437.db2.gz WBARSMMJXFBGNQ-QRWLVFNGSA-N 1 1 388.895 4.139 20 0 GIADMO Cc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)c2c1 ZINC000575408925 823967443 /nfs/dbraw/zinc/96/74/43/823967443.db2.gz APIPSBUJOYIASS-VFNWGFHPSA-N 1 1 395.528 4.220 20 0 GIADMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000170774643 823967444 /nfs/dbraw/zinc/96/74/44/823967444.db2.gz WBARSMMJXFBGNQ-QRWLVFNGSA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ncc(C(C)C)s3)CC2)cc1 ZINC000192393047 823969025 /nfs/dbraw/zinc/96/90/25/823969025.db2.gz SIRPOZGXOCEMCQ-UHFFFAOYSA-N 1 1 388.537 4.015 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)C1 ZINC000575435269 823970660 /nfs/dbraw/zinc/97/06/60/823970660.db2.gz IUUOJQWAQLVFHX-LLVKDONJSA-N 1 1 391.712 4.046 20 0 GIADMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H](C1CC1)C(F)(F)F ZINC000575476980 823973808 /nfs/dbraw/zinc/97/38/08/823973808.db2.gz ODAHBWRMJFAKJN-HXUWFJFHSA-N 1 1 376.422 4.146 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1)CC(F)(F)F ZINC000414416716 823977700 /nfs/dbraw/zinc/97/77/00/823977700.db2.gz WIKVCOOBBBAVJP-MRXNPFEDSA-N 1 1 398.448 4.026 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126926003 823982359 /nfs/dbraw/zinc/98/23/59/823982359.db2.gz MMENYEKTYSACCG-HXUWFJFHSA-N 1 1 381.520 4.373 20 0 GIADMO CS[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)c1ccccc1 ZINC000575754038 823986467 /nfs/dbraw/zinc/98/64/67/823986467.db2.gz GRSUJPOEEAAKBO-PXNSSMCTSA-N 1 1 388.602 4.441 20 0 GIADMO Cc1occc1C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000414450955 823987499 /nfs/dbraw/zinc/98/74/99/823987499.db2.gz ZEILAENSSDYTTG-CQSZACIVSA-N 1 1 378.188 4.193 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(-c4cnccn4)n3)cc2)C1 ZINC000170841883 823987954 /nfs/dbraw/zinc/98/79/54/823987954.db2.gz GTOVIFDWUPWHIG-OAHLLOKOSA-N 1 1 393.516 4.084 20 0 GIADMO Cc1cc(C[N@@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)ccc1C(F)(F)F ZINC000414458300 823989118 /nfs/dbraw/zinc/98/91/18/823989118.db2.gz WAAPQYGFUWGENM-UHFFFAOYSA-N 1 1 397.462 4.018 20 0 GIADMO Cc1cc(C[N@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)ccc1C(F)(F)F ZINC000414458300 823989125 /nfs/dbraw/zinc/98/91/25/823989125.db2.gz WAAPQYGFUWGENM-UHFFFAOYSA-N 1 1 397.462 4.018 20 0 GIADMO CC1(C)CC[C@H](C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000575776264 823992060 /nfs/dbraw/zinc/99/20/60/823992060.db2.gz FEUPPGJTVYQYGV-SFHVURJKSA-N 1 1 381.520 4.249 20 0 GIADMO CC(C)C[N@H+](CC(=O)Nc1nnc(C(C)C)s1)[C@@H]1CCCc2cccnc21 ZINC000126976244 823992777 /nfs/dbraw/zinc/99/27/77/823992777.db2.gz ABFYNVQZEFPLLG-MRXNPFEDSA-N 1 1 387.553 4.031 20 0 GIADMO CC(C)C[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)[C@@H]1CCCc2cccnc21 ZINC000126976244 823992781 /nfs/dbraw/zinc/99/27/81/823992781.db2.gz ABFYNVQZEFPLLG-MRXNPFEDSA-N 1 1 387.553 4.031 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cc2)cs1 ZINC000414489171 823994250 /nfs/dbraw/zinc/99/42/50/823994250.db2.gz SMZWDYNZADEAKK-IFMALSPDSA-N 1 1 380.513 4.338 20 0 GIADMO COc1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc(OC)c1OCC(F)F ZINC000575786059 823995210 /nfs/dbraw/zinc/99/52/10/823995210.db2.gz DIFOTFFFOGFYLC-QGZVFWFLSA-N 1 1 399.478 4.271 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000414508688 823997945 /nfs/dbraw/zinc/99/79/45/823997945.db2.gz RLSPUSFQUVFQQB-UHFFFAOYSA-N 1 1 387.545 4.339 20 0 GIADMO COc1cc(Br)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1OC ZINC000414521940 824000781 /nfs/dbraw/zinc/00/07/81/824000781.db2.gz FJGHKQCEFBULBF-SFHVURJKSA-N 1 1 398.341 4.103 20 0 GIADMO COc1ccc(Cn2nc(C)c(C[N@H+]3CC4(CCOCC4)[C@@H]3C(C)C)c2C)cc1 ZINC000414522618 824001226 /nfs/dbraw/zinc/00/12/26/824001226.db2.gz BWBRVVSDCKPGIS-QHCPKHFHSA-N 1 1 397.563 4.194 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812694 824001965 /nfs/dbraw/zinc/00/19/65/824001965.db2.gz NXWSLILBNHBNGK-MAUKXSAKSA-N 1 1 393.409 4.094 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(C3(c4ccc(C(F)(F)F)cc4)CC3)n1)OC2 ZINC000575812694 824001969 /nfs/dbraw/zinc/00/19/69/824001969.db2.gz NXWSLILBNHBNGK-MAUKXSAKSA-N 1 1 393.409 4.094 20 0 GIADMO CC[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)[C@@H](O)C(C)C ZINC000414528001 824002617 /nfs/dbraw/zinc/00/26/17/824002617.db2.gz NSMFAQJINLSHLI-OALUTQOASA-N 1 1 375.538 4.021 20 0 GIADMO C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170904436 824003474 /nfs/dbraw/zinc/00/34/74/824003474.db2.gz MNLRBRVNPOOCDF-XXBNENTESA-N 1 1 394.559 4.057 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+]3CCC[C@H](Oc4ccccc4)C3)cc2)no1 ZINC000414543874 824006912 /nfs/dbraw/zinc/00/69/12/824006912.db2.gz DRUMCIMJMUXGEJ-NRFANRHFSA-N 1 1 379.460 4.000 20 0 GIADMO CN(C[C@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1)C(=O)OC(C)(C)C ZINC000170930223 824007301 /nfs/dbraw/zinc/00/73/01/824007301.db2.gz MZPYHQYDXITDFW-CQSZACIVSA-N 1 1 377.510 4.092 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1)C(=O)OC(C)(C)C ZINC000170930223 824007309 /nfs/dbraw/zinc/00/73/09/824007309.db2.gz MZPYHQYDXITDFW-CQSZACIVSA-N 1 1 377.510 4.092 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCCc4ccccc43)cc2)C1 ZINC000127057456 824008601 /nfs/dbraw/zinc/00/86/01/824008601.db2.gz QHQRSPGVUFDZGI-IBGZPJMESA-N 1 1 377.532 4.185 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414550494 824009470 /nfs/dbraw/zinc/00/94/70/824009470.db2.gz NHHWHAYMONKSDS-JOCHJYFZSA-N 1 1 378.516 4.339 20 0 GIADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000414551125 824009732 /nfs/dbraw/zinc/00/97/32/824009732.db2.gz AWVDQLQSISJFJD-WBVHZDCISA-N 1 1 380.554 4.329 20 0 GIADMO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(OC)c1OC ZINC000414559153 824012435 /nfs/dbraw/zinc/01/24/35/824012435.db2.gz PGWJJEWGFVLYIQ-QFIPXVFZSA-N 1 1 383.488 4.066 20 0 GIADMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(OC)c1OC ZINC000414559153 824012441 /nfs/dbraw/zinc/01/24/41/824012441.db2.gz PGWJJEWGFVLYIQ-QFIPXVFZSA-N 1 1 383.488 4.066 20 0 GIADMO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000414560555 824013154 /nfs/dbraw/zinc/01/31/54/824013154.db2.gz QXMOUVSLQVAQIJ-LJQANCHMSA-N 1 1 398.551 4.218 20 0 GIADMO CCC[C@@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC[N@H+]1Cc1ccccc1 ZINC000127079635 824013330 /nfs/dbraw/zinc/01/33/30/824013330.db2.gz NSIOUYACSOGWOW-DYESRHJHSA-N 1 1 382.552 4.033 20 0 GIADMO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](CCCc3cncn3C)C2)n1 ZINC000575878236 824018160 /nfs/dbraw/zinc/01/81/60/824018160.db2.gz AIILBQCSFBCYEB-QGZVFWFLSA-N 1 1 396.560 4.364 20 0 GIADMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883499 824019049 /nfs/dbraw/zinc/01/90/49/824019049.db2.gz VSDINERARKKYRX-GUXCAODWSA-N 1 1 388.353 4.405 20 0 GIADMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cncc(Br)c1 ZINC000575883499 824019057 /nfs/dbraw/zinc/01/90/57/824019057.db2.gz VSDINERARKKYRX-GUXCAODWSA-N 1 1 388.353 4.405 20 0 GIADMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(Br)c1 ZINC000575883500 824019291 /nfs/dbraw/zinc/01/92/91/824019291.db2.gz VSDINERARKKYRX-TWOQFEAHSA-N 1 1 388.353 4.405 20 0 GIADMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cncc(Br)c1 ZINC000575883500 824019296 /nfs/dbraw/zinc/01/92/96/824019296.db2.gz VSDINERARKKYRX-TWOQFEAHSA-N 1 1 388.353 4.405 20 0 GIADMO C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000127118165 824021113 /nfs/dbraw/zinc/02/11/13/824021113.db2.gz CZJNAVMWJYTXCE-OALUTQOASA-N 1 1 380.536 4.216 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000127118358 824021236 /nfs/dbraw/zinc/02/12/36/824021236.db2.gz HCLTVBBRFKDMFS-UXLLHSPISA-N 1 1 380.602 4.398 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(F)c1 ZINC000575898564 824023440 /nfs/dbraw/zinc/02/34/40/824023440.db2.gz JDBZRGSPVKLZNC-AUUYWEPGSA-N 1 1 391.512 4.491 20 0 GIADMO O=C([C@@H]1CC[NH2+]CC1(F)F)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000575915742 824029083 /nfs/dbraw/zinc/02/90/83/824029083.db2.gz PQCHPHHKGJNKCK-LSDHHAIUSA-N 1 1 376.369 4.004 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000171023033 824040635 /nfs/dbraw/zinc/04/06/35/824040635.db2.gz UFOFOJIENHJOMM-UHFFFAOYSA-N 1 1 393.447 4.014 20 0 GIADMO CCCOc1c(Br)cc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414855820 824042670 /nfs/dbraw/zinc/04/26/70/824042670.db2.gz NSYJWQZMSLPBDP-GOEBONIOSA-N 1 1 399.373 4.114 20 0 GIADMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[C@@H]1c1nc3ccccc3n1C(C)C)CC2 ZINC000575993493 824045691 /nfs/dbraw/zinc/04/56/91/824045691.db2.gz CQMHECYGDMDBFU-LAUBAEHRSA-N 1 1 391.519 4.048 20 0 GIADMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000192627066 824049742 /nfs/dbraw/zinc/04/97/42/824049742.db2.gz DZPIYNAFRLMCJR-KSSFIOAISA-N 1 1 382.335 4.105 20 0 GIADMO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000414936786 824051778 /nfs/dbraw/zinc/05/17/78/824051778.db2.gz HAMFSUJETSMXDQ-HXOBKFHXSA-N 1 1 375.516 4.409 20 0 GIADMO COCCCOc1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000192639121 824053227 /nfs/dbraw/zinc/05/32/27/824053227.db2.gz FYHVUUOQVKRMBH-UHFFFAOYSA-N 1 1 382.273 4.293 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000576032261 824054323 /nfs/dbraw/zinc/05/43/23/824054323.db2.gz CHUQFNDEPCMKHS-GFCCVEGCSA-N 1 1 378.385 4.368 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008318890 221036901 /nfs/dbraw/zinc/03/69/01/221036901.db2.gz PSFIEXVBTWOHSN-SFHVURJKSA-N 1 1 386.879 4.195 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008318890 221036904 /nfs/dbraw/zinc/03/69/04/221036904.db2.gz PSFIEXVBTWOHSN-SFHVURJKSA-N 1 1 386.879 4.195 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2c3ccccc3c3ccccc32)no1 ZINC000229653299 570665526 /nfs/dbraw/zinc/66/55/26/570665526.db2.gz JPTCIFVKGVTWOE-HXOBKFHXSA-N 1 1 375.472 4.289 20 0 GIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CC(F)(F)[C@@H]3C2)n1 ZINC001164407797 718870783 /nfs/dbraw/zinc/87/07/83/718870783.db2.gz KCWDBFZZIHGLJZ-UONOGXRCSA-N 1 1 380.508 4.241 20 0 GIADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cc(-c3ccc(C)cc3)nnc1Cl)C2 ZINC001164449439 718991672 /nfs/dbraw/zinc/99/16/72/718991672.db2.gz NRSBQMFKEAHIHI-UHFFFAOYSA-N 1 1 389.837 4.175 20 0 GIADMO FC(F)(c1cccnc1Cl)N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621467 719053911 /nfs/dbraw/zinc/05/39/11/719053911.db2.gz JIYJHVKZIOTKCJ-WMZOPIPTSA-N 1 1 377.866 4.381 20 0 GIADMO Clc1ccnc2cc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ncc12 ZINC001164629523 719075835 /nfs/dbraw/zinc/07/58/35/719075835.db2.gz XUFZTVFASUCXHV-UWJYYQICSA-N 1 1 378.907 4.384 20 0 GIADMO c1csc(-c2ccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164621668 719085654 /nfs/dbraw/zinc/08/56/54/719085654.db2.gz HKAFZQQORJYWIU-AZUAARDMSA-N 1 1 376.529 4.306 20 0 GIADMO CSc1ccc2ncnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2c1 ZINC001164630373 719110698 /nfs/dbraw/zinc/11/06/98/719110698.db2.gz VWIXXYOHBWLOHX-AVRDEDQJSA-N 1 1 390.556 4.453 20 0 GIADMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164636676 719171263 /nfs/dbraw/zinc/17/12/63/719171263.db2.gz MZINISVKFQXZOQ-NXEZZACHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC001164636676 719171270 /nfs/dbraw/zinc/17/12/70/719171270.db2.gz MZINISVKFQXZOQ-NXEZZACHSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(-c2cccnc2)nc2sc3c(c21)CCCC3 ZINC001164632265 719233970 /nfs/dbraw/zinc/23/39/70/719233970.db2.gz ARTYKPRPSJRHBV-HUUCEWRRSA-N 1 1 393.560 4.161 20 0 GIADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)c(Cl)nn2)cc1 ZINC001164635875 719257226 /nfs/dbraw/zinc/25/72/26/719257226.db2.gz QXLIWBVVDQCLGF-KBPBESRZSA-N 1 1 380.870 4.179 20 0 GIADMO Cc1ccc(-c2cc(C(F)(F)N3C[C@H](C)[N@H+](C)C[C@@H]3C)c(Cl)nn2)cc1 ZINC001164635875 719257231 /nfs/dbraw/zinc/25/72/31/719257231.db2.gz QXLIWBVVDQCLGF-KBPBESRZSA-N 1 1 380.870 4.179 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164647559 719309692 /nfs/dbraw/zinc/30/96/92/719309692.db2.gz CYXQFTXPGOFJRB-UHFFFAOYSA-N 1 1 389.956 4.351 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)nc3sccc31)CC2 ZINC001164650605 719309830 /nfs/dbraw/zinc/30/98/30/719309830.db2.gz ZMZKODZKNLFLSK-UHFFFAOYSA-N 1 1 389.956 4.351 20 0 GIADMO Cc1c(Cl)cnc(Cl)c1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164652917 719314025 /nfs/dbraw/zinc/31/40/25/719314025.db2.gz UFZHOBAOQFCECJ-UHFFFAOYSA-N 1 1 382.339 4.099 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4ccco4)nn2)CC3)cs1 ZINC001164692686 719814463 /nfs/dbraw/zinc/81/44/63/719814463.db2.gz RBBPVJOGIGDARO-UHFFFAOYSA-N 1 1 395.532 4.137 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C4CCC4)ncn2)CC3)cs1 ZINC001164692038 719814954 /nfs/dbraw/zinc/81/49/54/719814954.db2.gz KWDYRQQGYSKZHJ-UHFFFAOYSA-N 1 1 383.565 4.144 20 0 GIADMO COc1ccnc(Cl)c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164691288 719815892 /nfs/dbraw/zinc/81/58/92/719815892.db2.gz DQUJIOARNFGRKW-UHFFFAOYSA-N 1 1 392.956 4.144 20 0 GIADMO c1csc(C[N@H+]2CCOC3(CCN(c4cc5ccccc5cn4)CC3)C2)c1 ZINC001164696101 719888340 /nfs/dbraw/zinc/88/83/40/719888340.db2.gz XEBPTPVTTSXIIH-UHFFFAOYSA-N 1 1 379.529 4.168 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc3c(Cl)cccc31)C2 ZINC001164812495 720111108 /nfs/dbraw/zinc/11/11/08/720111108.db2.gz OTKBGQJMTQXJKZ-VGOFRKELSA-N 1 1 385.939 4.073 20 0 GIADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724090 720335859 /nfs/dbraw/zinc/33/58/59/720335859.db2.gz JAUKJYCIRUMZTE-HZPDHXFCSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cnc(Cl)c(Cl)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724090 720335863 /nfs/dbraw/zinc/33/58/63/720335863.db2.gz JAUKJYCIRUMZTE-HZPDHXFCSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724464 720336419 /nfs/dbraw/zinc/33/64/19/720336419.db2.gz KCWNJPYDMOOIRN-GJZGRUSLSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1ccc(Cl)nc1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164724464 720336424 /nfs/dbraw/zinc/33/64/24/720336424.db2.gz KCWNJPYDMOOIRN-GJZGRUSLSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164721104 720341094 /nfs/dbraw/zinc/34/10/94/720341094.db2.gz AGXKQDAZGMVYTQ-HOTGVXAUSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)cnc1Cl)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721104 720341097 /nfs/dbraw/zinc/34/10/97/720341097.db2.gz AGXKQDAZGMVYTQ-HOTGVXAUSA-N 1 1 399.272 4.182 20 0 GIADMO Clc1ccccc1-c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164728309 720409101 /nfs/dbraw/zinc/40/91/01/720409101.db2.gz SXCRSTQOYVSJEO-RTWAWAEBSA-N 1 1 391.906 4.045 20 0 GIADMO Cc1ccc(C)c(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nn2)c1 ZINC001164729347 720450824 /nfs/dbraw/zinc/45/08/24/720450824.db2.gz HDJQKCHRYOJEAU-GOTSBHOMSA-N 1 1 385.515 4.009 20 0 GIADMO CC(C)c1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(C(C)(C)C)n1 ZINC001164729430 720456261 /nfs/dbraw/zinc/45/62/61/720456261.db2.gz HKRUNWFCYMHOEC-WOJBJXKFSA-N 1 1 379.552 4.146 20 0 GIADMO Cc1cccc2cc(Cl)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731149 720474015 /nfs/dbraw/zinc/47/40/15/720474015.db2.gz WDLCCMKVTGITPC-RBUKOAKNSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731150 720474091 /nfs/dbraw/zinc/47/40/91/720474091.db2.gz WDLCCMKVTGITPC-RTBURBONSA-N 1 1 378.907 4.445 20 0 GIADMO Cc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164837026 720666288 /nfs/dbraw/zinc/66/62/88/720666288.db2.gz AWGLLANIOPQIKN-IBGZPJMESA-N 1 1 385.939 4.303 20 0 GIADMO Cc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)c1 ZINC001164837033 720666898 /nfs/dbraw/zinc/66/68/98/720666898.db2.gz AWGLLANIOPQIKN-LJQANCHMSA-N 1 1 385.939 4.303 20 0 GIADMO Cc1ccc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1Cl ZINC001164863277 720966833 /nfs/dbraw/zinc/96/68/33/720966833.db2.gz ZMQSIGVRIIAKKO-AWEZNQCLSA-N 1 1 397.901 4.206 20 0 GIADMO Cc1c(Cl)cnc(Cl)c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164856338 720993168 /nfs/dbraw/zinc/99/31/68/720993168.db2.gz BOMBSUAZDRJLAJ-CYBMUJFWSA-N 1 1 382.339 4.315 20 0 GIADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164878150 721252676 /nfs/dbraw/zinc/25/26/76/721252676.db2.gz SPGIYBIMCSSEJX-QRVBRYPASA-N 1 1 387.911 4.066 20 0 GIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)nc1 ZINC001164881280 721359320 /nfs/dbraw/zinc/35/93/20/721359320.db2.gz AVORWHIEXZIKPP-HSALFYBXSA-N 1 1 396.560 4.074 20 0 GIADMO Fc1cc2ccc(Cl)nc2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164781788 721410788 /nfs/dbraw/zinc/41/07/88/721410788.db2.gz FENMKLBKPXUUAV-KBPBESRZSA-N 1 1 388.899 4.052 20 0 GIADMO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc2cc(Cl)ccc12 ZINC001164784078 721417759 /nfs/dbraw/zinc/41/77/59/721417759.db2.gz KJJDYFGGVLRRMN-GASCZTMLSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc2cc(Cl)ccc12 ZINC001164784078 721417760 /nfs/dbraw/zinc/41/77/60/721417760.db2.gz KJJDYFGGVLRRMN-GASCZTMLSA-N 1 1 384.936 4.221 20 0 GIADMO CC(C)(C)c1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001164790998 721424380 /nfs/dbraw/zinc/42/43/80/721424380.db2.gz YXCGZRJRTHCLEM-HZPDHXFCSA-N 1 1 399.608 4.096 20 0 GIADMO Cc1nc2sccc2c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791178 721489198 /nfs/dbraw/zinc/48/91/98/721489198.db2.gz CCCZGORCFDUTMY-UHFFFAOYSA-N 1 1 393.560 4.276 20 0 GIADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164791300 721494243 /nfs/dbraw/zinc/49/42/43/721494243.db2.gz ABRNRQYTSMWFJS-UHFFFAOYSA-N 1 1 391.494 4.045 20 0 GIADMO Cc1cccc2ncnc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164791988 721496043 /nfs/dbraw/zinc/49/60/43/721496043.db2.gz IONCNHMQRJHDSO-UHFFFAOYSA-N 1 1 387.531 4.214 20 0 GIADMO Cc1cc2c(ccnc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)o1 ZINC001164795030 721501845 /nfs/dbraw/zinc/50/18/45/721501845.db2.gz AVVMPJKNCGFJST-UHFFFAOYSA-N 1 1 376.504 4.412 20 0 GIADMO Cc1ccc(Cl)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164904316 721692796 /nfs/dbraw/zinc/69/27/96/721692796.db2.gz FNHGHGJCABRRSH-IBGZPJMESA-N 1 1 392.881 4.176 20 0 GIADMO FC1(F)CCN(c2cccc(C3CC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913468 721736477 /nfs/dbraw/zinc/73/64/77/721736477.db2.gz VXSKUKHTKWVWOT-OAQYLSRUSA-N 1 1 384.474 4.092 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3ccccc3n1)C2 ZINC001164908255 721744488 /nfs/dbraw/zinc/74/44/88/721744488.db2.gz GFEUHTJEWOPHGP-UHFFFAOYSA-N 1 1 384.483 4.418 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3ccccc3n1)C2 ZINC001164908255 721744492 /nfs/dbraw/zinc/74/44/92/721744492.db2.gz GFEUHTJEWOPHGP-UHFFFAOYSA-N 1 1 384.483 4.418 20 0 GIADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1Cl ZINC001164910041 721749518 /nfs/dbraw/zinc/74/95/18/721749518.db2.gz ZDSNLPWTXOFYNB-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1Cl ZINC001164910041 721749522 /nfs/dbraw/zinc/74/95/22/721749522.db2.gz ZDSNLPWTXOFYNB-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO CC(C)Oc1cccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165023498 721815454 /nfs/dbraw/zinc/81/54/54/721815454.db2.gz HFURKHSZFWLGBY-SESVDKBCSA-N 1 1 380.536 4.001 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)c4ccoc43)C[C@@H]21 ZINC001165025961 721817962 /nfs/dbraw/zinc/81/79/62/721817962.db2.gz OMXPJVJLFCONPA-FHLIZLRMSA-N 1 1 397.910 4.008 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nnc(Cl)c4ccoc43)C[C@H]21 ZINC001165025963 721818071 /nfs/dbraw/zinc/81/80/71/721818071.db2.gz OMXPJVJLFCONPA-ZTFGCOKTSA-N 1 1 397.910 4.008 20 0 GIADMO Cc1cc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2s1 ZINC001165024889 721820630 /nfs/dbraw/zinc/82/06/30/721820630.db2.gz KUICLRLRPXKJAW-XKGZKEIXSA-N 1 1 393.560 4.132 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(-c4ccccc4)ncn3)C[C@H]21 ZINC001165029641 721823014 /nfs/dbraw/zinc/82/30/14/721823014.db2.gz XJFRDSFWDMZWTQ-BGWNEDDSSA-N 1 1 399.542 4.276 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)C)n1 ZINC001165021549 721823555 /nfs/dbraw/zinc/82/35/55/721823555.db2.gz GAOMDCVNAMOKKL-TYPHKJRUSA-N 1 1 379.552 4.040 20 0 GIADMO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024493 721830666 /nfs/dbraw/zinc/83/06/66/721830666.db2.gz KHIBFWXPXRGTOZ-RCZSKKKRSA-N 1 1 379.552 4.040 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)c(Cl)cn4)CC3)C2)cc1 ZINC001164938939 721923199 /nfs/dbraw/zinc/92/31/99/721923199.db2.gz CKUKOACEDIHQHF-UHFFFAOYSA-N 1 1 385.939 4.223 20 0 GIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(CCC(=O)OC)Cc2ccco2)nc1 ZINC001165047212 721983009 /nfs/dbraw/zinc/98/30/09/721983009.db2.gz JEXLAECNLGDDPH-FQEVSTJZSA-N 1 1 385.508 4.181 20 0 GIADMO Fc1ccc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc2c1 ZINC001164953767 722016550 /nfs/dbraw/zinc/01/65/50/722016550.db2.gz YWKUNKIARXSJIL-UHFFFAOYSA-N 1 1 376.479 4.261 20 0 GIADMO Cc1cccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)c1 ZINC001164955415 722021589 /nfs/dbraw/zinc/02/15/89/722021589.db2.gz FQMOBERYTAJYNQ-UHFFFAOYSA-N 1 1 399.542 4.340 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)c2ccnc(Cl)n2)C3)c1 ZINC001164991127 722190552 /nfs/dbraw/zinc/19/05/52/722190552.db2.gz ZRKOYMBPBVMCKZ-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)c2ccnc(Cl)n2)C3)c1 ZINC001164991127 722190555 /nfs/dbraw/zinc/19/05/55/722190555.db2.gz ZRKOYMBPBVMCKZ-GOSISDBHSA-N 1 1 396.844 4.059 20 0 GIADMO Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C(C)(C)C)n1 ZINC001164995014 722209471 /nfs/dbraw/zinc/20/94/71/722209471.db2.gz KJTOBRNJTWSPAL-QHCPKHFHSA-N 1 1 382.527 4.467 20 0 GIADMO C[N@@H+](Cc1ccc(N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)nc1)C1CC1 ZINC001165004565 722272110 /nfs/dbraw/zinc/27/21/10/722272110.db2.gz BPAUMKZUFLRLLV-BJKOFHAPSA-N 1 1 391.559 4.292 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000175818769 823047432 /nfs/dbraw/zinc/04/74/32/823047432.db2.gz HDVXHWWCUFBYQD-ZDUSSCGKSA-N 1 1 384.402 4.185 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCCCC2(F)F)cc1 ZINC000458497260 823047673 /nfs/dbraw/zinc/04/76/73/823047673.db2.gz BJCSWUFTUAIBHP-WMLDXEAASA-N 1 1 376.451 4.366 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175824772 823048459 /nfs/dbraw/zinc/04/84/59/823048459.db2.gz XZWUFQLBGUFHPP-UXHICEINSA-N 1 1 386.561 4.073 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC(C(F)F)CC1 ZINC000458509478 823048909 /nfs/dbraw/zinc/04/89/09/823048909.db2.gz PLYNOJMJZDSJBJ-GWFLUQINSA-N 1 1 379.495 4.020 20 0 GIADMO COc1c(Br)cccc1CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187357054 823048998 /nfs/dbraw/zinc/04/89/98/823048998.db2.gz OYGLLODBWARIKQ-ZBFHGGJFSA-N 1 1 381.358 4.200 20 0 GIADMO O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175834980 823050869 /nfs/dbraw/zinc/05/08/69/823050869.db2.gz XMQSNSCLDLEXMQ-UHFFFAOYSA-N 1 1 390.936 4.005 20 0 GIADMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000570542552 823051895 /nfs/dbraw/zinc/05/18/95/823051895.db2.gz QQVQZEXUUDGMNG-GOSISDBHSA-N 1 1 394.544 4.021 20 0 GIADMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000570542552 823051898 /nfs/dbraw/zinc/05/18/98/823051898.db2.gz QQVQZEXUUDGMNG-GOSISDBHSA-N 1 1 394.544 4.021 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CCC(C(F)F)CC2)cc1 ZINC000458533124 823052084 /nfs/dbraw/zinc/05/20/84/823052084.db2.gz NPPBDCYFVIMNRE-NVPAJSRCSA-N 1 1 376.451 4.365 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(SC)cc1 ZINC000175864157 823058527 /nfs/dbraw/zinc/05/85/27/823058527.db2.gz CXWVSECVSWHNCL-OAQYLSRUSA-N 1 1 397.588 4.462 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NCc2nc(-c3ccsc3)no2)C[C@@H](C)O1 ZINC000055869992 823057698 /nfs/dbraw/zinc/05/76/98/823057698.db2.gz JMUHDZONQKWBLX-HUUCEWRRSA-N 1 1 384.505 4.019 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)NC2CCC(C(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000458570421 823057709 /nfs/dbraw/zinc/05/77/09/823057709.db2.gz CNLDFNREDYDALL-KMZOKZLKSA-N 1 1 385.886 4.208 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NC2CCC(C(F)F)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000458570421 823057713 /nfs/dbraw/zinc/05/77/13/823057713.db2.gz CNLDFNREDYDALL-KMZOKZLKSA-N 1 1 385.886 4.208 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H](c3cccc(C(F)(F)F)c3)C3CC3)C2)C1 ZINC000458590866 823060248 /nfs/dbraw/zinc/06/02/48/823060248.db2.gz CYKMPCZKZORLMS-AZUAARDMSA-N 1 1 395.469 4.284 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2scnc2c1 ZINC000175871764 823060286 /nfs/dbraw/zinc/06/02/86/823060286.db2.gz CNNHRIBZDWZGDA-QGZVFWFLSA-N 1 1 380.517 4.282 20 0 GIADMO C[N@@H+]1CC[C@@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000458593609 823060984 /nfs/dbraw/zinc/06/09/84/823060984.db2.gz QKFJDUKDHHWELG-HUUCEWRRSA-N 1 1 389.849 4.069 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)[C@H]1c1ccc(Cl)cc1 ZINC000458593609 823060988 /nfs/dbraw/zinc/06/09/88/823060988.db2.gz QKFJDUKDHHWELG-HUUCEWRRSA-N 1 1 389.849 4.069 20 0 GIADMO C[NH+](C)C[C@H](NC(=O)CCC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000570616058 823062834 /nfs/dbraw/zinc/06/28/34/823062834.db2.gz LLLBUGZXJGWDNV-SFHVURJKSA-N 1 1 394.849 4.000 20 0 GIADMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000055898151 823063772 /nfs/dbraw/zinc/06/37/72/823063772.db2.gz HNYMPDYTKREVHF-SFHVURJKSA-N 1 1 381.501 4.471 20 0 GIADMO C/C=C(\C)C(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000175888396 823064057 /nfs/dbraw/zinc/06/40/57/823064057.db2.gz NWYZBVKDQBIUAV-FZSIALSZSA-N 1 1 380.488 4.167 20 0 GIADMO C/C=C(\C)C(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000175888396 823064062 /nfs/dbraw/zinc/06/40/62/823064062.db2.gz NWYZBVKDQBIUAV-FZSIALSZSA-N 1 1 380.488 4.167 20 0 GIADMO O=C(Nc1c(F)cccc1Cl)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000570630199 823064397 /nfs/dbraw/zinc/06/43/97/823064397.db2.gz PEZPZCJATCNSBO-SJORKVTESA-N 1 1 387.886 4.465 20 0 GIADMO C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1cccc(C(F)(F)F)c1 ZINC000055904327 823064687 /nfs/dbraw/zinc/06/46/87/823064687.db2.gz DFUURQOWHMJUAM-UHFFFAOYSA-N 1 1 382.451 4.174 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000175891739 823064899 /nfs/dbraw/zinc/06/48/99/823064899.db2.gz ODMKGCBNCYVGTF-LEWJYISDSA-N 1 1 384.499 4.436 20 0 GIADMO C[C@H](NC(=O)N1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458622379 823065002 /nfs/dbraw/zinc/06/50/02/823065002.db2.gz BJZDMAFIYTUPEI-ZOFXXKQRSA-N 1 1 389.506 4.400 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000175892839 823065137 /nfs/dbraw/zinc/06/51/37/823065137.db2.gz 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CC(C)c1ccccc1NC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571366627 823172313 /nfs/dbraw/zinc/17/23/13/823172313.db2.gz GACTXVYPUFSVBY-YADHBBJMSA-N 1 1 391.559 4.202 20 0 GIADMO Oc1cccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)c1Br ZINC000459362103 823172342 /nfs/dbraw/zinc/17/23/42/823172342.db2.gz GRFLTYWCODNBLM-CQSZACIVSA-N 1 1 381.339 4.143 20 0 GIADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000188021139 823173034 /nfs/dbraw/zinc/17/30/34/823173034.db2.gz VDGDOFGYJGMBQS-AEFFLSMTSA-N 1 1 382.470 4.217 20 0 GIADMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1csc(Cl)c1 ZINC000188023911 823173416 /nfs/dbraw/zinc/17/34/16/823173416.db2.gz LUKRGZYPQQPWST-INIZCTEOSA-N 1 1 386.908 4.297 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000459373892 823175761 /nfs/dbraw/zinc/17/57/61/823175761.db2.gz IPPQQUOLJONCKI-KRWDZBQOSA-N 1 1 391.519 4.370 20 0 GIADMO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376156 823176520 /nfs/dbraw/zinc/17/65/20/823176520.db2.gz NRHRXTDCZIYIIY-XMSQKQJNSA-N 1 1 381.568 4.222 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376156 823176523 /nfs/dbraw/zinc/17/65/23/823176523.db2.gz NRHRXTDCZIYIIY-XMSQKQJNSA-N 1 1 381.568 4.222 20 0 GIADMO CCN1CC[C@@H]([N@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376156 823176526 /nfs/dbraw/zinc/17/65/26/823176526.db2.gz NRHRXTDCZIYIIY-XMSQKQJNSA-N 1 1 381.568 4.222 20 0 GIADMO CCN1CC[C@@H]([N@@H+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376156 823176528 /nfs/dbraw/zinc/17/65/28/823176528.db2.gz NRHRXTDCZIYIIY-XMSQKQJNSA-N 1 1 381.568 4.222 20 0 GIADMO Oc1cccc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c1Br ZINC000459380471 823177946 /nfs/dbraw/zinc/17/79/46/823177946.db2.gz SXLLZGKLSPTWKN-UHFFFAOYSA-N 1 1 390.199 4.386 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccccn3)cc2)C1 ZINC000056611518 823180755 /nfs/dbraw/zinc/18/07/55/823180755.db2.gz RTOYJDCNVSMOQJ-AUSIDOKSSA-N 1 1 392.547 4.360 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2csc(-c3ccccc3)n2)CCO1 ZINC000459399602 823183837 /nfs/dbraw/zinc/18/38/37/823183837.db2.gz VOYHVYALADCXPT-QGZVFWFLSA-N 1 1 379.529 4.325 20 0 GIADMO OCC[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H]1CCc2ccccc21 ZINC000121434909 823183853 /nfs/dbraw/zinc/18/38/53/823183853.db2.gz ZYVRITXBNHSQON-SFHVURJKSA-N 1 1 395.528 4.159 20 0 GIADMO OCC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H]1CCc2ccccc21 ZINC000121434909 823183858 /nfs/dbraw/zinc/18/38/58/823183858.db2.gz ZYVRITXBNHSQON-SFHVURJKSA-N 1 1 395.528 4.159 20 0 GIADMO C[C@H]1CN(c2ccccc2C[NH2+]Cc2csc(-c3ccccc3)n2)CCO1 ZINC000459399601 823183922 /nfs/dbraw/zinc/18/39/22/823183922.db2.gz VOYHVYALADCXPT-KRWDZBQOSA-N 1 1 379.529 4.325 20 0 GIADMO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459405279 823185424 /nfs/dbraw/zinc/18/54/24/823185424.db2.gz FEEUIMPAMMFZML-RTWAWAEBSA-N 1 1 393.575 4.227 20 0 GIADMO CCOc1cc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)ccc1OC ZINC000056629803 823185566 /nfs/dbraw/zinc/18/55/66/823185566.db2.gz PBPDZLKUZMZVDE-UHFFFAOYSA-N 1 1 389.540 4.214 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc(COCc3ccccc3)cc2)C1 ZINC000459405171 823185641 /nfs/dbraw/zinc/18/56/41/823185641.db2.gz DSIDPXSJTKDFRV-LJQANCHMSA-N 1 1 381.520 4.257 20 0 GIADMO C[C@H](c1ccc(NC(=O)NC2CCC(C(F)F)CC2)cc1)[NH+]1CCOCC1 ZINC000459409195 823186713 /nfs/dbraw/zinc/18/67/13/823186713.db2.gz MSISGSAGNACKIG-MXWWQKGMSA-N 1 1 381.467 4.025 20 0 GIADMO Cc1cccc(Cl)c1NC(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000571464673 823186733 /nfs/dbraw/zinc/18/67/33/823186733.db2.gz CKOGRIMQXRIHIO-HXUWFJFHSA-N 1 1 399.966 4.477 20 0 GIADMO Cc1cccc(Cl)c1NC(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000571464673 823186737 /nfs/dbraw/zinc/18/67/37/823186737.db2.gz CKOGRIMQXRIHIO-HXUWFJFHSA-N 1 1 399.966 4.477 20 0 GIADMO COc1cccc([C@H](C)C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1 ZINC000121449635 823186805 /nfs/dbraw/zinc/18/68/05/823186805.db2.gz IBCQIXARIMORMZ-KSZLIROESA-N 1 1 382.504 4.047 20 0 GIADMO COc1cccc([C@H](C)C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c1 ZINC000121449635 823186808 /nfs/dbraw/zinc/18/68/08/823186808.db2.gz IBCQIXARIMORMZ-KSZLIROESA-N 1 1 382.504 4.047 20 0 GIADMO C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1sccc1Br ZINC000571468866 823187504 /nfs/dbraw/zinc/18/75/04/823187504.db2.gz WYKSZAUOKPHJFX-DOMZBBRYSA-N 1 1 381.339 4.381 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416441 823187933 /nfs/dbraw/zinc/18/79/33/823187933.db2.gz CEWXDGKFUIKGGT-PQNGQFLHSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416441 823187937 /nfs/dbraw/zinc/18/79/37/823187937.db2.gz CEWXDGKFUIKGGT-PQNGQFLHSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416441 823187940 /nfs/dbraw/zinc/18/79/40/823187940.db2.gz CEWXDGKFUIKGGT-PQNGQFLHSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000459416441 823187944 /nfs/dbraw/zinc/18/79/44/823187944.db2.gz CEWXDGKFUIKGGT-PQNGQFLHSA-N 1 1 393.575 4.054 20 0 GIADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459424120 823189655 /nfs/dbraw/zinc/18/96/55/823189655.db2.gz IKVUBQDAHHWAHS-HNNXBMFYSA-N 1 1 386.508 4.045 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000056662024 823192315 /nfs/dbraw/zinc/19/23/15/823192315.db2.gz FRQZAWOEUJVAQG-RBUKOAKNSA-N 1 1 397.567 4.297 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(Cl)nc3Cl)c2)C[C@@H](C)O1 ZINC000121487550 823193365 /nfs/dbraw/zinc/19/33/65/823193365.db2.gz LXSJLSCZJZSZKB-CHWSQXEVSA-N 1 1 394.302 4.250 20 0 GIADMO C[C@H](NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000571509155 823194070 /nfs/dbraw/zinc/19/40/70/823194070.db2.gz YXGURBSWJPTGKT-SFHVURJKSA-N 1 1 391.490 4.373 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1CCc2c1cccc2Cl ZINC000056727014 823200979 /nfs/dbraw/zinc/20/09/79/823200979.db2.gz RRNCDESDDUFMTR-OAQYLSRUSA-N 1 1 399.922 4.024 20 0 GIADMO c1sc(CCc2ccccc2)nc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000459459834 823196525 /nfs/dbraw/zinc/19/65/25/823196525.db2.gz IDDANYCZCPLNDX-UHFFFAOYSA-N 1 1 378.545 4.082 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000459462350 823197194 /nfs/dbraw/zinc/19/71/94/823197194.db2.gz LCPLIPCEBPNXJN-QGZVFWFLSA-N 1 1 377.517 4.378 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)C1 ZINC000188176370 823198101 /nfs/dbraw/zinc/19/81/01/823198101.db2.gz MDTDSODHRYLAMW-INIZCTEOSA-N 1 1 375.513 4.170 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1)CC(F)(F)F ZINC000176398157 823199380 /nfs/dbraw/zinc/19/93/80/823199380.db2.gz RTCLPDIEZALYOI-INIZCTEOSA-N 1 1 396.453 4.116 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cncc4ccccc43)c2)C[C@H](C)O1 ZINC000121526956 823200253 /nfs/dbraw/zinc/20/02/53/823200253.db2.gz BWWMNUDRVDYWQY-IRXDYDNUSA-N 1 1 375.472 4.096 20 0 GIADMO CCc1ccc(-c2noc(C[N@@H+]3CC[C@@H](CN(CC)CC(F)(F)F)C3)n2)cc1 ZINC000176401191 823200251 /nfs/dbraw/zinc/20/02/51/823200251.db2.gz DPUGFFWVGDTTLU-INIZCTEOSA-N 1 1 396.457 4.005 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CSCc1ccc(Br)cc1 ZINC000461265247 823608662 /nfs/dbraw/zinc/60/86/62/823608662.db2.gz PPEGCTCYWKANDC-KRWDZBQOSA-N 1 1 399.398 4.015 20 0 GIADMO CCN(C[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1)CC(F)(F)F ZINC000176406970 823201817 /nfs/dbraw/zinc/20/18/17/823201817.db2.gz UCSSJVCOWINDCU-GJZGRUSLSA-N 1 1 382.430 4.004 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000188201116 823202513 /nfs/dbraw/zinc/20/25/13/823202513.db2.gz VBNCWGXJYMNSRA-GOSISDBHSA-N 1 1 393.531 4.258 20 0 GIADMO C[C@H]1C[C@H](CCNC(=O)c2ccoc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000571575365 823202639 /nfs/dbraw/zinc/20/26/39/823202639.db2.gz GJVRIVSIIUCZDG-HOCLYGCPSA-N 1 1 380.410 4.329 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1COc1ccccc1)c1ccco1 ZINC000056748346 823206471 /nfs/dbraw/zinc/20/64/71/823206471.db2.gz NENXHOQLQNBSBO-HXUWFJFHSA-N 1 1 379.460 4.283 20 0 GIADMO C[C@H](Oc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cn1)c1ccccc1 ZINC000571590431 823204669 /nfs/dbraw/zinc/20/46/69/823204669.db2.gz WZDSXFPHMSNZSB-OALUTQOASA-N 1 1 393.531 4.168 20 0 GIADMO O=C(Nc1cccc(N2CCCCC2)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000056741600 823204707 /nfs/dbraw/zinc/20/47/07/823204707.db2.gz UVHYDYZCQVKOSJ-UHFFFAOYSA-N 1 1 392.547 4.069 20 0 GIADMO Clc1cccc(CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000459506435 823206776 /nfs/dbraw/zinc/20/67/76/823206776.db2.gz KRROTJIHJYHCEO-XMSQKQJNSA-N 1 1 394.906 4.381 20 0 GIADMO C[C@@H](c1cccnc1)[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459502889 823205763 /nfs/dbraw/zinc/20/57/63/823205763.db2.gz GZSHOZMKKMRZDJ-SFHVURJKSA-N 1 1 384.955 4.083 20 0 GIADMO CCCOc1ccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)c(C)c1 ZINC000056747487 823205987 /nfs/dbraw/zinc/20/59/87/823205987.db2.gz YRWYYCDMJZATFM-FQEVSTJZSA-N 1 1 385.508 4.217 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[N@H+](C)C2c3ccccc3-c3ccccc32)c1 ZINC000176434648 823207022 /nfs/dbraw/zinc/20/70/22/823207022.db2.gz RMBYUPRBOCGPTH-UHFFFAOYSA-N 1 1 388.467 4.344 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[N@@H+](C)C2c3ccccc3-c3ccccc32)c1 ZINC000176434648 823207027 /nfs/dbraw/zinc/20/70/27/823207027.db2.gz RMBYUPRBOCGPTH-UHFFFAOYSA-N 1 1 388.467 4.344 20 0 GIADMO Brc1cccc(N[C@H]2CCC[N@@H+](Cc3cnc(C4CC4)nc3)C2)c1 ZINC000459510694 823207800 /nfs/dbraw/zinc/20/78/00/823207800.db2.gz XGHBOWMQMDJLHM-SFHVURJKSA-N 1 1 387.325 4.193 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000571609270 823208301 /nfs/dbraw/zinc/20/83/01/823208301.db2.gz PZYOYUQBOXHUBV-BVYCBKJFSA-N 1 1 399.579 4.160 20 0 GIADMO CN(C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000056761700 823208436 /nfs/dbraw/zinc/20/84/36/823208436.db2.gz SSMHXTHPCFTBPQ-HSZRJFAPSA-N 1 1 393.531 4.103 20 0 GIADMO C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571630267 823212007 /nfs/dbraw/zinc/21/20/07/823212007.db2.gz KKODJPLXTFSSEW-NZSAHSFTSA-N 1 1 394.544 4.313 20 0 GIADMO CC[C@@H](C)Oc1ccc(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000176463008 823212884 /nfs/dbraw/zinc/21/28/84/823212884.db2.gz DUNBHIBNSHQTKI-MRXNPFEDSA-N 1 1 399.535 4.111 20 0 GIADMO Fc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ncc[nH]2)cc1 ZINC000188288683 823214758 /nfs/dbraw/zinc/21/47/58/823214758.db2.gz QMIPUTCCXNPLJQ-BEFAXECRSA-N 1 1 388.849 4.299 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000571663472 823216186 /nfs/dbraw/zinc/21/61/86/823216186.db2.gz WTJOMVNXZXCZOZ-YJBOKZPZSA-N 1 1 393.890 4.092 20 0 GIADMO Cc1ccccc1[C@@H](OC[C@H](O)C[N@@H+](C)CCc1ccccn1)c1ccccc1 ZINC000121625517 823218222 /nfs/dbraw/zinc/21/82/22/823218222.db2.gz CUEUOMSUVNGRIC-NOZRDPDXSA-N 1 1 390.527 4.031 20 0 GIADMO O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1ccc(-n2cccc2)cc1 ZINC000571666475 823216408 /nfs/dbraw/zinc/21/64/08/823216408.db2.gz FMMTWMVBMXAKHU-JOCHJYFZSA-N 1 1 385.467 4.331 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cnc(C(C)(C)C)nc2)c1 ZINC000571669260 823216921 /nfs/dbraw/zinc/21/69/21/823216921.db2.gz BAOPMYRYDZLZCO-UHFFFAOYSA-N 1 1 377.492 4.395 20 0 GIADMO OC[C@@H]1C[N@@H+](Cc2cccc(O)c2Br)C[C@H]1c1ccc(Cl)cc1 ZINC000459558615 823220049 /nfs/dbraw/zinc/22/00/49/823220049.db2.gz GQWZYWDCUMNHJL-HOCLYGCPSA-N 1 1 396.712 4.016 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000459563304 823220702 /nfs/dbraw/zinc/22/07/02/823220702.db2.gz CTKMLRKQZOTZMB-JOCHJYFZSA-N 1 1 399.535 4.148 20 0 GIADMO CSc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1Cl ZINC000176496612 823221108 /nfs/dbraw/zinc/22/11/08/823221108.db2.gz LVSUJGDGVPPBGH-LJQANCHMSA-N 1 1 390.936 4.198 20 0 GIADMO C[C@H]1CN(c2ccccc2C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCO1 ZINC000459564546 823221255 /nfs/dbraw/zinc/22/12/55/823221255.db2.gz FPWRPXUAYBJWMM-SUMWQHHRSA-N 1 1 376.422 4.106 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000459565066 823221649 /nfs/dbraw/zinc/22/16/49/823221649.db2.gz RFWFIZZWTGGIJG-HXUWFJFHSA-N 1 1 378.516 4.115 20 0 GIADMO Cc1nc2sccn2c(=O)c1CC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459571577 823223220 /nfs/dbraw/zinc/22/32/20/823223220.db2.gz GPYRTGUNGOPUQM-LJQANCHMSA-N 1 1 379.529 4.224 20 0 GIADMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)CC[C@H]2C1 ZINC000459570626 823222714 /nfs/dbraw/zinc/22/27/14/823222714.db2.gz MPZXISQFDWKNLZ-WAOWUJCRSA-N 1 1 380.536 4.043 20 0 GIADMO CCN(Cc1ccccc1)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000409460606 823224312 /nfs/dbraw/zinc/22/43/12/823224312.db2.gz UTQQRQNJLQTCRP-JOCHJYFZSA-N 1 1 391.515 4.339 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)c1ccccc1Br ZINC000409462710 823225208 /nfs/dbraw/zinc/22/52/08/823225208.db2.gz HMOHLTJMUPSACB-INIZCTEOSA-N 1 1 395.385 4.498 20 0 GIADMO CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc(Br)c1O ZINC000459585654 823225351 /nfs/dbraw/zinc/22/53/51/823225351.db2.gz VDMXHMVHVIRPHL-DJIMGWMZSA-N 1 1 398.341 4.069 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000409463160 823225368 /nfs/dbraw/zinc/22/53/68/823225368.db2.gz CZRQOXKMCOEXOE-CTNGQTDRSA-N 1 1 397.563 4.252 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(C(F)(F)F)nc2C)CC1 ZINC000571743250 823228476 /nfs/dbraw/zinc/22/84/76/823228476.db2.gz IZELOYNAECHMNE-UHFFFAOYSA-N 1 1 386.462 4.385 20 0 GIADMO CCSc1cccc(Br)c1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000571724885 823225677 /nfs/dbraw/zinc/22/56/77/823225677.db2.gz RKYXFBMFIDELQA-NEPJUHHUSA-N 1 1 386.359 4.117 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cscc3C(F)(F)F)C2)nc1 ZINC000571728608 823226370 /nfs/dbraw/zinc/22/63/70/823226370.db2.gz UKVYKPMYDIFEDB-CYBMUJFWSA-N 1 1 383.439 4.321 20 0 GIADMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459597674 823227201 /nfs/dbraw/zinc/22/72/01/823227201.db2.gz OUSDMQWZDTUGLQ-UHFFFAOYSA-N 1 1 392.551 4.452 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000121698674 823232810 /nfs/dbraw/zinc/23/28/10/823232810.db2.gz MSYINXFMBPCEBJ-JOCHJYFZSA-N 1 1 387.568 4.300 20 0 GIADMO Cc1cc(NC(=O)c2ccsc2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000571749715 823229619 /nfs/dbraw/zinc/22/96/19/823229619.db2.gz TWCBUSIRMSSQGI-SFHVURJKSA-N 1 1 380.517 4.261 20 0 GIADMO COCC1(C)C[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)C1 ZINC000459621396 823231016 /nfs/dbraw/zinc/23/10/16/823231016.db2.gz KLIGQVMRXIIXJC-UHFFFAOYSA-N 1 1 392.341 4.227 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)CC12CCOCC2 ZINC000459631771 823233007 /nfs/dbraw/zinc/23/30/07/823233007.db2.gz BYELGXNHZYZSPW-MRXNPFEDSA-N 1 1 377.834 4.400 20 0 GIADMO CC[C@H](c1nnc(SCCCSC)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000176534267 823231367 /nfs/dbraw/zinc/23/13/67/823231367.db2.gz LJXFBILWZZTWKS-MRXNPFEDSA-N 1 1 380.583 4.134 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1cncc(F)c1 ZINC000459624239 823231553 /nfs/dbraw/zinc/23/15/53/823231553.db2.gz SKHPTIJHNXAKIG-VIFPVBQESA-N 1 1 375.753 4.182 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1 ZINC000176522872 823228565 /nfs/dbraw/zinc/22/85/65/823228565.db2.gz UPSGAECPDPABAJ-NVXWUHKLSA-N 1 1 387.549 4.048 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459633159 823233409 /nfs/dbraw/zinc/23/34/09/823233409.db2.gz DKESZSIGYSUFQG-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1C ZINC000459633159 823233413 /nfs/dbraw/zinc/23/34/13/823233413.db2.gz DKESZSIGYSUFQG-WMZOPIPTSA-N 1 1 398.469 4.311 20 0 GIADMO COc1ccc(C[C@@H](C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000121703914 823233788 /nfs/dbraw/zinc/23/37/88/823233788.db2.gz ZQRZQVUNFZUVOM-QGZVFWFLSA-N 1 1 384.545 4.061 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1nc2c(s1)CCC2 ZINC000459634394 823234130 /nfs/dbraw/zinc/23/41/30/823234130.db2.gz MUHSTZDSXGCDAL-YVEFUNNKSA-N 1 1 377.579 4.248 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1nc2c(s1)CCC2 ZINC000459634391 823234217 /nfs/dbraw/zinc/23/42/17/823234217.db2.gz MUHSTZDSXGCDAL-PXAZEXFGSA-N 1 1 377.579 4.248 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1nc2c(s1)CCC2 ZINC000459634388 823234276 /nfs/dbraw/zinc/23/42/76/823234276.db2.gz MSRFZZBIKPKKFC-OLZOCXBDSA-N 1 1 377.941 4.155 20 0 GIADMO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000121710000 823235071 /nfs/dbraw/zinc/23/50/71/823235071.db2.gz KKWKNRGCUWXBCH-HSZRJFAPSA-N 1 1 395.524 4.141 20 0 GIADMO Cc1ccc(-c2c[nH]cc2C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)s1 ZINC000188407711 823235873 /nfs/dbraw/zinc/23/58/73/823235873.db2.gz ANXAIKOTSOYNAD-UHFFFAOYSA-N 1 1 394.544 4.446 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cs1)c1ccc(F)cc1 ZINC000459641923 823235986 /nfs/dbraw/zinc/23/59/86/823235986.db2.gz YWKMEBUKTATXEY-RHNCMZPLSA-N 1 1 377.485 4.012 20 0 GIADMO COc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1SC ZINC000459647496 823238085 /nfs/dbraw/zinc/23/80/85/823238085.db2.gz GARYNXUXOBOUQU-ZDUSSCGKSA-N 1 1 391.562 4.047 20 0 GIADMO COc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1SC ZINC000459647496 823238089 /nfs/dbraw/zinc/23/80/89/823238089.db2.gz GARYNXUXOBOUQU-ZDUSSCGKSA-N 1 1 391.562 4.047 20 0 GIADMO Cc1ccc(/C=C/CC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000176564710 823238195 /nfs/dbraw/zinc/23/81/95/823238195.db2.gz IFUCDLCDHGGOOG-NSCUHMNNSA-N 1 1 384.470 4.457 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1OCc1cccnc1 ZINC000459649557 823238470 /nfs/dbraw/zinc/23/84/70/823238470.db2.gz MBNZIDNSCYXYHF-HNNXBMFYSA-N 1 1 395.528 4.465 20 0 GIADMO C[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056992936 823238540 /nfs/dbraw/zinc/23/85/40/823238540.db2.gz QHSKRENQWDBCIW-OAHLLOKOSA-N 1 1 383.458 4.254 20 0 GIADMO Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)o2)c(C)o1 ZINC000459650285 823238926 /nfs/dbraw/zinc/23/89/26/823238926.db2.gz XJFFAQNMIHCGRU-OAHLLOKOSA-N 1 1 399.413 4.127 20 0 GIADMO Cc1cc(-c2nnc(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)o2)c(C)o1 ZINC000459650285 823238931 /nfs/dbraw/zinc/23/89/31/823238931.db2.gz XJFFAQNMIHCGRU-OAHLLOKOSA-N 1 1 399.413 4.127 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)CC12CCOCC2 ZINC000459652132 823239514 /nfs/dbraw/zinc/23/95/14/823239514.db2.gz QHSPXOQDDXYREO-INIZCTEOSA-N 1 1 397.466 4.386 20 0 GIADMO CCOc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)ccc1OC ZINC000459652396 823239890 /nfs/dbraw/zinc/23/98/90/823239890.db2.gz QNKWODDYIWNOSZ-GOSISDBHSA-N 1 1 387.442 4.275 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC12CCOCC2 ZINC000459652487 823239923 /nfs/dbraw/zinc/23/99/23/823239923.db2.gz BXVMXUGJKFHATH-IBGZPJMESA-N 1 1 393.453 4.112 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)cnc21 ZINC000459653831 823240254 /nfs/dbraw/zinc/24/02/54/823240254.db2.gz DMHMNAJXNZIKSZ-KRWDZBQOSA-N 1 1 396.457 4.193 20 0 GIADMO Fc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c2ncc[nH]2)cc1 ZINC000188435460 823240472 /nfs/dbraw/zinc/24/04/72/823240472.db2.gz IVGYKSJONGNDGR-HNAYVOBHSA-N 1 1 388.849 4.299 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCNc2cccc(Br)c2)c2ncc[nH]2)cc1 ZINC000188439918 823241220 /nfs/dbraw/zinc/24/12/20/823241220.db2.gz CSPCTDRABHFFND-KRWDZBQOSA-N 1 1 389.272 4.102 20 0 GIADMO CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459656710 823241615 /nfs/dbraw/zinc/24/16/15/823241615.db2.gz HMWYDFRSHVAQHQ-HNNXBMFYSA-N 1 1 379.463 4.179 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c3cc(F)ccc23)CC[N@H+]1Cc1ccccc1 ZINC000176582802 823241722 /nfs/dbraw/zinc/24/17/22/823241722.db2.gz FVFSTJRZVIAVCE-UZLBHIALSA-N 1 1 379.479 4.019 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc(OC)c1OCC(F)F ZINC000459656874 823241754 /nfs/dbraw/zinc/24/17/54/823241754.db2.gz WERMTLJEQFQSKR-NSHDSACASA-N 1 1 398.475 4.144 20 0 GIADMO CCn1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nc2c1cccc2F ZINC000459657565 823242126 /nfs/dbraw/zinc/24/21/26/823242126.db2.gz IGYJCYFXVDMMQT-MRXNPFEDSA-N 1 1 399.432 4.376 20 0 GIADMO CCn1c(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)nc2c1cccc2F ZINC000459657565 823242130 /nfs/dbraw/zinc/24/21/30/823242130.db2.gz IGYJCYFXVDMMQT-MRXNPFEDSA-N 1 1 399.432 4.376 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000176582978 823242114 /nfs/dbraw/zinc/24/21/14/823242114.db2.gz YMZXXORWCHMZGV-ICSRJNTNSA-N 1 1 390.531 4.055 20 0 GIADMO Cc1cc(N2CCC(NC(=O)CCCCCc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000188456768 823243359 /nfs/dbraw/zinc/24/33/59/823243359.db2.gz UTXFDZVUQFDOPH-UHFFFAOYSA-N 1 1 398.526 4.121 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2c(Cl)cccc2OC)cc1Cn1cccn1 ZINC000188461828 823244191 /nfs/dbraw/zinc/24/41/91/823244191.db2.gz ICNNTYWTMMXHQB-HNNXBMFYSA-N 1 1 385.895 4.453 20 0 GIADMO Cc1ccc(C[NH2+]Cc2cc(Br)cc(Br)c2N)nc1C ZINC000459663088 823244697 /nfs/dbraw/zinc/24/46/97/823244697.db2.gz HTRCICXOVUPQKC-UHFFFAOYSA-N 1 1 399.130 4.095 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OC)c(SC)c2)CC1 ZINC000459663834 823244808 /nfs/dbraw/zinc/24/48/08/823244808.db2.gz YQLDZHDIYXWBOB-UHFFFAOYSA-N 1 1 379.570 4.393 20 0 GIADMO CCOCCOc1ccc(Br)cc1C[NH2+]Cc1ccc(C)c(C)n1 ZINC000459668217 823246362 /nfs/dbraw/zinc/24/63/62/823246362.db2.gz MVHMRVRNNXWXBV-UHFFFAOYSA-N 1 1 393.325 4.166 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)CC12CCOCC2 ZINC000459669903 823246698 /nfs/dbraw/zinc/24/66/98/823246698.db2.gz VCTYDFBNQSSQCP-INIZCTEOSA-N 1 1 389.845 4.456 20 0 GIADMO FC(F)Oc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459670786 823247084 /nfs/dbraw/zinc/24/70/84/823247084.db2.gz VXQLJRFOVJZQPL-OAHLLOKOSA-N 1 1 379.369 4.469 20 0 GIADMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459674429 823248025 /nfs/dbraw/zinc/24/80/25/823248025.db2.gz ZCUOUKVVBRGMLX-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459674429 823248028 /nfs/dbraw/zinc/24/80/28/823248028.db2.gz ZCUOUKVVBRGMLX-SJLPKXTDSA-N 1 1 398.469 4.311 20 0 GIADMO FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000188489300 823249517 /nfs/dbraw/zinc/24/95/17/823249517.db2.gz LWZKKOBDNNLMHJ-LPHOPBHVSA-N 1 1 386.421 4.386 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](CC(C)C)c2ccccc2)cn1 ZINC000057127329 823252087 /nfs/dbraw/zinc/25/20/87/823252087.db2.gz QDKDLDDNRIZTMT-HXUWFJFHSA-N 1 1 377.492 4.162 20 0 GIADMO COc1cc(OC)c(C[N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)c(OC)c1 ZINC000571905071 823252178 /nfs/dbraw/zinc/25/21/78/823252178.db2.gz ZOXNTOBOBWQCCV-KRWDZBQOSA-N 1 1 395.503 4.035 20 0 GIADMO CCc1cccc(CC)c1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000409596786 823257776 /nfs/dbraw/zinc/25/77/76/823257776.db2.gz AZLQYAJXSZKRCE-SFHVURJKSA-N 1 1 395.547 4.354 20 0 GIADMO CCc1cccc(CC)c1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000409596786 823257782 /nfs/dbraw/zinc/25/77/82/823257782.db2.gz AZLQYAJXSZKRCE-SFHVURJKSA-N 1 1 395.547 4.354 20 0 GIADMO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000459705306 823254220 /nfs/dbraw/zinc/25/42/20/823254220.db2.gz HXGLIXILXGJCSL-ZDUSSCGKSA-N 1 1 378.822 4.188 20 0 GIADMO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000459705306 823254223 /nfs/dbraw/zinc/25/42/23/823254223.db2.gz HXGLIXILXGJCSL-ZDUSSCGKSA-N 1 1 378.822 4.188 20 0 GIADMO CCOC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000459706724 823254267 /nfs/dbraw/zinc/25/42/67/823254267.db2.gz IYQJTVRFMAGFJH-MRXNPFEDSA-N 1 1 376.522 4.218 20 0 GIADMO CCOC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000459706724 823254269 /nfs/dbraw/zinc/25/42/69/823254269.db2.gz IYQJTVRFMAGFJH-MRXNPFEDSA-N 1 1 376.522 4.218 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000571926013 823255399 /nfs/dbraw/zinc/25/53/99/823255399.db2.gz RLCXMKMEWQOIGP-LJQANCHMSA-N 1 1 385.376 4.411 20 0 GIADMO COc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057153381 823255836 /nfs/dbraw/zinc/25/58/36/823255836.db2.gz XINVQYRHXDSZOK-GMAHTHKFSA-N 1 1 378.516 4.271 20 0 GIADMO O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057152395 823255863 /nfs/dbraw/zinc/25/58/63/823255863.db2.gz IXLQDKCPCPVPEN-QGZVFWFLSA-N 1 1 378.501 4.056 20 0 GIADMO CCOC[C@@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000459719648 823256140 /nfs/dbraw/zinc/25/61/40/823256140.db2.gz RVYJIFXXTMXCML-IBGZPJMESA-N 1 1 387.549 4.024 20 0 GIADMO CCOC[C@@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000459719648 823256146 /nfs/dbraw/zinc/25/61/46/823256146.db2.gz RVYJIFXXTMXCML-IBGZPJMESA-N 1 1 387.549 4.024 20 0 GIADMO COc1ccccc1[C@H](NC(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000121813945 823256668 /nfs/dbraw/zinc/25/66/68/823256668.db2.gz RBADUCUKKIBVCW-JOCHJYFZSA-N 1 1 392.503 4.021 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1SC ZINC000459733431 823258574 /nfs/dbraw/zinc/25/85/74/823258574.db2.gz URUJLPBAVYHRTC-KRWDZBQOSA-N 1 1 399.560 4.403 20 0 GIADMO O=C(c1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1)N1CCCC1 ZINC000121851510 823263017 /nfs/dbraw/zinc/26/30/17/823263017.db2.gz KJFPSWUHKDKAHO-FCHUYYIVSA-N 1 1 396.531 4.384 20 0 GIADMO CC(C)c1nnc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459741538 823259077 /nfs/dbraw/zinc/25/90/77/823259077.db2.gz AJCFRXKNOJZXKL-LEWJYISDSA-N 1 1 394.494 4.090 20 0 GIADMO CCCOc1c(Br)cc(C[NH2+][C@H](C)c2ccn(C)n2)cc1OCC ZINC000459742066 823259148 /nfs/dbraw/zinc/25/91/48/823259148.db2.gz FQAATXFIJAZSIA-CYBMUJFWSA-N 1 1 396.329 4.221 20 0 GIADMO CC(C)(CO)[C@H]([NH2+]Cc1nc2cc(Br)ccc2[nH]1)c1cccs1 ZINC000571962908 823261414 /nfs/dbraw/zinc/26/14/14/823261414.db2.gz GWRWPTIFBGRBGR-MRXNPFEDSA-N 1 1 394.338 4.236 20 0 GIADMO CC(C)(CO)[C@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1cccs1 ZINC000571962908 823261423 /nfs/dbraw/zinc/26/14/23/823261423.db2.gz GWRWPTIFBGRBGR-MRXNPFEDSA-N 1 1 394.338 4.236 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCc2ccc(F)cc2F)cc1 ZINC000571965740 823261664 /nfs/dbraw/zinc/26/16/64/823261664.db2.gz QAVAEHHVYMYQRI-CQSZACIVSA-N 1 1 384.430 4.062 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1)c1ccn(C)n1 ZINC000459770561 823262934 /nfs/dbraw/zinc/26/29/34/823262934.db2.gz YRUYBJJVAVAXEN-IINYFYTJSA-N 1 1 381.320 4.143 20 0 GIADMO COc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1SC ZINC000459775471 823263619 /nfs/dbraw/zinc/26/36/19/823263619.db2.gz QHNJXHILFSZFHE-SFHVURJKSA-N 1 1 399.560 4.403 20 0 GIADMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](c2nccn2C)c2ccccc2)[C@H]1Sc1ccccc1 ZINC000571978188 823264519 /nfs/dbraw/zinc/26/45/19/823264519.db2.gz YTQCSMBEUQRADM-GXRSIYKFSA-N 1 1 393.556 4.437 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000409625104 823264876 /nfs/dbraw/zinc/26/48/76/823264876.db2.gz OGRHNGBIZHXBHG-NEWSRXKRSA-N 1 1 379.495 4.164 20 0 GIADMO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1)c1nccs1 ZINC000571988958 823266064 /nfs/dbraw/zinc/26/60/64/823266064.db2.gz KWHBBWBJYFSALR-IBGZPJMESA-N 1 1 386.565 4.245 20 0 GIADMO CCC[C@H]([NH2+][C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C1CCC1 ZINC000459802472 823266290 /nfs/dbraw/zinc/26/62/90/823266290.db2.gz MLBJDUBSQYVUNZ-JSGCOSHPSA-N 1 1 391.537 4.089 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459807644 823266592 /nfs/dbraw/zinc/26/65/92/823266592.db2.gz NUDWVXWMTREGMQ-SJORKVTESA-N 1 1 376.541 4.355 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000057222168 823266662 /nfs/dbraw/zinc/26/66/62/823266662.db2.gz HFICOFSELWKFCR-UHFFFAOYSA-N 1 1 384.439 4.331 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(C)(C)Cc2cccc(Cl)c2)cc1 ZINC000176683778 823267011 /nfs/dbraw/zinc/26/70/11/823267011.db2.gz YXOCTPVMUOXCGN-UHFFFAOYSA-N 1 1 387.911 4.048 20 0 GIADMO C[C@H](NC(=O)NC[C@H]1CCCC(F)(F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409630743 823267028 /nfs/dbraw/zinc/26/70/28/823267028.db2.gz HIOLMJDFJKWDQR-WDSOQIARSA-N 1 1 379.495 4.022 20 0 GIADMO Cc1nc2ccc(C(=O)Nc3nc4c(s3)C[N@H+](C(C)(C)C)CC4)cc2nc1C ZINC000571995029 823267253 /nfs/dbraw/zinc/26/72/53/823267253.db2.gz HHSCBKAEASZOHH-UHFFFAOYSA-N 1 1 395.532 4.112 20 0 GIADMO CC1CCC(OC2CCN(C(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000572012867 823269257 /nfs/dbraw/zinc/26/92/57/823269257.db2.gz XWBLVUCIAKYEEK-IRQNMHNUSA-N 1 1 384.564 4.095 20 0 GIADMO CC(C)[N@@H+](CCc1nccs1)Cc1cccc(I)c1 ZINC000572023053 823270469 /nfs/dbraw/zinc/27/04/69/823270469.db2.gz HASQGVKLUWJGHA-UHFFFAOYSA-N 1 1 386.302 4.201 20 0 GIADMO CN(Cc1ccccc1N1CCCC1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000409642549 823271082 /nfs/dbraw/zinc/27/10/82/823271082.db2.gz YJNWHEFAVHMXFN-NRFANRHFSA-N 1 1 385.939 4.202 20 0 GIADMO COc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)cs2)cc1 ZINC000572033112 823271814 /nfs/dbraw/zinc/27/18/14/823271814.db2.gz FIGUAVAZPGCDBQ-QGZVFWFLSA-N 1 1 381.501 4.115 20 0 GIADMO COc1ccc(OCc2nc(C[N@H+]3CC[C@@H](c4cccnc4)C3)cs2)cc1 ZINC000572033112 823271815 /nfs/dbraw/zinc/27/18/15/823271815.db2.gz FIGUAVAZPGCDBQ-QGZVFWFLSA-N 1 1 381.501 4.115 20 0 GIADMO c1[nH+]c([C@@H]2CCCN(c3nnc(Cc4ccccc4)s3)C2)n2c1CCCC2 ZINC000409644663 823271826 /nfs/dbraw/zinc/27/18/26/823271826.db2.gz KROMVHOGGTZKMH-QGZVFWFLSA-N 1 1 379.533 4.046 20 0 GIADMO CCCN(C(=O)CCc1nnc(C(C)C)o1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000176711023 823274342 /nfs/dbraw/zinc/27/43/42/823274342.db2.gz VZVRMRZAGBZSMB-HXUWFJFHSA-N 1 1 398.551 4.029 20 0 GIADMO Cc1ccc(NC(=O)C2(C(F)F)CCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000572073076 823277992 /nfs/dbraw/zinc/27/79/92/823277992.db2.gz CMGIFAVFKZVALN-UHFFFAOYSA-N 1 1 393.478 4.183 20 0 GIADMO CC(C)c1csc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000121909830 823275102 /nfs/dbraw/zinc/27/51/02/823275102.db2.gz CVEHMMKVSSEKQN-GOSISDBHSA-N 1 1 386.565 4.073 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cccnc1 ZINC000057286043 823275792 /nfs/dbraw/zinc/27/57/92/823275792.db2.gz IMNPOMSHQZRJPJ-SFHVURJKSA-N 1 1 380.536 4.407 20 0 GIADMO Cc1c([C@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cnn1C ZINC000057285804 823275948 /nfs/dbraw/zinc/27/59/48/823275948.db2.gz JWAQNFZPMMRVAA-KRWDZBQOSA-N 1 1 397.567 4.053 20 0 GIADMO O=C(NCc1cccc(COCC(F)(F)F)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000121917297 823276819 /nfs/dbraw/zinc/27/68/19/823276819.db2.gz UNAMTTZIBKTENW-GOSISDBHSA-N 1 1 398.469 4.036 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)C1 ZINC000572064170 823276947 /nfs/dbraw/zinc/27/69/47/823276947.db2.gz ZCUWKCIEFLCWPE-INIZCTEOSA-N 1 1 396.922 4.139 20 0 GIADMO COc1ccc2c(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)cc(=O)oc2c1 ZINC000121950447 823283381 /nfs/dbraw/zinc/28/33/81/823283381.db2.gz QSMXODLNNVKMEW-XLIONFOSSA-N 1 1 397.471 4.263 20 0 GIADMO COc1cc(-c2ccccc2)sc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121954516 823284295 /nfs/dbraw/zinc/28/42/95/823284295.db2.gz IYCFCCMTDZSDKQ-UHFFFAOYSA-N 1 1 395.528 4.252 20 0 GIADMO CC[C@H](NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccs1 ZINC000460111659 823286761 /nfs/dbraw/zinc/28/67/61/823286761.db2.gz SAUFDPKJIJZDHD-AQNXPRMDSA-N 1 1 383.561 4.363 20 0 GIADMO C[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC000460122067 823288724 /nfs/dbraw/zinc/28/87/24/823288724.db2.gz WTLZLUIEAOKRIH-STZQEDGTSA-N 1 1 395.522 4.093 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000409724899 823291570 /nfs/dbraw/zinc/29/15/70/823291570.db2.gz ZPVOVUHFATWQSX-QFIPXVFZSA-N 1 1 384.495 4.271 20 0 GIADMO CCN(C(=O)Nc1ccc2c(c1)C(=O)CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460124335 823289243 /nfs/dbraw/zinc/28/92/43/823289243.db2.gz JZDUCVGCMNUWLA-NRFANRHFSA-N 1 1 391.515 4.334 20 0 GIADMO Fc1ccc(N2CCC[N@H+](Cc3csc(-c4ccco4)n3)CC2)cc1F ZINC000572143100 823289778 /nfs/dbraw/zinc/28/97/78/823289778.db2.gz IUQKUFGNNPLBCN-UHFFFAOYSA-N 1 1 375.444 4.394 20 0 GIADMO Fc1ccc(N2CCC[N@@H+](Cc3csc(-c4ccco4)n3)CC2)cc1F ZINC000572143100 823289783 /nfs/dbraw/zinc/28/97/83/823289783.db2.gz IUQKUFGNNPLBCN-UHFFFAOYSA-N 1 1 375.444 4.394 20 0 GIADMO FC(F)(F)Oc1ccc(NC(=S)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000007368789 817825721 /nfs/dbraw/zinc/82/57/21/817825721.db2.gz HAOAVENROXPEQI-MRXNPFEDSA-N 1 1 395.450 4.146 20 0 GIADMO COc1ccc(C[NH2+][C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1 ZINC000007388056 817828749 /nfs/dbraw/zinc/82/87/49/817828749.db2.gz VIXZOYRNDCPKNS-QHCPKHFHSA-N 1 1 390.483 4.482 20 0 GIADMO CCN(C(=O)Nc1cccc(OC(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460136298 823292781 /nfs/dbraw/zinc/29/27/81/823292781.db2.gz XZAKYLYNMGCJCC-GOSISDBHSA-N 1 1 389.446 4.416 20 0 GIADMO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000007454220 817845334 /nfs/dbraw/zinc/84/53/34/817845334.db2.gz VWOBAAGPAUEDLV-UHFFFAOYSA-N 1 1 390.911 4.353 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000007454220 817845339 /nfs/dbraw/zinc/84/53/39/817845339.db2.gz VWOBAAGPAUEDLV-UHFFFAOYSA-N 1 1 390.911 4.353 20 0 GIADMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000007453620 817845531 /nfs/dbraw/zinc/84/55/31/817845531.db2.gz NOKGSXSLYKBFQX-CQSZACIVSA-N 1 1 376.884 4.125 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000007453620 817845539 /nfs/dbraw/zinc/84/55/39/817845539.db2.gz NOKGSXSLYKBFQX-CQSZACIVSA-N 1 1 376.884 4.125 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(c3ccnc4c(Br)ccc(F)c34)CC[C@@H]21 ZINC000409731284 823293155 /nfs/dbraw/zinc/29/31/55/823293155.db2.gz YSLZLOBLVUTZCK-DOMZBBRYSA-N 1 1 378.289 4.057 20 0 GIADMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000460138929 823293878 /nfs/dbraw/zinc/29/38/78/823293878.db2.gz MMHMIENRKFAQPW-KZULUSFZSA-N 1 1 382.335 4.228 20 0 GIADMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000460138928 823294018 /nfs/dbraw/zinc/29/40/18/823294018.db2.gz MMHMIENRKFAQPW-KPZWWZAWSA-N 1 1 382.335 4.228 20 0 GIADMO O=C(COc1ccsc1Cl)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572174279 823294637 /nfs/dbraw/zinc/29/46/37/823294637.db2.gz INLDFGLYJDNDCU-QGZVFWFLSA-N 1 1 392.952 4.199 20 0 GIADMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000007664137 817891152 /nfs/dbraw/zinc/89/11/52/817891152.db2.gz GGGPRQZYSLSTPW-CQSZACIVSA-N 1 1 376.884 4.125 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000007664137 817891160 /nfs/dbraw/zinc/89/11/60/817891160.db2.gz GGGPRQZYSLSTPW-CQSZACIVSA-N 1 1 376.884 4.125 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3cc(Cl)ccc3F)CC2)C[C@H](C)O1 ZINC000176807705 823297935 /nfs/dbraw/zinc/29/79/35/823297935.db2.gz HJYQQYRQEGJRCQ-GASCZTMLSA-N 1 1 397.922 4.222 20 0 GIADMO C[C@@H](c1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000460160277 823301732 /nfs/dbraw/zinc/30/17/32/823301732.db2.gz KJDDPIZWTMDXLT-JXFKEZNVSA-N 1 1 382.529 4.298 20 0 GIADMO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000008004173 817979279 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CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000016446307 818443669 /nfs/dbraw/zinc/44/36/69/818443669.db2.gz XXFIQFNDWITMAH-QGZVFWFLSA-N 1 1 395.503 4.008 20 0 GIADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000016446231 818443714 /nfs/dbraw/zinc/44/37/14/818443714.db2.gz LXCYJCMAKQTQGB-SJORKVTESA-N 1 1 395.503 4.006 20 0 GIADMO c1sc2ncnc(N3CC[NH+](Cc4ccccn4)CC3)c2c1-c1ccccc1 ZINC000016738439 818471791 /nfs/dbraw/zinc/47/17/91/818471791.db2.gz XJKQMDACRDZMCU-UHFFFAOYSA-N 1 1 387.512 4.076 20 0 GIADMO c1coc(C[NH+]2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)c1 ZINC000016738746 818472500 /nfs/dbraw/zinc/47/25/00/818472500.db2.gz MRAFUCKIEQYXHD-UHFFFAOYSA-N 1 1 376.485 4.274 20 0 GIADMO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000188994703 823339156 /nfs/dbraw/zinc/33/91/56/823339156.db2.gz RONZTWZDRYRTEN-JOCHJYFZSA-N 1 1 383.442 4.096 20 0 GIADMO CCc1ccccc1NC(=O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843866 823340424 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C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC000189039814 823346383 /nfs/dbraw/zinc/34/63/83/823346383.db2.gz XLPAYDHQQZWVFY-YVEFUNNKSA-N 1 1 396.384 4.018 20 0 GIADMO Fc1ccc(Cn2cc(C[NH2+]Cc3cc(F)ccc3Br)cn2)cc1 ZINC000189055796 823349641 /nfs/dbraw/zinc/34/96/41/823349641.db2.gz XFEZSBAJAFMXMI-UHFFFAOYSA-N 1 1 392.247 4.262 20 0 GIADMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1cccc2nsnc21 ZINC000019096700 818585386 /nfs/dbraw/zinc/58/53/86/818585386.db2.gz MSYGPPFTQCMKGV-GOSISDBHSA-N 1 1 398.488 4.210 20 0 GIADMO C[C@@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189051581 823348684 /nfs/dbraw/zinc/34/86/84/823348684.db2.gz HLQCKQNVHQBYNB-NVXWUHKLSA-N 1 1 392.503 4.206 20 0 GIADMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000057975333 823351845 /nfs/dbraw/zinc/35/18/45/823351845.db2.gz DODQITCZDFDJFD-CQSZACIVSA-N 1 1 393.300 4.240 20 0 GIADMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000057975333 823351852 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4.337 20 0 GIADMO Cc1cc(C(C)(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1Br ZINC000572528964 823354507 /nfs/dbraw/zinc/35/45/07/823354507.db2.gz JTGWJFQFOMVEPZ-MRXNPFEDSA-N 1 1 393.325 4.047 20 0 GIADMO Cc1cccc2ncc(C[N@H+](CCn3ccnc3)Cc3cccc(Cl)c3)n21 ZINC000572526768 823354805 /nfs/dbraw/zinc/35/48/05/823354805.db2.gz LUDNXCOMQIFBAZ-UHFFFAOYSA-N 1 1 379.895 4.195 20 0 GIADMO Cc1cccc2ncc(C[N@@H+](CCn3ccnc3)Cc3cccc(Cl)c3)n21 ZINC000572526768 823354812 /nfs/dbraw/zinc/35/48/12/823354812.db2.gz LUDNXCOMQIFBAZ-UHFFFAOYSA-N 1 1 379.895 4.195 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)CCc3ncc(-c4ccc(C)cc4)o3)sc2C1 ZINC000021296675 818672464 /nfs/dbraw/zinc/67/24/64/818672464.db2.gz POQVXRMLVKKZDW-UHFFFAOYSA-N 1 1 396.516 4.056 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)CCc3ncc(-c4ccc(C)cc4)o3)sc2C1 ZINC000021296675 818672469 /nfs/dbraw/zinc/67/24/69/818672469.db2.gz POQVXRMLVKKZDW-UHFFFAOYSA-N 1 1 396.516 4.056 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000572558816 823360941 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GIADMO O=C(c1ccc(Br)o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000021935519 818757378 /nfs/dbraw/zinc/75/73/78/818757378.db2.gz OUKNDUHZZDJQCW-UHFFFAOYSA-N 1 1 399.288 4.153 20 0 GIADMO Cc1nc(CCCC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000177065666 823362975 /nfs/dbraw/zinc/36/29/75/823362975.db2.gz GGPKHWOVUQVDNW-KXBFYZLASA-N 1 1 377.579 4.035 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000022198482 818781966 /nfs/dbraw/zinc/78/19/66/818781966.db2.gz TYUBFOXEVZBQNR-UHFFFAOYSA-N 1 1 389.293 4.112 20 0 GIADMO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000409988613 823363808 /nfs/dbraw/zinc/36/38/08/823363808.db2.gz XAVXVIRILZXJST-KRWDZBQOSA-N 1 1 389.540 4.032 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000460367118 823365309 /nfs/dbraw/zinc/36/53/09/823365309.db2.gz UZCIDYLLZCFJCO-GUYCJALGSA-N 1 1 379.382 4.002 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000460367118 823365317 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823420902 /nfs/dbraw/zinc/42/09/02/823420902.db2.gz WHTZATBPOFSOFT-OAQYLSRUSA-N 1 1 385.483 4.479 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000572947379 823425297 /nfs/dbraw/zinc/42/52/97/823425297.db2.gz ZWAAQNAONIHBGB-UHFFFAOYSA-N 1 1 399.348 4.100 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)CC(Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000177298654 823425573 /nfs/dbraw/zinc/42/55/73/823425573.db2.gz LMBZKQJNZMHASJ-HYBUGGRVSA-N 1 1 378.560 4.419 20 0 GIADMO Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C(=O)CCC3)[NH+]2CCCC2)o1 ZINC000177303135 823427060 /nfs/dbraw/zinc/42/70/60/823427060.db2.gz RTTDQKWFYDRDRT-IBGZPJMESA-N 1 1 381.476 4.066 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000460552231 823429491 /nfs/dbraw/zinc/42/94/91/823429491.db2.gz VTFCXBMZMOSNEY-AWEZNQCLSA-N 1 1 394.972 4.034 20 0 GIADMO CC[C@H](NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1c(C)nn(C)c1C ZINC000122884585 823428775 /nfs/dbraw/zinc/42/87/75/823428775.db2.gz YGEHEUXDIHAZIS-XOBRGWDASA-N 1 1 394.523 4.043 20 0 GIADMO O=C(Nc1ccc(F)cn1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000122902475 823431698 /nfs/dbraw/zinc/43/16/98/823431698.db2.gz SAZUSIQVLATZNF-UHFFFAOYSA-N 1 1 396.388 4.026 20 0 GIADMO CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460557040 823431914 /nfs/dbraw/zinc/43/19/14/823431914.db2.gz UQMXUPWOFIMFCZ-XMTFNYHQSA-N 1 1 383.458 4.194 20 0 GIADMO Fc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024665218 819862275 /nfs/dbraw/zinc/86/22/75/819862275.db2.gz UJYYTHBBHCGDKP-OAHLLOKOSA-N 1 1 378.407 4.397 20 0 GIADMO Cn1ccc2cccc(NC(=O)Nc3ccccc3C[NH+]3CCSCC3)c21 ZINC000189538805 823440174 /nfs/dbraw/zinc/44/01/74/823440174.db2.gz QDCRAWAWWZQMJC-UHFFFAOYSA-N 1 1 380.517 4.371 20 0 GIADMO CC(=O)N1CC[NH+](Cc2cccc(NCc3cnc(C4CCCC4)s3)c2)CC1 ZINC000189514159 823435158 /nfs/dbraw/zinc/43/51/58/823435158.db2.gz GECXXJBMPUWSIM-UHFFFAOYSA-N 1 1 398.576 4.077 20 0 GIADMO Cc1nc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)sc1C(F)(F)F ZINC000573024342 823435413 /nfs/dbraw/zinc/43/54/13/823435413.db2.gz CVFDMYAQPIBRCV-UHFFFAOYSA-N 1 1 398.454 4.210 20 0 GIADMO O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000573030660 823436851 /nfs/dbraw/zinc/43/68/51/823436851.db2.gz OBJYVYBYYWDZEI-FQEVSTJZSA-N 1 1 397.515 4.111 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000024964715 819901726 /nfs/dbraw/zinc/90/17/26/819901726.db2.gz IMBJZSYNMDVAES-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000024964715 819901734 /nfs/dbraw/zinc/90/17/34/819901734.db2.gz IMBJZSYNMDVAES-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCc4sccc4[C@@H]3C)cc2)C[C@H](C)O1 ZINC000025070808 819919913 /nfs/dbraw/zinc/91/99/13/819919913.db2.gz GDPAXQPPDYICPW-BBWFWOEESA-N 1 1 384.545 4.117 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCc4sccc4[C@@H]3C)cc2)C[C@H](C)O1 ZINC000025070808 819919924 /nfs/dbraw/zinc/91/99/24/819919924.db2.gz GDPAXQPPDYICPW-BBWFWOEESA-N 1 1 384.545 4.117 20 0 GIADMO O=C(c1ocnc1C1CC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000573046118 823439310 /nfs/dbraw/zinc/43/93/10/823439310.db2.gz QBZFLQSVEFPVRZ-UHFFFAOYSA-N 1 1 385.467 4.080 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000025233390 819947731 /nfs/dbraw/zinc/94/77/31/819947731.db2.gz XAFMBPWWVFNMPW-ZDUSSCGKSA-N 1 1 397.327 4.475 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000025233390 819947737 /nfs/dbraw/zinc/94/77/37/819947737.db2.gz XAFMBPWWVFNMPW-ZDUSSCGKSA-N 1 1 397.327 4.475 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1cccc2ccccc21 ZINC000025233236 819948103 /nfs/dbraw/zinc/94/81/03/819948103.db2.gz JYDKVOIMGKXTHY-QGZVFWFLSA-N 1 1 378.497 4.321 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1cccc2ccccc21 ZINC000025233236 819948128 /nfs/dbraw/zinc/94/81/28/819948128.db2.gz JYDKVOIMGKXTHY-QGZVFWFLSA-N 1 1 378.497 4.321 20 0 GIADMO C[C@H](CNC(=O)c1ccccc1C(=O)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000025640331 820010009 /nfs/dbraw/zinc/01/00/09/820010009.db2.gz VDMLGHIINJFEJF-LJQANCHMSA-N 1 1 398.506 4.094 20 0 GIADMO C[C@H](CNC(=O)c1ccccc1C(=O)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000025640331 820010022 /nfs/dbraw/zinc/01/00/22/820010022.db2.gz VDMLGHIINJFEJF-LJQANCHMSA-N 1 1 398.506 4.094 20 0 GIADMO CCCCc1nnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1CC(C)C ZINC000460588493 823445909 /nfs/dbraw/zinc/44/59/09/823445909.db2.gz SYDONYAENLEQRI-UHFFFAOYSA-N 1 1 384.572 4.194 20 0 GIADMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000189572062 823447390 /nfs/dbraw/zinc/44/73/90/823447390.db2.gz SOMJOTFLKCJWSI-IBGZPJMESA-N 1 1 399.966 4.317 20 0 GIADMO Cc1cc(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c(C)n1C1CC1 ZINC000025918437 820038898 /nfs/dbraw/zinc/03/88/98/820038898.db2.gz WDQHAWOJRGPSJW-QHCPKHFHSA-N 1 1 379.548 4.253 20 0 GIADMO CCOCc1nnc(N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1CC(C)C ZINC000460592718 823448010 /nfs/dbraw/zinc/44/80/10/823448010.db2.gz VDDOSYCUWACKSJ-PZJWPPBQSA-N 1 1 399.583 4.132 20 0 GIADMO COc1cc(NC2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cc(OC)c1 ZINC000177371641 823448024 /nfs/dbraw/zinc/44/80/24/823448024.db2.gz RAVUZHGKLRXXNC-UHFFFAOYSA-N 1 1 393.487 4.435 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccc(OC)c(OC)c1 ZINC000025936021 820042323 /nfs/dbraw/zinc/04/23/23/820042323.db2.gz CEULGKNAOMUMGZ-UHFFFAOYSA-N 1 1 376.884 4.208 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(-n3nc(C)cc3C)cc2)cc1OC ZINC000025945917 820043181 /nfs/dbraw/zinc/04/31/81/820043181.db2.gz IILZWUJFCHTCJE-UHFFFAOYSA-N 1 1 379.504 4.447 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)CCCOCc3ccc(OC)cc3)c2C1 ZINC000123019149 823448795 /nfs/dbraw/zinc/44/87/95/823448795.db2.gz RKXGTMJSEJURCX-UHFFFAOYSA-N 1 1 382.504 4.356 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)CCCOCc3ccc(OC)cc3)c2C1 ZINC000123019149 823448798 /nfs/dbraw/zinc/44/87/98/823448798.db2.gz RKXGTMJSEJURCX-UHFFFAOYSA-N 1 1 382.504 4.356 20 0 GIADMO CN(Cc1ccc(Cl)s1)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000026165337 820065587 /nfs/dbraw/zinc/06/55/87/820065587.db2.gz ONHCQCHDAVEUSQ-UHFFFAOYSA-N 1 1 391.968 4.380 20 0 GIADMO O=C(NCc1ccc2c(c1)CCCN2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000573119444 823449859 /nfs/dbraw/zinc/44/98/59/823449859.db2.gz WEPRFIVGDXBVBR-FQEVSTJZSA-N 1 1 392.547 4.168 20 0 GIADMO CN(Cc1ccccc1Cl)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000026165450 820066285 /nfs/dbraw/zinc/06/62/85/820066285.db2.gz AYPXGIHXIBCEEV-UHFFFAOYSA-N 1 1 385.939 4.318 20 0 GIADMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@@H](C)C1 ZINC000573118891 823449872 /nfs/dbraw/zinc/44/98/72/823449872.db2.gz TYBGFHJBBCVHBZ-OFQRWUPVSA-N 1 1 399.398 4.022 20 0 GIADMO COCCc1ccccc1NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000189578773 823449968 /nfs/dbraw/zinc/44/99/68/823449968.db2.gz WRFRODIMHZJQLT-IBGZPJMESA-N 1 1 387.568 4.384 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCCF)c1 ZINC000123027978 823450007 /nfs/dbraw/zinc/45/00/07/823450007.db2.gz GUOQKIYIJLSMJQ-HXUWFJFHSA-N 1 1 399.510 4.411 20 0 GIADMO CCC[N@@H+](C)[C@@H](CNC(=O)Nc1cnn(C(C)C)c1)c1ccc(Cl)cc1 ZINC000573120742 823450227 /nfs/dbraw/zinc/45/02/27/823450227.db2.gz CDYWBXHPJNPZOL-SFHVURJKSA-N 1 1 377.920 4.322 20 0 GIADMO COc1ccc(C2(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CCCC2)cc1 ZINC000058795743 823453443 /nfs/dbraw/zinc/45/34/43/823453443.db2.gz CGLIXTOKPKHMJO-UHFFFAOYSA-N 1 1 392.543 4.072 20 0 GIADMO Cn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1=S ZINC000026234973 820072614 /nfs/dbraw/zinc/07/26/14/820072614.db2.gz UKQJAQGBFOQQQO-QGZVFWFLSA-N 1 1 382.508 4.422 20 0 GIADMO Cn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1=S ZINC000026234973 820072619 /nfs/dbraw/zinc/07/26/19/820072619.db2.gz UKQJAQGBFOQQQO-QGZVFWFLSA-N 1 1 382.508 4.422 20 0 GIADMO Cc1cc(C[NH2+][C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1 ZINC000177388252 823451190 /nfs/dbraw/zinc/45/11/90/823451190.db2.gz ZXISAZOIVCIGIN-FQEVSTJZSA-N 1 1 387.405 4.052 20 0 GIADMO CCOc1cc2c(cc1C[NH2+]Cc1cc3c(cc1OC)C[C@H](C)O3)O[C@@H](C)C2 ZINC000026314322 820081625 /nfs/dbraw/zinc/08/16/25/820081625.db2.gz NNUFPBKXRZSRPN-GJZGRUSLSA-N 1 1 383.488 4.031 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2cccc3ccccc32)cc1 ZINC000026321199 820082638 /nfs/dbraw/zinc/08/26/38/820082638.db2.gz HVDGGRQUPJZFMB-UHFFFAOYSA-N 1 1 376.456 4.087 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000189585875 823452412 /nfs/dbraw/zinc/45/24/12/823452412.db2.gz PGIJOVMJNFZKQC-OAQYLSRUSA-N 1 1 394.446 4.422 20 0 GIADMO COCC[N@H+](CC(=O)Nc1cc2oc3ccccc3c2cc1OC)CC(C)C ZINC000026449948 820098297 /nfs/dbraw/zinc/09/82/97/820098297.db2.gz ATHKNYSDZWKEJL-UHFFFAOYSA-N 1 1 384.476 4.138 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000177394382 823452582 /nfs/dbraw/zinc/45/25/82/823452582.db2.gz MOAQAFFOCFWCBY-SFHVURJKSA-N 1 1 395.528 4.298 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1OC(F)F ZINC000026453259 820099538 /nfs/dbraw/zinc/09/95/38/820099538.db2.gz VXZOHNNYGCTJLQ-OAHLLOKOSA-N 1 1 392.446 4.372 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1OC(F)F ZINC000026453259 820099548 /nfs/dbraw/zinc/09/95/48/820099548.db2.gz VXZOHNNYGCTJLQ-OAHLLOKOSA-N 1 1 392.446 4.372 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1OC(F)F ZINC000026453699 820099570 /nfs/dbraw/zinc/09/95/70/820099570.db2.gz YSRVLHHTONFWIT-HNNXBMFYSA-N 1 1 392.446 4.372 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C)c2C)cc1OC(F)F ZINC000026453699 820099580 /nfs/dbraw/zinc/09/95/80/820099580.db2.gz YSRVLHHTONFWIT-HNNXBMFYSA-N 1 1 392.446 4.372 20 0 GIADMO CCOc1cc(C[N@H+](C)CC(=O)N[C@H](C)c2cccs2)ccc1OC(F)F ZINC000026454708 820100131 /nfs/dbraw/zinc/10/01/31/820100131.db2.gz UIYFFCWTTGFOKM-CYBMUJFWSA-N 1 1 398.475 4.057 20 0 GIADMO CCOc1cc(C[N@@H+](C)CC(=O)N[C@H](C)c2cccs2)ccc1OC(F)F ZINC000026454708 820100138 /nfs/dbraw/zinc/10/01/38/820100138.db2.gz UIYFFCWTTGFOKM-CYBMUJFWSA-N 1 1 398.475 4.057 20 0 GIADMO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123047241 823452742 /nfs/dbraw/zinc/45/27/42/823452742.db2.gz LXZBMSNKPFAZJW-PWSUYJOCSA-N 1 1 385.455 4.178 20 0 GIADMO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000460604751 823452713 /nfs/dbraw/zinc/45/27/13/823452713.db2.gz ZRGJYPLYCYPPFZ-YPVJZLTNSA-N 1 1 398.934 4.054 20 0 GIADMO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)cc1 ZINC000460604751 823452718 /nfs/dbraw/zinc/45/27/18/823452718.db2.gz ZRGJYPLYCYPPFZ-YPVJZLTNSA-N 1 1 398.934 4.054 20 0 GIADMO COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000026478410 820102408 /nfs/dbraw/zinc/10/24/08/820102408.db2.gz BWCSUIIYEJOLKH-QWHCGFSZSA-N 1 1 381.303 4.358 20 0 GIADMO COCCc1ccccc1NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000189594938 823454474 /nfs/dbraw/zinc/45/44/74/823454474.db2.gz SYGMIRHCSJMMHJ-NRFANRHFSA-N 1 1 381.520 4.052 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)NCC3CCCCC3)CC2)c(C)c1 ZINC000026640637 820126455 /nfs/dbraw/zinc/12/64/55/820126455.db2.gz VAWNVWFYOBVFLG-LJQANCHMSA-N 1 1 384.564 4.283 20 0 GIADMO CC(=O)c1ccccc1OCC[NH+]1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000026640719 820126565 /nfs/dbraw/zinc/12/65/65/820126565.db2.gz RPQLXWFSRJRNIX-UHFFFAOYSA-N 1 1 379.500 4.480 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)c(C)c1 ZINC000026642066 820127215 /nfs/dbraw/zinc/12/72/15/820127215.db2.gz LZPPWESFTBRLNN-REWPJTCUSA-N 1 1 396.575 4.379 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000026672875 820130128 /nfs/dbraw/zinc/13/01/28/820130128.db2.gz MXVVLYNTELIRJJ-QGZVFWFLSA-N 1 1 388.895 4.139 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000026672875 820130135 /nfs/dbraw/zinc/13/01/35/820130135.db2.gz MXVVLYNTELIRJJ-QGZVFWFLSA-N 1 1 388.895 4.139 20 0 GIADMO O[C@@H](COc1ccc2ccccc2c1)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000026715725 820136262 /nfs/dbraw/zinc/13/62/62/820136262.db2.gz CCGCACQOQUCTRD-IRLDBZIGSA-N 1 1 397.540 4.322 20 0 GIADMO Cc1ccnc(-c2ccc(NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cc2)n1 ZINC000189604909 823456597 /nfs/dbraw/zinc/45/65/97/823456597.db2.gz MZPLBECEQIOTRF-NHCUHLMSSA-N 1 1 387.487 4.019 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCCCC[C@H]3C[C@@H](C)O)c2)cc1 ZINC000573167835 823458674 /nfs/dbraw/zinc/45/86/74/823458674.db2.gz ZPTVBOWDSBEHCY-GCJKJVERSA-N 1 1 396.531 4.463 20 0 GIADMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000058820688 823458716 /nfs/dbraw/zinc/45/87/16/823458716.db2.gz QMQXYQSJOFCVLX-RBBKRZOGSA-N 1 1 398.934 4.152 20 0 GIADMO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)o1 ZINC000573169963 823458962 /nfs/dbraw/zinc/45/89/62/823458962.db2.gz ACZSHHUQJDVLEK-HNAYVOBHSA-N 1 1 393.487 4.062 20 0 GIADMO CCCC(=O)Nc1nc2ccc(NC(=O)C[N@H+](C)Cc3ccccc3)cc2s1 ZINC000058825729 823460093 /nfs/dbraw/zinc/46/00/93/823460093.db2.gz GXVQWXYPGALWFE-UHFFFAOYSA-N 1 1 396.516 4.105 20 0 GIADMO CCCC(=O)Nc1nc2ccc(NC(=O)C[N@@H+](C)Cc3ccccc3)cc2s1 ZINC000058825729 823460096 /nfs/dbraw/zinc/46/00/96/823460096.db2.gz GXVQWXYPGALWFE-UHFFFAOYSA-N 1 1 396.516 4.105 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc(C(F)(F)F)cc1 ZINC000058848242 823462091 /nfs/dbraw/zinc/46/20/91/823462091.db2.gz WNGTUXACHTXUHK-UHFFFAOYSA-N 1 1 377.410 4.275 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000027280009 820219893 /nfs/dbraw/zinc/21/98/93/820219893.db2.gz OOCDUNSKQDIKLA-XUZZJYLKSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000027280009 820219900 /nfs/dbraw/zinc/21/99/00/820219900.db2.gz OOCDUNSKQDIKLA-XUZZJYLKSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000027280013 820219953 /nfs/dbraw/zinc/21/99/53/820219953.db2.gz OOCDUNSKQDIKLA-ZJSXRUAMSA-N 1 1 394.515 4.108 20 0 GIADMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000027280013 820219957 /nfs/dbraw/zinc/21/99/57/820219957.db2.gz OOCDUNSKQDIKLA-ZJSXRUAMSA-N 1 1 394.515 4.108 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](c2cccnc2)C(C)C)cc1 ZINC000123101777 823462350 /nfs/dbraw/zinc/46/23/50/823462350.db2.gz QZFFLCKLRQMWFO-VGSWGCGISA-N 1 1 391.519 4.376 20 0 GIADMO O=C(CSCc1cccc(Cl)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027333746 820225764 /nfs/dbraw/zinc/22/57/64/820225764.db2.gz MGKRBYUYHORGON-KRWDZBQOSA-N 1 1 378.925 4.120 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027334986 820226444 /nfs/dbraw/zinc/22/64/44/820226444.db2.gz LXHZQUSWUBYSLH-KRWDZBQOSA-N 1 1 399.491 4.418 20 0 GIADMO C[N@@H+](CCNC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C1CC1 ZINC000058857607 823462743 /nfs/dbraw/zinc/46/27/43/823462743.db2.gz OYBABELEUHNMFB-UHFFFAOYSA-N 1 1 397.569 4.292 20 0 GIADMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c2ccc(F)cc2n1 ZINC000027390601 820237789 /nfs/dbraw/zinc/23/77/89/820237789.db2.gz DNQCQOLUKFTBCX-UHFFFAOYSA-N 1 1 391.490 4.339 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027416694 820242033 /nfs/dbraw/zinc/24/20/33/820242033.db2.gz SDJWGFSJUCSYKJ-MRXNPFEDSA-N 1 1 399.922 4.326 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)CCSc2ccnc3cc(Cl)ccc32)CC[N@H+]1C ZINC000177447714 823464158 /nfs/dbraw/zinc/46/41/58/823464158.db2.gz PBBOMRYMGBGEOO-GOEBONIOSA-N 1 1 391.968 4.312 20 0 GIADMO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)c2c1 ZINC000027506835 820254750 /nfs/dbraw/zinc/25/47/50/820254750.db2.gz BFLSMOKOFAGNDP-HNNXBMFYSA-N 1 1 393.472 4.391 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)CCSc2ccnc3cc(Cl)ccc32)CC[N@H+]1C ZINC000177447747 823464549 /nfs/dbraw/zinc/46/45/49/823464549.db2.gz PBBOMRYMGBGEOO-HOCLYGCPSA-N 1 1 391.968 4.312 20 0 GIADMO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000027535709 820256579 /nfs/dbraw/zinc/25/65/79/820256579.db2.gz SALKZQZYNHOJDN-ZDUSSCGKSA-N 1 1 384.829 4.496 20 0 GIADMO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000027535709 820256587 /nfs/dbraw/zinc/25/65/87/820256587.db2.gz SALKZQZYNHOJDN-ZDUSSCGKSA-N 1 1 384.829 4.496 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1F ZINC000027538017 820257794 /nfs/dbraw/zinc/25/77/94/820257794.db2.gz NYOJGDLJHXHIMM-LBPRGKRZSA-N 1 1 384.373 4.312 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1F ZINC000027538017 820257801 /nfs/dbraw/zinc/25/78/01/820257801.db2.gz NYOJGDLJHXHIMM-LBPRGKRZSA-N 1 1 384.373 4.312 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](Cn2c3ccccc3oc2=S)C2CC2)cc1 ZINC000027538990 820257826 /nfs/dbraw/zinc/25/78/26/820257826.db2.gz WWHNAKJQEMOGEW-UHFFFAOYSA-N 1 1 393.512 4.478 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@@H+](Cn2c3ccccc3oc2=S)C2CC2)cc1 ZINC000027538990 820257834 /nfs/dbraw/zinc/25/78/34/820257834.db2.gz WWHNAKJQEMOGEW-UHFFFAOYSA-N 1 1 393.512 4.478 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 ZINC000027570797 820260308 /nfs/dbraw/zinc/26/03/08/820260308.db2.gz NLKJLCXGLPVBSI-VQTJNVASSA-N 1 1 393.531 4.290 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000027569861 820260680 /nfs/dbraw/zinc/26/06/80/820260680.db2.gz BXTFHCJGHRZNFI-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000027569861 820260685 /nfs/dbraw/zinc/26/06/85/820260685.db2.gz BXTFHCJGHRZNFI-MRXNPFEDSA-N 1 1 396.878 4.241 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573438 820261074 /nfs/dbraw/zinc/26/10/74/820261074.db2.gz LWBNIGMJPIQWFM-RTBURBONSA-N 1 1 393.531 4.488 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cnn(-c2ccccc2Cl)c1C(C)C ZINC000189645573 823466249 /nfs/dbraw/zinc/46/62/49/823466249.db2.gz IKRZNDVOUQPDKT-UHFFFAOYSA-N 1 1 399.926 4.316 20 0 GIADMO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000027700984 820277737 /nfs/dbraw/zinc/27/77/37/820277737.db2.gz DUFZVBFEKOURAX-HNNXBMFYSA-N 1 1 391.309 4.095 20 0 GIADMO Cc1ccccc1OCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000027700984 820277742 /nfs/dbraw/zinc/27/77/42/820277742.db2.gz DUFZVBFEKOURAX-HNNXBMFYSA-N 1 1 391.309 4.095 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177457708 823467034 /nfs/dbraw/zinc/46/70/34/823467034.db2.gz BYAFCNHXBZOXNA-NSHGMRRFSA-N 1 1 388.552 4.187 20 0 GIADMO COCc1cccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410339145 823467058 /nfs/dbraw/zinc/46/70/58/823467058.db2.gz WUDZUMDVESOSPA-IBGZPJMESA-N 1 1 395.547 4.207 20 0 GIADMO COc1ccc(CN(C(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000027906199 820295520 /nfs/dbraw/zinc/29/55/20/820295520.db2.gz PCVVDAYOPNJLSU-HSZRJFAPSA-N 1 1 378.516 4.196 20 0 GIADMO CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027952430 820300067 /nfs/dbraw/zinc/30/00/67/820300067.db2.gz JOUHCVJNYOZLLE-IAGOWNOFSA-N 1 1 397.544 4.086 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027952132 820300221 /nfs/dbraw/zinc/30/02/21/820300221.db2.gz UWAQBKXDVVYSEL-IAGOWNOFSA-N 1 1 399.922 4.326 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCn3cccc3[C@H]2C)cc1 ZINC000410343698 823468469 /nfs/dbraw/zinc/46/84/69/823468469.db2.gz HFZZUWHYPIEYSB-RTBURBONSA-N 1 1 380.536 4.149 20 0 GIADMO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1c(C)cc(C)nc1OC ZINC000573232871 823468568 /nfs/dbraw/zinc/46/85/68/823468568.db2.gz XPBRIGQHVUSMKR-ZDUSSCGKSA-N 1 1 379.298 4.329 20 0 GIADMO CCOc1ccccc1C[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000573246330 823469846 /nfs/dbraw/zinc/46/98/46/823469846.db2.gz FWAACRAOVQSNHC-UHFFFAOYSA-N 1 1 391.309 4.308 20 0 GIADMO C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1cc2ccccc2o1 ZINC000028382074 820330869 /nfs/dbraw/zinc/33/08/69/820330869.db2.gz NDJFOAASRVSCSF-LSDHHAIUSA-N 1 1 383.517 4.301 20 0 GIADMO C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1cc2ccccc2o1 ZINC000028382074 820330880 /nfs/dbraw/zinc/33/08/80/820330880.db2.gz NDJFOAASRVSCSF-LSDHHAIUSA-N 1 1 383.517 4.301 20 0 GIADMO CC[C@@H](CNC(=O)N(CC)Cc1cccc(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000028391788 820332308 /nfs/dbraw/zinc/33/23/08/820332308.db2.gz FQRUEMUJEKRNAT-QFIPXVFZSA-N 1 1 383.511 4.194 20 0 GIADMO CC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000410354907 823471808 /nfs/dbraw/zinc/47/18/08/823471808.db2.gz RLCNTOXQPKMYRX-KRWDZBQOSA-N 1 1 379.504 4.443 20 0 GIADMO C[C@H](CCCC(F)(F)F)NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460681939 823477110 /nfs/dbraw/zinc/47/71/10/823477110.db2.gz TWBLZUZJGKDGAX-NZSAHSFTSA-N 1 1 397.485 4.271 20 0 GIADMO CCOc1ccc(C[NH+]2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000028620726 820345745 /nfs/dbraw/zinc/34/57/45/820345745.db2.gz PXTGSTPWSPVOQP-UHFFFAOYSA-N 1 1 388.471 4.097 20 0 GIADMO CCc1nnc(-c2ccc(NC(=O)NCc3cccc(C[N@H+](C)CC)c3)cc2)o1 ZINC000177484104 823473014 /nfs/dbraw/zinc/47/30/14/823473014.db2.gz GHUCUNUIWAOFBG-UHFFFAOYSA-N 1 1 393.491 4.072 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1Cl ZINC000028838322 820362567 /nfs/dbraw/zinc/36/25/67/820362567.db2.gz DEAUDLKLKXTXRX-OAQYLSRUSA-N 1 1 381.907 4.092 20 0 GIADMO CCc1ccc(CN(C)C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000028844569 820363425 /nfs/dbraw/zinc/36/34/25/820363425.db2.gz RPYKOXQKHFVGHA-RTBURBONSA-N 1 1 380.532 4.130 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1OCc1ccccc1C ZINC000058943194 823473605 /nfs/dbraw/zinc/47/36/05/823473605.db2.gz BHJKYKHULHAEQG-QGZVFWFLSA-N 1 1 377.488 4.145 20 0 GIADMO CC(C)c1ccc(CN2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)cc1 ZINC000028881906 820366393 /nfs/dbraw/zinc/36/63/93/820366393.db2.gz DGTKHHCOUXWJCD-UHFFFAOYSA-N 1 1 383.511 4.096 20 0 GIADMO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1cccc2ccccc21 ZINC000028886559 820366874 /nfs/dbraw/zinc/36/68/74/820366874.db2.gz LJSWJBAIELOJLQ-UHFFFAOYSA-N 1 1 379.529 4.048 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000028894701 820368497 /nfs/dbraw/zinc/36/84/97/820368497.db2.gz VGNBEPZLZSZFMK-UHFFFAOYSA-N 1 1 378.394 4.369 20 0 GIADMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1Cl ZINC000028899260 820368998 /nfs/dbraw/zinc/36/89/98/820368998.db2.gz VRMHXAXUUVSIGP-QGZVFWFLSA-N 1 1 385.939 4.443 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000028899270 820369104 /nfs/dbraw/zinc/36/91/04/820369104.db2.gz OPOMZMUDLXGBNP-HXUWFJFHSA-N 1 1 379.548 4.406 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)NCc2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000028899289 820369276 /nfs/dbraw/zinc/36/92/76/820369276.db2.gz YWHQAPJHRZGGEO-HXUWFJFHSA-N 1 1 379.548 4.406 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCc3nc4ccccc4[nH]3)cc2)C1 ZINC000058948653 823474292 /nfs/dbraw/zinc/47/42/92/823474292.db2.gz SKBWBJROBHJGGR-SFHVURJKSA-N 1 1 390.531 4.044 20 0 GIADMO COc1cc(CC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1C ZINC000058949149 823474300 /nfs/dbraw/zinc/47/43/00/823474300.db2.gz QMPDFYYZIPLUDT-SFHVURJKSA-N 1 1 380.532 4.094 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000177488998 823474306 /nfs/dbraw/zinc/47/43/06/823474306.db2.gz CVDRZYNDWOOHSV-RTBURBONSA-N 1 1 389.584 4.006 20 0 GIADMO COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000028954812 820376797 /nfs/dbraw/zinc/37/67/97/820376797.db2.gz LNZXGZNRFMEKMR-VIFPVBQESA-N 1 1 387.288 4.131 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COc1ccc(F)cc1F ZINC000058952680 823475017 /nfs/dbraw/zinc/47/50/17/823475017.db2.gz VPRYZFYAUNMNMI-MRXNPFEDSA-N 1 1 388.458 4.034 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COc1ccc(F)cc1F ZINC000058952681 823475023 /nfs/dbraw/zinc/47/50/23/823475023.db2.gz VPRYZFYAUNMNMI-INIZCTEOSA-N 1 1 388.458 4.034 20 0 GIADMO Cc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cnn1-c1ccccc1C ZINC000029052226 820387763 /nfs/dbraw/zinc/38/77/63/820387763.db2.gz ZIPASQAMANNPIU-OAQYLSRUSA-N 1 1 396.922 4.175 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCCc4occc43)cc2)C1 ZINC000410363491 823475204 /nfs/dbraw/zinc/47/52/04/823475204.db2.gz JDLUKBQRPQPFGC-UWJYYQICSA-N 1 1 381.520 4.388 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc2ccccc2c1 ZINC000029054516 820388034 /nfs/dbraw/zinc/38/80/34/820388034.db2.gz OPLRIDYBEFXMPY-UHFFFAOYSA-N 1 1 384.277 4.068 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc2ccccc2c1 ZINC000029054516 820388045 /nfs/dbraw/zinc/38/80/45/820388045.db2.gz OPLRIDYBEFXMPY-UHFFFAOYSA-N 1 1 384.277 4.068 20 0 GIADMO Fc1ccc(CN2CCC[N@@H+](Cc3cnc(-c4ccccn4)s3)CC2)cc1 ZINC000123182907 823475317 /nfs/dbraw/zinc/47/53/17/823475317.db2.gz ZJQGUYGACUISEL-UHFFFAOYSA-N 1 1 382.508 4.052 20 0 GIADMO Fc1ccc(C[N@@H+]2CCCN(Cc3cnc(-c4ccccn4)s3)CC2)cc1 ZINC000123182907 823475320 /nfs/dbraw/zinc/47/53/20/823475320.db2.gz ZJQGUYGACUISEL-UHFFFAOYSA-N 1 1 382.508 4.052 20 0 GIADMO Fc1ccc(C[N@H+]2CCCN(Cc3cnc(-c4ccccn4)s3)CC2)cc1 ZINC000123182907 823475322 /nfs/dbraw/zinc/47/53/22/823475322.db2.gz ZJQGUYGACUISEL-UHFFFAOYSA-N 1 1 382.508 4.052 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1Cl ZINC000029152561 820400759 /nfs/dbraw/zinc/40/07/59/820400759.db2.gz RXIOUQDKZCLDEE-LBPRGKRZSA-N 1 1 380.847 4.128 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc1Cl ZINC000029152561 820400766 /nfs/dbraw/zinc/40/07/66/820400766.db2.gz RXIOUQDKZCLDEE-LBPRGKRZSA-N 1 1 380.847 4.128 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000058956953 823476057 /nfs/dbraw/zinc/47/60/57/823476057.db2.gz IXAKHOKPESZRBF-INIZCTEOSA-N 1 1 397.906 4.490 20 0 GIADMO C[C@@H](CCc1ccco1)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410365782 823476316 /nfs/dbraw/zinc/47/63/16/823476316.db2.gz MDIKTKWINVZWRB-OALUTQOASA-N 1 1 383.536 4.332 20 0 GIADMO CC(C)=CCOc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000460679059 823476521 /nfs/dbraw/zinc/47/65/21/823476521.db2.gz NTXJDHSSASUYAV-UHFFFAOYSA-N 1 1 378.516 4.380 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1 ZINC000058966050 823476748 /nfs/dbraw/zinc/47/67/48/823476748.db2.gz UDEFKNWCVASWCC-LJQANCHMSA-N 1 1 384.564 4.157 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@H]1CCCc2sccc21 ZINC000123198704 823477610 /nfs/dbraw/zinc/47/76/10/823477610.db2.gz JTNOZSMHWZPYJO-SFHVURJKSA-N 1 1 387.574 4.496 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000410369846 823477807 /nfs/dbraw/zinc/47/78/07/823477807.db2.gz GCKJVRQSNRKKMS-HSZRJFAPSA-N 1 1 379.548 4.444 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000189697526 823477923 /nfs/dbraw/zinc/47/79/23/823477923.db2.gz FPNDRLAVCWFZKB-ROUUACIJSA-N 1 1 377.410 4.358 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3F)cc2)C1 ZINC000410370098 823478066 /nfs/dbraw/zinc/47/80/66/823478066.db2.gz ANGMPFPWIBMTAD-GOSISDBHSA-N 1 1 383.511 4.399 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000189697548 823478095 /nfs/dbraw/zinc/47/80/95/823478095.db2.gz FPNDRLAVCWFZKB-MSOLQXFVSA-N 1 1 377.410 4.358 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000177509376 823479739 /nfs/dbraw/zinc/47/97/39/823479739.db2.gz KJMCEGRSHBKVKD-LBPRGKRZSA-N 1 1 375.847 4.137 20 0 GIADMO Cc1sc(-c2ccco2)nc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000029402786 820450954 /nfs/dbraw/zinc/45/09/54/820450954.db2.gz WHFOLXSFGQLHQR-HNNXBMFYSA-N 1 1 389.908 4.398 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1occc1Br ZINC000177515925 823480244 /nfs/dbraw/zinc/48/02/44/823480244.db2.gz KQAWGACBXWNYOL-INIZCTEOSA-N 1 1 391.309 4.026 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000029479134 820460902 /nfs/dbraw/zinc/46/09/02/820460902.db2.gz TZUPDLREJZBCCY-QHCPKHFHSA-N 1 1 380.532 4.368 20 0 GIADMO COc1cccc(C[N@@H+](CCCCC2CCOCC2)C2CCC(O)CC2)c1 ZINC000410377519 823480625 /nfs/dbraw/zinc/48/06/25/823480625.db2.gz CMYBVHFZLDXBRH-UHFFFAOYSA-N 1 1 375.553 4.398 20 0 GIADMO C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CCc2ccccc21 ZINC000029487417 820462451 /nfs/dbraw/zinc/46/24/51/820462451.db2.gz FEJXCMNGBGQPJS-INIZCTEOSA-N 1 1 377.469 4.364 20 0 GIADMO C[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)[C@H]1CCc2ccccc21 ZINC000029487417 820462459 /nfs/dbraw/zinc/46/24/59/820462459.db2.gz FEJXCMNGBGQPJS-INIZCTEOSA-N 1 1 377.469 4.364 20 0 GIADMO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)[C@H]1CCc2ccccc21 ZINC000029490185 820463385 /nfs/dbraw/zinc/46/33/85/820463385.db2.gz HCHXAACNNDOIQO-DEOSSOPVSA-N 1 1 385.511 4.403 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 ZINC000059004058 823482096 /nfs/dbraw/zinc/48/20/96/823482096.db2.gz ZIMXRVJYBKGORO-UHFFFAOYSA-N 1 1 387.351 4.341 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000029597744 820481779 /nfs/dbraw/zinc/48/17/79/820481779.db2.gz SSKDPDRXVKEFHH-FQEVSTJZSA-N 1 1 380.488 4.357 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000029597744 820481781 /nfs/dbraw/zinc/48/17/81/820481781.db2.gz SSKDPDRXVKEFHH-FQEVSTJZSA-N 1 1 380.488 4.357 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000029615766 820485087 /nfs/dbraw/zinc/48/50/87/820485087.db2.gz JZLHFBCGRCGESD-UONOGXRCSA-N 1 1 376.884 4.343 20 0 GIADMO C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029634820 820488955 /nfs/dbraw/zinc/48/89/55/820488955.db2.gz DANPVWWZLCFRKW-CQSZACIVSA-N 1 1 377.485 4.064 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COCc3ccco3)c2)C1 ZINC000177530567 823483528 /nfs/dbraw/zinc/48/35/28/823483528.db2.gz LKENDNCNIQOCCY-LJQANCHMSA-N 1 1 385.508 4.192 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000460693888 823482877 /nfs/dbraw/zinc/48/28/77/823482877.db2.gz WHRGTJNABDYZDX-NRFANRHFSA-N 1 1 396.556 4.009 20 0 GIADMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC000029655100 820494396 /nfs/dbraw/zinc/49/43/96/820494396.db2.gz BCGIOOXOIWQPLC-GFCCVEGCSA-N 1 1 378.266 4.427 20 0 GIADMO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000029686696 820497726 /nfs/dbraw/zinc/49/77/26/820497726.db2.gz IYTIJIPKPZOBAI-CVEARBPZSA-N 1 1 396.922 4.016 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CC(F)(F)F)C3CCCC3)cc2)C[C@H](C)O1 ZINC000177531965 823483930 /nfs/dbraw/zinc/48/39/30/823483930.db2.gz WFJVFPGXCOYSNH-IYBDPMFKSA-N 1 1 398.469 4.243 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CC(F)(F)F)C3CCCC3)cc2)C[C@H](C)O1 ZINC000177531965 823483933 /nfs/dbraw/zinc/48/39/33/823483933.db2.gz WFJVFPGXCOYSNH-IYBDPMFKSA-N 1 1 398.469 4.243 20 0 GIADMO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1ccccc1Cl ZINC000029699662 820500075 /nfs/dbraw/zinc/50/00/75/820500075.db2.gz LZRDATXKFNVTQI-XJKSGUPXSA-N 1 1 376.847 4.228 20 0 GIADMO C[C@@H]1C[C@H](N(C)CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000123243369 823484276 /nfs/dbraw/zinc/48/42/76/823484276.db2.gz VKBXONIMDZUZIN-STZQEDGTSA-N 1 1 385.596 4.062 20 0 GIADMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000177532964 823484436 /nfs/dbraw/zinc/48/44/36/823484436.db2.gz RZUDYHRCQIOSMI-OCCSQVGLSA-N 1 1 388.265 4.470 20 0 GIADMO CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123246118 823484708 /nfs/dbraw/zinc/48/47/08/823484708.db2.gz YKLZHYQSOZORMD-IERDGZPVSA-N 1 1 377.492 4.429 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc3ccccc3c2)C[C@H](C)O1 ZINC000059058821 823485033 /nfs/dbraw/zinc/48/50/33/823485033.db2.gz LIFHHAMXEGYIEC-KDURUIRLSA-N 1 1 388.511 4.379 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc3ccccc3c2)C[C@H](C)O1 ZINC000059058821 823485036 /nfs/dbraw/zinc/48/50/36/823485036.db2.gz LIFHHAMXEGYIEC-KDURUIRLSA-N 1 1 388.511 4.379 20 0 GIADMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029825041 820524892 /nfs/dbraw/zinc/52/48/92/820524892.db2.gz WFIIYVKORPUAON-MRXNPFEDSA-N 1 1 379.460 4.045 20 0 GIADMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029825041 820524899 /nfs/dbraw/zinc/52/48/99/820524899.db2.gz WFIIYVKORPUAON-MRXNPFEDSA-N 1 1 379.460 4.045 20 0 GIADMO Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029830658 820528154 /nfs/dbraw/zinc/52/81/54/820528154.db2.gz MTTCCNVRRBLIBO-UYAOXDASSA-N 1 1 391.515 4.363 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1C(=O)c1ccccc1 ZINC000029841632 820529982 /nfs/dbraw/zinc/52/99/82/820529982.db2.gz FQMWZKHJJWXPRL-UHFFFAOYSA-N 1 1 398.506 4.096 20 0 GIADMO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000029844851 820531453 /nfs/dbraw/zinc/53/14/53/820531453.db2.gz HUYYTEKGMXDOAD-GOSISDBHSA-N 1 1 393.531 4.064 20 0 GIADMO Cc1cc2cc(NC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)ccc2[nH]1 ZINC000029880125 820539278 /nfs/dbraw/zinc/53/92/78/820539278.db2.gz BGCIKJGVALFPMR-CALCHBBNSA-N 1 1 377.488 4.338 20 0 GIADMO Cc1cc2cc(NC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)ccc2[nH]1 ZINC000029880125 820539285 /nfs/dbraw/zinc/53/92/85/820539285.db2.gz BGCIKJGVALFPMR-CALCHBBNSA-N 1 1 377.488 4.338 20 0 GIADMO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029898360 820543053 /nfs/dbraw/zinc/54/30/53/820543053.db2.gz UIQOMQBPCSSFOC-FQEVSTJZSA-N 1 1 381.451 4.232 20 0 GIADMO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccc(Cl)cn1 ZINC000189761923 823489786 /nfs/dbraw/zinc/48/97/86/823489786.db2.gz YNCJZUUSCUGPPZ-IFXJQAMLSA-N 1 1 375.875 4.106 20 0 GIADMO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccc(Cl)cn1 ZINC000189761923 823489788 /nfs/dbraw/zinc/48/97/88/823489788.db2.gz YNCJZUUSCUGPPZ-IFXJQAMLSA-N 1 1 375.875 4.106 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000059263692 823487624 /nfs/dbraw/zinc/48/76/24/823487624.db2.gz ZCZFIAWEJYGLDE-IBGZPJMESA-N 1 1 395.507 4.072 20 0 GIADMO COc1c(C)ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000029924619 820549327 /nfs/dbraw/zinc/54/93/27/820549327.db2.gz YNLDAMOWIZNSLE-CALCHBBNSA-N 1 1 382.504 4.174 20 0 GIADMO COc1c(C)ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000029924619 820549333 /nfs/dbraw/zinc/54/93/33/820549333.db2.gz YNLDAMOWIZNSLE-CALCHBBNSA-N 1 1 382.504 4.174 20 0 GIADMO COc1c(C)ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000029924622 820549406 /nfs/dbraw/zinc/54/94/06/820549406.db2.gz YNLDAMOWIZNSLE-IRXDYDNUSA-N 1 1 382.504 4.174 20 0 GIADMO O=C(CSc1ccccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029938966 820551399 /nfs/dbraw/zinc/55/13/99/820551399.db2.gz QURZTQUBCFHEBE-MRXNPFEDSA-N 1 1 378.925 4.369 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)[C@@H](c2ccccc2)C1 ZINC000030029956 820571747 /nfs/dbraw/zinc/57/17/47/820571747.db2.gz VDSXZEMLMOWBNN-HXUWFJFHSA-N 1 1 395.503 4.163 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)[C@@H](c2ccccc2)C1 ZINC000030029956 820571751 /nfs/dbraw/zinc/57/17/51/820571751.db2.gz VDSXZEMLMOWBNN-HXUWFJFHSA-N 1 1 395.503 4.163 20 0 GIADMO Cc1ccc2c(c1)[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1C(F)F)CCC2 ZINC000573469275 823493743 /nfs/dbraw/zinc/49/37/43/823493743.db2.gz ZRESNGHXDILCGP-GOSISDBHSA-N 1 1 382.414 4.321 20 0 GIADMO COc1ccccc1COC[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000059375248 823494211 /nfs/dbraw/zinc/49/42/11/823494211.db2.gz MOBJZDSAAMPJPT-GOSISDBHSA-N 1 1 384.303 4.012 20 0 GIADMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000030224201 820589935 /nfs/dbraw/zinc/58/99/35/820589935.db2.gz WMVOHQKXUWYVOG-KNQAVFIVSA-N 1 1 384.545 4.333 20 0 GIADMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1 ZINC000030224201 820589940 /nfs/dbraw/zinc/58/99/40/820589940.db2.gz WMVOHQKXUWYVOG-KNQAVFIVSA-N 1 1 384.545 4.333 20 0 GIADMO COc1cccc(F)c1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000189786912 823494460 /nfs/dbraw/zinc/49/44/60/823494460.db2.gz ZBTDESOYDQCHBJ-YJBOKZPZSA-N 1 1 377.847 4.055 20 0 GIADMO COc1cccc(F)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000189786912 823494462 /nfs/dbraw/zinc/49/44/62/823494462.db2.gz ZBTDESOYDQCHBJ-YJBOKZPZSA-N 1 1 377.847 4.055 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@H+](C)CCCOc3ccc(F)cc3)[nH]c(=O)c2c1C ZINC000030267859 820592569 /nfs/dbraw/zinc/59/25/69/820592569.db2.gz YUBBQIORRDFIKX-CYBMUJFWSA-N 1 1 389.496 4.202 20 0 GIADMO Cc1sc2nc([C@@H](C)[N@@H+](C)CCCOc3ccc(F)cc3)[nH]c(=O)c2c1C ZINC000030267859 820592576 /nfs/dbraw/zinc/59/25/76/820592576.db2.gz YUBBQIORRDFIKX-CYBMUJFWSA-N 1 1 389.496 4.202 20 0 GIADMO O=C(CCc1ccc(-c2ccccc2F)o1)NCC[N@H+]1CCc2ccccc2C1 ZINC000030318184 820600057 /nfs/dbraw/zinc/60/00/57/820600057.db2.gz OPXQSOSDPASACV-UHFFFAOYSA-N 1 1 392.474 4.193 20 0 GIADMO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000059390514 823495064 /nfs/dbraw/zinc/49/50/64/823495064.db2.gz RGNOPZVJSIIOIV-FQEVSTJZSA-N 1 1 388.458 4.392 20 0 GIADMO CCc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cnn1C(CC)CC ZINC000573420093 823491604 /nfs/dbraw/zinc/49/16/04/823491604.db2.gz MFKJGFBTYCFFPS-OAQYLSRUSA-N 1 1 383.540 4.327 20 0 GIADMO CCc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cnn1C(CC)CC ZINC000573420093 823491606 /nfs/dbraw/zinc/49/16/06/823491606.db2.gz MFKJGFBTYCFFPS-OAQYLSRUSA-N 1 1 383.540 4.327 20 0 GIADMO Clc1ccccc1-c1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)no1 ZINC000573429800 823492238 /nfs/dbraw/zinc/49/22/38/823492238.db2.gz BFWKJOQPGREFKQ-HNNXBMFYSA-N 1 1 376.884 4.013 20 0 GIADMO COC[C@H]([NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1)c1ccc(C)o1 ZINC000177565525 823492477 /nfs/dbraw/zinc/49/24/77/823492477.db2.gz BKFCEHXEQCJFHH-IBGZPJMESA-N 1 1 382.460 4.048 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2(c3ccccc3F)CC2)cc1 ZINC000123302604 823493141 /nfs/dbraw/zinc/49/31/41/823493141.db2.gz VFQKVXOCSVFZKF-HNNXBMFYSA-N 1 1 378.451 4.369 20 0 GIADMO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(-c3ccccc3)cc1)C[C@@H]2O ZINC000030588646 820646572 /nfs/dbraw/zinc/64/65/72/820646572.db2.gz OITSNWDTCRHXTG-NRFANRHFSA-N 1 1 375.468 4.420 20 0 GIADMO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C[C@@H]2O ZINC000030588646 820646582 /nfs/dbraw/zinc/64/65/82/820646582.db2.gz OITSNWDTCRHXTG-NRFANRHFSA-N 1 1 375.468 4.420 20 0 GIADMO CC(C)C[C@@H](CNCc1cn(-c2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC000030663770 820660633 /nfs/dbraw/zinc/66/06/33/820660633.db2.gz OGMABXQPJAPFAI-QFIPXVFZSA-N 1 1 377.536 4.000 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177582645 823496035 /nfs/dbraw/zinc/49/60/35/823496035.db2.gz AOUQCOMARLATQP-APWZRJJASA-N 1 1 394.943 4.026 20 0 GIADMO CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000059424227 823496514 /nfs/dbraw/zinc/49/65/14/823496514.db2.gz JMROUIJZNDGYHI-UHFFFAOYSA-N 1 1 396.506 4.078 20 0 GIADMO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189807513 823498433 /nfs/dbraw/zinc/49/84/33/823498433.db2.gz YCIZVYCAIPUJHZ-UHFFFAOYSA-N 1 1 393.487 4.271 20 0 GIADMO C[N@@H+](CCCNC(=O)Cc1csc(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000030937262 820710460 /nfs/dbraw/zinc/71/04/60/820710460.db2.gz CHAXEYNKFMYWOI-UHFFFAOYSA-N 1 1 397.519 4.130 20 0 GIADMO Cc1ccccc1-c1noc(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)n1 ZINC000030972847 820713638 /nfs/dbraw/zinc/71/36/38/820713638.db2.gz RXLJUFMDJNYVEZ-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO CC(C)N(C)C(=O)C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000030977341 820714589 /nfs/dbraw/zinc/71/45/89/820714589.db2.gz DHNOIWFXUQHDFQ-UHFFFAOYSA-N 1 1 375.513 4.028 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3scnc3C(F)(F)F)c2)C[C@H](C)O1 ZINC000410497221 823499701 /nfs/dbraw/zinc/49/97/01/823499701.db2.gz DMWGWVMZRJWHSG-RYUDHWBXSA-N 1 1 399.438 4.023 20 0 GIADMO CC[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccccc1OC ZINC000031106566 820744429 /nfs/dbraw/zinc/74/44/29/820744429.db2.gz WSOODHGKQSOJKH-OAQYLSRUSA-N 1 1 395.547 4.282 20 0 GIADMO C[N@@H+](CCCNC(=O)N[C@@H]1CCSc2c(F)cccc21)Cc1ccccc1 ZINC000031105997 820744470 /nfs/dbraw/zinc/74/44/70/820744470.db2.gz MGRZMGJAVROHLI-LJQANCHMSA-N 1 1 387.524 4.184 20 0 GIADMO CC[C@@H](CNC(=O)c1c[nH]cc1-c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000460762183 823506255 /nfs/dbraw/zinc/50/62/55/823506255.db2.gz BEAHHMJTVLRYTF-NRFANRHFSA-N 1 1 391.490 4.388 20 0 GIADMO CC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000031174522 820759510 /nfs/dbraw/zinc/75/95/10/820759510.db2.gz KYUZVTNTGLNWSF-LJQANCHMSA-N 1 1 380.444 4.012 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000410588512 823505603 /nfs/dbraw/zinc/50/56/03/823505603.db2.gz JQIUCAHCDBEAIA-MOPGFXCFSA-N 1 1 384.545 4.192 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(F)ccc(SCC3CC3)c2F)C1 ZINC000410591078 823505644 /nfs/dbraw/zinc/50/56/44/823505644.db2.gz PMWFDAHINGHDCT-GOEBONIOSA-N 1 1 380.504 4.023 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(OC[C@H]4CCCCO4)CC3)o2)cc1 ZINC000177612224 823501194 /nfs/dbraw/zinc/50/11/94/823501194.db2.gz WQFSIMYDVSIABR-YLJYHZDGSA-N 1 1 385.508 4.156 20 0 GIADMO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)NCc4ccccc4F)CC3)oc21 ZINC000189818989 823501628 /nfs/dbraw/zinc/50/16/28/823501628.db2.gz ZOQWLZLMRWFXAN-MRXNPFEDSA-N 1 1 395.478 4.160 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000060062904 823506374 /nfs/dbraw/zinc/50/63/74/823506374.db2.gz BSBWAXJOCLDFIP-UHFFFAOYSA-N 1 1 381.303 4.140 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCn2ccc3ccccc32)C[C@@H](C)O1 ZINC000059896557 823502219 /nfs/dbraw/zinc/50/22/19/823502219.db2.gz XHVZPSKUIJVTBB-RTBURBONSA-N 1 1 391.515 4.279 20 0 GIADMO C[C@@H]1C[C@H](N(C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000123375768 823502883 /nfs/dbraw/zinc/50/28/83/823502883.db2.gz VOEHSVWJKWGWPU-IDHHARJASA-N 1 1 398.378 4.071 20 0 GIADMO Nc1c(Cl)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000059951253 823503536 /nfs/dbraw/zinc/50/35/36/823503536.db2.gz KEDBDKIOQWRKGZ-CQSZACIVSA-N 1 1 378.303 4.426 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000059959047 823503715 /nfs/dbraw/zinc/50/37/15/823503715.db2.gz NCPYAIPJHBQSPN-UTKZUKDTSA-N 1 1 386.923 4.198 20 0 GIADMO C[C@@H](NC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000059959047 823503720 /nfs/dbraw/zinc/50/37/20/823503720.db2.gz NCPYAIPJHBQSPN-UTKZUKDTSA-N 1 1 386.923 4.198 20 0 GIADMO Cc1ccc(CC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Br ZINC000189855342 823506523 /nfs/dbraw/zinc/50/65/23/823506523.db2.gz ZEWRYQVQDUUTQE-WBVHZDCISA-N 1 1 393.369 4.069 20 0 GIADMO C[C@H]1C[C@@H](CCNC(=O)c2scnc2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000410617299 823506552 /nfs/dbraw/zinc/50/65/52/823506552.db2.gz WTMSCGFMCHYABZ-DZGCQCFKSA-N 1 1 397.466 4.192 20 0 GIADMO Cc1cccc(COc2cccc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)c2)c1 ZINC000060207375 823511787 /nfs/dbraw/zinc/51/17/87/823511787.db2.gz OGYDNOYSAVTVOY-NRFANRHFSA-N 1 1 380.532 4.424 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3nc(C(F)(F)F)cs3)cc2)C[C@H](C)O1 ZINC000031509665 820819394 /nfs/dbraw/zinc/81/93/94/820819394.db2.gz CTOKYLWHNRRVEH-RYUDHWBXSA-N 1 1 399.438 4.023 20 0 GIADMO Cc1sc2[nH]c(C[N@H+](CC(C)(C)O)C3CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000189859934 823507183 /nfs/dbraw/zinc/50/71/83/823507183.db2.gz XQTWKZBPNDGRQW-UHFFFAOYSA-N 1 1 397.544 4.004 20 0 GIADMO Cc1sc2[nH]c(C[N@@H+](CC(C)(C)O)C3CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000189859934 823507186 /nfs/dbraw/zinc/50/71/86/823507186.db2.gz XQTWKZBPNDGRQW-UHFFFAOYSA-N 1 1 397.544 4.004 20 0 GIADMO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031565097 820826723 /nfs/dbraw/zinc/82/67/23/820826723.db2.gz OGKBOARCRBLEDZ-LJQANCHMSA-N 1 1 376.422 4.029 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000060207768 823511908 /nfs/dbraw/zinc/51/19/08/823511908.db2.gz AYBKRTMXLRXMOV-HNNXBMFYSA-N 1 1 387.351 4.389 20 0 GIADMO C[C@H](C1CC1)n1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000189867135 823508101 /nfs/dbraw/zinc/50/81/01/823508101.db2.gz RTBMZVDUFNQMAU-ZNZDAUKMSA-N 1 1 387.915 4.074 20 0 GIADMO C[C@H](C1CC1)n1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000189867135 823508104 /nfs/dbraw/zinc/50/81/04/823508104.db2.gz RTBMZVDUFNQMAU-ZNZDAUKMSA-N 1 1 387.915 4.074 20 0 GIADMO COc1ccc([C@H](C)CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000177656476 823508499 /nfs/dbraw/zinc/50/84/99/823508499.db2.gz WDKIJUJIDRDDCJ-CTNGQTDRSA-N 1 1 380.532 4.169 20 0 GIADMO C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000177656587 823508680 /nfs/dbraw/zinc/50/86/80/823508680.db2.gz VJCNHCKTSMWQFI-DOTOQJQBSA-N 1 1 376.953 4.486 20 0 GIADMO Cc1nc2cc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)ccc2n1-c1ccccc1 ZINC000060207657 823512030 /nfs/dbraw/zinc/51/20/30/823512030.db2.gz GTVSXNORMGQCRG-LJQANCHMSA-N 1 1 390.531 4.184 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ncc(C(F)(F)F)s2)[C@H](C(F)(F)F)C1 ZINC000410749482 823512209 /nfs/dbraw/zinc/51/22/09/823512209.db2.gz PLLJZRGDOCZNIO-HTQZYQBOSA-N 1 1 389.365 4.009 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)C1 ZINC000060207318 823511686 /nfs/dbraw/zinc/51/16/86/823511686.db2.gz KWFNTQODLUMNQP-QGZVFWFLSA-N 1 1 393.531 4.039 20 0 GIADMO Cc1nc([C@@H](C)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000189956647 823517755 /nfs/dbraw/zinc/51/77/55/823517755.db2.gz WBUCZGKOVMVZSF-GDBMZVCRSA-N 1 1 391.943 4.141 20 0 GIADMO CN(C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C1CCN(c2ccccc2)CC1 ZINC000410806818 823515184 /nfs/dbraw/zinc/51/51/84/823515184.db2.gz NRWLVRMQDHCCNB-OAQYLSRUSA-N 1 1 385.939 4.070 20 0 GIADMO CC[C@@H]1CC(=O)N(C[NH+]2CCC(c3nc(-c4ccccc4OC)cs3)CC2)C1 ZINC000189933366 823515287 /nfs/dbraw/zinc/51/52/87/823515287.db2.gz ILNXCQJDNRJIBO-MRXNPFEDSA-N 1 1 399.560 4.214 20 0 GIADMO O=C(CCCc1c[nH]c2ccccc12)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032398821 820933297 /nfs/dbraw/zinc/93/32/97/820933297.db2.gz NUPCBLGLOOVLDN-UHFFFAOYSA-N 1 1 375.516 4.055 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(-c3nncs3)cc2)cc1)C1CC1 ZINC000410814333 823516110 /nfs/dbraw/zinc/51/61/10/823516110.db2.gz RKQJQQHQCWIDDI-UHFFFAOYSA-N 1 1 378.501 4.442 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000189961295 823518177 /nfs/dbraw/zinc/51/81/77/823518177.db2.gz MCNOJEFYXNTVSR-FQEVSTJZSA-N 1 1 387.568 4.481 20 0 GIADMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000123521006 823516991 /nfs/dbraw/zinc/51/69/91/823516991.db2.gz QPLWUMFUVHTCQE-HNNXBMFYSA-N 1 1 380.533 4.230 20 0 GIADMO O=C(CCc1cccc(Cl)c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355380 823519083 /nfs/dbraw/zinc/51/90/83/823519083.db2.gz YVQHIXYXKHVDAX-UHFFFAOYSA-N 1 1 384.951 4.440 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000177742531 823519189 /nfs/dbraw/zinc/51/91/89/823519189.db2.gz JPWHDZMWWGWUEW-GJZGRUSLSA-N 1 1 387.911 4.361 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Cc1coc2cc(C)c(C)cc12)[NH+](C)C ZINC000032694757 820992865 /nfs/dbraw/zinc/99/28/65/820992865.db2.gz ZJPDUMHIPVZKKU-FQEVSTJZSA-N 1 1 380.488 4.020 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccccc2Cl)on1)[NH+](C)C ZINC000032695701 820993329 /nfs/dbraw/zinc/99/33/29/820993329.db2.gz ILRDMAHJNWJBAO-SFHVURJKSA-N 1 1 399.878 4.036 20 0 GIADMO C[C@@H](CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)[N@H+]1CCCC[C@@H]1C ZINC000032737587 821001664 /nfs/dbraw/zinc/00/16/64/821001664.db2.gz OMJUJRSSWYWJAM-IRXDYDNUSA-N 1 1 397.494 4.071 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 ZINC000460818119 823520925 /nfs/dbraw/zinc/52/09/25/823520925.db2.gz PAPQEKSUTIXDJL-UHFFFAOYSA-N 1 1 377.463 4.087 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000032811513 821010522 /nfs/dbraw/zinc/01/05/22/821010522.db2.gz NLLVASDSCSTPMP-SFHVURJKSA-N 1 1 378.394 4.490 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000032811513 821010527 /nfs/dbraw/zinc/01/05/27/821010527.db2.gz NLLVASDSCSTPMP-SFHVURJKSA-N 1 1 378.394 4.490 20 0 GIADMO CC[C@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c(C)noc1C ZINC000123630662 823527566 /nfs/dbraw/zinc/52/75/66/823527566.db2.gz VBRDOUZSKJBHPS-UXHICEINSA-N 1 1 384.524 4.049 20 0 GIADMO CCCCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000060440028 823527774 /nfs/dbraw/zinc/52/77/74/823527774.db2.gz KACCDBLEKGHXAL-UHFFFAOYSA-N 1 1 396.531 4.141 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123634696 823528093 /nfs/dbraw/zinc/52/80/93/823528093.db2.gz QFHGVCVJWLBFMB-YADHBBJMSA-N 1 1 396.556 4.425 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)ccc1Cl ZINC000190004036 823524391 /nfs/dbraw/zinc/52/43/91/823524391.db2.gz IRSCCGCKHMZMBX-GHMZBOCLSA-N 1 1 383.241 4.445 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(-c4ccco4)on3)cc2)C1 ZINC000060414269 823525012 /nfs/dbraw/zinc/52/50/12/823525012.db2.gz DKABWPBYWPMCFK-MRXNPFEDSA-N 1 1 379.460 4.097 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1 ZINC000190010494 823525402 /nfs/dbraw/zinc/52/54/02/823525402.db2.gz KLYIFNJTRLJPLY-KRWDZBQOSA-N 1 1 395.400 4.169 20 0 GIADMO O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000460859094 823530444 /nfs/dbraw/zinc/53/04/44/823530444.db2.gz KABHSXCCYZNIRE-WWNPGLIZSA-N 1 1 396.506 4.074 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000177822512 823531190 /nfs/dbraw/zinc/53/11/90/823531190.db2.gz SDRRPJKPIHDPKS-KGLIPLIRSA-N 1 1 375.925 4.162 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1)Nc1ccccc1 ZINC000060467842 823531510 /nfs/dbraw/zinc/53/15/10/823531510.db2.gz YRRXEEASCPHYPW-SFHVURJKSA-N 1 1 389.446 4.464 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123736620 823536034 /nfs/dbraw/zinc/53/60/34/823536034.db2.gz KKIJVQNYKXMKLY-QRWLVFNGSA-N 1 1 395.305 4.484 20 0 GIADMO CCC(CC)n1ncc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000123720993 823534738 /nfs/dbraw/zinc/53/47/38/823534738.db2.gz QMDAHFRGWKMSQL-UZLBHIALSA-N 1 1 388.581 4.427 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000041488449 821197723 /nfs/dbraw/zinc/19/77/23/821197723.db2.gz HCUKSOCJEYMUHK-UHFFFAOYSA-N 1 1 395.547 4.079 20 0 GIADMO C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Oc2ccccc2)CCN1C ZINC000123741658 823536218 /nfs/dbraw/zinc/53/62/18/823536218.db2.gz SQPHZIZBAHPNMB-RBUKOAKNSA-N 1 1 381.520 4.222 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000177883441 823540915 /nfs/dbraw/zinc/54/09/15/823540915.db2.gz SOAKYRLXLYHQKK-MRXNPFEDSA-N 1 1 397.485 4.110 20 0 GIADMO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2F)c1 ZINC000177883057 823540919 /nfs/dbraw/zinc/54/09/19/823540919.db2.gz FUXRBXJNAZSLKI-GFCCVEGCSA-N 1 1 379.273 4.189 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc3cccnc32)CC1 ZINC000177860528 823537550 /nfs/dbraw/zinc/53/75/50/823537550.db2.gz KQHRUQDQXVLNJV-IBGZPJMESA-N 1 1 394.563 4.421 20 0 GIADMO CCCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OCCC ZINC000177861908 823537919 /nfs/dbraw/zinc/53/79/19/823537919.db2.gz CSZRXWKSTXYNRS-PKOBYXMFSA-N 1 1 391.556 4.458 20 0 GIADMO COCCC1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCCC1 ZINC000123758118 823537992 /nfs/dbraw/zinc/53/79/92/823537992.db2.gz FBMINXWUOXAMAJ-LPHOPBHVSA-N 1 1 396.934 4.185 20 0 GIADMO Cc1c(Br)cccc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190108417 823538072 /nfs/dbraw/zinc/53/80/72/823538072.db2.gz XBHHYQJOCVOGNG-RDJZCZTQSA-N 1 1 393.369 4.069 20 0 GIADMO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000041847306 821236831 /nfs/dbraw/zinc/23/68/31/821236831.db2.gz GRWRNYSHIYPTGG-UHFFFAOYSA-N 1 1 392.421 4.062 20 0 GIADMO CC(C)c1c(C(=O)NCCC[N@H+](C)C(C)C)cnn1-c1cccc(Cl)c1 ZINC000041929283 821246464 /nfs/dbraw/zinc/24/64/64/821246464.db2.gz NVHSTFWSDTYEMH-UHFFFAOYSA-N 1 1 376.932 4.109 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)NCC(c2ccccc2)c2ccccc2)CC1 ZINC000060532534 823539191 /nfs/dbraw/zinc/53/91/91/823539191.db2.gz JWQJUYGSBUHZAX-UHFFFAOYSA-N 1 1 379.548 4.334 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123783737 823540454 /nfs/dbraw/zinc/54/04/54/823540454.db2.gz YUUKOTXEJQGJOL-KBPBESRZSA-N 1 1 385.414 4.313 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123783737 823540457 /nfs/dbraw/zinc/54/04/57/823540457.db2.gz YUUKOTXEJQGJOL-KBPBESRZSA-N 1 1 385.414 4.313 20 0 GIADMO CCC[C@H](NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)c1ccccc1 ZINC000042860120 821339620 /nfs/dbraw/zinc/33/96/20/821339620.db2.gz ODMVXPVFBVIOAX-UPVQGACJSA-N 1 1 380.532 4.090 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000042329048 821301034 /nfs/dbraw/zinc/30/10/34/821301034.db2.gz QACSIOMBRFALQM-INIZCTEOSA-N 1 1 384.520 4.288 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000042329048 821301041 /nfs/dbraw/zinc/30/10/41/821301041.db2.gz QACSIOMBRFALQM-INIZCTEOSA-N 1 1 384.520 4.288 20 0 GIADMO CCc1ccc([C@@H](NC(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c2cccs2)cc1 ZINC000123794833 823541570 /nfs/dbraw/zinc/54/15/70/823541570.db2.gz QHXYYJNCGGVFRM-FDDCHVKYSA-N 1 1 398.572 4.017 20 0 GIADMO CC(C)[C@@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1nc2ccccc2[nH]1 ZINC000043105326 821361363 /nfs/dbraw/zinc/36/13/63/821361363.db2.gz WQPUONRKBLAHNU-FXAWDEMLSA-N 1 1 385.556 4.214 20 0 GIADMO Cc1cccc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000043136584 821366405 /nfs/dbraw/zinc/36/64/05/821366405.db2.gz WEXNCNZFAGVPOR-HDICACEKSA-N 1 1 381.520 4.234 20 0 GIADMO CC[NH+]1CCN(CCCCNC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000043171078 821373190 /nfs/dbraw/zinc/37/31/90/821373190.db2.gz BUDWSFOOHUXYHE-UHFFFAOYSA-N 1 1 388.600 4.473 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000180625733 821373678 /nfs/dbraw/zinc/37/36/78/821373678.db2.gz OAJUGOJSWUGCPU-INIZCTEOSA-N 1 1 382.430 4.180 20 0 GIADMO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000180643958 821379785 /nfs/dbraw/zinc/37/97/85/821379785.db2.gz YICVAMGCYMEOKG-KSSFIOAISA-N 1 1 379.331 4.411 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000180643958 821379798 /nfs/dbraw/zinc/37/97/98/821379798.db2.gz YICVAMGCYMEOKG-KSSFIOAISA-N 1 1 379.331 4.411 20 0 GIADMO Cn1ccnc1[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1Cl ZINC000180653655 821383672 /nfs/dbraw/zinc/38/36/72/821383672.db2.gz CJYRDAPZXAZOHE-LJQANCHMSA-N 1 1 386.952 4.483 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3F)CC2)cc1 ZINC000043275910 821385470 /nfs/dbraw/zinc/38/54/70/821385470.db2.gz GGDKQYLUXXCPPB-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)CCCc3ccccc3)CC2)oc1C ZINC000180678666 821392911 /nfs/dbraw/zinc/39/29/11/821392911.db2.gz HUCMKLMFUYXMNO-SFHVURJKSA-N 1 1 397.563 4.279 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3F)CC2)cc1 ZINC000043450318 821408787 /nfs/dbraw/zinc/40/87/87/821408787.db2.gz PYNCWPHRUVBLLP-UHFFFAOYSA-N 1 1 391.874 4.228 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CCCNC(=O)C(F)(F)F ZINC000180713159 821412089 /nfs/dbraw/zinc/41/20/89/821412089.db2.gz MVLZNGDZOVPGIE-ZDUSSCGKSA-N 1 1 385.455 4.180 20 0 GIADMO COCCCOCC[N@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000180726143 821419545 /nfs/dbraw/zinc/41/95/45/821419545.db2.gz BETNSDMRHLSGJD-GFCCVEGCSA-N 1 1 388.295 4.089 20 0 GIADMO COCCCOCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000180726143 821419570 /nfs/dbraw/zinc/41/95/70/821419570.db2.gz BETNSDMRHLSGJD-GFCCVEGCSA-N 1 1 388.295 4.089 20 0 GIADMO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000180746793 821430856 /nfs/dbraw/zinc/43/08/56/821430856.db2.gz YWOJFXXBLPRAKQ-SFHVURJKSA-N 1 1 398.528 4.180 20 0 GIADMO Cc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000180746793 821430863 /nfs/dbraw/zinc/43/08/63/821430863.db2.gz YWOJFXXBLPRAKQ-SFHVURJKSA-N 1 1 398.528 4.180 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3OCC(F)F)CC2)[nH+]c1 ZINC000180760326 821439348 /nfs/dbraw/zinc/43/93/48/821439348.db2.gz WPFVLJSTBJEPLL-UHFFFAOYSA-N 1 1 393.409 4.028 20 0 GIADMO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000180761248 821439999 /nfs/dbraw/zinc/43/99/99/821439999.db2.gz ZMNQQUOFFZVSKH-IAGOWNOFSA-N 1 1 393.890 4.428 20 0 GIADMO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000180761248 821440004 /nfs/dbraw/zinc/44/00/04/821440004.db2.gz ZMNQQUOFFZVSKH-IAGOWNOFSA-N 1 1 393.890 4.428 20 0 GIADMO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000180761176 821440131 /nfs/dbraw/zinc/44/01/31/821440131.db2.gz ZWMCAEVZTGCMFK-PKOBYXMFSA-N 1 1 393.890 4.048 20 0 GIADMO Cc1cc(CC(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)no1 ZINC000180761176 821440138 /nfs/dbraw/zinc/44/01/38/821440138.db2.gz ZWMCAEVZTGCMFK-PKOBYXMFSA-N 1 1 393.890 4.048 20 0 GIADMO Fc1ccc(-n2cc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)cn2)cc1 ZINC000180800384 821465450 /nfs/dbraw/zinc/46/54/50/821465450.db2.gz MUHFDRLKFAEMNT-KRWDZBQOSA-N 1 1 393.388 4.064 20 0 GIADMO Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180804808 821468236 /nfs/dbraw/zinc/46/82/36/821468236.db2.gz FESWPBVCOLFTOJ-CQSZACIVSA-N 1 1 393.388 4.268 20 0 GIADMO CO[C@@H]1CC[C@H]2OCC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)[C@@H]2C1 ZINC000180812911 821473758 /nfs/dbraw/zinc/47/37/58/821473758.db2.gz WQQZLUJQBVVDDL-KBAYOESNSA-N 1 1 384.303 4.038 20 0 GIADMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)[C@@H]2C1 ZINC000180812911 821473761 /nfs/dbraw/zinc/47/37/61/821473761.db2.gz WQQZLUJQBVVDDL-KBAYOESNSA-N 1 1 384.303 4.038 20 0 GIADMO COc1cc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)ccc1OCc1ccccc1 ZINC000180816952 821477226 /nfs/dbraw/zinc/47/72/26/821477226.db2.gz PFUGXWPHDWDYDL-BHIFYINESA-N 1 1 397.515 4.043 20 0 GIADMO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)ccc1OCc1ccccc1 ZINC000180816952 821477231 /nfs/dbraw/zinc/47/72/31/821477231.db2.gz PFUGXWPHDWDYDL-BHIFYINESA-N 1 1 397.515 4.043 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000180822907 821481725 /nfs/dbraw/zinc/48/17/25/821481725.db2.gz FCNPZIYYVCASPZ-AWEZNQCLSA-N 1 1 395.981 4.248 20 0 GIADMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2sc(Sc3ccccc3)nc2Cl)C1 ZINC000180822907 821481732 /nfs/dbraw/zinc/48/17/32/821481732.db2.gz FCNPZIYYVCASPZ-AWEZNQCLSA-N 1 1 395.981 4.248 20 0 GIADMO Cc1sc2nc([C@H](C)[NH2+][C@H](C)c3ccc(-n4cccn4)cc3)nc(N)c2c1C ZINC000180855642 821496758 /nfs/dbraw/zinc/49/67/58/821496758.db2.gz KJVPWSKJQMIBDL-KGLIPLIRSA-N 1 1 392.532 4.488 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)cs2)c1 ZINC000180862901 821500337 /nfs/dbraw/zinc/50/03/37/821500337.db2.gz QCOVLOIVDXFVPJ-INIZCTEOSA-N 1 1 395.532 4.125 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)cs2)c1 ZINC000180862901 821500341 /nfs/dbraw/zinc/50/03/41/821500341.db2.gz QCOVLOIVDXFVPJ-INIZCTEOSA-N 1 1 395.532 4.125 20 0 GIADMO CNC(=O)c1ccc(C[N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)cc1 ZINC000180882644 821511217 /nfs/dbraw/zinc/51/12/17/821511217.db2.gz IYNXOYSQAXDSNU-UHFFFAOYSA-N 1 1 383.542 4.098 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=S)Nc1cccc(Br)c1 ZINC000044098626 821522824 /nfs/dbraw/zinc/52/28/24/821522824.db2.gz NZKOEGIOARKDKP-CQSZACIVSA-N 1 1 384.387 4.390 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc(OCC(F)(F)F)cc1 ZINC000180943318 821549464 /nfs/dbraw/zinc/54/94/64/821549464.db2.gz ZXRGSKOOEDAEOJ-AWEZNQCLSA-N 1 1 390.409 4.274 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000044251677 821555315 /nfs/dbraw/zinc/55/53/15/821555315.db2.gz SGEJFPIOMJEQDT-MRXNPFEDSA-N 1 1 385.499 4.029 20 0 GIADMO O=C(Nc1cccc(OCC(F)(F)F)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000044310378 821567228 /nfs/dbraw/zinc/56/72/28/821567228.db2.gz OKFHETBOUVJLIM-KRWDZBQOSA-N 1 1 393.409 4.024 20 0 GIADMO C[C@H](CCO)[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000180985478 821575320 /nfs/dbraw/zinc/57/53/20/821575320.db2.gz UAYXJRHOFQMGJK-CQSZACIVSA-N 1 1 381.303 4.205 20 0 GIADMO C[C@H](CCO)[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000180985478 821575327 /nfs/dbraw/zinc/57/53/27/821575327.db2.gz UAYXJRHOFQMGJK-CQSZACIVSA-N 1 1 381.303 4.205 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000044533365 821600999 /nfs/dbraw/zinc/60/09/99/821600999.db2.gz CQJFFZMFQBJLOT-OAHLLOKOSA-N 1 1 389.590 4.206 20 0 GIADMO Cc1ccc([C@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc2)cc1 ZINC000181034613 821604327 /nfs/dbraw/zinc/60/43/27/821604327.db2.gz IUWJXQFKMYHMKV-XMMPIXPASA-N 1 1 375.516 4.210 20 0 GIADMO Cn1cnc(-c2cccc(NC3CC[NH+](Cc4c(F)cccc4Cl)CC3)c2)n1 ZINC000181048859 821610313 /nfs/dbraw/zinc/61/03/13/821610313.db2.gz YJQJCAWBSTVSPV-UHFFFAOYSA-N 1 1 399.901 4.351 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[N@@H+](C)Cc1ccccc1 ZINC000181106333 821635857 /nfs/dbraw/zinc/63/58/57/821635857.db2.gz NHAHDGYKMOZMMR-CYBMUJFWSA-N 1 1 387.434 4.143 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[N@H+](C)Cc1ccccc1 ZINC000181106333 821635858 /nfs/dbraw/zinc/63/58/58/821635858.db2.gz NHAHDGYKMOZMMR-CYBMUJFWSA-N 1 1 387.434 4.143 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[N@@H+](C)Cc1ccccc1 ZINC000181106333 821635861 /nfs/dbraw/zinc/63/58/61/821635861.db2.gz NHAHDGYKMOZMMR-CYBMUJFWSA-N 1 1 387.434 4.143 20 0 GIADMO C[N@@H+](CCCn1ccnc1)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000181108213 821638165 /nfs/dbraw/zinc/63/81/65/821638165.db2.gz KJLZJXPIQIPKFW-UHFFFAOYSA-N 1 1 391.338 4.291 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181108821 821638252 /nfs/dbraw/zinc/63/82/52/821638252.db2.gz LAJRVXCKEAPDBT-SFHVURJKSA-N 1 1 399.445 4.459 20 0 GIADMO CC[N@@H+]1CC[C@H](NC(=O)CCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181155917 821668814 /nfs/dbraw/zinc/66/88/14/821668814.db2.gz PZBMLWXWJCZHSV-RXVVDRJESA-N 1 1 390.886 4.069 20 0 GIADMO CC[N@H+]1CC[C@H](NC(=O)CCc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181155917 821668821 /nfs/dbraw/zinc/66/88/21/821668821.db2.gz PZBMLWXWJCZHSV-RXVVDRJESA-N 1 1 390.886 4.069 20 0 GIADMO Clc1ccc(-n2cc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)nn2)cc1 ZINC000181191720 821687564 /nfs/dbraw/zinc/68/75/64/821687564.db2.gz PZXIKAGOVMGDTQ-HRAATJIYSA-N 1 1 382.895 4.178 20 0 GIADMO CC[NH+](CC)[C@H](CN[C@@H](C)c1cnc2cc(C)nn2c1C)c1cccc(OC)c1 ZINC000181192233 821687586 /nfs/dbraw/zinc/68/75/86/821687586.db2.gz FKWNEDQFGNHIRH-HTAPYJJXSA-N 1 1 395.551 4.088 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)c2ccccc2)cc1OC ZINC000045004345 821688912 /nfs/dbraw/zinc/68/89/12/821688912.db2.gz YEFSALJCZPWJQA-FXAWDEMLSA-N 1 1 382.504 4.060 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)[C@@H](C)c2ccccc2)cc1OC ZINC000045004345 821688917 /nfs/dbraw/zinc/68/89/17/821688917.db2.gz YEFSALJCZPWJQA-FXAWDEMLSA-N 1 1 382.504 4.060 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)N3CCCC3)cc2)cc1OC ZINC000045004662 821689791 /nfs/dbraw/zinc/68/97/91/821689791.db2.gz ALNGGZGIYMAOME-OAQYLSRUSA-N 1 1 394.515 4.277 20 0 GIADMO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)cc1 ZINC000181247789 821717232 /nfs/dbraw/zinc/71/72/32/821717232.db2.gz BLTCZNPGWCIXAS-OPAMFIHVSA-N 1 1 382.298 4.103 20 0 GIADMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)CC1 ZINC000181314250 821752536 /nfs/dbraw/zinc/75/25/36/821752536.db2.gz XBYWCITYZLNTDY-UHFFFAOYSA-N 1 1 397.563 4.218 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000181367059 821791127 /nfs/dbraw/zinc/79/11/27/821791127.db2.gz AKCKTVDSQLOXBD-OAHLLOKOSA-N 1 1 379.435 4.458 20 0 GIADMO Cn1c(C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)nnc1C1CCC1 ZINC000181373630 821793839 /nfs/dbraw/zinc/79/38/39/821793839.db2.gz FCDNOKSWBPZEMF-UHFFFAOYSA-N 1 1 389.341 4.009 20 0 GIADMO Cn1c(C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)nnc1C1CCC1 ZINC000181373630 821793845 /nfs/dbraw/zinc/79/38/45/821793845.db2.gz FCDNOKSWBPZEMF-UHFFFAOYSA-N 1 1 389.341 4.009 20 0 GIADMO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1nc2c(s1)CCCC2 ZINC000181392564 821802675 /nfs/dbraw/zinc/80/26/75/821802675.db2.gz VBUSRMXXQQHAPD-NHYWBVRUSA-N 1 1 381.339 4.169 20 0 GIADMO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000181417222 821815273 /nfs/dbraw/zinc/81/52/73/821815273.db2.gz DZYZSKAZFPTOSC-ZCNNSNEGSA-N 1 1 395.385 4.258 20 0 GIADMO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000181417222 821815283 /nfs/dbraw/zinc/81/52/83/821815283.db2.gz DZYZSKAZFPTOSC-ZCNNSNEGSA-N 1 1 395.385 4.258 20 0 GIADMO COCCC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(Br)cc1 ZINC000181422682 821818737 /nfs/dbraw/zinc/81/87/37/821818737.db2.gz BUSVJZQZDVRBTN-FZKQIMNGSA-N 1 1 380.330 4.169 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)o1 ZINC000181431975 821823385 /nfs/dbraw/zinc/82/33/85/821823385.db2.gz KWSDICZBSPQIDC-CVEARBPZSA-N 1 1 387.549 4.023 20 0 GIADMO C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181445913 821829257 /nfs/dbraw/zinc/82/92/57/821829257.db2.gz UNKHAXJRWFGFMI-NQIIRXRSSA-N 1 1 393.531 4.043 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCc1ccncc1)c1ccc(Cl)cc1Cl ZINC000181451973 821832005 /nfs/dbraw/zinc/83/20/05/821832005.db2.gz RBTQTTYBIIHDAG-KBPBESRZSA-N 1 1 380.319 4.129 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)o2)cc1 ZINC000181459272 821836036 /nfs/dbraw/zinc/83/60/36/821836036.db2.gz PDTONNBMSOKMAD-QUCCMNQESA-N 1 1 395.547 4.352 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(OCc2nccn2C)cc1 ZINC000181479263 821844535 /nfs/dbraw/zinc/84/45/35/821844535.db2.gz VWTPQIOEKGVPBS-QGZVFWFLSA-N 1 1 379.508 4.162 20 0 GIADMO O=C(CCc1cscn1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181496448 821853227 /nfs/dbraw/zinc/85/32/27/821853227.db2.gz OZIJWLKMTWRPSS-UHFFFAOYSA-N 1 1 398.359 4.163 20 0 GIADMO O=C(C[C@H]1CCCCO1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181497388 821854327 /nfs/dbraw/zinc/85/43/27/821854327.db2.gz NKQNGWKOANDWKB-GOSISDBHSA-N 1 1 385.335 4.033 20 0 GIADMO O=C(CC[C@H]1CCCCO1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181498524 821854787 /nfs/dbraw/zinc/85/47/87/821854787.db2.gz XMGKIHVTZWQERF-LJQANCHMSA-N 1 1 399.362 4.423 20 0 GIADMO Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c12 ZINC000181517783 821863778 /nfs/dbraw/zinc/86/37/78/821863778.db2.gz BIEWLFDADBNECH-GDBMZVCRSA-N 1 1 384.524 4.037 20 0 GIADMO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2F)n1 ZINC000181530046 821868035 /nfs/dbraw/zinc/86/80/35/821868035.db2.gz ABTXQAVBPKWBGM-PKOBYXMFSA-N 1 1 398.526 4.011 20 0 GIADMO C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181537933 821872590 /nfs/dbraw/zinc/87/25/90/821872590.db2.gz FGAJTLDBPIASBU-IEZWGBDMSA-N 1 1 382.470 4.492 20 0 GIADMO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1cc(C)ccc1C ZINC000181549120 821877102 /nfs/dbraw/zinc/87/71/02/821877102.db2.gz POAICJKSLKQRQO-QUCCMNQESA-N 1 1 394.563 4.180 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000181551868 821877762 /nfs/dbraw/zinc/87/77/62/821877762.db2.gz YMOWQBGOQVLMSK-UHFFFAOYSA-N 1 1 385.895 4.178 20 0 GIADMO Cn1cc(C[NH2+][C@H]2CCc3c2c(Br)ccc3F)c(C(F)(F)F)n1 ZINC000181581804 821888476 /nfs/dbraw/zinc/88/84/76/821888476.db2.gz SGCJQNCRMPAROW-LBPRGKRZSA-N 1 1 392.194 4.118 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)CC1 ZINC000181589059 821892204 /nfs/dbraw/zinc/89/22/04/821892204.db2.gz UGFRWDNCSDNVDZ-UHFFFAOYSA-N 1 1 394.397 4.062 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Br)cc2)C2CC2)n1 ZINC000181595911 821896003 /nfs/dbraw/zinc/89/60/03/821896003.db2.gz YJIYFABTAOCXMI-IAQYHMDHSA-N 1 1 394.338 4.282 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)C2CC2)n1 ZINC000181602358 821898469 /nfs/dbraw/zinc/89/84/69/821898469.db2.gz QOBDJFBZBJBYJH-IAQYHMDHSA-N 1 1 381.448 4.121 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000181625256 821909519 /nfs/dbraw/zinc/90/95/19/821909519.db2.gz MYVMKFFDGSUNHS-KRWDZBQOSA-N 1 1 379.913 4.101 20 0 GIADMO C[C@H](NC(=O)c1cc(Cl)ccc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181635239 821915049 /nfs/dbraw/zinc/91/50/49/821915049.db2.gz QAHIQHLRKFCIKM-QWHCGFSZSA-N 1 1 386.870 4.324 20 0 GIADMO C[C@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181635917 821915656 /nfs/dbraw/zinc/91/56/56/821915656.db2.gz JHGNYKBUOBDWSO-HOTGVXAUSA-N 1 1 376.491 4.156 20 0 GIADMO C[C@@H](NC(=O)c1ncoc1-c1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181638516 821917025 /nfs/dbraw/zinc/91/70/25/821917025.db2.gz YBAFXNYILNXQDN-CABCVRRESA-N 1 1 387.911 4.378 20 0 GIADMO C[C@H](NC(=O)CSc1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181639909 821918416 /nfs/dbraw/zinc/91/84/16/821918416.db2.gz YBWIOFFTIQCUFF-GJZGRUSLSA-N 1 1 389.590 4.158 20 0 GIADMO C[C@H](NC(=O)c1cc(Cl)ccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181640326 821918436 /nfs/dbraw/zinc/91/84/36/821918436.db2.gz LHBZKCZTHWGXFL-QWHCGFSZSA-N 1 1 399.760 4.485 20 0 GIADMO Cc1sc2[nH]c(C[NH2+][C@@H](c3ccc(F)cc3F)C(C)C)nc(=O)c2c1C ZINC000181654182 821925056 /nfs/dbraw/zinc/92/50/56/821925056.db2.gz VALKKINFQCHMQX-QGZVFWFLSA-N 1 1 377.460 4.367 20 0 GIADMO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000181664455 821931098 /nfs/dbraw/zinc/93/10/98/821931098.db2.gz GTJBMJPHECSEQX-UHFFFAOYSA-N 1 1 392.381 4.098 20 0 GIADMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181744666 821972587 /nfs/dbraw/zinc/97/25/87/821972587.db2.gz KZQSTJNFYXFXFR-UHFFFAOYSA-N 1 1 386.458 4.302 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(Oc2ccccc2)cc1 ZINC000181814098 822003611 /nfs/dbraw/zinc/00/36/11/822003611.db2.gz VNEJIYDYRUUBGT-MRXNPFEDSA-N 1 1 395.528 4.417 20 0 GIADMO CCC[C@H]([NH2+]Cc1nn2c(nc(C)cc2=O)s1)c1cccc(C(F)(F)F)c1 ZINC000181866265 822020542 /nfs/dbraw/zinc/02/05/42/822020542.db2.gz MVQMWNIQRRPHCW-AWEZNQCLSA-N 1 1 396.438 4.109 20 0 GIADMO CC(C)OCCCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000181869028 822021601 /nfs/dbraw/zinc/02/16/01/822021601.db2.gz HKXYKIDRVXINPJ-LJQANCHMSA-N 1 1 375.557 4.065 20 0 GIADMO C[C@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1ccc(-n2cncn2)cc1 ZINC000181874701 822022731 /nfs/dbraw/zinc/02/27/31/822022731.db2.gz POEFAKSOVBBDLK-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000181961245 822046989 /nfs/dbraw/zinc/04/69/89/822046989.db2.gz AQAYDJPQAPTUBJ-STQMWFEESA-N 1 1 389.471 4.272 20 0 GIADMO CCO[C@@H](C)c1nc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cs1 ZINC000181982317 822052210 /nfs/dbraw/zinc/05/22/10/822052210.db2.gz NGVWMYCZNIENQZ-IFXJQAMLSA-N 1 1 376.522 4.499 20 0 GIADMO CCO[C@H](C)c1nc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cs1 ZINC000181982381 822052835 /nfs/dbraw/zinc/05/28/35/822052835.db2.gz NGVWMYCZNIENQZ-KUHUBIRLSA-N 1 1 376.522 4.499 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000182011968 822061805 /nfs/dbraw/zinc/06/18/05/822061805.db2.gz ZCNNAIXMGJUUIX-SFHVURJKSA-N 1 1 379.479 4.291 20 0 GIADMO Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000182021323 822064935 /nfs/dbraw/zinc/06/49/35/822064935.db2.gz AFOSCJUVPPIJAC-UHFFFAOYSA-N 1 1 397.519 4.098 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000182088617 822088956 /nfs/dbraw/zinc/08/89/56/822088956.db2.gz IFCCODSYIYNDKV-OAHLLOKOSA-N 1 1 385.558 4.051 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000182114842 822099650 /nfs/dbraw/zinc/09/96/50/822099650.db2.gz RLHMEWYPLFRXLE-CQSZACIVSA-N 1 1 378.925 4.302 20 0 GIADMO CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000182175617 822132808 /nfs/dbraw/zinc/13/28/08/822132808.db2.gz PDXCZJVEAJOWEZ-OXJNMPFZSA-N 1 1 399.535 4.123 20 0 GIADMO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000182214036 822150504 /nfs/dbraw/zinc/15/05/04/822150504.db2.gz BMVHDCWZDJRNBT-HNNXBMFYSA-N 1 1 391.443 4.022 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nnc2n1CCCCC2 ZINC000182224424 822155823 /nfs/dbraw/zinc/15/58/23/822155823.db2.gz CHGUYFRMCARDEN-MRXNPFEDSA-N 1 1 378.492 4.486 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)cs2)cc1 ZINC000182262674 822175876 /nfs/dbraw/zinc/17/58/76/822175876.db2.gz HOSCVFLXOBKYMW-CYBMUJFWSA-N 1 1 396.468 4.176 20 0 GIADMO Cc1ccc(OC(F)F)c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182272256 822181425 /nfs/dbraw/zinc/18/14/25/822181425.db2.gz YPIKTYKMMCWCHC-LPHOPBHVSA-N 1 1 390.474 4.014 20 0 GIADMO Cc1ccc(OC(F)F)c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182272256 822181431 /nfs/dbraw/zinc/18/14/31/822181431.db2.gz YPIKTYKMMCWCHC-LPHOPBHVSA-N 1 1 390.474 4.014 20 0 GIADMO COc1cccc2[nH]cc(CC(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)c21 ZINC000182320161 822201575 /nfs/dbraw/zinc/20/15/75/822201575.db2.gz IZXITXJSMDRYNE-OAHLLOKOSA-N 1 1 388.471 4.091 20 0 GIADMO CSCCCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000182333342 822205157 /nfs/dbraw/zinc/20/51/57/822205157.db2.gz JOZYXRWJWTUVGZ-UHFFFAOYSA-N 1 1 378.517 4.042 20 0 GIADMO C[C@H](OCCCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000182377843 822221225 /nfs/dbraw/zinc/22/12/25/822221225.db2.gz OAWYOTIPYWNCQI-IRFCIJBXSA-N 1 1 387.568 4.107 20 0 GIADMO COc1ccc([C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182380333 822222275 /nfs/dbraw/zinc/22/22/75/822222275.db2.gz JLONOYBHDRRLJR-DKZVUGQWSA-N 1 1 385.552 4.099 20 0 GIADMO CC(C)CCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000182387432 822225137 /nfs/dbraw/zinc/22/51/37/822225137.db2.gz JUDGEEHGGJGNFI-HSZRJFAPSA-N 1 1 396.531 4.248 20 0 GIADMO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OC(F)F)cc1 ZINC000182403800 822231483 /nfs/dbraw/zinc/23/14/83/822231483.db2.gz RSYZKOUZUJYMTI-YQQAZPJKSA-N 1 1 395.494 4.301 20 0 GIADMO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(OC(F)F)c1 ZINC000182403650 822231569 /nfs/dbraw/zinc/23/15/69/822231569.db2.gz LVCOJYHTCFZUEV-YQQAZPJKSA-N 1 1 395.494 4.301 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)c1c(C)noc1C ZINC000182412253 822233574 /nfs/dbraw/zinc/23/35/74/822233574.db2.gz ZRYXBORVVXLERB-SFTDATJTSA-N 1 1 399.535 4.485 20 0 GIADMO c1ccc([C@H](NCC2(C[NH2+][C@H](c3ccccc3)C3CC3)COC2)C2CC2)cc1 ZINC000182458189 822249964 /nfs/dbraw/zinc/24/99/64/822249964.db2.gz QJSWLUPISGEMRD-PSWAGMNNSA-N 1 1 376.544 4.485 20 0 GIADMO c1ccc([C@H]([NH2+]CC2(CN[C@H](c3ccccc3)C3CC3)COC2)C2CC2)cc1 ZINC000182458189 822249967 /nfs/dbraw/zinc/24/99/67/822249967.db2.gz QJSWLUPISGEMRD-PSWAGMNNSA-N 1 1 376.544 4.485 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)CC[C@@H]21 ZINC000177943937 822251596 /nfs/dbraw/zinc/25/15/96/822251596.db2.gz MWYRYVYLIIJHPV-APWZRJJASA-N 1 1 390.959 4.278 20 0 GIADMO Brc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2cc[nH]n2)CCC3)cc1 ZINC000177955023 822256404 /nfs/dbraw/zinc/25/64/04/822256404.db2.gz QHFOLVLOZLPWKT-AWEZNQCLSA-N 1 1 389.322 4.463 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc(OC(F)(F)F)cc1 ZINC000182508110 822273668 /nfs/dbraw/zinc/27/36/68/822273668.db2.gz KTEPVMQFUXWFDE-ZDUSSCGKSA-N 1 1 376.382 4.232 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COc3cccc(F)c3)c2)C1 ZINC000178012483 822282197 /nfs/dbraw/zinc/28/21/97/822282197.db2.gz FNPFSIKHDQLBEY-GOSISDBHSA-N 1 1 385.483 4.210 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000182535327 822288173 /nfs/dbraw/zinc/28/81/73/822288173.db2.gz OBELVWOSUURKOT-GOSISDBHSA-N 1 1 388.515 4.000 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c1 ZINC000182538771 822290417 /nfs/dbraw/zinc/29/04/17/822290417.db2.gz VLBFKVZXQIXCOK-HNNXBMFYSA-N 1 1 392.478 4.309 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)C1 ZINC000178035083 822292367 /nfs/dbraw/zinc/29/23/67/822292367.db2.gz HAUKDEKPNRVPMX-HNNXBMFYSA-N 1 1 396.466 4.439 20 0 GIADMO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1OCC ZINC000178043301 822296231 /nfs/dbraw/zinc/29/62/31/822296231.db2.gz DTKSREMUNXGROQ-SJORKVTESA-N 1 1 380.492 4.477 20 0 GIADMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)c1 ZINC000182549932 822296825 /nfs/dbraw/zinc/29/68/25/822296825.db2.gz NEMHVAOGJRAWMW-LLVKDONJSA-N 1 1 377.275 4.450 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1)c1ccccc1 ZINC000178048429 822299630 /nfs/dbraw/zinc/29/96/30/822299630.db2.gz DENHHLWMDNFCDK-KRWDZBQOSA-N 1 1 383.561 4.443 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1)c1ccccc1 ZINC000178048429 822299640 /nfs/dbraw/zinc/29/96/40/822299640.db2.gz DENHHLWMDNFCDK-KRWDZBQOSA-N 1 1 383.561 4.443 20 0 GIADMO Cc1cccc2nc(C[NH2+][C@H]3CCCOc4c(Br)cccc43)cn21 ZINC000178058339 822304511 /nfs/dbraw/zinc/30/45/11/822304511.db2.gz DXLKAXIUOORHKN-KRWDZBQOSA-N 1 1 386.293 4.409 20 0 GIADMO COC(=O)c1oc(C[NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1C ZINC000182564208 822304778 /nfs/dbraw/zinc/30/47/78/822304778.db2.gz XMZPQSFMDWQYOL-MRXNPFEDSA-N 1 1 392.455 4.478 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000182565225 822305523 /nfs/dbraw/zinc/30/55/23/822305523.db2.gz OXGXWQNODAXTQQ-QGZVFWFLSA-N 1 1 387.549 4.019 20 0 GIADMO COc1cccc(C2CC[NH+](Cc3nnc(Cc4ccccc4C)o3)CC2)c1 ZINC000178093427 822316269 /nfs/dbraw/zinc/31/62/69/822316269.db2.gz UVXCIIJQVOAVJP-UHFFFAOYSA-N 1 1 377.488 4.357 20 0 GIADMO O=C(c1sc2cc(Cl)ccc2c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178120493 822325469 /nfs/dbraw/zinc/32/54/69/822325469.db2.gz VWJDZQWQCKUCGK-LBPRGKRZSA-N 1 1 399.343 4.002 20 0 GIADMO CNS(=O)(=O)c1cccc([C@H](C)Nc2ccc([NH+]3CCC(C)CC3)cc2)c1 ZINC000182649023 822338553 /nfs/dbraw/zinc/33/85/53/822338553.db2.gz DVVZMXAUFUJAHX-KRWDZBQOSA-N 1 1 387.549 4.004 20 0 GIADMO CNS(=O)(=O)c1cccc([C@@H](C)Nc2ccc([NH+]3CCC(C)CC3)cc2)c1 ZINC000182649043 822338687 /nfs/dbraw/zinc/33/86/87/822338687.db2.gz DVVZMXAUFUJAHX-QGZVFWFLSA-N 1 1 387.549 4.004 20 0 GIADMO CNS(=O)(=O)c1ccc([C@H](C)Nc2ccc([NH+]3CCC(C)CC3)cc2)cc1 ZINC000182650118 822338722 /nfs/dbraw/zinc/33/87/22/822338722.db2.gz AIPZXHYJUDOOAH-KRWDZBQOSA-N 1 1 387.549 4.004 20 0 GIADMO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000182651688 822339640 /nfs/dbraw/zinc/33/96/40/822339640.db2.gz GBUFDNMFUPXKSM-HNNXBMFYSA-N 1 1 382.460 4.277 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccn3ccnc3c2)c1 ZINC000178179106 822343760 /nfs/dbraw/zinc/34/37/60/822343760.db2.gz KNHRIEXHJPGKSR-UHFFFAOYSA-N 1 1 388.475 4.024 20 0 GIADMO Cc1c(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)oc2c1c(C)ccc2C ZINC000178182863 822345593 /nfs/dbraw/zinc/34/55/93/822345593.db2.gz DGNZMSXDYCRJCX-UHFFFAOYSA-N 1 1 392.503 4.164 20 0 GIADMO COc1cccc2c1CC[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000182669519 822345575 /nfs/dbraw/zinc/34/55/75/822345575.db2.gz TUDCXIILXRWHTR-UHFFFAOYSA-N 1 1 378.394 4.101 20 0 GIADMO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)Sc1ccccc1 ZINC000182677253 822348300 /nfs/dbraw/zinc/34/83/00/822348300.db2.gz ISWVJXNAHWJEDS-FGTMMUONSA-N 1 1 375.582 4.119 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OCc2ccc(F)cc2)cc1)c1nnc2ccccn21 ZINC000182718507 822357471 /nfs/dbraw/zinc/35/74/71/822357471.db2.gz MWDBHFTZOTVTMG-INIZCTEOSA-N 1 1 376.435 4.298 20 0 GIADMO COCCC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(Br)cc1 ZINC000178255010 822359074 /nfs/dbraw/zinc/35/90/74/822359074.db2.gz PVAYWPKAWUDDCD-FQEVSTJZSA-N 1 1 395.385 4.381 20 0 GIADMO COCCC[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000178255010 822359078 /nfs/dbraw/zinc/35/90/78/822359078.db2.gz PVAYWPKAWUDDCD-FQEVSTJZSA-N 1 1 395.385 4.381 20 0 GIADMO COCCC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(Br)cc1 ZINC000178255023 822359371 /nfs/dbraw/zinc/35/93/71/822359371.db2.gz PVAYWPKAWUDDCD-HXUWFJFHSA-N 1 1 395.385 4.381 20 0 GIADMO COCCC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000178255023 822359374 /nfs/dbraw/zinc/35/93/74/822359374.db2.gz PVAYWPKAWUDDCD-HXUWFJFHSA-N 1 1 395.385 4.381 20 0 GIADMO C[C@H](NC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182768600 822364741 /nfs/dbraw/zinc/36/47/41/822364741.db2.gz RZHUIYHMUHOWSL-VKUXKFIQSA-N 1 1 399.579 4.107 20 0 GIADMO CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000453452657 822366101 /nfs/dbraw/zinc/36/61/01/822366101.db2.gz QEOWTPYJAROJKH-GIVPXCGWSA-N 1 1 397.567 4.029 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000178316108 822366659 /nfs/dbraw/zinc/36/66/59/822366659.db2.gz VIWRBVKIGKCRMG-INIZCTEOSA-N 1 1 377.868 4.369 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182782022 822366644 /nfs/dbraw/zinc/36/66/44/822366644.db2.gz HJBDJTRNJLHHLA-FPOVZHCZSA-N 1 1 398.595 4.129 20 0 GIADMO O=C(N[C@@H](c1ccco1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000045155998 822366965 /nfs/dbraw/zinc/36/69/65/822366965.db2.gz SDGDUEQUFRVGCS-HSZRJFAPSA-N 1 1 389.499 4.287 20 0 GIADMO CCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000453455195 822366977 /nfs/dbraw/zinc/36/69/77/822366977.db2.gz SBYIUUSZYSLYKL-FQEVSTJZSA-N 1 1 391.604 4.124 20 0 GIADMO Cc1cc(-c2noc(C[NH+]3CCC(OCCc4ccccc4)CC3)n2)ccc1F ZINC000178339754 822368973 /nfs/dbraw/zinc/36/89/73/822368973.db2.gz YYPUWOODQMLUTF-UHFFFAOYSA-N 1 1 395.478 4.408 20 0 GIADMO COc1ccc(CC[N@@H+](CCc2ccccn2)Cc2ccsc2)cc1OC ZINC000178371027 822372203 /nfs/dbraw/zinc/37/22/03/822372203.db2.gz LRDQCOGADBKHSA-UHFFFAOYSA-N 1 1 382.529 4.448 20 0 GIADMO CC(C)n1ncc2cc(C[N@@H+](CCCO)[C@H]3CCCc4ccccc43)cnc21 ZINC000178397199 822375163 /nfs/dbraw/zinc/37/51/63/822375163.db2.gz JXBFJHDTFUXNFA-QFIPXVFZSA-N 1 1 378.520 4.274 20 0 GIADMO OCCC[N@@H+](Cc1cncc(Br)c1)[C@H]1CCCc2ccccc21 ZINC000178396573 822375221 /nfs/dbraw/zinc/37/52/21/822375221.db2.gz GRGUMDUOWSXNQW-IBGZPJMESA-N 1 1 375.310 4.106 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000178401886 822375650 /nfs/dbraw/zinc/37/56/50/822375650.db2.gz YKAXKEIXAPDJBC-GFCCVEGCSA-N 1 1 399.413 4.193 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000178401886 822375654 /nfs/dbraw/zinc/37/56/54/822375654.db2.gz YKAXKEIXAPDJBC-GFCCVEGCSA-N 1 1 399.413 4.193 20 0 GIADMO CC(C)c1[nH+]ccn1CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000182839497 822376140 /nfs/dbraw/zinc/37/61/40/822376140.db2.gz MZNRXWLBXDCELH-UHFFFAOYSA-N 1 1 377.448 4.289 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)C)CC1 ZINC000453482890 822376212 /nfs/dbraw/zinc/37/62/12/822376212.db2.gz SBDUYZUULKNWDD-HXUWFJFHSA-N 1 1 391.604 4.124 20 0 GIADMO C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840060 822376557 /nfs/dbraw/zinc/37/65/57/822376557.db2.gz VYXHVTUYPFZWKP-IRXDYDNUSA-N 1 1 385.552 4.054 20 0 GIADMO C[C@H](Oc1cccc(F)c1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000045317408 822378450 /nfs/dbraw/zinc/37/84/50/822378450.db2.gz BAZJXIWXWHCVET-AWEZNQCLSA-N 1 1 377.485 4.064 20 0 GIADMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)CCO2 ZINC000178437402 822379081 /nfs/dbraw/zinc/37/90/81/822379081.db2.gz XOPRZMXGXPQHMN-KRWDZBQOSA-N 1 1 379.403 4.309 20 0 GIADMO CSCC[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)c1nnc2ccccn21 ZINC000178454891 822380625 /nfs/dbraw/zinc/38/06/25/822380625.db2.gz SPNVHLBMLJQYED-CVEARBPZSA-N 1 1 388.537 4.489 20 0 GIADMO C[C@@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182863076 822381337 /nfs/dbraw/zinc/38/13/37/822381337.db2.gz WBTLIAPGLQFAQD-XLIONFOSSA-N 1 1 387.543 4.400 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(F)cc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182865710 822381837 /nfs/dbraw/zinc/38/18/37/822381837.db2.gz JXPGOJPVPJQVDD-CHWSQXEVSA-N 1 1 398.320 4.363 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(F)cc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182865693 822381927 /nfs/dbraw/zinc/38/19/27/822381927.db2.gz JXPGOJPVPJQVDD-QWHCGFSZSA-N 1 1 398.320 4.363 20 0 GIADMO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccc(-n2cccn2)cc1 ZINC000178477769 822383171 /nfs/dbraw/zinc/38/31/71/822383171.db2.gz SKACEUPVEDTKLQ-GOSISDBHSA-N 1 1 383.499 4.398 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(Cl)c1Cl ZINC000178499673 822385479 /nfs/dbraw/zinc/38/54/79/822385479.db2.gz GLIPTYZFYONCHO-GFCCVEGCSA-N 1 1 387.332 4.095 20 0 GIADMO Cc1cc(Br)c(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)s1 ZINC000453568168 822385662 /nfs/dbraw/zinc/38/56/62/822385662.db2.gz WSMDYNISXOXEFC-UHFFFAOYSA-N 1 1 399.379 4.275 20 0 GIADMO C[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CCN1C(=O)c1cscn1 ZINC000453570066 822385860 /nfs/dbraw/zinc/38/58/60/822385860.db2.gz CBXTZGKGEBRVMT-SFHVURJKSA-N 1 1 391.540 4.122 20 0 GIADMO C[C@H](c1cc(F)ccc1F)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182888999 822386775 /nfs/dbraw/zinc/38/67/75/822386775.db2.gz QMCMIPKVXLMWOX-ARFHVFGLSA-N 1 1 379.495 4.320 20 0 GIADMO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c2cccnc12 ZINC000182889268 822386859 /nfs/dbraw/zinc/38/68/59/822386859.db2.gz QJNMEGIOISTVLS-HZPDHXFCSA-N 1 1 382.508 4.018 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccccc1OC(F)F ZINC000178526204 822388065 /nfs/dbraw/zinc/38/80/65/822388065.db2.gz GJEVYUYOLZHUQT-NWDGAFQWSA-N 1 1 387.423 4.242 20 0 GIADMO C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898627 822388673 /nfs/dbraw/zinc/38/86/73/822388673.db2.gz KOLSFXPRERSZPR-RYUDHWBXSA-N 1 1 389.849 4.137 20 0 GIADMO Cc1cc(Br)c(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000453588830 822389488 /nfs/dbraw/zinc/38/94/88/822389488.db2.gz MHLVPUAQQNLCHL-JTQLQIEISA-N 1 1 381.295 4.001 20 0 GIADMO Cc1ccc(OC2CCN(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)cc1 ZINC000182905842 822390205 /nfs/dbraw/zinc/39/02/05/822390205.db2.gz UIRZHKOKFBLBCI-WOJBJXKFSA-N 1 1 399.579 4.201 20 0 GIADMO OCC1([C@H]([NH2+]Cc2nccn2Cc2ccccc2)c2ccccc2)CCCC1 ZINC000453596340 822390641 /nfs/dbraw/zinc/39/06/41/822390641.db2.gz ABDRVTUVESLOPM-HSZRJFAPSA-N 1 1 375.516 4.315 20 0 GIADMO C[C@H](NC(=O)N1CCc2c(Cl)cccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182910132 822390858 /nfs/dbraw/zinc/39/08/58/822390858.db2.gz FPAKOGSHRVSJDN-JKSUJKDBSA-N 1 1 375.944 4.061 20 0 GIADMO C[C@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182910984 822391221 /nfs/dbraw/zinc/39/12/21/822391221.db2.gz DENWLTNJRUVUPL-PXNSSMCTSA-N 1 1 385.527 4.277 20 0 GIADMO OCC1([C@H]([NH2+]Cc2ncc(Br)s2)c2ccccc2)CCCC1 ZINC000453608405 822392435 /nfs/dbraw/zinc/39/24/35/822392435.db2.gz FHCVGGDAUIGXDX-MRXNPFEDSA-N 1 1 381.339 4.289 20 0 GIADMO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000453614401 822393231 /nfs/dbraw/zinc/39/32/31/822393231.db2.gz NSNMOVOMKIGZDM-UHFFFAOYSA-N 1 1 389.849 4.358 20 0 GIADMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000453614401 822393239 /nfs/dbraw/zinc/39/32/39/822393239.db2.gz NSNMOVOMKIGZDM-UHFFFAOYSA-N 1 1 389.849 4.358 20 0 GIADMO COc1cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)ccc1OCc1ccncc1 ZINC000453615765 822393543 /nfs/dbraw/zinc/39/35/43/822393543.db2.gz GDRJRTBKFGWHFM-UHFFFAOYSA-N 1 1 394.519 4.061 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182924479 822393667 /nfs/dbraw/zinc/39/36/67/822393667.db2.gz ZVAYHUVHBRVLHN-JKSUJKDBSA-N 1 1 386.565 4.091 20 0 GIADMO [NH3+]Cc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cs1 ZINC000178582820 822394036 /nfs/dbraw/zinc/39/40/36/822394036.db2.gz LQPCGTGRARGPMO-UHFFFAOYSA-N 1 1 397.394 4.230 20 0 GIADMO Cc1cc(C)n(-c2cccc(NC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2)n1 ZINC000182926107 822394291 /nfs/dbraw/zinc/39/42/91/822394291.db2.gz DGUWRVZSLIIRKX-MOPGFXCFSA-N 1 1 395.551 4.264 20 0 GIADMO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000453622399 822394782 /nfs/dbraw/zinc/39/47/82/822394782.db2.gz WPONMMXGNRKSLL-UHFFFAOYSA-N 1 1 394.519 4.181 20 0 GIADMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000453622399 822394786 /nfs/dbraw/zinc/39/47/86/822394786.db2.gz WPONMMXGNRKSLL-UHFFFAOYSA-N 1 1 394.519 4.181 20 0 GIADMO CCOC(=O)c1sc2nc(C[NH2+][C@@H](C)c3cc(C)cc(C)c3)nc(N)c2c1C ZINC000182938829 822396377 /nfs/dbraw/zinc/39/63/77/822396377.db2.gz VWVUEHOCIHFQGW-AWEZNQCLSA-N 1 1 398.532 4.226 20 0 GIADMO COCC[C@@H](C)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000182968896 822401511 /nfs/dbraw/zinc/40/15/11/822401511.db2.gz NOAZWJNFEUSXLP-QGZVFWFLSA-N 1 1 384.520 4.099 20 0 GIADMO Cc1cc(C(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1CCc1cccs1 ZINC000178717722 822405232 /nfs/dbraw/zinc/40/52/32/822405232.db2.gz NDUGYABDWZKCOE-APWZRJJASA-N 1 1 387.593 4.006 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000045696849 822406096 /nfs/dbraw/zinc/40/60/96/822406096.db2.gz MFXWISJAIBAHKA-INIZCTEOSA-N 1 1 385.895 4.019 20 0 GIADMO Cc1ccc2nc(-c3ccc(NC(=O)C[N@@H+](C)C[C@@H]4CCOC4)cc3)sc2c1 ZINC000178763759 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CCC[C@@H](NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C(C)(C)C ZINC000453869338 822417576 /nfs/dbraw/zinc/41/75/76/822417576.db2.gz DHHGGGURTHMBPO-LJQANCHMSA-N 1 1 398.551 4.324 20 0 GIADMO O=c1ccc(C(F)(F)F)nn1C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000178884271 822418741 /nfs/dbraw/zinc/41/87/41/822418741.db2.gz DRMWLTXDAKIZJT-UHFFFAOYSA-N 1 1 385.817 4.322 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1)CC(F)(F)F ZINC000183108955 822425610 /nfs/dbraw/zinc/42/56/10/822425610.db2.gz YOQJMPZRLVVUNM-INIZCTEOSA-N 1 1 386.506 4.174 20 0 GIADMO CC(=O)OC1CC[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000178978646 822425824 /nfs/dbraw/zinc/42/58/24/822425824.db2.gz YXBOYVDZEMYTOQ-UHFFFAOYSA-N 1 1 384.423 4.356 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(Br)cc2F)C1 ZINC000045957580 822426920 /nfs/dbraw/zinc/42/69/20/822426920.db2.gz BUQFVAHPDMWACU-ZDUSSCGKSA-N 1 1 386.309 4.222 20 0 GIADMO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183120901 822427389 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PINHZVFZCCNCKF-UHFFFAOYSA-N 1 1 380.536 4.019 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cs1)c1ccc(C)c(C)c1 ZINC000179086783 822436794 /nfs/dbraw/zinc/43/67/94/822436794.db2.gz SSFNBJXYOBSEGP-APWZRJJASA-N 1 1 387.549 4.180 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cs1)c1ccc(C)c(C)c1 ZINC000179086783 822436796 /nfs/dbraw/zinc/43/67/96/822436796.db2.gz SSFNBJXYOBSEGP-APWZRJJASA-N 1 1 387.549 4.180 20 0 GIADMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000183182268 822437018 /nfs/dbraw/zinc/43/70/18/822437018.db2.gz STODGSNDEVNJLY-OAHLLOKOSA-N 1 1 388.895 4.366 20 0 GIADMO C[C@@H](N[C@@H](C)c1ccc(OCc2nccn2C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183191156 822438581 /nfs/dbraw/zinc/43/85/81/822438581.db2.gz GDXWTIORQFIZDL-QKNQBKEWSA-N 1 1 396.579 4.303 20 0 GIADMO C[C@@H](N[C@@H](C)c1ccc(OCc2nccn2C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183191156 822438584 /nfs/dbraw/zinc/43/85/84/822438584.db2.gz GDXWTIORQFIZDL-QKNQBKEWSA-N 1 1 396.579 4.303 20 0 GIADMO O=C(c1nc2cc(Cl)ccc2s1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000454208240 822439088 /nfs/dbraw/zinc/43/90/88/822439088.db2.gz LWMXWDOSPGZNPP-MLGOLLRUSA-N 1 1 375.925 4.039 20 0 GIADMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000179117512 822439937 /nfs/dbraw/zinc/43/99/37/822439937.db2.gz XAZKDSCYBANSHC-GOEBONIOSA-N 1 1 397.466 4.171 20 0 GIADMO Cc1cc(OC[C@@H](O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(C(C)C)cc1Cl ZINC000046092555 822440787 /nfs/dbraw/zinc/44/07/87/822440787.db2.gz QNTKVBPKBYXSKS-WMZOPIPTSA-N 1 1 381.944 4.012 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N[C@H]([C@H](CO)C1CC1)C1CC1)C1CCCCC1 ZINC000454226908 822440893 /nfs/dbraw/zinc/44/08/93/822440893.db2.gz LOPJQKDBCVTWCN-GGAORHGYSA-N 1 1 399.579 4.370 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000454225667 822440903 /nfs/dbraw/zinc/44/09/03/822440903.db2.gz JKJFWVSRLZMQJB-MRXNPFEDSA-N 1 1 382.508 4.434 20 0 GIADMO COc1cc(Br)c(C[N@H+](C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC000183250130 822448419 /nfs/dbraw/zinc/44/84/19/822448419.db2.gz FPAGZBFAKAGTBO-LLVKDONJSA-N 1 1 385.327 4.158 20 0 GIADMO COc1cc(Br)c(C[N@@H+](C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC000183250130 822448421 /nfs/dbraw/zinc/44/84/21/822448421.db2.gz FPAGZBFAKAGTBO-LLVKDONJSA-N 1 1 385.327 4.158 20 0 GIADMO Cn1ccnc1[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000183252152 822448586 /nfs/dbraw/zinc/44/85/86/822448586.db2.gz SJYZSZKVNRGXIV-HXUWFJFHSA-N 1 1 378.451 4.052 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2)c1nccs1 ZINC000183253694 822448840 /nfs/dbraw/zinc/44/88/40/822448840.db2.gz SQNVPHHTVOHKPE-GFCCVEGCSA-N 1 1 397.338 4.302 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(COC)c1 ZINC000179190473 822448895 /nfs/dbraw/zinc/44/88/95/822448895.db2.gz BLPOGHAGUDNRAD-UHFFFAOYSA-N 1 1 380.410 4.312 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(COC)c1 ZINC000179190473 822448898 /nfs/dbraw/zinc/44/88/98/822448898.db2.gz BLPOGHAGUDNRAD-UHFFFAOYSA-N 1 1 380.410 4.312 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCc2cnc(C3CC3)o2)C1 ZINC000454277320 822448945 /nfs/dbraw/zinc/44/89/45/822448945.db2.gz VQWRMNBLYWIZIF-CALCHBBNSA-N 1 1 396.535 4.029 20 0 GIADMO C[C@@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202964 822450324 /nfs/dbraw/zinc/45/03/24/822450324.db2.gz MOARWHXGMONISR-UKRRQHHQSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202964 822450327 /nfs/dbraw/zinc/45/03/27/822450327.db2.gz MOARWHXGMONISR-UKRRQHHQSA-N 1 1 380.355 4.221 20 0 GIADMO Cc1nnc(-c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000183271987 822451762 /nfs/dbraw/zinc/45/17/62/822451762.db2.gz WVFVBDXSGMMHEG-LJQANCHMSA-N 1 1 391.471 4.114 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(Br)c1Cl ZINC000183274009 822451961 /nfs/dbraw/zinc/45/19/61/822451961.db2.gz FIMSHTZYERTAHS-ZDUSSCGKSA-N 1 1 387.749 4.487 20 0 GIADMO Fc1ccc(COc2cccc(C[N@H+]3CCOCC4(CCOCC4)C3)c2)cc1 ZINC000183275335 822452356 /nfs/dbraw/zinc/45/23/56/822452356.db2.gz WGLBTUSBPBIYOA-UHFFFAOYSA-N 1 1 385.479 4.034 20 0 GIADMO COCc1cccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000179235800 822455407 /nfs/dbraw/zinc/45/54/07/822455407.db2.gz PCHLIEJJGAKWAS-LJQANCHMSA-N 1 1 385.483 4.006 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000046334781 822462108 /nfs/dbraw/zinc/46/21/08/822462108.db2.gz HJVFIUVAEMSADD-MRXNPFEDSA-N 1 1 389.540 4.303 20 0 GIADMO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](C)[C@@H](C)c3ccccc3)s2)cc1 ZINC000183351720 822462323 /nfs/dbraw/zinc/46/23/23/822462323.db2.gz IRJYYURJZPCTAX-CVEARBPZSA-N 1 1 380.517 4.381 20 0 GIADMO Cc1cccc(OCCCC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000046341489 822463341 /nfs/dbraw/zinc/46/33/41/822463341.db2.gz ZPTSEUHBLLAQQL-WOJBJXKFSA-N 1 1 396.531 4.402 20 0 GIADMO CCOc1ccccc1CCC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046342485 822463526 /nfs/dbraw/zinc/46/35/26/822463526.db2.gz UJSNORDBDMIUFQ-KDURUIRLSA-N 1 1 396.531 4.266 20 0 GIADMO CCOc1ccccc1CCC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046342485 822463529 /nfs/dbraw/zinc/46/35/29/822463529.db2.gz UJSNORDBDMIUFQ-KDURUIRLSA-N 1 1 396.531 4.266 20 0 GIADMO COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000046344448 822463867 /nfs/dbraw/zinc/46/38/67/822463867.db2.gz RNOAEEJULAHRRK-YLJYHZDGSA-N 1 1 398.528 4.020 20 0 GIADMO CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000046344456 822464050 /nfs/dbraw/zinc/46/40/50/822464050.db2.gz KIHCVEKSICMYES-OXQOHEQNSA-N 1 1 398.528 4.272 20 0 GIADMO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000183362982 822464069 /nfs/dbraw/zinc/46/40/69/822464069.db2.gz RJJIVPNWPQRPQV-AWEZNQCLSA-N 1 1 388.231 4.442 20 0 GIADMO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183373301 822465298 /nfs/dbraw/zinc/46/52/98/822465298.db2.gz AYRYAMLKCBDPNB-AREMUKBSSA-N 1 1 389.414 4.136 20 0 GIADMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183373301 822465302 /nfs/dbraw/zinc/46/53/02/822465302.db2.gz AYRYAMLKCBDPNB-AREMUKBSSA-N 1 1 389.414 4.136 20 0 GIADMO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(c3cccc(C)[nH+]3)CC1)CCC2 ZINC000179337533 822467773 /nfs/dbraw/zinc/46/77/73/822467773.db2.gz PWJYFBMUDFVCBY-NRFANRHFSA-N 1 1 378.520 4.044 20 0 GIADMO O=C(c1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1)N1CCCCC1 ZINC000183398590 822468207 /nfs/dbraw/zinc/46/82/07/822468207.db2.gz RUVMRZPIQVELQT-JOCHJYFZSA-N 1 1 382.479 4.105 20 0 GIADMO CC(C)Cn1ncc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C(F)F ZINC000179342545 822468392 /nfs/dbraw/zinc/46/83/92/822468392.db2.gz BBZVTSYEMJOGCV-MRXNPFEDSA-N 1 1 398.885 4.163 20 0 GIADMO CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000046404052 822470313 /nfs/dbraw/zinc/47/03/13/822470313.db2.gz YIKSGAUAXXKRMQ-LJQANCHMSA-N 1 1 395.547 4.360 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3csc(-c4cccs4)n3)cc2)CC1 ZINC000046404382 822470639 /nfs/dbraw/zinc/47/06/39/822470639.db2.gz IOZWULOENMDHKF-UHFFFAOYSA-N 1 1 398.557 4.266 20 0 GIADMO CSCC1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000454409678 822470804 /nfs/dbraw/zinc/47/08/04/822470804.db2.gz DGTMIGUATMLLOY-LXPRWKDFSA-N 1 1 395.638 4.181 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179363611 822471796 /nfs/dbraw/zinc/47/17/96/822471796.db2.gz INYYEPVHLJUIHZ-SJCJKPOMSA-N 1 1 397.281 4.342 20 0 GIADMO COc1ccc(/C=C/C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1O ZINC000183427959 822473452 /nfs/dbraw/zinc/47/34/52/822473452.db2.gz ZIEVRXXFVFIZLS-CSKARUKUSA-N 1 1 391.471 4.421 20 0 GIADMO Cc1ncc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)s1 ZINC000179383942 822474661 /nfs/dbraw/zinc/47/46/61/822474661.db2.gz XBGXTEGPIBDGGH-UHFFFAOYSA-N 1 1 375.501 4.331 20 0 GIADMO Cc1ncc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2cccnc2)s1 ZINC000179383942 822474664 /nfs/dbraw/zinc/47/46/64/822474664.db2.gz XBGXTEGPIBDGGH-UHFFFAOYSA-N 1 1 375.501 4.331 20 0 GIADMO Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454453426 822478102 /nfs/dbraw/zinc/47/81/02/822478102.db2.gz LFSWEQZGMIPTKJ-UHFFFAOYSA-N 1 1 394.519 4.243 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2C)cc1OC ZINC000183463817 822478947 /nfs/dbraw/zinc/47/89/47/822478947.db2.gz JRLDPUBXJJCHLM-GFCCVEGCSA-N 1 1 380.847 4.094 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(Cl)cc2cccnc21 ZINC000046514406 822479992 /nfs/dbraw/zinc/47/99/92/822479992.db2.gz BYZPLXLPMJFNNS-UHFFFAOYSA-N 1 1 379.891 4.412 20 0 GIADMO O=C(NC[C@@H]1CCCCC1(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000454476289 822481210 /nfs/dbraw/zinc/48/12/10/822481210.db2.gz BDLSQPWZZJYZQR-UMQXSMKFSA-N 1 1 391.506 4.307 20 0 GIADMO CC(C)C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)C(=O)Nc1nccs1 ZINC000179436957 822482468 /nfs/dbraw/zinc/48/24/68/822482468.db2.gz PEULHTKHWOIEME-CYBMUJFWSA-N 1 1 389.493 4.335 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N[C@H](c2ccccc2)C(C)C)cc1OC ZINC000183494715 822485482 /nfs/dbraw/zinc/48/54/82/822485482.db2.gz LVVVTJRDYDUSDY-NYHFZMIOSA-N 1 1 388.483 4.007 20 0 GIADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(NC(=O)c2ccccc2)ccc1C ZINC000454501243 822485928 /nfs/dbraw/zinc/48/59/28/822485928.db2.gz XPTVFFLXIFPAHD-FQEVSTJZSA-N 1 1 394.519 4.195 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000179465433 822486514 /nfs/dbraw/zinc/48/65/14/822486514.db2.gz ZBZHBUJAZPZOOP-KRWDZBQOSA-N 1 1 379.504 4.421 20 0 GIADMO Cc1cccnc1[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)C(C)C ZINC000454515845 822489094 /nfs/dbraw/zinc/48/90/94/822489094.db2.gz PAAILVVIPNYURI-DENIHFKCSA-N 1 1 394.563 4.251 20 0 GIADMO CC[C@@H]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000454517620 822489410 /nfs/dbraw/zinc/48/94/10/822489410.db2.gz VBVVPRAJWCJNNX-UXHICEINSA-N 1 1 390.572 4.019 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000046593635 822489430 /nfs/dbraw/zinc/48/94/30/822489430.db2.gz LTOHMKODIPZFGX-LSDHHAIUSA-N 1 1 379.570 4.034 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496567 822491209 /nfs/dbraw/zinc/49/12/09/822491209.db2.gz PZOJKCSOKMBZEF-BQFCYCMXSA-N 1 1 395.551 4.402 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496567 822491212 /nfs/dbraw/zinc/49/12/12/822491212.db2.gz PZOJKCSOKMBZEF-BQFCYCMXSA-N 1 1 395.551 4.402 20 0 GIADMO C[NH+](C)CCOc1cc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)ccn1 ZINC000179511060 822493659 /nfs/dbraw/zinc/49/36/59/822493659.db2.gz UNHPMEHYVJLJJL-QGZVFWFLSA-N 1 1 380.319 4.106 20 0 GIADMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cs2)cc1 ZINC000179513986 822494393 /nfs/dbraw/zinc/49/43/93/822494393.db2.gz JMNNVFKBCXCCGA-OAHLLOKOSA-N 1 1 383.496 4.324 20 0 GIADMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nnc(C5CC5)[nH]4)C3)cs2)cc1 ZINC000179513986 822494394 /nfs/dbraw/zinc/49/43/94/822494394.db2.gz JMNNVFKBCXCCGA-OAHLLOKOSA-N 1 1 383.496 4.324 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(-n4cccn4)c3)n2)cc1 ZINC000183569222 822496009 /nfs/dbraw/zinc/49/60/09/822496009.db2.gz SJVSOGZLEDVSGO-INIZCTEOSA-N 1 1 389.459 4.172 20 0 GIADMO CN(C)[C@@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)c1c(F)cccc1F ZINC000183606929 822500368 /nfs/dbraw/zinc/50/03/68/822500368.db2.gz OWSFBOYXDWSCTE-RBBKRZOGSA-N 1 1 385.433 4.481 20 0 GIADMO CN(C)[C@H](C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1)c1c(F)cccc1F ZINC000183606944 822500374 /nfs/dbraw/zinc/50/03/74/822500374.db2.gz OWSFBOYXDWSCTE-IFMALSPDSA-N 1 1 385.433 4.481 20 0 GIADMO Cc1sc2nc([C@@H](C)[NH2+][C@@H](C)c3cccc(-n4cccn4)c3)nc(N)c2c1C ZINC000183608920 822500542 /nfs/dbraw/zinc/50/05/42/822500542.db2.gz PDOJHGKIJVNCBP-UONOGXRCSA-N 1 1 392.532 4.488 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000183610851 822501046 /nfs/dbraw/zinc/50/10/46/822501046.db2.gz RSOBQSFRCKBRAA-RTBURBONSA-N 1 1 396.531 4.115 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000183615141 822501725 /nfs/dbraw/zinc/50/17/25/822501725.db2.gz BZYCOEQWWVBYNS-CQSZACIVSA-N 1 1 395.425 4.083 20 0 GIADMO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000179551885 822501980 /nfs/dbraw/zinc/50/19/80/822501980.db2.gz OYLUEKFQDRMUIH-JLTOFOAXSA-N 1 1 398.869 4.365 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000179575172 822505980 /nfs/dbraw/zinc/50/59/80/822505980.db2.gz PHBXBKLJDVULBS-UHFFFAOYSA-N 1 1 384.430 4.124 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000179575172 822505981 /nfs/dbraw/zinc/50/59/81/822505981.db2.gz PHBXBKLJDVULBS-UHFFFAOYSA-N 1 1 384.430 4.124 20 0 GIADMO COCCn1ccc2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc21 ZINC000183651981 822506350 /nfs/dbraw/zinc/50/63/50/822506350.db2.gz YOOOQRGWMRNZBO-IEBWSBKVSA-N 1 1 398.551 4.062 20 0 GIADMO CCOCc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000179601639 822510757 /nfs/dbraw/zinc/51/07/57/822510757.db2.gz QXDSFOFLGCDWSU-QFIPXVFZSA-N 1 1 382.548 4.186 20 0 GIADMO CCOCc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000179601656 822510783 /nfs/dbraw/zinc/51/07/83/822510783.db2.gz QXDSFOFLGCDWSU-JOCHJYFZSA-N 1 1 382.548 4.186 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H](CCO)C(C)(C)C)cs1)c1ccc(C)c(C)c1 ZINC000183690202 822512072 /nfs/dbraw/zinc/51/20/72/822512072.db2.gz CETUIZXEOLPYST-LJQANCHMSA-N 1 1 389.565 4.331 20 0 GIADMO O=C(CCCc1ncc(-c2ccccc2)o1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000046747022 822512398 /nfs/dbraw/zinc/51/23/98/822512398.db2.gz SLOMQKCJKNLVPQ-OAQYLSRUSA-N 1 1 389.499 4.055 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000046756481 822513768 /nfs/dbraw/zinc/51/37/68/822513768.db2.gz HPVWIRWCJFUDBJ-UHFFFAOYSA-N 1 1 377.488 4.420 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)cc1F ZINC000179622186 822514621 /nfs/dbraw/zinc/51/46/21/822514621.db2.gz ZHDKGUTZPLBHSO-MRXNPFEDSA-N 1 1 375.387 4.202 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)C1 ZINC000183707233 822514725 /nfs/dbraw/zinc/51/47/25/822514725.db2.gz NHLUKAGGGKQWTD-AWEZNQCLSA-N 1 1 395.425 4.083 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)cc1F ZINC000179627248 822515421 /nfs/dbraw/zinc/51/54/21/822515421.db2.gz FDIYWVNBRIVPJP-FQEVSTJZSA-N 1 1 398.457 4.447 20 0 GIADMO CCOc1cc(C[N@H+](C)Cc2cc(F)cc3c2OCOC3)ccc1OC(F)F ZINC000046777386 822516253 /nfs/dbraw/zinc/51/62/53/822516253.db2.gz YKPRQJKHMRZPSK-UHFFFAOYSA-N 1 1 397.393 4.324 20 0 GIADMO CCOc1cc(C[N@@H+](C)Cc2cc(F)cc3c2OCOC3)ccc1OC(F)F ZINC000046777386 822516256 /nfs/dbraw/zinc/51/62/56/822516256.db2.gz YKPRQJKHMRZPSK-UHFFFAOYSA-N 1 1 397.393 4.324 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000179635563 822517055 /nfs/dbraw/zinc/51/70/55/822517055.db2.gz YNMXAHVEKYDMTR-UHFFFAOYSA-N 1 1 390.487 4.395 20 0 GIADMO Cc1cccnc1NC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046804468 822519096 /nfs/dbraw/zinc/51/90/96/822519096.db2.gz ZZHZKCKZAFEVPN-IBGZPJMESA-N 1 1 392.528 4.373 20 0 GIADMO Cc1cccnc1NC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046804468 822519098 /nfs/dbraw/zinc/51/90/98/822519098.db2.gz ZZHZKCKZAFEVPN-IBGZPJMESA-N 1 1 392.528 4.373 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NCc2cncc(Br)c2)C[C@H](C)O1 ZINC000183739191 822519659 /nfs/dbraw/zinc/51/96/59/822519659.db2.gz ZMLUGLSREYJLRQ-GJZGRUSLSA-N 1 1 390.325 4.065 20 0 GIADMO CCOC(=O)Nc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000046809250 822519736 /nfs/dbraw/zinc/51/97/36/822519736.db2.gz UIZKCRMCJKDERD-UHFFFAOYSA-N 1 1 383.492 4.025 20 0 GIADMO CCN(CC(=O)Nc1c(C)cccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183748713 822521751 /nfs/dbraw/zinc/52/17/51/822521751.db2.gz TVLGNNLHNBHINS-IBGZPJMESA-N 1 1 385.939 4.183 20 0 GIADMO COCc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1 ZINC000046837553 822522829 /nfs/dbraw/zinc/52/28/29/822522829.db2.gz MVHKDGUMOZEYPB-UHFFFAOYSA-N 1 1 387.886 4.469 20 0 GIADMO CCN(Cc1csc(-c2ccccn2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183756675 822523089 /nfs/dbraw/zinc/52/30/89/822523089.db2.gz ZHDVFSJXQUNBJM-HXUWFJFHSA-N 1 1 378.545 4.302 20 0 GIADMO COCc1cccc(CNC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)c1 ZINC000183760208 822523614 /nfs/dbraw/zinc/52/36/14/822523614.db2.gz UGOWSZQZDSKRHT-CYBMUJFWSA-N 1 1 381.303 4.107 20 0 GIADMO Cc1nc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(-c2ccccc2)o1 ZINC000183760156 822523670 /nfs/dbraw/zinc/52/36/70/822523670.db2.gz RUQBIJLUAOUEHI-SFHVURJKSA-N 1 1 379.460 4.200 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@](C)(F)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454735499 822525032 /nfs/dbraw/zinc/52/50/32/822525032.db2.gz MWBJBJDUNBYJGP-LSBZLQRGSA-N 1 1 385.886 4.006 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3c(F)cccc3F)CC[N@H+]2C2CC2)c1 ZINC000183767951 822525465 /nfs/dbraw/zinc/52/54/65/822525465.db2.gz BGNPWFRJCIZUEK-AZUAARDMSA-N 1 1 387.430 4.073 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)Nc3c(F)cccc3F)CC[N@H+]2C2CC2)c1 ZINC000183767937 822525518 /nfs/dbraw/zinc/52/55/18/822525518.db2.gz BGNPWFRJCIZUEK-QUCCMNQESA-N 1 1 387.430 4.073 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccccc2)cc1OC(F)F ZINC000179680493 822525873 /nfs/dbraw/zinc/52/58/73/822525873.db2.gz MJZSZZOMGBVKNV-UHFFFAOYSA-N 1 1 387.430 4.329 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000179681792 822526324 /nfs/dbraw/zinc/52/63/24/822526324.db2.gz STYBFPXFKXQTKU-WMZOPIPTSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179681792 822526327 /nfs/dbraw/zinc/52/63/27/822526327.db2.gz STYBFPXFKXQTKU-WMZOPIPTSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179681792 822526330 /nfs/dbraw/zinc/52/63/30/822526330.db2.gz STYBFPXFKXQTKU-WMZOPIPTSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)cc1Cl ZINC000183780484 822527585 /nfs/dbraw/zinc/52/75/85/822527585.db2.gz KSEOVKZCNLCSGR-SNVBAGLBSA-N 1 1 377.815 4.326 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2nccn2C(C)C)ccc1OCc1ccncc1 ZINC000179702301 822530852 /nfs/dbraw/zinc/53/08/52/822530852.db2.gz JRPVKUBNOOSJTI-QGZVFWFLSA-N 1 1 380.492 4.297 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)ccc1OCc1ccncc1 ZINC000179706164 822531780 /nfs/dbraw/zinc/53/17/80/822531780.db2.gz HJFKXBHAJJAXSF-QGZVFWFLSA-N 1 1 380.492 4.297 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)CC1 ZINC000046934049 822532316 /nfs/dbraw/zinc/53/23/16/822532316.db2.gz TUZWBRUCNZSUOO-LJQANCHMSA-N 1 1 393.622 4.087 20 0 GIADMO CCOc1ccc(Oc2ccc(NC(=O)NC[C@H]3CC[N@@H+](CC)C3)cc2)cc1 ZINC000046956700 822534108 /nfs/dbraw/zinc/53/41/08/822534108.db2.gz LHXURRGIOCZQFN-QGZVFWFLSA-N 1 1 383.492 4.341 20 0 GIADMO Cc1noc(C)c1COc1cccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000046988745 822535962 /nfs/dbraw/zinc/53/59/62/822535962.db2.gz LXMVVTRRGSZGBV-KRWDZBQOSA-N 1 1 399.535 4.255 20 0 GIADMO CCOc1c(Cl)cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000046988855 822536000 /nfs/dbraw/zinc/53/60/00/822536000.db2.gz XXIIASHWXAGNHK-OAHLLOKOSA-N 1 1 382.932 4.132 20 0 GIADMO Cc1noc(C)c1COc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000046990777 822536037 /nfs/dbraw/zinc/53/60/37/822536037.db2.gz GZCVHACLROYCCE-KRWDZBQOSA-N 1 1 399.535 4.112 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000046991510 822536224 /nfs/dbraw/zinc/53/62/24/822536224.db2.gz SHKIVSHCEVPTNU-KRWDZBQOSA-N 1 1 389.540 4.276 20 0 GIADMO Cc1ccc([C@H](O)CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1 ZINC000047007789 822537289 /nfs/dbraw/zinc/53/72/89/822537289.db2.gz NDRGXCMAVZOAME-OAQYLSRUSA-N 1 1 392.503 4.218 20 0 GIADMO COc1cccc(-c2nc(C[NH2+][C@H](CCCO)c3ccccc3)cs2)c1OC ZINC000179731396 822537355 /nfs/dbraw/zinc/53/73/55/822537355.db2.gz MVDJJXHDYWWOFL-LJQANCHMSA-N 1 1 398.528 4.431 20 0 GIADMO CCO[C@H](CC[NH+](C)C)CN[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183863376 822537731 /nfs/dbraw/zinc/53/77/31/822537731.db2.gz UMRJUFOZPNZVEZ-MJGOQNOKSA-N 1 1 395.341 4.078 20 0 GIADMO CC[C@@H](CNc1ccccc1)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000454810368 822538609 /nfs/dbraw/zinc/53/86/09/822538609.db2.gz NNDUPDIVLZFGBX-QUCCMNQESA-N 1 1 396.535 4.092 20 0 GIADMO Cc1cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1CC(F)(F)F ZINC000047039260 822539198 /nfs/dbraw/zinc/53/91/98/822539198.db2.gz NUCDUWRBRKOBBO-GASCZTMLSA-N 1 1 387.490 4.155 20 0 GIADMO C[C@@H](c1ccc(NC(=O)NC[C@H]2CCCCC2(F)F)cc1)[NH+]1CCOCC1 ZINC000454816747 822539803 /nfs/dbraw/zinc/53/98/03/822539803.db2.gz UCQCFZDVXHSVDH-DOTOQJQBSA-N 1 1 381.467 4.027 20 0 GIADMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454825135 822541381 /nfs/dbraw/zinc/54/13/81/822541381.db2.gz ZYKDMGMUUAVOBE-CVEARBPZSA-N 1 1 391.865 4.347 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454825135 822541386 /nfs/dbraw/zinc/54/13/86/822541386.db2.gz ZYKDMGMUUAVOBE-CVEARBPZSA-N 1 1 391.865 4.347 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000179749795 822542477 /nfs/dbraw/zinc/54/24/77/822542477.db2.gz AXKXTGDKDNOODH-SFHVURJKSA-N 1 1 382.504 4.012 20 0 GIADMO CC(=O)c1csc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000183899923 822542920 /nfs/dbraw/zinc/54/29/20/822542920.db2.gz NZEDSORXXAAFHK-HNNXBMFYSA-N 1 1 384.423 4.002 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C(F)F)c1 ZINC000179753913 822543558 /nfs/dbraw/zinc/54/35/58/822543558.db2.gz ZMEBVLBJQGMACF-IBGZPJMESA-N 1 1 388.458 4.457 20 0 GIADMO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047103693 822544774 /nfs/dbraw/zinc/54/47/74/822544774.db2.gz KBOAKZYGGLZAIY-IEBWSBKVSA-N 1 1 376.460 4.243 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1)c1nccs1 ZINC000183934759 822549870 /nfs/dbraw/zinc/54/98/70/822549870.db2.gz SGWUTVRVJGIUQO-NSHDSACASA-N 1 1 378.548 4.002 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1)c1nccs1 ZINC000183934759 822549872 /nfs/dbraw/zinc/54/98/72/822549872.db2.gz SGWUTVRVJGIUQO-NSHDSACASA-N 1 1 378.548 4.002 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1cc(F)ccc1F ZINC000179782936 822552176 /nfs/dbraw/zinc/55/21/76/822552176.db2.gz BLJIMIBCPMCVJG-HNNXBMFYSA-N 1 1 398.837 4.315 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC)c1cc(F)ccc1F ZINC000179785378 822552576 /nfs/dbraw/zinc/55/25/76/822552576.db2.gz BDIZDXCNVQGBTF-YVEFUNNKSA-N 1 1 378.419 4.050 20 0 GIADMO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)cs1 ZINC000183952019 822552806 /nfs/dbraw/zinc/55/28/06/822552806.db2.gz NONDDLQYBGCMBE-HNNXBMFYSA-N 1 1 395.519 4.496 20 0 GIADMO C[N@@H+](CCCCNC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000454898194 822553185 /nfs/dbraw/zinc/55/31/85/822553185.db2.gz ZPCUENYDLQIRKH-JCNLHEQBSA-N 1 1 383.458 4.125 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000047213694 822554734 /nfs/dbraw/zinc/55/47/34/822554734.db2.gz BRGZPGWOZDZLSU-INIZCTEOSA-N 1 1 386.515 4.013 20 0 GIADMO Cn1cc(-c2cc(CNc3ccccc3C[N@@H+](C)C3CCCCC3)on2)cn1 ZINC000183984557 822557998 /nfs/dbraw/zinc/55/79/98/822557998.db2.gz PRJBZTDTJSOAKA-UHFFFAOYSA-N 1 1 379.508 4.452 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C(=O)N(C)C)c4ccccc4)CC3)c2c1 ZINC000047257374 822559049 /nfs/dbraw/zinc/55/90/49/822559049.db2.gz KWUQSZACZFVBDI-QHCPKHFHSA-N 1 1 389.499 4.095 20 0 GIADMO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000454932245 822559214 /nfs/dbraw/zinc/55/92/14/822559214.db2.gz WPKHORCDLXIIIO-OPECSJNASA-N 1 1 375.944 4.352 20 0 GIADMO Cn1cc(-c2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)cs2)cn1 ZINC000047266109 822560174 /nfs/dbraw/zinc/56/01/74/822560174.db2.gz PSPXTIGYZIYDNM-CQSZACIVSA-N 1 1 379.489 4.064 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2)C[C@@H](C)O1 ZINC000047289995 822562610 /nfs/dbraw/zinc/56/26/10/822562610.db2.gz ADOHQSNWENTDSU-RTBURBONSA-N 1 1 393.531 4.148 20 0 GIADMO CSc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000047324699 822566307 /nfs/dbraw/zinc/56/63/07/822566307.db2.gz SPFCVMTVMGKYRA-UHFFFAOYSA-N 1 1 391.487 4.473 20 0 GIADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1cccc(Cl)c1Cl ZINC000047335242 822567702 /nfs/dbraw/zinc/56/77/02/822567702.db2.gz GEIHRDJXTZGVON-UHFFFAOYSA-N 1 1 394.302 4.147 20 0 GIADMO O=C1OCCN1c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000184078786 822574879 /nfs/dbraw/zinc/57/48/79/822574879.db2.gz GPUWVKCDGWNBLW-NRFANRHFSA-N 1 1 377.419 4.057 20 0 GIADMO Cc1[nH+]ccn1CCCCN[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000179917661 822576649 /nfs/dbraw/zinc/57/66/49/822576649.db2.gz DCRGJAPPBAATHT-OAHLLOKOSA-N 1 1 377.357 4.466 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(-c4ccc5c(c4)CCO5)c3)C2)C1 ZINC000455043739 822579022 /nfs/dbraw/zinc/57/90/22/822579022.db2.gz BDLOVLKULLVBAC-XMMPIXPASA-N 1 1 391.515 4.238 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000179930525 822579121 /nfs/dbraw/zinc/57/91/21/822579121.db2.gz YUCPXOOPBJRWCU-CJNGLKHVSA-N 1 1 376.497 4.082 20 0 GIADMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cn(C)nc3C(C)(C)C)C2)cc1 ZINC000179932835 822579686 /nfs/dbraw/zinc/57/96/86/822579686.db2.gz LQVNMKOSOHKQEM-GOSISDBHSA-N 1 1 397.567 4.060 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184120722 822581628 /nfs/dbraw/zinc/58/16/28/822581628.db2.gz JSLKYCFSQASNGA-ICSRJNTNSA-N 1 1 396.934 4.326 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184120722 822581631 /nfs/dbraw/zinc/58/16/31/822581631.db2.gz JSLKYCFSQASNGA-ICSRJNTNSA-N 1 1 396.934 4.326 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184120747 822581638 /nfs/dbraw/zinc/58/16/38/822581638.db2.gz JSLKYCFSQASNGA-QUCCMNQESA-N 1 1 396.934 4.326 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CC2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184120747 822581641 /nfs/dbraw/zinc/58/16/41/822581641.db2.gz JSLKYCFSQASNGA-QUCCMNQESA-N 1 1 396.934 4.326 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NOCc2ccc(F)cc2)c1 ZINC000184136260 822584132 /nfs/dbraw/zinc/58/41/32/822584132.db2.gz FRIWSJKOUSJJJA-UHFFFAOYSA-N 1 1 382.439 4.447 20 0 GIADMO O=C(Nc1ccncc1F)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184144466 822585309 /nfs/dbraw/zinc/58/53/09/822585309.db2.gz KACWKPFCAULEPE-UHFFFAOYSA-N 1 1 397.281 4.314 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCc2c(F)cc(F)cc2F)[C@@H]1c1cccs1 ZINC000455075428 822585594 /nfs/dbraw/zinc/58/55/94/822585594.db2.gz FEQIIHYGOIXNHC-KZULUSFZSA-N 1 1 397.466 4.048 20 0 GIADMO [NH3+]CC1(CC(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)CCCCC1 ZINC000184161400 822588366 /nfs/dbraw/zinc/58/83/66/822588366.db2.gz NDLKQNGLCAJOLD-UHFFFAOYSA-N 1 1 389.503 4.377 20 0 GIADMO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000184170762 822590040 /nfs/dbraw/zinc/59/00/40/822590040.db2.gz NUFOQHPHEDPEQM-LPHOPBHVSA-N 1 1 387.549 4.255 20 0 GIADMO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000180002635 822593582 /nfs/dbraw/zinc/59/35/82/822593582.db2.gz UZRFMAJASQIXPF-UHFFFAOYSA-N 1 1 389.474 4.236 20 0 GIADMO CC(C)NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000180012233 822596253 /nfs/dbraw/zinc/59/62/53/822596253.db2.gz ATHFSMKMWUFQPZ-SFHVURJKSA-N 1 1 382.838 4.145 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)ccc1OCC(C)C ZINC000047609274 822596522 /nfs/dbraw/zinc/59/65/22/822596522.db2.gz JCVVECZPYJHWOF-SBUREZEXSA-N 1 1 396.531 4.401 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC[N@H+](C2CCC2)C1 ZINC000455146008 822596602 /nfs/dbraw/zinc/59/66/02/822596602.db2.gz OXXGRLAVOLBKIQ-GFCCVEGCSA-N 1 1 387.858 4.280 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000184223734 822598806 /nfs/dbraw/zinc/59/88/06/822598806.db2.gz DQVISQRDJXYKNL-VQIMIIECSA-N 1 1 391.508 4.081 20 0 GIADMO COc1ccccc1S(=O)(=O)CCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000184223734 822598809 /nfs/dbraw/zinc/59/88/09/822598809.db2.gz DQVISQRDJXYKNL-VQIMIIECSA-N 1 1 391.508 4.081 20 0 GIADMO COc1cc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184236203 822600664 /nfs/dbraw/zinc/60/06/64/822600664.db2.gz YHBGBLTVDXCULM-YJBOKZPZSA-N 1 1 392.427 4.204 20 0 GIADMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nc4c(cccc4F)n3CC)ccc2NC1=O ZINC000180034100 822601625 /nfs/dbraw/zinc/60/16/25/822601625.db2.gz VTHIRRNZFRTYJB-SCLBCKFNSA-N 1 1 396.466 4.156 20 0 GIADMO COc1cc([C@@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)ccc1OC(F)F ZINC000180048467 822604257 /nfs/dbraw/zinc/60/42/57/822604257.db2.gz GSLOWRNOYDDVLS-CYBMUJFWSA-N 1 1 393.434 4.010 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)C[C@H](O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000180055056 822605204 /nfs/dbraw/zinc/60/52/04/822605204.db2.gz XQYSIUAGTWBRJE-OXFYSEKESA-N 1 1 392.952 4.024 20 0 GIADMO CCOc1c(Cl)cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Cl ZINC000455198611 822606384 /nfs/dbraw/zinc/60/63/84/822606384.db2.gz ULTNVTVGWADQDR-GOSISDBHSA-N 1 1 386.323 4.342 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c2ccccc2)cc1 ZINC000180060697 822606516 /nfs/dbraw/zinc/60/65/16/822606516.db2.gz KLOHCRRLRDSXNQ-VWLOTQADSA-N 1 1 386.543 4.021 20 0 GIADMO CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)cc1 ZINC000180060385 822606525 /nfs/dbraw/zinc/60/65/25/822606525.db2.gz DBLXUCLLAZPJOZ-CQSZACIVSA-N 1 1 398.532 4.385 20 0 GIADMO CC[C@H](C)Oc1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)ccn1 ZINC000180063908 822607076 /nfs/dbraw/zinc/60/70/76/822607076.db2.gz ORELCDQLDZCOHH-INIZCTEOSA-N 1 1 385.533 4.060 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)c1ccco1 ZINC000047792180 822609354 /nfs/dbraw/zinc/60/93/54/822609354.db2.gz FTEJEFYFOUQTEG-LPHOPBHVSA-N 1 1 387.480 4.172 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21)c1ccco1 ZINC000047792483 822609523 /nfs/dbraw/zinc/60/95/23/822609523.db2.gz XCZKYNFLZSRLPZ-HUUCEWRRSA-N 1 1 379.913 4.072 20 0 GIADMO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797395 822609760 /nfs/dbraw/zinc/60/97/60/822609760.db2.gz SWYKDIAOVWNDJL-QAPCUYQASA-N 1 1 392.490 4.039 20 0 GIADMO COCCN(C(C)=O)c1nc(C[NH2+][C@H](c2ccccc2C)C(C)(C)C)cs1 ZINC000180088555 822612872 /nfs/dbraw/zinc/61/28/72/822612872.db2.gz CVIZFIQNXDCXMF-LJQANCHMSA-N 1 1 389.565 4.328 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)o1 ZINC000180090636 822613438 /nfs/dbraw/zinc/61/34/38/822613438.db2.gz YPLJTJOHGPXDDW-UHFFFAOYSA-N 1 1 396.418 4.138 20 0 GIADMO Cc1cncc([C@H](C)[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)c1 ZINC000184318518 822613866 /nfs/dbraw/zinc/61/38/66/822613866.db2.gz ZPPKQCLYWKQCIU-QWHCGFSZSA-N 1 1 377.282 4.336 20 0 GIADMO Clc1ccccc1[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000180094857 822614297 /nfs/dbraw/zinc/61/42/97/822614297.db2.gz BADJVLHPXRXTKR-MWTRTKDXSA-N 1 1 398.934 4.275 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000180104274 822615839 /nfs/dbraw/zinc/61/58/39/822615839.db2.gz NZHUUVVHUWYEKF-UHFFFAOYSA-N 1 1 386.565 4.354 20 0 GIADMO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1nc2ccccc2n1C ZINC000180105900 822616349 /nfs/dbraw/zinc/61/63/49/822616349.db2.gz LSCKQAUMQDEYMM-XMSQKQJNSA-N 1 1 398.510 4.474 20 0 GIADMO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(OC)cc1 ZINC000180108771 822617049 /nfs/dbraw/zinc/61/70/49/822617049.db2.gz QPHAWJQUDOXAPE-UTKZUKDTSA-N 1 1 386.561 4.279 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(N(C)C)c2C)cc1F ZINC000180109604 822617271 /nfs/dbraw/zinc/61/72/71/822617271.db2.gz CLZHTXPCKGRSSF-UHFFFAOYSA-N 1 1 381.455 4.016 20 0 GIADMO COc1ccc2oc([C@@H](C)[NH2+][C@H](C(=O)NC3CC3)c3ccccc3)c(C)c2c1 ZINC000184337138 822617944 /nfs/dbraw/zinc/61/79/44/822617944.db2.gz LMJJKISCQKBSAV-VFNWGFHPSA-N 1 1 378.472 4.420 20 0 GIADMO Cc1cc2occ(C(=O)N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2cc1C ZINC000184347227 822619770 /nfs/dbraw/zinc/61/97/70/822619770.db2.gz UJYATBRODPKHTC-HDICACEKSA-N 1 1 384.520 4.011 20 0 GIADMO Fc1cccc([C@H]([NH2+]Cc2cccnc2-n2cncn2)c2cccc(Cl)c2)c1 ZINC000180123027 822619873 /nfs/dbraw/zinc/61/98/73/822619873.db2.gz WPOCUUYDFSOIAI-HXUWFJFHSA-N 1 1 393.853 4.334 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2cc(Br)ccc2Cl)[C@@H]1c1ccccc1 ZINC000180125276 822620554 /nfs/dbraw/zinc/62/05/54/822620554.db2.gz CNAGLXIYYDCTJD-IRXDYDNUSA-N 1 1 393.712 4.278 20 0 GIADMO O=C(C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1)N1CCCCCC1 ZINC000047957670 822622621 /nfs/dbraw/zinc/62/26/21/822622621.db2.gz WTGKBXAOKODQTM-UHFFFAOYSA-N 1 1 385.483 4.095 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1nc2ccccc2n1C ZINC000180132922 822622819 /nfs/dbraw/zinc/62/28/19/822622819.db2.gz LSIFWDDUHLCKJW-PBHICJAKSA-N 1 1 382.895 4.073 20 0 GIADMO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1nc(C)cs1 ZINC000184367321 822623093 /nfs/dbraw/zinc/62/30/93/822623093.db2.gz HTIORWKEVGCMMP-QGZVFWFLSA-N 1 1 380.579 4.264 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(OC(F)F)c2)[C@H](C)C1 ZINC000180135751 822623547 /nfs/dbraw/zinc/62/35/47/822623547.db2.gz MONCSUJGYIZDJA-BXUZGUMPSA-N 1 1 375.847 4.135 20 0 GIADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)C1 ZINC000048047620 822626671 /nfs/dbraw/zinc/62/66/71/822626671.db2.gz RJHILPZUOIDYFR-GOSISDBHSA-N 1 1 397.588 4.204 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000048055130 822627550 /nfs/dbraw/zinc/62/75/50/822627550.db2.gz XFRYCNZMNPBOQP-UHFFFAOYSA-N 1 1 382.346 4.342 20 0 GIADMO CSc1c(F)cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000184396739 822628043 /nfs/dbraw/zinc/62/80/43/822628043.db2.gz FMRQVRJIMRYTQI-SJCJKPOMSA-N 1 1 381.492 4.167 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1nc(C)cs1 ZINC000184408485 822629676 /nfs/dbraw/zinc/62/96/76/822629676.db2.gz ACHFAPLSONWIOP-HTQZYQBOSA-N 1 1 393.381 4.215 20 0 GIADMO CCCCOC(=O)c1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000048079266 822629991 /nfs/dbraw/zinc/62/99/91/822629991.db2.gz RALYYARBIDHXTB-UHFFFAOYSA-N 1 1 389.540 4.228 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180166513 822630983 /nfs/dbraw/zinc/63/09/83/822630983.db2.gz JORCJHFYLJFGCV-NHCUHLMSSA-N 1 1 394.906 4.009 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1sccc1Br ZINC000048094412 822631232 /nfs/dbraw/zinc/63/12/32/822631232.db2.gz HOOCRWISJHRJRO-ZDUSSCGKSA-N 1 1 383.311 4.061 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)CCCc2nc3ccccc3s2)[C@@H]1c1ccccc1 ZINC000180171092 822632022 /nfs/dbraw/zinc/63/20/22/822632022.db2.gz HZCFKMXPWBEZKN-GCJKJVERSA-N 1 1 379.529 4.181 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccc(N2CCCCC2)c2ncccc12)C1CC1 ZINC000455312311 822632735 /nfs/dbraw/zinc/63/27/35/822632735.db2.gz OQYCEBIEOUHZMA-UHFFFAOYSA-N 1 1 395.551 4.221 20 0 GIADMO CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000048120600 822635128 /nfs/dbraw/zinc/63/51/28/822635128.db2.gz DBWFWOVRQLYNIY-UHFFFAOYSA-N 1 1 389.446 4.150 20 0 GIADMO Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180199674 822638111 /nfs/dbraw/zinc/63/81/11/822638111.db2.gz WYWXYJYXKROGIE-GHTZIAJQSA-N 1 1 395.890 4.479 20 0 GIADMO C[C@@H](NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180199291 822638167 /nfs/dbraw/zinc/63/81/67/822638167.db2.gz MCIWYQXOYZUNQJ-CVEARBPZSA-N 1 1 397.954 4.498 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C(F)F)cc1 ZINC000184462427 822639817 /nfs/dbraw/zinc/63/98/17/822639817.db2.gz LBAAHVIJHIKZHF-LJQANCHMSA-N 1 1 387.474 4.288 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000184463144 822640216 /nfs/dbraw/zinc/64/02/16/822640216.db2.gz PIWBDQUHYINGJM-CQSZACIVSA-N 1 1 378.419 4.174 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000184463144 822640218 /nfs/dbraw/zinc/64/02/18/822640218.db2.gz PIWBDQUHYINGJM-CQSZACIVSA-N 1 1 378.419 4.174 20 0 GIADMO COc1cc(-c2nc(C[N@H+](Cc3ccccc3)CC(C)(C)O)cs2)ccc1O ZINC000180211936 822640402 /nfs/dbraw/zinc/64/04/02/822640402.db2.gz BHSZQHDLVSCVDL-UHFFFAOYSA-N 1 1 398.528 4.297 20 0 GIADMO COc1cc(-c2nc(C[N@@H+](Cc3ccccc3)CC(C)(C)O)cs2)ccc1O ZINC000180211936 822640403 /nfs/dbraw/zinc/64/04/03/822640403.db2.gz BHSZQHDLVSCVDL-UHFFFAOYSA-N 1 1 398.528 4.297 20 0 GIADMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000180221789 822642038 /nfs/dbraw/zinc/64/20/38/822642038.db2.gz SOTDGSIWXGBMJJ-UHFFFAOYSA-N 1 1 380.532 4.086 20 0 GIADMO COc1cc(C[NH2+][C@H](CCO)c2ccco2)ccc1OCc1ccc(F)cc1 ZINC000184500369 822646095 /nfs/dbraw/zinc/64/60/95/822646095.db2.gz RTCOTTAOHSYMEV-LJQANCHMSA-N 1 1 385.435 4.220 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)C2)C1 ZINC000455419191 822650241 /nfs/dbraw/zinc/65/02/41/822650241.db2.gz ZFNPXOQMBSCLLG-INIZCTEOSA-N 1 1 375.822 4.308 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(Cl)ccc3C(F)(F)F)C2)C1 ZINC000455419192 822650262 /nfs/dbraw/zinc/65/02/62/822650262.db2.gz ZFNPXOQMBSCLLG-MRXNPFEDSA-N 1 1 375.822 4.308 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000180271539 822651972 /nfs/dbraw/zinc/65/19/72/822651972.db2.gz CYVAWYOQBWAEEF-UHFFFAOYSA-N 1 1 379.504 4.168 20 0 GIADMO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 ZINC000184532426 822652358 /nfs/dbraw/zinc/65/23/58/822652358.db2.gz RDHXBCHQUMPSHW-AWEZNQCLSA-N 1 1 385.920 4.431 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cn3nc(Cl)c4ccccc43)CC2)n1 ZINC000180275288 822652723 /nfs/dbraw/zinc/65/27/23/822652723.db2.gz RRVGFKVZPWCAFV-UHFFFAOYSA-N 1 1 383.805 4.200 20 0 GIADMO CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184537800 822653380 /nfs/dbraw/zinc/65/33/80/822653380.db2.gz QCMRQVQIHCNUED-INIZCTEOSA-N 1 1 395.528 4.176 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC(C)C ZINC000180280963 822654290 /nfs/dbraw/zinc/65/42/90/822654290.db2.gz ZMDJUKWPLRHXFP-QMTYFTJSSA-N 1 1 375.534 4.413 20 0 GIADMO O=C(CCCCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000048346187 822654875 /nfs/dbraw/zinc/65/48/75/822654875.db2.gz GSZGDNDIDJFVJX-UHFFFAOYSA-N 1 1 378.516 4.164 20 0 GIADMO O=C(CCCCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000048346187 822654877 /nfs/dbraw/zinc/65/48/77/822654877.db2.gz GSZGDNDIDJFVJX-UHFFFAOYSA-N 1 1 378.516 4.164 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)C1 ZINC000180284021 822655024 /nfs/dbraw/zinc/65/50/24/822655024.db2.gz YSDUPZOARHBAKA-IBGZPJMESA-N 1 1 391.519 4.034 20 0 GIADMO CCCOc1cc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1OC ZINC000180285025 822655223 /nfs/dbraw/zinc/65/52/23/822655223.db2.gz UEVGUIMVDQETEF-QMTYFTJSSA-N 1 1 375.534 4.414 20 0 GIADMO CC(=O)Nc1cc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)ccc1C ZINC000048361261 822656279 /nfs/dbraw/zinc/65/62/79/822656279.db2.gz VWIOLHBYNFQNEI-UHFFFAOYSA-N 1 1 382.508 4.115 20 0 GIADMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000184559573 822657352 /nfs/dbraw/zinc/65/73/52/822657352.db2.gz UWPWSQRVXAUKHR-FGZHOGPDSA-N 1 1 380.536 4.085 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184559133 822657401 /nfs/dbraw/zinc/65/74/01/822657401.db2.gz WKULXGMSBTYBHJ-NHCUHLMSSA-N 1 1 397.567 4.030 20 0 GIADMO COc1cc(C[NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)ccc1C ZINC000180299528 822659177 /nfs/dbraw/zinc/65/91/77/822659177.db2.gz MUFCESAMWQOOFT-HSZRJFAPSA-N 1 1 395.524 4.286 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000048402264 822659894 /nfs/dbraw/zinc/65/98/94/822659894.db2.gz REWFUOMQMAHSHQ-UHFFFAOYSA-N 1 1 385.321 4.172 20 0 GIADMO Cc1c(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cccc1-c1ncco1 ZINC000455476706 822661872 /nfs/dbraw/zinc/66/18/72/822661872.db2.gz AKGJLJLWTDMVCR-INIZCTEOSA-N 1 1 390.487 4.218 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(F)cc2Br)C1 ZINC000048451452 822662988 /nfs/dbraw/zinc/66/29/88/822662988.db2.gz UZXMYXNZADGBGN-CYBMUJFWSA-N 1 1 386.309 4.222 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ncn(C3CCCCC3)n2)cc1 ZINC000184609240 822665279 /nfs/dbraw/zinc/66/52/79/822665279.db2.gz FMEKLACVBXTPHR-OAHLLOKOSA-N 1 1 393.495 4.160 20 0 GIADMO Cn1cc([C@@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337104 822665810 /nfs/dbraw/zinc/66/58/10/822665810.db2.gz UQUJPOOZYPENKE-JTSKRJEESA-N 1 1 398.551 4.212 20 0 GIADMO Cn1cc([C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337124 822665860 /nfs/dbraw/zinc/66/58/60/822665860.db2.gz UQUJPOOZYPENKE-VGOFRKELSA-N 1 1 398.551 4.212 20 0 GIADMO Cn1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000180340081 822666341 /nfs/dbraw/zinc/66/63/41/822666341.db2.gz IHCXMDLTZWBZHP-UHFFFAOYSA-N 1 1 377.332 4.404 20 0 GIADMO Cn1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000180340081 822666343 /nfs/dbraw/zinc/66/63/43/822666343.db2.gz IHCXMDLTZWBZHP-UHFFFAOYSA-N 1 1 377.332 4.404 20 0 GIADMO Cc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1-c1ccncc1 ZINC000455511316 822668669 /nfs/dbraw/zinc/66/86/69/822668669.db2.gz QEISLORUZDPCAK-QGZVFWFLSA-N 1 1 378.520 4.395 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(OCC#N)c2)C1 ZINC000048509298 822668823 /nfs/dbraw/zinc/66/88/23/822668823.db2.gz JXGFWSATOBDEDG-SFHVURJKSA-N 1 1 392.503 4.143 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1F)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455540983 822672514 /nfs/dbraw/zinc/67/25/14/822672514.db2.gz MDHGTUZVSWKUPM-HZPDHXFCSA-N 1 1 389.421 4.090 20 0 GIADMO Cc1cc(CNC(=O)Nc2cccc(-c3ncco3)c2C)cc(N2CCCC2)[nH+]1 ZINC000455546971 822673276 /nfs/dbraw/zinc/67/32/76/822673276.db2.gz YFAABMMELPVRDS-UHFFFAOYSA-N 1 1 391.475 4.275 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000184672092 822673592 /nfs/dbraw/zinc/67/35/92/822673592.db2.gz XBQMATSWGULTAL-UTKZUKDTSA-N 1 1 396.560 4.245 20 0 GIADMO C[C@H](NC(=O)Nc1cc(F)cc(F)c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455554336 822674143 /nfs/dbraw/zinc/67/41/43/822674143.db2.gz PRIGCPUNRUOBAG-DZGCQCFKSA-N 1 1 377.410 4.136 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(F)cc(F)c1F ZINC000455570901 822676342 /nfs/dbraw/zinc/67/63/42/822676342.db2.gz XKJLIJISYIYACH-LBPRGKRZSA-N 1 1 383.439 4.199 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N[C@H](c2ccccc2)C(F)F)[C@@H]1c1cccs1 ZINC000455587665 822679282 /nfs/dbraw/zinc/67/92/82/822679282.db2.gz GLNUETYSUDAYHL-KBAYOESNSA-N 1 1 393.503 4.437 20 0 GIADMO CC(C)Sc1cc(Br)ccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000180425825 822679605 /nfs/dbraw/zinc/67/96/05/822679605.db2.gz ORXRLLAQPQSWID-UHFFFAOYSA-N 1 1 395.370 4.378 20 0 GIADMO Cc1c[nH+]c(NCc2ccc([C@H](C)O)cc2)nc1NCc1ccc([C@@H](C)O)cc1 ZINC000180430018 822680317 /nfs/dbraw/zinc/68/03/17/822680317.db2.gz FQLXSQFJLJEBRX-SJORKVTESA-N 1 1 392.503 4.116 20 0 GIADMO O=C(NCCC1CC(F)(F)C1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455598443 822681698 /nfs/dbraw/zinc/68/16/98/822681698.db2.gz NVMWFDGQZUEMSJ-NRFANRHFSA-N 1 1 391.506 4.120 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Br)c(C3CC3)n2)C[C@@H]1C ZINC000455600719 822681951 /nfs/dbraw/zinc/68/19/51/822681951.db2.gz RINAXJLIOSJESC-GXTWGEPZSA-N 1 1 395.345 4.058 20 0 GIADMO Brc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000048776352 822682003 /nfs/dbraw/zinc/68/20/03/822682003.db2.gz DLLYMKAVTPNIRZ-UHFFFAOYSA-N 1 1 382.305 4.413 20 0 GIADMO C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000180438356 822682162 /nfs/dbraw/zinc/68/21/62/822682162.db2.gz KRZYBTZPJKUZCT-VGSWGCGISA-N 1 1 389.946 4.042 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000180446202 822683391 /nfs/dbraw/zinc/68/33/91/822683391.db2.gz MNMQYTUSIMITOR-VGOFRKELSA-N 1 1 382.504 4.221 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C3CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000455621180 822685548 /nfs/dbraw/zinc/68/55/48/822685548.db2.gz QJUNFDMYNUXGNW-PXNSSMCTSA-N 1 1 378.520 4.476 20 0 GIADMO C[N@@H+](CCCCNC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1)C1CC1 ZINC000455624930 822686149 /nfs/dbraw/zinc/68/61/49/822686149.db2.gz WZSPOYOQBUIQRY-UHFFFAOYSA-N 1 1 381.923 4.275 20 0 GIADMO CCC(CC)n1nc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1C ZINC000180466468 822687223 /nfs/dbraw/zinc/68/72/23/822687223.db2.gz BWYUUVIDAOWZPQ-KRWDZBQOSA-N 1 1 388.581 4.256 20 0 GIADMO C[C@@H](NCc1sccc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000180479990 822688784 /nfs/dbraw/zinc/68/87/84/822688784.db2.gz PDOONXJFERQAOM-CYBMUJFWSA-N 1 1 383.355 4.302 20 0 GIADMO C[C@H](NCc1sccc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000180480179 822689035 /nfs/dbraw/zinc/68/90/35/822689035.db2.gz YXXRSLXJMQOFCR-ZDUSSCGKSA-N 1 1 383.355 4.302 20 0 GIADMO C[C@H]([NH2+]Cc1cnc(Cl)s1)c1cc2c(cc1Br)OCCO2 ZINC000180484029 822689364 /nfs/dbraw/zinc/68/93/64/822689364.db2.gz VDCJWLRYTNFNCD-QMMMGPOBSA-N 1 1 389.702 4.181 20 0 GIADMO CSCc1ccccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000184777410 822689423 /nfs/dbraw/zinc/68/94/23/822689423.db2.gz PDRLRHMEUQMHQJ-KRWDZBQOSA-N 1 1 399.560 4.092 20 0 GIADMO CSCc1ccccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000184777410 822689425 /nfs/dbraw/zinc/68/94/25/822689425.db2.gz PDRLRHMEUQMHQJ-KRWDZBQOSA-N 1 1 399.560 4.092 20 0 GIADMO CCCn1c(C)nnc1C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184786932 822690955 /nfs/dbraw/zinc/69/09/55/822690955.db2.gz PMYWTXNRSMUASZ-CYBMUJFWSA-N 1 1 385.537 4.288 20 0 GIADMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3nnc(C4CCC4)n3C)s2)cc1 ZINC000184794459 822691987 /nfs/dbraw/zinc/69/19/87/822691987.db2.gz OJUWYJNGTKODPH-ZDUSSCGKSA-N 1 1 397.548 4.374 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(OC(F)F)c1 ZINC000180504935 822692603 /nfs/dbraw/zinc/69/26/03/822692603.db2.gz JXPZEBYBQLGJNA-ZBFHGGJFSA-N 1 1 383.460 4.446 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000455656907 822692838 /nfs/dbraw/zinc/69/28/38/822692838.db2.gz CDSVNVSCVMYMPT-UGKGYDQZSA-N 1 1 393.531 4.319 20 0 GIADMO CCN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455659597 822693740 /nfs/dbraw/zinc/69/37/40/822693740.db2.gz GPBFVJFSGMCCCF-GMAHTHKFSA-N 1 1 393.531 4.319 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000180521451 822695432 /nfs/dbraw/zinc/69/54/32/822695432.db2.gz MQIOZSMRZKTYHQ-KRWDZBQOSA-N 1 1 395.334 4.129 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000180521451 822695435 /nfs/dbraw/zinc/69/54/35/822695435.db2.gz MQIOZSMRZKTYHQ-KRWDZBQOSA-N 1 1 395.334 4.129 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000184839052 822698188 /nfs/dbraw/zinc/69/81/88/822698188.db2.gz LTCBQTDJROSSMY-GOSISDBHSA-N 1 1 392.421 4.087 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)N[C@H]1CCOc2ccccc21 ZINC000180548043 822700293 /nfs/dbraw/zinc/70/02/93/822700293.db2.gz ZZLQGTWEFUQOEE-DLBZAZTESA-N 1 1 396.384 4.049 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000049409741 822700719 /nfs/dbraw/zinc/70/07/19/822700719.db2.gz LHCIFSPXGJFHBU-MRXNPFEDSA-N 1 1 382.291 4.426 20 0 GIADMO O=c1cc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)nc2ccc(Cl)cn12 ZINC000180553580 822701284 /nfs/dbraw/zinc/70/12/84/822701284.db2.gz NUSSRCDGUCMARS-OAHLLOKOSA-N 1 1 399.775 4.270 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180567828 822703802 /nfs/dbraw/zinc/70/38/02/822703802.db2.gz IPZDWZATUMSMBY-QGZVFWFLSA-N 1 1 397.372 4.006 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1cccnc1Cl ZINC000180575832 822705374 /nfs/dbraw/zinc/70/53/74/822705374.db2.gz VIADHJAVQUUGJB-CYBMUJFWSA-N 1 1 375.753 4.096 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c(SC)cc1OC ZINC000180601091 822709066 /nfs/dbraw/zinc/70/90/66/822709066.db2.gz JYHWYMHMKMRTOY-CVEARBPZSA-N 1 1 377.506 4.107 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccccc1OCc1cccnc1)c1ccco1 ZINC000180603662 822709978 /nfs/dbraw/zinc/70/99/78/822709978.db2.gz JZKYXGTWOJHIRM-SFTDATJTSA-N 1 1 378.472 4.342 20 0 GIADMO COc1cc(C[N@H+](C)Cc2cc(Br)cn2C)cc(Cl)c1OC ZINC000180614318 822712817 /nfs/dbraw/zinc/71/28/17/822712817.db2.gz ZREHNQDWEZXGHE-UHFFFAOYSA-N 1 1 387.705 4.090 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cc(Br)cn2C)cc(Cl)c1OC ZINC000180614318 822712820 /nfs/dbraw/zinc/71/28/20/822712820.db2.gz ZREHNQDWEZXGHE-UHFFFAOYSA-N 1 1 387.705 4.090 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3cc(C(=O)OC)sc32)C[C@H]1C ZINC000455724081 822714066 /nfs/dbraw/zinc/71/40/66/822714066.db2.gz ZSNFQNBFBKZRGF-UKRRQHHQSA-N 1 1 389.521 4.024 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000050026864 822714872 /nfs/dbraw/zinc/71/48/72/822714872.db2.gz AHVBBQSIKDMRPP-NRFANRHFSA-N 1 1 393.531 4.019 20 0 GIADMO O=C(Nc1ccccc1OCCF)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455729007 822715485 /nfs/dbraw/zinc/71/54/85/822715485.db2.gz BIKQAZRFEMTRGN-HSZRJFAPSA-N 1 1 397.494 4.165 20 0 GIADMO CCCn1ncc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)c1C1CC1 ZINC000455747306 822718891 /nfs/dbraw/zinc/71/88/91/822718891.db2.gz GHBQUERJFMLYFH-FQEVSTJZSA-N 1 1 395.551 4.299 20 0 GIADMO CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCc2ccccc21 ZINC000050137057 822719990 /nfs/dbraw/zinc/71/99/90/822719990.db2.gz MVDJSBOMCIXYFJ-UWJYYQICSA-N 1 1 383.561 4.289 20 0 GIADMO CCCn1ncc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000455761783 822721619 /nfs/dbraw/zinc/72/16/19/822721619.db2.gz ZBWKCDCQVXJNDL-UHFFFAOYSA-N 1 1 383.540 4.203 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[N@@H+](Cc3ccccn3)C(C)C)cc(=O)oc2c1 ZINC000050206875 822721843 /nfs/dbraw/zinc/72/18/43/822721843.db2.gz PFMDKHRDRZUOPU-UHFFFAOYSA-N 1 1 395.459 4.167 20 0 GIADMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)N[C@H]1CCOc2ccccc21 ZINC000050273426 822723313 /nfs/dbraw/zinc/72/33/13/822723313.db2.gz QSZZDYJTNBVPQL-PGRDOPGGSA-N 1 1 396.487 4.206 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)Nc1ccccc1C(C)(F)F ZINC000455777587 822724914 /nfs/dbraw/zinc/72/49/14/822724914.db2.gz UPOKWSKNHWOJIP-LPHOPBHVSA-N 1 1 388.462 4.350 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3c4ccccc4CCC[C@H]3C)CC2)cs1 ZINC000185027226 822726863 /nfs/dbraw/zinc/72/68/63/822726863.db2.gz BBCVDOVVGNAWTB-ZHRRBRCNSA-N 1 1 397.588 4.493 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3c(C)oc4ccccc43)CC2)cc1 ZINC000185033365 822727477 /nfs/dbraw/zinc/72/74/77/822727477.db2.gz RSFJQWXENBCEJJ-UHFFFAOYSA-N 1 1 378.472 4.098 20 0 GIADMO O=C(NC1CC1)[C@@H]([NH2+]Cc1cc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000185038831 822728044 /nfs/dbraw/zinc/72/80/44/822728044.db2.gz YQPMHCXESMBHQI-IBGZPJMESA-N 1 1 398.304 4.040 20 0 GIADMO CCC(CC)[C@H](CNC(=O)Nc1ccccc1C(C)(F)F)[NH+]1CCOCC1 ZINC000455817266 822731607 /nfs/dbraw/zinc/73/16/07/822731607.db2.gz XYYOKEWMADMYOY-SFHVURJKSA-N 1 1 383.483 4.057 20 0 GIADMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(-c2ccccc2)o1 ZINC000185072845 822733024 /nfs/dbraw/zinc/73/30/24/822733024.db2.gz OPUCHJIMBMAZRX-DYESRHJHSA-N 1 1 389.499 4.433 20 0 GIADMO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1scnc1C(C)C)c1ccccc1 ZINC000455852929 822737217 /nfs/dbraw/zinc/73/72/17/822737217.db2.gz WDSYDUMREHDFRZ-KRWDZBQOSA-N 1 1 390.553 4.098 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CSCC)cc2)[C@@H](C)C1 ZINC000455864397 822739245 /nfs/dbraw/zinc/73/92/45/822739245.db2.gz RAAQSCXTOVXVON-FXAWDEMLSA-N 1 1 393.597 4.198 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(CSCC)cc2)[C@@H](C)C1 ZINC000455864398 822739265 /nfs/dbraw/zinc/73/92/65/822739265.db2.gz RAAQSCXTOVXVON-PXNSSMCTSA-N 1 1 393.597 4.198 20 0 GIADMO Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@@H](CCO)c3ccco3)cc2)c1 ZINC000185126100 822740280 /nfs/dbraw/zinc/74/02/80/822740280.db2.gz DJNLYVBGWVZGEZ-FQEVSTJZSA-N 1 1 380.444 4.032 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185155516 822743739 /nfs/dbraw/zinc/74/37/39/822743739.db2.gz VVLQKBLRINPAKZ-LLVKDONJSA-N 1 1 381.354 4.034 20 0 GIADMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000185155498 822743824 /nfs/dbraw/zinc/74/38/24/822743824.db2.gz VVLQKBLRINPAKZ-NSHDSACASA-N 1 1 381.354 4.034 20 0 GIADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000185176768 822745716 /nfs/dbraw/zinc/74/57/16/822745716.db2.gz IERYKISGHZMGCR-MDYRTPRTSA-N 1 1 388.939 4.024 20 0 GIADMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)s1 ZINC000051098503 822746523 /nfs/dbraw/zinc/74/65/23/822746523.db2.gz HFKZQGOCYCMUEK-UHFFFAOYSA-N 1 1 399.491 4.245 20 0 GIADMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000051117797 822746606 /nfs/dbraw/zinc/74/66/06/822746606.db2.gz ZXJNNWJDIQUIIE-QZTJIDSGSA-N 1 1 384.501 4.184 20 0 GIADMO CCc1ccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000455910072 822747199 /nfs/dbraw/zinc/74/71/99/822747199.db2.gz PKIIJFJESXXLSM-OAQYLSRUSA-N 1 1 396.535 4.171 20 0 GIADMO CCOc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133433 822747435 /nfs/dbraw/zinc/74/74/35/822747435.db2.gz DDPAYRAECKXNBG-WMZHIEFXSA-N 1 1 382.504 4.124 20 0 GIADMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051133233 822747596 /nfs/dbraw/zinc/74/75/96/822747596.db2.gz ZAQXKAVIKNOILO-WMZHIEFXSA-N 1 1 382.504 4.124 20 0 GIADMO CC[C@@H](C[N@H+](CC)Cn1nc(-c2ccccn2)n(C)c1=S)c1ccccc1 ZINC000185215162 822750141 /nfs/dbraw/zinc/75/01/41/822750141.db2.gz SCXAXRLQQYPETI-KRWDZBQOSA-N 1 1 381.549 4.486 20 0 GIADMO CC[C@@H](C[N@@H+](CC)Cn1nc(-c2ccccn2)n(C)c1=S)c1ccccc1 ZINC000185215162 822750142 /nfs/dbraw/zinc/75/01/42/822750142.db2.gz SCXAXRLQQYPETI-KRWDZBQOSA-N 1 1 381.549 4.486 20 0 GIADMO C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000185243318 822753896 /nfs/dbraw/zinc/75/38/96/822753896.db2.gz ISNCYBDZWWIMPU-YSGRDPCXSA-N 1 1 386.927 4.130 20 0 GIADMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)C2CC2)cc1OC ZINC000051284039 822754159 /nfs/dbraw/zinc/75/41/59/822754159.db2.gz BMMNZBYRBSAPSN-NRFANRHFSA-N 1 1 394.515 4.032 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)C2CC2)cc1OC ZINC000051284039 822754160 /nfs/dbraw/zinc/75/41/60/822754160.db2.gz BMMNZBYRBSAPSN-NRFANRHFSA-N 1 1 394.515 4.032 20 0 GIADMO CC(C)CCc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc1 ZINC000455969299 822759006 /nfs/dbraw/zinc/75/90/06/822759006.db2.gz WUTGBMFWMFICAO-UNMCSNQZSA-N 1 1 395.551 4.222 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cccc(Cl)c1Cl ZINC000185295512 822761113 /nfs/dbraw/zinc/76/11/13/822761113.db2.gz QGKOIAFTTGMOPT-CYBMUJFWSA-N 1 1 399.343 4.384 20 0 GIADMO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000051531150 822764306 /nfs/dbraw/zinc/76/43/06/822764306.db2.gz YXOAKJSGFUKEMM-HRAATJIYSA-N 1 1 384.545 4.181 20 0 GIADMO Cn1ccnc1COc1ccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000185314405 822764355 /nfs/dbraw/zinc/76/43/55/822764355.db2.gz AANCSONZCFRRHO-KRWDZBQOSA-N 1 1 383.442 4.267 20 0 GIADMO Cc1cnc([C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C2CC2)s1 ZINC000185318350 822765019 /nfs/dbraw/zinc/76/50/19/822765019.db2.gz DLJVWDHTXJVBFQ-IBGZPJMESA-N 1 1 381.501 4.215 20 0 GIADMO Cc1nc(NC(=O)N2CCC[N@H+](C)CC2)sc1Cc1cccc(Cl)c1F ZINC000456021158 822767509 /nfs/dbraw/zinc/76/75/09/822767509.db2.gz KRPWINVGSRTELN-UHFFFAOYSA-N 1 1 396.919 4.004 20 0 GIADMO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1 ZINC000185337759 822768006 /nfs/dbraw/zinc/76/80/06/822768006.db2.gz SVCXRPIRKFONCX-TZIWHRDSSA-N 1 1 399.560 4.255 20 0 GIADMO Cc1cnc([C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C2CC2)s1 ZINC000185344813 822768971 /nfs/dbraw/zinc/76/89/71/822768971.db2.gz RHYZKMNUBDWRLN-LPHOPBHVSA-N 1 1 382.533 4.136 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)[C@@H](C)c2ccccc2OC)cc1 ZINC000051649444 822771578 /nfs/dbraw/zinc/77/15/78/822771578.db2.gz JOJUWXBJXIWJNN-LAUBAEHRSA-N 1 1 382.504 4.060 20 0 GIADMO Cc1ccccc1-c1ccc(Cl)c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000456078057 822775081 /nfs/dbraw/zinc/77/50/81/822775081.db2.gz YYEZNDVLQAANHQ-UHFFFAOYSA-N 1 1 399.966 4.071 20 0 GIADMO CN(C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C(C1CC1)C1CC1 ZINC000051809844 822779440 /nfs/dbraw/zinc/77/94/40/822779440.db2.gz MXUWHEHKBVQPEZ-UHFFFAOYSA-N 1 1 397.563 4.037 20 0 GIADMO Cn1cccc1[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000174395562 822783747 /nfs/dbraw/zinc/78/37/47/822783747.db2.gz IGTCFVYCBGZZOV-SIKLNZKXSA-N 1 1 383.511 4.130 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2c(OC(C)C)ccc3ccccc32)C1 ZINC000185438575 822783911 /nfs/dbraw/zinc/78/39/11/822783911.db2.gz KFVAOCINSVHNFI-SFHVURJKSA-N 1 1 383.536 4.110 20 0 GIADMO CNC(=O)c1ccc(C[NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)cc1 ZINC000185442352 822784322 /nfs/dbraw/zinc/78/43/22/822784322.db2.gz JRMYFANJQQQZTM-SFHVURJKSA-N 1 1 395.503 4.476 20 0 GIADMO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)[nH]1 ZINC000185441328 822784418 /nfs/dbraw/zinc/78/44/18/822784418.db2.gz NODIHQFOMCTXBV-INIZCTEOSA-N 1 1 398.507 4.146 20 0 GIADMO Cc1sc(NC(=O)CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1C ZINC000174401823 822785013 /nfs/dbraw/zinc/78/50/13/822785013.db2.gz UMFNAYCBQPKSJH-FQEVSTJZSA-N 1 1 385.577 4.066 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000185449914 822785981 /nfs/dbraw/zinc/78/59/81/822785981.db2.gz BIUFOLGZEGKHGW-AWEZNQCLSA-N 1 1 388.924 4.330 20 0 GIADMO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1OC ZINC000174406965 822786108 /nfs/dbraw/zinc/78/61/08/822786108.db2.gz QNQUKTNSSWYYPB-SFHVURJKSA-N 1 1 391.895 4.205 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1cccc2ccccc21 ZINC000051992709 822786264 /nfs/dbraw/zinc/78/62/64/822786264.db2.gz JPZJDFHVOSTOQN-UHFFFAOYSA-N 1 1 387.483 4.037 20 0 GIADMO C[C@@H](NC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000185466627 822787672 /nfs/dbraw/zinc/78/76/72/822787672.db2.gz BKDRUVYURAUJJO-LJQANCHMSA-N 1 1 388.511 4.001 20 0 GIADMO O=C(Nc1ccc(F)c(Br)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000174427078 822788509 /nfs/dbraw/zinc/78/85/09/822788509.db2.gz WSTVIVRUIMNBBE-UHFFFAOYSA-N 1 1 384.293 4.070 20 0 GIADMO C[C@H]1C[C@@H](C(=O)Nc2scnc2-c2ccc(Br)cc2)CC[N@H+]1C ZINC000456233487 822788764 /nfs/dbraw/zinc/78/87/64/822788764.db2.gz ANBKDQKDDUDGNS-AAEUAGOBSA-N 1 1 394.338 4.241 20 0 GIADMO Fc1ccc(OCc2noc(C[N@@H+]3CCC[C@@H]3Cc3cccc(F)c3)n2)cc1 ZINC000052034961 822788869 /nfs/dbraw/zinc/78/88/69/822788869.db2.gz PQEOYDNLHBKXFG-GOSISDBHSA-N 1 1 385.414 4.134 20 0 GIADMO Fc1ccc(OCc2noc(C[N@H+]3CCC[C@@H]3Cc3cccc(F)c3)n2)cc1 ZINC000052034961 822788870 /nfs/dbraw/zinc/78/88/70/822788870.db2.gz PQEOYDNLHBKXFG-GOSISDBHSA-N 1 1 385.414 4.134 20 0 GIADMO CCc1cccc(CC)c1NC(=O)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185485833 822789597 /nfs/dbraw/zinc/78/95/97/822789597.db2.gz PZZUPGIOEPZIJZ-QGZVFWFLSA-N 1 1 385.577 4.190 20 0 GIADMO Cc1cccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1Br ZINC000185486195 822789669 /nfs/dbraw/zinc/78/96/69/822789669.db2.gz SFOKKEWWVFSNSB-UHFFFAOYSA-N 1 1 380.330 4.240 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000185492823 822790270 /nfs/dbraw/zinc/79/02/70/822790270.db2.gz TXLXPOHMAOKDRP-AWEZNQCLSA-N 1 1 388.924 4.330 20 0 GIADMO O=C(c1ccc(F)cc1)N1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185493790 822790431 /nfs/dbraw/zinc/79/04/31/822790431.db2.gz NUOZKHUSBHHOQA-UHFFFAOYSA-N 1 1 386.433 4.342 20 0 GIADMO C[C@H](NC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1)c1cccc2ccccc21 ZINC000185498634 822791075 /nfs/dbraw/zinc/79/10/75/822791075.db2.gz YLSBXNFHCSOFQC-IBGZPJMESA-N 1 1 388.511 4.001 20 0 GIADMO COc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000174452671 822791676 /nfs/dbraw/zinc/79/16/76/822791676.db2.gz ZKOLENYKLJYGAU-KRWDZBQOSA-N 1 1 387.911 4.334 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2cccc(Cl)c2)cc1OC ZINC000052162393 822791772 /nfs/dbraw/zinc/79/17/72/822791772.db2.gz MHJPOWUJORLCGP-OAHLLOKOSA-N 1 1 390.911 4.009 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2cccc(Cl)c2)cc1OC ZINC000052162393 822791774 /nfs/dbraw/zinc/79/17/74/822791774.db2.gz MHJPOWUJORLCGP-OAHLLOKOSA-N 1 1 390.911 4.009 20 0 GIADMO CC(C)Cn1ccnc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000174454310 822792168 /nfs/dbraw/zinc/79/21/68/822792168.db2.gz WSUOPQZKWNYBJJ-UHFFFAOYSA-N 1 1 386.503 4.077 20 0 GIADMO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccn(-c2ccccc2)n1 ZINC000052187828 822792891 /nfs/dbraw/zinc/79/28/91/822792891.db2.gz GPYZASXHFCSZTR-UHFFFAOYSA-N 1 1 386.858 4.125 20 0 GIADMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccn(-c2ccccc2)n1 ZINC000052187828 822792892 /nfs/dbraw/zinc/79/28/92/822792892.db2.gz GPYZASXHFCSZTR-UHFFFAOYSA-N 1 1 386.858 4.125 20 0 GIADMO CC(C)c1ccc(-c2noc(C[NH+]3CCC(O)(c4ccccc4)CC3)n2)cc1 ZINC000185519968 822792938 /nfs/dbraw/zinc/79/29/38/822792938.db2.gz TYHOULLNYDYXNL-UHFFFAOYSA-N 1 1 377.488 4.344 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(O)(c4ccccc4)CC3)n2)cc1F ZINC000185523032 822793262 /nfs/dbraw/zinc/79/32/62/822793262.db2.gz SRSWVAQQHUOWHH-INIZCTEOSA-N 1 1 381.451 4.229 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000174466045 822794147 /nfs/dbraw/zinc/79/41/47/822794147.db2.gz YYOQSGVPGSYUAS-GOSISDBHSA-N 1 1 389.499 4.422 20 0 GIADMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482260 822795463 /nfs/dbraw/zinc/79/54/63/822795463.db2.gz VWRUGQPXFHGQIH-KDOFPFPSSA-N 1 1 394.313 4.135 20 0 GIADMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2nnc(-c3ccccc3Br)o2)C1(C)C ZINC000174482260 822795466 /nfs/dbraw/zinc/79/54/66/822795466.db2.gz VWRUGQPXFHGQIH-KDOFPFPSSA-N 1 1 394.313 4.135 20 0 GIADMO C[C@H](CCc1ccccc1)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174483562 822795580 /nfs/dbraw/zinc/79/55/80/822795580.db2.gz HYVZOIAXAZUWNN-NFBKMPQASA-N 1 1 379.548 4.171 20 0 GIADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(Cc2ccco2)CC1 ZINC000052282176 822795642 /nfs/dbraw/zinc/79/56/42/822795642.db2.gz CPLGPRFKLJXDAP-LJQANCHMSA-N 1 1 389.499 4.411 20 0 GIADMO CC(C)Cc1nnc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000174505305 822798201 /nfs/dbraw/zinc/79/82/01/822798201.db2.gz RCBIQNHRFNDGCA-BBRMVZONSA-N 1 1 393.582 4.003 20 0 GIADMO CCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174509335 822798719 /nfs/dbraw/zinc/79/87/19/822798719.db2.gz WDYRFZIUSCGUMD-HIFRSBDPSA-N 1 1 387.446 4.441 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000174519097 822800022 /nfs/dbraw/zinc/80/00/22/822800022.db2.gz IYAIPTVTGKQNPT-FGTMMUONSA-N 1 1 383.561 4.146 20 0 GIADMO COc1ccc(N2CCC[N@H+](Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000052466817 822800887 /nfs/dbraw/zinc/80/08/87/822800887.db2.gz MJLMKBROZBAIEM-UHFFFAOYSA-N 1 1 386.446 4.152 20 0 GIADMO COc1ccc(N2CCC[N@@H+](Cc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000052466817 822800891 /nfs/dbraw/zinc/80/08/91/822800891.db2.gz MJLMKBROZBAIEM-UHFFFAOYSA-N 1 1 386.446 4.152 20 0 GIADMO CCC(CC)n1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1C ZINC000456351845 822801223 /nfs/dbraw/zinc/80/12/23/822801223.db2.gz XCSZHAROFBWVLP-SFHVURJKSA-N 1 1 382.552 4.147 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456352585 822801575 /nfs/dbraw/zinc/80/15/75/822801575.db2.gz YGPNFXZNODXUDE-GOSISDBHSA-N 1 1 382.552 4.147 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000174547331 822803523 /nfs/dbraw/zinc/80/35/23/822803523.db2.gz GABCFSOUUSZTLJ-UHFFFAOYSA-N 1 1 392.341 4.297 20 0 GIADMO Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000052612181 822805226 /nfs/dbraw/zinc/80/52/26/822805226.db2.gz MHSRMBIDSSREHW-QUCCMNQESA-N 1 1 391.515 4.063 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185640239 822805504 /nfs/dbraw/zinc/80/55/04/822805504.db2.gz VQGJWWOCRQEFEC-GFCCVEGCSA-N 1 1 380.847 4.181 20 0 GIADMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000185640096 822805565 /nfs/dbraw/zinc/80/55/65/822805565.db2.gz QZSCSYJAFBZGNX-QGZVFWFLSA-N 1 1 377.257 4.024 20 0 GIADMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)cc1 ZINC000185640096 822805568 /nfs/dbraw/zinc/80/55/68/822805568.db2.gz QZSCSYJAFBZGNX-QGZVFWFLSA-N 1 1 377.257 4.024 20 0 GIADMO COC(=O)c1oc([C@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1C ZINC000185652105 822806929 /nfs/dbraw/zinc/80/69/29/822806929.db2.gz MEODQHUTMGKZLD-QWRGUYRKSA-N 1 1 387.402 4.162 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052685436 822807195 /nfs/dbraw/zinc/80/71/95/822807195.db2.gz KOUVFUPVBIPZHB-LJQANCHMSA-N 1 1 399.579 4.252 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)Nc2ccc([NH+]3CCCC3)cc2C)cc1OC ZINC000052774340 822810145 /nfs/dbraw/zinc/81/01/45/822810145.db2.gz DWNBNEGDDNDSOX-INIZCTEOSA-N 1 1 383.492 4.052 20 0 GIADMO C[N@@H+](CCCc1ccccc1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000052802750 822810831 /nfs/dbraw/zinc/81/08/31/822810831.db2.gz JVLQIDQKNSLXJS-UHFFFAOYSA-N 1 1 397.263 4.230 20 0 GIADMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc2ccccc2c1 ZINC000185697892 822811133 /nfs/dbraw/zinc/81/11/33/822811133.db2.gz HTPHQLYVOGISER-BBTUJRGHSA-N 1 1 379.548 4.409 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NCc1cccc(OCC(F)(F)F)c1 ZINC000052804509 822811360 /nfs/dbraw/zinc/81/13/60/822811360.db2.gz BGQSBZAYHJWCNM-QGZVFWFLSA-N 1 1 398.450 4.143 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NCc1cccc(OCC(F)(F)F)c1 ZINC000052804509 822811363 /nfs/dbraw/zinc/81/13/63/822811363.db2.gz BGQSBZAYHJWCNM-QGZVFWFLSA-N 1 1 398.450 4.143 20 0 GIADMO COc1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2csc3ccccc23)cc1OC ZINC000052805951 822811484 /nfs/dbraw/zinc/81/14/84/822811484.db2.gz UYIDOANZPYFIFM-HNNXBMFYSA-N 1 1 398.528 4.055 20 0 GIADMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000052825633 822812278 /nfs/dbraw/zinc/81/22/78/822812278.db2.gz PASQQKXVKAHQLQ-UHFFFAOYSA-N 1 1 389.455 4.035 20 0 GIADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4s3)CC2)cc1F ZINC000052823938 822812352 /nfs/dbraw/zinc/81/23/52/822812352.db2.gz YZEDVGZEJMULLO-UHFFFAOYSA-N 1 1 397.519 4.272 20 0 GIADMO Brc1ccc(C2([NH2+]Cc3nc4ccccc4o3)CCOCC2)cc1 ZINC000052833921 822812573 /nfs/dbraw/zinc/81/25/73/822812573.db2.gz IUPHJTHUEUNDNA-UHFFFAOYSA-N 1 1 387.277 4.386 20 0 GIADMO C[C@H](NCc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709142 822812636 /nfs/dbraw/zinc/81/26/36/822812636.db2.gz MVRFSJAEXJSTSS-KBPBESRZSA-N 1 1 381.351 4.384 20 0 GIADMO COc1ccc(-c2noc([C@@H](C)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)cc1 ZINC000185712088 822813140 /nfs/dbraw/zinc/81/31/40/822813140.db2.gz INCGIPKKGXATEE-LZLYRXPVSA-N 1 1 384.524 4.049 20 0 GIADMO Cc1ccc2c(C[NH+]3CCC(C(=O)c4cc(F)ccc4F)CC3)cc(=O)oc2c1 ZINC000052872687 822813726 /nfs/dbraw/zinc/81/37/26/822813726.db2.gz WSEMAJVSPBOSJX-UHFFFAOYSA-N 1 1 397.421 4.475 20 0 GIADMO COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174634426 822815354 /nfs/dbraw/zinc/81/53/54/822815354.db2.gz ZBQSVYAWTKKKHR-HSZRJFAPSA-N 1 1 395.524 4.286 20 0 GIADMO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccncc2)c2ccc(Cl)cc2)c1 ZINC000174635603 822815629 /nfs/dbraw/zinc/81/56/29/822815629.db2.gz HZKWWUUIZOBDME-HXUWFJFHSA-N 1 1 386.904 4.018 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000052954871 822816682 /nfs/dbraw/zinc/81/66/82/822816682.db2.gz QTAMKIWAEMGEIB-HNNXBMFYSA-N 1 1 391.968 4.387 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753563 822817860 /nfs/dbraw/zinc/81/78/60/822817860.db2.gz KWWPOQUDYRLKCO-YESZJQIVSA-N 1 1 377.960 4.218 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc3ccccc32)c(OC)c1 ZINC000053017351 822818719 /nfs/dbraw/zinc/81/87/19/822818719.db2.gz BCCKNQCRAUQRGD-MRXNPFEDSA-N 1 1 378.472 4.316 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000174659057 822819606 /nfs/dbraw/zinc/81/96/06/822819606.db2.gz QYYOTOASQSXPPD-HNNXBMFYSA-N 1 1 392.341 4.297 20 0 GIADMO CC(C)[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)CC1 ZINC000174667362 822820956 /nfs/dbraw/zinc/82/09/56/822820956.db2.gz VSGALSGKAVWTND-UHFFFAOYSA-N 1 1 380.467 4.428 20 0 GIADMO C[NH+](C)[C@H](CNc1ncccc1C(=O)N1CCCCC1)c1ccccc1Cl ZINC000174672232 822821595 /nfs/dbraw/zinc/82/15/95/822821595.db2.gz CSMWMFPWMWBDTB-LJQANCHMSA-N 1 1 386.927 4.076 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000053111515 822822279 /nfs/dbraw/zinc/82/22/79/822822279.db2.gz HTKFJCWSQWHGOX-UHFFFAOYSA-N 1 1 391.437 4.376 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000053111515 822822283 /nfs/dbraw/zinc/82/22/83/822822283.db2.gz HTKFJCWSQWHGOX-UHFFFAOYSA-N 1 1 391.437 4.376 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000053140063 822823288 /nfs/dbraw/zinc/82/32/88/822823288.db2.gz ABAHFQQAOXFRMQ-LJQANCHMSA-N 1 1 395.547 4.188 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000053179513 822825002 /nfs/dbraw/zinc/82/50/02/822825002.db2.gz FZQBQSFAJWBZKN-UHFFFAOYSA-N 1 1 394.906 4.357 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C ZINC000053182745 822825125 /nfs/dbraw/zinc/82/51/25/822825125.db2.gz FXHSLGSIMMELGU-KRWDZBQOSA-N 1 1 392.503 4.091 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3C[C@@H](C)C[C@H]3c3ccccc3F)CC2)[nH+]c1 ZINC000174703745 822825664 /nfs/dbraw/zinc/82/56/64/822825664.db2.gz OQNXAVRWAUBWQU-UWJYYQICSA-N 1 1 381.495 4.355 20 0 GIADMO Cc1ccccc1C([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccccc1C ZINC000185858967 822827944 /nfs/dbraw/zinc/82/79/44/822827944.db2.gz NVJWSOLIHMSJGB-UHFFFAOYSA-N 1 1 375.497 4.252 20 0 GIADMO Cc1ccccc1C([NH2+]Cc1cc(=O)n2cccc(C)c2n1)c1ccccc1C ZINC000185864484 822828155 /nfs/dbraw/zinc/82/81/55/822828155.db2.gz YGWBKSRVBUWAON-UHFFFAOYSA-N 1 1 383.495 4.499 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000053269935 822828609 /nfs/dbraw/zinc/82/86/09/822828609.db2.gz FRWUUUYNGBWZOA-HNNXBMFYSA-N 1 1 389.908 4.398 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000185871773 822828889 /nfs/dbraw/zinc/82/88/89/822828889.db2.gz PTLDNQLSVLHZQV-MRXNPFEDSA-N 1 1 377.985 4.184 20 0 GIADMO CC(C)CCc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)nc1 ZINC000456778172 822830386 /nfs/dbraw/zinc/83/03/86/822830386.db2.gz HCQXNZQJHSCVHM-UHFFFAOYSA-N 1 1 385.418 4.441 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2Oc2ccccc2)[C@H](C)C1 ZINC000174781189 822836211 /nfs/dbraw/zinc/83/62/11/822836211.db2.gz NKEGMMWLJOVQTN-NQIIRXRSSA-N 1 1 381.520 4.080 20 0 GIADMO CCC[C@@H]1CCCC[C@H]1CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000456839100 822837021 /nfs/dbraw/zinc/83/70/21/822837021.db2.gz OJPPMGUPWGMMHK-MJGOQNOKSA-N 1 1 377.598 4.386 20 0 GIADMO CC[C@H]([NH2+]C[C@@H](O)COc1cc(C)cc(C)c1)c1nc(C(F)(F)F)cs1 ZINC000185960102 822837571 /nfs/dbraw/zinc/83/75/71/822837571.db2.gz JZGSGYCZDTWBBO-HIFRSBDPSA-N 1 1 388.455 4.259 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccco1 ZINC000053524972 822838974 /nfs/dbraw/zinc/83/89/74/822838974.db2.gz DLNGRTQNTFAUEN-KRWDZBQOSA-N 1 1 398.532 4.081 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(Br)cc2Cl)cn1 ZINC000053546810 822840167 /nfs/dbraw/zinc/84/01/67/822840167.db2.gz QWGUZXQOVHOMCC-UHFFFAOYSA-N 1 1 391.656 4.244 20 0 GIADMO COc1cc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc(Br)c1OC ZINC000185977944 822840210 /nfs/dbraw/zinc/84/02/10/822840210.db2.gz MQDAXSVPSHSGCG-SNVBAGLBSA-N 1 1 384.245 4.162 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)c1nnc2ccccn21 ZINC000053601553 822842222 /nfs/dbraw/zinc/84/22/22/822842222.db2.gz NXYFNNUTXJBXBP-MRXNPFEDSA-N 1 1 376.435 4.298 20 0 GIADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(Cc1ccco1)Cc1cccs1 ZINC000053602812 822842377 /nfs/dbraw/zinc/84/23/77/822842377.db2.gz DWSLKEOCDFXYOV-IBGZPJMESA-N 1 1 395.528 4.327 20 0 GIADMO C[N@@H+](Cc1cc(-c2cccs2)on1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174827946 822842701 /nfs/dbraw/zinc/84/27/01/822842701.db2.gz PUHXJFWWKMMMAF-UHFFFAOYSA-N 1 1 377.510 4.234 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2n1C(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828485 822842807 /nfs/dbraw/zinc/84/28/07/822842807.db2.gz PACZIRNVQVAHEM-UHFFFAOYSA-N 1 1 394.466 4.263 20 0 GIADMO Cc1ccc(-c2nc(C(=O)N3CC[NH2+][C@H](c4ccccc4)C3)cs2)c(C)c1 ZINC000456982220 822844569 /nfs/dbraw/zinc/84/45/69/822844569.db2.gz GNEWFUWBIUACSR-IBGZPJMESA-N 1 1 377.513 4.214 20 0 GIADMO C[C@@](Cc1ccccc1)(NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C1CC1 ZINC000457006935 822846023 /nfs/dbraw/zinc/84/60/23/822846023.db2.gz CGVRZJCAOARUBH-QFIPXVFZSA-N 1 1 396.441 4.346 20 0 GIADMO Cc1sc2nc([C@H](C)[N@H+](C)CCCOc3ccccc3C)[nH]c(=O)c2c1C ZINC000053721627 822846075 /nfs/dbraw/zinc/84/60/75/822846075.db2.gz LUJUNPLFOCIZKO-HNNXBMFYSA-N 1 1 385.533 4.372 20 0 GIADMO Cc1sc2nc([C@H](C)[N@@H+](C)CCCOc3ccccc3C)[nH]c(=O)c2c1C ZINC000053721627 822846077 /nfs/dbraw/zinc/84/60/77/822846077.db2.gz LUJUNPLFOCIZKO-HNNXBMFYSA-N 1 1 385.533 4.372 20 0 GIADMO CCCO[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000174853404 822846679 /nfs/dbraw/zinc/84/66/79/822846679.db2.gz WSQYWKRICYMNNP-LJQANCHMSA-N 1 1 381.582 4.039 20 0 GIADMO CCCO[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000174853404 822846682 /nfs/dbraw/zinc/84/66/82/822846682.db2.gz WSQYWKRICYMNNP-LJQANCHMSA-N 1 1 381.582 4.039 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](C)CCOC(c2ccccc2)c2ccccc2)cc1 ZINC000053810633 822848985 /nfs/dbraw/zinc/84/89/85/822848985.db2.gz UPMORNGTYKLDED-UHFFFAOYSA-N 1 1 388.511 4.284 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(NC(=O)c4ccccc4)CC3)o2)cc1 ZINC000053943587 822853448 /nfs/dbraw/zinc/85/34/48/822853448.db2.gz NDORKTQNLAOJQN-QGZVFWFLSA-N 1 1 390.487 4.000 20 0 GIADMO Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457116029 822854794 /nfs/dbraw/zinc/85/47/94/822854794.db2.gz LAYLZSNCZQMSSX-GFCCVEGCSA-N 1 1 385.455 4.178 20 0 GIADMO CCSCc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000186140626 822854979 /nfs/dbraw/zinc/85/49/79/822854979.db2.gz PPELQXPMEDYDLY-INIZCTEOSA-N 1 1 379.570 4.044 20 0 GIADMO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174913942 822854995 /nfs/dbraw/zinc/85/49/95/822854995.db2.gz OLLJENRNOMVLTM-UXLLHSPISA-N 1 1 399.457 4.119 20 0 GIADMO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174913942 822854999 /nfs/dbraw/zinc/85/49/99/822854999.db2.gz OLLJENRNOMVLTM-UXLLHSPISA-N 1 1 399.457 4.119 20 0 GIADMO Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000174913961 822855049 /nfs/dbraw/zinc/85/50/49/822855049.db2.gz OLLJENRNOMVLTM-BFYDXBDKSA-N 1 1 399.457 4.119 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1-n1cccc1 ZINC000174918569 822855861 /nfs/dbraw/zinc/85/58/61/822855861.db2.gz QCVPVUMIZZLECH-LJQANCHMSA-N 1 1 379.529 4.133 20 0 GIADMO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1N(C)C ZINC000174918521 822855941 /nfs/dbraw/zinc/85/59/41/822855941.db2.gz SCEXPDJSEBJRIA-JXFKEZNVSA-N 1 1 386.565 4.327 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC[N@H+]1C ZINC000174928645 822857385 /nfs/dbraw/zinc/85/73/85/822857385.db2.gz OHNMKIMXHDHWFN-JXFKEZNVSA-N 1 1 385.483 4.351 20 0 GIADMO CCc1cccc2c(CC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH]c21 ZINC000174935792 822858014 /nfs/dbraw/zinc/85/80/14/822858014.db2.gz AWJYCTZOMOFWJO-FQEVSTJZSA-N 1 1 389.543 4.253 20 0 GIADMO CC(=O)Nc1cccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000054011046 822858485 /nfs/dbraw/zinc/85/84/85/822858485.db2.gz DBCPLVICHNCNOE-UHFFFAOYSA-N 1 1 376.460 4.266 20 0 GIADMO CC(C)c1c(C(=O)NCCCC[N@@H+](C)C2CC2)cnn1-c1ccccc1Cl ZINC000457165752 822858451 /nfs/dbraw/zinc/85/84/51/822858451.db2.gz KTEXUCFVIMSVDT-UHFFFAOYSA-N 1 1 388.943 4.253 20 0 GIADMO CC(=O)c1ccc(Oc2ccc(C(=O)NCCCC[N@H+](C)C3CC3)cc2)cc1 ZINC000457168011 822858590 /nfs/dbraw/zinc/85/85/90/822858590.db2.gz NAEGELXURMUSSF-UHFFFAOYSA-N 1 1 380.488 4.286 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000054012159 822858882 /nfs/dbraw/zinc/85/88/82/822858882.db2.gz VNVWWJJZVQCSDS-UHFFFAOYSA-N 1 1 391.397 4.059 20 0 GIADMO CSCCCCCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000186192484 822859629 /nfs/dbraw/zinc/85/96/29/822859629.db2.gz QDRGQDQQWZEFLH-UHFFFAOYSA-N 1 1 383.989 4.091 20 0 GIADMO CSCCCCCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000186192484 822859630 /nfs/dbraw/zinc/85/96/30/822859630.db2.gz QDRGQDQQWZEFLH-UHFFFAOYSA-N 1 1 383.989 4.091 20 0 GIADMO Cc1nc(-c2c[nH]c(C(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)cs1 ZINC000174953495 822860641 /nfs/dbraw/zinc/86/06/41/822860641.db2.gz ABSMIKOBQJDXDY-GOSISDBHSA-N 1 1 394.544 4.041 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457212039 822860851 /nfs/dbraw/zinc/86/08/51/822860851.db2.gz WRPKNUAPGHPLCW-UHFFFAOYSA-N 1 1 377.941 4.376 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1Br ZINC000174957185 822861016 /nfs/dbraw/zinc/86/10/16/822861016.db2.gz LDTRGMYCOKVAFQ-KRWDZBQOSA-N 1 1 387.321 4.043 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c2ccccc12 ZINC000174957817 822861198 /nfs/dbraw/zinc/86/11/98/822861198.db2.gz AWQIKESHOLGVKX-HXUWFJFHSA-N 1 1 375.516 4.081 20 0 GIADMO Cc1cc(C(=O)CCC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000174957928 822861219 /nfs/dbraw/zinc/86/12/19/822861219.db2.gz PGWAVPILXLOKLC-FQEVSTJZSA-N 1 1 398.572 4.308 20 0 GIADMO C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000054122209 822863109 /nfs/dbraw/zinc/86/31/09/822863109.db2.gz OIDVSLXJCCIAOH-LAUBAEHRSA-N 1 1 384.495 4.209 20 0 GIADMO C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000054122209 822863113 /nfs/dbraw/zinc/86/31/13/822863113.db2.gz OIDVSLXJCCIAOH-LAUBAEHRSA-N 1 1 384.495 4.209 20 0 GIADMO CC(C)c1nc([C@H](C)[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cs1 ZINC000186254797 822865537 /nfs/dbraw/zinc/86/55/37/822865537.db2.gz RQGHSQDFNFOATA-CABCVRRESA-N 1 1 387.549 4.336 20 0 GIADMO C[C@@H]1CCN(C(=O)C[NH2+]C2(c3nccs3)CCCC2)c2ccccc2S1 ZINC000175015388 822867631 /nfs/dbraw/zinc/86/76/31/822867631.db2.gz KVETTYIZQLRHQN-OAHLLOKOSA-N 1 1 387.574 4.420 20 0 GIADMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+]C1(c2nccs2)CCCC1 ZINC000175015590 822867671 /nfs/dbraw/zinc/86/76/71/822867671.db2.gz CDQFGALUMJSMDQ-UHFFFAOYSA-N 1 1 398.359 4.467 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3C(F)(F)F)CCCC2)n1 ZINC000175017883 822868092 /nfs/dbraw/zinc/86/80/92/822868092.db2.gz VNGZQTZIACXRMG-UHFFFAOYSA-N 1 1 383.439 4.468 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)CCCC2)n1 ZINC000175021884 822868967 /nfs/dbraw/zinc/86/89/67/822868967.db2.gz JVPPGHOHJXVXOK-AWEZNQCLSA-N 1 1 393.503 4.308 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)Cc1cccs1 ZINC000175022671 822869222 /nfs/dbraw/zinc/86/92/22/822869222.db2.gz CAYWYOLBFKQMBA-ICSRJNTNSA-N 1 1 385.577 4.233 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c(Br)c1 ZINC000569011833 822869479 /nfs/dbraw/zinc/86/94/79/822869479.db2.gz IJMNMHSQIZCDPP-QGZVFWFLSA-N 1 1 378.241 4.152 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)c3cc4c(s3)CCCCC4)cc2)CC1 ZINC000569012345 822869636 /nfs/dbraw/zinc/86/96/36/822869636.db2.gz JWGMTFOYRFJVIF-UHFFFAOYSA-N 1 1 383.561 4.017 20 0 GIADMO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457379779 822871522 /nfs/dbraw/zinc/87/15/22/822871522.db2.gz ULIQYCWUACENOC-CXAGYDPISA-N 1 1 376.932 4.437 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(Cl)cc(F)c3N)C2)s1 ZINC000569036527 822871910 /nfs/dbraw/zinc/87/19/10/822871910.db2.gz HJQANGKIEDXAHM-CYBMUJFWSA-N 1 1 395.931 4.025 20 0 GIADMO COc1cccc(OC)c1OCCCC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000569047067 822873414 /nfs/dbraw/zinc/87/34/14/822873414.db2.gz NPDLRGCABHQJDJ-AZUAARDMSA-N 1 1 385.504 4.325 20 0 GIADMO CCC(CC)(OC)c1noc([C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000569056156 822874626 /nfs/dbraw/zinc/87/46/26/822874626.db2.gz XRKWLFKDICZRNA-SFHVURJKSA-N 1 1 397.441 4.437 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)NC(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000569055798 822874747 /nfs/dbraw/zinc/87/47/47/822874747.db2.gz SCUJNHHVEQPEGP-HNNXBMFYSA-N 1 1 396.373 4.024 20 0 GIADMO Cc1ccc(-c2noc(CCCN3CC[N@H+](C)CC34CCCCC4)n2)cc1F ZINC000175063391 822876275 /nfs/dbraw/zinc/87/62/75/822876275.db2.gz GSBWPEXJNIYFDQ-UHFFFAOYSA-N 1 1 386.515 4.067 20 0 GIADMO Cc1ccc(-c2noc(CCC[N@H+]3CCN(C)CC34CCCCC4)n2)cc1F ZINC000175063391 822876277 /nfs/dbraw/zinc/87/62/77/822876277.db2.gz GSBWPEXJNIYFDQ-UHFFFAOYSA-N 1 1 386.515 4.067 20 0 GIADMO Cc1ccc(-c2noc(CCC[N@@H+]3CCN(C)CC34CCCCC4)n2)cc1F ZINC000175063391 822876281 /nfs/dbraw/zinc/87/62/81/822876281.db2.gz GSBWPEXJNIYFDQ-UHFFFAOYSA-N 1 1 386.515 4.067 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000054324631 822876619 /nfs/dbraw/zinc/87/66/19/822876619.db2.gz DQWJKEARNWXZGL-UHFFFAOYSA-N 1 1 387.568 4.143 20 0 GIADMO Cc1cnc([C@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C2CC2)s1 ZINC000186331231 822877249 /nfs/dbraw/zinc/87/72/49/822877249.db2.gz LIKLEHLHRFFVMV-WOJBJXKFSA-N 1 1 398.576 4.112 20 0 GIADMO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186332743 822877391 /nfs/dbraw/zinc/87/73/91/822877391.db2.gz ODMBHBUMMYQZCL-FGZHOGPDSA-N 1 1 380.536 4.085 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2[nH]ccc2C2CC2)c1 ZINC000457466492 822877779 /nfs/dbraw/zinc/87/77/79/822877779.db2.gz RVWMFZNMZGMMDL-CQSZACIVSA-N 1 1 398.482 4.096 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2[nH]ccc2C2CC2)c1 ZINC000457466492 822877783 /nfs/dbraw/zinc/87/77/83/822877783.db2.gz RVWMFZNMZGMMDL-CQSZACIVSA-N 1 1 398.482 4.096 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccccc2OC(F)F)C1 ZINC000054355982 822877971 /nfs/dbraw/zinc/87/79/71/822877971.db2.gz QEGNMJAPJPKKHC-ZBFHGGJFSA-N 1 1 375.419 4.245 20 0 GIADMO O=C(c1ccsc1)N1CCC[N@H+](CCCOc2ccc(Cl)cc2)CC1 ZINC000054362665 822878496 /nfs/dbraw/zinc/87/84/96/822878496.db2.gz HYRBPEKHMXJZOK-UHFFFAOYSA-N 1 1 378.925 4.019 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1Sc1ccccc1 ZINC000186342339 822878601 /nfs/dbraw/zinc/87/86/01/822878601.db2.gz OSDWQICQYIVXLG-UHFFFAOYSA-N 1 1 381.501 4.038 20 0 GIADMO CC[C@@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1nccs1 ZINC000175082494 822879124 /nfs/dbraw/zinc/87/91/24/822879124.db2.gz XJMYCCJROYIVGV-HXUWFJFHSA-N 1 1 379.529 4.413 20 0 GIADMO CC(C)Nc1ncccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175083759 822879417 /nfs/dbraw/zinc/87/94/17/822879417.db2.gz UJAQZPDAJKNJHD-AZUAARDMSA-N 1 1 380.536 4.027 20 0 GIADMO C[C@@H]1CC[C@@H](CCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000175087359 822879791 /nfs/dbraw/zinc/87/97/91/822879791.db2.gz BNBKYRXWOZFUKW-APWZRJJASA-N 1 1 398.469 4.087 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1)CC(F)(F)F ZINC000186349845 822879963 /nfs/dbraw/zinc/87/99/63/822879963.db2.gz AYBUBFWQLXISPT-INIZCTEOSA-N 1 1 386.458 4.038 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2(c3cccc(F)c3)CCCCC2)cc1 ZINC000175099936 822882076 /nfs/dbraw/zinc/88/20/76/822882076.db2.gz PUXROLOTOMPFKA-UHFFFAOYSA-N 1 1 397.494 4.166 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC000175099802 822882212 /nfs/dbraw/zinc/88/22/12/822882212.db2.gz CYWIJQGPZAJDEN-GOSISDBHSA-N 1 1 394.519 4.082 20 0 GIADMO CC(C)=CCSc1ccccc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000175101078 822882444 /nfs/dbraw/zinc/88/24/44/822882444.db2.gz NFPRVMBZFGKSJG-UHFFFAOYSA-N 1 1 397.544 4.497 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@]2(C)CCCCO2)CC1 ZINC000457503675 822882990 /nfs/dbraw/zinc/88/29/90/822882990.db2.gz MNVKNBNNFJRDOW-HXUWFJFHSA-N 1 1 398.469 4.087 20 0 GIADMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1c(C)nn(-c2ccccn2)c1C ZINC000569142176 822883362 /nfs/dbraw/zinc/88/33/62/822883362.db2.gz DWXJWVZZFBIZAS-HXUWFJFHSA-N 1 1 376.504 4.100 20 0 GIADMO CCc1ccc([C@H](CN[C@H](c2cccs2)c2nnc[nH]2)[NH+](CC)CC)cc1 ZINC000569146161 822883745 /nfs/dbraw/zinc/88/37/45/822883745.db2.gz NTVFDPZZAHDOKJ-AZUAARDMSA-N 1 1 383.565 4.191 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccccc2Cc2ccccc2)cc1 ZINC000175111675 822884372 /nfs/dbraw/zinc/88/43/72/822884372.db2.gz HJGMBPTXTRESHY-UHFFFAOYSA-N 1 1 387.483 4.030 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(/C=C\c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000569153952 822885036 /nfs/dbraw/zinc/88/50/36/822885036.db2.gz AUSLMKIUUOIRSW-QNRLHKFMSA-N 1 1 379.382 4.185 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc(/C=C\c3cccc(C(F)(F)F)c3)n1)OC2 ZINC000569153952 822885038 /nfs/dbraw/zinc/88/50/38/822885038.db2.gz AUSLMKIUUOIRSW-QNRLHKFMSA-N 1 1 379.382 4.185 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000054436932 822885542 /nfs/dbraw/zinc/88/55/42/822885542.db2.gz IWTNGNNBYGEMDS-UWJYYQICSA-N 1 1 394.519 4.382 20 0 GIADMO CCCC[N@H+](Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S)[C@H](C)CC ZINC000054472112 822888169 /nfs/dbraw/zinc/88/81/69/822888169.db2.gz LRXKCRBEIWSNIN-OAHLLOKOSA-N 1 1 375.542 4.220 20 0 GIADMO CCCC[N@@H+](Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S)[C@H](C)CC ZINC000054472112 822888173 /nfs/dbraw/zinc/88/81/73/822888173.db2.gz LRXKCRBEIWSNIN-OAHLLOKOSA-N 1 1 375.542 4.220 20 0 GIADMO CC1(C)OCc2cc(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc2O1 ZINC000569172411 822888504 /nfs/dbraw/zinc/88/85/04/822888504.db2.gz VAJQHXCVGBPYHY-VWLOTQADSA-N 1 1 392.543 4.430 20 0 GIADMO Cc1ccc([C@@H](CNC(=O)c2sc(C)cc2Br)[NH+]2CCCC2)o1 ZINC000457545316 822888607 /nfs/dbraw/zinc/88/86/07/822888607.db2.gz YDXSMJHMJPVJCW-CQSZACIVSA-N 1 1 397.338 4.287 20 0 GIADMO CC(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175133361 822889039 /nfs/dbraw/zinc/88/90/39/822889039.db2.gz KIYBZALABMCLRN-UZLBHIALSA-N 1 1 399.560 4.009 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)COC(C)(C)O2)c1nc(-c2cccnc2)no1 ZINC000186407167 822889497 /nfs/dbraw/zinc/88/94/97/822889497.db2.gz IZOIIZKXIKBHTC-IBGZPJMESA-N 1 1 394.475 4.264 20 0 GIADMO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000175135367 822889552 /nfs/dbraw/zinc/88/95/52/822889552.db2.gz XNZFUUZAEZVRLZ-PXNSSMCTSA-N 1 1 399.560 4.009 20 0 GIADMO Cc1cnc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000186416840 822891183 /nfs/dbraw/zinc/89/11/83/822891183.db2.gz FDZYWUIOSRAHHM-DZGCQCFKSA-N 1 1 383.521 4.110 20 0 GIADMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000054510976 822891812 /nfs/dbraw/zinc/89/18/12/822891812.db2.gz SNAPRXSTHWBQNW-HNNXBMFYSA-N 1 1 384.351 4.399 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Br)co2)CC[N@H+]1Cc1ccccc1 ZINC000457572493 822893120 /nfs/dbraw/zinc/89/31/20/822893120.db2.gz IVLNDXRCQMXFNR-RHSMWYFYSA-N 1 1 391.309 4.167 20 0 GIADMO CC(=O)Nc1cccc(-n2cnn(C[N@@H+]3CCC[C@H]3C3CCCCC3)c2=S)c1 ZINC000054549884 822894833 /nfs/dbraw/zinc/89/48/33/822894833.db2.gz MSPOYLKRGLDYST-FQEVSTJZSA-N 1 1 399.564 4.364 20 0 GIADMO CC(=O)Nc1cccc(-n2cnn(C[N@H+]3CCC[C@H]3C3CCCCC3)c2=S)c1 ZINC000054549884 822894838 /nfs/dbraw/zinc/89/48/38/822894838.db2.gz MSPOYLKRGLDYST-FQEVSTJZSA-N 1 1 399.564 4.364 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cs1)C1CC1 ZINC000186437425 822895431 /nfs/dbraw/zinc/89/54/31/822895431.db2.gz RIVDDMQDEGWHGU-MRXNPFEDSA-N 1 1 383.439 4.094 20 0 GIADMO Cc1c(Cl)cncc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000457623545 822898219 /nfs/dbraw/zinc/89/82/19/822898219.db2.gz WUBUMPSAIFQPSI-JOCHJYFZSA-N 1 1 383.923 4.172 20 0 GIADMO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)CCCc1cccnc1 ZINC000457645047 822900434 /nfs/dbraw/zinc/90/04/34/822900434.db2.gz ILEYDGFZDNOIIT-IBGZPJMESA-N 1 1 382.552 4.132 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCC1(c2ccccc2Br)CC1 ZINC000175189885 822900720 /nfs/dbraw/zinc/90/07/20/822900720.db2.gz LPGFJKHJIYOWOD-UHFFFAOYSA-N 1 1 390.325 4.007 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)CC[C@@H]21 ZINC000457645544 822900761 /nfs/dbraw/zinc/90/07/61/822900761.db2.gz FWKVBNWTCYQZBG-QRWLVFNGSA-N 1 1 385.895 4.084 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccnc1C(F)(F)F ZINC000569287110 822901727 /nfs/dbraw/zinc/90/17/27/822901727.db2.gz PQDNGENDZWOXCO-OAHLLOKOSA-N 1 1 392.425 4.229 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000186478179 822901863 /nfs/dbraw/zinc/90/18/63/822901863.db2.gz ILPIEOLTDSBHBC-ZRCGQRJVSA-N 1 1 380.536 4.259 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1[nH]ccc1C1CC1 ZINC000457657556 822902217 /nfs/dbraw/zinc/90/22/17/822902217.db2.gz FKLSUENPJXTSMF-IBGZPJMESA-N 1 1 389.503 4.096 20 0 GIADMO COc1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)c(-c2ccccc2)cc1OC ZINC000569290959 822902410 /nfs/dbraw/zinc/90/24/10/822902410.db2.gz NYDIBGNLBDQMPH-LJQANCHMSA-N 1 1 379.460 4.399 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)c(-c2ccccc2)cc1OC ZINC000569290959 822902412 /nfs/dbraw/zinc/90/24/12/822902412.db2.gz NYDIBGNLBDQMPH-LJQANCHMSA-N 1 1 379.460 4.399 20 0 GIADMO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(CCc3ccc(Cl)c(Cl)c3)n1)OC2 ZINC000569290461 822902431 /nfs/dbraw/zinc/90/24/31/822902431.db2.gz VHOFKOOGJDGQIP-QAPCUYQASA-N 1 1 382.291 4.087 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(CCc3ccc(Cl)c(Cl)c3)n1)OC2 ZINC000569290461 822902435 /nfs/dbraw/zinc/90/24/35/822902435.db2.gz VHOFKOOGJDGQIP-QAPCUYQASA-N 1 1 382.291 4.087 20 0 GIADMO CC[C@H](CC(F)F)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457661598 822902814 /nfs/dbraw/zinc/90/28/14/822902814.db2.gz IHQSKPOBCDAHNU-QZTJIDSGSA-N 1 1 390.478 4.258 20 0 GIADMO Cc1cc(NC(=O)c2[nH]ccc2C2CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000457664469 822903449 /nfs/dbraw/zinc/90/34/49/822903449.db2.gz IHNYGXJBZIZPLR-LJQANCHMSA-N 1 1 389.503 4.096 20 0 GIADMO CCOc1cc(C[N@H+]2CCSC3(CCOCC3)C2)ccc1OCC(C)C ZINC000186490288 822903957 /nfs/dbraw/zinc/90/39/57/822903957.db2.gz FAASSKRXCHUIGB-UHFFFAOYSA-N 1 1 379.566 4.218 20 0 GIADMO c1nc2ccccc2n1-c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186492514 822904444 /nfs/dbraw/zinc/90/44/44/822904444.db2.gz JFVSPJYRWRBLCG-UHFFFAOYSA-N 1 1 379.529 4.124 20 0 GIADMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000054675597 822904702 /nfs/dbraw/zinc/90/47/02/822904702.db2.gz MEYBABXKBIHOTF-HNNXBMFYSA-N 1 1 385.920 4.401 20 0 GIADMO Cc1cc(NC(=O)[C@@H](C)CC(F)(F)F)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000457675030 822904914 /nfs/dbraw/zinc/90/49/14/822904914.db2.gz MPIJWTHFVGZGGT-WMLDXEAASA-N 1 1 394.441 4.166 20 0 GIADMO CCCNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000186496621 822904943 /nfs/dbraw/zinc/90/49/43/822904943.db2.gz CRLAXSMLYDAURP-UHFFFAOYSA-N 1 1 377.941 4.202 20 0 GIADMO Brc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)c2ncccc12 ZINC000186496838 822905059 /nfs/dbraw/zinc/90/50/59/822905059.db2.gz OBOPZXGXKRBKNE-UHFFFAOYSA-N 1 1 393.350 4.095 20 0 GIADMO C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1 ZINC000569311241 822905630 /nfs/dbraw/zinc/90/56/30/822905630.db2.gz SOLKHXRIMHVZST-ZWKOTPCHSA-N 1 1 399.560 4.070 20 0 GIADMO C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1 ZINC000569311241 822905633 /nfs/dbraw/zinc/90/56/33/822905633.db2.gz SOLKHXRIMHVZST-ZWKOTPCHSA-N 1 1 399.560 4.070 20 0 GIADMO C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1nc2c(s1)CCC2 ZINC000569313943 822906221 /nfs/dbraw/zinc/90/62/21/822906221.db2.gz XEKLIAAUPACMKW-HOCLYGCPSA-N 1 1 398.576 4.316 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000175216448 822906725 /nfs/dbraw/zinc/90/67/25/822906725.db2.gz QOXRSNJDLPPAQR-OAQYLSRUSA-N 1 1 397.567 4.393 20 0 GIADMO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000457688317 822906815 /nfs/dbraw/zinc/90/68/15/822906815.db2.gz VBGKPTSTNGIKKF-DYESRHJHSA-N 1 1 398.547 4.039 20 0 GIADMO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000186514431 822907293 /nfs/dbraw/zinc/90/72/93/822907293.db2.gz ZQZHIZJDURIMBE-AYBZRNKSSA-N 1 1 377.456 4.141 20 0 GIADMO CO[C@@H](C)c1nc(C[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cs1 ZINC000175218884 822907453 /nfs/dbraw/zinc/90/74/53/822907453.db2.gz ZODCMQLQQQXNCO-AWEZNQCLSA-N 1 1 388.512 4.444 20 0 GIADMO CO[C@@H](C)c1nc(C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cs1 ZINC000175218884 822907458 /nfs/dbraw/zinc/90/74/58/822907458.db2.gz ZODCMQLQQQXNCO-AWEZNQCLSA-N 1 1 388.512 4.444 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000054728512 822908077 /nfs/dbraw/zinc/90/80/77/822908077.db2.gz OQQHLYBUGQVOAY-CQSZACIVSA-N 1 1 393.503 4.360 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)c2cc(Br)co2)CC1)CC(C)C ZINC000457698414 822908283 /nfs/dbraw/zinc/90/82/83/822908283.db2.gz FYJIAXLQVOGEJB-UHFFFAOYSA-N 1 1 385.346 4.262 20 0 GIADMO O=C(Nc1cccc(OCc2cccnc2)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000175234049 822910518 /nfs/dbraw/zinc/91/05/18/822910518.db2.gz ZLRUGSKQTCNIRH-NRFANRHFSA-N 1 1 394.519 4.047 20 0 GIADMO COc1ccc([C@@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c2ccco2)cc1 ZINC000457734762 822912535 /nfs/dbraw/zinc/91/25/35/822912535.db2.gz KRYGYMBURCFXPL-XMSQKQJNSA-N 1 1 399.535 4.189 20 0 GIADMO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCC[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000457739937 822912921 /nfs/dbraw/zinc/91/29/21/822912921.db2.gz OQQNMEFOYRJSJC-HMXCVIKNSA-N 1 1 387.568 4.237 20 0 GIADMO Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)cc1 ZINC000186566220 822914295 /nfs/dbraw/zinc/91/42/95/822914295.db2.gz YNHIMQXDHFARSQ-YADHBBJMSA-N 1 1 395.591 4.251 20 0 GIADMO CC[NH+](CC)[C@H](CNCc1cncc(Br)c1)c1cccc(OC)c1 ZINC000186581675 822916971 /nfs/dbraw/zinc/91/69/71/822916971.db2.gz NPFICWPOHHFLGQ-LJQANCHMSA-N 1 1 392.341 4.025 20 0 GIADMO Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)cs1 ZINC000457772730 822917514 /nfs/dbraw/zinc/91/75/14/822917514.db2.gz JXUKNZKAHFXQKG-OPAMFIHVSA-N 1 1 398.576 4.307 20 0 GIADMO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H](C)CCN3CCN(C)CC3)cc2)c1 ZINC000186585787 822917832 /nfs/dbraw/zinc/91/78/32/822917832.db2.gz YUCHEEFZKMLAGZ-FGZHOGPDSA-N 1 1 395.591 4.251 20 0 GIADMO Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CC[N@H+](C4CC4)C[C@H](C)C3)cc2)cs1 ZINC000457775648 822918026 /nfs/dbraw/zinc/91/80/26/822918026.db2.gz NYECYFMQWDADFP-JKSUJKDBSA-N 1 1 398.576 4.305 20 0 GIADMO Cc1cc(CNC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc(N2CCCC2)[nH+]1 ZINC000569417220 822919937 /nfs/dbraw/zinc/91/99/37/822919937.db2.gz AXQRTNLIZKTYBQ-IAGOWNOFSA-N 1 1 398.473 4.158 20 0 GIADMO CCOc1c(F)cccc1C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175268866 822920057 /nfs/dbraw/zinc/92/00/57/822920057.db2.gz KDIJJYDDEUYVSL-LJQANCHMSA-N 1 1 384.495 4.209 20 0 GIADMO CC[C@H](CC(F)F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000457802467 822920649 /nfs/dbraw/zinc/92/06/49/822920649.db2.gz XHMMZCOCNIVIJY-HLAWJBBLSA-N 1 1 386.486 4.452 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2nc(C)ccc2o1 ZINC000175271788 822920855 /nfs/dbraw/zinc/92/08/55/822920855.db2.gz CFWRZUIPKONTBH-IBGZPJMESA-N 1 1 377.488 4.120 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc(Cl)cc1 ZINC000186600242 822921457 /nfs/dbraw/zinc/92/14/57/822921457.db2.gz CTERVHYRCUTWOE-PONJGIIJSA-N 1 1 384.907 4.037 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1ccc(Cl)cc1 ZINC000186600242 822921460 /nfs/dbraw/zinc/92/14/60/822921460.db2.gz CTERVHYRCUTWOE-PONJGIIJSA-N 1 1 384.907 4.037 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000175274604 822921700 /nfs/dbraw/zinc/92/17/00/822921700.db2.gz CCFYJTPARLBDDK-MRXNPFEDSA-N 1 1 394.346 4.316 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1ccc(OC)c(F)c1 ZINC000175274779 822921743 /nfs/dbraw/zinc/92/17/43/822921743.db2.gz GDDWBMFEVBHCQX-OAQYLSRUSA-N 1 1 398.522 4.138 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)CC2)[nH+]c1 ZINC000175281426 822923247 /nfs/dbraw/zinc/92/32/47/822923247.db2.gz GRYBLDZWGBVUTR-UHFFFAOYSA-N 1 1 398.938 4.386 20 0 GIADMO CC[C@H](C)n1c2ccc(NC(=O)Cn3cc[nH+]c3C)cc2nc1C(F)(F)F ZINC000457829089 822923634 /nfs/dbraw/zinc/92/36/34/822923634.db2.gz DSONTGMPARTGBI-NSHDSACASA-N 1 1 379.386 4.170 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1sc(=S)[nH]c1C ZINC000175284068 822924150 /nfs/dbraw/zinc/92/41/50/822924150.db2.gz GRWTTXNJQXUXAY-KRWDZBQOSA-N 1 1 389.590 4.027 20 0 GIADMO O=C(CC[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1cc(Cl)ccc1Cl ZINC000186617320 822924170 /nfs/dbraw/zinc/92/41/70/822924170.db2.gz HEAYVRCXMHYMMA-HXUWFJFHSA-N 1 1 391.298 4.453 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1OC(F)F ZINC000175284930 822924347 /nfs/dbraw/zinc/92/43/47/822924347.db2.gz WBEHUGOSYPIXSW-INIZCTEOSA-N 1 1 394.487 4.334 20 0 GIADMO O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000569449127 822924863 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OC1(Cc2cccc(F)c2)CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000186940438 822984069 /nfs/dbraw/zinc/98/40/69/822984069.db2.gz SZUDXJNTRNBYHC-UHFFFAOYSA-N 1 1 384.426 4.189 20 0 GIADMO CC(C)Sc1ccc([C@H](C)NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000458331154 822984093 /nfs/dbraw/zinc/98/40/93/822984093.db2.gz ZMMGYLKTBTZFFR-UWJYYQICSA-N 1 1 375.582 4.375 20 0 GIADMO C[C@H]1C[C@H](Nc2ccc(F)c(N3CCCNC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000569916508 822985539 /nfs/dbraw/zinc/98/55/39/822985539.db2.gz MDVNNQXBYHPJIY-FXAWDEMLSA-N 1 1 396.510 4.210 20 0 GIADMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CCN1Cc1ccccc1 ZINC000186961737 822987889 /nfs/dbraw/zinc/98/78/89/822987889.db2.gz ZYFMEYLYFTUYDT-CVDCTZTESA-N 1 1 391.559 4.081 20 0 GIADMO C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000186961737 822987890 /nfs/dbraw/zinc/98/78/90/822987890.db2.gz ZYFMEYLYFTUYDT-CVDCTZTESA-N 1 1 391.559 4.081 20 0 GIADMO C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000186961737 822987892 /nfs/dbraw/zinc/98/78/92/822987892.db2.gz ZYFMEYLYFTUYDT-CVDCTZTESA-N 1 1 391.559 4.081 20 0 GIADMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)C[C@H](C)O1 ZINC000186969250 822989377 /nfs/dbraw/zinc/98/93/77/822989377.db2.gz MSMVINBRMUWFJA-IYBDPMFKSA-N 1 1 395.494 4.151 20 0 GIADMO CCN(C(C)=O)c1nc(C[NH2+]C[C@@H](C)Oc2ccc(C(C)C)cc2)cs1 ZINC000569960744 822990256 /nfs/dbraw/zinc/99/02/56/822990256.db2.gz RHGHRZVBAANTPW-OAHLLOKOSA-N 1 1 375.538 4.196 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000175525813 822990791 /nfs/dbraw/zinc/99/07/91/822990791.db2.gz UXPKNMMNGLOZHN-RDJZCZTQSA-N 1 1 380.602 4.371 20 0 GIADMO Cc1ccccc1-n1cc(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nn1 ZINC000570003123 822995291 /nfs/dbraw/zinc/99/52/91/822995291.db2.gz MUROJDLNEPJVFF-LJQANCHMSA-N 1 1 389.547 4.097 20 0 GIADMO CSc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000570010944 822996557 /nfs/dbraw/zinc/99/65/57/822996557.db2.gz MIGUVLWTFXDVED-KSFYIVLOSA-N 1 1 382.529 4.205 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000570025469 822998629 /nfs/dbraw/zinc/99/86/29/822998629.db2.gz INBINEPOEDTACR-IBGZPJMESA-N 1 1 393.531 4.446 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NCc2ncc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000187026155 822999980 /nfs/dbraw/zinc/99/99/80/822999980.db2.gz VWFNZMOSNCEBMG-APWZRJJASA-N 1 1 391.943 4.222 20 0 GIADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000187029664 823000576 /nfs/dbraw/zinc/00/05/76/823000576.db2.gz PATZICWTVQSECK-AWEZNQCLSA-N 1 1 396.409 4.259 20 0 GIADMO COc1cc(F)c(F)cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000570090717 823004870 /nfs/dbraw/zinc/00/48/70/823004870.db2.gz WYGARHMSAPQOSU-RDTXWAMCSA-N 1 1 389.446 4.006 20 0 GIADMO CN(C(=O)c1nc2ccccc2cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570092629 823005079 /nfs/dbraw/zinc/00/50/79/823005079.db2.gz VUJYNYILYSEBBJ-SFHVURJKSA-N 1 1 379.891 4.235 20 0 GIADMO FC(F)O[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000570109997 823006369 /nfs/dbraw/zinc/00/63/69/823006369.db2.gz OITSPBMUPYTTHF-LBPRGKRZSA-N 1 1 389.265 4.386 20 0 GIADMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000570130566 823008637 /nfs/dbraw/zinc/00/86/37/823008637.db2.gz SESAQGOBKZMCET-UWJYYQICSA-N 1 1 391.515 4.027 20 0 GIADMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCc1c(C)nc2ccccn2c1=O ZINC000570130562 823008640 /nfs/dbraw/zinc/00/86/40/823008640.db2.gz SESAQGOBKZMCET-LAUBAEHRSA-N 1 1 391.515 4.027 20 0 GIADMO COc1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1C ZINC000175631066 823009887 /nfs/dbraw/zinc/00/98/87/823009887.db2.gz BGZYPGRGGHYOSQ-DENIHFKCSA-N 1 1 395.547 4.198 20 0 GIADMO Fc1ccc([C@H]([NH2+]Cc2cnnn2Cc2ccccc2)c2cccs2)cc1 ZINC000570143195 823010112 /nfs/dbraw/zinc/01/01/12/823010112.db2.gz TYOSCOBJSSOUBT-NRFANRHFSA-N 1 1 378.476 4.406 20 0 GIADMO Cc1nc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)ccc2o1 ZINC000175635101 823010401 /nfs/dbraw/zinc/01/04/01/823010401.db2.gz GWOTVZLYDZPIEE-BEFAXECRSA-N 1 1 378.476 4.311 20 0 GIADMO COc1cc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccc1F ZINC000187099472 823010476 /nfs/dbraw/zinc/01/04/76/823010476.db2.gz UWNXFHGJYTVASP-INIZCTEOSA-N 1 1 377.504 4.343 20 0 GIADMO CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175637705 823010828 /nfs/dbraw/zinc/01/08/28/823010828.db2.gz DNVZXFXJDQTESE-DENIHFKCSA-N 1 1 395.547 4.280 20 0 GIADMO CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCCCn1cc[nH+]c1C ZINC000175637679 823010843 /nfs/dbraw/zinc/01/08/43/823010843.db2.gz KIWLFLXUWPTSJZ-UHFFFAOYSA-N 1 1 384.402 4.211 20 0 GIADMO C[C@H](CCNC(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccccc1 ZINC000175637791 823010867 /nfs/dbraw/zinc/01/08/67/823010867.db2.gz HSYDGWVBDADPAO-QGZVFWFLSA-N 1 1 396.560 4.348 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cnccc2C(F)(F)F)cc1 ZINC000570174421 823012473 /nfs/dbraw/zinc/01/24/73/823012473.db2.gz ZMSDUVIECNCCOV-HNNXBMFYSA-N 1 1 391.437 4.405 20 0 GIADMO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125695 823014210 /nfs/dbraw/zinc/01/42/10/823014210.db2.gz LUASUQWNUXATIX-IBGZPJMESA-N 1 1 391.559 4.117 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125695 823014214 /nfs/dbraw/zinc/01/42/14/823014214.db2.gz LUASUQWNUXATIX-IBGZPJMESA-N 1 1 391.559 4.117 20 0 GIADMO Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c2c1NCCC2 ZINC000570232667 823017187 /nfs/dbraw/zinc/01/71/87/823017187.db2.gz LIFJGQZRULNWOB-UHFFFAOYSA-N 1 1 383.402 4.124 20 0 GIADMO OC[C@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1C(F)(F)F ZINC000570247660 823018856 /nfs/dbraw/zinc/01/88/56/823018856.db2.gz HWQHEOXKWFGXLU-SJLPKXTDSA-N 1 1 389.421 4.018 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N[C@@H](CO)c1ccc(F)cc1)C1CCCCC1 ZINC000570309466 823024415 /nfs/dbraw/zinc/02/44/15/823024415.db2.gz CSYLNMLFJYLBFE-QFIPXVFZSA-N 1 1 399.510 4.445 20 0 GIADMO CC1CC[NH+](Cc2cccc(CNCc3ccc4c(c3)CCC(=O)N4C)c2)CC1 ZINC000187208708 823025066 /nfs/dbraw/zinc/02/50/66/823025066.db2.gz QOJNDXRDYGFONS-UHFFFAOYSA-N 1 1 391.559 4.117 20 0 GIADMO C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C[C@@H]1n1ccnc1 ZINC000570318287 823025414 /nfs/dbraw/zinc/02/54/14/823025414.db2.gz FZYBPEWNMNEVOF-BEFAXECRSA-N 1 1 389.425 4.171 20 0 GIADMO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1csc(-c2ccccc2)n1 ZINC000570379478 823031491 /nfs/dbraw/zinc/03/14/91/823031491.db2.gz QAACGHBAJUTYJU-LPHOPBHVSA-N 1 1 392.528 4.047 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1csc(-c2ccccc2)n1 ZINC000570379477 823031558 /nfs/dbraw/zinc/03/15/58/823031558.db2.gz QAACGHBAJUTYJU-APWZRJJASA-N 1 1 392.528 4.047 20 0 GIADMO CN(CCc1cccs1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175767428 823035057 /nfs/dbraw/zinc/03/50/57/823035057.db2.gz AXWMKWYDRFMWOD-UHFFFAOYSA-N 1 1 375.563 4.003 20 0 GIADMO COCCOc1cc(C)ccc1C[NH2+]Cc1cccc(Br)c1OC ZINC000187290864 823037479 /nfs/dbraw/zinc/03/74/79/823037479.db2.gz WFRJZXPFSHCCQB-UHFFFAOYSA-N 1 1 394.309 4.081 20 0 GIADMO C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1nnc(-c2ccccc2F)s1 ZINC000570437915 823038358 /nfs/dbraw/zinc/03/83/58/823038358.db2.gz HYEOQRJPNLPWIU-KYNGSXCRSA-N 1 1 382.508 4.440 20 0 GIADMO CCOC[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000458429024 823039171 /nfs/dbraw/zinc/03/91/71/823039171.db2.gz MZMSPIYMJNVHAA-OAQYLSRUSA-N 1 1 399.535 4.012 20 0 GIADMO CCOC[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000458429024 823039172 /nfs/dbraw/zinc/03/91/72/823039172.db2.gz MZMSPIYMJNVHAA-OAQYLSRUSA-N 1 1 399.535 4.012 20 0 GIADMO Cc1nsc(C)c1C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000570461758 823041075 /nfs/dbraw/zinc/04/10/75/823041075.db2.gz UFKYCSUMZFHLAL-UHFFFAOYSA-N 1 1 378.929 4.153 20 0 GIADMO Cc1nsc(C)c1C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000570461758 823041078 /nfs/dbraw/zinc/04/10/78/823041078.db2.gz UFKYCSUMZFHLAL-UHFFFAOYSA-N 1 1 378.929 4.153 20 0 GIADMO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cccc1C(=O)Nc1ccccc1 ZINC000175793667 823041737 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GIADMO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123829925 823543831 /nfs/dbraw/zinc/54/38/31/823543831.db2.gz RZLDBSYJOYPNAC-XIKOKIGWSA-N 1 1 382.813 4.180 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123829925 823543832 /nfs/dbraw/zinc/54/38/32/823543832.db2.gz RZLDBSYJOYPNAC-XIKOKIGWSA-N 1 1 382.813 4.180 20 0 GIADMO CC[C@H](C)Sc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(C)c1 ZINC000190159072 823544356 /nfs/dbraw/zinc/54/43/56/823544356.db2.gz PAFDXUIYBJTCCM-SJORKVTESA-N 1 1 393.597 4.195 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000123837932 823544402 /nfs/dbraw/zinc/54/44/02/823544402.db2.gz FYBORULROIMRGP-UHFFFAOYSA-N 1 1 392.434 4.349 20 0 GIADMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000177907276 823544666 /nfs/dbraw/zinc/54/46/66/823544666.db2.gz QPJIGVDYAYIOER-ZACQAIPSSA-N 1 1 395.503 4.005 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)CCc1ccccn1 ZINC000123846457 823545134 /nfs/dbraw/zinc/54/51/34/823545134.db2.gz KJDLLLBFTVKLKM-GFCCVEGCSA-N 1 1 385.817 4.255 20 0 GIADMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)CCc1ccccn1 ZINC000123846457 823545137 /nfs/dbraw/zinc/54/51/37/823545137.db2.gz KJDLLLBFTVKLKM-GFCCVEGCSA-N 1 1 385.817 4.255 20 0 GIADMO COc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1F ZINC000123854206 823546064 /nfs/dbraw/zinc/54/60/64/823546064.db2.gz QJINZXLGAWGLEE-DJJJIMSYSA-N 1 1 394.849 4.050 20 0 GIADMO COc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1F ZINC000123854206 823546067 /nfs/dbraw/zinc/54/60/67/823546067.db2.gz QJINZXLGAWGLEE-DJJJIMSYSA-N 1 1 394.849 4.050 20 0 GIADMO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000123864622 823547323 /nfs/dbraw/zinc/54/73/23/823547323.db2.gz ZECDNBGCJMYADL-LIRRHRJNSA-N 1 1 394.849 4.050 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460950444 823549159 /nfs/dbraw/zinc/54/91/59/823549159.db2.gz PYYLLCLEXOLIBO-XHSDSOJGSA-N 1 1 387.911 4.472 20 0 GIADMO CCOCCC1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000123919959 823551696 /nfs/dbraw/zinc/55/16/96/823551696.db2.gz VXMVZCFFINFKPS-QFBILLFUSA-N 1 1 396.934 4.185 20 0 GIADMO CCSc1cc(Cl)ccc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000460971634 823553295 /nfs/dbraw/zinc/55/32/95/823553295.db2.gz PVDIWCPIYZIHBE-UHFFFAOYSA-N 1 1 380.966 4.302 20 0 GIADMO CCSc1cc(Cl)ccc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000460971634 823553297 /nfs/dbraw/zinc/55/32/97/823553297.db2.gz PVDIWCPIYZIHBE-UHFFFAOYSA-N 1 1 380.966 4.302 20 0 GIADMO CSc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000123947543 823554171 /nfs/dbraw/zinc/55/41/71/823554171.db2.gz WFGKOVVVFHUTFA-SJCJKPOMSA-N 1 1 382.888 4.217 20 0 GIADMO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000123947543 823554174 /nfs/dbraw/zinc/55/41/74/823554174.db2.gz WFGKOVVVFHUTFA-SJCJKPOMSA-N 1 1 382.888 4.217 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123956357 823555148 /nfs/dbraw/zinc/55/51/48/823555148.db2.gz CRZDNOUQHIDYIZ-LPHOPBHVSA-N 1 1 386.923 4.474 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c1 ZINC000460981278 823555316 /nfs/dbraw/zinc/55/53/16/823555316.db2.gz OKANESGCJIAICJ-FQEVSTJZSA-N 1 1 393.531 4.272 20 0 GIADMO CC[C@H](C(=O)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)[NH+](CC)CC ZINC000460982054 823555426 /nfs/dbraw/zinc/55/54/26/823555426.db2.gz SDERVMHHURZJTF-LJQANCHMSA-N 1 1 377.492 4.198 20 0 GIADMO CCC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000411193698 823556037 /nfs/dbraw/zinc/55/60/37/823556037.db2.gz SUCZIXSGXBVQGL-MRXNPFEDSA-N 1 1 389.540 4.273 20 0 GIADMO CCCC[N@@H+](C)CCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460990343 823556309 /nfs/dbraw/zinc/55/63/09/823556309.db2.gz GANQQENVYPVKCU-UHFFFAOYSA-N 1 1 397.306 4.037 20 0 GIADMO CCCC[N@@H+](C)CCNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460990370 823556465 /nfs/dbraw/zinc/55/64/65/823556465.db2.gz GLGBNLBXYNCFPR-UHFFFAOYSA-N 1 1 381.948 4.176 20 0 GIADMO CCCc1ncc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)s1 ZINC000460990446 823556484 /nfs/dbraw/zinc/55/64/84/823556484.db2.gz ZGRBLMQHYJMZRY-KRWDZBQOSA-N 1 1 387.549 4.061 20 0 GIADMO COc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000123974563 823557078 /nfs/dbraw/zinc/55/70/78/823557078.db2.gz XRAXJJMNHIOQIZ-CTNGQTDRSA-N 1 1 382.504 4.002 20 0 GIADMO O=C(c1ccccc1Sc1ccccc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000461000466 823557370 /nfs/dbraw/zinc/55/73/70/823557370.db2.gz LHAWTLWEZRTHHL-LJQANCHMSA-N 1 1 396.556 4.022 20 0 GIADMO Cc1ccc(OCc2nc(C[NH2+]C[C@H](O)c3c(F)cccc3F)cs2)cc1 ZINC000123983038 823557686 /nfs/dbraw/zinc/55/76/86/823557686.db2.gz YJLYBOZNFDDUIR-SFHVURJKSA-N 1 1 390.455 4.132 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190275067 823558531 /nfs/dbraw/zinc/55/85/31/823558531.db2.gz SVRLVNUTBCHVGX-HSZRJFAPSA-N 1 1 392.543 4.183 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000411227984 823558837 /nfs/dbraw/zinc/55/88/37/823558837.db2.gz NSRHHICMNVDKKP-LEWJYISDSA-N 1 1 398.934 4.187 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000411227984 823558838 /nfs/dbraw/zinc/55/88/38/823558838.db2.gz NSRHHICMNVDKKP-LEWJYISDSA-N 1 1 398.934 4.187 20 0 GIADMO C[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1(F)F ZINC000461012214 823558917 /nfs/dbraw/zinc/55/89/17/823558917.db2.gz KQNNSAQYKZFHKJ-WBMJQRKESA-N 1 1 390.396 4.029 20 0 GIADMO C(C1CCC2(CC1)OCCO2)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000190285437 823559222 /nfs/dbraw/zinc/55/92/22/823559222.db2.gz UGKFHPJIAFZQHT-QGZVFWFLSA-N 1 1 376.566 4.135 20 0 GIADMO CC[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000411256179 823560485 /nfs/dbraw/zinc/56/04/85/823560485.db2.gz QKMTYXXHQXASIZ-CQSZACIVSA-N 1 1 385.895 4.451 20 0 GIADMO COc1ccc(Br)cc1CNC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000060832448 823560981 /nfs/dbraw/zinc/56/09/81/823560981.db2.gz DEJIIISNNHYBEP-MRXNPFEDSA-N 1 1 395.366 4.446 20 0 GIADMO COc1ccc(C(=O)C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)cc1 ZINC000124025193 823561001 /nfs/dbraw/zinc/56/10/01/823561001.db2.gz ISYROKDQKBOWAT-UHFFFAOYSA-N 1 1 393.512 4.309 20 0 GIADMO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1OC(F)F ZINC000124037007 823561712 /nfs/dbraw/zinc/56/17/12/823561712.db2.gz DGINFWKOQAHKDA-UHFFFAOYSA-N 1 1 391.414 4.097 20 0 GIADMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cn2nc(-c3cccnc3)n(C)c2=S)c1 ZINC000124051710 823563339 /nfs/dbraw/zinc/56/33/39/823563339.db2.gz GMIMEKOEYVCPQU-IBGZPJMESA-N 1 1 379.533 4.425 20 0 GIADMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cn2nc(-c3cccnc3)n(C)c2=S)c1 ZINC000124051710 823563340 /nfs/dbraw/zinc/56/33/40/823563340.db2.gz GMIMEKOEYVCPQU-IBGZPJMESA-N 1 1 379.533 4.425 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000411304184 823563515 /nfs/dbraw/zinc/56/35/15/823563515.db2.gz BNXDRXYLRRUWAO-IERDGZPVSA-N 1 1 395.547 4.002 20 0 GIADMO C[N@H+](Cc1ccc(-c2ncco2)cc1F)C1CCN(CCc2ccccn2)CC1 ZINC000411307421 823563792 /nfs/dbraw/zinc/56/37/92/823563792.db2.gz HOMWQJSKZWSAJO-UHFFFAOYSA-N 1 1 394.494 4.015 20 0 GIADMO C[N@@H+](Cc1ccc(-c2ncco2)cc1F)C1CCN(CCc2ccccn2)CC1 ZINC000411307421 823563793 /nfs/dbraw/zinc/56/37/93/823563793.db2.gz HOMWQJSKZWSAJO-UHFFFAOYSA-N 1 1 394.494 4.015 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 ZINC000461054922 823566706 /nfs/dbraw/zinc/56/67/06/823566706.db2.gz DWRHEDYXEBOJLX-OAHLLOKOSA-N 1 1 383.517 4.455 20 0 GIADMO C[N@@H+](Cc1ccc(-c2ncco2)cc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000411375365 823567321 /nfs/dbraw/zinc/56/73/21/823567321.db2.gz GMMVFNAEMNNHKW-UHFFFAOYSA-N 1 1 393.462 4.217 20 0 GIADMO CC[C@H](C[N@H+](C)[C@@H](C)c1nc(COC)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000190381784 823568074 /nfs/dbraw/zinc/56/80/74/823568074.db2.gz QBYAGJQGMFSUKE-NWDGAFQWSA-N 1 1 388.295 4.373 20 0 GIADMO CC[C@H](C[N@@H+](C)[C@@H](C)c1nc(COC)no1)Oc1ccc(Cl)c(Cl)c1 ZINC000190381784 823568078 /nfs/dbraw/zinc/56/80/78/823568078.db2.gz QBYAGJQGMFSUKE-NWDGAFQWSA-N 1 1 388.295 4.373 20 0 GIADMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124109080 823568210 /nfs/dbraw/zinc/56/82/10/823568210.db2.gz MJZYEUFCSDASHU-LJQANCHMSA-N 1 1 390.535 4.083 20 0 GIADMO CC[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2)CC[N@@H+]1CCOC ZINC000461062787 823568259 /nfs/dbraw/zinc/56/82/59/823568259.db2.gz WAFJATHUDLQITR-GOSISDBHSA-N 1 1 384.545 4.021 20 0 GIADMO CC[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2)CC[N@H+]1CCOC ZINC000461062787 823568262 /nfs/dbraw/zinc/56/82/62/823568262.db2.gz WAFJATHUDLQITR-GOSISDBHSA-N 1 1 384.545 4.021 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)C3(Cc4ccccc4Cl)CC3)sc2C1 ZINC000190392728 823568806 /nfs/dbraw/zinc/56/88/06/823568806.db2.gz CDUBTPYPYHSDBJ-UHFFFAOYSA-N 1 1 375.925 4.136 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)C3(Cc4ccccc4Cl)CC3)sc2C1 ZINC000190392728 823568809 /nfs/dbraw/zinc/56/88/09/823568809.db2.gz CDUBTPYPYHSDBJ-UHFFFAOYSA-N 1 1 375.925 4.136 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000461068378 823569525 /nfs/dbraw/zinc/56/95/25/823569525.db2.gz NWHMRZNNHWEBRD-HXUWFJFHSA-N 1 1 377.463 4.215 20 0 GIADMO O=C1CC[C@H]2C[N@H+](Cc3cccc(Br)c3Cl)CC[C@H]2N1C1CC1 ZINC000411397377 823570072 /nfs/dbraw/zinc/57/00/72/823570072.db2.gz LWTVUZJZPFZYLY-BLLLJJGKSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@H]2C[N@@H+](Cc3cccc(Br)c3Cl)CC[C@H]2N1C1CC1 ZINC000411397377 823570073 /nfs/dbraw/zinc/57/00/73/823570073.db2.gz LWTVUZJZPFZYLY-BLLLJJGKSA-N 1 1 397.744 4.078 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](Cc1cccnc1)C(C)C ZINC000411407935 823570977 /nfs/dbraw/zinc/57/09/77/823570977.db2.gz KWAYGMPPDMEDAH-UHFFFAOYSA-N 1 1 391.519 4.123 20 0 GIADMO C[C@@H](c1ccccn1)[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411421520 823572355 /nfs/dbraw/zinc/57/23/55/823572355.db2.gz MUUBYMRTWHSMRX-JTSKRJEESA-N 1 1 379.529 4.432 20 0 GIADMO C[N@H+](Cc1cc(Br)cs1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000061042578 823574995 /nfs/dbraw/zinc/57/49/95/823574995.db2.gz XTYGIGCVZPOMAG-ZDUSSCGKSA-N 1 1 390.730 4.036 20 0 GIADMO CN(C)C(=O)C[C@@H]([NH2+]Cc1cccc(Br)c1Cl)c1ccccc1 ZINC000411446796 823575223 /nfs/dbraw/zinc/57/52/23/823575223.db2.gz CIPXVSYMZLNWCZ-MRXNPFEDSA-N 1 1 395.728 4.412 20 0 GIADMO CCc1ccc(C[NH+]2CCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)s1 ZINC000461093258 823575335 /nfs/dbraw/zinc/57/53/35/823575335.db2.gz RPPPELJBMXJVTO-UHFFFAOYSA-N 1 1 397.519 4.403 20 0 GIADMO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000411448308 823575581 /nfs/dbraw/zinc/57/55/81/823575581.db2.gz CSSWWUQBOBGKIK-IBGZPJMESA-N 1 1 395.547 4.119 20 0 GIADMO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000411448309 823575621 /nfs/dbraw/zinc/57/56/21/823575621.db2.gz CSSWWUQBOBGKIK-LJQANCHMSA-N 1 1 395.547 4.119 20 0 GIADMO CCC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000411451547 823576040 /nfs/dbraw/zinc/57/60/40/823576040.db2.gz HVIILKDACGICGY-SFHVURJKSA-N 1 1 386.367 4.025 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411456042 823576662 /nfs/dbraw/zinc/57/66/62/823576662.db2.gz MGDAGULLMVSAKI-KSZLIROESA-N 1 1 379.504 4.447 20 0 GIADMO CC[NH+](CC)CCOc1ccccc1CNCc1ccc(Br)cc1 ZINC000061069898 823576735 /nfs/dbraw/zinc/57/67/35/823576735.db2.gz UCOAJFACXBXBGL-UHFFFAOYSA-N 1 1 391.353 4.460 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@@H](C)c2ccc(Br)s2)c1 ZINC000124211051 823577821 /nfs/dbraw/zinc/57/78/21/823577821.db2.gz ALPYYLIORKFWQB-NSHDSACASA-N 1 1 391.294 4.142 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)[C@H](C)c2ccc(Br)s2)c1 ZINC000124211265 823577835 /nfs/dbraw/zinc/57/78/35/823577835.db2.gz ALPYYLIORKFWQB-LLVKDONJSA-N 1 1 391.294 4.142 20 0 GIADMO O=C(Nc1ncc(-c2ccccc2)s1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000461117444 823580488 /nfs/dbraw/zinc/58/04/88/823580488.db2.gz UZHWFAQKDRLCPD-GOSISDBHSA-N 1 1 394.500 4.021 20 0 GIADMO C[N@H+](Cc1cccnc1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190512169 823582604 /nfs/dbraw/zinc/58/26/04/823582604.db2.gz QGFSRPWEQJSARI-KRWDZBQOSA-N 1 1 391.309 4.034 20 0 GIADMO C[N@@H+](Cc1cccnc1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190512169 823582607 /nfs/dbraw/zinc/58/26/07/823582607.db2.gz QGFSRPWEQJSARI-KRWDZBQOSA-N 1 1 391.309 4.034 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000124272943 823582987 /nfs/dbraw/zinc/58/29/87/823582987.db2.gz PMVKFKVAPXNNBP-UHFFFAOYSA-N 1 1 379.489 4.134 20 0 GIADMO O[C@@H](C[NH+]1CCC(Oc2ccc(F)nc2)CC1)c1ccc(Cl)cc1Cl ZINC000190526285 823583520 /nfs/dbraw/zinc/58/35/20/823583520.db2.gz CANCWBXIOCCAKC-KRWDZBQOSA-N 1 1 385.266 4.104 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1 ZINC000124294526 823584806 /nfs/dbraw/zinc/58/48/06/823584806.db2.gz HTEKDPOEZDPVDN-UHFFFAOYSA-N 1 1 389.484 4.189 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1nnnn1C1CC1 ZINC000190555296 823585875 /nfs/dbraw/zinc/58/58/75/823585875.db2.gz VUBUGGHAKWXFDS-HUUCEWRRSA-N 1 1 381.455 4.138 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC000190563791 823586755 /nfs/dbraw/zinc/58/67/55/823586755.db2.gz GIXPIPJDQATAKT-DOTOQJQBSA-N 1 1 397.544 4.282 20 0 GIADMO CCOc1ccc(NC(=O)CC[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000411544577 823586893 /nfs/dbraw/zinc/58/68/93/823586893.db2.gz VAOPZZJMSCAVSI-MRXNPFEDSA-N 1 1 379.460 4.420 20 0 GIADMO CCC[N@@H+](CCc1cccs1)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411548163 823587274 /nfs/dbraw/zinc/58/72/74/823587274.db2.gz FEJMGCMLQPDLIA-OAHLLOKOSA-N 1 1 376.522 4.047 20 0 GIADMO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000061255830 823587698 /nfs/dbraw/zinc/58/76/98/823587698.db2.gz WSWCOHWDVONWHY-GOSISDBHSA-N 1 1 384.520 4.054 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cccc(-n2cccc2)c1 ZINC000061285212 823589277 /nfs/dbraw/zinc/58/92/77/823589277.db2.gz ZYHZOXYJWMSECA-UHFFFAOYSA-N 1 1 377.513 4.278 20 0 GIADMO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000190607403 823590952 /nfs/dbraw/zinc/59/09/52/823590952.db2.gz JMEDBKZCLWZFME-QGZVFWFLSA-N 1 1 393.531 4.115 20 0 GIADMO Cc1c(F)cccc1NC(=O)CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000411629183 823592303 /nfs/dbraw/zinc/59/23/03/823592303.db2.gz BJRAYUMNTVLPJB-UHFFFAOYSA-N 1 1 388.458 4.283 20 0 GIADMO C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)c1cc2ccccc2o1 ZINC000190652631 823595177 /nfs/dbraw/zinc/59/51/77/823595177.db2.gz HIBDALXVJRSIMT-HKUYNNGSSA-N 1 1 392.503 4.052 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCCCC(=O)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000061394772 823595152 /nfs/dbraw/zinc/59/51/52/823595152.db2.gz YWUKUPOPKIHYMP-RTBURBONSA-N 1 1 395.499 4.116 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1C1CC1 ZINC000124418483 823595234 /nfs/dbraw/zinc/59/52/34/823595234.db2.gz CNVZEHDWMDDISG-DLBZAZTESA-N 1 1 396.535 4.377 20 0 GIADMO COc1ccc(CCCC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000061397921 823595261 /nfs/dbraw/zinc/59/52/61/823595261.db2.gz MKCMWQYAALMJHX-UHFFFAOYSA-N 1 1 380.532 4.061 20 0 GIADMO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000411686034 823596742 /nfs/dbraw/zinc/59/67/42/823596742.db2.gz KPPLEBSCUJJCMF-JTQLQIEISA-N 1 1 375.391 4.289 20 0 GIADMO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)c1nc(C(F)(F)F)cs1 ZINC000411687081 823597022 /nfs/dbraw/zinc/59/70/22/823597022.db2.gz MAOCKFBGNIOWQZ-SECBINFHSA-N 1 1 377.819 4.495 20 0 GIADMO OCC[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)c1ccccc1 ZINC000124456004 823598246 /nfs/dbraw/zinc/59/82/46/823598246.db2.gz NUEKNSBSWOBMEG-QGZVFWFLSA-N 1 1 386.293 4.053 20 0 GIADMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000461237708 823602352 /nfs/dbraw/zinc/60/23/52/823602352.db2.gz OWOJUVYINXKLOR-OAHLLOKOSA-N 1 1 380.414 4.094 20 0 GIADMO c1ncc(CCN(Cc2ccncc2)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000411754736 823602566 /nfs/dbraw/zinc/60/25/66/823602566.db2.gz HUWNRQRTXRHWJI-QFIPXVFZSA-N 1 1 392.572 4.247 20 0 GIADMO c1ncc(CC[N@H+](Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000411754736 823602569 /nfs/dbraw/zinc/60/25/69/823602569.db2.gz HUWNRQRTXRHWJI-QFIPXVFZSA-N 1 1 392.572 4.247 20 0 GIADMO c1ncc(CC[N@@H+](Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000411754736 823602571 /nfs/dbraw/zinc/60/25/71/823602571.db2.gz HUWNRQRTXRHWJI-QFIPXVFZSA-N 1 1 392.572 4.247 20 0 GIADMO CC1(C)C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c2ccccc2O1 ZINC000411759582 823603027 /nfs/dbraw/zinc/60/30/27/823603027.db2.gz PYZROLZMXVFPBP-YLJYHZDGSA-N 1 1 398.572 4.421 20 0 GIADMO C[C@H]([NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)c1cccc(-n2cnnn2)c1 ZINC000124529790 823604015 /nfs/dbraw/zinc/60/40/15/823604015.db2.gz QDKWBIGZWCWPOU-YCRPNKLZSA-N 1 1 390.878 4.151 20 0 GIADMO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411775982 823604077 /nfs/dbraw/zinc/60/40/77/823604077.db2.gz UINXFDJFRKTUTA-LEWJYISDSA-N 1 1 395.474 4.210 20 0 GIADMO C[C@@H]1Cc2[nH+]cn(CCC(=O)Nc3ccc(Br)cc3F)c2C[C@@H]1C ZINC000411779051 823604243 /nfs/dbraw/zinc/60/42/43/823604243.db2.gz CJNYUNXSQRINTJ-NEPJUHHUSA-N 1 1 394.288 4.184 20 0 GIADMO CC[C@H](Cc1cccc(Br)c1)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461256064 823605884 /nfs/dbraw/zinc/60/58/84/823605884.db2.gz GFPLDRQLHZKZRY-MJGOQNOKSA-N 1 1 395.385 4.351 20 0 GIADMO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000461255891 823605899 /nfs/dbraw/zinc/60/58/99/823605899.db2.gz FIOFRWFTOLGSTR-FQEVSTJZSA-N 1 1 392.543 4.481 20 0 GIADMO CCCOc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1OCCC ZINC000461257835 823606450 /nfs/dbraw/zinc/60/64/50/823606450.db2.gz OTAJYSQPWXMPTK-IBGZPJMESA-N 1 1 376.541 4.211 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c2cccnc12 ZINC000061624142 823606742 /nfs/dbraw/zinc/60/67/42/823606742.db2.gz LDJRKUPMJGSIBJ-UHFFFAOYSA-N 1 1 376.847 4.312 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc4[nH]ccc43)c2C1 ZINC000190769588 823606797 /nfs/dbraw/zinc/60/67/97/823606797.db2.gz CXVTULFOXOLRNK-OAHLLOKOSA-N 1 1 390.487 4.105 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCSc1ccccc1Br ZINC000461260520 823607067 /nfs/dbraw/zinc/60/70/67/823607067.db2.gz BJFRTCKWGBTXAZ-HNNXBMFYSA-N 1 1 399.398 4.264 20 0 GIADMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000190775926 823607393 /nfs/dbraw/zinc/60/73/93/823607393.db2.gz AJBHDALXXPEXSR-NSHDSACASA-N 1 1 377.847 4.319 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461261912 823607617 /nfs/dbraw/zinc/60/76/17/823607617.db2.gz FRPPWHUZHOBEEY-CQSZACIVSA-N 1 1 393.890 4.389 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461261911 823607621 /nfs/dbraw/zinc/60/76/21/823607621.db2.gz FRPPWHUZHOBEEY-AWEZNQCLSA-N 1 1 393.890 4.389 20 0 GIADMO CCOc1ccc(Nc2ncccc2C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000461261875 823607664 /nfs/dbraw/zinc/60/76/64/823607664.db2.gz FINAVUGSQVGNIU-LJQANCHMSA-N 1 1 396.535 4.170 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)CC[N@H+]1C ZINC000124579520 823608196 /nfs/dbraw/zinc/60/81/96/823608196.db2.gz XUAVKACOVDNVPH-LDBYXDLTSA-N 1 1 388.458 4.026 20 0 GIADMO CCS(=O)(=O)CCCCC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000190782625 823608295 /nfs/dbraw/zinc/60/82/95/823608295.db2.gz WCXGOXJQRLLTOF-UHFFFAOYSA-N 1 1 378.513 4.001 20 0 GIADMO CCS(=O)(=O)CCCCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000190782625 823608296 /nfs/dbraw/zinc/60/82/96/823608296.db2.gz WCXGOXJQRLLTOF-UHFFFAOYSA-N 1 1 378.513 4.001 20 0 GIADMO COC(=O)c1cccc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000124617338 823611427 /nfs/dbraw/zinc/61/14/27/823611427.db2.gz GZVZXCGHRZPQOP-JOCHJYFZSA-N 1 1 388.467 4.251 20 0 GIADMO Cc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1Cc1cccs1 ZINC000461286205 823611868 /nfs/dbraw/zinc/61/18/68/823611868.db2.gz CTUHLWRUQFJWSG-XLIONFOSSA-N 1 1 395.576 4.186 20 0 GIADMO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)C[C@@H](C)O1 ZINC000124626581 823612360 /nfs/dbraw/zinc/61/23/60/823612360.db2.gz ZZTYTLQGQPIHKJ-DNVFCKCGSA-N 1 1 380.532 4.299 20 0 GIADMO COCCN(C)c1ccc(CNc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000190820212 823613031 /nfs/dbraw/zinc/61/30/31/823613031.db2.gz AMDPNDBEKNUQSR-IBGZPJMESA-N 1 1 382.552 4.008 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000411919771 823614556 /nfs/dbraw/zinc/61/45/56/823614556.db2.gz BMSVEEKFGMKHTF-XJKSGUPXSA-N 1 1 390.270 4.351 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000411919771 823614559 /nfs/dbraw/zinc/61/45/59/823614559.db2.gz BMSVEEKFGMKHTF-XJKSGUPXSA-N 1 1 390.270 4.351 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000411923249 823614567 /nfs/dbraw/zinc/61/45/67/823614567.db2.gz KMHRDOVDMBXKGV-APWZRJJASA-N 1 1 383.289 4.305 20 0 GIADMO CC(C)(CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000061790277 823614689 /nfs/dbraw/zinc/61/46/89/823614689.db2.gz YVHYNJULQNZAJN-UHFFFAOYSA-N 1 1 383.561 4.335 20 0 GIADMO Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)cc2c1 ZINC000124676481 823616226 /nfs/dbraw/zinc/61/62/26/823616226.db2.gz WBNGSCSDWOPQKB-NHCUHLMSSA-N 1 1 397.563 4.150 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000411955136 823616365 /nfs/dbraw/zinc/61/63/65/823616365.db2.gz VHSLRORUPIBNLW-ZWKOTPCHSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000411955136 823616366 /nfs/dbraw/zinc/61/63/66/823616366.db2.gz VHSLRORUPIBNLW-ZWKOTPCHSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000411955133 823616420 /nfs/dbraw/zinc/61/64/20/823616420.db2.gz VHSLRORUPIBNLW-ROUUACIJSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000411955133 823616422 /nfs/dbraw/zinc/61/64/22/823616422.db2.gz VHSLRORUPIBNLW-ROUUACIJSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000411956633 823616571 /nfs/dbraw/zinc/61/65/71/823616571.db2.gz WIXJJIQCYOMHIO-RBUKOAKNSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000411956633 823616573 /nfs/dbraw/zinc/61/65/73/823616573.db2.gz WIXJJIQCYOMHIO-RBUKOAKNSA-N 1 1 399.288 4.412 20 0 GIADMO COc1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1F ZINC000061867834 823616797 /nfs/dbraw/zinc/61/67/97/823616797.db2.gz DPOJKIAQCITDNY-QGZVFWFLSA-N 1 1 399.510 4.208 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCOc1cccc(Cl)c1 ZINC000061868934 823616936 /nfs/dbraw/zinc/61/69/36/823616936.db2.gz XCAXZRBALALODT-UHFFFAOYSA-N 1 1 389.927 4.058 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC[N@H+]1C ZINC000124681925 823617035 /nfs/dbraw/zinc/61/70/35/823617035.db2.gz JWSXECJOKHABIV-PXNSSMCTSA-N 1 1 393.506 4.383 20 0 GIADMO CC[C@H](C)c1nnc(N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)n1Cc1cccs1 ZINC000461325383 823617920 /nfs/dbraw/zinc/61/79/20/823617920.db2.gz QKVNPVLJBLXCGQ-LZLYRXPVSA-N 1 1 375.586 4.068 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1ncc(C(C)(C)C)o1)C(C)C ZINC000411987673 823618336 /nfs/dbraw/zinc/61/83/36/823618336.db2.gz RAPKZAQVRCJBIG-INIZCTEOSA-N 1 1 392.565 4.344 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ncc(C(C)(C)C)o1)C(C)C ZINC000411987673 823618337 /nfs/dbraw/zinc/61/83/37/823618337.db2.gz RAPKZAQVRCJBIG-INIZCTEOSA-N 1 1 392.565 4.344 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)cs1)C1CC1 ZINC000411989026 823618499 /nfs/dbraw/zinc/61/84/99/823618499.db2.gz QVADJHPXWHPTEP-HXUWFJFHSA-N 1 1 381.545 4.428 20 0 GIADMO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1)c1ccc(F)cc1 ZINC000461329299 823618511 /nfs/dbraw/zinc/61/85/11/823618511.db2.gz CCMVIKDOFPOXMZ-YTFSRNRJSA-N 1 1 396.506 4.422 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1C ZINC000411990165 823618633 /nfs/dbraw/zinc/61/86/33/823618633.db2.gz QUVVYBGMVCEDSP-HYBUGGRVSA-N 1 1 392.543 4.334 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1C ZINC000411990165 823618635 /nfs/dbraw/zinc/61/86/35/823618635.db2.gz 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ZINC000063917794 823711630 /nfs/dbraw/zinc/71/16/30/823711630.db2.gz DWYNXXAEYRMERU-GGAORHGYSA-N 1 1 377.532 4.289 20 0 GIADMO CC(C)Oc1ccc(N(C)C(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000191609049 823711654 /nfs/dbraw/zinc/71/16/54/823711654.db2.gz MEERYOBPAOZVQA-RTBURBONSA-N 1 1 396.531 4.360 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(c2ccncc2)CC1 ZINC000191623874 823717102 /nfs/dbraw/zinc/71/71/02/823717102.db2.gz CALRXGPRXRBPAB-AWEZNQCLSA-N 1 1 377.410 4.307 20 0 GIADMO CCOc1ccccc1[C@H](CC)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000125816478 823718251 /nfs/dbraw/zinc/71/82/51/823718251.db2.gz WIPNLSZEEAQRFC-JRGCBEDISA-N 1 1 385.552 4.195 20 0 GIADMO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)no1 ZINC000191634438 823720737 /nfs/dbraw/zinc/72/07/37/823720737.db2.gz ALBSECKOPQBABQ-UHFFFAOYSA-N 1 1 385.414 4.403 20 0 GIADMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000163563177 823722475 /nfs/dbraw/zinc/72/24/75/823722475.db2.gz KEUPWBRKZRMDSR-KRWDZBQOSA-N 1 1 383.536 4.346 20 0 GIADMO CCc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cnn1-c1ccccc1C ZINC000191646611 823722900 /nfs/dbraw/zinc/72/29/00/823722900.db2.gz QVGHLQDGLUXWSN-MOPGFXCFSA-N 1 1 395.551 4.222 20 0 GIADMO C[C@H]1CCN(C(=O)C[NH+]2CCC(c3ccncc3)CC2)c2ccccc2S1 ZINC000191649398 823724322 /nfs/dbraw/zinc/72/43/22/823724322.db2.gz BEZPGLJWUPKLCE-KRWDZBQOSA-N 1 1 381.545 4.179 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCCCS(C)(=O)=O ZINC000163586969 823725678 /nfs/dbraw/zinc/72/56/78/823725678.db2.gz MHVMCHIOFHDVFC-MRXNPFEDSA-N 1 1 380.579 4.245 20 0 GIADMO COc1ccc(C(C)(C)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574423418 823725900 /nfs/dbraw/zinc/72/59/00/823725900.db2.gz SRDCNNQYMMKDIJ-VWLOTQADSA-N 1 1 392.543 4.097 20 0 GIADMO COc1cccc(F)c1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000461872786 823732333 /nfs/dbraw/zinc/73/23/33/823732333.db2.gz XJKMBMIVQLZYEQ-KRWDZBQOSA-N 1 1 376.859 4.055 20 0 GIADMO COc1cccc(F)c1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000461877806 823734645 /nfs/dbraw/zinc/73/46/45/823734645.db2.gz WAJCNHFDZGIZKZ-CALCHBBNSA-N 1 1 384.495 4.242 20 0 GIADMO COCOc1ccc(OC)cc1CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000163694719 823738232 /nfs/dbraw/zinc/73/82/32/823738232.db2.gz DIZLRGQDHYWCHS-LJQANCHMSA-N 1 1 398.547 4.200 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNCc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000574486591 823744683 /nfs/dbraw/zinc/74/46/83/823744683.db2.gz KNGZVZQUNJIOIZ-CQSZACIVSA-N 1 1 394.382 4.393 20 0 GIADMO Cc1csc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)n1 ZINC000125931596 823747426 /nfs/dbraw/zinc/74/74/26/823747426.db2.gz DZVIHOUOXLDVQP-UHFFFAOYSA-N 1 1 394.338 4.065 20 0 GIADMO C[N@H+](Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064138690 823753317 /nfs/dbraw/zinc/75/33/17/823753317.db2.gz GXRBBNIBCGPSLG-ZDUSSCGKSA-N 1 1 390.730 4.036 20 0 GIADMO C[N@@H+](CCc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000064142100 823754103 /nfs/dbraw/zinc/75/41/03/823754103.db2.gz ULBIYILOGXSXFZ-MRXNPFEDSA-N 1 1 398.728 4.017 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000574529415 823756360 /nfs/dbraw/zinc/75/63/60/823756360.db2.gz VNELYUQGWYSXPX-CABCVRRESA-N 1 1 384.442 4.138 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000574529415 823756362 /nfs/dbraw/zinc/75/63/62/823756362.db2.gz VNELYUQGWYSXPX-CABCVRRESA-N 1 1 384.442 4.138 20 0 GIADMO COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)cc1 ZINC000574539300 823758557 /nfs/dbraw/zinc/75/85/57/823758557.db2.gz QZOFEMCRRBGSMA-HSZRJFAPSA-N 1 1 392.547 4.397 20 0 GIADMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2ccccc2)nn1 ZINC000125984823 823759924 /nfs/dbraw/zinc/75/99/24/823759924.db2.gz YJSVWTOVMAVDIR-OAQYLSRUSA-N 1 1 386.499 4.019 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)N2CCSC3(CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000413361132 823759817 /nfs/dbraw/zinc/75/98/17/823759817.db2.gz OBNVHNFMDLQFML-ICSRJNTNSA-N 1 1 387.593 4.111 20 0 GIADMO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1F ZINC000163932995 823762174 /nfs/dbraw/zinc/76/21/74/823762174.db2.gz SCTKBFFKSHIPOH-SFHVURJKSA-N 1 1 386.511 4.166 20 0 GIADMO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1F ZINC000163932995 823762180 /nfs/dbraw/zinc/76/21/80/823762180.db2.gz SCTKBFFKSHIPOH-SFHVURJKSA-N 1 1 386.511 4.166 20 0 GIADMO C[C@H](CNc1ccc[nH+]c1N1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000574558305 823765485 /nfs/dbraw/zinc/76/54/85/823765485.db2.gz CQRBRHPNLQHFQI-CQSZACIVSA-N 1 1 379.426 4.277 20 0 GIADMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)C1 ZINC000461954613 823770817 /nfs/dbraw/zinc/77/08/17/823770817.db2.gz DABJDDGFYIFNRI-KRWDZBQOSA-N 1 1 376.909 4.150 20 0 GIADMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)C1 ZINC000461954613 823770824 /nfs/dbraw/zinc/77/08/24/823770824.db2.gz DABJDDGFYIFNRI-KRWDZBQOSA-N 1 1 376.909 4.150 20 0 GIADMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4ccncc4)cc3F)C2=O)cc1 ZINC000191798913 823771672 /nfs/dbraw/zinc/77/16/72/823771672.db2.gz XHJWLMKXVLPSJB-QHCPKHFHSA-N 1 1 389.474 4.087 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(-c3ccccc3)o2)c1 ZINC000064225173 823773679 /nfs/dbraw/zinc/77/36/79/823773679.db2.gz QCFQAYNWJTUJLR-UHFFFAOYSA-N 1 1 377.488 4.398 20 0 GIADMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000191806062 823775170 /nfs/dbraw/zinc/77/51/70/823775170.db2.gz NWLQJHYJIACZLN-RDJZCZTQSA-N 1 1 391.334 4.470 20 0 GIADMO Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000164068541 823775247 /nfs/dbraw/zinc/77/52/47/823775247.db2.gz NZOBYXCTQGKARR-KRWDZBQOSA-N 1 1 377.488 4.430 20 0 GIADMO Cc1cccn2c(=O)cc(CNc3ccccc3C[N@H+](C)C3CCCCC3)nc12 ZINC000126049851 823775393 /nfs/dbraw/zinc/77/53/93/823775393.db2.gz LLJFRUCOBKKAHI-UHFFFAOYSA-N 1 1 390.531 4.380 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000064229289 823775670 /nfs/dbraw/zinc/77/56/70/823775670.db2.gz IGGZMZMCVNINLL-QHCPKHFHSA-N 1 1 395.547 4.029 20 0 GIADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccnc2SCc2ccc(F)cc2)C1 ZINC000164094798 823777421 /nfs/dbraw/zinc/77/74/21/823777421.db2.gz BWBBXJAYMCKRRO-XLIONFOSSA-N 1 1 399.535 4.069 20 0 GIADMO CCc1cccc(F)c1C[NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 ZINC000574609016 823780155 /nfs/dbraw/zinc/78/01/55/823780155.db2.gz LIFXRIJJGRROFC-UHFFFAOYSA-N 1 1 395.478 4.047 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cc1)C1CC1 ZINC000164149577 823781509 /nfs/dbraw/zinc/78/15/09/823781509.db2.gz UNIDGHOTKKPTEJ-JOCHJYFZSA-N 1 1 377.532 4.388 20 0 GIADMO C[N@@H+](CCCCS(C)(=O)=O)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000164174420 823783714 /nfs/dbraw/zinc/78/37/14/823783714.db2.gz NAPAWDJCVHTKSX-IBGZPJMESA-N 1 1 383.916 4.325 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000574643933 823789318 /nfs/dbraw/zinc/78/93/18/823789318.db2.gz DKQVQTQFZGLSTI-UHFFFAOYSA-N 1 1 385.939 4.038 20 0 GIADMO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)CC(F)(F)F ZINC000413526036 823792334 /nfs/dbraw/zinc/79/23/34/823792334.db2.gz BAYAQBIVZFZCJQ-RDJZCZTQSA-N 1 1 385.474 4.175 20 0 GIADMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000164291558 823793367 /nfs/dbraw/zinc/79/33/67/823793367.db2.gz XHADOPOZQSINBZ-CYBMUJFWSA-N 1 1 394.393 4.283 20 0 GIADMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000164291558 823793372 /nfs/dbraw/zinc/79/33/72/823793372.db2.gz XHADOPOZQSINBZ-CYBMUJFWSA-N 1 1 394.393 4.283 20 0 GIADMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000462013243 823794195 /nfs/dbraw/zinc/79/41/95/823794195.db2.gz VVOPURNAKLLXKK-MRXNPFEDSA-N 1 1 388.581 4.306 20 0 GIADMO COc1ccc(CN(Cc2ccccc2)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000462012321 823794438 /nfs/dbraw/zinc/79/44/38/823794438.db2.gz UBCXPZDEGBNGRY-IBGZPJMESA-N 1 1 383.536 4.136 20 0 GIADMO CSCC[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)c1nnc2ccccn21 ZINC000164298335 823794480 /nfs/dbraw/zinc/79/44/80/823794480.db2.gz MEZZLSWBSXMFKN-BBRMVZONSA-N 1 1 392.475 4.476 20 0 GIADMO Cc1ccccc1CN(C)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000064334672 823795618 /nfs/dbraw/zinc/79/56/18/823795618.db2.gz NJZJVLOAMCQGOT-NRFANRHFSA-N 1 1 390.449 4.408 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349171 823798231 /nfs/dbraw/zinc/79/82/31/823798231.db2.gz KFOZSBQGQXACOI-OAHLLOKOSA-N 1 1 379.460 4.413 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349171 823798239 /nfs/dbraw/zinc/79/82/39/823798239.db2.gz KFOZSBQGQXACOI-OAHLLOKOSA-N 1 1 379.460 4.413 20 0 GIADMO COCOc1ccc(OC)cc1CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000164377955 823798997 /nfs/dbraw/zinc/79/89/97/823798997.db2.gz OEIWUQHGYNTMJL-UHFFFAOYSA-N 1 1 398.547 4.344 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(SCc2cccnc2)cc1)Cc1ccccc1 ZINC000064364516 823801003 /nfs/dbraw/zinc/80/10/03/823801003.db2.gz XRCPAUGLLDKPEP-UHFFFAOYSA-N 1 1 377.513 4.444 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(SCc2cccnc2)cc1)Cc1ccccc1 ZINC000064364516 823801010 /nfs/dbraw/zinc/80/10/10/823801010.db2.gz XRCPAUGLLDKPEP-UHFFFAOYSA-N 1 1 377.513 4.444 20 0 GIADMO O=C(Nc1cccc(CSc2ccccn2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000462027651 823801399 /nfs/dbraw/zinc/80/13/99/823801399.db2.gz AXXUVSBEOXFJLN-UHFFFAOYSA-N 1 1 394.500 4.210 20 0 GIADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cccc(C(F)F)c1 ZINC000191882188 823803228 /nfs/dbraw/zinc/80/32/28/823803228.db2.gz XVRPMDGFDGANAL-IBGZPJMESA-N 1 1 389.446 4.037 20 0 GIADMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3cccc(-c4cccs4)c3)C2)CC1 ZINC000126167454 823804063 /nfs/dbraw/zinc/80/40/63/823804063.db2.gz DVGGLBXGKSZTJF-HXUWFJFHSA-N 1 1 398.576 4.049 20 0 GIADMO C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000164513650 823806698 /nfs/dbraw/zinc/80/66/98/823806698.db2.gz UPVUIQHIHRQKML-HXUWFJFHSA-N 1 1 397.563 4.182 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Br)c(OC)c1OC ZINC000164537487 823807714 /nfs/dbraw/zinc/80/77/14/823807714.db2.gz PGXOCHAONXCSHN-LLVKDONJSA-N 1 1 398.272 4.465 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000462040235 823807687 /nfs/dbraw/zinc/80/76/87/823807687.db2.gz MBFBLECUHFLPOO-PUECVXPYSA-N 1 1 384.351 4.426 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)o2)c(C)c1 ZINC000164560368 823808318 /nfs/dbraw/zinc/80/83/18/823808318.db2.gz MZFHVIBLMJHNGD-QUCCMNQESA-N 1 1 382.504 4.032 20 0 GIADMO COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc(C[N@H+]3CCCC[C@H]3C)cc1)C2 ZINC000064393786 823809261 /nfs/dbraw/zinc/80/92/61/823809261.db2.gz BFXDANMHJHGKPN-XLIONFOSSA-N 1 1 394.515 4.259 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191905983 823809368 /nfs/dbraw/zinc/80/93/68/823809368.db2.gz FSLNQOUXPWIZQL-AWEZNQCLSA-N 1 1 399.318 4.130 20 0 GIADMO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191905983 823809378 /nfs/dbraw/zinc/80/93/78/823809378.db2.gz FSLNQOUXPWIZQL-AWEZNQCLSA-N 1 1 399.318 4.130 20 0 GIADMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(Oc4ccccc4)ccc3O)n1)OC2 ZINC000574724228 823810144 /nfs/dbraw/zinc/81/01/44/823810144.db2.gz BPXCPJXQEWSWET-UGKGYDQZSA-N 1 1 393.443 4.160 20 0 GIADMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574725315 823810531 /nfs/dbraw/zinc/81/05/31/823810531.db2.gz DZFPSZYDQYJCDY-TXEJJXNPSA-N 1 1 387.368 4.223 20 0 GIADMO CC(C)(CO)[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1cccs1 ZINC000574726253 823810642 /nfs/dbraw/zinc/81/06/42/823810642.db2.gz VZTOAOMGVPTIFV-SFHVURJKSA-N 1 1 377.460 4.061 20 0 GIADMO CCCCOc1ccc(NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c(C)c1 ZINC000164603400 823811453 /nfs/dbraw/zinc/81/14/53/823811453.db2.gz KNJNCOODTLXMRV-UHFFFAOYSA-N 1 1 382.508 4.231 20 0 GIADMO C[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(F)c(Br)c1 ZINC000462055715 823814799 /nfs/dbraw/zinc/81/47/99/823814799.db2.gz QORGDNNIGNQUBZ-DZGCQCFKSA-N 1 1 397.332 4.215 20 0 GIADMO Cc1cccc(Nc2nn(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c(=S)s2)c1 ZINC000164654740 823814778 /nfs/dbraw/zinc/81/47/78/823814778.db2.gz JEGFNERXDKUHKD-WBVHZDCISA-N 1 1 389.594 4.100 20 0 GIADMO FC(F)(F)C[C@@H]1CCCC[C@@H]1Nc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000574738769 823815264 /nfs/dbraw/zinc/81/52/64/823815264.db2.gz GNDLJCVHVNUVHW-WFASDCNBSA-N 1 1 376.386 4.134 20 0 GIADMO COc1ccc(CCN(CC(C)(C)C)C(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000462069796 823819103 /nfs/dbraw/zinc/81/91/03/823819103.db2.gz DGPKRXKZHLXMCL-UHFFFAOYSA-N 1 1 399.535 4.010 20 0 GIADMO Cc1csc(SCc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)n1 ZINC000126245832 823820051 /nfs/dbraw/zinc/82/00/51/823820051.db2.gz BYVMIRFXXSOGLL-KBXCAEBGSA-N 1 1 389.590 4.156 20 0 GIADMO C[N@@H+]1CC=C(CN[C@@H](c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000574762533 823820417 /nfs/dbraw/zinc/82/04/17/823820417.db2.gz WEMRDSOXSISZOY-GOSISDBHSA-N 1 1 379.273 4.122 20 0 GIADMO Cc1ccccc1-c1cc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)n(C)n1 ZINC000462076277 823820568 /nfs/dbraw/zinc/82/05/68/823820568.db2.gz VEOYCIDCSQPMAC-GOSISDBHSA-N 1 1 383.540 4.172 20 0 GIADMO CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000462080311 823822300 /nfs/dbraw/zinc/82/23/00/823822300.db2.gz UMEXQMGULKTLFQ-LJQANCHMSA-N 1 1 385.577 4.168 20 0 GIADMO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164864097 823823489 /nfs/dbraw/zinc/82/34/89/823823489.db2.gz DEVNMMXCRSLKKW-HOTGVXAUSA-N 1 1 385.474 4.277 20 0 GIADMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164864097 823823496 /nfs/dbraw/zinc/82/34/96/823823496.db2.gz DEVNMMXCRSLKKW-HOTGVXAUSA-N 1 1 385.474 4.277 20 0 GIADMO Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+](C[C@H]3CCOC3)C3CC3)n2)cc1C ZINC000164866794 823823776 /nfs/dbraw/zinc/82/37/76/823823776.db2.gz JNTJOQZHDJSBNF-QGZVFWFLSA-N 1 1 399.560 4.175 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc4ccc(F)cc4n3)cc2)C[C@H](C)O1 ZINC000462088572 823824496 /nfs/dbraw/zinc/82/44/96/823824496.db2.gz NXNAUHGSOFIGRA-CALCHBBNSA-N 1 1 379.479 4.017 20 0 GIADMO COCCCOc1cc(C)ccc1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000574798199 823829836 /nfs/dbraw/zinc/82/98/36/823829836.db2.gz DYXQBALAUOTOJB-UHFFFAOYSA-N 1 1 383.410 4.425 20 0 GIADMO C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)CC(F)(F)F ZINC000413742505 823830084 /nfs/dbraw/zinc/83/00/84/823830084.db2.gz DNAWXNSQOGEHIW-AWEZNQCLSA-N 1 1 391.865 4.146 20 0 GIADMO C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)CC(F)(F)F ZINC000413742505 823830090 /nfs/dbraw/zinc/83/00/90/823830090.db2.gz DNAWXNSQOGEHIW-AWEZNQCLSA-N 1 1 391.865 4.146 20 0 GIADMO CN(C)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)cn1 ZINC000574799347 823830561 /nfs/dbraw/zinc/83/05/61/823830561.db2.gz RJFANQJRABVLPO-UHFFFAOYSA-N 1 1 388.231 4.219 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3Cl)c2)C1 ZINC000064497995 823831428 /nfs/dbraw/zinc/83/14/28/823831428.db2.gz QBCYMYHAWNTMTQ-SOLBZPMBSA-N 1 1 386.927 4.003 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000126295233 823832677 /nfs/dbraw/zinc/83/26/77/823832677.db2.gz DQKFINHQZKVRJP-PKTZIBPZSA-N 1 1 386.486 4.092 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@H]2NC2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000126295233 823832688 /nfs/dbraw/zinc/83/26/88/823832688.db2.gz DQKFINHQZKVRJP-PKTZIBPZSA-N 1 1 386.486 4.092 20 0 GIADMO Brc1cccc(-c2cnc(C[N@H+]3CC[C@@H](c4cccnc4)C3)o2)c1 ZINC000574808045 823832877 /nfs/dbraw/zinc/83/28/77/823832877.db2.gz PWVUDVIYWLZCQM-MRXNPFEDSA-N 1 1 384.277 4.489 20 0 GIADMO C[C@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000413763288 823836530 /nfs/dbraw/zinc/83/65/30/823836530.db2.gz MVWQILNXDGZJAW-KRWDZBQOSA-N 1 1 397.485 4.273 20 0 GIADMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC(C)(C)C1 ZINC000574841277 823839671 /nfs/dbraw/zinc/83/96/71/823839671.db2.gz XLZXHWYILJKUIU-HNNXBMFYSA-N 1 1 385.533 4.307 20 0 GIADMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3sccc3Br)C2)n1 ZINC000165208806 823840073 /nfs/dbraw/zinc/84/00/73/823840073.db2.gz NQZNZNWSYKEJRL-ZDUSSCGKSA-N 1 1 394.338 4.065 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cccc(COC(C)C)c3)CC2)c1 ZINC000064544033 823840166 /nfs/dbraw/zinc/84/01/66/823840166.db2.gz PEQDYGTULZYYOW-UHFFFAOYSA-N 1 1 381.520 4.270 20 0 GIADMO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318677 823843316 /nfs/dbraw/zinc/84/33/16/823843316.db2.gz WRAOJIXADMBYJS-IFMALSPDSA-N 1 1 391.559 4.029 20 0 GIADMO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318677 823843324 /nfs/dbraw/zinc/84/33/24/823843324.db2.gz WRAOJIXADMBYJS-IFMALSPDSA-N 1 1 391.559 4.029 20 0 GIADMO CC[C@H](CNC(=O)Nc1cc(OC)ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000064561070 823844418 /nfs/dbraw/zinc/84/44/18/823844418.db2.gz OAVKSNFICXDYFJ-QGZVFWFLSA-N 1 1 387.911 4.307 20 0 GIADMO COc1ccc(Cl)c(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000064560972 823844437 /nfs/dbraw/zinc/84/44/37/823844437.db2.gz CBQMGEXQDRFZJU-QGZVFWFLSA-N 1 1 382.291 4.426 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Oc1cccnc1 ZINC000165344916 823844643 /nfs/dbraw/zinc/84/46/43/823844643.db2.gz ZSCPAJXYQYTXJY-PXNSSMCTSA-N 1 1 380.492 4.130 20 0 GIADMO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000165353938 823845099 /nfs/dbraw/zinc/84/50/99/823845099.db2.gz WRMXHOFCGZNCCD-BBRMVZONSA-N 1 1 385.430 4.052 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)nnn1-c1cccc(Cl)c1 ZINC000165380580 823846648 /nfs/dbraw/zinc/84/66/48/823846648.db2.gz GMSYQBHEERDNOD-OLZOCXBDSA-N 1 1 398.898 4.132 20 0 GIADMO O=C(C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)Nc1ccc(F)cc1 ZINC000064614714 823853178 /nfs/dbraw/zinc/85/31/78/823853178.db2.gz QRTIEPFFHXSPGQ-UHFFFAOYSA-N 1 1 381.432 4.424 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000462173003 823853557 /nfs/dbraw/zinc/85/35/57/823853557.db2.gz BHYYLTJPRGPTCT-YOEHRIQHSA-N 1 1 383.542 4.122 20 0 GIADMO Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c2c1 ZINC000462175546 823854790 /nfs/dbraw/zinc/85/47/90/823854790.db2.gz KTACDIHCZLIPAI-WZONZLPQSA-N 1 1 375.516 4.046 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1nc(-c2cccnc2)no1 ZINC000192082662 823854789 /nfs/dbraw/zinc/85/47/89/823854789.db2.gz GJPJGWJJERXNPX-SSKCKEOISA-N 1 1 388.830 4.105 20 0 GIADMO Cc1nn(C)c(Cl)c1C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000126395083 823856241 /nfs/dbraw/zinc/85/62/41/823856241.db2.gz FKOYMXRVCHKQCQ-LJQANCHMSA-N 1 1 397.885 4.402 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C2CC2)cc1 ZINC000064641618 823856360 /nfs/dbraw/zinc/85/63/60/823856360.db2.gz BHJBPJGRNYBPQC-HNNXBMFYSA-N 1 1 386.458 4.095 20 0 GIADMO C[C@H](NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000574902423 823857306 /nfs/dbraw/zinc/85/73/06/823857306.db2.gz UQDVOHPQGJPRHU-ROUUACIJSA-N 1 1 394.519 4.061 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1occc1COc1ccccc1 ZINC000462180388 823857308 /nfs/dbraw/zinc/85/73/08/823857308.db2.gz HKIQZNZYVDICOX-XMSQKQJNSA-N 1 1 390.483 4.109 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000462182468 823858302 /nfs/dbraw/zinc/85/83/02/823858302.db2.gz OVBRSFJGFDNLRY-MBSDFSHPSA-N 1 1 375.516 4.127 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2nnc(-c3ccccc3Cl)o2)cc1F ZINC000192111549 823863692 /nfs/dbraw/zinc/86/36/92/823863692.db2.gz NCZMMNNMPVYDPF-AEFFLSMTSA-N 1 1 391.805 4.288 20 0 GIADMO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1nc(-c2cccs2)no1 ZINC000192112014 823864116 /nfs/dbraw/zinc/86/41/16/823864116.db2.gz XGMODXKQIPAYOS-JMPLFQLZSA-N 1 1 377.416 4.257 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000192113342 823864738 /nfs/dbraw/zinc/86/47/38/823864738.db2.gz GYXJTWXVBVZAJZ-UXHICEINSA-N 1 1 386.398 4.248 20 0 GIADMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462198689 823866151 /nfs/dbraw/zinc/86/61/51/823866151.db2.gz KMRQQYHUVLYMIJ-HUUCEWRRSA-N 1 1 375.900 4.188 20 0 GIADMO CN(C)c1cc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)cc[nH+]1 ZINC000462202351 823868411 /nfs/dbraw/zinc/86/84/11/823868411.db2.gz VRLACDZHDBKELY-UHFFFAOYSA-N 1 1 376.338 4.074 20 0 GIADMO COCCCOC1CC[NH+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000166040488 823869136 /nfs/dbraw/zinc/86/91/36/823869136.db2.gz VRAKZAYVVOFYFF-UHFFFAOYSA-N 1 1 398.425 4.378 20 0 GIADMO C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181744 823871792 /nfs/dbraw/zinc/87/17/92/823871792.db2.gz MKNXIUZNELWFBO-ZPMCFJSWSA-N 1 1 395.522 4.284 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000064726155 823872675 /nfs/dbraw/zinc/87/26/75/823872675.db2.gz HROLWUCPDVFXCO-FGTMMUONSA-N 1 1 385.577 4.483 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(Br)cc1F ZINC000574961415 823873027 /nfs/dbraw/zinc/87/30/27/823873027.db2.gz BPBDXSDDACGBHX-VIFPVBQESA-N 1 1 387.199 4.156 20 0 GIADMO COc1ccc2cc(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)c(C)nc2c1 ZINC000064735235 823875362 /nfs/dbraw/zinc/87/53/62/823875362.db2.gz JYMSVZVBZOJDOT-JTDSTZFVSA-N 1 1 381.520 4.029 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000166315591 823875447 /nfs/dbraw/zinc/87/54/47/823875447.db2.gz AWNALCWRBTWGGB-MSOLQXFVSA-N 1 1 379.426 4.419 20 0 GIADMO C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CCS1 ZINC000192174417 823891489 /nfs/dbraw/zinc/89/14/89/823891489.db2.gz KLFFVGCEUWANPH-ZDUSSCGKSA-N 1 1 378.339 4.234 20 0 GIADMO C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CCS1 ZINC000192174411 823891533 /nfs/dbraw/zinc/89/15/33/823891533.db2.gz KLFFVGCEUWANPH-CYBMUJFWSA-N 1 1 378.339 4.234 20 0 GIADMO C[C@@H]1C[C@H](N(C)c2nnc(-c3ccccc3F)n2C)CC[N@H+]1Cc1ccccc1 ZINC000575028167 823893000 /nfs/dbraw/zinc/89/30/00/823893000.db2.gz VGBQTTFPYRQXQV-IEBWSBKVSA-N 1 1 393.510 4.111 20 0 GIADMO C[C@H]1C[C@H](N(C)c2nnc(-c3ccccc3F)n2C)CC[N@H+]1Cc1ccccc1 ZINC000575028169 823893149 /nfs/dbraw/zinc/89/31/49/823893149.db2.gz VGBQTTFPYRQXQV-PKOBYXMFSA-N 1 1 393.510 4.111 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000462244608 823893745 /nfs/dbraw/zinc/89/37/45/823893745.db2.gz LJZINIBBLIKMNV-UZLBHIALSA-N 1 1 392.528 4.452 20 0 GIADMO C[C@H]1CC[N@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)CCS1 ZINC000192184606 823895456 /nfs/dbraw/zinc/89/54/56/823895456.db2.gz OMWMNUMJQGKRLO-INIZCTEOSA-N 1 1 387.574 4.140 20 0 GIADMO C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)CCS1 ZINC000192184606 823895461 /nfs/dbraw/zinc/89/54/61/823895461.db2.gz OMWMNUMJQGKRLO-INIZCTEOSA-N 1 1 387.574 4.140 20 0 GIADMO C[C@@H]([NH2+]CC(C)(C)N[C@@H](C)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000167853479 823896880 /nfs/dbraw/zinc/89/68/80/823896880.db2.gz KYXUIAOQZUSNKF-MSOLQXFVSA-N 1 1 381.520 4.423 20 0 GIADMO C[C@H](CC(=O)Nc1cccnc1Cl)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000167848606 823897012 /nfs/dbraw/zinc/89/70/12/823897012.db2.gz OIFHDCVDWVFHIA-HZPDHXFCSA-N 1 1 388.943 4.171 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)ccc1OC(F)F ZINC000167940506 823898828 /nfs/dbraw/zinc/89/88/28/823898828.db2.gz CCZOUYAKFOSNEW-JSGCOSHPSA-N 1 1 380.439 4.197 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCC(C)CC2)s1 ZINC000414071513 823901248 /nfs/dbraw/zinc/90/12/48/823901248.db2.gz LYBZBNFVNHWWLN-WMZOPIPTSA-N 1 1 387.549 4.054 20 0 GIADMO CC1(C)CN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000575062614 823902032 /nfs/dbraw/zinc/90/20/32/823902032.db2.gz UABRFBYASZLCGK-UHFFFAOYSA-N 1 1 375.472 4.034 20 0 GIADMO COc1cc(Cl)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000575066484 823902616 /nfs/dbraw/zinc/90/26/16/823902616.db2.gz UICVJBPRRFGSOU-KBXCAEBGSA-N 1 1 377.916 4.138 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000414076276 823903373 /nfs/dbraw/zinc/90/33/73/823903373.db2.gz YFHQOJXTLYLQDH-BBRMVZONSA-N 1 1 393.940 4.071 20 0 GIADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000168549038 823903728 /nfs/dbraw/zinc/90/37/28/823903728.db2.gz UMLQJHVROZPEBY-OPAMFIHVSA-N 1 1 398.503 4.174 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccn(C)n1 ZINC000414078888 823903938 /nfs/dbraw/zinc/90/39/38/823903938.db2.gz SJJBJPASAQOZKC-HOTGVXAUSA-N 1 1 380.467 4.152 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc(N2CCCC2)[nH+]1 ZINC000462262699 823904386 /nfs/dbraw/zinc/90/43/86/823904386.db2.gz UTRGRSGSKSGBEI-VQIMIIECSA-N 1 1 382.508 4.266 20 0 GIADMO Cc1ccc(OC(F)F)c(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000168610107 823904854 /nfs/dbraw/zinc/90/48/54/823904854.db2.gz ZGZQWIAOPCEWMY-INIZCTEOSA-N 1 1 378.463 4.388 20 0 GIADMO CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2csc(-c3ccccc3)n2)c1 ZINC000414085986 823905917 /nfs/dbraw/zinc/90/59/17/823905917.db2.gz ZCRMVNWKMQFDQV-MRXNPFEDSA-N 1 1 395.528 4.176 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccn(-c2ccccc2Cl)n1 ZINC000064894611 823907188 /nfs/dbraw/zinc/90/71/88/823907188.db2.gz HWRLLVJBDMGZHI-IBGZPJMESA-N 1 1 398.894 4.076 20 0 GIADMO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414091588 823907162 /nfs/dbraw/zinc/90/71/62/823907162.db2.gz LUHFZTDKCGCKGA-HLRQEUIKSA-N 1 1 376.972 4.334 20 0 GIADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)cc1Cl ZINC000192219751 823907483 /nfs/dbraw/zinc/90/74/83/823907483.db2.gz YFSAAVVYQKPRCX-KRWDZBQOSA-N 1 1 393.314 4.014 20 0 GIADMO CN(Cc1ccccc1)c1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000168985022 823907565 /nfs/dbraw/zinc/90/75/65/823907565.db2.gz KAYBEBILNJAXOS-IRLDBZIGSA-N 1 1 392.547 4.271 20 0 GIADMO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000169276206 823910684 /nfs/dbraw/zinc/91/06/84/823910684.db2.gz NGIOAPFPVUNTIU-QGZVFWFLSA-N 1 1 391.943 4.046 20 0 GIADMO C[C@H](NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106742 823911204 /nfs/dbraw/zinc/91/12/04/823911204.db2.gz RHEAUQABDNPFIK-DZFGPLHGSA-N 1 1 393.556 4.096 20 0 GIADMO C[C@H](NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414106742 823911211 /nfs/dbraw/zinc/91/12/11/823911211.db2.gz RHEAUQABDNPFIK-DZFGPLHGSA-N 1 1 393.556 4.096 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097936 823911872 /nfs/dbraw/zinc/91/18/72/823911872.db2.gz UTYFTWSAFCGZDK-NHCUHLMSSA-N 1 1 385.471 4.278 20 0 GIADMO Cc1cnn([C@@H]2CC[N@H+]([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)C2)c1 ZINC000575097936 823911879 /nfs/dbraw/zinc/91/18/79/823911879.db2.gz UTYFTWSAFCGZDK-NHCUHLMSSA-N 1 1 385.471 4.278 20 0 GIADMO Cc1ccc(NCC2Cc3ccccc3C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000575101304 823912670 /nfs/dbraw/zinc/91/26/70/823912670.db2.gz FIQCJIHLIPOSDP-UHFFFAOYSA-N 1 1 377.532 4.246 20 0 GIADMO O=C([C@H]1CC12CC[NH+](Cc1cc(O)cc(C(F)(F)F)c1)CC2)N1CCCCC1 ZINC000575101394 823912844 /nfs/dbraw/zinc/91/28/44/823912844.db2.gz JJMKCYPHGVADTI-GOSISDBHSA-N 1 1 396.453 4.026 20 0 GIADMO O=C1C[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)C(=O)N1c1cccc2ccccc21 ZINC000462285608 823912812 /nfs/dbraw/zinc/91/28/12/823912812.db2.gz BXQMDEWHPIHMSO-AUSIDOKSSA-N 1 1 384.479 4.036 20 0 GIADMO C[C@@H]1C(=O)CC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000575103350 823913657 /nfs/dbraw/zinc/91/36/57/823913657.db2.gz UKWSHAMONRRKDX-NRSPTQNISA-N 1 1 384.564 4.046 20 0 GIADMO Oc1ccc2c(c1)OCC[N@@H+](Cc1cn(-c3ccccc3)nc1-c1cccnc1)C2 ZINC000575132109 823919309 /nfs/dbraw/zinc/91/93/09/823919309.db2.gz IGZQTTYCWHJADW-UHFFFAOYSA-N 1 1 398.466 4.035 20 0 GIADMO Oc1ccc2c(c1)OCC[N@H+](Cc1cn(-c3ccccc3)nc1-c1cccnc1)C2 ZINC000575132109 823919323 /nfs/dbraw/zinc/91/93/23/823919323.db2.gz IGZQTTYCWHJADW-UHFFFAOYSA-N 1 1 398.466 4.035 20 0 GIADMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccccc1Cl ZINC000575131369 823919504 /nfs/dbraw/zinc/91/95/04/823919504.db2.gz XCMDUNOCMRCNHX-CDHQVMDDSA-N 1 1 382.895 4.068 20 0 GIADMO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575134567 823920828 /nfs/dbraw/zinc/92/08/28/823920828.db2.gz BTZHSKSLGRXYSK-YSFYHYPLSA-N 1 1 393.955 4.060 20 0 GIADMO Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462326030 823925424 /nfs/dbraw/zinc/92/54/24/823925424.db2.gz JHMSDPCOQYPGCT-KSSFIOAISA-N 1 1 398.981 4.071 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000170647141 823925823 /nfs/dbraw/zinc/92/58/23/823925823.db2.gz SRJMVSOSVKOAAU-KRWDZBQOSA-N 1 1 383.492 4.221 20 0 GIADMO FC(F)c1nccnc1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000575155050 823925906 /nfs/dbraw/zinc/92/59/06/823925906.db2.gz ADRJSIMJJXQVTQ-UHFFFAOYSA-N 1 1 387.261 4.219 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000170647531 823925934 /nfs/dbraw/zinc/92/59/34/823925934.db2.gz PZQXXKJCXGFRHQ-AWEZNQCLSA-N 1 1 391.899 4.342 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000170647531 823925939 /nfs/dbraw/zinc/92/59/39/823925939.db2.gz PZQXXKJCXGFRHQ-AWEZNQCLSA-N 1 1 391.899 4.342 20 0 GIADMO Cc1[nH]c2ccc(CNC(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)cc2c1C ZINC000065018546 823926008 /nfs/dbraw/zinc/92/60/08/823926008.db2.gz 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C[N@@H+](CCCNC(=O)N[C@H](c1ccccc1)c1cccnc1)C1CCCCC1 ZINC000170892481 824001745 /nfs/dbraw/zinc/00/17/45/824001745.db2.gz NAHYJKOXUPJLMR-JOCHJYFZSA-N 1 1 380.536 4.125 20 0 GIADMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000575820124 824003105 /nfs/dbraw/zinc/00/31/05/824003105.db2.gz QKYVJNHSVWZWDA-MOPGFXCFSA-N 1 1 381.358 4.085 20 0 GIADMO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000192469971 824003347 /nfs/dbraw/zinc/00/33/47/824003347.db2.gz ZEBLYABZOPGMLL-LJQANCHMSA-N 1 1 395.396 4.473 20 0 GIADMO Cn1c2ccccc2cc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c1=O ZINC000575822580 824003524 /nfs/dbraw/zinc/00/35/24/824003524.db2.gz OXNDQZFFSYCIHK-UHFFFAOYSA-N 1 1 376.378 4.069 20 0 GIADMO O[C@@H]1[C@@H]([NH2+]Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCCC1(F)F ZINC000414533912 824003538 /nfs/dbraw/zinc/00/35/38/824003538.db2.gz JDGOLWCNRUBEAY-UONOGXRCSA-N 1 1 392.393 4.467 20 0 GIADMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c(OCc2cccnc2)c1 ZINC000414534523 824004098 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376.369 4.004 20 0 GIADMO CO[C@@H](C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000575931683 824031622 /nfs/dbraw/zinc/03/16/22/824031622.db2.gz VSTARVXWYJGFDI-UWJYYQICSA-N 1 1 385.483 4.047 20 0 GIADMO Clc1ccc(-c2nn(Cc3ccccc3)cc2CNC2CC[NH2+]CC2)cc1 ZINC000414779675 824035507 /nfs/dbraw/zinc/03/55/07/824035507.db2.gz AERUVSBYTBHUDC-UHFFFAOYSA-N 1 1 380.923 4.093 20 0 GIADMO CCC([NH3+])(CC)CN[C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414811189 824038148 /nfs/dbraw/zinc/03/81/48/824038148.db2.gz PBGNCQWMBMNBLH-LLVKDONJSA-N 1 1 379.854 4.183 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C)n(-c4cc(C)on4)c3C)c2C1 ZINC000171028467 824042517 /nfs/dbraw/zinc/04/25/17/824042517.db2.gz NJWZDOKWBHUCBG-UHFFFAOYSA-N 1 1 378.476 4.368 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C)n(-c4cc(C)on4)c3C)c2C1 ZINC000171028467 824042522 /nfs/dbraw/zinc/04/25/22/824042522.db2.gz NJWZDOKWBHUCBG-UHFFFAOYSA-N 1 1 378.476 4.368 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(Cn2nc(C(C)(C)C)[nH]c2=S)CC1 ZINC000171041613 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Clc1ccnc2cnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc12 ZINC001164628924 719085346 /nfs/dbraw/zinc/08/53/46/719085346.db2.gz UWSLYDRGTIEAQF-UWJYYQICSA-N 1 1 378.907 4.384 20 0 GIADMO Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)nn1 ZINC001164622658 719099330 /nfs/dbraw/zinc/09/93/30/719099330.db2.gz CFKCLHCEYQNIMU-AEFFLSMTSA-N 1 1 392.881 4.084 20 0 GIADMO C[C@@H]1CN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)[C@@H](C)C[N@@H+]1C ZINC001164633434 719210797 /nfs/dbraw/zinc/21/07/97/719210797.db2.gz DREULOAJULZDNW-KGLIPLIRSA-N 1 1 381.854 4.356 20 0 GIADMO C[C@@H]1CN(C(F)(F)Oc2ccc(-c3ccnc(Cl)c3)cc2)[C@@H](C)C[N@H+]1C ZINC001164633434 719210803 /nfs/dbraw/zinc/21/08/03/719210803.db2.gz DREULOAJULZDNW-KGLIPLIRSA-N 1 1 381.854 4.356 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164648366 719309700 /nfs/dbraw/zinc/30/97/00/719309700.db2.gz JFHLRFOSTAGANO-UHFFFAOYSA-N 1 1 383.927 4.290 20 0 GIADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164648955 719309947 /nfs/dbraw/zinc/30/99/47/719309947.db2.gz NEOWAAPQOZJUFT-UHFFFAOYSA-N 1 1 383.927 4.290 20 0 GIADMO Cc1cc2c(ncnc2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)s1 ZINC001164691484 719803347 /nfs/dbraw/zinc/80/33/47/719803347.db2.gz IDMJVCHSAYOYDC-UHFFFAOYSA-N 1 1 399.589 4.400 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4ccc(C)cc42)CC3)cs1 ZINC001164692227 719805834 /nfs/dbraw/zinc/80/58/34/719805834.db2.gz LTSWQEPHAXWDGS-UHFFFAOYSA-N 1 1 393.560 4.338 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc4ccccc4nn2)CC3)cs1 ZINC001164693965 719808859 /nfs/dbraw/zinc/80/88/59/719808859.db2.gz STAVGDGPJPKMHC-UHFFFAOYSA-N 1 1 379.533 4.030 20 0 GIADMO Cc1nc(CN2CCCC23CCN(c2cc(N4CCCC4)cc[nH+]2)CC3)cs1 ZINC001164691570 719811386 /nfs/dbraw/zinc/81/13/86/719811386.db2.gz HNRGUMPVZKGDHM-UHFFFAOYSA-N 1 1 397.592 4.082 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C(C)(C)C)ncn2)CC3)cs1 ZINC001164693435 719813117 /nfs/dbraw/zinc/81/31/17/719813117.db2.gz VALRARDJFITXAH-UHFFFAOYSA-N 1 1 385.581 4.174 20 0 GIADMO Cc1cc(Cl)c(C)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696161 719893706 /nfs/dbraw/zinc/89/37/06/719893706.db2.gz AAJMJLIXSNTEFR-UHFFFAOYSA-N 1 1 391.968 4.285 20 0 GIADMO CCc1cc2c(ccnc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)o1 ZINC001164705921 719907290 /nfs/dbraw/zinc/90/72/90/719907290.db2.gz FVCSPIFTASNOOX-UHFFFAOYSA-N 1 1 397.544 4.323 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3ccccc31)C2 ZINC001164809342 720065806 /nfs/dbraw/zinc/06/58/06/720065806.db2.gz JPHVMXLQUAAGPF-HTAPYJJXSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc3ccc(Cl)cc31)C2 ZINC001164806437 720099781 /nfs/dbraw/zinc/09/97/81/720099781.db2.gz CTUCJTWVFGELMA-AVRDEDQJSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164806959 720100891 /nfs/dbraw/zinc/10/08/91/720100891.db2.gz ABYSBUIPWDOCBN-XMSQKQJNSA-N 1 1 385.939 4.073 20 0 GIADMO COc1cccc2c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164721185 720330648 /nfs/dbraw/zinc/33/06/48/720330648.db2.gz BAFWXKCRFKXMLO-QZTJIDSGSA-N 1 1 394.906 4.145 20 0 GIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723631 720337984 /nfs/dbraw/zinc/33/79/84/720337984.db2.gz IFSCLUDQBQAJOM-LSDHHAIUSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723631 720337995 /nfs/dbraw/zinc/33/79/95/720337995.db2.gz IFSCLUDQBQAJOM-LSDHHAIUSA-N 1 1 399.272 4.182 20 0 GIADMO COc1ccc2c(cc(Cl)nc2N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164726331 720411825 /nfs/dbraw/zinc/41/18/25/720411825.db2.gz BMNILVUSROPDFJ-PMACEKPBSA-N 1 1 394.906 4.145 20 0 GIADMO CC(C)c1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)cc(C(C)(C)C)n1 ZINC001164729321 720456721 /nfs/dbraw/zinc/45/67/21/720456721.db2.gz GYOCSDGEVYTWOO-MOPGFXCFSA-N 1 1 379.552 4.146 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H](O)[C@H]2Cc2ccccc2)nc1 ZINC001164832569 720494114 /nfs/dbraw/zinc/49/41/14/720494114.db2.gz JRUQWUXLEJBVLV-ZLNRFVROSA-N 1 1 379.548 4.201 20 0 GIADMO Cc1cccc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843159 720627138 /nfs/dbraw/zinc/62/71/38/720627138.db2.gz WZTABGTZKNPRJZ-YPAWHYETSA-N 1 1 389.547 4.118 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)ncc1F)CC2 ZINC001164841863 720687810 /nfs/dbraw/zinc/68/78/10/720687810.db2.gz JPWNNJFMHURIFG-KRWDZBQOSA-N 1 1 389.902 4.134 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3occc3n1)CC2 ZINC001164841275 720695971 /nfs/dbraw/zinc/69/59/71/720695971.db2.gz IRJUCPWKGQWINP-LJQANCHMSA-N 1 1 377.488 4.088 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C(C)(C)C)nn1)CC2 ZINC001164837608 720712822 /nfs/dbraw/zinc/71/28/22/720712822.db2.gz FCUPORIWNHERPA-FQEVSTJZSA-N 1 1 394.563 4.034 20 0 GIADMO CCSc1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842314 720724524 /nfs/dbraw/zinc/72/45/24/720724524.db2.gz YDYAZSFLVGYTMC-FQEVSTJZSA-N 1 1 397.588 4.454 20 0 GIADMO Cc1cccc(CN2CC[C@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2=O)c1 ZINC001164851180 720809053 /nfs/dbraw/zinc/80/90/53/720809053.db2.gz KEVSFIKHASEDCJ-HSZRJFAPSA-N 1 1 397.950 4.403 20 0 GIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@H]2c2csc(C)n2)nc1 ZINC001164745454 720865002 /nfs/dbraw/zinc/86/50/02/720865002.db2.gz DPLJJIRKYDWTLP-PMACEKPBSA-N 1 1 386.565 4.361 20 0 GIADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@H]2c2csc(C)n2)nc1 ZINC001164745462 720865160 /nfs/dbraw/zinc/86/51/60/720865160.db2.gz DPLJJIRKYDWTLP-WOJBJXKFSA-N 1 1 386.565 4.361 20 0 GIADMO Cc1cc(C(F)(F)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc(Cl)n1 ZINC001164859934 720924107 /nfs/dbraw/zinc/92/41/07/720924107.db2.gz QOFCHVSJSYBKDJ-AWEZNQCLSA-N 1 1 397.901 4.206 20 0 GIADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)cc(C(C)(C)C)n1)[C@H]2C ZINC001164863423 720994020 /nfs/dbraw/zinc/99/40/20/720994020.db2.gz VIHHSBCXDFKINE-AWEZNQCLSA-N 1 1 390.963 4.045 20 0 GIADMO Cc1ccc(-c2ccc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)nn2)cc1 ZINC001164861605 720998828 /nfs/dbraw/zinc/99/88/28/720998828.db2.gz QAIFVCALDDFUAA-SFHVURJKSA-N 1 1 390.535 4.070 20 0 GIADMO Cc1c(Cl)nc(C(C)C)nc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858806 721017665 /nfs/dbraw/zinc/01/76/65/721017665.db2.gz HEQYWTINHZEJRM-HNNXBMFYSA-N 1 1 390.963 4.180 20 0 GIADMO COc1cc2ccnc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)c2cc1F ZINC001164861041 721018188 /nfs/dbraw/zinc/01/81/88/721018188.db2.gz NDBZEJWURPSLKQ-HNNXBMFYSA-N 1 1 397.498 4.000 20 0 GIADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164773425 721286076 /nfs/dbraw/zinc/28/60/76/721286076.db2.gz ONWGWRKALAIIQH-UHFFFAOYSA-N 1 1 377.866 4.355 20 0 GIADMO FC(F)(c1cccc2c(Cl)nccc21)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164770193 721294154 /nfs/dbraw/zinc/29/41/54/721294154.db2.gz PYYQUGVUASWYLN-UHFFFAOYSA-N 1 1 377.866 4.355 20 0 GIADMO Clc1cc(OCc2ccccc2)cnc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164767992 721295379 /nfs/dbraw/zinc/29/53/79/721295379.db2.gz CRKUXNMPVLJBJG-UHFFFAOYSA-N 1 1 383.923 4.236 20 0 GIADMO FC(F)c1nc2ccc(Cl)cc2c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1 ZINC001164774691 721301733 /nfs/dbraw/zinc/30/17/33/721301733.db2.gz HSCCSAFKTKTYRQ-UHFFFAOYSA-N 1 1 378.854 4.143 20 0 GIADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)nc1 ZINC001164881279 721359123 /nfs/dbraw/zinc/35/91/23/721359123.db2.gz AVORWHIEXZIKPP-AQNXPRMDSA-N 1 1 396.560 4.074 20 0 GIADMO Fc1ccc2c(c1)cc(Cl)nc2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783735 721388984 /nfs/dbraw/zinc/38/89/84/721388984.db2.gz OFSLURVXVIIMFZ-ZIAGYGMSSA-N 1 1 388.899 4.052 20 0 GIADMO Clc1cc(-c2ccccc2)cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785716 721409408 /nfs/dbraw/zinc/40/94/08/721409408.db2.gz NUKDJRYCHDXKTB-QZTJIDSGSA-N 1 1 396.947 4.427 20 0 GIADMO Cc1ccc2c(C)cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2c1C ZINC001164788113 721428598 /nfs/dbraw/zinc/42/85/98/721428598.db2.gz RXTRLEDCVDULNY-HDICACEKSA-N 1 1 378.545 4.185 20 0 GIADMO Cc1ccc2c(C)cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2c1C ZINC001164788113 721428601 /nfs/dbraw/zinc/42/86/01/721428601.db2.gz RXTRLEDCVDULNY-HDICACEKSA-N 1 1 378.545 4.185 20 0 GIADMO FC1(F)CCN(c2cc3ccccc3cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908247 721691931 /nfs/dbraw/zinc/69/19/31/721691931.db2.gz YEJLXXNXARRYLP-QFIPXVFZSA-N 1 1 394.469 4.368 20 0 GIADMO Fc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(Cl)c1 ZINC001164904860 721698151 /nfs/dbraw/zinc/69/81/51/721698151.db2.gz GZMAGHLGCBGVKZ-SFHVURJKSA-N 1 1 396.844 4.007 20 0 GIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CCCN3C(=O)C(C)C)C2)nc1 ZINC001165007399 721727312 /nfs/dbraw/zinc/72/73/12/721727312.db2.gz CKGUMWJLOZOVFC-URXFXBBRSA-N 1 1 398.595 4.246 20 0 GIADMO Cc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(Cl)c1 ZINC001164908447 721746730 /nfs/dbraw/zinc/74/67/30/721746730.db2.gz JDYVNEMXMIIXAG-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(Cl)c1 ZINC001164908447 721746732 /nfs/dbraw/zinc/74/67/32/721746732.db2.gz JDYVNEMXMIIXAG-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1cccc2c1ncnc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908398 721749430 /nfs/dbraw/zinc/74/94/30/721749430.db2.gz HSSLDRVJALPGMS-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1cccc2c1ncnc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908398 721749439 /nfs/dbraw/zinc/74/94/39/721749439.db2.gz HSSLDRVJALPGMS-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c([nH+]1)CCCC3)C2 ZINC001164908922 721752817 /nfs/dbraw/zinc/75/28/17/721752817.db2.gz OLNHKMDSWZDYTM-UHFFFAOYSA-N 1 1 388.515 4.143 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]21 ZINC001165026143 721804426 /nfs/dbraw/zinc/80/44/26/721804426.db2.gz QAIIJDAXDSVWMB-BGWNEDDSSA-N 1 1 399.542 4.276 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4[nH]ccc43)C[C@H]21 ZINC001165027577 721805481 /nfs/dbraw/zinc/80/54/81/721805481.db2.gz WKQGCOUFWGWRKW-QKYXUNIQSA-N 1 1 395.938 4.348 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@@H](F)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165021665 721811436 /nfs/dbraw/zinc/81/14/36/721811436.db2.gz FVIYRXCKYYCAPT-WQZMEWCLSA-N 1 1 388.918 4.331 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@H](F)c3ccnc(Cl)c3)C[C@@H]21 ZINC001165021663 721811599 /nfs/dbraw/zinc/81/15/99/721811599.db2.gz FVIYRXCKYYCAPT-LYSIVYOWSA-N 1 1 388.918 4.331 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4ccsc4cn3)C[C@H]21 ZINC001165026010 721816740 /nfs/dbraw/zinc/81/67/40/721816740.db2.gz OTUIZRXQRSOQDM-DFQSSKMNSA-N 1 1 378.545 4.428 20 0 GIADMO Cc1cc(Cl)c(C)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024896 721817592 /nfs/dbraw/zinc/81/75/92/721817592.db2.gz KZRCTXBZRQBICM-FBBABVLZSA-N 1 1 384.955 4.484 20 0 GIADMO CSCc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027007 721828759 /nfs/dbraw/zinc/82/87/59/721828759.db2.gz QSTZRGFWYFCULN-CEWLAPEOSA-N 1 1 382.577 4.077 20 0 GIADMO CC(C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020642 721829546 /nfs/dbraw/zinc/82/95/46/721829546.db2.gz DAPVTNAJZUSJJT-QXAKKESOSA-N 1 1 399.970 4.385 20 0 GIADMO Cc1cc(C(C)C)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024489 721830578 /nfs/dbraw/zinc/83/05/78/721830578.db2.gz KHIBFWXPXRGTOZ-CZTZKLFOSA-N 1 1 379.552 4.040 20 0 GIADMO Fc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2ccccc12 ZINC001164952149 722018437 /nfs/dbraw/zinc/01/84/37/722018437.db2.gz HZSJTCFEOVAFBU-UHFFFAOYSA-N 1 1 376.479 4.261 20 0 GIADMO Clc1ccnc2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc12 ZINC001164955431 722018857 /nfs/dbraw/zinc/01/88/57/722018857.db2.gz GMMJLQXKXGBVRL-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Cc1ccc(-c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)cc1 ZINC001164955281 722021432 /nfs/dbraw/zinc/02/14/32/722021432.db2.gz DCIFTAFGPPKGMU-UHFFFAOYSA-N 1 1 399.542 4.340 20 0 GIADMO CSc1nc(Cl)ncc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995400 722199680 /nfs/dbraw/zinc/19/96/80/722199680.db2.gz NPIHSEJIQNBMQN-LJQANCHMSA-N 1 1 392.931 4.236 20 0 GIADMO Cc1ccc2nc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)ncc2c1 ZINC001164994489 722201221 /nfs/dbraw/zinc/20/12/21/722201221.db2.gz ICVMTJDZCWJNHI-QHCPKHFHSA-N 1 1 376.479 4.322 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nncc4ccc(F)cc42)C3)c1 ZINC001164994459 722201664 /nfs/dbraw/zinc/20/16/64/722201664.db2.gz HHTNGABELHGKKW-JOCHJYFZSA-N 1 1 380.442 4.153 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nnc(Cl)c4ccoc42)C3)c1 ZINC001164993741 722203930 /nfs/dbraw/zinc/20/39/30/722203930.db2.gz AJWGJUDUHUHALJ-FQEVSTJZSA-N 1 1 386.858 4.260 20 0 GIADMO Cc1csc2cnc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc12 ZINC001164993811 722206600 /nfs/dbraw/zinc/20/66/00/722206600.db2.gz BUMPGSAKZVLUQU-OAQYLSRUSA-N 1 1 382.508 4.384 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ncccc2N(C)C)o1 ZINC000570488143 823045077 /nfs/dbraw/zinc/04/50/77/823045077.db2.gz NBHHYAHMGPLTIJ-UHFFFAOYSA-N 1 1 387.487 4.192 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)c2)cc1 ZINC000458477072 823045184 /nfs/dbraw/zinc/04/51/84/823045184.db2.gz AXAUEOZGFWYLLG-GOSISDBHSA-N 1 1 387.549 4.048 20 0 GIADMO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000570493015 823046177 /nfs/dbraw/zinc/04/61/77/823046177.db2.gz HSUVQEGGJLDUHL-LJQANCHMSA-N 1 1 395.890 4.101 20 0 GIADMO O=c1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c2cc3c(cc2o1)CCC3 ZINC000175815450 823046844 /nfs/dbraw/zinc/04/68/44/823046844.db2.gz VAORSEYMOTZVOU-QUCCMNQESA-N 1 1 395.524 4.431 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)N2CC(C)(CC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000458490970 823047028 /nfs/dbraw/zinc/04/70/28/823047028.db2.gz JMJNOMOOIATNCU-WBVHZDCISA-N 1 1 383.458 4.023 20 0 GIADMO OC[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514912 823048414 /nfs/dbraw/zinc/04/84/14/823048414.db2.gz XTWWEIIPHVXUKF-YLJYHZDGSA-N 1 1 388.914 4.299 20 0 GIADMO COc1ccc(-c2cnc(C[N@H+]3CCC[C@H]3C[C@H](O)c3cccs3)o2)cc1 ZINC000175826741 823049290 /nfs/dbraw/zinc/04/92/90/823049290.db2.gz MTPMABFAAWKEFI-WMZOPIPTSA-N 1 1 384.501 4.500 20 0 GIADMO Cc1cc(=O)oc2cc(OCC[N@H+]3CCC[C@H]3C[C@H](O)c3cccs3)ccc12 ZINC000175832218 823050357 /nfs/dbraw/zinc/05/03/57/823050357.db2.gz DUAZWEAGAIHBAX-LPHOPBHVSA-N 1 1 399.512 4.130 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)CC[N@H+]2C2CC2)c1 ZINC000570535890 823051123 /nfs/dbraw/zinc/05/11/23/823051123.db2.gz BXYGNDVUMUJJIS-ILRDRHFLSA-N 1 1 396.453 4.068 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)[C@H](C)C1 ZINC000120733867 823054513 /nfs/dbraw/zinc/05/45/13/823054513.db2.gz QAGCMYBVUYABGI-UTKZUKDTSA-N 1 1 379.504 4.112 20 0 GIADMO C[C@H](c1ccc(NC(=O)N(C)Cc2cc3ccccc3o2)cc1)[NH+]1CCOCC1 ZINC000175856788 823056304 /nfs/dbraw/zinc/05/63/04/823056304.db2.gz JDBMNYHMVQTNPQ-QGZVFWFLSA-N 1 1 393.487 4.490 20 0 GIADMO Cc1noc([C@H](C)N(C)C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000570580521 823057119 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QMZOOQLOYRNOMM-RDJZCZTQSA-N 1 1 380.529 4.285 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176110196 823123242 /nfs/dbraw/zinc/12/32/42/823123242.db2.gz PTJDIYNVDQAEOP-DYESRHJHSA-N 1 1 389.499 4.433 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)CCCOc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000176115809 823125401 /nfs/dbraw/zinc/12/54/01/823125401.db2.gz URPIPULXYGMLAY-UYAOXDASSA-N 1 1 384.495 4.154 20 0 GIADMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1NC(=O)Nc1ccccc1 ZINC000121145447 823126722 /nfs/dbraw/zinc/12/67/22/823126722.db2.gz IJTCBQZRLOYQDH-UWJYYQICSA-N 1 1 394.519 4.051 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000176120130 823126752 /nfs/dbraw/zinc/12/67/52/823126752.db2.gz QIKURYHJIMNELH-ZQYQINFJSA-N 1 1 384.470 4.238 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)CCCOCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000176120637 823127023 /nfs/dbraw/zinc/12/70/23/823127023.db2.gz OHHHUVNJFCKJST-QPPBQGQZSA-N 1 1 394.559 4.195 20 0 GIADMO COc1ccccc1SCC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000121149541 823127697 /nfs/dbraw/zinc/12/76/97/823127697.db2.gz ARNJVZDDCAJEJR-UHFFFAOYSA-N 1 1 398.572 4.158 20 0 GIADMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1)c1ccc2ccccc2c1 ZINC000571070495 823127816 /nfs/dbraw/zinc/12/78/16/823127816.db2.gz UQTHLBIZNZQHOY-JOCHJYFZSA-N 1 1 384.483 4.111 20 0 GIADMO CCCOc1c(Cl)cc(C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)cc1OC ZINC000121151248 823128073 /nfs/dbraw/zinc/12/80/73/823128073.db2.gz HYXBTEGCBBDCAQ-UHFFFAOYSA-N 1 1 390.911 4.129 20 0 GIADMO CCC[C@@H]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000459103097 823128389 /nfs/dbraw/zinc/12/83/89/823128389.db2.gz BFDAILCZDKWJII-WKDRNLAYSA-N 1 1 386.584 4.322 20 0 GIADMO CCC[C@H]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000459103094 823128431 /nfs/dbraw/zinc/12/84/31/823128431.db2.gz BFDAILCZDKWJII-MXNKGDRCSA-N 1 1 386.584 4.322 20 0 GIADMO CCOc1ccccc1Oc1ccccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000176124638 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1 1 395.594 4.018 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000121171990 823132035 /nfs/dbraw/zinc/13/20/35/823132035.db2.gz DJEOQICVYPSIAA-OAHLLOKOSA-N 1 1 395.594 4.018 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Cc2coc(-c3cccs3)n2)CC[N@H+]1Cc1ccccc1 ZINC000176135210 823132514 /nfs/dbraw/zinc/13/25/14/823132514.db2.gz WLVIPOCRVGLAMF-WMZOPIPTSA-N 1 1 395.528 4.115 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000459131279 823132584 /nfs/dbraw/zinc/13/25/84/823132584.db2.gz GQAWQWSKAFUSQC-DJABAAGCSA-N 1 1 377.960 4.490 20 0 GIADMO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000571117084 823134821 /nfs/dbraw/zinc/13/48/21/823134821.db2.gz KAFLBKBBBMFBFR-YADHBBJMSA-N 1 1 398.522 4.110 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc2ccccc2n1Cc1ccccc1F ZINC000121188899 823135017 /nfs/dbraw/zinc/13/50/17/823135017.db2.gz PDKWCDAFTLQPNB-UTKZUKDTSA-N 1 1 393.506 4.241 20 0 GIADMO 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394.563 4.099 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000121247769 823146937 /nfs/dbraw/zinc/14/69/37/823146937.db2.gz XDVNNPOEUSENMH-YUMQZZPRSA-N 1 1 385.122 4.107 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1 ZINC000176187699 823148236 /nfs/dbraw/zinc/14/82/36/823148236.db2.gz RHDLFKJRNLXWRX-KGLIPLIRSA-N 1 1 385.414 4.104 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000176188984 823148491 /nfs/dbraw/zinc/14/84/91/823148491.db2.gz QCDFXBQUXVSYGN-VIZZQPHQSA-N 1 1 381.426 4.440 20 0 GIADMO CCOc1c(Br)cc(C[N@H+](Cc2ccccn2)C2CC2)cc1OC ZINC000571207864 823148639 /nfs/dbraw/zinc/14/86/39/823148639.db2.gz KMTMDSBBOAQIBZ-UHFFFAOYSA-N 1 1 391.309 4.416 20 0 GIADMO CCOc1c(Br)cc(C[N@@H+](Cc2ccccn2)C2CC2)cc1OC ZINC000571207864 823148643 /nfs/dbraw/zinc/14/86/43/823148643.db2.gz KMTMDSBBOAQIBZ-UHFFFAOYSA-N 1 1 391.309 4.416 20 0 GIADMO Cn1c[nH+]cc1CCCN1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000571222614 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QVKQNPZFDSYEHK-QFIPXVFZSA-N 1 1 395.551 4.067 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccc(F)cc2F)C2CCCC2)C1 ZINC000459258449 823152872 /nfs/dbraw/zinc/15/28/72/823152872.db2.gz JUKYQBUKFOBBBF-INIZCTEOSA-N 1 1 379.495 4.151 20 0 GIADMO O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000176222305 823156366 /nfs/dbraw/zinc/15/63/66/823156366.db2.gz SEMAKHQYCZQXBT-HXUWFJFHSA-N 1 1 388.471 4.217 20 0 GIADMO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CSc3n[nH]c(=S)s3)c2C1 ZINC000176211017 823153767 /nfs/dbraw/zinc/15/37/67/823153767.db2.gz CPHPPHIXRHMRFX-UHFFFAOYSA-N 1 1 394.591 4.293 20 0 GIADMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)CSc3n[nH]c(=S)s3)c2C1 ZINC000176211017 823153771 /nfs/dbraw/zinc/15/37/71/823153771.db2.gz CPHPPHIXRHMRFX-UHFFFAOYSA-N 1 1 394.591 4.293 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)C1 ZINC000459267107 823154168 /nfs/dbraw/zinc/15/41/68/823154168.db2.gz QQULZYMTYXDHRP-IBGZPJMESA-N 1 1 392.547 4.155 20 0 GIADMO CC(=O)NC[C@H]1CCC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459287690 823156544 /nfs/dbraw/zinc/15/65/44/823156544.db2.gz ZMJLKPLWXCNQRM-YNCGVASMSA-N 1 1 378.516 4.127 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000459275069 823155020 /nfs/dbraw/zinc/15/50/20/823155020.db2.gz ZZWIKKJLXLYKNI-OAHLLOKOSA-N 1 1 383.458 4.111 20 0 GIADMO CC(C)[N@H+](Cc1cnc(C2CC2)nc1)C[C@H](O)COc1cccc2ccccc21 ZINC000459303696 823158529 /nfs/dbraw/zinc/15/85/29/823158529.db2.gz XYRABEYHNRKILW-NRFANRHFSA-N 1 1 391.515 4.158 20 0 GIADMO O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](CCc2cccs2)CC1 ZINC000056520990 823161283 /nfs/dbraw/zinc/16/12/83/823161283.db2.gz JPNVVFXFOLYVNC-UHFFFAOYSA-N 1 1 383.439 4.159 20 0 GIADMO CCC[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1)C1CCCC1 ZINC000459314764 823159938 /nfs/dbraw/zinc/15/99/38/823159938.db2.gz KWASQBSHFYPCOK-IEBWSBKVSA-N 1 1 392.613 4.274 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(F)c(Cl)c2)[C@@H]1c1cccs1 ZINC000176237867 823160514 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4.366 20 0 GIADMO C[C@@H](O)C[N@@H+](C)C1CCN(C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341417 823165536 /nfs/dbraw/zinc/16/55/36/823165536.db2.gz WFDAXRYMRIACQZ-VHTFYLNKSA-N 1 1 394.559 4.056 20 0 GIADMO COc1ccc([C@@H](C)CC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000176268353 823168015 /nfs/dbraw/zinc/16/80/15/823168015.db2.gz RJVKGWUNJGGLDX-ZWKOTPCHSA-N 1 1 382.504 4.221 20 0 GIADMO Fc1ccc([C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ncc[nH]2)cc1 ZINC000187995765 823168847 /nfs/dbraw/zinc/16/88/47/823168847.db2.gz SAABWGJBJIGQNT-GLCCWIKHSA-N 1 1 390.506 4.423 20 0 GIADMO CO[C@H](C)C(=O)Nc1cccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000571349591 823169165 /nfs/dbraw/zinc/16/91/65/823169165.db2.gz TZTBIJPQSUDJME-JBYIUTFZSA-N 1 1 381.520 4.125 20 0 GIADMO CCn1c(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nc2ccccc21 ZINC000571365544 823171937 /nfs/dbraw/zinc/17/19/37/823171937.db2.gz OQZGWSHYMAZXQP-HNNXBMFYSA-N 1 1 390.409 4.123 20 0 GIADMO CCn1c(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)nc2ccccc21 ZINC000571365544 823171940 /nfs/dbraw/zinc/17/19/40/823171940.db2.gz OQZGWSHYMAZXQP-HNNXBMFYSA-N 1 1 390.409 4.123 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000459359976 823171290 /nfs/dbraw/zinc/17/12/90/823171290.db2.gz CRTZVAHZGHNBFJ-UHFFFAOYSA-N 1 1 396.438 4.208 20 0 GIADMO CCN(CC)C(=O)C1([NH2+]Cc2csc(-c3ccc(C)o3)n2)CCCCC1 ZINC000571371446 823173345 /nfs/dbraw/zinc/17/33/45/823173345.db2.gz OPKOHPSIWNLUMM-UHFFFAOYSA-N 1 1 375.538 4.372 20 0 GIADMO O=C(CCN1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000571391575 823176439 /nfs/dbraw/zinc/17/64/39/823176439.db2.gz FZPZYXBEDNUASF-GOSISDBHSA-N 1 1 377.960 4.257 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459375901 823176541 /nfs/dbraw/zinc/17/65/41/823176541.db2.gz KRFVDESCOLAKIE-IBGZPJMESA-N 1 1 381.568 4.414 20 0 GIADMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459383611 823178854 /nfs/dbraw/zinc/17/88/54/823178854.db2.gz XBROVFIWQAVPSY-QGZVFWFLSA-N 1 1 396.535 4.224 20 0 GIADMO CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000188079628 823183066 /nfs/dbraw/zinc/18/30/66/823183066.db2.gz KBUBBQGEDMLANP-QGZVFWFLSA-N 1 1 393.531 4.115 20 0 GIADMO C[C@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@@H+]1CCCC[C@H]1C ZINC000459384226 823179132 /nfs/dbraw/zinc/17/91/32/823179132.db2.gz YVJBENAPPVHVSA-RTBURBONSA-N 1 1 381.568 4.413 20 0 GIADMO C[C@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)[N@H+]1CCCC[C@H]1C ZINC000459384226 823179138 /nfs/dbraw/zinc/17/91/38/823179138.db2.gz YVJBENAPPVHVSA-RTBURBONSA-N 1 1 381.568 4.413 20 0 GIADMO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2Br)cc1OC ZINC000459387238 823180258 /nfs/dbraw/zinc/18/02/58/823180258.db2.gz KDQGQFLEICEKPR-LBPRGKRZSA-N 1 1 380.282 4.413 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(-c2ccccc2)c(C)c1 ZINC000188062515 823180378 /nfs/dbraw/zinc/18/03/78/823180378.db2.gz AMDKASOZAPJPIO-UHFFFAOYSA-N 1 1 376.504 4.399 20 0 GIADMO CC(C)n1cnnc1-c1ccccc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000176317899 823180846 /nfs/dbraw/zinc/18/08/46/823180846.db2.gz JEFQEGROGRMWDR-UHFFFAOYSA-N 1 1 396.539 4.008 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000056617649 823181826 /nfs/dbraw/zinc/18/18/26/823181826.db2.gz AODQVTZRPLZCTE-UHFFFAOYSA-N 1 1 386.540 4.073 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+]Cc2csc([C@@H](C)OC)n2)[C@H]1Sc1ccccc1 ZINC000459418614 823188620 /nfs/dbraw/zinc/18/86/20/823188620.db2.gz DKDHNQKHZJBHNP-BVPBIZIASA-N 1 1 378.563 4.278 20 0 GIADMO C[N@@H+]1CC[C@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466599 823187102 /nfs/dbraw/zinc/18/71/02/823187102.db2.gz BUINKQLJNWEWIH-HJOGWXRNSA-N 1 1 387.527 4.015 20 0 GIADMO C[N@H+]1CC[C@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)C[C@H]1c1ccccc1 ZINC000571466599 823187106 /nfs/dbraw/zinc/18/71/06/823187106.db2.gz BUINKQLJNWEWIH-HJOGWXRNSA-N 1 1 387.527 4.015 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2CCc3cccc(Cl)c3C2)cc1)[NH+]1CCOCC1 ZINC000459413318 823187277 /nfs/dbraw/zinc/18/72/77/823187277.db2.gz QVVPKQLXYUJVLB-MRXNPFEDSA-N 1 1 399.922 4.323 20 0 GIADMO Clc1cc(Br)cc(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000459416494 823188070 /nfs/dbraw/zinc/18/80/70/823188070.db2.gz XZIXWADODFUUQF-UHFFFAOYSA-N 1 1 376.747 4.201 20 0 GIADMO Clc1cc(Br)cc(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000459416494 823188073 /nfs/dbraw/zinc/18/80/73/823188073.db2.gz XZIXWADODFUUQF-UHFFFAOYSA-N 1 1 376.747 4.201 20 0 GIADMO C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000459417239 823188228 /nfs/dbraw/zinc/18/82/28/823188228.db2.gz VZABKAOTIBOPLW-MSOLQXFVSA-N 1 1 399.510 4.314 20 0 GIADMO Oc1cccc(C[NH2+]Cc2ccccc2N2CCCCC2)c1Br ZINC000459455036 823195473 /nfs/dbraw/zinc/19/54/73/823195473.db2.gz FWWMQCOBVLQNEY-UHFFFAOYSA-N 1 1 375.310 4.435 20 0 GIADMO CCC1(CC)Oc2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2O1 ZINC000188127733 823190638 /nfs/dbraw/zinc/19/06/38/823190638.db2.gz NZYFVHFDAGENML-QFBILLFUSA-N 1 1 399.535 4.455 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1cccs1 ZINC000121494001 823194245 /nfs/dbraw/zinc/19/42/45/823194245.db2.gz NCDWOOQZMXKCRQ-UHFFFAOYSA-N 1 1 389.265 4.249 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1cccs1 ZINC000121494001 823194248 /nfs/dbraw/zinc/19/42/48/823194248.db2.gz NCDWOOQZMXKCRQ-UHFFFAOYSA-N 1 1 389.265 4.249 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccccc2Oc2ccncc2)C1 ZINC000571532059 823196769 /nfs/dbraw/zinc/19/67/69/823196769.db2.gz PLWTUIMUDOUXPB-ICSRJNTNSA-N 1 1 387.483 4.439 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)CCN3)C[N@H+]1Cc1ccccc1 ZINC000571533635 823197147 /nfs/dbraw/zinc/19/71/47/823197147.db2.gz AJCFDCRZTZCQBX-MJGOQNOKSA-N 1 1 378.520 4.077 20 0 GIADMO Fc1ccc([C@H]([NH2+]CCOc2ccc(Br)cc2)c2ncc[nH]2)cc1 ZINC000188173931 823197939 /nfs/dbraw/zinc/19/79/39/823197939.db2.gz APQFPDVZTRSIAR-KRWDZBQOSA-N 1 1 390.256 4.069 20 0 GIADMO C[C@H]1CN(CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545047 823198641 /nfs/dbraw/zinc/19/86/41/823198641.db2.gz NURBCKLCEVIHIU-KXBFYZLASA-N 1 1 386.458 4.127 20 0 GIADMO COc1cc(OC)cc([C@@H]([NH2+]C2CC(C)(c3ccccc3)C2)c2nccn2C)c1 ZINC000459470090 823199259 /nfs/dbraw/zinc/19/92/59/823199259.db2.gz SZWVDCMALPJRTR-HWDGFJGFSA-N 1 1 391.515 4.237 20 0 GIADMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)sc2C1 ZINC000571558886 823200168 /nfs/dbraw/zinc/20/01/68/823200168.db2.gz FZRLPXSXRHNFIV-KGLIPLIRSA-N 1 1 375.925 4.305 20 0 GIADMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)sc2C1 ZINC000571558886 823200173 /nfs/dbraw/zinc/20/01/73/823200173.db2.gz FZRLPXSXRHNFIV-KGLIPLIRSA-N 1 1 375.925 4.305 20 0 GIADMO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc(-c3ccccc3)no2)[C@H]1Sc1ccccc1 ZINC000459476208 823200575 /nfs/dbraw/zinc/20/05/75/823200575.db2.gz HAQWLBOPCMXOMG-QWFCFKBJSA-N 1 1 381.501 4.165 20 0 GIADMO CC(C)Cn1ncnc1C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188189393 823200655 /nfs/dbraw/zinc/20/06/55/823200655.db2.gz LWPMMDXLUWWYFL-QGZVFWFLSA-N 1 1 395.320 4.467 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCO1 ZINC000459482245 823201658 /nfs/dbraw/zinc/20/16/58/823201658.db2.gz LNULBVHDTJUIGZ-RVSNTGDXSA-N 1 1 398.522 4.403 20 0 GIADMO COc1ccc(NC(=O)C[N@H+](C)C2c3ccccc3-c3ccccc32)c(OC)c1 ZINC000176434727 823206955 /nfs/dbraw/zinc/20/69/55/823206955.db2.gz RXOXZYJIYMYEOD-UHFFFAOYSA-N 1 1 388.467 4.344 20 0 GIADMO COc1ccc(NC(=O)C[N@@H+](C)C2c3ccccc3-c3ccccc32)c(OC)c1 ZINC000176434727 823206960 /nfs/dbraw/zinc/20/69/60/823206960.db2.gz RXOXZYJIYMYEOD-UHFFFAOYSA-N 1 1 388.467 4.344 20 0 GIADMO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571604689 823206925 /nfs/dbraw/zinc/20/69/25/823206925.db2.gz YGUSXWVTQJXKIH-FHJLPGHOSA-N 1 1 396.556 4.270 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C1)CC(F)(F)F ZINC000176415221 823203686 /nfs/dbraw/zinc/20/36/86/823203686.db2.gz BTUGXBVVDVXBHS-MRXNPFEDSA-N 1 1 381.442 4.356 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)s1 ZINC000176421989 823204738 /nfs/dbraw/zinc/20/47/38/823204738.db2.gz XDLNLGRWGVVNCG-DOTOQJQBSA-N 1 1 386.565 4.386 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)s1 ZINC000176421948 823204799 /nfs/dbraw/zinc/20/47/99/823204799.db2.gz OKCBANYELDOBAE-DOTOQJQBSA-N 1 1 386.565 4.244 20 0 GIADMO C[C@H](c1ccccn1)[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459500636 823205340 /nfs/dbraw/zinc/20/53/40/823205340.db2.gz DPNPUECAMHMOLL-GOSISDBHSA-N 1 1 384.955 4.083 20 0 GIADMO Oc1cccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c1Br ZINC000459501575 823205809 /nfs/dbraw/zinc/20/58/09/823205809.db2.gz FKHWRYHRFWLDRM-UHFFFAOYSA-N 1 1 394.284 4.475 20 0 GIADMO Oc1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c1Br ZINC000459501575 823205811 /nfs/dbraw/zinc/20/58/11/823205811.db2.gz FKHWRYHRFWLDRM-UHFFFAOYSA-N 1 1 394.284 4.475 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2Br)OCCO3)cc1F ZINC000121567172 823207203 /nfs/dbraw/zinc/20/72/03/823207203.db2.gz RRTLWLNGWNJRKW-LLVKDONJSA-N 1 1 396.256 4.219 20 0 GIADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459509724 823207736 /nfs/dbraw/zinc/20/77/36/823207736.db2.gz LFYRSUXXHGMVCD-PWYGHMFVSA-N 1 1 394.559 4.056 20 0 GIADMO O=C1[C@@H]([NH+]2CCC3(CC2)OCCc2ccccc23)CCN1c1ccccc1Cl ZINC000459519426 823209875 /nfs/dbraw/zinc/20/98/75/823209875.db2.gz JWXGSUJIJAYXJG-NRFANRHFSA-N 1 1 396.918 4.009 20 0 GIADMO COCCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000571623513 823210900 /nfs/dbraw/zinc/21/09/00/823210900.db2.gz BKYZZFINPNIGCJ-PXNSSMCTSA-N 1 1 383.488 4.054 20 0 GIADMO Cc1cnccc1NC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000121583528 823211068 /nfs/dbraw/zinc/21/10/68/823211068.db2.gz FONOZAQALHWKJO-UHFFFAOYSA-N 1 1 392.425 4.195 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](CCCN3CCCC3=O)C2)n1 ZINC000571626569 823211251 /nfs/dbraw/zinc/21/12/51/823211251.db2.gz YYTOWZAEJFQIKA-KRWDZBQOSA-N 1 1 399.560 4.011 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(-c3nncs3)cc2)C1 ZINC000459548962 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4.432 20 0 GIADMO CS(=O)(=O)[C@H]1CCC[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459535839 823214371 /nfs/dbraw/zinc/21/43/71/823214371.db2.gz SFFVNJOVFUJDKF-LKYAVPRHSA-N 1 1 399.556 4.178 20 0 GIADMO CS(=O)(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459535839 823214379 /nfs/dbraw/zinc/21/43/79/823214379.db2.gz SFFVNJOVFUJDKF-LKYAVPRHSA-N 1 1 399.556 4.178 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)c3ccccc3)n2C2CC2)C1 ZINC000571648822 823214416 /nfs/dbraw/zinc/21/44/16/823214416.db2.gz JGHTZYAMFVHPJA-GOSISDBHSA-N 1 1 381.568 4.107 20 0 GIADMO CC(C)[C@H](Oc1ccc(Cl)cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000571650114 823214574 /nfs/dbraw/zinc/21/45/74/823214574.db2.gz JJOGZSVJPOJECJ-ZWOKBUDYSA-N 1 1 391.899 4.425 20 0 GIADMO CC(C)[C@H](Oc1ccc(Cl)cc1)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000571650114 823214579 /nfs/dbraw/zinc/21/45/79/823214579.db2.gz JJOGZSVJPOJECJ-ZWOKBUDYSA-N 1 1 391.899 4.425 20 0 GIADMO CCOc1cc(C[N@@H+](Cc2cccnc2)C(C)C)cc(Br)c1O ZINC000459549659 823217766 /nfs/dbraw/zinc/21/77/66/823217766.db2.gz FYVOJZHWEHOBPP-UHFFFAOYSA-N 1 1 379.298 4.359 20 0 GIADMO CC(C)c1csc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000571690940 823219461 /nfs/dbraw/zinc/21/94/61/823219461.db2.gz PTJURCLIJFAWTD-ZWKOTPCHSA-N 1 1 384.549 4.252 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559546 823220043 /nfs/dbraw/zinc/22/00/43/823220043.db2.gz KSBOIFDXIGPYCX-RBZFPXEDSA-N 1 1 391.512 4.459 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559546 823220044 /nfs/dbraw/zinc/22/00/44/823220044.db2.gz KSBOIFDXIGPYCX-RBZFPXEDSA-N 1 1 391.512 4.459 20 0 GIADMO CCO[C@H](C)c1nc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000409446610 823220908 /nfs/dbraw/zinc/22/09/08/823220908.db2.gz IJVURDMVCRPVIN-MISYRCLQSA-N 1 1 385.577 4.195 20 0 GIADMO CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000056847992 823223102 /nfs/dbraw/zinc/22/31/02/823223102.db2.gz DIZPIAUHYIEGJV-AZUAARDMSA-N 1 1 385.552 4.038 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CCCc3ccc(F)cc3)C2)s1 ZINC000571701031 823221746 /nfs/dbraw/zinc/22/17/46/823221746.db2.gz RERWMTAHSUDBFF-IBGZPJMESA-N 1 1 388.552 4.499 20 0 GIADMO CC(C)Oc1ccc(-c2nc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cs2)cc1 ZINC000409453273 823222161 /nfs/dbraw/zinc/22/21/61/823222161.db2.gz SGAJFSJCPJAEQX-GOSISDBHSA-N 1 1 399.516 4.223 20 0 GIADMO CCOc1cc(C[NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)cc(Br)c1O ZINC000459568413 823222253 /nfs/dbraw/zinc/22/22/53/823222253.db2.gz WVTNYTPWUBZMSU-BMLIUANNSA-N 1 1 396.256 4.304 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000409454678 823222504 /nfs/dbraw/zinc/22/25/04/823222504.db2.gz SYDCFOGOAXNCLW-HNAYVOBHSA-N 1 1 379.891 4.454 20 0 GIADMO Cc1[nH+]cn(-c2ccc(NCc3ccccc3N3CCO[C@H](C)C3)cc2)c1C ZINC000459554364 823219203 /nfs/dbraw/zinc/21/92/03/823219203.db2.gz DWPCJCNDHQOFID-QGZVFWFLSA-N 1 1 376.504 4.326 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000571689463 823219281 /nfs/dbraw/zinc/21/92/81/823219281.db2.gz SXKWEGLCBQSTJW-XMMPIXPASA-N 1 1 376.475 4.315 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1F ZINC000409456942 823223294 /nfs/dbraw/zinc/22/32/94/823223294.db2.gz IRUBXELRTRFWBC-OAHLLOKOSA-N 1 1 383.492 4.425 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409462140 823225072 /nfs/dbraw/zinc/22/50/72/823225072.db2.gz CLIAHPAGCCBDPJ-MJEZEWASSA-N 1 1 396.934 4.041 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccnc(Oc3ccccc3)c2)CC1 ZINC000056848329 823223368 /nfs/dbraw/zinc/22/33/68/823223368.db2.gz ANVRWRAGCOPNKZ-UHFFFAOYSA-N 1 1 396.535 4.136 20 0 GIADMO CC[S@](=O)c1ccccc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000121698083 823232769 /nfs/dbraw/zinc/23/27/69/823232769.db2.gz SXPKNTDIDHNSQB-XDBZFTIUSA-N 1 1 398.572 4.119 20 0 GIADMO C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000409477019 823229578 /nfs/dbraw/zinc/22/95/78/823229578.db2.gz VCHFLMCFVOJOQL-FZMZJTMJSA-N 1 1 387.332 4.486 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cs1)c1ccc(C)c(C)c1 ZINC000571755911 823230552 /nfs/dbraw/zinc/23/05/52/823230552.db2.gz JIIXREDTZAJUCT-PMACEKPBSA-N 1 1 385.533 4.102 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cs1)c1ccc(C)c(C)c1 ZINC000571755913 823230695 /nfs/dbraw/zinc/23/06/95/823230695.db2.gz JIIXREDTZAJUCT-VQTJNVASSA-N 1 1 385.533 4.102 20 0 GIADMO CCC[C@@H](C)N1C[C@@H](C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1=O ZINC000056908363 823231242 /nfs/dbraw/zinc/23/12/42/823231242.db2.gz BTAGDCWBQLQUKO-MJGOQNOKSA-N 1 1 396.535 4.030 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000176540854 823232631 /nfs/dbraw/zinc/23/26/31/823232631.db2.gz XMGWKBNKTLAEMM-HNNXBMFYSA-N 1 1 383.521 4.156 20 0 GIADMO COc1ccccc1N1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000409491543 823233774 /nfs/dbraw/zinc/23/37/74/823233774.db2.gz 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OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000571795907 823235450 /nfs/dbraw/zinc/23/54/50/823235450.db2.gz BIOQFPCXQVPMGL-JOCHJYFZSA-N 1 1 384.882 4.454 20 0 GIADMO CC(C)N(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)c1ccccc1 ZINC000459640469 823235478 /nfs/dbraw/zinc/23/54/78/823235478.db2.gz LEPSUJRHWULDJG-GOSISDBHSA-N 1 1 398.469 4.109 20 0 GIADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1csc(Br)c1 ZINC000121721067 823237107 /nfs/dbraw/zinc/23/71/07/823237107.db2.gz BRSHYPRMTPHWTH-ZBFHGGJFSA-N 1 1 391.334 4.267 20 0 GIADMO C[C@H](c1ccc(NC(=O)NCC2CC(c3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000571823007 823240103 /nfs/dbraw/zinc/24/01/03/823240103.db2.gz NTSNLSGGNSHKIK-FLPIEVNYSA-N 1 1 393.531 4.395 20 0 GIADMO COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459653860 823240441 /nfs/dbraw/zinc/24/04/41/823240441.db2.gz DQHSTVQKDZIESB-UKRRQHHQSA-N 1 1 389.414 4.117 20 0 GIADMO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000459657477 823242108 /nfs/dbraw/zinc/24/21/08/823242108.db2.gz WYMUMJLNBNEHEY-SFHVURJKSA-N 1 1 393.453 4.268 20 0 GIADMO Cc1nc2cc(C(=O)NCC[N@H+](C)C3CCCC3)ccc2n1Cc1ccsc1 ZINC000409528774 823242285 /nfs/dbraw/zinc/24/22/85/823242285.db2.gz JIPGMNFYIJVXJP-UHFFFAOYSA-N 1 1 396.560 4.059 20 0 GIADMO Brc1cc(Br)cc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000571841566 823243406 /nfs/dbraw/zinc/24/34/06/823243406.db2.gz VGJMTKBZGNQVNG-GFCCVEGCSA-N 1 1 399.130 4.314 20 0 GIADMO Brc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000571841566 823243407 /nfs/dbraw/zinc/24/34/07/823243407.db2.gz VGJMTKBZGNQVNG-GFCCVEGCSA-N 1 1 399.130 4.314 20 0 GIADMO Brc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000571841566 823243409 /nfs/dbraw/zinc/24/34/09/823243409.db2.gz VGJMTKBZGNQVNG-GFCCVEGCSA-N 1 1 399.130 4.314 20 0 GIADMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000571842800 823243706 /nfs/dbraw/zinc/24/37/06/823243706.db2.gz XXSGNEFDWKQFAF-IBGZPJMESA-N 1 1 389.421 4.203 20 0 GIADMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000571842800 823243708 /nfs/dbraw/zinc/24/37/08/823243708.db2.gz XXSGNEFDWKQFAF-IBGZPJMESA-N 1 1 389.421 4.203 20 0 GIADMO Fc1ccc(-n2nc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c3c2CCC3)cc1 ZINC000571844058 823243943 /nfs/dbraw/zinc/24/39/43/823243943.db2.gz ZWTJQEGYZVGYLL-FCHUYYIVSA-N 1 1 381.495 4.034 20 0 GIADMO Fc1ccc(-n2nc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c3c2CCC3)cc1 ZINC000571844058 823243950 /nfs/dbraw/zinc/24/39/50/823243950.db2.gz ZWTJQEGYZVGYLL-FCHUYYIVSA-N 1 1 381.495 4.034 20 0 GIADMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1SC ZINC000459664272 823244838 /nfs/dbraw/zinc/24/48/38/823244838.db2.gz FSKBQJATNVCFIT-QAPCUYQASA-N 1 1 385.533 4.202 20 0 GIADMO CC(C)(C)c1ncsc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000176604143 823246410 /nfs/dbraw/zinc/24/64/10/823246410.db2.gz JFYUTVNJDGAHND-UHFFFAOYSA-N 1 1 393.503 4.113 20 0 GIADMO c1csc(-c2ncc(C[N@H+]3CCC[C@@H](c4nnc5ccccn54)C3)s2)c1 ZINC000121778402 823248880 /nfs/dbraw/zinc/24/88/80/823248880.db2.gz CWQUTBGHBJPOFI-CQSZACIVSA-N 1 1 381.530 4.294 20 0 GIADMO c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000121782175 823250001 /nfs/dbraw/zinc/25/00/01/823250001.db2.gz MLLQXZLUSNMDCT-NRFANRHFSA-N 1 1 399.498 4.083 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)Cc2ccc(C(C)C)cc2)cn1 ZINC000057127139 823251939 /nfs/dbraw/zinc/25/19/39/823251939.db2.gz NXLCOLXIYJUUKF-UHFFFAOYSA-N 1 1 377.492 4.041 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cn1 ZINC000057127221 823251953 /nfs/dbraw/zinc/25/19/53/823251953.db2.gz VYCYPDMRRIGOTF-FQEVSTJZSA-N 1 1 377.492 4.162 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CSc3ccc(F)cc3)C2)s1 ZINC000571904887 823252137 /nfs/dbraw/zinc/25/21/37/823252137.db2.gz RNJVMZMVWNONOT-INIZCTEOSA-N 1 1 392.565 4.268 20 0 GIADMO C[N@@H+]1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000057131235 823253058 /nfs/dbraw/zinc/25/30/58/823253058.db2.gz UMPRWIULHYQDHJ-OALUTQOASA-N 1 1 391.437 4.378 20 0 GIADMO C[N@H+]1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000057131235 823253064 /nfs/dbraw/zinc/25/30/64/823253064.db2.gz UMPRWIULHYQDHJ-OALUTQOASA-N 1 1 391.437 4.378 20 0 GIADMO CCOC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000459706723 823254176 /nfs/dbraw/zinc/25/41/76/823254176.db2.gz IYQJTVRFMAGFJH-INIZCTEOSA-N 1 1 376.522 4.218 20 0 GIADMO CCOC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000459706723 823254181 /nfs/dbraw/zinc/25/41/81/823254181.db2.gz IYQJTVRFMAGFJH-INIZCTEOSA-N 1 1 376.522 4.218 20 0 GIADMO CN(C(=O)c1ccc(NC/C=C/c2ccc(F)c(F)c2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000571923939 823255008 /nfs/dbraw/zinc/25/50/08/823255008.db2.gz HMURXWPJFNTDKK-HQMUEHRGSA-N 1 1 399.485 4.256 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)o1 ZINC000459729916 823257929 /nfs/dbraw/zinc/25/79/29/823257929.db2.gz SDFHEPXSCDAWOI-ZBFHGGJFSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)o1 ZINC000459729916 823257932 /nfs/dbraw/zinc/25/79/32/823257932.db2.gz SDFHEPXSCDAWOI-ZBFHGGJFSA-N 1 1 389.293 4.105 20 0 GIADMO COc1ccccc1[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000121813813 823256679 /nfs/dbraw/zinc/25/66/79/823256679.db2.gz RBADUCUKKIBVCW-QFIPXVFZSA-N 1 1 392.503 4.021 20 0 GIADMO Cc1cccc2nc(C3CCN(C(=O)NC[C@H]4CCC[N@H+](C(C)C)C4)CC3)oc21 ZINC000188538761 823259615 /nfs/dbraw/zinc/25/96/15/823259615.db2.gz BSEQVEYOGMEGKS-GOSISDBHSA-N 1 1 398.551 4.146 20 0 GIADMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)nnn1-c1ccc(F)cc1 ZINC000121852350 823263260 /nfs/dbraw/zinc/26/32/60/823263260.db2.gz LQRSYJHBLUWNDF-JKSUJKDBSA-N 1 1 390.466 4.312 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)cs1 ZINC000459761927 823261548 /nfs/dbraw/zinc/26/15/48/823261548.db2.gz NHQNANOAUZWCLQ-VQTJNVASSA-N 1 1 399.560 4.437 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)cs1 ZINC000459761928 823261656 /nfs/dbraw/zinc/26/16/56/823261656.db2.gz NHQNANOAUZWCLQ-WOJBJXKFSA-N 1 1 399.560 4.437 20 0 GIADMO Cc1ccccc1[C@]1(F)CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000409623187 823264303 /nfs/dbraw/zinc/26/43/03/823264303.db2.gz GZCNGRBJGKDOTO-URXFXBBRSA-N 1 1 395.522 4.097 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000409623906 823264589 /nfs/dbraw/zinc/26/45/89/823264589.db2.gz JVUYQPNMMARSRI-OAQYLSRUSA-N 1 1 396.922 4.062 20 0 GIADMO Brc1ccc2oc(C[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000571989371 823266118 /nfs/dbraw/zinc/26/61/18/823266118.db2.gz YIGGOCMXCNNJIM-WBVHZDCISA-N 1 1 377.282 4.124 20 0 GIADMO Brc1ccc2oc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000571989371 823266122 /nfs/dbraw/zinc/26/61/22/823266122.db2.gz YIGGOCMXCNNJIM-WBVHZDCISA-N 1 1 377.282 4.124 20 0 GIADMO Cc1cc(C(=O)[C@@H](C)[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(C)n1Cc1ccco1 ZINC000459810326 823266480 /nfs/dbraw/zinc/26/64/80/823266480.db2.gz TXSHDIVHGSGULL-YFXJRYMSSA-N 1 1 398.547 4.190 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)Nc3cccnc3-n3cc[nH+]c3C)s2)o1 ZINC000057223054 823266484 /nfs/dbraw/zinc/26/64/84/823266484.db2.gz UDMJJJOGSNKBOK-UHFFFAOYSA-N 1 1 379.445 4.161 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[N@H+]1C ZINC000572018698 823269588 /nfs/dbraw/zinc/26/95/88/823269588.db2.gz MRLIJNFTGCNPAV-TZMCWYRMSA-N 1 1 378.929 4.410 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000572040092 823272995 /nfs/dbraw/zinc/27/29/95/823272995.db2.gz WZRWQEMUHBPADN-IBGZPJMESA-N 1 1 378.285 4.015 20 0 GIADMO Cc1nc(-c2cccc(-c3noc(Cn4c[nH+]c5c4CCCC5)n3)c2)cs1 ZINC000572077731 823278780 /nfs/dbraw/zinc/27/87/80/823278780.db2.gz GDKCLWKQDQCJSA-UHFFFAOYSA-N 1 1 377.473 4.292 20 0 GIADMO FC(F)OC[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000572081538 823279911 /nfs/dbraw/zinc/27/99/11/823279911.db2.gz UVPGHDQUIQZSEY-VIFPVBQESA-N 1 1 399.073 4.273 20 0 GIADMO FC(F)OC[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC000572081538 823279916 /nfs/dbraw/zinc/27/99/16/823279916.db2.gz UVPGHDQUIQZSEY-VIFPVBQESA-N 1 1 399.073 4.273 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCC(F)(F)F)Cc2ccccc2)C1 ZINC000188630487 823276395 /nfs/dbraw/zinc/27/63/95/823276395.db2.gz HXKWABSKPYHAKJ-SFHVURJKSA-N 1 1 385.474 4.271 20 0 GIADMO C[C@H]1C[C@H](NC(=O)c2cc(F)c(Cl)nc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176720714 823276820 /nfs/dbraw/zinc/27/68/20/823276820.db2.gz PWPUTPPQYNMOIV-GXTWGEPZSA-N 1 1 396.293 4.310 20 0 GIADMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000572068633 823277361 /nfs/dbraw/zinc/27/73/61/823277361.db2.gz ISFWFCRAOICUDY-CQSZACIVSA-N 1 1 384.467 4.288 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)nc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176723099 823277444 /nfs/dbraw/zinc/27/74/44/823277444.db2.gz YQLBLVKGOKVHES-ZFWWWQNUSA-N 1 1 378.303 4.171 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)nc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176723059 823277487 /nfs/dbraw/zinc/27/74/87/823277487.db2.gz YQLBLVKGOKVHES-UKRRQHHQSA-N 1 1 378.303 4.171 20 0 GIADMO CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176723931 823277896 /nfs/dbraw/zinc/27/78/96/823277896.db2.gz MPEGZWIEQRVYNZ-PGRDOPGGSA-N 1 1 393.531 4.064 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)CSCC(F)(F)F ZINC000460007834 823277978 /nfs/dbraw/zinc/27/79/78/823277978.db2.gz DWFRVNLZAYTXNF-UHFFFAOYSA-N 1 1 397.344 4.434 20 0 GIADMO C[C@H](C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000460027313 823280809 /nfs/dbraw/zinc/28/08/09/823280809.db2.gz QAVNCCJTXDJEHT-XPIZARPCSA-N 1 1 382.529 4.009 20 0 GIADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409680616 823281696 /nfs/dbraw/zinc/28/16/96/823281696.db2.gz XOEULHQPKCTURR-UHFFFAOYSA-N 1 1 394.302 4.147 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)CSc2nccc3ccccc32)CC1 ZINC000572103590 823283879 /nfs/dbraw/zinc/28/38/79/823283879.db2.gz GDKWZQWQIVGHOV-UHFFFAOYSA-N 1 1 393.512 4.100 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460101111 823284607 /nfs/dbraw/zinc/28/46/07/823284607.db2.gz DNUAOCFLRIKDMJ-HRCADAONSA-N 1 1 377.495 4.259 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000460101142 823284681 /nfs/dbraw/zinc/28/46/81/823284681.db2.gz CJWUJUTXEMOBGB-WWPVKYPJSA-N 1 1 377.532 4.220 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCCOc3ccccc32)cc1 ZINC000121957639 823284634 /nfs/dbraw/zinc/28/46/34/823284634.db2.gz GYHZPVYLWMZLLI-KKSFZXQISA-N 1 1 390.487 4.455 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cn2nc(C(F)(F)F)sc2=S)C1 ZINC000188677777 823284719 /nfs/dbraw/zinc/28/47/19/823284719.db2.gz VOVYGYPNZDURQL-CHWSQXEVSA-N 1 1 394.532 4.237 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](SCc3ccccc3)C(C)C)sc2C1 ZINC000409705041 823287003 /nfs/dbraw/zinc/28/70/03/823287003.db2.gz ADKNCZSBAFFFGU-SFHVURJKSA-N 1 1 389.590 4.418 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](SCc3ccccc3)C(C)C)sc2C1 ZINC000409705041 823287010 /nfs/dbraw/zinc/28/70/10/823287010.db2.gz ADKNCZSBAFFFGU-SFHVURJKSA-N 1 1 389.590 4.418 20 0 GIADMO CSc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000460121295 823288550 /nfs/dbraw/zinc/28/85/50/823288550.db2.gz OCFWHOWPDPUPRG-LEWJYISDSA-N 1 1 395.572 4.072 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](Sc3ccccc3)C(C)C)sc2C1 ZINC000409711844 823288555 /nfs/dbraw/zinc/28/85/55/823288555.db2.gz WPKSVLDELUWRRL-KRWDZBQOSA-N 1 1 375.563 4.277 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](Sc3ccccc3)C(C)C)sc2C1 ZINC000409711844 823288557 /nfs/dbraw/zinc/28/85/57/823288557.db2.gz WPKSVLDELUWRRL-KRWDZBQOSA-N 1 1 375.563 4.277 20 0 GIADMO CCCOc1cccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000409712194 823288621 /nfs/dbraw/zinc/28/86/21/823288621.db2.gz RYEDGVKPNBOQDG-SFHVURJKSA-N 1 1 397.519 4.018 20 0 GIADMO CCCOc1cccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000409712194 823288624 /nfs/dbraw/zinc/28/86/24/823288624.db2.gz 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COc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000007664136 817891291 /nfs/dbraw/zinc/89/12/91/817891291.db2.gz GGGPRQZYSLSTPW-AWEZNQCLSA-N 1 1 376.884 4.125 20 0 GIADMO COc1cccc(C[N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000007679399 817893291 /nfs/dbraw/zinc/89/32/91/817893291.db2.gz WPAWDKLPGZKPOE-JOCHJYFZSA-N 1 1 398.503 4.233 20 0 GIADMO COc1cccc(C[N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000007679399 817893297 /nfs/dbraw/zinc/89/32/97/817893297.db2.gz WPAWDKLPGZKPOE-JOCHJYFZSA-N 1 1 398.503 4.233 20 0 GIADMO C[C@H](NC(=O)NCC1CCC(F)(F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409742772 823296849 /nfs/dbraw/zinc/29/68/49/823296849.db2.gz SPIKAUHXXJHHPG-LPHOPBHVSA-N 1 1 379.495 4.022 20 0 GIADMO COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000460150466 823297978 /nfs/dbraw/zinc/29/79/78/823297978.db2.gz MYDJYDMYGNFRNZ-LAUBAEHRSA-N 1 1 388.939 4.269 20 0 GIADMO Clc1cnn([C@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)c1 ZINC000572207828 823300533 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C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1)c1ccccc1Cl ZINC000007915387 817957466 /nfs/dbraw/zinc/95/74/66/817957466.db2.gz XWHCXVRSZLDBMW-CYBMUJFWSA-N 1 1 395.728 4.412 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)Cc3cc(=O)oc4cc(O)ccc34)ccc2c1 ZINC000007926738 817960789 /nfs/dbraw/zinc/96/07/89/817960789.db2.gz KEBJEOAXCWAPMO-UHFFFAOYSA-N 1 1 375.424 4.292 20 0 GIADMO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000572232836 823305514 /nfs/dbraw/zinc/30/55/14/823305514.db2.gz DRKAEPLMRUKGCE-ZIAGYGMSSA-N 1 1 380.414 4.068 20 0 GIADMO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000572232836 823305522 /nfs/dbraw/zinc/30/55/22/823305522.db2.gz DRKAEPLMRUKGCE-ZIAGYGMSSA-N 1 1 380.414 4.068 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460173740 823305600 /nfs/dbraw/zinc/30/56/00/823305600.db2.gz ZPBKVHJZCRKMRC-WNKDZCFJSA-N 1 1 377.495 4.117 20 0 GIADMO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)cc1 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4.067 20 0 GIADMO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460180224 823307563 /nfs/dbraw/zinc/30/75/63/823307563.db2.gz WEULBIXTACBQGA-AVRDEDQJSA-N 1 1 391.563 4.209 20 0 GIADMO CC[N@@H+](CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)C1CCCC1 ZINC000572250524 823307968 /nfs/dbraw/zinc/30/79/68/823307968.db2.gz YJEQSWXADVFKLS-UHFFFAOYSA-N 1 1 389.521 4.030 20 0 GIADMO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000057542630 823308392 /nfs/dbraw/zinc/30/83/92/823308392.db2.gz KIRCWEUPQZJZJE-QGZVFWFLSA-N 1 1 386.540 4.120 20 0 GIADMO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000057553008 823309411 /nfs/dbraw/zinc/30/94/11/823309411.db2.gz GXVPMIRUODGMDP-LJQANCHMSA-N 1 1 385.511 4.106 20 0 GIADMO CCN(c1nnc(-c2cccnc2)n1CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460187849 823310434 /nfs/dbraw/zinc/31/04/34/823310434.db2.gz GXVIKIAVBHQXGR-WIYYLYMNSA-N 1 1 390.535 4.022 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000011468864 818084649 /nfs/dbraw/zinc/08/46/49/818084649.db2.gz AZIWVODYPQRBJX-UHFFFAOYSA-N 1 1 393.462 4.009 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCN(c4ccccc4F)C3)c2C1 ZINC000572294391 823315016 /nfs/dbraw/zinc/31/50/16/823315016.db2.gz MTVJVWDJBBAXAW-SFHVURJKSA-N 1 1 381.495 4.262 20 0 GIADMO CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000188834625 823315252 /nfs/dbraw/zinc/31/52/52/823315252.db2.gz ANGRYXRHBZWFPZ-KRWDZBQOSA-N 1 1 382.552 4.101 20 0 GIADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cccc(Br)c1 ZINC000011752803 818116619 /nfs/dbraw/zinc/11/66/19/818116619.db2.gz KUAGMRDNGYQIDP-HKUYNNGSSA-N 1 1 385.305 4.206 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cccc(C4CCC4)c3)CC2)C[C@H](C)O1 ZINC000409810165 823313244 /nfs/dbraw/zinc/31/32/44/823313244.db2.gz RCOCAIUZMQEWQU-KDURUIRLSA-N 1 1 384.564 4.306 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)Nc2cccc(C(C)=O)c2)[C@@H](C)C2CC2)cc1 ZINC000057601373 823313613 /nfs/dbraw/zinc/31/36/13/823313613.db2.gz 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ZINC000189080003 823353877 /nfs/dbraw/zinc/35/38/77/823353877.db2.gz KAIGMWQMHCNBJM-JOCHJYFZSA-N 1 1 389.547 4.450 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)C1 ZINC000177030579 823354297 /nfs/dbraw/zinc/35/42/97/823354297.db2.gz MEYXBZLWHYCEAP-KRWDZBQOSA-N 1 1 388.556 4.175 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(SC(F)(F)F)cc3)sc2C1 ZINC000021296168 818672382 /nfs/dbraw/zinc/67/23/82/818672382.db2.gz RGSNSIAOCVBWFC-UHFFFAOYSA-N 1 1 387.452 4.385 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(SC(F)(F)F)cc3)sc2C1 ZINC000021296168 818672386 /nfs/dbraw/zinc/67/23/86/818672386.db2.gz RGSNSIAOCVBWFC-UHFFFAOYSA-N 1 1 387.452 4.385 20 0 GIADMO Clc1cnn([C@H]2CC[N@H+](Cc3cc(Br)cc4cccnc43)C2)c1 ZINC000572530085 823355042 /nfs/dbraw/zinc/35/50/42/823355042.db2.gz IPHPJYSOWXZZKO-INIZCTEOSA-N 1 1 391.700 4.294 20 0 GIADMO Clc1cnn([C@H]2CC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)c1 ZINC000572530085 823355049 /nfs/dbraw/zinc/35/50/49/823355049.db2.gz IPHPJYSOWXZZKO-INIZCTEOSA-N 1 1 391.700 4.294 20 0 GIADMO CCCCC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057960387 823350775 /nfs/dbraw/zinc/35/07/75/823350775.db2.gz TWPKNBVHNMEABZ-SFHVURJKSA-N 1 1 387.568 4.475 20 0 GIADMO CC(=O)Nc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C ZINC000177021637 823351250 /nfs/dbraw/zinc/35/12/50/823351250.db2.gz AJYSOISMZXBUDR-UTKZUKDTSA-N 1 1 394.519 4.128 20 0 GIADMO CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000460332403 823356264 /nfs/dbraw/zinc/35/62/64/823356264.db2.gz ZBFFHLSULAJRAJ-YOSAUDMPSA-N 1 1 394.559 4.389 20 0 GIADMO CCC[N@@H+](CCCc1nc(-c2cccs2)no1)CC(=O)Nc1ccccc1C ZINC000058040398 823356960 /nfs/dbraw/zinc/35/69/60/823356960.db2.gz YEMKSSNYZTUTJX-UHFFFAOYSA-N 1 1 398.532 4.390 20 0 GIADMO C[N@@H+](Cc1ccc(Br)cc1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000021641918 818718702 /nfs/dbraw/zinc/71/87/02/818718702.db2.gz IARUQIHDRJNRAN-UHFFFAOYSA-N 1 1 381.657 4.100 20 0 GIADMO C[N@H+](Cc1ccc(Br)cc1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000021641918 818718705 /nfs/dbraw/zinc/71/87/05/818718705.db2.gz IARUQIHDRJNRAN-UHFFFAOYSA-N 1 1 381.657 4.100 20 0 GIADMO O=C([C@@H]1CCCC(F)(F)C1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000409969580 823358119 /nfs/dbraw/zinc/35/81/19/823358119.db2.gz DAFKYZJNZOELTQ-CTNGQTDRSA-N 1 1 376.491 4.327 20 0 GIADMO CC(C)(CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1cccs1 ZINC000460340085 823358392 /nfs/dbraw/zinc/35/83/92/823358392.db2.gz GQSANJZRMMWYRJ-PMACEKPBSA-N 1 1 397.588 4.189 20 0 GIADMO COc1cc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)nc2)ccc1SC ZINC000122471517 823359565 /nfs/dbraw/zinc/35/95/65/823359565.db2.gz HLKLZPBPBWYARG-UHFFFAOYSA-N 1 1 386.439 4.385 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)nc2)ccc1SC ZINC000122471517 823359570 /nfs/dbraw/zinc/35/95/70/823359570.db2.gz HLKLZPBPBWYARG-UHFFFAOYSA-N 1 1 386.439 4.385 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)[NH+](C)C ZINC000058075136 823360050 /nfs/dbraw/zinc/36/00/50/823360050.db2.gz FXFCPJQJIKKZFI-SFHVURJKSA-N 1 1 394.475 4.138 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000572563077 823361539 /nfs/dbraw/zinc/36/15/39/823361539.db2.gz OFNPHZSMWYVGJL-HOCLYGCPSA-N 1 1 377.410 4.307 20 0 GIADMO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c(Br)c1OC ZINC000460348789 823360711 /nfs/dbraw/zinc/36/07/11/823360711.db2.gz GIWLVOYDLNCYAU-CZUORRHYSA-N 1 1 391.309 4.444 20 0 GIADMO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c(Br)c1OC ZINC000460348789 823360718 /nfs/dbraw/zinc/36/07/18/823360718.db2.gz GIWLVOYDLNCYAU-CZUORRHYSA-N 1 1 391.309 4.444 20 0 GIADMO NC(=O)C1CC[NH+](Cn2c(=S)oc(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000021960144 818758966 /nfs/dbraw/zinc/75/89/66/818758966.db2.gz SJYYBUVSVMXQHV-UHFFFAOYSA-N 1 1 393.512 4.299 20 0 GIADMO COc1cc(OC)c(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1Cl ZINC000022062462 818768460 /nfs/dbraw/zinc/76/84/60/818768460.db2.gz INEGPGCMIDKTFJ-SFHVURJKSA-N 1 1 388.895 4.305 20 0 GIADMO Cc1nc(CCCC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cs1 ZINC000177063838 823362596 /nfs/dbraw/zinc/36/25/96/823362596.db2.gz DXWLUVCCUMPCCX-UHFFFAOYSA-N 1 1 397.544 4.316 20 0 GIADMO Cc1nc(CCCC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cs1 ZINC000177063838 823362603 /nfs/dbraw/zinc/36/26/03/823362603.db2.gz DXWLUVCCUMPCCX-UHFFFAOYSA-N 1 1 397.544 4.316 20 0 GIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000409985725 823362907 /nfs/dbraw/zinc/36/29/07/823362907.db2.gz ALXAIJNDPQUWAZ-INIZCTEOSA-N 1 1 384.907 4.033 20 0 GIADMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccc(N(C)C)c(C)c2)CC1 ZINC000058124065 823363344 /nfs/dbraw/zinc/36/33/44/823363344.db2.gz YYJQZHNUNYKMQQ-UHFFFAOYSA-N 1 1 380.536 4.109 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)c(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000177084873 823367234 /nfs/dbraw/zinc/36/72/34/823367234.db2.gz ZDCKTOKVLGNZPN-HIFRSBDPSA-N 1 1 377.410 4.279 20 0 GIADMO Fc1ccc(COC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)cc1 ZINC000189148353 823365161 /nfs/dbraw/zinc/36/51/61/823365161.db2.gz VCDCRRHMLXSSEL-UHFFFAOYSA-N 1 1 385.414 4.196 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000460366957 823365467 /nfs/dbraw/zinc/36/54/67/823365467.db2.gz UGEWPSXHFSBGJH-VGSWGCGISA-N 1 1 375.472 4.188 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC(F)(F)[C@@H](C)C2)c1 ZINC000460372726 823367629 /nfs/dbraw/zinc/36/76/29/823367629.db2.gz ILGAZFMZQMGDHN-KRWDZBQOSA-N 1 1 381.511 4.495 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1nc(-c2ccccc2F)no1)c1ccc2c(c1)OCCO2 ZINC000189153910 823366331 /nfs/dbraw/zinc/36/63/31/823366331.db2.gz XRDMTXXQHNBGEU-HXUWFJFHSA-N 1 1 383.423 4.134 20 0 GIADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000572592276 823366556 /nfs/dbraw/zinc/36/65/56/823366556.db2.gz BNQPSHRMPNNYPH-BQGCOEIASA-N 1 1 385.335 4.336 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc(F)cn2)cc1)C[C@@H]1CCCCO1 ZINC000409999752 823367517 /nfs/dbraw/zinc/36/75/17/823367517.db2.gz QJJVYADOGWIGII-FQEVSTJZSA-N 1 1 385.483 4.253 20 0 GIADMO c1csc(CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022669148 818839328 /nfs/dbraw/zinc/83/93/28/818839328.db2.gz HFBKIUNSXBINHK-UHFFFAOYSA-N 1 1 393.556 4.067 20 0 GIADMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000022784271 818860624 /nfs/dbraw/zinc/86/06/24/818860624.db2.gz ASXIAEXKLUHBBX-CYBMUJFWSA-N 1 1 398.359 4.200 20 0 GIADMO Cc1cccc(C)c1NC(=O)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022833555 818865504 /nfs/dbraw/zinc/86/55/04/818865504.db2.gz JLOSILGCKIUGNQ-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO Cc1cccc(C)c1NC(=O)CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000022833555 818865510 /nfs/dbraw/zinc/86/55/10/818865510.db2.gz JLOSILGCKIUGNQ-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO CCc1cccc(CC)c1NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000022849814 818867328 /nfs/dbraw/zinc/86/73/28/818867328.db2.gz YKQROVTWWHMFQG-UHFFFAOYSA-N 1 1 397.538 4.097 20 0 GIADMO CCc1sc(-c2nnc(CN3CC[NH+](Cc4cccc(C)c4)CC3)o2)cc1C ZINC000022919919 818877057 /nfs/dbraw/zinc/87/70/57/818877057.db2.gz DRYDOGSWVCQNMG-UHFFFAOYSA-N 1 1 396.560 4.295 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000189187071 823372549 /nfs/dbraw/zinc/37/25/49/823372549.db2.gz FKPKTFNABDSQGO-NHYWBVRUSA-N 1 1 393.409 4.024 20 0 GIADMO CCN(CC)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000572642217 823373889 /nfs/dbraw/zinc/37/38/89/823373889.db2.gz UIQVRQMYNVTUCF-QFIPXVFZSA-N 1 1 378.564 4.215 20 0 GIADMO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000572642217 823373897 /nfs/dbraw/zinc/37/38/97/823373897.db2.gz UIQVRQMYNVTUCF-QFIPXVFZSA-N 1 1 378.564 4.215 20 0 GIADMO COc1cc(C)c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000572646710 823374514 /nfs/dbraw/zinc/37/45/14/823374514.db2.gz HEMSQILPNVJUFJ-DEOSSOPVSA-N 1 1 380.532 4.110 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2cc(F)ccc2OC)c1 ZINC000189208190 823376386 /nfs/dbraw/zinc/37/63/86/823376386.db2.gz HNUVYEZEECOJFH-UHFFFAOYSA-N 1 1 382.435 4.107 20 0 GIADMO C[N@@H+]1CCc2[nH]c(=NC(=O)c3cc4sc5ccccc5c4s3)sc2C1 ZINC000023609166 818964516 /nfs/dbraw/zinc/96/45/16/818964516.db2.gz UNXMPSIJLCXZNN-UHFFFAOYSA-N 1 1 385.539 4.235 20 0 GIADMO C[N@H+]1CCc2[nH]c(=NC(=O)c3cc4sc5ccccc5c4s3)sc2C1 ZINC000023609166 818964520 /nfs/dbraw/zinc/96/45/20/818964520.db2.gz UNXMPSIJLCXZNN-UHFFFAOYSA-N 1 1 385.539 4.235 20 0 GIADMO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000189219057 823377809 /nfs/dbraw/zinc/37/78/09/823377809.db2.gz SFQWLQZYOMBRPD-OAQYLSRUSA-N 1 1 380.488 4.308 20 0 GIADMO Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2ncnc3sccc32)CC1 ZINC000023887849 818989996 /nfs/dbraw/zinc/98/99/96/818989996.db2.gz GJULKMPALAHOOA-UHFFFAOYSA-N 1 1 381.892 4.220 20 0 GIADMO CC(=O)c1cccc(OC[C@H](O)C[N@H+](Cc2ccc(C(C)C)cc2)C2CC2)c1 ZINC000024101420 819024050 /nfs/dbraw/zinc/02/40/50/819024050.db2.gz KVSBIMCCZAWVKQ-HSZRJFAPSA-N 1 1 381.516 4.417 20 0 GIADMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](Cc2ccc(C(C)C)cc2)C2CC2)c1 ZINC000024101422 819024076 /nfs/dbraw/zinc/02/40/76/819024076.db2.gz KVSBIMCCZAWVKQ-QHCPKHFHSA-N 1 1 381.516 4.417 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cn2c(-c3ccccc3)csc2=S)C1 ZINC000177141554 823380934 /nfs/dbraw/zinc/38/09/34/823380934.db2.gz JIULWGRHTAXENF-INIZCTEOSA-N 1 1 389.590 4.388 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cn2c(-c3ccccc3)csc2=S)C1 ZINC000177141554 823380937 /nfs/dbraw/zinc/38/09/37/823380937.db2.gz JIULWGRHTAXENF-INIZCTEOSA-N 1 1 389.590 4.388 20 0 GIADMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc2cc[nH]c2c1 ZINC000410053293 823380922 /nfs/dbraw/zinc/38/09/22/823380922.db2.gz LZQMEIUDDLSBMF-QFIPXVFZSA-N 1 1 375.516 4.371 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000177146590 823382525 /nfs/dbraw/zinc/38/25/25/823382525.db2.gz LRNYAUWNDYUDHK-KZNAEPCWSA-N 1 1 377.410 4.005 20 0 GIADMO COc1cccc([C@H](C)CC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000177148227 823382921 /nfs/dbraw/zinc/38/29/21/823382921.db2.gz HDNREQVJMDNFQD-GUDVDZBRSA-N 1 1 396.531 4.437 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3CC(C)(c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000410077380 823385200 /nfs/dbraw/zinc/38/52/00/823385200.db2.gz LCROAKWOPWQEHQ-YAGVIBQFSA-N 1 1 392.543 4.146 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3CC(C)(c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000410077380 823385205 /nfs/dbraw/zinc/38/52/05/823385205.db2.gz LCROAKWOPWQEHQ-YAGVIBQFSA-N 1 1 392.543 4.146 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)Sc2ccc(Br)cc2)CC[N@H+]1C ZINC000122673680 823391787 /nfs/dbraw/zinc/39/17/87/823391787.db2.gz BAEWZARZXMDHBS-UKRRQHHQSA-N 1 1 399.398 4.261 20 0 GIADMO C[NH+](C)[C@@H](c1nc(-c2ccc(COCC(F)(F)F)cc2)no1)c1ccccc1 ZINC000572760620 823393795 /nfs/dbraw/zinc/39/37/95/823393795.db2.gz SHYIQOAVQHFCBY-QGZVFWFLSA-N 1 1 391.393 4.467 20 0 GIADMO COc1cccc([C@H](C)C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000410101589 823391973 /nfs/dbraw/zinc/39/19/73/823391973.db2.gz KWSSZZPEHLJBBB-MBSDFSHPSA-N 1 1 394.559 4.388 20 0 GIADMO CCc1ccc(-c2nc(CC(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)cs2)cc1 ZINC000058444153 823392121 /nfs/dbraw/zinc/39/21/21/823392121.db2.gz NOBXAPPPRJGQID-SJORKVTESA-N 1 1 385.577 4.294 20 0 GIADMO Cc1cc(C)n([C@@H](C)CC(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)n1 ZINC000410107448 823393878 /nfs/dbraw/zinc/39/38/78/823393878.db2.gz VINYQFIRSYCTPF-SIKLNZKXSA-N 1 1 396.579 4.040 20 0 GIADMO COC(=O)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc(F)cc1 ZINC000572758360 823393582 /nfs/dbraw/zinc/39/35/82/823393582.db2.gz OZUYUZLGINUOMQ-JTSKRJEESA-N 1 1 384.495 4.062 20 0 GIADMO O=C(NCC1CCC(F)(F)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000410098764 823391043 /nfs/dbraw/zinc/39/10/43/823391043.db2.gz YICZRULKESFQEF-IHWFROFDSA-N 1 1 391.506 4.307 20 0 GIADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc2c(ccc3ccccc23)[nH]1 ZINC000058459221 823394738 /nfs/dbraw/zinc/39/47/38/823394738.db2.gz WGHVEFMMHSVOBO-UHFFFAOYSA-N 1 1 399.494 4.083 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000177195722 823396217 /nfs/dbraw/zinc/39/62/17/823396217.db2.gz VMEBVXSFFARZDF-ZDUSSCGKSA-N 1 1 377.275 4.284 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CC[N@H+]1C ZINC000189341540 823397400 /nfs/dbraw/zinc/39/74/00/823397400.db2.gz RQPZOIXRRUSFKA-WMLDXEAASA-N 1 1 379.932 4.465 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000189341035 823397428 /nfs/dbraw/zinc/39/74/28/823397428.db2.gz XPMQXGSAVMUZDT-UHFFFAOYSA-N 1 1 385.817 4.471 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000189348558 823398880 /nfs/dbraw/zinc/39/88/80/823398880.db2.gz DGLFFANMVNQTAV-OAHLLOKOSA-N 1 1 378.925 4.073 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000058483309 823398070 /nfs/dbraw/zinc/39/80/70/823398070.db2.gz HQQUJOJMGXHOCI-HNAYVOBHSA-N 1 1 395.494 4.229 20 0 GIADMO Clc1cnccc1CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000572783497 823398088 /nfs/dbraw/zinc/39/80/88/823398088.db2.gz SAPMXCORQGKISZ-JTHBVZDNSA-N 1 1 377.919 4.493 20 0 GIADMO Clc1cnccc1C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000572783497 823398094 /nfs/dbraw/zinc/39/80/94/823398094.db2.gz SAPMXCORQGKISZ-JTHBVZDNSA-N 1 1 377.919 4.493 20 0 GIADMO C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000410136259 823399261 /nfs/dbraw/zinc/39/92/61/823399261.db2.gz UZXWOFXFYZOSCD-DNVCBOLYSA-N 1 1 391.437 4.465 20 0 GIADMO C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000410136259 823399267 /nfs/dbraw/zinc/39/92/67/823399267.db2.gz UZXWOFXFYZOSCD-DNVCBOLYSA-N 1 1 391.437 4.465 20 0 GIADMO CCN(CC)C(=O)C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000058524693 823403758 /nfs/dbraw/zinc/40/37/58/823403758.db2.gz OATLFSYWFNYGEJ-UHFFFAOYSA-N 1 1 375.513 4.030 20 0 GIADMO C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000410154588 823403780 /nfs/dbraw/zinc/40/37/80/823403780.db2.gz KXUJFMPHATZXFC-GOSISDBHSA-N 1 1 395.400 4.043 20 0 GIADMO C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000410154588 823403785 /nfs/dbraw/zinc/40/37/85/823403785.db2.gz KXUJFMPHATZXFC-GOSISDBHSA-N 1 1 395.400 4.043 20 0 GIADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000058504919 823401383 /nfs/dbraw/zinc/40/13/83/823401383.db2.gz JNGGTJKRRWQAKY-UHFFFAOYSA-N 1 1 393.314 4.350 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000058504919 823401386 /nfs/dbraw/zinc/40/13/86/823401386.db2.gz JNGGTJKRRWQAKY-UHFFFAOYSA-N 1 1 393.314 4.350 20 0 GIADMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000058525491 823403795 /nfs/dbraw/zinc/40/37/95/823403795.db2.gz XKXKQISUDQOWJL-IBGZPJMESA-N 1 1 386.923 4.062 20 0 GIADMO O=S(=O)(CC[NH+]1CCC(c2cccc3ccccc32)CC1)c1ccccc1 ZINC000058525285 823403825 /nfs/dbraw/zinc/40/38/25/823403825.db2.gz KZRSNEMBJDYGCU-UHFFFAOYSA-N 1 1 379.525 4.493 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000572801887 823401664 /nfs/dbraw/zinc/40/16/64/823401664.db2.gz FHEYVQXOQFTFET-UHFFFAOYSA-N 1 1 387.483 4.354 20 0 GIADMO Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000058505850 823401723 /nfs/dbraw/zinc/40/17/23/823401723.db2.gz YAZBDUXLTJDNJN-FQEVSTJZSA-N 1 1 382.552 4.270 20 0 GIADMO Cc1cccn2c(=O)cc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3F)nc12 ZINC000122729539 823401786 /nfs/dbraw/zinc/40/17/86/823401786.db2.gz PMKILTHUURDNSW-JOCHJYFZSA-N 1 1 387.458 4.216 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2c3ccccc3O[C@H]2C)cc1 ZINC000460479263 823403250 /nfs/dbraw/zinc/40/32/50/823403250.db2.gz AVLVCKBPCMODPR-VFCRVFHLSA-N 1 1 376.460 4.063 20 0 GIADMO COc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000058522774 823403420 /nfs/dbraw/zinc/40/34/20/823403420.db2.gz CSXAGTFSGHLHSP-QGZVFWFLSA-N 1 1 397.519 4.400 20 0 GIADMO CN(C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460482728 823404161 /nfs/dbraw/zinc/40/41/61/823404161.db2.gz IDXLSYUPYQYPCP-WOVMCDHWSA-N 1 1 389.437 4.020 20 0 GIADMO COc1cc(C[N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)ccc1SC ZINC000058527903 823404184 /nfs/dbraw/zinc/40/41/84/823404184.db2.gz NFYFVYAEDAEHBO-FQEVSTJZSA-N 1 1 398.572 4.433 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000572813589 823404291 /nfs/dbraw/zinc/40/42/91/823404291.db2.gz AQDWBGCCLUQUSD-RDJZCZTQSA-N 1 1 387.911 4.025 20 0 GIADMO C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccc1-n1cccn1 ZINC000177231189 823405531 /nfs/dbraw/zinc/40/55/31/823405531.db2.gz GJUALAFTMDHOLB-GOSISDBHSA-N 1 1 383.499 4.398 20 0 GIADMO Cn1c(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)nc2ccccc21 ZINC000122755918 823406738 /nfs/dbraw/zinc/40/67/38/823406738.db2.gz LKCUKZKLJVETLT-UHFFFAOYSA-N 1 1 394.482 4.111 20 0 GIADMO COc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1OC1CCCC1 ZINC000058547517 823407305 /nfs/dbraw/zinc/40/73/05/823407305.db2.gz OYUXOXPRXVYNFQ-IAGOWNOFSA-N 1 1 389.540 4.401 20 0 GIADMO CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)c(C)c1 ZINC000189414991 823411525 /nfs/dbraw/zinc/41/15/25/823411525.db2.gz JQFUAGNHEBGRTO-HNNXBMFYSA-N 1 1 397.544 4.408 20 0 GIADMO CC[C@H](C)Sc1ccc(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)c(C)c1 ZINC000189414991 823411528 /nfs/dbraw/zinc/41/15/28/823411528.db2.gz JQFUAGNHEBGRTO-HNNXBMFYSA-N 1 1 397.544 4.408 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886182 823413841 /nfs/dbraw/zinc/41/38/41/823413841.db2.gz CLTAQXOORASOHD-GCJKJVERSA-N 1 1 382.548 4.497 20 0 GIADMO COc1ccc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886182 823413845 /nfs/dbraw/zinc/41/38/45/823413845.db2.gz CLTAQXOORASOHD-GCJKJVERSA-N 1 1 382.548 4.497 20 0 GIADMO COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)c1OC ZINC000572886182 823413848 /nfs/dbraw/zinc/41/38/48/823413848.db2.gz CLTAQXOORASOHD-GCJKJVERSA-N 1 1 382.548 4.497 20 0 GIADMO O=C(CC1CCCC1)N1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000058578952 823412183 /nfs/dbraw/zinc/41/21/83/823412183.db2.gz WWFJOKKBNFOPNN-UHFFFAOYSA-N 1 1 384.442 4.200 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc(OCCF)c2)C1 ZINC000122791365 823412733 /nfs/dbraw/zinc/41/27/33/823412733.db2.gz OXWDRPXEDMUOOY-MSOLQXFVSA-N 1 1 377.504 4.153 20 0 GIADMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(C)c(OCc3ccccn3)c(C)c2)C1 ZINC000572888787 823414487 /nfs/dbraw/zinc/41/44/87/823414487.db2.gz KRVBWOSAWAQINM-NRFANRHFSA-N 1 1 395.547 4.016 20 0 GIADMO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888998 823414497 /nfs/dbraw/zinc/41/44/97/823414497.db2.gz TXNNLMOBGSFMPU-SMDDNHRTSA-N 1 1 395.263 4.120 20 0 GIADMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888998 823414502 /nfs/dbraw/zinc/41/45/02/823414502.db2.gz TXNNLMOBGSFMPU-SMDDNHRTSA-N 1 1 395.263 4.120 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888998 823414503 /nfs/dbraw/zinc/41/45/03/823414503.db2.gz TXNNLMOBGSFMPU-SMDDNHRTSA-N 1 1 395.263 4.120 20 0 GIADMO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888996 823414510 /nfs/dbraw/zinc/41/45/10/823414510.db2.gz TXNNLMOBGSFMPU-FZMZJTMJSA-N 1 1 395.263 4.120 20 0 GIADMO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888996 823414516 /nfs/dbraw/zinc/41/45/16/823414516.db2.gz TXNNLMOBGSFMPU-FZMZJTMJSA-N 1 1 395.263 4.120 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888996 823414517 /nfs/dbraw/zinc/41/45/17/823414517.db2.gz TXNNLMOBGSFMPU-FZMZJTMJSA-N 1 1 395.263 4.120 20 0 GIADMO Cc1cnc([C@@H](NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C2CC2)s1 ZINC000122805743 823415783 /nfs/dbraw/zinc/41/57/83/823415783.db2.gz IRVLDZBWUFHHBZ-LIRRHRJNSA-N 1 1 395.532 4.457 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460538223 823424302 /nfs/dbraw/zinc/42/43/02/823424302.db2.gz QXVQAGLGVZOSFW-JOCHJYFZSA-N 1 1 393.531 4.386 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000460538223 823424305 /nfs/dbraw/zinc/42/43/05/823424305.db2.gz QXVQAGLGVZOSFW-JOCHJYFZSA-N 1 1 393.531 4.386 20 0 GIADMO Cc1cccc(CC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1 ZINC000572947817 823425263 /nfs/dbraw/zinc/42/52/63/823425263.db2.gz MGUIMXRAZWNZBU-NRFANRHFSA-N 1 1 388.515 4.393 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000189476515 823425454 /nfs/dbraw/zinc/42/54/54/823425454.db2.gz BSQKBWSLTAWEHR-KRWDZBQOSA-N 1 1 398.469 4.145 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(OCCF)c1 ZINC000122865383 823425835 /nfs/dbraw/zinc/42/58/35/823425835.db2.gz VZMKOANODZQALQ-UTKZUKDTSA-N 1 1 385.483 4.067 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC(F)F ZINC000122869869 823426421 /nfs/dbraw/zinc/42/64/21/823426421.db2.gz XPMGSVVCHTXNJX-INIZCTEOSA-N 1 1 390.430 4.147 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1F ZINC000177305624 823427737 /nfs/dbraw/zinc/42/77/37/823427737.db2.gz YNATXAMOPLEANX-UHFFFAOYSA-N 1 1 392.434 4.161 20 0 GIADMO COc1cccc(Cl)c1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000573007370 823432765 /nfs/dbraw/zinc/43/27/65/823432765.db2.gz AGMVIFXMWYWGGG-HNNXBMFYSA-N 1 1 392.952 4.313 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)c1ccco1 ZINC000177322512 823432821 /nfs/dbraw/zinc/43/28/21/823432821.db2.gz RSEZBCWBYJDBEP-IBGZPJMESA-N 1 1 398.507 4.223 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024662834 819861459 /nfs/dbraw/zinc/86/14/59/819861459.db2.gz JVVPKRDXAWARNZ-AWEZNQCLSA-N 1 1 399.878 4.308 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024662834 819861467 /nfs/dbraw/zinc/86/14/67/819861467.db2.gz JVVPKRDXAWARNZ-AWEZNQCLSA-N 1 1 399.878 4.308 20 0 GIADMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024666478 819862024 /nfs/dbraw/zinc/86/20/24/819862024.db2.gz AKBCOGGNWVQFEC-FUHWJXTLSA-N 1 1 395.478 4.193 20 0 GIADMO CCNC(=O)C[N@H+](CC)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000024680810 819864338 /nfs/dbraw/zinc/86/43/38/819864338.db2.gz AEEQRKSJVZSVOW-UHFFFAOYSA-N 1 1 396.922 4.151 20 0 GIADMO CCNC(=O)C[N@@H+](CC)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000024680810 819864346 /nfs/dbraw/zinc/86/43/46/819864346.db2.gz AEEQRKSJVZSVOW-UHFFFAOYSA-N 1 1 396.922 4.151 20 0 GIADMO COCCc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000189514857 823435183 /nfs/dbraw/zinc/43/51/83/823435183.db2.gz LOUYSNXPJCCPHV-FRIKZZABSA-N 1 1 393.531 4.193 20 0 GIADMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(SC)c2)cc1OC ZINC000024805313 819879018 /nfs/dbraw/zinc/87/90/18/819879018.db2.gz CDEBRDGGYCJTTA-OAHLLOKOSA-N 1 1 388.533 4.193 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(SC)c2)cc1OC ZINC000024805313 819879027 /nfs/dbraw/zinc/87/90/27/819879027.db2.gz CDEBRDGGYCJTTA-OAHLLOKOSA-N 1 1 388.533 4.193 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024855741 819884828 /nfs/dbraw/zinc/88/48/28/819884828.db2.gz DJISFXMBJTVTMG-MRXNPFEDSA-N 1 1 397.544 4.086 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC[N@H+]1C 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COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000025302207 819958203 /nfs/dbraw/zinc/95/82/03/819958203.db2.gz PDJZDQCQJKKBQC-ZJSXRUAMSA-N 1 1 397.515 4.255 20 0 GIADMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000573057773 823441929 /nfs/dbraw/zinc/44/19/29/823441929.db2.gz WRZTURVRFXZIPO-VGSWGCGISA-N 1 1 385.508 4.326 20 0 GIADMO COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C2CC2)cc1 ZINC000025360630 819970055 /nfs/dbraw/zinc/97/00/55/819970055.db2.gz XDLHWAUXOUXSFF-JOCHJYFZSA-N 1 1 382.479 4.162 20 0 GIADMO COc1ccc(CN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)C2CC2)cc1 ZINC000025360630 819970059 /nfs/dbraw/zinc/97/00/59/819970059.db2.gz XDLHWAUXOUXSFF-JOCHJYFZSA-N 1 1 382.479 4.162 20 0 GIADMO O=C(c1ccc(Cl)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025378266 819972892 /nfs/dbraw/zinc/97/28/92/819972892.db2.gz XQPBDRRXCHQBST-UHFFFAOYSA-N 1 1 380.875 4.480 20 0 GIADMO Cc1sc(-c2ccco2)nc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025464773 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VTJQZWMDGARESN-SJORKVTESA-N 1 1 377.488 4.240 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000026193521 820068221 /nfs/dbraw/zinc/06/82/21/820068221.db2.gz RCAPQKSDMWJRJA-MRXNPFEDSA-N 1 1 381.520 4.402 20 0 GIADMO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1cccc(F)c1 ZINC000026194355 820068341 /nfs/dbraw/zinc/06/83/41/820068341.db2.gz CZJGIIQULJDFQX-UHFFFAOYSA-N 1 1 377.463 4.055 20 0 GIADMO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1cccc(F)c1 ZINC000026194355 820068351 /nfs/dbraw/zinc/06/83/51/820068351.db2.gz CZJGIIQULJDFQX-UHFFFAOYSA-N 1 1 377.463 4.055 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177398850 823453528 /nfs/dbraw/zinc/45/35/28/823453528.db2.gz PSNMNIITALNMEA-STQMWFEESA-N 1 1 384.904 4.141 20 0 GIADMO COc1ccc(C2(C(=O)NCCC[N@@H+](C)Cc3ccccc3)CCCC2)cc1 ZINC000058784204 823451392 /nfs/dbraw/zinc/45/13/92/823451392.db2.gz PPDZECQBZPTPNJ-UHFFFAOYSA-N 1 1 380.532 4.145 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000026370697 820091124 /nfs/dbraw/zinc/09/11/24/820091124.db2.gz PQDYTKFBLQZXBY-OAHLLOKOSA-N 1 1 388.895 4.187 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000026370697 820091134 /nfs/dbraw/zinc/09/11/34/820091134.db2.gz PQDYTKFBLQZXBY-OAHLLOKOSA-N 1 1 388.895 4.187 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000189585906 823452280 /nfs/dbraw/zinc/45/22/80/823452280.db2.gz PGIJOVMJNFZKQC-NRFANRHFSA-N 1 1 394.446 4.422 20 0 GIADMO O[C@H]([C@@H]1CC[N@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)C1)C(F)(F)F ZINC000573134663 823452438 /nfs/dbraw/zinc/45/24/38/823452438.db2.gz PMMXPFOPUNANNJ-DJIMGWMZSA-N 1 1 377.834 4.053 20 0 GIADMO CC(=O)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000123045643 823452767 /nfs/dbraw/zinc/45/27/67/823452767.db2.gz CUACDFOVAUUDIL-HXUWFJFHSA-N 1 1 377.444 4.389 20 0 GIADMO CC(=O)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000123045643 823452773 /nfs/dbraw/zinc/45/27/73/823452773.db2.gz CUACDFOVAUUDIL-HXUWFJFHSA-N 1 1 377.444 4.389 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000026485726 820103998 /nfs/dbraw/zinc/10/39/98/820103998.db2.gz ZEDMUYRNDIKWAK-CRAIPNDOSA-N 1 1 383.517 4.039 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000573143670 823454883 /nfs/dbraw/zinc/45/48/83/823454883.db2.gz WSBGXNWYCITMRQ-CQSZACIVSA-N 1 1 397.445 4.133 20 0 GIADMO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000189598577 823455261 /nfs/dbraw/zinc/45/52/61/823455261.db2.gz SJNGQKCGPIEFFP-CVEARBPZSA-N 1 1 380.496 4.260 20 0 GIADMO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000189598577 823455262 /nfs/dbraw/zinc/45/52/62/823455262.db2.gz SJNGQKCGPIEFFP-CVEARBPZSA-N 1 1 380.496 4.260 20 0 GIADMO FC(F)(F)C(F)(F)COCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000189598173 823455311 /nfs/dbraw/zinc/45/53/11/823455311.db2.gz RTIIGCDNJHHUSG-GFCCVEGCSA-N 1 1 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/nfs/dbraw/zinc/46/50/92/823465092.db2.gz MYSBDHIFELWTCJ-UHFFFAOYSA-N 1 1 378.944 4.085 20 0 GIADMO Cc1ccc(-c2nc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cs2)cc1 ZINC000027334972 820225600 /nfs/dbraw/zinc/22/56/00/820225600.db2.gz JNKZLYVAGXMMJI-GOSISDBHSA-N 1 1 381.501 4.278 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1occc1COc1ccccc1 ZINC000027336031 820226403 /nfs/dbraw/zinc/22/64/03/820226403.db2.gz HYMGSDUZAUGUGL-IBGZPJMESA-N 1 1 380.444 4.019 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)CC1 ZINC000058861026 823463416 /nfs/dbraw/zinc/46/34/16/823463416.db2.gz XKJOHJJZDQCSBP-CMDGGOBGSA-N 1 1 385.939 4.480 20 0 GIADMO COc1ccccc1-c1ccc(C[NH2+]C(C)(C)c2nnc3n2CCCC3)cc1 ZINC000573195873 823464125 /nfs/dbraw/zinc/46/41/25/823464125.db2.gz AGGVVHHUCYIMFR-UHFFFAOYSA-N 1 1 376.504 4.315 20 0 GIADMO CCc1ccc(-c2nc(C[N@H+](CCC(N)=O)Cc3ccccc3)cs2)cc1 ZINC000027548217 820258416 /nfs/dbraw/zinc/25/84/16/820258416.db2.gz UHNJMSVOUJHXGA-UHFFFAOYSA-N 1 1 379.529 4.250 20 0 GIADMO CCc1ccc(-c2nc(C[N@@H+](CCC(N)=O)Cc3ccccc3)cs2)cc1 ZINC000027548217 820258421 /nfs/dbraw/zinc/25/84/21/820258421.db2.gz UHNJMSVOUJHXGA-UHFFFAOYSA-N 1 1 379.529 4.250 20 0 GIADMO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000177474117 823471058 /nfs/dbraw/zinc/47/10/58/823471058.db2.gz VPARLPFWFMAKBS-QAPCUYQASA-N 1 1 392.931 4.089 20 0 GIADMO CC[C@H](C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1)C1CCC(C)CC1 ZINC000460666329 823471662 /nfs/dbraw/zinc/47/16/62/823471662.db2.gz DSUHKEDVKHUCIZ-RQWVFBBXSA-N 1 1 399.579 4.175 20 0 GIADMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000573207439 823465625 /nfs/dbraw/zinc/46/56/25/823465625.db2.gz WDRVFTWIGSDEEJ-OXQOHEQNSA-N 1 1 375.463 4.158 20 0 GIADMO O=C1[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)CCCN1Cc1ccccc1 ZINC000123123717 823466220 /nfs/dbraw/zinc/46/62/20/823466220.db2.gz GKTAKAMHJPYGAV-QGZVFWFLSA-N 1 1 380.460 4.016 20 0 GIADMO COCC[N@H+](Cc1cnc(OC)nc1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000410336538 823466516 /nfs/dbraw/zinc/46/65/16/823466516.db2.gz HBXZZHGZDKECSN-AWEZNQCLSA-N 1 1 383.414 4.022 20 0 GIADMO COCC[N@@H+](Cc1cnc(OC)nc1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000410336538 823466522 /nfs/dbraw/zinc/46/65/22/823466522.db2.gz HBXZZHGZDKECSN-AWEZNQCLSA-N 1 1 383.414 4.022 20 0 GIADMO COc1cc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)c(OC)cc1Cl ZINC000027906549 820295554 /nfs/dbraw/zinc/29/55/54/820295554.db2.gz OWGYHLXJGBANRA-SFHVURJKSA-N 1 1 388.895 4.305 20 0 GIADMO CC(C)c1cc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1C(C)(C)C ZINC000058899787 823467998 /nfs/dbraw/zinc/46/79/98/823467998.db2.gz WZFJMPAISIHLHG-HDICACEKSA-N 1 1 376.589 4.249 20 0 GIADMO CC(C)n1nccc1C[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000410347139 823469475 /nfs/dbraw/zinc/46/94/75/823469475.db2.gz YXBPXWGOFXOVDZ-NRFANRHFSA-N 1 1 381.520 4.268 20 0 GIADMO CO[C@H](C)c1noc(CN2CCC[N@H+]([C@H](C)c3ccc4ccccc4c3)CC2)n1 ZINC000177468662 823469652 /nfs/dbraw/zinc/46/96/52/823469652.db2.gz WPYFBXOWLKCUPO-QZTJIDSGSA-N 1 1 394.519 4.199 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000028281377 820322725 /nfs/dbraw/zinc/32/27/25/820322725.db2.gz SZHOAXDAWWIECK-JOCHJYFZSA-N 1 1 377.463 4.029 20 0 GIADMO CC(C)c1ccc(CN(C)C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000028353968 820328430 /nfs/dbraw/zinc/32/84/30/820328430.db2.gz ZYLAIUDXMWIFRC-UHFFFAOYSA-N 1 1 379.548 4.400 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000123149847 823470319 /nfs/dbraw/zinc/47/03/19/823470319.db2.gz ZTUGMRVNRUEVNO-KRWDZBQOSA-N 1 1 377.492 4.046 20 0 GIADMO C[C@H](CNC(=O)NCc1ccc(Cl)cc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000028382276 820331134 /nfs/dbraw/zinc/33/11/34/820331134.db2.gz PFGZPALPDJQYKM-GFCCVEGCSA-N 1 1 398.359 4.301 20 0 GIADMO C[C@H](CNC(=O)NCc1ccc(Cl)cc1Cl)[N@H+]1CCc2sccc2C1 ZINC000028382276 820331145 /nfs/dbraw/zinc/33/11/45/820331145.db2.gz PFGZPALPDJQYKM-GFCCVEGCSA-N 1 1 398.359 4.301 20 0 GIADMO CC[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028392377 820332376 /nfs/dbraw/zinc/33/23/76/820332376.db2.gz QHLASVBEMSYESC-HTAPYJJXSA-N 1 1 383.511 4.365 20 0 GIADMO CCc1cc(NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)nc(C)n1 ZINC000460667761 823471970 /nfs/dbraw/zinc/47/19/70/823471970.db2.gz IWVGYTGGNCGFTM-GOSISDBHSA-N 1 1 394.441 4.388 20 0 GIADMO CCc1cc(NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)nc(C)n1 ZINC000460667763 823471993 /nfs/dbraw/zinc/47/19/93/823471993.db2.gz IWVGYTGGNCGFTM-SFHVURJKSA-N 1 1 394.441 4.388 20 0 GIADMO Cc1cc(C)cc(NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410356555 823472401 /nfs/dbraw/zinc/47/24/01/823472401.db2.gz XMYUHJQMYOYWQR-KDURUIRLSA-N 1 1 381.520 4.234 20 0 GIADMO COc1ccc([C@@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccco2)cc1 ZINC000573266113 823473159 /nfs/dbraw/zinc/47/31/59/823473159.db2.gz UEYKPMOYXTYGKK-NFBKMPQASA-N 1 1 390.483 4.016 20 0 GIADMO Cc1cccc2sc(NC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000028888212 820367506 /nfs/dbraw/zinc/36/75/06/820367506.db2.gz XGBSLZLCMJKCPL-IYBDPMFKSA-N 1 1 395.528 4.466 20 0 GIADMO Cc1cccc2sc(NC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000028888212 820367517 /nfs/dbraw/zinc/36/75/17/820367517.db2.gz XGBSLZLCMJKCPL-IYBDPMFKSA-N 1 1 395.528 4.466 20 0 GIADMO C[C@@H]1C[N@H+](CCCNC(=O)C[C@H](Cc2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000460672844 823473846 /nfs/dbraw/zinc/47/38/46/823473846.db2.gz BJUTWDPWEZCUQJ-IMSXRSKXSA-N 1 1 394.559 4.019 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000028899927 820369964 /nfs/dbraw/zinc/36/99/64/820369964.db2.gz NRPHHQYAXZKJGP-GOSISDBHSA-N 1 1 399.498 4.442 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCOc1ccccc1-c1ccccc1 ZINC000058944551 823474029 /nfs/dbraw/zinc/47/40/29/823474029.db2.gz OEMBQSDYCZMGDF-GOSISDBHSA-N 1 1 377.488 4.080 20 0 GIADMO COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000028954815 820376773 /nfs/dbraw/zinc/37/67/73/820376773.db2.gz LNZXGZNRFMEKMR-SECBINFHSA-N 1 1 387.288 4.131 20 0 GIADMO COc1ccc(C)cc1C[NH+]1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000028965349 820377559 /nfs/dbraw/zinc/37/75/59/820377559.db2.gz MXGKUPAZEHVBSJ-UHFFFAOYSA-N 1 1 395.478 4.116 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000058950434 823474654 /nfs/dbraw/zinc/47/46/54/823474654.db2.gz DGEBQVOFILHNHE-AOMKIAJQSA-N 1 1 398.934 4.334 20 0 GIADMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)C1 ZINC000123179490 823474880 /nfs/dbraw/zinc/47/48/80/823474880.db2.gz MCWXJPCKSPKUKJ-PMACEKPBSA-N 1 1 392.543 4.115 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCCc4occc43)cc2)C1 ZINC000410363489 823475125 /nfs/dbraw/zinc/47/51/25/823475125.db2.gz JDLUKBQRPQPFGC-UTKZUKDTSA-N 1 1 381.520 4.388 20 0 GIADMO CC[N@@H+](CCNC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)CCC(F)(F)F ZINC000460675791 823475171 /nfs/dbraw/zinc/47/51/71/823475171.db2.gz YNUGZAGRLPGMOS-BETUJISGSA-N 1 1 391.400 4.023 20 0 GIADMO COc1ccc(SCCC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000029050205 820387451 /nfs/dbraw/zinc/38/74/51/820387451.db2.gz PGTGGBUTOXGYCQ-IBGZPJMESA-N 1 1 392.952 4.250 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCc4occc43)cc2)C1 ZINC000410363487 823475237 /nfs/dbraw/zinc/47/52/37/823475237.db2.gz JDLUKBQRPQPFGC-LAUBAEHRSA-N 1 1 381.520 4.388 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)C3(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000058954345 823475325 /nfs/dbraw/zinc/47/53/25/823475325.db2.gz BWOIMRGUYGKNIO-UHFFFAOYSA-N 1 1 397.950 4.148 20 0 GIADMO COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1C ZINC000123186297 823475627 /nfs/dbraw/zinc/47/56/27/823475627.db2.gz ORMOBZGDINPPSB-KRWDZBQOSA-N 1 1 392.503 4.400 20 0 GIADMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000029189220 820409322 /nfs/dbraw/zinc/40/93/22/820409322.db2.gz GDZUVHOCEQSYJI-IBGZPJMESA-N 1 1 394.521 4.053 20 0 GIADMO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000029189220 820409328 /nfs/dbraw/zinc/40/93/28/820409328.db2.gz GDZUVHOCEQSYJI-IBGZPJMESA-N 1 1 394.521 4.053 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2c2cccn2C)C1 ZINC000410370003 823477788 /nfs/dbraw/zinc/47/77/88/823477788.db2.gz ZLMXIHIAJMJXJT-AUSIDOKSSA-N 1 1 394.563 4.304 20 0 GIADMO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(c3cccc4ccccc43)CC2)o1 ZINC000058974980 823477811 /nfs/dbraw/zinc/47/78/11/823477811.db2.gz OONXMMAQVBPLJT-UHFFFAOYSA-N 1 1 398.528 4.063 20 0 GIADMO C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177503495 823478225 /nfs/dbraw/zinc/47/82/25/823478225.db2.gz MWLPDTCYSYPDID-KSZLIROESA-N 1 1 377.573 4.244 20 0 GIADMO Cc1cc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c2cnn(C)c2n1 ZINC000177515307 823480402 /nfs/dbraw/zinc/48/04/02/823480402.db2.gz MHCRHVNAIBQIQN-UHFFFAOYSA-N 1 1 391.519 4.294 20 0 GIADMO COc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000410376363 823480595 /nfs/dbraw/zinc/48/05/95/823480595.db2.gz TUCXAWKQEVJLOT-QGZVFWFLSA-N 1 1 397.519 4.257 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[N@@H+](C)[C@@H]3CCc4ccccc43)cc(=O)oc2c1 ZINC000029484681 820461861 /nfs/dbraw/zinc/46/18/61/820461861.db2.gz RDXSAOPQXAMFFQ-HXUWFJFHSA-N 1 1 392.455 4.481 20 0 GIADMO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000029499524 820464118 /nfs/dbraw/zinc/46/41/18/820464118.db2.gz HMMNUEZUIIDDQA-CYBMUJFWSA-N 1 1 379.279 4.213 20 0 GIADMO COc1cc(F)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000189724011 823482441 /nfs/dbraw/zinc/48/24/41/823482441.db2.gz IYYZQZIQCZDKFD-QAPCUYQASA-N 1 1 395.837 4.194 20 0 GIADMO COc1cc(F)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000189724011 823482443 /nfs/dbraw/zinc/48/24/43/823482443.db2.gz IYYZQZIQCZDKFD-QAPCUYQASA-N 1 1 395.837 4.194 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000573347028 823482785 /nfs/dbraw/zinc/48/27/85/823482785.db2.gz LBGQAPGKEZRQLT-SNVBAGLBSA-N 1 1 395.247 4.463 20 0 GIADMO Clc1cc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)ccc1Br ZINC000189724452 823482818 /nfs/dbraw/zinc/48/28/18/823482818.db2.gz GURSHFZCFJMILF-CYBMUJFWSA-N 1 1 395.732 4.409 20 0 GIADMO Clc1cc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)ccc1Br ZINC000189724452 823482820 /nfs/dbraw/zinc/48/28/20/823482820.db2.gz GURSHFZCFJMILF-CYBMUJFWSA-N 1 1 395.732 4.409 20 0 GIADMO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000123245348 823484225 /nfs/dbraw/zinc/48/42/25/823484225.db2.gz IOYSVWSLNYNLBW-GUYCJALGSA-N 1 1 389.414 4.271 20 0 GIADMO CC(C)[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1cccc(Cl)c1 ZINC000059038121 823484224 /nfs/dbraw/zinc/48/42/24/823484224.db2.gz MLGDWCCRUCXBPH-UHFFFAOYSA-N 1 1 399.922 4.316 20 0 GIADMO CC(C)[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1cccc(Cl)c1 ZINC000059038121 823484229 /nfs/dbraw/zinc/48/42/29/823484229.db2.gz MLGDWCCRUCXBPH-UHFFFAOYSA-N 1 1 399.922 4.316 20 0 GIADMO CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123245912 823484623 /nfs/dbraw/zinc/48/46/23/823484623.db2.gz YKLZHYQSOZORMD-HRAATJIYSA-N 1 1 377.492 4.429 20 0 GIADMO COc1ccc(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c(F)c1 ZINC000059057294 823484833 /nfs/dbraw/zinc/48/48/33/823484833.db2.gz SDUPEARUMQEFIF-CALCHBBNSA-N 1 1 384.495 4.242 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000029760364 820511755 /nfs/dbraw/zinc/51/17/55/820511755.db2.gz AYJZCSKJMSWGQS-UHFFFAOYSA-N 1 1 379.891 4.155 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCNc2ccccc2)cc1 ZINC000123251827 823485302 /nfs/dbraw/zinc/48/53/02/823485302.db2.gz QSWJZYSJUVLZAJ-KRWDZBQOSA-N 1 1 377.492 4.043 20 0 GIADMO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1c(C)noc1C ZINC000123252416 823485619 /nfs/dbraw/zinc/48/56/19/823485619.db2.gz MQXZUBSMHNTQSM-AEFFLSMTSA-N 1 1 390.553 4.015 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC)cc2C(F)(F)F)C1 ZINC000177539613 823485879 /nfs/dbraw/zinc/48/58/79/823485879.db2.gz HLANKMRLFLLMHF-CQSZACIVSA-N 1 1 387.446 4.300 20 0 GIADMO C[N@@H+]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)[C@H](c2ccccc2)C1 ZINC000029803411 820521599 /nfs/dbraw/zinc/52/15/99/820521599.db2.gz WHHRFDVXHHWDEK-LEQVUBRHSA-N 1 1 391.902 4.417 20 0 GIADMO C[N@H+]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)[C@H](c2ccccc2)C1 ZINC000029803411 820521606 /nfs/dbraw/zinc/52/16/06/820521606.db2.gz WHHRFDVXHHWDEK-LEQVUBRHSA-N 1 1 391.902 4.417 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCC)cc2C(F)(F)F)C1 ZINC000177539596 823485938 /nfs/dbraw/zinc/48/59/38/823485938.db2.gz HLANKMRLFLLMHF-AWEZNQCLSA-N 1 1 387.446 4.300 20 0 GIADMO CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000029824981 820524722 /nfs/dbraw/zinc/52/47/22/820524722.db2.gz XJIXTVVQAAMMDX-HNNXBMFYSA-N 1 1 381.501 4.368 20 0 GIADMO CSc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000029824981 820524730 /nfs/dbraw/zinc/52/47/30/820524730.db2.gz XJIXTVVQAAMMDX-HNNXBMFYSA-N 1 1 381.501 4.368 20 0 GIADMO Cc1ccnc(Oc2cc(NC(=O)c3cc(C[NH+]4CCCC4)on3)ccc2C)c1 ZINC000573380680 823486745 /nfs/dbraw/zinc/48/67/45/823486745.db2.gz BDAAHPQOTWWEDT-UHFFFAOYSA-N 1 1 392.459 4.327 20 0 GIADMO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](c2nccs2)c2ccccc2)c1 ZINC000123262753 823487409 /nfs/dbraw/zinc/48/74/09/823487409.db2.gz HLQOTCQLBNTHLW-FOIQADDNSA-N 1 1 381.501 4.248 20 0 GIADMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000177554751 823489801 /nfs/dbraw/zinc/48/98/01/823489801.db2.gz YGUMAVBRRQMICC-LAUBAEHRSA-N 1 1 391.540 4.451 20 0 GIADMO CC[N@H+](CCSc1ccc(C)c(C)c1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000059258969 823487670 /nfs/dbraw/zinc/48/76/70/823487670.db2.gz ANRCERLPOTVRGV-UHFFFAOYSA-N 1 1 399.560 4.315 20 0 GIADMO CC[N@@H+](CCSc1ccc(C)c(C)c1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000059258969 823487675 /nfs/dbraw/zinc/48/76/75/823487675.db2.gz ANRCERLPOTVRGV-UHFFFAOYSA-N 1 1 399.560 4.315 20 0 GIADMO Cc1ccc(SCC[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000059259027 823487766 /nfs/dbraw/zinc/48/77/66/823487766.db2.gz KTWJPGDWSZWUBG-KRWDZBQOSA-N 1 1 377.575 4.492 20 0 GIADMO Cc1ccc(SCC[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000059259027 823487770 /nfs/dbraw/zinc/48/77/70/823487770.db2.gz KTWJPGDWSZWUBG-KRWDZBQOSA-N 1 1 377.575 4.492 20 0 GIADMO O=C(CSc1ccccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029938968 820551294 /nfs/dbraw/zinc/55/12/94/820551294.db2.gz QURZTQUBCFHEBE-INIZCTEOSA-N 1 1 378.925 4.369 20 0 GIADMO CC(C)Cn1cc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c(C(F)F)n1 ZINC000573402433 823488483 /nfs/dbraw/zinc/48/84/83/823488483.db2.gz GXKROBIOGBDWSS-OAHLLOKOSA-N 1 1 393.482 4.119 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000029992251 820563349 /nfs/dbraw/zinc/56/33/49/820563349.db2.gz DPTWJSDWDXRSFC-IBGZPJMESA-N 1 1 398.304 4.059 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)[C@H](c2ccccc2)C1 ZINC000029992251 820563352 /nfs/dbraw/zinc/56/33/52/820563352.db2.gz DPTWJSDWDXRSFC-IBGZPJMESA-N 1 1 398.304 4.059 20 0 GIADMO CC[C@H](C)Oc1ccccc1/C=C/c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000573405891 823489088 /nfs/dbraw/zinc/48/90/88/823489088.db2.gz IJLQFPSVJMUPBD-SLKHCXBYSA-N 1 1 383.492 4.343 20 0 GIADMO CC[C@H](C)Oc1ccccc1/C=C/c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000573405891 823489092 /nfs/dbraw/zinc/48/90/92/823489092.db2.gz IJLQFPSVJMUPBD-SLKHCXBYSA-N 1 1 383.492 4.343 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cn1 ZINC000123307769 823493974 /nfs/dbraw/zinc/49/39/74/823493974.db2.gz XKYFISOJBJSGPR-KRWDZBQOSA-N 1 1 391.519 4.131 20 0 GIADMO COc1ccc(-c2nc(NC(=O)C[N@H+](C)Cc3ccccc3)sc2C)cc1 ZINC000059371057 823494378 /nfs/dbraw/zinc/49/43/78/823494378.db2.gz RRMLYNAZMSITCA-UHFFFAOYSA-N 1 1 381.501 4.198 20 0 GIADMO COc1ccc(-c2nc(NC(=O)C[N@@H+](C)Cc3ccccc3)sc2C)cc1 ZINC000059371057 823494381 /nfs/dbraw/zinc/49/43/81/823494381.db2.gz RRMLYNAZMSITCA-UHFFFAOYSA-N 1 1 381.501 4.198 20 0 GIADMO COc1cc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)ccc1OCC(C)C ZINC000059370925 823494398 /nfs/dbraw/zinc/49/43/98/823494398.db2.gz ITUZMISKBFUTDN-GOSISDBHSA-N 1 1 384.520 4.039 20 0 GIADMO COc1cc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)ccc1OCC(C)C ZINC000059370925 823494402 /nfs/dbraw/zinc/49/44/02/823494402.db2.gz ITUZMISKBFUTDN-GOSISDBHSA-N 1 1 384.520 4.039 20 0 GIADMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C)cc1Cl)c1ccsc1 ZINC000030435936 820617393 /nfs/dbraw/zinc/61/73/93/820617393.db2.gz PBLXSMWUZDJAMH-INIZCTEOSA-N 1 1 386.970 4.071 20 0 GIADMO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)c1nnnn1C1CCCCC1 ZINC000189772804 823491862 /nfs/dbraw/zinc/49/18/62/823491862.db2.gz IDWYRDLPGSUCET-MOPGFXCFSA-N 1 1 396.583 4.404 20 0 GIADMO C[C@@H](c1nn(CN(C)Cc2ccccc2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000030542738 820636556 /nfs/dbraw/zinc/63/65/56/820636556.db2.gz NMNBYZKBNKPYMX-INIZCTEOSA-N 1 1 399.539 4.254 20 0 GIADMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000460714742 823492657 /nfs/dbraw/zinc/49/26/57/823492657.db2.gz DNXDGXOMUAQJHH-HXUWFJFHSA-N 1 1 377.463 4.215 20 0 GIADMO CCOc1cc(C[NH2+][C@H](COC)c2ccc(C)o2)cc(Br)c1OC ZINC000177568995 823493184 /nfs/dbraw/zinc/49/31/84/823493184.db2.gz PEAKXZSKJIZKBI-OAHLLOKOSA-N 1 1 398.297 4.235 20 0 GIADMO Cc1ccc(C[N@@H+](CC(=O)NCC(F)(F)F)[C@@H]2CCc3ccccc32)cc1 ZINC000059405751 823495574 /nfs/dbraw/zinc/49/55/74/823495574.db2.gz HFBCYIGXKVUQBV-LJQANCHMSA-N 1 1 376.422 4.163 20 0 GIADMO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000059404449 823495597 /nfs/dbraw/zinc/49/55/97/823495597.db2.gz VFPDRHZCVPSAFJ-WMLDXEAASA-N 1 1 389.927 4.356 20 0 GIADMO Fc1ccc(-c2nc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)co2)cc1F ZINC000177590293 823497478 /nfs/dbraw/zinc/49/74/78/823497478.db2.gz VVGSWXNXRYKMLU-GOSISDBHSA-N 1 1 392.446 4.170 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ncoc2-c2ccccc2Cl)C1 ZINC000460731743 823498466 /nfs/dbraw/zinc/49/84/66/823498466.db2.gz NDHLIABXRANECG-IYBDPMFKSA-N 1 1 389.927 4.483 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000410484539 823498574 /nfs/dbraw/zinc/49/85/74/823498574.db2.gz QMYVICIVDVRERO-MLDBQTBOSA-N 1 1 386.580 4.214 20 0 GIADMO c1c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907274 820706778 /nfs/dbraw/zinc/70/67/78/820706778.db2.gz PKGJVPPETXKEEA-OAQYLSRUSA-N 1 1 386.543 4.172 20 0 GIADMO c1c(CNC[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907274 820706783 /nfs/dbraw/zinc/70/67/83/820706783.db2.gz PKGJVPPETXKEEA-OAQYLSRUSA-N 1 1 386.543 4.172 20 0 GIADMO Cc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccc(F)c4)CC3)n2)cc1 ZINC000030975674 820713757 /nfs/dbraw/zinc/71/37/57/820713757.db2.gz VYPUPZFHBOXHMO-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000031006840 820720755 /nfs/dbraw/zinc/72/07/55/820720755.db2.gz URJDYQFJFOTUNC-CQSZACIVSA-N 1 1 387.936 4.429 20 0 GIADMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031006840 820720759 /nfs/dbraw/zinc/72/07/59/820720759.db2.gz URJDYQFJFOTUNC-CQSZACIVSA-N 1 1 387.936 4.429 20 0 GIADMO CC[C@@H](NC(=O)c1cccc(C(F)F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177605920 823500098 /nfs/dbraw/zinc/50/00/98/823500098.db2.gz QWPGOPPRKJADRI-UXHICEINSA-N 1 1 388.458 4.034 20 0 GIADMO CC[C@@H](NC(=O)c1cccc(C(F)F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177605920 823500100 /nfs/dbraw/zinc/50/01/00/823500100.db2.gz QWPGOPPRKJADRI-UXHICEINSA-N 1 1 388.458 4.034 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000060060352 823506156 /nfs/dbraw/zinc/50/61/56/823506156.db2.gz YZOHNFAHHHHZJH-UHFFFAOYSA-N 1 1 394.494 4.010 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CCSc2c(F)cccc21 ZINC000031123527 820747022 /nfs/dbraw/zinc/74/70/22/820747022.db2.gz QWKQSDZMYYSKLA-HXUWFJFHSA-N 1 1 399.535 4.110 20 0 GIADMO C[C@H]1C[C@H](N(C)Cc2coc(-c3ccc(Br)cc3)n2)CC[N@H+]1C ZINC000123392697 823504991 /nfs/dbraw/zinc/50/49/91/823504991.db2.gz VISZRXVLMUBBJR-SUMWQHHRSA-N 1 1 378.314 4.019 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000060061824 823506254 /nfs/dbraw/zinc/50/62/54/823506254.db2.gz JYLIEKOAQCSGDW-VNHYZAJKSA-N 1 1 391.364 4.019 20 0 GIADMO 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COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NCc1cscn1)CC2 ZINC000123620497 823526696 /nfs/dbraw/zinc/52/66/96/823526696.db2.gz IHKKTDMTOSJILA-UHFFFAOYSA-N 1 1 395.528 4.331 20 0 GIADMO CC(C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460844138 823526885 /nfs/dbraw/zinc/52/68/85/823526885.db2.gz BHKBQAHEKWPTQO-UHFFFAOYSA-N 1 1 387.597 4.041 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1)C1CC1 ZINC000460863454 823531632 /nfs/dbraw/zinc/53/16/32/823531632.db2.gz RELNOFMHQAXYPD-PKTZIBPZSA-N 1 1 378.516 4.321 20 0 GIADMO C[N@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(Br)cc1 ZINC000060474420 823531967 /nfs/dbraw/zinc/53/19/67/823531967.db2.gz DVOKWAROHALXFL-LBPRGKRZSA-N 1 1 390.730 4.036 20 0 GIADMO COc1cc(C)ccc1OCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000060475334 823532190 /nfs/dbraw/zinc/53/21/90/823532190.db2.gz BOFFYFRFONMFRT-LJQANCHMSA-N 1 1 396.531 4.073 20 0 GIADMO CC(C)Cn1c(-c2ccoc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000460866328 823532323 /nfs/dbraw/zinc/53/23/23/823532323.db2.gz WLGYWLFZPSXIKQ-UHFFFAOYSA-N 1 1 397.498 4.046 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(NC(=O)c4ccccc4C)CC3)co2)cc1 ZINC000123710926 823533881 /nfs/dbraw/zinc/53/38/81/823533881.db2.gz ZDDWWBKQNCDIMZ-UHFFFAOYSA-N 1 1 389.499 4.353 20 0 GIADMO CCC(CC)n1ncc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1C ZINC000123720784 823534788 /nfs/dbraw/zinc/53/47/88/823534788.db2.gz QMDAHFRGWKMSQL-JXFKEZNVSA-N 1 1 388.581 4.427 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000041786457 821229804 /nfs/dbraw/zinc/22/98/04/821229804.db2.gz ONKJOKMCLXEDHQ-LJQANCHMSA-N 1 1 393.531 4.063 20 0 GIADMO CCCOc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OCCC ZINC000177861918 823537929 /nfs/dbraw/zinc/53/79/29/823537929.db2.gz CSZRXWKSTXYNRS-HKUYNNGSSA-N 1 1 391.556 4.458 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)C1 ZINC000177863397 823538143 /nfs/dbraw/zinc/53/81/43/823538143.db2.gz OGJYBPPIUVIQGB-IRXDYDNUSA-N 1 1 386.565 4.163 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)NCCC[N@@H+]2CCCC[C@H]2C)on1 ZINC000041822722 821234133 /nfs/dbraw/zinc/23/41/33/821234133.db2.gz JFHWDIKIDXTABC-QGZVFWFLSA-N 1 1 387.549 4.270 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000177875318 823539716 /nfs/dbraw/zinc/53/97/16/823539716.db2.gz RZJXTIKTQFOIOC-UXHICEINSA-N 1 1 386.927 4.193 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000042147767 821274725 /nfs/dbraw/zinc/27/47/25/821274725.db2.gz KGCDPNNCBLYTNS-QZTJIDSGSA-N 1 1 387.568 4.106 20 0 GIADMO Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229149 821288841 /nfs/dbraw/zinc/28/88/41/821288841.db2.gz BQNAWUGYHCVBMV-OAHLLOKOSA-N 1 1 393.362 4.121 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000042298919 821296907 /nfs/dbraw/zinc/29/69/07/821296907.db2.gz FIDIFDVHSGWDGS-KRWDZBQOSA-N 1 1 380.467 4.087 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000042298919 821296915 /nfs/dbraw/zinc/29/69/15/821296915.db2.gz FIDIFDVHSGWDGS-KRWDZBQOSA-N 1 1 380.467 4.087 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000042332833 821301373 /nfs/dbraw/zinc/30/13/73/821301373.db2.gz YBEFEBPPGUUGOO-KRWDZBQOSA-N 1 1 380.467 4.087 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000042332833 821301382 /nfs/dbraw/zinc/30/13/82/821301382.db2.gz YBEFEBPPGUUGOO-KRWDZBQOSA-N 1 1 380.467 4.087 20 0 GIADMO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000042356108 821304206 /nfs/dbraw/zinc/30/42/06/821304206.db2.gz GCFAKMQIMWCIPZ-RLFYNMQTSA-N 1 1 388.533 4.168 20 0 GIADMO CC(C)[C@@H](NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000042635006 821317175 /nfs/dbraw/zinc/31/71/75/821317175.db2.gz RGUCXRLOFMOWRB-RPWUZVMVSA-N 1 1 398.522 4.085 20 0 GIADMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)NCc1cccs1 ZINC000042742774 821329952 /nfs/dbraw/zinc/32/99/52/821329952.db2.gz YXLOBXHCSDEUBV-UHFFFAOYSA-N 1 1 389.908 4.039 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccco1 ZINC000043137529 821366335 /nfs/dbraw/zinc/36/63/35/821366335.db2.gz OFTXXVVCHPVWSV-JKSUJKDBSA-N 1 1 384.505 4.039 20 0 GIADMO CC[C@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000180634904 821376852 /nfs/dbraw/zinc/37/68/52/821376852.db2.gz UVVJGRKVIFCYOG-IBGZPJMESA-N 1 1 380.444 4.362 20 0 GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000180653753 821383634 /nfs/dbraw/zinc/38/36/34/821383634.db2.gz ICLRIGZJRPEQPA-MGPUTAFESA-N 1 1 385.895 4.279 20 0 GIADMO CC[C@@H](CSC)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000180656438 821384681 /nfs/dbraw/zinc/38/46/81/821384681.db2.gz SDGDWOQNXMQBAU-INIZCTEOSA-N 1 1 377.579 4.206 20 0 GIADMO CC[C@@H](CSC)[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000180656438 821384690 /nfs/dbraw/zinc/38/46/90/821384690.db2.gz SDGDWOQNXMQBAU-INIZCTEOSA-N 1 1 377.579 4.206 20 0 GIADMO COc1cc2c(cc1NC(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)oc1ccccc12 ZINC000043278761 821386157 /nfs/dbraw/zinc/38/61/57/821386157.db2.gz QMTBSEYJQNGRTP-AWEZNQCLSA-N 1 1 379.460 4.200 20 0 GIADMO CC[C@@H](CSC)[N@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000180671652 821390296 /nfs/dbraw/zinc/39/02/96/821390296.db2.gz USBOMQZYSFCSRD-KRWDZBQOSA-N 1 1 377.579 4.206 20 0 GIADMO CC[C@@H](CSC)[N@@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000180671652 821390308 /nfs/dbraw/zinc/39/03/08/821390308.db2.gz USBOMQZYSFCSRD-KRWDZBQOSA-N 1 1 377.579 4.206 20 0 GIADMO C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ncc(Br)s1 ZINC000180691463 821397266 /nfs/dbraw/zinc/39/72/66/821397266.db2.gz SPQAQSXAUBBYAH-KWQFWETISA-N 1 1 395.244 4.309 20 0 GIADMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1nnc(C2CC2)s1 ZINC000043359610 821397737 /nfs/dbraw/zinc/39/77/37/821397737.db2.gz FXVIHZOTGBMRKQ-OAHLLOKOSA-N 1 1 391.928 4.028 20 0 GIADMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)Nc1cccc2ccccc21 ZINC000180709612 821409503 /nfs/dbraw/zinc/40/95/03/821409503.db2.gz YCDHFSBOZCUKBM-OAQYLSRUSA-N 1 1 389.499 4.118 20 0 GIADMO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccccc1 ZINC000180716093 821414241 /nfs/dbraw/zinc/41/42/41/821414241.db2.gz ZLFZINNXQUJLPY-SFTDATJTSA-N 1 1 397.906 4.055 20 0 GIADMO O[C@@H](C[C@H]1COCC[N@H+]1Cc1c[nH]nc1-c1cccc(Cl)c1)c1ccccc1 ZINC000180716093 821414246 /nfs/dbraw/zinc/41/42/46/821414246.db2.gz ZLFZINNXQUJLPY-SFTDATJTSA-N 1 1 397.906 4.055 20 0 GIADMO COCCCOCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000180726125 821419921 /nfs/dbraw/zinc/41/99/21/821419921.db2.gz BETNSDMRHLSGJD-LBPRGKRZSA-N 1 1 388.295 4.089 20 0 GIADMO COCCCOCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000180726125 821419927 /nfs/dbraw/zinc/41/99/27/821419927.db2.gz BETNSDMRHLSGJD-LBPRGKRZSA-N 1 1 388.295 4.089 20 0 GIADMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cnc3ccc(C)cn23)CC1 ZINC000180750422 821433311 /nfs/dbraw/zinc/43/33/11/821433311.db2.gz REMMSKYULIGAFB-UHFFFAOYSA-N 1 1 396.560 4.221 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180782775 821455137 /nfs/dbraw/zinc/45/51/37/821455137.db2.gz RNNQUSLUXOSGFE-KDOFPFPSSA-N 1 1 392.469 4.041 20 0 GIADMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3ccc4c(c3)OCO4)ccc2c1 ZINC000043783056 821457970 /nfs/dbraw/zinc/45/79/70/821457970.db2.gz BHURFLYEOBHTKY-UHFFFAOYSA-N 1 1 392.455 4.038 20 0 GIADMO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000043802778 821460708 /nfs/dbraw/zinc/46/07/08/821460708.db2.gz MNTRKVWRPCRWGM-UWJYYQICSA-N 1 1 378.472 4.133 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000043803232 821461454 /nfs/dbraw/zinc/46/14/54/821461454.db2.gz ZYYMAWPXGYBISG-LJQANCHMSA-N 1 1 398.894 4.280 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000043810235 821462632 /nfs/dbraw/zinc/46/26/32/821462632.db2.gz LRKMPSQIVUFSQI-KPKJPENVSA-N 1 1 384.907 4.096 20 0 GIADMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(OCc4ccccc4F)c3)[C@@H]2C1 ZINC000180817444 821478051 /nfs/dbraw/zinc/47/80/51/821478051.db2.gz JJWPHNOUBFFEHK-UEVCKROQSA-N 1 1 385.479 4.173 20 0 GIADMO FC(F)(F)c1cc(C[NH+]2CCC(Cn3ccnn3)CC2)cc(C(F)(F)F)c1 ZINC000180821455 821480962 /nfs/dbraw/zinc/48/09/62/821480962.db2.gz UQMDGTVPXHWVHU-UHFFFAOYSA-N 1 1 392.347 4.228 20 0 GIADMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000180829280 821484532 /nfs/dbraw/zinc/48/45/32/821484532.db2.gz WMMDFAJWIIYKMW-LJQANCHMSA-N 1 1 386.923 4.219 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1NCc1ccccc1OCC(=O)N1CCCC1 ZINC000180845856 821491287 /nfs/dbraw/zinc/49/12/87/821491287.db2.gz DQZRKHJMPPNIFT-UHFFFAOYSA-N 1 1 393.531 4.209 20 0 GIADMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4nncn4C4CC4)C3)cs2)cc1 ZINC000180858224 821498136 /nfs/dbraw/zinc/49/81/36/821498136.db2.gz YKDPTQJUBCVRPQ-HNNXBMFYSA-N 1 1 383.496 4.255 20 0 GIADMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nncn4C4CC4)C3)cs2)cc1 ZINC000180858224 821498148 /nfs/dbraw/zinc/49/81/48/821498148.db2.gz YKDPTQJUBCVRPQ-HNNXBMFYSA-N 1 1 383.496 4.255 20 0 GIADMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C)n1CCC(C)C ZINC000180859599 821498256 /nfs/dbraw/zinc/49/82/56/821498256.db2.gz QOGBBNJUAMXVCD-IBGZPJMESA-N 1 1 397.567 4.140 20 0 GIADMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c(C)n1CCC(C)C ZINC000180859599 821498260 /nfs/dbraw/zinc/49/82/60/821498260.db2.gz QOGBBNJUAMXVCD-IBGZPJMESA-N 1 1 397.567 4.140 20 0 GIADMO Cc1ccc(-c2n[nH]cc2CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000180876563 821508213 /nfs/dbraw/zinc/50/82/13/821508213.db2.gz NJSISSHCZDOJAR-IRXDYDNUSA-N 1 1 380.492 4.199 20 0 GIADMO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000180921264 821539052 /nfs/dbraw/zinc/53/90/52/821539052.db2.gz WSUUDJXQWWCDNY-OPAMFIHVSA-N 1 1 397.544 4.179 20 0 GIADMO CCOC(=O)C1CC[NH+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)CC1 ZINC000180938922 821547653 /nfs/dbraw/zinc/54/76/53/821547653.db2.gz QVTKLSHLDUSYEH-UHFFFAOYSA-N 1 1 394.471 4.279 20 0 GIADMO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000180962549 821558443 /nfs/dbraw/zinc/55/84/43/821558443.db2.gz ZXPJPFAUELLAIV-UHFFFAOYSA-N 1 1 390.531 4.491 20 0 GIADMO COc1cc(-c2nc(C[N@H+](Cc3ccccc3)[C@@H](C)CCO)cs2)ccc1O ZINC000180975095 821567284 /nfs/dbraw/zinc/56/72/84/821567284.db2.gz LWLJMNULPRWSOG-INIZCTEOSA-N 1 1 398.528 4.297 20 0 GIADMO COc1cc(-c2nc(C[N@@H+](Cc3ccccc3)[C@@H](C)CCO)cs2)ccc1O ZINC000180975095 821567291 /nfs/dbraw/zinc/56/72/91/821567291.db2.gz LWLJMNULPRWSOG-INIZCTEOSA-N 1 1 398.528 4.297 20 0 GIADMO Cc1cc2cc([C@H](C)NCc3ccc(C(=O)NCC[NH+](C)C)cc3)oc2cc1C ZINC000180999168 821584429 /nfs/dbraw/zinc/58/44/29/821584429.db2.gz CGMHLXHVFYLQGV-SFHVURJKSA-N 1 1 393.531 4.192 20 0 GIADMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000044443292 821587748 /nfs/dbraw/zinc/58/77/48/821587748.db2.gz WUTSXGWTVKQDML-UHFFFAOYSA-N 1 1 386.858 4.206 20 0 GIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NCc2ccc(Oc3ccccc3)o2)c1 ZINC000181016205 821595226 /nfs/dbraw/zinc/59/52/26/821595226.db2.gz AIOCRTIVSQUNAR-NRFANRHFSA-N 1 1 391.471 4.134 20 0 GIADMO Cc1cc(Br)oc1C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000044507180 821597178 /nfs/dbraw/zinc/59/71/78/821597178.db2.gz AYCRDKITAXXLMX-UHFFFAOYSA-N 1 1 391.309 4.007 20 0 GIADMO CS(=O)(=O)Cc1nc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)cs1 ZINC000181035978 821604944 /nfs/dbraw/zinc/60/49/44/821604944.db2.gz IVWOPKSFTQOKTN-GOSISDBHSA-N 1 1 398.981 4.362 20 0 GIADMO Cc1nc2ccccc2n1CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000044552891 821607812 /nfs/dbraw/zinc/60/78/12/821607812.db2.gz PMNULXNEIQKXEK-SFHVURJKSA-N 1 1 390.531 4.036 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000044583356 821615401 /nfs/dbraw/zinc/61/54/01/821615401.db2.gz VRICCGBMBBCSQK-KDURUIRLSA-N 1 1 383.536 4.149 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+](C)CCCn1ccnc1 ZINC000181070904 821618282 /nfs/dbraw/zinc/61/82/82/821618282.db2.gz FZOXEKZCEWWQRU-GFCCVEGCSA-N 1 1 380.279 4.323 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)on1 ZINC000181119360 821645079 /nfs/dbraw/zinc/64/50/79/821645079.db2.gz HAGJFTGOSQCXGV-QGZVFWFLSA-N 1 1 379.504 4.277 20 0 GIADMO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2nnc(C)n2C2CC2)cc1 ZINC000181135080 821655269 /nfs/dbraw/zinc/65/52/69/821655269.db2.gz ARNMJMIUEPCKRF-NRFANRHFSA-N 1 1 380.467 4.143 20 0 GIADMO Cn1c2ccccc2c(Cl)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000044979153 821685470 /nfs/dbraw/zinc/68/54/70/821685470.db2.gz UFGNJPZVQFKVEI-QGZVFWFLSA-N 1 1 385.895 4.382 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)[C@H](C)c2ccccc2)cc1OC ZINC000045004346 821688949 /nfs/dbraw/zinc/68/89/49/821688949.db2.gz YEFSALJCZPWJQA-YLJYHZDGSA-N 1 1 382.504 4.060 20 0 GIADMO Cc1cc2ncc([C@H](C)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)c(C)n2n1 ZINC000181193448 821689078 /nfs/dbraw/zinc/68/90/78/821689078.db2.gz BNSVUMDUBYHUIH-IBGZPJMESA-N 1 1 391.563 4.429 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)[C@H](C)c2ccccc2)cc1OC ZINC000045004346 821688954 /nfs/dbraw/zinc/68/89/54/821688954.db2.gz YEFSALJCZPWJQA-YLJYHZDGSA-N 1 1 382.504 4.060 20 0 GIADMO Cc1cc2ncc([C@@H](C)NCc3ccccc3C[N@@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000181202989 821694986 /nfs/dbraw/zinc/69/49/86/821694986.db2.gz XDJCDTZIAULCJI-PKOBYXMFSA-N 1 1 391.563 4.429 20 0 GIADMO Cc1cc2ncc([C@@H](C)NCc3ccccc3C[N@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000181202989 821694990 /nfs/dbraw/zinc/69/49/90/821694990.db2.gz XDJCDTZIAULCJI-PKOBYXMFSA-N 1 1 391.563 4.429 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC2)[nH+]c1 ZINC000181212196 821699770 /nfs/dbraw/zinc/69/97/70/821699770.db2.gz VWPYDWMPPBZFJQ-HNNXBMFYSA-N 1 1 386.462 4.025 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(Br)c2OC)c1 ZINC000181261875 821722900 /nfs/dbraw/zinc/72/29/00/821722900.db2.gz AARSHENXIIDXRC-LBPRGKRZSA-N 1 1 380.282 4.326 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1cccc(N2CCOC2=O)c1 ZINC000181308326 821747219 /nfs/dbraw/zinc/74/72/19/821747219.db2.gz BDMAFYGFZJOERL-CYBMUJFWSA-N 1 1 399.397 4.427 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000181310817 821748919 /nfs/dbraw/zinc/74/89/19/821748919.db2.gz VIOITFPLEBUEDK-AWEZNQCLSA-N 1 1 380.473 4.013 20 0 GIADMO COc1ccc([C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C(F)(F)F)cc1 ZINC000181330253 821763141 /nfs/dbraw/zinc/76/31/41/821763141.db2.gz UZXZFIFYDRNAEH-CRAIPNDOSA-N 1 1 384.442 4.069 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccco1)Cc1ccco1 ZINC000181339890 821771106 /nfs/dbraw/zinc/77/11/06/821771106.db2.gz KFKZQFXPYCSJAU-GOSISDBHSA-N 1 1 381.476 4.105 20 0 GIADMO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ncc(Br)s2)n1 ZINC000181402354 821808158 /nfs/dbraw/zinc/80/81/58/821808158.db2.gz KORJQSBXWHMOIX-LBPRGKRZSA-N 1 1 377.311 4.251 20 0 GIADMO Nc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)nc2ccccc12 ZINC000181421398 821817635 /nfs/dbraw/zinc/81/76/35/821817635.db2.gz VESWJLMPMDRIFV-RXVVDRJESA-N 1 1 376.504 4.080 20 0 GIADMO C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181429373 821822294 /nfs/dbraw/zinc/82/22/94/821822294.db2.gz JNFFREBOEMPRFU-WBVHZDCISA-N 1 1 376.928 4.072 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181453171 821832399 /nfs/dbraw/zinc/83/23/99/821832399.db2.gz MCAZRFDIBDTSDO-QFBILLFUSA-N 1 1 397.588 4.425 20 0 GIADMO Cc1ncsc1C[N@@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181455305 821833816 /nfs/dbraw/zinc/83/38/16/821833816.db2.gz GWUVWBUIBRTYAY-INIZCTEOSA-N 1 1 397.466 4.093 20 0 GIADMO Cc1ncsc1C[N@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181455305 821833826 /nfs/dbraw/zinc/83/38/26/821833826.db2.gz GWUVWBUIBRTYAY-INIZCTEOSA-N 1 1 397.466 4.093 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)CCc3ccncc3)cs2)cc1OC ZINC000181460203 821836351 /nfs/dbraw/zinc/83/63/51/821836351.db2.gz AXYYGNHCAZNXNM-UHFFFAOYSA-N 1 1 383.517 4.287 20 0 GIADMO C[C@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181461272 821836919 /nfs/dbraw/zinc/83/69/19/821836919.db2.gz WWSJKFIMKKBHFA-RDJZCZTQSA-N 1 1 398.469 4.287 20 0 GIADMO C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181486240 821848051 /nfs/dbraw/zinc/84/80/51/821848051.db2.gz DARBMSUMBNWQOX-IRXDYDNUSA-N 1 1 378.944 4.268 20 0 GIADMO CC[C@@H]1C[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCO1 ZINC000181495879 821853277 /nfs/dbraw/zinc/85/32/77/821853277.db2.gz GZNHHPHDLVSCFF-DNVCBOLYSA-N 1 1 399.362 4.279 20 0 GIADMO C[C@H](NC(=O)CCc1ccccc1OC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181512019 821861452 /nfs/dbraw/zinc/86/14/52/821861452.db2.gz POLUVACMRCPVPD-RDJZCZTQSA-N 1 1 398.469 4.287 20 0 GIADMO C[C@H](NC(=O)CCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181511992 821861548 /nfs/dbraw/zinc/86/15/48/821861548.db2.gz POLUVACMRCPVPD-DOTOQJQBSA-N 1 1 398.469 4.287 20 0 GIADMO C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181518760 821863998 /nfs/dbraw/zinc/86/39/98/821863998.db2.gz BERAWTSMSBJNPP-MJGOQNOKSA-N 1 1 381.520 4.043 20 0 GIADMO CC(=O)c1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2Br)cc1 ZINC000181522605 821865339 /nfs/dbraw/zinc/86/53/39/821865339.db2.gz YZPHRGFAAGWDHZ-UHFFFAOYSA-N 1 1 389.293 4.115 20 0 GIADMO CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181538656 821873007 /nfs/dbraw/zinc/87/30/07/821873007.db2.gz JXUBWYWHZYMFKY-LSDHHAIUSA-N 1 1 396.373 4.214 20 0 GIADMO C[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Br)s1 ZINC000181555605 821879625 /nfs/dbraw/zinc/87/96/25/821879625.db2.gz UYRIXUZHVRKTPG-BFHYXJOUSA-N 1 1 399.398 4.383 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000181562894 821882178 /nfs/dbraw/zinc/88/21/78/821882178.db2.gz RJYOMKNFZYXBJR-UNMCSNQZSA-N 1 1 381.907 4.316 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000181562894 821882188 /nfs/dbraw/zinc/88/21/88/821882188.db2.gz RJYOMKNFZYXBJR-UNMCSNQZSA-N 1 1 381.907 4.316 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000181578760 821886691 /nfs/dbraw/zinc/88/66/91/821886691.db2.gz BSZJPZVKCMIJCO-STQMWFEESA-N 1 1 389.471 4.272 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccc(OCC2CC2)c(F)c1 ZINC000181578182 821886811 /nfs/dbraw/zinc/88/68/11/821886811.db2.gz ZDNJMTVVGREVDQ-CYBMUJFWSA-N 1 1 375.415 4.471 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)CC1 ZINC000181585229 821890349 /nfs/dbraw/zinc/89/03/49/821890349.db2.gz GSMVOSMMQQFNQX-UHFFFAOYSA-N 1 1 394.450 4.336 20 0 GIADMO C[C@@H](NC(=O)CSc1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181639891 821918313 /nfs/dbraw/zinc/91/83/13/821918313.db2.gz YBWIOFFTIQCUFF-HUUCEWRRSA-N 1 1 389.590 4.158 20 0 GIADMO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1OC)c1ccc(F)cc1F ZINC000181658412 821927459 /nfs/dbraw/zinc/92/74/59/821927459.db2.gz XPVREXOEUVNXOW-QGZVFWFLSA-N 1 1 378.419 4.052 20 0 GIADMO C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669478 821934646 /nfs/dbraw/zinc/93/46/46/821934646.db2.gz SXIIHACIDVOGQE-PKOBYXMFSA-N 1 1 397.588 4.046 20 0 GIADMO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670480 821935448 /nfs/dbraw/zinc/93/54/48/821935448.db2.gz IWVNXVXUDGWNHY-FCEWJHQRSA-N 1 1 378.944 4.267 20 0 GIADMO C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181670048 821935499 /nfs/dbraw/zinc/93/54/99/821935499.db2.gz YLAWHFRWRPRQMJ-CABCVRRESA-N 1 1 387.524 4.332 20 0 GIADMO C[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1cccc2ccccc21 ZINC000181672128 821936318 /nfs/dbraw/zinc/93/63/18/821936318.db2.gz FJIQDJPTPOTGOB-AWEZNQCLSA-N 1 1 395.413 4.268 20 0 GIADMO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698527 821948580 /nfs/dbraw/zinc/94/85/80/821948580.db2.gz DMHFFMGAJONNGC-OXJNMPFZSA-N 1 1 392.971 4.387 20 0 GIADMO C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181698527 821948585 /nfs/dbraw/zinc/94/85/85/821948585.db2.gz DMHFFMGAJONNGC-OXJNMPFZSA-N 1 1 392.971 4.387 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1 ZINC000181703028 821950684 /nfs/dbraw/zinc/95/06/84/821950684.db2.gz JABYDPGBENFANZ-NRFANRHFSA-N 1 1 376.456 4.395 20 0 GIADMO CCCCC[C@H]([NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)c1ccccc1 ZINC000181744977 821973303 /nfs/dbraw/zinc/97/33/03/821973303.db2.gz BVMRCFGWZXHZCG-SFHVURJKSA-N 1 1 395.503 4.352 20 0 GIADMO CCC[C@H]([NH2+]Cc1nnnn1-c1ccccc1Br)c1ccccc1 ZINC000181786162 821991266 /nfs/dbraw/zinc/99/12/66/821991266.db2.gz QUUXXCKWQJKPHM-INIZCTEOSA-N 1 1 386.297 4.056 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(Oc2ccccc2)cc1 ZINC000181808653 822001122 /nfs/dbraw/zinc/00/11/22/822001122.db2.gz RMHWCWVVMNSPQV-OAHLLOKOSA-N 1 1 377.469 4.399 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@H](CC3CCCCC3)c3ccccc3)sc2n1 ZINC000181828419 822009819 /nfs/dbraw/zinc/00/98/19/822009819.db2.gz LOJKNHWPMWRDIV-GOSISDBHSA-N 1 1 382.533 4.261 20 0 GIADMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000181834430 822011893 /nfs/dbraw/zinc/01/18/93/822011893.db2.gz MIHNLQHJPRJZOJ-KRWDZBQOSA-N 1 1 392.858 4.090 20 0 GIADMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)s1 ZINC000181860477 822019374 /nfs/dbraw/zinc/01/93/74/822019374.db2.gz GLMPESZGFOAHID-JSGCOSHPSA-N 1 1 388.455 4.211 20 0 GIADMO CCC[C@@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC000181864705 822020446 /nfs/dbraw/zinc/02/04/46/822020446.db2.gz REAHUZPLWCFKGK-MRXNPFEDSA-N 1 1 399.482 4.424 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914600 822035485 /nfs/dbraw/zinc/03/54/85/822035485.db2.gz KPJAWFYCVYOVHM-RXVVDRJESA-N 1 1 390.886 4.067 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181914600 822035494 /nfs/dbraw/zinc/03/54/94/822035494.db2.gz KPJAWFYCVYOVHM-RXVVDRJESA-N 1 1 390.886 4.067 20 0 GIADMO O=C(Nc1ccnc(Cl)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000181923689 822037246 /nfs/dbraw/zinc/03/72/46/822037246.db2.gz IVDTWOHHKJFOCY-HKUYNNGSSA-N 1 1 384.911 4.253 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)C[C@@H](C)c2nccs2)cc1 ZINC000181945803 822042520 /nfs/dbraw/zinc/04/25/20/822042520.db2.gz VDZSVOUEJTTWAV-HUUCEWRRSA-N 1 1 383.521 4.143 20 0 GIADMO O=C(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000181951965 822043466 /nfs/dbraw/zinc/04/34/66/822043466.db2.gz OPXDZGYWKRVGNE-YVEFUNNKSA-N 1 1 386.845 4.448 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000181961303 822046853 /nfs/dbraw/zinc/04/68/53/822046853.db2.gz AQAYDJPQAPTUBJ-CHWSQXEVSA-N 1 1 389.471 4.272 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000181981925 822052369 /nfs/dbraw/zinc/05/23/69/822052369.db2.gz OJFGXEDQFRXRRO-CQSZACIVSA-N 1 1 398.457 4.365 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(CCc2ccccc2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182007895 822060652 /nfs/dbraw/zinc/06/06/52/822060652.db2.gz FIEOWKCHGCCVNO-QGZVFWFLSA-N 1 1 389.528 4.360 20 0 GIADMO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000182019002 822064787 /nfs/dbraw/zinc/06/47/87/822064787.db2.gz OJKXXOCFXWSMNP-INIZCTEOSA-N 1 1 380.467 4.183 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c(Br)c1 ZINC000182053201 822075353 /nfs/dbraw/zinc/07/53/53/822075353.db2.gz HPVVLUOWQRKKJM-SECBINFHSA-N 1 1 392.219 4.061 20 0 GIADMO C[C@@H]([NH2+]Cc1nc2cc(C(F)(F)F)ccc2o1)c1ccc(-n2ccnn2)cc1 ZINC000182054727 822076035 /nfs/dbraw/zinc/07/60/35/822076035.db2.gz HQIMYVUZIKVOGF-GFCCVEGCSA-N 1 1 387.365 4.278 20 0 GIADMO Cc1nc(CCC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)oc1-c1ccccc1 ZINC000182099935 822093497 /nfs/dbraw/zinc/09/34/97/822093497.db2.gz FDFGHNNTIMSHAJ-GOSISDBHSA-N 1 1 391.515 4.219 20 0 GIADMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(-c2c(F)cccc2F)o1)c1ccccc1 ZINC000182101237 822094612 /nfs/dbraw/zinc/09/46/12/822094612.db2.gz JBENMQQTNFIIJZ-WXTAPIANSA-N 1 1 375.440 4.434 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000182121995 822103474 /nfs/dbraw/zinc/10/34/74/822103474.db2.gz BELRUTIFCZEOQW-FHWLQOOXSA-N 1 1 379.548 4.452 20 0 GIADMO Cc1cccc(C)c1CC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182157048 822122611 /nfs/dbraw/zinc/12/26/11/822122611.db2.gz UNRUQHYOVUGOOK-NRFANRHFSA-N 1 1 388.515 4.128 20 0 GIADMO COc1ccc([C@H](C)NCc2ccc3c(c2)OCCO3)cc1C[NH+]1CCCCC1 ZINC000182216434 822152249 /nfs/dbraw/zinc/15/22/49/822152249.db2.gz ODVQFASSJKUNFD-SFHVURJKSA-N 1 1 396.531 4.303 20 0 GIADMO COc1cc([C@@H](C)[NH2+]C2(c3ccccc3F)CC2)ccc1S(=O)(=O)C(F)F ZINC000182237021 822160402 /nfs/dbraw/zinc/16/04/02/822160402.db2.gz YMPBKKJWOFFRPU-GFCCVEGCSA-N 1 1 399.434 4.171 20 0 GIADMO COc1cccc(-c2nc(C[NH2+][C@H](C)c3ccc4c(c3)OCO4)cs2)c1OC ZINC000182267993 822178976 /nfs/dbraw/zinc/17/89/76/822178976.db2.gz NMGLZPWDEWXJMQ-CYBMUJFWSA-N 1 1 398.484 4.407 20 0 GIADMO CCc1ccccc1N(C(C)=O)c1nc(C[NH2+][C@@H](CC)[C@@H]2CCCO2)cs1 ZINC000182308127 822197138 /nfs/dbraw/zinc/19/71/38/822197138.db2.gz YEUPXKJCGSBMKE-ICSRJNTNSA-N 1 1 387.549 4.437 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355079 822212661 /nfs/dbraw/zinc/21/26/61/822212661.db2.gz KWIDZBNWBMDFLK-JSGCOSHPSA-N 1 1 383.876 4.126 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182355079 822212670 /nfs/dbraw/zinc/21/26/70/822212670.db2.gz KWIDZBNWBMDFLK-JSGCOSHPSA-N 1 1 383.876 4.126 20 0 GIADMO COc1ccc([C@H](NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182380399 822222197 /nfs/dbraw/zinc/22/21/97/822222197.db2.gz JLONOYBHDRRLJR-GTCCEBARSA-N 1 1 385.552 4.099 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1c(C)noc1C ZINC000182396161 822228406 /nfs/dbraw/zinc/22/84/06/822228406.db2.gz MUTZGGFORLKODB-LJQANCHMSA-N 1 1 391.471 4.202 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(F)cc1Br ZINC000177963879 822259496 /nfs/dbraw/zinc/25/94/96/822259496.db2.gz QZQIJQGGFHZKJD-AWEZNQCLSA-N 1 1 393.300 4.276 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]C2CCN(CCc3ccccc3)CC2)cc1NC(C)=O ZINC000177969531 822262825 /nfs/dbraw/zinc/26/28/25/822262825.db2.gz TZPPANJHJIBXMF-GOSISDBHSA-N 1 1 395.547 4.011 20 0 GIADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cc(Br)c(F)cc1Cl ZINC000177985952 822269690 /nfs/dbraw/zinc/26/96/90/822269690.db2.gz LRYKGJCBEQXJQK-JTQLQIEISA-N 1 1 392.700 4.047 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000177987404 822270629 /nfs/dbraw/zinc/27/06/29/822270629.db2.gz JKUCIWBDSDMATC-QXAKKESOSA-N 1 1 398.576 4.305 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)c1c(C)noc1C ZINC000182511876 822275849 /nfs/dbraw/zinc/27/58/49/822275849.db2.gz LTXDZTBJXNKYSV-HNNXBMFYSA-N 1 1 380.286 4.042 20 0 GIADMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000177997409 822276142 /nfs/dbraw/zinc/27/61/42/822276142.db2.gz PSSXXMOOYVVQGG-FYYLOGMGSA-N 1 1 376.500 4.396 20 0 GIADMO Cc1nc(C)c(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC000178000931 822277130 /nfs/dbraw/zinc/27/71/30/822277130.db2.gz QISIJVHFNLVMGO-ZDUSSCGKSA-N 1 1 395.454 4.201 20 0 GIADMO CC(=O)c1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000182514279 822277504 /nfs/dbraw/zinc/27/75/04/822277504.db2.gz KQITWEYFAHDIMD-GOSISDBHSA-N 1 1 399.922 4.229 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)C1 ZINC000178035099 822292220 /nfs/dbraw/zinc/29/22/20/822292220.db2.gz HAUKDEKPNRVPMX-OAHLLOKOSA-N 1 1 396.466 4.439 20 0 GIADMO Brc1ccc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccco2)cc1 ZINC000182541298 822292340 /nfs/dbraw/zinc/29/23/40/822292340.db2.gz WQTNRVIECHREEL-LIRRHRJNSA-N 1 1 375.310 4.205 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)C1 ZINC000178035927 822292385 /nfs/dbraw/zinc/29/23/85/822292385.db2.gz LGKBGNXVGXCXCY-LBPRGKRZSA-N 1 1 393.837 4.087 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3ccccc3)cc2C)C1 ZINC000178036839 822293039 /nfs/dbraw/zinc/29/30/39/822293039.db2.gz AWCZNSPDTZJOMZ-HXUWFJFHSA-N 1 1 381.520 4.380 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)C1 ZINC000178043091 822295878 /nfs/dbraw/zinc/29/58/78/822295878.db2.gz TUPWAZKPKQTFRS-HNNXBMFYSA-N 1 1 388.899 4.333 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2csc(C3CCCC3)n2)C1)c1ccccc1 ZINC000178048444 822299839 /nfs/dbraw/zinc/29/98/39/822299839.db2.gz DENHHLWMDNFCDK-QGZVFWFLSA-N 1 1 383.561 4.443 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2csc(C3CCCC3)n2)C1)c1ccccc1 ZINC000178048444 822299848 /nfs/dbraw/zinc/29/98/48/822299848.db2.gz DENHHLWMDNFCDK-QGZVFWFLSA-N 1 1 383.561 4.443 20 0 GIADMO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(Cl)c(Cl)c1Cl ZINC000178048992 822300227 /nfs/dbraw/zinc/30/02/27/822300227.db2.gz BIWCZWUGDYIERB-SNVBAGLBSA-N 1 1 382.682 4.473 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1)c1ccccc1 ZINC000178050782 822301060 /nfs/dbraw/zinc/30/10/60/822301060.db2.gz MLDKPSSXCGAECL-AWEZNQCLSA-N 1 1 393.350 4.153 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1)c1ccccc1 ZINC000178050782 822301065 /nfs/dbraw/zinc/30/10/65/822301065.db2.gz MLDKPSSXCGAECL-AWEZNQCLSA-N 1 1 393.350 4.153 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1)c1ccccc1 ZINC000178061302 822305019 /nfs/dbraw/zinc/30/50/19/822305019.db2.gz ICWBRKHQXRWALD-MRXNPFEDSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1)c1ccccc1 ZINC000178061302 822305028 /nfs/dbraw/zinc/30/50/28/822305028.db2.gz ICWBRKHQXRWALD-MRXNPFEDSA-N 1 1 381.501 4.045 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ncco3)cc2)C1 ZINC000182565588 822305477 /nfs/dbraw/zinc/30/54/77/822305477.db2.gz FTVOXUYHBWZLPN-MSOLQXFVSA-N 1 1 382.508 4.460 20 0 GIADMO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@H]2CCOc3ccccc32)c2ccccc2)c1 ZINC000178105896 822321991 /nfs/dbraw/zinc/32/19/91/822321991.db2.gz UVSZUPOKTBAAFO-GMAHTHKFSA-N 1 1 393.508 4.293 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)o1 ZINC000182618600 822325112 /nfs/dbraw/zinc/32/51/12/822325112.db2.gz VTOVVRNQZUYBTF-UHFFFAOYSA-N 1 1 396.418 4.138 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2cccc(Br)c2)nnn1-c1ccc(F)cc1 ZINC000178163028 822337606 /nfs/dbraw/zinc/33/76/06/822337606.db2.gz MTRJQUXJJSTMNS-LBPRGKRZSA-N 1 1 389.272 4.328 20 0 GIADMO Oc1ccc(Br)c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000178161158 822337667 /nfs/dbraw/zinc/33/76/67/822337667.db2.gz SICNWDRTGZNNAX-IBGZPJMESA-N 1 1 390.277 4.167 20 0 GIADMO Oc1ccc(Br)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000178166303 822338670 /nfs/dbraw/zinc/33/86/70/822338670.db2.gz NAPJXYMOURBSOF-UHFFFAOYSA-N 1 1 380.257 4.089 20 0 GIADMO O=C(Nc1cccc(OCc2cscn2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178181267 822345163 /nfs/dbraw/zinc/34/51/63/822345163.db2.gz OICDRUWFJXZORV-MRXNPFEDSA-N 1 1 385.533 4.315 20 0 GIADMO Cc1cc(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccc(C(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000178186835 822346613 /nfs/dbraw/zinc/34/66/13/822346613.db2.gz QIMKKHWSDZIYFE-VXKWHMMOSA-N 1 1 392.547 4.106 20 0 GIADMO Cc1ccc(OC(F)F)c(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182722769 822357887 /nfs/dbraw/zinc/35/78/87/822357887.db2.gz OTSARKKGJPUPDX-JKSUJKDBSA-N 1 1 395.494 4.049 20 0 GIADMO COC[C@H]([NH2+]Cc1ccc(OC)cc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000182761096 822363708 /nfs/dbraw/zinc/36/37/08/822363708.db2.gz CFYIOMICRWCMLX-KRWDZBQOSA-N 1 1 375.337 4.470 20 0 GIADMO CC(C)c1[nH+]ccn1CC(=O)NCc1ccccc1COCc1ccccc1 ZINC000182826928 822374139 /nfs/dbraw/zinc/37/41/39/822374139.db2.gz RXKKRZUAHYXHFI-UHFFFAOYSA-N 1 1 377.488 4.040 20 0 GIADMO Cc1nc(-c2ccc(CNC(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)o2)cs1 ZINC000045275141 822375486 /nfs/dbraw/zinc/37/54/86/822375486.db2.gz ZXDKLBNCQWQNHA-OAHLLOKOSA-N 1 1 390.553 4.023 20 0 GIADMO COc1c(C)cc(CN(C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000182841866 822376659 /nfs/dbraw/zinc/37/66/59/822376659.db2.gz YSJLKNUJFBVPDB-QUCCMNQESA-N 1 1 387.568 4.106 20 0 GIADMO C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000178409850 822376666 /nfs/dbraw/zinc/37/66/66/822376666.db2.gz NNHYOZZQZBNPDI-AREMUKBSSA-N 1 1 385.451 4.344 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)cc1O ZINC000178411116 822376677 /nfs/dbraw/zinc/37/66/77/822376677.db2.gz FPCIVDCNMNLELR-JTQLQIEISA-N 1 1 389.345 4.454 20 0 GIADMO C[C@H](NC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182847290 822377949 /nfs/dbraw/zinc/37/79/49/822377949.db2.gz DIGLBLUQAFOAON-RAUXBKROSA-N 1 1 387.543 4.366 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(F)cc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182865757 822381784 /nfs/dbraw/zinc/38/17/84/822381784.db2.gz JXPGOJPVPJQVDD-OLZOCXBDSA-N 1 1 398.320 4.363 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182868922 822382523 /nfs/dbraw/zinc/38/25/23/822382523.db2.gz IGSUIMYAWSGWOF-SJORKVTESA-N 1 1 388.531 4.200 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000178479991 822383793 /nfs/dbraw/zinc/38/37/93/822383793.db2.gz GLHJCMUQWMTZAV-OAHLLOKOSA-N 1 1 395.482 4.160 20 0 GIADMO CCCCCC(=O)NC1CC[NH+](Cc2sc(C)cc2Br)CC1 ZINC000453565893 822385165 /nfs/dbraw/zinc/38/51/65/822385165.db2.gz QTNJIHTVSFXYFN-UHFFFAOYSA-N 1 1 387.387 4.480 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182893327 822387440 /nfs/dbraw/zinc/38/74/40/822387440.db2.gz ABGVURVCSJJKPQ-DOTOQJQBSA-N 1 1 397.485 4.500 20 0 GIADMO Cc1cc(Br)c(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)s1 ZINC000453583982 822388391 /nfs/dbraw/zinc/38/83/91/822388391.db2.gz GQCBZZDBORLTFZ-UHFFFAOYSA-N 1 1 379.323 4.001 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NCc2sc(C)cc2Br)[C@@H](C)C1 ZINC000453592373 822390207 /nfs/dbraw/zinc/39/02/07/822390207.db2.gz RCXIXUNJVHOZKS-XJKSGUPXSA-N 1 1 389.403 4.046 20 0 GIADMO Cc1nc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)sc1C ZINC000178546807 822390510 /nfs/dbraw/zinc/39/05/10/822390510.db2.gz IEKIJAJTQXEHQE-OALUTQOASA-N 1 1 384.549 4.278 20 0 GIADMO CON1CCC([N@@H+](C)Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000453604146 822391466 /nfs/dbraw/zinc/39/14/66/822391466.db2.gz MAWAMIODUVXDNF-UHFFFAOYSA-N 1 1 387.911 4.050 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1OCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182918911 822392732 /nfs/dbraw/zinc/39/27/32/822392732.db2.gz IGGUFHIPZOWPQM-CABCVRRESA-N 1 1 399.457 4.402 20 0 GIADMO c1c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000178590785 822394416 /nfs/dbraw/zinc/39/44/16/822394416.db2.gz WLQPGLDDTIOXDN-VXKWHMMOSA-N 1 1 391.540 4.246 20 0 GIADMO c1c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000178590785 822394421 /nfs/dbraw/zinc/39/44/21/822394421.db2.gz WLQPGLDDTIOXDN-VXKWHMMOSA-N 1 1 391.540 4.246 20 0 GIADMO Cc1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C(C)C)n1 ZINC000178600378 822395282 /nfs/dbraw/zinc/39/52/82/822395282.db2.gz IOOFHDOVFOYLAA-IFMALSPDSA-N 1 1 392.547 4.035 20 0 GIADMO Cc1nc(COc2ccc(C[N@H+](Cc3cnn(C)c3)CC(C)C)cc2)cs1 ZINC000453628073 822395592 /nfs/dbraw/zinc/39/55/92/822395592.db2.gz WJDKYUAOAZYWFZ-UHFFFAOYSA-N 1 1 384.549 4.422 20 0 GIADMO O=S(=O)(CC[NH2+]Cc1cnc(C2CCCC2)s1)c1ccc(Cl)cc1 ZINC000178619328 822396748 /nfs/dbraw/zinc/39/67/48/822396748.db2.gz VSEGQDOTQWWDOI-UHFFFAOYSA-N 1 1 384.954 4.018 20 0 GIADMO COc1ccc(CN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000182952103 822398958 /nfs/dbraw/zinc/39/89/58/822398958.db2.gz IQQFGTFYMPGKII-IEBWSBKVSA-N 1 1 385.552 4.022 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2ccncc2)cc1NC(C)=O ZINC000178704670 822404257 /nfs/dbraw/zinc/40/42/57/822404257.db2.gz YZCATLWDGLVWBZ-WAIKUNEKSA-N 1 1 375.472 4.489 20 0 GIADMO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178703816 822404288 /nfs/dbraw/zinc/40/42/88/822404288.db2.gz DGBSOMDKOAOXOU-QVKFZJNVSA-N 1 1 384.476 4.064 20 0 GIADMO CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H](C)c1cccc(O)c1 ZINC000178712318 822404887 /nfs/dbraw/zinc/40/48/87/822404887.db2.gz UVAIMIYHRJAPBA-CQSZACIVSA-N 1 1 381.501 4.198 20 0 GIADMO CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@H](C)c1cccc(O)c1 ZINC000178712318 822404888 /nfs/dbraw/zinc/40/48/88/822404888.db2.gz UVAIMIYHRJAPBA-CQSZACIVSA-N 1 1 381.501 4.198 20 0 GIADMO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccc(-n4ccnc4C)cc3)n2)cc1 ZINC000178712090 822404920 /nfs/dbraw/zinc/40/49/20/822404920.db2.gz KQKAOUPEKDADME-KRWDZBQOSA-N 1 1 387.487 4.226 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000045684939 822405503 /nfs/dbraw/zinc/40/55/03/822405503.db2.gz HLQOLOXJYRDQQU-UHFFFAOYSA-N 1 1 395.272 4.057 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)c3cc(C)sc3C)nc2c1 ZINC000182987324 822405794 /nfs/dbraw/zinc/40/57/94/822405794.db2.gz OBIQOTPJRDSTKR-GFCCVEGCSA-N 1 1 378.519 4.151 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)[C@H](C)C1 ZINC000182987595 822406013 /nfs/dbraw/zinc/40/60/13/822406013.db2.gz QBDQLWNUBAMHIM-SJKOYZFVSA-N 1 1 393.503 4.199 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000045716416 822407457 /nfs/dbraw/zinc/40/74/57/822407457.db2.gz KLAHGGIIGSWAPX-OAHLLOKOSA-N 1 1 391.284 4.439 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000045716416 822407458 /nfs/dbraw/zinc/40/74/58/822407458.db2.gz KLAHGGIIGSWAPX-OAHLLOKOSA-N 1 1 391.284 4.439 20 0 GIADMO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000178758667 822407614 /nfs/dbraw/zinc/40/76/14/822407614.db2.gz ZWJUVXRLVCATPF-UONOGXRCSA-N 1 1 376.545 4.063 20 0 GIADMO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)s1 ZINC000178758678 822407631 /nfs/dbraw/zinc/40/76/31/822407631.db2.gz ZWJUVXRLVCATPF-KBPBESRZSA-N 1 1 376.545 4.063 20 0 GIADMO Cc1cc(Cl)c(NC(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)cc1C ZINC000453766250 822408556 /nfs/dbraw/zinc/40/85/56/822408556.db2.gz REELYNXZJJEAKX-UHFFFAOYSA-N 1 1 399.922 4.171 20 0 GIADMO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000045727905 822408536 /nfs/dbraw/zinc/40/85/36/822408536.db2.gz XBHKHHAFUWMJEC-HSZRJFAPSA-N 1 1 393.531 4.379 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000045727905 822408538 /nfs/dbraw/zinc/40/85/38/822408538.db2.gz XBHKHHAFUWMJEC-HSZRJFAPSA-N 1 1 393.531 4.379 20 0 GIADMO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000183003243 822409435 /nfs/dbraw/zinc/40/94/35/822409435.db2.gz ZPAMOYYCRKRFAX-CYBMUJFWSA-N 1 1 378.929 4.166 20 0 GIADMO CC(C)c1cnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)s1 ZINC000183003243 822409436 /nfs/dbraw/zinc/40/94/36/822409436.db2.gz ZPAMOYYCRKRFAX-CYBMUJFWSA-N 1 1 378.929 4.166 20 0 GIADMO Cc1cc2c(cc1C)[C@H](Nc1cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c1)CCCO2 ZINC000183004897 822409591 /nfs/dbraw/zinc/40/95/91/822409591.db2.gz IVDLLLDSJAEEHN-FGZHOGPDSA-N 1 1 393.531 4.079 20 0 GIADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000183006007 822409913 /nfs/dbraw/zinc/40/99/13/822409913.db2.gz HPZXICLIKLWFPU-WOJBJXKFSA-N 1 1 399.922 4.116 20 0 GIADMO Cc1c2ccccc2oc1[C@@H](C)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183007892 822410404 /nfs/dbraw/zinc/41/04/04/822410404.db2.gz WFAFOOKXQKHBTL-OXQOHEQNSA-N 1 1 377.488 4.364 20 0 GIADMO CCC[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(OC)cc1 ZINC000183007351 822410420 /nfs/dbraw/zinc/41/04/20/822410420.db2.gz RZYMBVRKXNGYAN-FCHUYYIVSA-N 1 1 381.520 4.098 20 0 GIADMO COCCN(Cc1ccco1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000045780519 822413089 /nfs/dbraw/zinc/41/30/89/822413089.db2.gz RFWIOYFIWCULGS-IBGZPJMESA-N 1 1 399.535 4.012 20 0 GIADMO COc1ccc(F)cc1[C@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000045789682 822413942 /nfs/dbraw/zinc/41/39/42/822413942.db2.gz YLBKGCPGCPJAFV-INIZCTEOSA-N 1 1 387.499 4.235 20 0 GIADMO C[N@@H+](CCNC(=O)c1ccccc1NC(=O)OCc1ccccc1)C1CCCC1 ZINC000183029931 822414363 /nfs/dbraw/zinc/41/43/63/822414363.db2.gz ASQIKIZKYUNWBO-UHFFFAOYSA-N 1 1 395.503 4.040 20 0 GIADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)C1 ZINC000045803749 822414965 /nfs/dbraw/zinc/41/49/65/822414965.db2.gz HWUBSGRRMRRYSH-QGZVFWFLSA-N 1 1 383.561 4.281 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000178846638 822416198 /nfs/dbraw/zinc/41/61/98/822416198.db2.gz YRVPLHFWUFACFH-CQSZACIVSA-N 1 1 392.434 4.205 20 0 GIADMO Cc1cc(-c2nc3cc(F)ccc3n2C(C)C)ccc1NC(=O)[C@H]1CSC[NH2+]1 ZINC000178870928 822417879 /nfs/dbraw/zinc/41/78/79/822417879.db2.gz RFWQEDSREVQIJC-GOSISDBHSA-N 1 1 398.507 4.333 20 0 GIADMO COC(=O)C[C@H]1CCCN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000178904459 822420514 /nfs/dbraw/zinc/42/05/14/822420514.db2.gz DXVPIFGPQRBQEQ-LJQANCHMSA-N 1 1 387.524 4.011 20 0 GIADMO C[S@@](=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 ZINC000183070786 822420469 /nfs/dbraw/zinc/42/04/69/822420469.db2.gz NRJJEPRUWFCWQV-RBISFHTESA-N 1 1 392.524 4.002 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c2C1 ZINC000178943931 822423754 /nfs/dbraw/zinc/42/37/54/822423754.db2.gz BSWMFWIOIMCCBM-UHFFFAOYSA-N 1 1 389.540 4.290 20 0 GIADMO CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)C1CCCC1 ZINC000454030637 822423781 /nfs/dbraw/zinc/42/37/81/822423781.db2.gz LXCIFKGJXLUYMY-OXJNMPFZSA-N 1 1 385.552 4.070 20 0 GIADMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000183106088 822425219 /nfs/dbraw/zinc/42/52/19/822425219.db2.gz LXKRDDJGXILFAE-NEPJUHHUSA-N 1 1 386.970 4.246 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)Nc1nccs1 ZINC000045953371 822426508 /nfs/dbraw/zinc/42/65/08/822426508.db2.gz QRXBITZHQOJLQE-MRXNPFEDSA-N 1 1 384.530 4.126 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)Nc1nccs1 ZINC000045953371 822426511 /nfs/dbraw/zinc/42/65/11/822426511.db2.gz QRXBITZHQOJLQE-MRXNPFEDSA-N 1 1 384.530 4.126 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000183119745 822426959 /nfs/dbraw/zinc/42/69/59/822426959.db2.gz LSKPNODJRGBXKH-KRWDZBQOSA-N 1 1 380.879 4.134 20 0 GIADMO Cc1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000454084480 822427444 /nfs/dbraw/zinc/42/74/44/822427444.db2.gz IIMAABYLOGOFOT-OALUTQOASA-N 1 1 393.531 4.043 20 0 GIADMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC3(C4CCC4)CCC3)c2C1 ZINC000454088281 822428022 /nfs/dbraw/zinc/42/80/22/822428022.db2.gz NKQDXJJYHMUOOV-KRWDZBQOSA-N 1 1 397.563 4.072 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)N[C@H](c2ccco2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000179000341 822428442 /nfs/dbraw/zinc/42/84/42/822428442.db2.gz BNMJXLBXAFZJPA-BVSLBCMMSA-N 1 1 375.472 4.114 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045979917 822429118 /nfs/dbraw/zinc/42/91/18/822429118.db2.gz ZIMRMHNIRGDDGL-KRWDZBQOSA-N 1 1 394.519 4.341 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1ccccc1 ZINC000183169853 822434942 /nfs/dbraw/zinc/43/49/42/822434942.db2.gz BZCYRAQSWITMFV-KNQAVFIVSA-N 1 1 388.515 4.381 20 0 GIADMO CC[C@@H](CSc1ccccc1)NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000179075406 822435674 /nfs/dbraw/zinc/43/56/74/822435674.db2.gz BXGXRSBEKKTOFK-IBGZPJMESA-N 1 1 383.561 4.294 20 0 GIADMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179085645 822436717 /nfs/dbraw/zinc/43/67/17/822436717.db2.gz FTIKTIJCIFIKLW-MLGOLLRUSA-N 1 1 381.339 4.308 20 0 GIADMO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000179090320 822437019 /nfs/dbraw/zinc/43/70/19/822437019.db2.gz GTWYQZCWFRZOSK-MBSDFSHPSA-N 1 1 391.515 4.492 20 0 GIADMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179092763 822437278 /nfs/dbraw/zinc/43/72/78/822437278.db2.gz DCNSJWFMLNQGBK-HOCLYGCPSA-N 1 1 397.466 4.171 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000046060706 822438444 /nfs/dbraw/zinc/43/84/44/822438444.db2.gz VVHLBFROWYQSBH-VWNXMTODSA-N 1 1 394.515 4.199 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000046060708 822438524 /nfs/dbraw/zinc/43/85/24/822438524.db2.gz VVHLBFROWYQSBH-LADGPHEKSA-N 1 1 394.515 4.199 20 0 GIADMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000183193837 822439195 /nfs/dbraw/zinc/43/91/95/822439195.db2.gz NLTMXXZWFCKDTL-JENIJYKNSA-N 1 1 384.568 4.274 20 0 GIADMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000183193837 822439196 /nfs/dbraw/zinc/43/91/96/822439196.db2.gz NLTMXXZWFCKDTL-JENIJYKNSA-N 1 1 384.568 4.274 20 0 GIADMO C[C@H](NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1cc[nH]c(=O)c1 ZINC000454225664 822440869 /nfs/dbraw/zinc/44/08/69/822440869.db2.gz JKJFWVSRLZMQJB-INIZCTEOSA-N 1 1 382.508 4.434 20 0 GIADMO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183204186 822441208 /nfs/dbraw/zinc/44/12/08/822441208.db2.gz QFFPVJCCMOIEOI-CYBMUJFWSA-N 1 1 391.397 4.350 20 0 GIADMO OCC[N@H+](Cc1cccc2cnccc21)Cc1cc(Br)ccc1F ZINC000183224441 822443927 /nfs/dbraw/zinc/44/39/27/822443927.db2.gz WLXZBVSAJNINIK-UHFFFAOYSA-N 1 1 389.268 4.131 20 0 GIADMO CC(C)c1ccccc1OCCC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000179148927 822444018 /nfs/dbraw/zinc/44/40/18/822444018.db2.gz YJAOIWZOSFUNJU-UHFFFAOYSA-N 1 1 395.547 4.360 20 0 GIADMO CSC[C@H](C)NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183224722 822444186 /nfs/dbraw/zinc/44/41/86/822444186.db2.gz CPSLLEAPYJRPJL-LBPRGKRZSA-N 1 1 390.380 4.009 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cc(Cl)ccc1N1CCCCC1)C1CC1 ZINC000454260444 822445304 /nfs/dbraw/zinc/44/53/04/822445304.db2.gz HUNMZEDLHQEKEO-UHFFFAOYSA-N 1 1 378.948 4.326 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(-c4cccnc4)on3)cc2)C1 ZINC000046155919 822445385 /nfs/dbraw/zinc/44/53/85/822445385.db2.gz RQLREWGQRPCTSZ-INIZCTEOSA-N 1 1 376.460 4.221 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1)c1nccs1 ZINC000183249221 822448388 /nfs/dbraw/zinc/44/83/88/822448388.db2.gz ZPIGAGVKIGIDKZ-ZDUSSCGKSA-N 1 1 391.338 4.327 20 0 GIADMO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179191364 822449119 /nfs/dbraw/zinc/44/91/19/822449119.db2.gz IBIAODITYHQDFD-VGOFRKELSA-N 1 1 395.934 4.491 20 0 GIADMO COc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)ccc1OCc1ccncc1 ZINC000183257747 822449290 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O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccco1 ZINC000183392340 822467659 /nfs/dbraw/zinc/46/76/59/822467659.db2.gz HQSBIBFFEPPUDS-GDBMZVCRSA-N 1 1 387.373 4.448 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C1CC1 ZINC000454395148 822468418 /nfs/dbraw/zinc/46/84/18/822468418.db2.gz SNIDKSGFIICWMQ-UHFFFAOYSA-N 1 1 395.507 4.327 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046403658 822470324 /nfs/dbraw/zinc/47/03/24/822470324.db2.gz JOJIIPILUGASHX-UHFFFAOYSA-N 1 1 396.516 4.106 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)CSc3ccccc3Cl)cc2)CC1 ZINC000046403641 822470346 /nfs/dbraw/zinc/47/03/46/822470346.db2.gz NACYWKGJJHZUAZ-UHFFFAOYSA-N 1 1 389.952 4.213 20 0 GIADMO Cc1ccc(-c2nc(C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)cs2)o1 ZINC000046403587 822470381 /nfs/dbraw/zinc/47/03/81/822470381.db2.gz BVEMPFXOWBZESH-UHFFFAOYSA-N 1 1 396.516 4.106 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3cnc(-c4ccccc4)s3)cc2)CC1 ZINC000046403636 822470385 /nfs/dbraw/zinc/47/03/85/822470385.db2.gz ZTLNVFRSDIQDIX-UHFFFAOYSA-N 1 1 392.528 4.204 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1 ZINC000046403684 822470428 /nfs/dbraw/zinc/47/04/28/822470428.db2.gz NYKQRLVVYGUTEW-UHFFFAOYSA-N 1 1 389.952 4.213 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(Cl)c4cccnc34)cc2)CC1 ZINC000046404532 822470689 /nfs/dbraw/zinc/47/06/89/822470689.db2.gz DYSUMHMRRWRXEK-UHFFFAOYSA-N 1 1 394.906 4.282 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000046431459 822472478 /nfs/dbraw/zinc/47/24/78/822472478.db2.gz VVZBNEARXAWMGA-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000046431459 822472480 /nfs/dbraw/zinc/47/24/80/822472480.db2.gz VVZBNEARXAWMGA-OKILXGFUSA-N 1 1 376.859 4.341 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000183448799 822476564 /nfs/dbraw/zinc/47/65/64/822476564.db2.gz MWYWWTWWZZDVHV-BHIYHBOVSA-N 1 1 395.469 4.282 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000183464757 822478953 /nfs/dbraw/zinc/47/89/53/822478953.db2.gz OOJOHTAWPYPXHV-AWEZNQCLSA-N 1 1 382.435 4.285 20 0 GIADMO Cc1cc2ncc([C@@H](C)NCc3cccc(C[NH+]4CCC(C)CC4)c3)c(C)n2n1 ZINC000179424543 822480546 /nfs/dbraw/zinc/48/05/46/822480546.db2.gz DHDGECAPEQTZTB-LJQANCHMSA-N 1 1 391.563 4.429 20 0 GIADMO COC(=O)c1coc(C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000183473905 822480866 /nfs/dbraw/zinc/48/08/66/822480866.db2.gz KZRGFSURKSOMIU-HXUWFJFHSA-N 1 1 393.418 4.086 20 0 GIADMO Cc1ncsc1C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000179429677 822481507 /nfs/dbraw/zinc/48/15/07/822481507.db2.gz PSZLMSMDKNJLGG-UHFFFAOYSA-N 1 1 375.501 4.331 20 0 GIADMO Cc1ncsc1C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000179429677 822481509 /nfs/dbraw/zinc/48/15/09/822481509.db2.gz PSZLMSMDKNJLGG-UHFFFAOYSA-N 1 1 375.501 4.331 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NC3(c4ccc(F)cc4F)CCC3)CC2)[nH+]c1 ZINC000179439846 822483095 /nfs/dbraw/zinc/48/30/95/822483095.db2.gz NJTQNRVOKBLPQX-UHFFFAOYSA-N 1 1 385.458 4.080 20 0 GIADMO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cc(Cl)ccc3OC(F)F)c(C)n2n1 ZINC000179440112 822483187 /nfs/dbraw/zinc/48/31/87/822483187.db2.gz HQGODRDRYXJGNO-LLVKDONJSA-N 1 1 380.826 4.452 20 0 GIADMO CCO[C@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C[C@@H]1C ZINC000454502419 822486103 /nfs/dbraw/zinc/48/61/03/822486103.db2.gz HNJFQFAZJDWWMX-PXNSSMCTSA-N 1 1 384.524 4.334 20 0 GIADMO CCO[C@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C[C@H]1C ZINC000454502420 822486110 /nfs/dbraw/zinc/48/61/10/822486110.db2.gz HNJFQFAZJDWWMX-XLIONFOSSA-N 1 1 384.524 4.334 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183499842 822486502 /nfs/dbraw/zinc/48/65/02/822486502.db2.gz GZTJDKBUBZGNFH-CHWSQXEVSA-N 1 1 385.430 4.202 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000179465447 822486593 /nfs/dbraw/zinc/48/65/93/822486593.db2.gz ZBZHBUJAZPZOOP-QGZVFWFLSA-N 1 1 379.504 4.421 20 0 GIADMO CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2)o1 ZINC000183503776 822487174 /nfs/dbraw/zinc/48/71/74/822487174.db2.gz ISIDSHAXBJJHBB-RDJZCZTQSA-N 1 1 397.523 4.074 20 0 GIADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC000454520490 822490540 /nfs/dbraw/zinc/49/05/40/822490540.db2.gz XLNVFXALCXUIFR-FQEVSTJZSA-N 1 1 383.540 4.003 20 0 GIADMO FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179494739 822490680 /nfs/dbraw/zinc/49/06/80/822490680.db2.gz JDOIPRDUAKNSRH-OAHLLOKOSA-N 1 1 380.414 4.003 20 0 GIADMO FC(F)(F)COc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179494739 822490682 /nfs/dbraw/zinc/49/06/82/822490682.db2.gz JDOIPRDUAKNSRH-OAHLLOKOSA-N 1 1 380.414 4.003 20 0 GIADMO FC(F)(F)COc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179494739 822490684 /nfs/dbraw/zinc/49/06/84/822490684.db2.gz JDOIPRDUAKNSRH-OAHLLOKOSA-N 1 1 380.414 4.003 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000179495763 822490893 /nfs/dbraw/zinc/49/08/93/822490893.db2.gz LROGPYPOJZBOLR-HXUWFJFHSA-N 1 1 381.520 4.461 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000179495754 822491023 /nfs/dbraw/zinc/49/10/23/822491023.db2.gz LROGPYPOJZBOLR-FQEVSTJZSA-N 1 1 381.520 4.461 20 0 GIADMO CC(C)c1ccc2c(c1)[C@H](NCc1ccnc(OCC[NH+](C)C)c1)CCCO2 ZINC000179511392 822493625 /nfs/dbraw/zinc/49/36/25/822493625.db2.gz RMMCTYPHPVVHGP-OAQYLSRUSA-N 1 1 383.536 4.149 20 0 GIADMO C[NH+](C)CCOc1cc(CN[C@@H]2CCCSc3ccc(Cl)cc32)ccn1 ZINC000179511462 822493692 /nfs/dbraw/zinc/49/36/92/822493692.db2.gz FSZJUZAMKPOSJM-GOSISDBHSA-N 1 1 391.968 4.392 20 0 GIADMO COc1cc(OC)c([C@H](C)[NH2+]Cc2cccnc2OCC(F)F)cc1Cl ZINC000179520919 822496154 /nfs/dbraw/zinc/49/61/54/822496154.db2.gz FUIVJNXJUVEFCK-NSHDSACASA-N 1 1 386.826 4.247 20 0 GIADMO C[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1OC(F)(F)F ZINC000179522435 822496598 /nfs/dbraw/zinc/49/65/98/822496598.db2.gz KLVWMWAULLMBOG-NSHDSACASA-N 1 1 376.325 4.475 20 0 GIADMO CCCCC[N@@H+](CCCOC)Cn1ccc(=O)c2cccc(Br)c21 ZINC000183577578 822496916 /nfs/dbraw/zinc/49/69/16/822496916.db2.gz MRJQMKNTRVSVJD-UHFFFAOYSA-N 1 1 395.341 4.250 20 0 GIADMO Cc1nc(C(F)(F)F)c(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000183593640 822498706 /nfs/dbraw/zinc/49/87/06/822498706.db2.gz FSERCWRMVXWOFF-MRXNPFEDSA-N 1 1 383.483 4.424 20 0 GIADMO Cc1cc(Sc2ccccc2)ccc1NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000454577947 822500018 /nfs/dbraw/zinc/50/00/18/822500018.db2.gz LZOKPWOXYZULOZ-SFHVURJKSA-N 1 1 399.560 4.115 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C ZINC000179543386 822500337 /nfs/dbraw/zinc/50/03/37/822500337.db2.gz WOEWWJCVBSJYDA-MRXNPFEDSA-N 1 1 383.540 4.216 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183611588 822501167 /nfs/dbraw/zinc/50/11/67/822501167.db2.gz WJDMONDGRNCIRB-OUOWLKGYSA-N 1 1 390.506 4.205 20 0 GIADMO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183611588 822501170 /nfs/dbraw/zinc/50/11/70/822501170.db2.gz WJDMONDGRNCIRB-OUOWLKGYSA-N 1 1 390.506 4.205 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)s1 ZINC000183636465 822504706 /nfs/dbraw/zinc/50/47/06/822504706.db2.gz DMEVAOJLMOWVLD-UHFFFAOYSA-N 1 1 377.476 4.035 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H](CCO)C(C)(C)C)cs1)c1ccc(Cl)cc1 ZINC000183663329 822507713 /nfs/dbraw/zinc/50/77/13/822507713.db2.gz OYJQVWGESNKCDX-QGZVFWFLSA-N 1 1 395.956 4.368 20 0 GIADMO C[C@@]1(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@H]1c1ccccc1 ZINC000454625437 822508639 /nfs/dbraw/zinc/50/86/39/822508639.db2.gz DHMTZRSHANKFBF-SIKLNZKXSA-N 1 1 381.545 4.303 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+]C(C)(C)c3cccc(Cl)c3)nc2c1 ZINC000179603252 822510908 /nfs/dbraw/zinc/51/09/08/822510908.db2.gz SXLDREVXWBHMQD-UHFFFAOYSA-N 1 1 392.908 4.300 20 0 GIADMO O=C(CCCc1ncc(-c2ccccc2)o1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000046747021 822512462 /nfs/dbraw/zinc/51/24/62/822512462.db2.gz SLOMQKCJKNLVPQ-NRFANRHFSA-N 1 1 389.499 4.055 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000046750700 822512932 /nfs/dbraw/zinc/51/29/32/822512932.db2.gz FBRZAJFVFRUASY-SFHVURJKSA-N 1 1 395.551 4.016 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cccc(CSc2ccccn2)c1)C1CC1 ZINC000454657152 822513052 /nfs/dbraw/zinc/51/30/52/822513052.db2.gz FPXPZIYDSQTDFT-UHFFFAOYSA-N 1 1 384.549 4.370 20 0 GIADMO CCCC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179614546 822513407 /nfs/dbraw/zinc/51/34/07/822513407.db2.gz PZLUYRZZCOTNFW-ZDUSSCGKSA-N 1 1 383.863 4.148 20 0 GIADMO CCCC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179614546 822513409 /nfs/dbraw/zinc/51/34/09/822513409.db2.gz PZLUYRZZCOTNFW-ZDUSSCGKSA-N 1 1 383.863 4.148 20 0 GIADMO CC(C)[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@H]1C(C)C ZINC000454671899 822515212 /nfs/dbraw/zinc/51/52/12/822515212.db2.gz ZTSDLHGZDASAEH-QUCCMNQESA-N 1 1 375.582 4.380 20 0 GIADMO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000179628916 822515683 /nfs/dbraw/zinc/51/56/83/822515683.db2.gz HUSBQQFBFANCQH-KRWDZBQOSA-N 1 1 378.885 4.184 20 0 GIADMO C[N@H+](Cc1csc(-c2cccc(Br)c2)n1)CC1CCOCC1 ZINC000179629724 822516064 /nfs/dbraw/zinc/51/60/64/822516064.db2.gz ILAVPOONJKCINY-UHFFFAOYSA-N 1 1 381.339 4.431 20 0 GIADMO CCC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)C[C@@H]1COc2ccccc2O1 ZINC000046781508 822516760 /nfs/dbraw/zinc/51/67/60/822516760.db2.gz WKIOIOVEPIIJLM-GOSISDBHSA-N 1 1 379.460 4.097 20 0 GIADMO CCC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)C[C@@H]1COc2ccccc2O1 ZINC000046781508 822516762 /nfs/dbraw/zinc/51/67/62/822516762.db2.gz WKIOIOVEPIIJLM-GOSISDBHSA-N 1 1 379.460 4.097 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@H](C)c2cccnc2)cc(Br)c1OC ZINC000183723147 822516862 /nfs/dbraw/zinc/51/68/62/822516862.db2.gz CDUPDMNLGOEOIM-CYBMUJFWSA-N 1 1 379.298 4.444 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C(=O)N(C)C)c3ccccc3)CC2)c(C)c1 ZINC000046780629 822516855 /nfs/dbraw/zinc/51/68/55/822516855.db2.gz VUZOPLNUQNCQFT-JOCHJYFZSA-N 1 1 378.516 4.028 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000179639594 822517892 /nfs/dbraw/zinc/51/78/92/822517892.db2.gz DKPYPDJJAVWAJF-INIZCTEOSA-N 1 1 380.517 4.124 20 0 GIADMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cncc(Br)c1 ZINC000183733707 822518468 /nfs/dbraw/zinc/51/84/68/822518468.db2.gz GPQKZLNQXHWDFR-HOTGVXAUSA-N 1 1 388.353 4.090 20 0 GIADMO Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000179646135 822519160 /nfs/dbraw/zinc/51/91/60/822519160.db2.gz FTJPXALTZJZKHL-UHFFFAOYSA-N 1 1 381.451 4.020 20 0 GIADMO CCOC(=O)c1sc2nc(C[NH2+][C@@H](C)c3cccc(C)c3C)nc(N)c2c1C ZINC000183735754 822519200 /nfs/dbraw/zinc/51/92/00/822519200.db2.gz KRMODXCSJPPUMS-AWEZNQCLSA-N 1 1 398.532 4.226 20 0 GIADMO COc1ccc([C@@H](CN[C@@H](c2ccco2)c2ccccc2)[NH+](C)C)cc1OC ZINC000183740057 822520122 /nfs/dbraw/zinc/52/01/22/822520122.db2.gz NFRNIWALVUHPMR-AUSIDOKSSA-N 1 1 380.488 4.279 20 0 GIADMO O=C(NCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)c1ccccc1 ZINC000183740429 822520148 /nfs/dbraw/zinc/52/01/48/822520148.db2.gz PBCYXGFKZJAWSX-LJQANCHMSA-N 1 1 399.288 4.151 20 0 GIADMO COc1ccc([C@H](CN[C@@H](c2ccco2)c2ccccc2)[NH+](C)C)cc1OC ZINC000183740037 822520213 /nfs/dbraw/zinc/52/02/13/822520213.db2.gz NFRNIWALVUHPMR-WMZHIEFXSA-N 1 1 380.488 4.279 20 0 GIADMO C[C@H]([NH2+]Cc1csc(C2CCCC2)n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179651373 822520188 /nfs/dbraw/zinc/52/01/88/822520188.db2.gz CBWGFJWBAYKRSE-HNNXBMFYSA-N 1 1 399.560 4.309 20 0 GIADMO C[C@@H]([NH2+]Cc1csc(C2CCCC2)n1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179651388 822520200 /nfs/dbraw/zinc/52/02/00/822520200.db2.gz CBWGFJWBAYKRSE-OAHLLOKOSA-N 1 1 399.560 4.309 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CCc3ccncc3)c2)cc1 ZINC000183757751 822523257 /nfs/dbraw/zinc/52/32/57/822523257.db2.gz GSMKVFYHHLHTBJ-UHFFFAOYSA-N 1 1 375.472 4.017 20 0 GIADMO CC(C)Oc1ccc(NC(=O)NCCCC[N@@H+](C)C2CC2)c(C(F)(F)F)c1 ZINC000454722656 822523530 /nfs/dbraw/zinc/52/35/30/822523530.db2.gz ADCUWKLKILUHNB-UHFFFAOYSA-N 1 1 387.446 4.489 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1cccc(C(F)(F)F)c1 ZINC000179669902 822523563 /nfs/dbraw/zinc/52/35/63/822523563.db2.gz VDINEIYXMYWUJZ-LJQANCHMSA-N 1 1 389.421 4.439 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)c1 ZINC000183762550 822524220 /nfs/dbraw/zinc/52/42/20/822524220.db2.gz CDUMJSOJRDQMOM-LLVKDONJSA-N 1 1 380.275 4.241 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000183764040 822524775 /nfs/dbraw/zinc/52/47/75/822524775.db2.gz PLCHBOLEBYTJFF-GHMZBOCLSA-N 1 1 383.241 4.445 20 0 GIADMO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)c1 ZINC000183766100 822525204 /nfs/dbraw/zinc/52/52/04/822525204.db2.gz ORTHSWOCBDGPFC-GFCCVEGCSA-N 1 1 394.302 4.032 20 0 GIADMO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(F)ccc3F)CC[N@H+]2C2CC2)c1 ZINC000183767895 822525476 /nfs/dbraw/zinc/52/54/76/822525476.db2.gz LQUJTLFTKURFEH-ICSRJNTNSA-N 1 1 387.430 4.073 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2cccs2)cc1OC(F)F ZINC000179680460 822525855 /nfs/dbraw/zinc/52/58/55/822525855.db2.gz ZUHCQBXEAAWPCA-UHFFFAOYSA-N 1 1 393.459 4.391 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000179681770 822526362 /nfs/dbraw/zinc/52/63/62/822526362.db2.gz STYBFPXFKXQTKU-FUHWJXTLSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179681770 822526365 /nfs/dbraw/zinc/52/63/65/822526365.db2.gz STYBFPXFKXQTKU-FUHWJXTLSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179681770 822526366 /nfs/dbraw/zinc/52/63/66/822526366.db2.gz STYBFPXFKXQTKU-FUHWJXTLSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000179681781 822526374 /nfs/dbraw/zinc/52/63/74/822526374.db2.gz STYBFPXFKXQTKU-SJLPKXTDSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179681781 822526376 /nfs/dbraw/zinc/52/63/76/822526376.db2.gz STYBFPXFKXQTKU-SJLPKXTDSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179681781 822526378 /nfs/dbraw/zinc/52/63/78/822526378.db2.gz STYBFPXFKXQTKU-SJLPKXTDSA-N 1 1 384.524 4.202 20 0 GIADMO Cc1cc2c(cc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)OCO2 ZINC000183799209 822529571 /nfs/dbraw/zinc/52/95/71/822529571.db2.gz WCPIFJMFOYCROI-MJGOQNOKSA-N 1 1 395.503 4.241 20 0 GIADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000179700639 822530302 /nfs/dbraw/zinc/53/03/02/822530302.db2.gz SREZJDOIOHGLFB-HNNXBMFYSA-N 1 1 398.251 4.144 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000179700639 822530306 /nfs/dbraw/zinc/53/03/06/822530306.db2.gz SREZJDOIOHGLFB-HNNXBMFYSA-N 1 1 398.251 4.144 20 0 GIADMO CSCC1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000454767513 822530411 /nfs/dbraw/zinc/53/04/11/822530411.db2.gz KYOFABWTAHVJMQ-PPXMBRMGSA-N 1 1 389.609 4.118 20 0 GIADMO CCOc1cc(Cl)ccc1C[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000183809370 822530659 /nfs/dbraw/zinc/53/06/59/822530659.db2.gz CLTZDHLNPVUTGE-AWEZNQCLSA-N 1 1 377.868 4.141 20 0 GIADMO CCC[N@H+](CCc1cccs1)Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000183812663 822530821 /nfs/dbraw/zinc/53/08/21/822530821.db2.gz YLLFNPNXNPRCHF-UHFFFAOYSA-N 1 1 387.578 4.470 20 0 GIADMO CCC[N@@H+](CCc1cccs1)Cn1nc(-c2ccccn2)n(CC)c1=S ZINC000183812663 822530823 /nfs/dbraw/zinc/53/08/23/822530823.db2.gz YLLFNPNXNPRCHF-UHFFFAOYSA-N 1 1 387.578 4.470 20 0 GIADMO CC(C)c1cnc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)s1 ZINC000183818158 822531346 /nfs/dbraw/zinc/53/13/46/822531346.db2.gz VEIWAJNNUQELCH-OAHLLOKOSA-N 1 1 395.475 4.153 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454777951 822532220 /nfs/dbraw/zinc/53/22/20/822532220.db2.gz VEJCZFUGIBWNNP-DKKFBQAASA-N 1 1 397.485 4.269 20 0 GIADMO O=C(CCc1ccc2[nH]ccc2c1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000179708247 822532171 /nfs/dbraw/zinc/53/21/71/822532171.db2.gz PGKZIHXOTBXKFG-UHFFFAOYSA-N 1 1 395.934 4.488 20 0 GIADMO O=C(CCc1ccc2[nH]ccc2c1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000179708247 822532174 /nfs/dbraw/zinc/53/21/74/822532174.db2.gz PGKZIHXOTBXKFG-UHFFFAOYSA-N 1 1 395.934 4.488 20 0 GIADMO CC[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1OC(F)F ZINC000179715602 822533660 /nfs/dbraw/zinc/53/36/60/822533660.db2.gz LSQWVEZRGFCZRU-OAHLLOKOSA-N 1 1 393.821 4.190 20 0 GIADMO CC(C)c1ccc(-c2noc(CCC(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)n2)cc1 ZINC000046952583 822533676 /nfs/dbraw/zinc/53/36/76/822533676.db2.gz NEJIZNRHOARSOB-ROUUACIJSA-N 1 1 398.551 4.029 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC000046980579 822534845 /nfs/dbraw/zinc/53/48/45/822534845.db2.gz CLSNHYBHGHTSPC-KRWDZBQOSA-N 1 1 390.483 4.097 20 0 GIADMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cccc(CSCc4ccccc4)c3)C[C@@H]21 ZINC000454792330 822535103 /nfs/dbraw/zinc/53/51/03/822535103.db2.gz IJHAEOXDHXLAOW-CTNGQTDRSA-N 1 1 381.545 4.288 20 0 GIADMO COCc1c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)sc2cccc(F)c21 ZINC000046991392 822536277 /nfs/dbraw/zinc/53/62/77/822536277.db2.gz JVLDUEFPGNFTTF-HNNXBMFYSA-N 1 1 392.540 4.429 20 0 GIADMO C[C@@H](c1ccc(NC(=O)NC[C@@H]2CCCCC2(F)F)cc1)[NH+]1CCOCC1 ZINC000454816749 822539921 /nfs/dbraw/zinc/53/99/21/822539921.db2.gz UCQCFZDVXHSVDH-RDJZCZTQSA-N 1 1 381.467 4.027 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000179740988 822540319 /nfs/dbraw/zinc/54/03/19/822540319.db2.gz WVOVQRXTHYSVST-GOSISDBHSA-N 1 1 397.519 4.007 20 0 GIADMO Fc1ccc(-n2ccc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)n2)cc1 ZINC000179748616 822541959 /nfs/dbraw/zinc/54/19/59/822541959.db2.gz RXYOLNTUBSEWAB-QFIPXVFZSA-N 1 1 379.435 4.024 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000179753851 822543416 /nfs/dbraw/zinc/54/34/16/822543416.db2.gz GYENKKMIGNJWQD-QGZVFWFLSA-N 1 1 393.487 4.487 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C(F)F)c1 ZINC000179753891 822543616 /nfs/dbraw/zinc/54/36/16/822543616.db2.gz ZMEBVLBJQGMACF-LJQANCHMSA-N 1 1 388.458 4.457 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000183915353 822545619 /nfs/dbraw/zinc/54/56/19/822545619.db2.gz BIVZPOACDNHYOH-HXUWFJFHSA-N 1 1 393.556 4.376 20 0 GIADMO CCSCc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000454851073 822545766 /nfs/dbraw/zinc/54/57/66/822545766.db2.gz HJIGLPVLYZXZSM-YOFSQIOKSA-N 1 1 391.581 4.045 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000179761659 822545820 /nfs/dbraw/zinc/54/58/20/822545820.db2.gz NINSOVVXLAWWLW-KRWDZBQOSA-N 1 1 393.487 4.487 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+](C)C[C@H](C)c3nccs3)cs2)cc1 ZINC000183922182 822547179 /nfs/dbraw/zinc/54/71/79/822547179.db2.gz QMNREBARYBNUDZ-ZDUSSCGKSA-N 1 1 387.530 4.289 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)C[C@H](C)c3nccs3)cs2)cc1 ZINC000183922182 822547181 /nfs/dbraw/zinc/54/71/81/822547181.db2.gz QMNREBARYBNUDZ-ZDUSSCGKSA-N 1 1 387.530 4.289 20 0 GIADMO Fc1cccc(-c2cnc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)o2)c1 ZINC000179765676 822547473 /nfs/dbraw/zinc/54/74/73/822547473.db2.gz UNBNJOPBXVDGIC-QFIPXVFZSA-N 1 1 380.419 4.493 20 0 GIADMO C[C@H](C[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1nccs1 ZINC000183925978 822548226 /nfs/dbraw/zinc/54/82/26/822548226.db2.gz IAHNINAWUCOWCJ-VXGBXAGGSA-N 1 1 387.578 4.090 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1nccs1 ZINC000183925978 822548229 /nfs/dbraw/zinc/54/82/29/822548229.db2.gz IAHNINAWUCOWCJ-VXGBXAGGSA-N 1 1 387.578 4.090 20 0 GIADMO C[C@@H](C[N@@H+](C)Cc1cc2c(cc1Br)OCCCO2)c1nccs1 ZINC000183929966 822548978 /nfs/dbraw/zinc/54/89/78/822548978.db2.gz HIYKRMAZTPLPTB-LBPRGKRZSA-N 1 1 397.338 4.302 20 0 GIADMO CC(C)n1ncc2cc(CN3CCC[N@H+](C4CCCC4)CC3)c(Cl)nc21 ZINC000179769240 822549030 /nfs/dbraw/zinc/54/90/30/822549030.db2.gz JUQVETPMWMOXEK-UHFFFAOYSA-N 1 1 375.948 4.116 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)s1 ZINC000183938704 822550536 /nfs/dbraw/zinc/55/05/36/822550536.db2.gz BGHVWWMHDQCOCL-UHFFFAOYSA-N 1 1 386.348 4.242 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(Br)ccc1Cl ZINC000047174558 822551122 /nfs/dbraw/zinc/55/11/22/822551122.db2.gz MJVXDPZSEUFUCA-UHFFFAOYSA-N 1 1 391.656 4.244 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000047174526 822551134 /nfs/dbraw/zinc/55/11/34/822551134.db2.gz WRIRXILJEAXLIZ-UHFFFAOYSA-N 1 1 375.457 4.260 20 0 GIADMO Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179781085 822551734 /nfs/dbraw/zinc/55/17/34/822551734.db2.gz GHAPFJRRMSJLOB-INIZCTEOSA-N 1 1 385.309 4.180 20 0 GIADMO CCOCc1cc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC ZINC000179784851 822552342 /nfs/dbraw/zinc/55/23/42/822552342.db2.gz ZZMIEWUQAMTIGP-UHFFFAOYSA-N 1 1 392.540 4.063 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1OC)c1cc(F)ccc1F ZINC000179785362 822552503 /nfs/dbraw/zinc/55/25/03/822552503.db2.gz BDIZDXCNVQGBTF-SJCJKPOMSA-N 1 1 378.419 4.050 20 0 GIADMO CCSc1cccc(NC(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)c1 ZINC000179798016 822554780 /nfs/dbraw/zinc/55/47/80/822554780.db2.gz YBJMDSILGSJDOP-UHFFFAOYSA-N 1 1 393.597 4.401 20 0 GIADMO C[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000454932217 822559224 /nfs/dbraw/zinc/55/92/24/822559224.db2.gz WPKHORCDLXIIIO-IOHIJNGWSA-N 1 1 375.944 4.352 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000047275640 822561014 /nfs/dbraw/zinc/56/10/14/822561014.db2.gz DWJAEJTYVPMBQG-UHFFFAOYSA-N 1 1 389.484 4.184 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cn1 ZINC000047275976 822561241 /nfs/dbraw/zinc/56/12/41/822561241.db2.gz SDDXRJIXSVUPCF-UHFFFAOYSA-N 1 1 387.443 4.192 20 0 GIADMO C[C@H](C[N@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1nccs1 ZINC000184002165 822561861 /nfs/dbraw/zinc/56/18/61/822561861.db2.gz IASCCGBGOOAXMN-LLVKDONJSA-N 1 1 382.411 4.447 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1nccs1 ZINC000184002165 822561862 /nfs/dbraw/zinc/56/18/62/822561862.db2.gz IASCCGBGOOAXMN-LLVKDONJSA-N 1 1 382.411 4.447 20 0 GIADMO CSc1ncc(Cl)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000047283506 822561951 /nfs/dbraw/zinc/56/19/51/822561951.db2.gz JSTUTUNWXYPENQ-CYBMUJFWSA-N 1 1 390.940 4.336 20 0 GIADMO C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(Oc2cccnc2)cc1 ZINC000454951591 822562371 /nfs/dbraw/zinc/56/23/71/822562371.db2.gz AYQRTATYKXEMSU-KRWDZBQOSA-N 1 1 382.508 4.109 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1 ZINC000184006021 822562489 /nfs/dbraw/zinc/56/24/89/822562489.db2.gz QOSZUCJPUAKBMJ-JTQLQIEISA-N 1 1 391.846 4.489 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1 ZINC000184006021 822562490 /nfs/dbraw/zinc/56/24/90/822562490.db2.gz QOSZUCJPUAKBMJ-JTQLQIEISA-N 1 1 391.846 4.489 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)cn1 ZINC000184017554 822565005 /nfs/dbraw/zinc/56/50/05/822565005.db2.gz YQRHAXNPQZBWTC-AOMKIAJQSA-N 1 1 389.503 4.089 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000047326736 822566894 /nfs/dbraw/zinc/56/68/94/822566894.db2.gz MHEMEJJBCCAPRS-UHFFFAOYSA-N 1 1 394.319 4.441 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)cn1 ZINC000179862157 822567992 /nfs/dbraw/zinc/56/79/92/822567992.db2.gz YNHVEHPRRRCJRH-HNNXBMFYSA-N 1 1 382.895 4.114 20 0 GIADMO CSc1ccccc1NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047337562 822568465 /nfs/dbraw/zinc/56/84/65/822568465.db2.gz QNJRVVGVUPDFCI-UHFFFAOYSA-N 1 1 391.487 4.473 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000047357731 822570538 /nfs/dbraw/zinc/57/05/38/822570538.db2.gz KNDGDUVYNVUUNH-UHFFFAOYSA-N 1 1 375.904 4.047 20 0 GIADMO CC(C)c1csc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC000047380565 822572851 /nfs/dbraw/zinc/57/28/51/822572851.db2.gz APPQGCXDCOUOQV-UHFFFAOYSA-N 1 1 394.491 4.331 20 0 GIADMO Cc1nc([C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccc(Cl)cc2)no1 ZINC000179895536 822572987 /nfs/dbraw/zinc/57/29/87/822572987.db2.gz JVSNBJZTSMJVJU-RTWAWAEBSA-N 1 1 396.922 4.375 20 0 GIADMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ncccc1C(F)(F)F ZINC000179896799 822573190 /nfs/dbraw/zinc/57/31/90/822573190.db2.gz UNRMSTVXFJBDEF-INIZCTEOSA-N 1 1 397.828 4.321 20 0 GIADMO O=C(Nc1nc(C2CC2)cs1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047388445 822573738 /nfs/dbraw/zinc/57/37/38/822573738.db2.gz IJPRUKTVPMKLHD-UHFFFAOYSA-N 1 1 392.475 4.085 20 0 GIADMO C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C(=O)c1ccc(Cl)cc1 ZINC000179918504 822576847 /nfs/dbraw/zinc/57/68/47/822576847.db2.gz YQDZRMRZEQDVAW-SJORKVTESA-N 1 1 378.944 4.320 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1F ZINC000179925080 822578135 /nfs/dbraw/zinc/57/81/35/822578135.db2.gz JZKVXJTXBLYINB-SNVBAGLBSA-N 1 1 399.235 4.025 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000179925863 822578390 /nfs/dbraw/zinc/57/83/90/822578390.db2.gz FLYCXLAXQCSOEY-MRXNPFEDSA-N 1 1 385.483 4.114 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000455055338 822581729 /nfs/dbraw/zinc/58/17/29/822581729.db2.gz VOIWWJQDNNBOGO-IWFBPKFRSA-N 1 1 383.561 4.234 20 0 GIADMO C[C@H](F)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000455056516 822581873 /nfs/dbraw/zinc/58/18/73/822581873.db2.gz QLHVPOZQLVRYHW-LBPRGKRZSA-N 1 1 376.303 4.005 20 0 GIADMO COc1ccc(F)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C)cc1Br ZINC000179948589 822583742 /nfs/dbraw/zinc/58/37/42/822583742.db2.gz DIDTXJXISFIWJC-LBPRGKRZSA-N 1 1 395.272 4.195 20 0 GIADMO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2Br)n1 ZINC000184142584 822584944 /nfs/dbraw/zinc/58/49/44/822584944.db2.gz WFPVXZFERRIEFG-RYUDHWBXSA-N 1 1 382.327 4.200 20 0 GIADMO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000184149110 822585930 /nfs/dbraw/zinc/58/59/30/822585930.db2.gz PBSZWFDMJZXUDN-NWDGAFQWSA-N 1 1 382.327 4.200 20 0 GIADMO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539972 822588514 /nfs/dbraw/zinc/58/85/14/822588514.db2.gz MQJXJPXLWAKQDB-MRXNPFEDSA-N 1 1 397.519 4.156 20 0 GIADMO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000047544218 822589082 /nfs/dbraw/zinc/58/90/82/822589082.db2.gz SVNIGETZWLAPNS-DYESRHJHSA-N 1 1 397.519 4.047 20 0 GIADMO Cc1csc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000184169097 822589924 /nfs/dbraw/zinc/58/99/24/822589924.db2.gz DWDGSDHYYNEGKO-INIZCTEOSA-N 1 1 386.542 4.444 20 0 GIADMO NC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccc2Br)cc1 ZINC000179983681 822590493 /nfs/dbraw/zinc/59/04/93/822590493.db2.gz SACOWDIECXBJBZ-FQEVSTJZSA-N 1 1 395.300 4.427 20 0 GIADMO CC(F)(F)CCNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000455119478 822591703 /nfs/dbraw/zinc/59/17/03/822591703.db2.gz QSMWLKXKVOPYAL-QGZVFWFLSA-N 1 1 393.503 4.192 20 0 GIADMO CC(F)(F)CCNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000455119478 822591704 /nfs/dbraw/zinc/59/17/04/822591704.db2.gz QSMWLKXKVOPYAL-QGZVFWFLSA-N 1 1 393.503 4.192 20 0 GIADMO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccc(OC)cc1 ZINC000179989645 822591814 /nfs/dbraw/zinc/59/18/14/822591814.db2.gz DVVWCYBDEIBBKI-IBGZPJMESA-N 1 1 381.451 4.138 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047588565 822594628 /nfs/dbraw/zinc/59/46/28/822594628.db2.gz ZPYNDYCSEQWVMN-CALCHBBNSA-N 1 1 391.515 4.016 20 0 GIADMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180011455 822595981 /nfs/dbraw/zinc/59/59/81/822595981.db2.gz HZSOXUYPXINELP-DLBZAZTESA-N 1 1 387.549 4.194 20 0 GIADMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180011455 822595984 /nfs/dbraw/zinc/59/59/84/822595984.db2.gz HZSOXUYPXINELP-DLBZAZTESA-N 1 1 387.549 4.194 20 0 GIADMO Cc1cc(Br)c(F)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000455144862 822596334 /nfs/dbraw/zinc/59/63/34/822596334.db2.gz FJNFYXUWVSYUCT-GFCCVEGCSA-N 1 1 398.320 4.235 20 0 GIADMO Clc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccc5nccn54)C3)n2)cc1 ZINC000180014252 822596639 /nfs/dbraw/zinc/59/66/39/822596639.db2.gz AEICLWKWTUJZOK-MRXNPFEDSA-N 1 1 393.878 4.417 20 0 GIADMO CCC(CC)[N@H+](Cn1nc([C@@H]2COc3ccccc3O2)n(C)c1=S)C1CC1 ZINC000047625664 822597862 /nfs/dbraw/zinc/59/78/62/822597862.db2.gz RLBZMHFCOWQGNF-SFHVURJKSA-N 1 1 388.537 4.074 20 0 GIADMO CCC(CC)[N@@H+](Cn1nc([C@@H]2COc3ccccc3O2)n(C)c1=S)C1CC1 ZINC000047625664 822597864 /nfs/dbraw/zinc/59/78/64/822597864.db2.gz RLBZMHFCOWQGNF-SFHVURJKSA-N 1 1 388.537 4.074 20 0 GIADMO COc1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC(C)C ZINC000184218578 822597895 /nfs/dbraw/zinc/59/78/95/822597895.db2.gz FBOWVKDKIZQZDM-IAGOWNOFSA-N 1 1 389.540 4.257 20 0 GIADMO CNC(=O)c1ccc(C[N@H+](Cc2csc(Br)c2)C2CC2)cc1 ZINC000047687893 822599829 /nfs/dbraw/zinc/59/98/29/822599829.db2.gz VMUZNWWXASKZQS-UHFFFAOYSA-N 1 1 379.323 4.035 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2csc(Br)c2)C2CC2)cc1 ZINC000047687893 822599833 /nfs/dbraw/zinc/59/98/33/822599833.db2.gz VMUZNWWXASKZQS-UHFFFAOYSA-N 1 1 379.323 4.035 20 0 GIADMO O=C(NCC[NH2+][C@@H](c1ccccc1)c1ccccc1Br)c1ccco1 ZINC000180032544 822601392 /nfs/dbraw/zinc/60/13/92/822601392.db2.gz ILKOYVCSHIZQQK-IBGZPJMESA-N 1 1 399.288 4.151 20 0 GIADMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc4c(cccc4F)n3CC)ccc2NC1=O ZINC000180034115 822601603 /nfs/dbraw/zinc/60/16/03/822601603.db2.gz VTHIRRNZFRTYJB-UGSOOPFHSA-N 1 1 396.466 4.156 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(Br)c2Cl)C1 ZINC000184245850 822602145 /nfs/dbraw/zinc/60/21/45/822602145.db2.gz OPHSCDCAONDLJB-ZDUSSCGKSA-N 1 1 387.749 4.200 20 0 GIADMO c1ccc(CC[C@@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)cc1 ZINC000184246229 822602325 /nfs/dbraw/zinc/60/23/25/822602325.db2.gz DIFFUEIUNAOUBD-JOCHJYFZSA-N 1 1 375.472 4.103 20 0 GIADMO c1ccc(CC[C@@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)cc1 ZINC000184246229 822602328 /nfs/dbraw/zinc/60/23/28/822602328.db2.gz DIFFUEIUNAOUBD-JOCHJYFZSA-N 1 1 375.472 4.103 20 0 GIADMO C[C@H](CC(=O)Nc1cccnc1Cl)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000180061623 822606727 /nfs/dbraw/zinc/60/67/27/822606727.db2.gz LKYOWVRUSFJBCA-GFCCVEGCSA-N 1 1 383.883 4.328 20 0 GIADMO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000184271713 822606728 /nfs/dbraw/zinc/60/67/28/822606728.db2.gz JQYDZJUXVOIJRP-DLBZAZTESA-N 1 1 379.529 4.396 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@@H](C)c2nccs2)cs1)c1ccc(C)cc1 ZINC000184291639 822609645 /nfs/dbraw/zinc/60/96/45/822609645.db2.gz JCXOEOLUDPXWMU-CQSZACIVSA-N 1 1 386.546 4.486 20 0 GIADMO O=S(=O)(c1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1)N1CCCC1 ZINC000047824492 822612765 /nfs/dbraw/zinc/61/27/65/822612765.db2.gz ZLIBMAHZFLIFAF-UHFFFAOYSA-N 1 1 399.343 4.068 20 0 GIADMO Clc1ccccc1[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000180094803 822614222 /nfs/dbraw/zinc/61/42/22/822614222.db2.gz BADJVLHPXRXTKR-QMHKHESXSA-N 1 1 398.934 4.275 20 0 GIADMO COC(=O)c1oc(C[NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)cc1C ZINC000180095178 822614307 /nfs/dbraw/zinc/61/43/07/822614307.db2.gz UAAFHXUZMQJSDW-OAHLLOKOSA-N 1 1 375.465 4.269 20 0 GIADMO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(OC)cc1 ZINC000180108734 822617032 /nfs/dbraw/zinc/61/70/32/822617032.db2.gz QPHAWJQUDOXAPE-UWJYYQICSA-N 1 1 386.561 4.279 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(Cl)s1)[NH+](C)C ZINC000047914176 822619046 /nfs/dbraw/zinc/61/90/46/822619046.db2.gz MAZRULREKOJECW-GXTWGEPZSA-N 1 1 381.929 4.073 20 0 GIADMO COc1ccc(OC(F)F)c(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000047915048 822619084 /nfs/dbraw/zinc/61/90/84/822619084.db2.gz HOVNDFRGOISQBZ-CQSZACIVSA-N 1 1 385.455 4.073 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(SC)cc1)[NH+](C)C ZINC000047914699 822619145 /nfs/dbraw/zinc/61/91/45/822619145.db2.gz GKLSGPKFHRFMPA-DNVCBOLYSA-N 1 1 387.549 4.080 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000180123442 822620055 /nfs/dbraw/zinc/62/00/55/822620055.db2.gz XUECIOMRYKMVGX-GOTSBHOMSA-N 1 1 399.494 4.114 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)c1 ZINC000047960080 822622806 /nfs/dbraw/zinc/62/28/06/822622806.db2.gz VZHWDOLZELLAKO-SFHVURJKSA-N 1 1 381.520 4.109 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC(c2ccccc2C)c2ccccc2C)C1 ZINC000184369478 822623490 /nfs/dbraw/zinc/62/34/90/822623490.db2.gz HFGQFEQQDOFVPO-FQEVSTJZSA-N 1 1 379.548 4.376 20 0 GIADMO Cc1cncc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000184372565 822623907 /nfs/dbraw/zinc/62/39/07/822623907.db2.gz WFZWGBTVLFQKCP-JTSKRJEESA-N 1 1 380.513 4.234 20 0 GIADMO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCC[C@H](C)C4)CC3)co2)cc1 ZINC000048047334 822626668 /nfs/dbraw/zinc/62/66/68/822626668.db2.gz YSLCLNHCDQHRRE-SFHVURJKSA-N 1 1 381.520 4.121 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](CC)c2nc(C)cs2)cc1 ZINC000184397152 822627980 /nfs/dbraw/zinc/62/79/80/822627980.db2.gz CBBQFPIKFHXIPT-MOPGFXCFSA-N 1 1 387.549 4.255 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccnc1 ZINC000048067529 822628944 /nfs/dbraw/zinc/62/89/44/822628944.db2.gz HPTPVMKLUKLUKL-OTWHNJEPSA-N 1 1 380.536 4.120 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000048072489 822629240 /nfs/dbraw/zinc/62/92/40/822629240.db2.gz PLAFLDATECQYCF-GOSISDBHSA-N 1 1 395.528 4.202 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2ncoc2-c2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000180166874 822631030 /nfs/dbraw/zinc/63/10/30/822631030.db2.gz YPOKQEMWYMWKOQ-MJGOQNOKSA-N 1 1 381.863 4.170 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1c1ccccc1 ZINC000180194445 822636689 /nfs/dbraw/zinc/63/66/89/822636689.db2.gz SPBNJGSPNULZFF-CTNGQTDRSA-N 1 1 395.890 4.099 20 0 GIADMO Cc1nc2cc(Cl)c(NC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2s1 ZINC000455351798 822638496 /nfs/dbraw/zinc/63/84/96/822638496.db2.gz IEOOTNANHYNCOA-GOSISDBHSA-N 1 1 378.929 4.208 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCc1ccc(Cl)cc1 ZINC000184457505 822638759 /nfs/dbraw/zinc/63/87/59/822638759.db2.gz GJEWJEZJWCYEDV-OLZOCXBDSA-N 1 1 379.957 4.450 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000184457750 822638791 /nfs/dbraw/zinc/63/87/91/822638791.db2.gz OWCDQEKNAHABSY-HUUCEWRRSA-N 1 1 398.576 4.320 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000184465927 822640747 /nfs/dbraw/zinc/64/07/47/822640747.db2.gz WCLRUMQBIIPYPT-KRWDZBQOSA-N 1 1 378.538 4.014 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cs1 ZINC000184479087 822642968 /nfs/dbraw/zinc/64/29/68/822642968.db2.gz FJQOFZWCPULYOT-MRXNPFEDSA-N 1 1 388.533 4.372 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cs1 ZINC000184479087 822642969 /nfs/dbraw/zinc/64/29/69/822642969.db2.gz FJQOFZWCPULYOT-MRXNPFEDSA-N 1 1 388.533 4.372 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N1CCc2sccc2C1 ZINC000184483727 822643660 /nfs/dbraw/zinc/64/36/60/822643660.db2.gz HGWWHOAYWNHRGE-STQMWFEESA-N 1 1 377.579 4.126 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000184486613 822644290 /nfs/dbraw/zinc/64/42/90/822644290.db2.gz RIQLMTAGDWIENC-HXUWFJFHSA-N 1 1 394.515 4.493 20 0 GIADMO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180245465 822647509 /nfs/dbraw/zinc/64/75/09/822647509.db2.gz GAJVJQVTCLAULE-DQEYMECFSA-N 1 1 378.560 4.176 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(-c4ccc(Cl)s4)nc3)C2)C1 ZINC000455408179 822648105 /nfs/dbraw/zinc/64/81/05/822648105.db2.gz JVLQNQJFJFSTGJ-SFHVURJKSA-N 1 1 376.913 4.023 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1nc(-c2ccccc2)cs1 ZINC000184538246 822653593 /nfs/dbraw/zinc/65/35/93/822653593.db2.gz GZVSYCCNGIROSO-UKRRQHHQSA-N 1 1 397.466 4.262 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000184546611 822655028 /nfs/dbraw/zinc/65/50/28/822655028.db2.gz MAZNDURXWNDHNS-CYBMUJFWSA-N 1 1 396.541 4.347 20 0 GIADMO CC(C)[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000455443619 822655151 /nfs/dbraw/zinc/65/51/51/822655151.db2.gz IKZNCJKCKNOQCM-FBVQUNGASA-N 1 1 383.458 4.327 20 0 GIADMO C[C@H](CC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000048359057 822655583 /nfs/dbraw/zinc/65/55/83/822655583.db2.gz BKMFLKCEAMVPRV-AQNXPRMDSA-N 1 1 380.532 4.106 20 0 GIADMO C[C@H](CC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000048359057 822655586 /nfs/dbraw/zinc/65/55/86/822655586.db2.gz BKMFLKCEAMVPRV-AQNXPRMDSA-N 1 1 380.532 4.106 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184559115 822657409 /nfs/dbraw/zinc/65/74/09/822657409.db2.gz WKULXGMSBTYBHJ-RTWAWAEBSA-N 1 1 397.567 4.030 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000048390457 822658908 /nfs/dbraw/zinc/65/89/08/822658908.db2.gz LNOFSHMBJFYNOP-GOSISDBHSA-N 1 1 388.899 4.113 20 0 GIADMO Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1NC(=O)c1ccccc1 ZINC000048397366 822659202 /nfs/dbraw/zinc/65/92/02/822659202.db2.gz OCBNLUVKXJTQIE-IBGZPJMESA-N 1 1 393.531 4.242 20 0 GIADMO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n(Cc2ccccc2)n1 ZINC000180300012 822659404 /nfs/dbraw/zinc/65/94/04/822659404.db2.gz WOPCCZVLNIKILJ-UYAOXDASSA-N 1 1 395.551 4.014 20 0 GIADMO C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000455482505 822663036 /nfs/dbraw/zinc/66/30/36/822663036.db2.gz WIGAHCZUCRIQFD-KGLIBXPVSA-N 1 1 395.469 4.423 20 0 GIADMO Cc1cc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1-c1ccncc1 ZINC000455484322 822663389 /nfs/dbraw/zinc/66/33/89/822663389.db2.gz FYZYWLJXJXXOJJ-UHFFFAOYSA-N 1 1 386.499 4.407 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3C)CC2)[nH+]1 ZINC000455485011 822663576 /nfs/dbraw/zinc/66/35/76/822663576.db2.gz HMCAVAMMKWPOAH-UHFFFAOYSA-N 1 1 391.475 4.144 20 0 GIADMO C[N@@H+](CCCNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)Cc1ccccc1 ZINC000184607747 822665100 /nfs/dbraw/zinc/66/51/00/822665100.db2.gz CHYMRHAVWYRARN-UHFFFAOYSA-N 1 1 397.519 4.130 20 0 GIADMO Cn1cc([C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2cccc(F)c2)cn1 ZINC000180337088 822665822 /nfs/dbraw/zinc/66/58/22/822665822.db2.gz UQUJPOOZYPENKE-HTAPYJJXSA-N 1 1 398.551 4.212 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cs1)c1ccc(F)cc1 ZINC000180370162 822671439 /nfs/dbraw/zinc/67/14/39/822671439.db2.gz LDLHVBYKMYQGEI-QGZVFWFLSA-N 1 1 391.512 4.403 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(F)cc(F)c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455554339 822674037 /nfs/dbraw/zinc/67/40/37/822674037.db2.gz PRIGCPUNRUOBAG-UKRRQHHQSA-N 1 1 377.410 4.136 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(F)cc(F)c1F ZINC000455563065 822675042 /nfs/dbraw/zinc/67/50/42/822675042.db2.gz IFPHSGRLLBVUCF-MRXNPFEDSA-N 1 1 392.425 4.017 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(F)cc(F)c2F)[C@H]1c1cccs1 ZINC000455567793 822675980 /nfs/dbraw/zinc/67/59/80/822675980.db2.gz PIFXCPDEZOWSNU-DIFFPNOSSA-N 1 1 383.439 4.370 20 0 GIADMO CCCCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000180431852 822680736 /nfs/dbraw/zinc/68/07/36/822680736.db2.gz JWKJVPIVCMIWPA-UHFFFAOYSA-N 1 1 385.321 4.107 20 0 GIADMO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2ccc(F)cc2F)cn1 ZINC000048749586 822681183 /nfs/dbraw/zinc/68/11/83/822681183.db2.gz LNBIJJTXRCOQQP-UHFFFAOYSA-N 1 1 386.398 4.459 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000048776595 822682241 /nfs/dbraw/zinc/68/22/41/822682241.db2.gz GWEIRPIPXOHZSR-UHFFFAOYSA-N 1 1 399.498 4.050 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@H](C)O1 ZINC000048816664 822684161 /nfs/dbraw/zinc/68/41/61/822684161.db2.gz YNJNHUOPJZCXTC-CALCHBBNSA-N 1 1 396.560 4.037 20 0 GIADMO COCc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000048826040 822684861 /nfs/dbraw/zinc/68/48/61/822684861.db2.gz FGRIMJNJZDSRHR-IBGZPJMESA-N 1 1 395.547 4.207 20 0 GIADMO CCOCc1ccc(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000048828822 822685098 /nfs/dbraw/zinc/68/50/98/822685098.db2.gz MJDMVJYOBDMDKD-UHFFFAOYSA-N 1 1 383.536 4.063 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1CSC ZINC000184750088 822685815 /nfs/dbraw/zinc/68/58/15/822685815.db2.gz MLUWCGCZJRDGQL-HXUWFJFHSA-N 1 1 398.576 4.463 20 0 GIADMO O=C(Nc1cccc(C2CC2)n1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455625618 822686036 /nfs/dbraw/zinc/68/60/36/822686036.db2.gz MJJLLZPIIRSUAM-HSZRJFAPSA-N 1 1 376.504 4.089 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2sccc2Br)cc1NC(C)=O ZINC000180480269 822688999 /nfs/dbraw/zinc/68/89/99/822688999.db2.gz NSNVSNVCPJUFAR-JTQLQIEISA-N 1 1 383.311 4.328 20 0 GIADMO CC(=O)N(Cc1ccc(NC(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1)C(C)C ZINC000455641229 822689282 /nfs/dbraw/zinc/68/92/82/822689282.db2.gz KGOHQSPKHBXSOW-UHFFFAOYSA-N 1 1 379.464 4.044 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc(C3CC3)n2)CC1 ZINC000455644971 822689905 /nfs/dbraw/zinc/68/99/05/822689905.db2.gz OLMUSQQWYKIUFZ-UHFFFAOYSA-N 1 1 378.520 4.335 20 0 GIADMO Fc1cccc(Br)c1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000180491517 822690586 /nfs/dbraw/zinc/69/05/86/822690586.db2.gz PWGACGGZFJIYMJ-UHFFFAOYSA-N 1 1 389.272 4.011 20 0 GIADMO C[C@H](NC(=O)N[C@H](c1ccccc1)C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455664202 822694761 /nfs/dbraw/zinc/69/47/61/822694761.db2.gz YFSRSUXRDUJDGJ-PWIZWCRZSA-N 1 1 387.474 4.203 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1nc(-c2ccccc2)cs1 ZINC000180529918 822697083 /nfs/dbraw/zinc/69/70/83/822697083.db2.gz OUDMKPCXMYBHLI-AWEZNQCLSA-N 1 1 383.542 4.107 20 0 GIADMO Fc1cccc(Br)c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000180535222 822697871 /nfs/dbraw/zinc/69/78/71/822697871.db2.gz FXYLJHLSTQMXSZ-OAHLLOKOSA-N 1 1 386.305 4.138 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc3c(cn2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000455677172 822698337 /nfs/dbraw/zinc/69/83/37/822698337.db2.gz XJSJODGESRYTMM-LAUBAEHRSA-N 1 1 378.520 4.087 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc(F)cc1F ZINC000180553250 822701056 /nfs/dbraw/zinc/70/10/56/822701056.db2.gz WLXAXXNOFHCFLB-OAHLLOKOSA-N 1 1 376.300 4.326 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CC2(CSc3ccccc3)CC2)cn1 ZINC000184866008 822703186 /nfs/dbraw/zinc/70/31/86/822703186.db2.gz DYPRYRDSQKMRCB-UHFFFAOYSA-N 1 1 392.528 4.155 20 0 GIADMO CCC[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000180566509 822703531 /nfs/dbraw/zinc/70/35/31/822703531.db2.gz DOWOOILKFLNWHO-AXVVYFOYSA-N 1 1 396.934 4.183 20 0 GIADMO CC(=O)Nc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000180583234 822706135 /nfs/dbraw/zinc/70/61/35/822706135.db2.gz BYNYRUMMBSRMDB-QFIPXVFZSA-N 1 1 380.513 4.442 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000455706590 822708375 /nfs/dbraw/zinc/70/83/75/822708375.db2.gz FLMMHYBLTUGBSN-AYHJJNSGSA-N 1 1 384.911 4.361 20 0 GIADMO CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180601577 822709235 /nfs/dbraw/zinc/70/92/35/822709235.db2.gz GSESAOSGHFHCIC-WBVHZDCISA-N 1 1 379.884 4.428 20 0 GIADMO COc1sc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Br ZINC000180602039 822709346 /nfs/dbraw/zinc/70/93/46/822709346.db2.gz QGSUXXZWCBTJPL-RISCZKNCSA-N 1 1 386.311 4.200 20 0 GIADMO COc1sc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Br ZINC000180602039 822709348 /nfs/dbraw/zinc/70/93/48/822709348.db2.gz QGSUXXZWCBTJPL-RISCZKNCSA-N 1 1 386.311 4.200 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2OCCF)C1 ZINC000455709532 822709435 /nfs/dbraw/zinc/70/94/35/822709435.db2.gz CJPFVERYFDOMHQ-ROUUACIJSA-N 1 1 377.504 4.153 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccco1 ZINC000049944416 822712112 /nfs/dbraw/zinc/71/21/12/822712112.db2.gz PDESJVVUOYQWHT-IBGZPJMESA-N 1 1 382.435 4.030 20 0 GIADMO COc1cc(C[N@H+](C)Cc2cc(Br)cn2C)c(SC)cc1OC ZINC000180613829 822712717 /nfs/dbraw/zinc/71/27/17/822712717.db2.gz CZLNYXGYXRNMMS-UHFFFAOYSA-N 1 1 399.354 4.159 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cc(Br)cn2C)c(SC)cc1OC ZINC000180613829 822712718 /nfs/dbraw/zinc/71/27/18/822712718.db2.gz CZLNYXGYXRNMMS-UHFFFAOYSA-N 1 1 399.354 4.159 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000180618901 822713805 /nfs/dbraw/zinc/71/38/05/822713805.db2.gz WCCSKOZFYUBDCQ-LJQANCHMSA-N 1 1 395.576 4.480 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000180618901 822713810 /nfs/dbraw/zinc/71/38/10/822713810.db2.gz WCCSKOZFYUBDCQ-LJQANCHMSA-N 1 1 395.576 4.480 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccccc1OCCF ZINC000455723590 822713935 /nfs/dbraw/zinc/71/39/35/822713935.db2.gz MZICZULESOQBGI-SFHVURJKSA-N 1 1 385.483 4.163 20 0 GIADMO COc1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc(OC)c1OC ZINC000180620946 822714372 /nfs/dbraw/zinc/71/43/72/822714372.db2.gz SBHLCSNGRHTVHY-MSOLQXFVSA-N 1 1 389.492 4.174 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000050026862 822714850 /nfs/dbraw/zinc/71/48/50/822714850.db2.gz AHVBBQSIKDMRPP-OAQYLSRUSA-N 1 1 393.531 4.019 20 0 GIADMO Cc1cc(Cl)c(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000455731418 822716029 /nfs/dbraw/zinc/71/60/29/822716029.db2.gz JISQVNSTVAVFAZ-BBWFWOEESA-N 1 1 379.932 4.062 20 0 GIADMO Cc1cc(Cl)c(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000455731418 822716032 /nfs/dbraw/zinc/71/60/32/822716032.db2.gz JISQVNSTVAVFAZ-BBWFWOEESA-N 1 1 379.932 4.062 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000455734095 822716761 /nfs/dbraw/zinc/71/67/61/822716761.db2.gz XIMNOVNMWIPJCW-GXTWGEPZSA-N 1 1 398.454 4.205 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C)c(C)cc2Cl)[C@@H](C)C1 ZINC000455738134 822717420 /nfs/dbraw/zinc/71/74/20/822717420.db2.gz YSPYNOXHYWZCLQ-FUHWJXTLSA-N 1 1 381.948 4.215 20 0 GIADMO CCCn1ncc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C1CC1 ZINC000455750923 822719592 /nfs/dbraw/zinc/71/95/92/822719592.db2.gz JXUFYHYWSPJHQO-YLJYHZDGSA-N 1 1 395.551 4.345 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)C[C@H]1C ZINC000455753411 822720037 /nfs/dbraw/zinc/72/00/37/822720037.db2.gz PPCCFRIIDADIMB-OLZOCXBDSA-N 1 1 386.309 4.233 20 0 GIADMO C[C@@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000455765647 822722434 /nfs/dbraw/zinc/72/24/34/822722434.db2.gz RODKCAFHGYYAGY-JKSUJKDBSA-N 1 1 398.469 4.116 20 0 GIADMO Cc1cccn2c(=O)cc(C[NH2+][C@@H](c3cccs3)c3ccc(F)cc3)nc12 ZINC000050273324 822723309 /nfs/dbraw/zinc/72/33/09/822723309.db2.gz CPSSGZKOCVCYFT-HXUWFJFHSA-N 1 1 379.460 4.083 20 0 GIADMO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1nc(C)cs1 ZINC000184997306 822723350 /nfs/dbraw/zinc/72/33/50/822723350.db2.gz PKLOXTJBRSZPHU-UONOGXRCSA-N 1 1 383.439 4.317 20 0 GIADMO Cc1nc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(-c2ccccc2)o1 ZINC000185011169 822725083 /nfs/dbraw/zinc/72/50/83/822725083.db2.gz DPRJLKZYXWDOOM-GOSISDBHSA-N 1 1 389.499 4.387 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3c4ccccc4CCC[C@@H]3C)CC2)cs1 ZINC000185027209 822726798 /nfs/dbraw/zinc/72/67/98/822726798.db2.gz BBCVDOVVGNAWTB-KSFYIVLOSA-N 1 1 397.588 4.493 20 0 GIADMO CCc1cc2oc(=O)cc(C[N@@H+](C)Cc3ccc(C(=O)NC)cc3)c2cc1Cl ZINC000050506875 822732276 /nfs/dbraw/zinc/73/22/76/822732276.db2.gz WSMMDWGAKAVNPW-UHFFFAOYSA-N 1 1 398.890 4.000 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1nccs1 ZINC000185069801 822732485 /nfs/dbraw/zinc/73/24/85/822732485.db2.gz ROWRGHFRAWZKSD-PXNSSMCTSA-N 1 1 397.569 4.420 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)c1nccs1 ZINC000185083940 822734595 /nfs/dbraw/zinc/73/45/95/822734595.db2.gz TYTXLKKLWXXWFQ-LJQANCHMSA-N 1 1 383.517 4.004 20 0 GIADMO CCCN(CCc1cccs1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185129494 822740606 /nfs/dbraw/zinc/74/06/06/822740606.db2.gz PGKOHWDHLQXCDF-QZTJIDSGSA-N 1 1 377.598 4.365 20 0 GIADMO CCSCc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000455891294 822743226 /nfs/dbraw/zinc/74/32/26/822743226.db2.gz IVQNWYVPXXPOJJ-YOFSQIOKSA-N 1 1 391.581 4.045 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2cccc(OC(F)F)c2)C2CC2)cc1 ZINC000050959539 822743271 /nfs/dbraw/zinc/74/32/71/822743271.db2.gz DROQGVVWLYIVAQ-UHFFFAOYSA-N 1 1 386.442 4.345 20 0 GIADMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000051054415 822745071 /nfs/dbraw/zinc/74/50/71/822745071.db2.gz CQNRFEHCCUHGTI-LNLFQRSKSA-N 1 1 384.524 4.123 20 0 GIADMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000051120065 822746650 /nfs/dbraw/zinc/74/66/50/822746650.db2.gz CUDNIRABBZFYDT-FQEVSTJZSA-N 1 1 378.438 4.471 20 0 GIADMO C[N@@H+](CCC(=O)N1CCc2ccccc21)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132597 822747198 /nfs/dbraw/zinc/74/71/98/822747198.db2.gz SZMFHYUTGMRYCI-XUZZJYLKSA-N 1 1 378.516 4.066 20 0 GIADMO Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051132912 822747251 /nfs/dbraw/zinc/74/72/51/822747251.db2.gz NVXXMEITQBLZOY-AJSBUHFISA-N 1 1 380.532 4.099 20 0 GIADMO O=C(CC[N@@H+](Cc1ccco1)C1CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185190700 822747420 /nfs/dbraw/zinc/74/74/20/822747420.db2.gz MTPAZASBXYHVJP-UHFFFAOYSA-N 1 1 375.400 4.100 20 0 GIADMO NC(=O)[C@@H]([NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1ccccc1 ZINC000051187644 822749704 /nfs/dbraw/zinc/74/97/04/822749704.db2.gz SBDJHUMOPRVAOV-NRFANRHFSA-N 1 1 398.865 4.374 20 0 GIADMO C[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1nc(C2CCCCC2)no1 ZINC000185225419 822751697 /nfs/dbraw/zinc/75/16/97/822751697.db2.gz NUBRSTOAHGRXKR-OAHLLOKOSA-N 1 1 381.480 4.451 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccccc2)C2CC2)cc1OC ZINC000051284041 822754309 /nfs/dbraw/zinc/75/43/09/822754309.db2.gz BMMNZBYRBSAPSN-OAQYLSRUSA-N 1 1 394.515 4.032 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(Cc2ccccc2)C2CC2)cc1OC ZINC000051284041 822754311 /nfs/dbraw/zinc/75/43/11/822754311.db2.gz BMMNZBYRBSAPSN-OAQYLSRUSA-N 1 1 394.515 4.032 20 0 GIADMO Cc1cccnc1/C=C/C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185273036 822757902 /nfs/dbraw/zinc/75/79/02/822757902.db2.gz RMGYIBJSUPKWRU-XQBSKJPRSA-N 1 1 387.886 4.005 20 0 GIADMO O=C(Nc1ccc2cnccc2c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000455971738 822759356 /nfs/dbraw/zinc/75/93/56/822759356.db2.gz ODAZSLZIHDHIKM-VXKWHMMOSA-N 1 1 386.499 4.221 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(Cl)cc(Br)c1 ZINC000455975360 822760047 /nfs/dbraw/zinc/76/00/47/822760047.db2.gz USZRUFFZKZEBOM-UHFFFAOYSA-N 1 1 385.693 4.209 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174276603 822761600 /nfs/dbraw/zinc/76/16/00/822761600.db2.gz DGBFTOPIBGQHDG-UWWQBHOKSA-N 1 1 386.565 4.304 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC2)s1 ZINC000185305797 822762639 /nfs/dbraw/zinc/76/26/39/822762639.db2.gz YLGYSFHMLKGRKK-SFHVURJKSA-N 1 1 392.590 4.264 20 0 GIADMO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455998664 822764127 /nfs/dbraw/zinc/76/41/27/822764127.db2.gz QZYIDWCDBKCBCR-GUMYABAYSA-N 1 1 382.935 4.470 20 0 GIADMO Cc1cnc([C@@H](NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000174293365 822764926 /nfs/dbraw/zinc/76/49/26/822764926.db2.gz WKGUJBXGEFOTIP-PMACEKPBSA-N 1 1 398.576 4.209 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C2CC2)s1 ZINC000185322673 822765728 /nfs/dbraw/zinc/76/57/28/822765728.db2.gz NXFZRYRPLWVDBD-FZKQIMNGSA-N 1 1 377.941 4.365 20 0 GIADMO CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000185325977 822766270 /nfs/dbraw/zinc/76/62/70/822766270.db2.gz ILGWAGSDHGWBQI-MBSDFSHPSA-N 1 1 393.531 4.449 20 0 GIADMO Cc1ccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C2CC2)n1 ZINC000456015303 822766796 /nfs/dbraw/zinc/76/67/96/822766796.db2.gz LMKRFUJKHFNITD-UHFFFAOYSA-N 1 1 389.543 4.396 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185332524 822767341 /nfs/dbraw/zinc/76/73/41/822767341.db2.gz LBGBNPUTEMWUTK-VGOFRKELSA-N 1 1 394.563 4.372 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](c2ncc(C)s2)C2CC2)cc1 ZINC000185337779 822768003 /nfs/dbraw/zinc/76/80/03/822768003.db2.gz SVCXRPIRKFONCX-FPOVZHCZSA-N 1 1 399.560 4.255 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccccc1C(F)(F)F)C1CC1 ZINC000185346442 822769135 /nfs/dbraw/zinc/76/91/35/822769135.db2.gz AKXCFBCVFVJDCE-LJQANCHMSA-N 1 1 376.422 4.346 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185347980 822769213 /nfs/dbraw/zinc/76/92/13/822769213.db2.gz JIQQYUFNKUFTCD-CQSZACIVSA-N 1 1 390.528 4.054 20 0 GIADMO CC(C)Cn1ncc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C1CC1 ZINC000185349521 822769351 /nfs/dbraw/zinc/76/93/51/822769351.db2.gz RUFGBKUPNOGBDL-JOCHJYFZSA-N 1 1 394.563 4.057 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H](CO)c2ccc(Cl)cc2)cc1)C1CC1 ZINC000456071280 822774317 /nfs/dbraw/zinc/77/43/17/822774317.db2.gz FCYYMEGLYNOQGI-NRFANRHFSA-N 1 1 386.923 4.130 20 0 GIADMO CCCCCNC(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)CC1 ZINC000051802192 822779163 /nfs/dbraw/zinc/77/91/63/822779163.db2.gz KKHAKARRGCBKKJ-KRWDZBQOSA-N 1 1 384.524 4.124 20 0 GIADMO Clc1ccc(OCc2nc(C[N@H+](C[C@H]3CCOC3)C3CC3)cs2)cc1 ZINC000051854298 822780664 /nfs/dbraw/zinc/78/06/64/822780664.db2.gz NBXVLRWMKOQNNZ-CQSZACIVSA-N 1 1 378.925 4.376 20 0 GIADMO Clc1ccc(OCc2nc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cs2)cc1 ZINC000051854298 822780666 /nfs/dbraw/zinc/78/06/66/822780666.db2.gz NBXVLRWMKOQNNZ-CQSZACIVSA-N 1 1 378.925 4.376 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000174383239 822781472 /nfs/dbraw/zinc/78/14/72/822781472.db2.gz KXXNOHMHGOKGNZ-QGZVFWFLSA-N 1 1 377.435 4.192 20 0 GIADMO Cc1csc(C2([NH2+]Cc3cnc4ccc(Br)cn34)CCCC2)n1 ZINC000174385543 822781716 /nfs/dbraw/zinc/78/17/16/822781716.db2.gz CJMNELOBZBUDBQ-UHFFFAOYSA-N 1 1 391.338 4.421 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000051917917 822783067 /nfs/dbraw/zinc/78/30/67/822783067.db2.gz TXTABDXASDNNGW-UHFFFAOYSA-N 1 1 379.323 4.361 20 0 GIADMO COc1ccc(-c2cnc(CN(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1 ZINC000174399411 822784394 /nfs/dbraw/zinc/78/43/94/822784394.db2.gz NOXBXLFRVPUZCG-FQEVSTJZSA-N 1 1 391.515 4.304 20 0 GIADMO COc1ccccc1-c1ccc(C[NH2+][C@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000174400238 822784545 /nfs/dbraw/zinc/78/45/45/822784545.db2.gz ZBGIPADIZAFQAC-QGZVFWFLSA-N 1 1 385.471 4.189 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1Oc1cccnc1 ZINC000051982587 822785508 /nfs/dbraw/zinc/78/55/08/822785508.db2.gz YKJHWFSVVKHWKV-UHFFFAOYSA-N 1 1 387.483 4.052 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000185450394 822785998 /nfs/dbraw/zinc/78/59/98/822785998.db2.gz PCHWJZHYFDNWNY-AWEZNQCLSA-N 1 1 376.476 4.372 20 0 GIADMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000174414477 822786948 /nfs/dbraw/zinc/78/69/48/822786948.db2.gz RLQLBMFNMCZRFI-JKSUJKDBSA-N 1 1 392.544 4.124 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185488621 822790002 /nfs/dbraw/zinc/79/00/02/822790002.db2.gz HIAUDFCYBSPLKI-IBGZPJMESA-N 1 1 380.532 4.429 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Cl)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185492322 822790259 /nfs/dbraw/zinc/79/02/59/822790259.db2.gz HUUHUFWPDDNKJF-LSDHHAIUSA-N 1 1 377.941 4.107 20 0 GIADMO C[N@H+](CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1)CC1CC1 ZINC000052128175 822790949 /nfs/dbraw/zinc/79/09/49/822790949.db2.gz ZXOREELZCIWBSU-GOSISDBHSA-N 1 1 377.444 4.045 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000052187099 822792740 /nfs/dbraw/zinc/79/27/40/822792740.db2.gz ZOKZPTLZPUELTH-OAHLLOKOSA-N 1 1 392.494 4.463 20 0 GIADMO O[C@H](C[C@@H]1COCC[N@H+]1CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000185521268 822793180 /nfs/dbraw/zinc/79/31/80/822793180.db2.gz OWZFUZDFLVCLFU-QDIHITRGSA-N 1 1 377.472 4.241 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000052221848 822793453 /nfs/dbraw/zinc/79/34/53/822793453.db2.gz RGTNZYRWMRIWOH-XSFVSMFZSA-N 1 1 383.854 4.341 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000052232498 822793801 /nfs/dbraw/zinc/79/38/01/822793801.db2.gz TZHLETFDXUGNKC-UHFFFAOYSA-N 1 1 377.473 4.290 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)C1 ZINC000174468472 822794375 /nfs/dbraw/zinc/79/43/75/822794375.db2.gz RNCAZUJAFXRIFB-OAHLLOKOSA-N 1 1 398.551 4.103 20 0 GIADMO O=C(c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000052247952 822794389 /nfs/dbraw/zinc/79/43/89/822794389.db2.gz XAXKVNNJHSIEIK-OAQYLSRUSA-N 1 1 384.907 4.150 20 0 GIADMO O=C(c1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1)N1CCCC1 ZINC000052247952 822794393 /nfs/dbraw/zinc/79/43/93/822794393.db2.gz XAXKVNNJHSIEIK-OAQYLSRUSA-N 1 1 384.907 4.150 20 0 GIADMO CC(C)Oc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000052264099 822795062 /nfs/dbraw/zinc/79/50/62/822795062.db2.gz VKWFYFLFXKLOIY-CQSZACIVSA-N 1 1 391.512 4.243 20 0 GIADMO CC(C)Oc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c(F)c1 ZINC000052264099 822795064 /nfs/dbraw/zinc/79/50/64/822795064.db2.gz VKWFYFLFXKLOIY-CQSZACIVSA-N 1 1 391.512 4.243 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000174496386 822796927 /nfs/dbraw/zinc/79/69/27/822796927.db2.gz RJGSXWPPZIWXEQ-KRWDZBQOSA-N 1 1 394.544 4.015 20 0 GIADMO CC[C@](C)([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1nc(C)cs1 ZINC000174498565 822797179 /nfs/dbraw/zinc/79/71/79/822797179.db2.gz WPFJKVBWNYJSRK-KRWDZBQOSA-N 1 1 397.338 4.400 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(F)ccc32)C1 ZINC000174501172 822797499 /nfs/dbraw/zinc/79/74/99/822797499.db2.gz VZVFRDHVOKJYPB-KRWDZBQOSA-N 1 1 391.490 4.455 20 0 GIADMO C[C@H]1CN(C(=O)c2cccc(-c3cscn3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456316368 822797723 /nfs/dbraw/zinc/79/77/23/822797723.db2.gz ABHZFQOWDQDRPT-GOSISDBHSA-N 1 1 391.540 4.404 20 0 GIADMO CC[C@@](C)([NH2+]Cc1cnc2ccc(Br)cn12)c1nc(C)cs1 ZINC000174505508 822798151 /nfs/dbraw/zinc/79/81/51/822798151.db2.gz MTWTZQXOHSXBEY-MRXNPFEDSA-N 1 1 379.327 4.277 20 0 GIADMO C[C@H]1CN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000456331696 822799244 /nfs/dbraw/zinc/79/92/44/822799244.db2.gz KMYMBHYYOGYBRR-NEWSRXKRSA-N 1 1 382.470 4.336 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(OCCOC)cc3Cl)c2C1 ZINC000185585956 822799506 /nfs/dbraw/zinc/79/95/06/822799506.db2.gz WKRFTPGWKHUTNQ-UHFFFAOYSA-N 1 1 388.895 4.343 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(OCCOC)cc3Cl)c2C1 ZINC000185585956 822799509 /nfs/dbraw/zinc/79/95/09/822799509.db2.gz WKRFTPGWKHUTNQ-UHFFFAOYSA-N 1 1 388.895 4.343 20 0 GIADMO Cc1ccc(F)c(CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000456336049 822799691 /nfs/dbraw/zinc/79/96/91/822799691.db2.gz USJFIJVAZYCIFN-LJQANCHMSA-N 1 1 383.511 4.300 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)C1 ZINC000174519083 822800034 /nfs/dbraw/zinc/80/00/34/822800034.db2.gz IYAIPTVTGKQNPT-OKZBNKHCSA-N 1 1 383.561 4.146 20 0 GIADMO Cc1ncc(CN(C)c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)s1 ZINC000052447310 822800088 /nfs/dbraw/zinc/80/00/88/822800088.db2.gz BNMAKRDDUDZURK-UHFFFAOYSA-N 1 1 387.578 4.305 20 0 GIADMO CCSc1cccc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000185594364 822800322 /nfs/dbraw/zinc/80/03/22/822800322.db2.gz PDFRQIYZKBWWSY-LJQANCHMSA-N 1 1 383.561 4.108 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccnc2SCC2CCCCC2)C1 ZINC000174523307 822800581 /nfs/dbraw/zinc/80/05/81/822800581.db2.gz NDDOJRRKUJEAPY-SFHVURJKSA-N 1 1 375.582 4.168 20 0 GIADMO COc1ccc(N2CCC[N@H+](CC(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 ZINC000052465834 822800679 /nfs/dbraw/zinc/80/06/79/822800679.db2.gz AUBKYQKGUPJXNF-UHFFFAOYSA-N 1 1 395.547 4.278 20 0 GIADMO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 ZINC000052465834 822800681 /nfs/dbraw/zinc/80/06/81/822800681.db2.gz AUBKYQKGUPJXNF-UHFFFAOYSA-N 1 1 395.547 4.278 20 0 GIADMO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000052466243 822800822 /nfs/dbraw/zinc/80/08/22/822800822.db2.gz GIGWRRUMQZPNFX-OAHLLOKOSA-N 1 1 384.505 4.080 20 0 GIADMO COc1ccc(N2CCC[N@H+]([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000052466243 822800824 /nfs/dbraw/zinc/80/08/24/822800824.db2.gz GIGWRRUMQZPNFX-OAHLLOKOSA-N 1 1 384.505 4.080 20 0 GIADMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000052466396 822800837 /nfs/dbraw/zinc/80/08/37/822800837.db2.gz FSOZHGMGVHLPIU-LJQANCHMSA-N 1 1 395.547 4.358 20 0 GIADMO C[C@H]1CN(C(=O)CCc2cncc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000456348393 822800935 /nfs/dbraw/zinc/80/09/35/822800935.db2.gz VGHQMEVRTAKCQQ-HXUWFJFHSA-N 1 1 387.527 4.148 20 0 GIADMO CCC(CC)n1nc(C)cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456352587 822801452 /nfs/dbraw/zinc/80/14/52/822801452.db2.gz YGPNFXZNODXUDE-SFHVURJKSA-N 1 1 382.552 4.147 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000174530716 822801949 /nfs/dbraw/zinc/80/19/49/822801949.db2.gz XMJNCQQILYKLOB-CHWSQXEVSA-N 1 1 375.365 4.274 20 0 GIADMO CCc1cc2oc(=O)cc(C[N@@H+](C)Cc3ccc(O)c(OC)c3)c2cc1Cl ZINC000174540956 822802931 /nfs/dbraw/zinc/80/29/31/822802931.db2.gz LNZRJBDUWGEPRN-UHFFFAOYSA-N 1 1 387.863 4.355 20 0 GIADMO CCCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCCC ZINC000174548195 822803641 /nfs/dbraw/zinc/80/36/41/822803641.db2.gz ZBZIGTJAWUTSNZ-SJLPKXTDSA-N 1 1 377.529 4.211 20 0 GIADMO COc1ccc(Br)cc1C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000185636059 822805055 /nfs/dbraw/zinc/80/50/55/822805055.db2.gz LWWKJZSUKIVNBH-UHFFFAOYSA-N 1 1 388.309 4.369 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)cs1)c1ccccc1 ZINC000185635889 822805125 /nfs/dbraw/zinc/80/51/25/822805125.db2.gz GSAZTVIXVYPOKN-FOIQADDNSA-N 1 1 393.512 4.482 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185640225 822805534 /nfs/dbraw/zinc/80/55/34/822805534.db2.gz VQGJWWOCRQEFEC-LBPRGKRZSA-N 1 1 380.847 4.181 20 0 GIADMO Cc1cnc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)s1 ZINC000174572131 822806624 /nfs/dbraw/zinc/80/66/24/822806624.db2.gz ZFCILLBMDZKOLN-UHFFFAOYSA-N 1 1 375.501 4.048 20 0 GIADMO O=C(NC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1)c1ccccc1F ZINC000052725484 822808692 /nfs/dbraw/zinc/80/86/92/822808692.db2.gz OHEBSNQJEOMWMR-UHFFFAOYSA-N 1 1 397.425 4.014 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCCC3)cc2C)cc1OC ZINC000052774341 822810157 /nfs/dbraw/zinc/81/01/57/822810157.db2.gz DWNBNEGDDNDSOX-MRXNPFEDSA-N 1 1 383.492 4.052 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000174602845 822810835 /nfs/dbraw/zinc/81/08/35/822810835.db2.gz PHVAVKMARZAWFT-INIZCTEOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000174602845 822810839 /nfs/dbraw/zinc/81/08/39/822810839.db2.gz PHVAVKMARZAWFT-INIZCTEOSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)nc1 ZINC000174605249 822811325 /nfs/dbraw/zinc/81/13/25/822811325.db2.gz BISSHEIHTWULDG-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2csc3ccccc23)c1 ZINC000052805613 822811344 /nfs/dbraw/zinc/81/13/44/822811344.db2.gz AJPVVVWPPPXLLL-CQSZACIVSA-N 1 1 384.501 4.378 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2csc3ccccc23)c1 ZINC000052805613 822811346 /nfs/dbraw/zinc/81/13/46/822811346.db2.gz AJPVVVWPPPXLLL-CQSZACIVSA-N 1 1 384.501 4.378 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C2)nc1 ZINC000174605249 822811328 /nfs/dbraw/zinc/81/13/28/822811328.db2.gz BISSHEIHTWULDG-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185729326 822815393 /nfs/dbraw/zinc/81/53/93/822815393.db2.gz WQUJTIJUZDUTFL-YESZJQIVSA-N 1 1 377.960 4.218 20 0 GIADMO C[C@@H](NCC(=O)N[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744365 822816987 /nfs/dbraw/zinc/81/69/87/822816987.db2.gz OIUIXPSXFAIGIC-SELNLUPBSA-N 1 1 393.575 4.260 20 0 GIADMO Cc1ccc(Cc2cnc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1F ZINC000174647609 822817213 /nfs/dbraw/zinc/81/72/13/822817213.db2.gz PPKNHMPEVNZJAM-GDBMZVCRSA-N 1 1 390.528 4.128 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000053016726 822818788 /nfs/dbraw/zinc/81/87/88/822818788.db2.gz FVOVWMJVDLLWRK-UHFFFAOYSA-N 1 1 394.544 4.305 20 0 GIADMO Cc1nc(-c2ccccc2)sc1CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000174657167 822819323 /nfs/dbraw/zinc/81/93/23/822819323.db2.gz MLVRONJYKPUJTA-SFHVURJKSA-N 1 1 386.565 4.134 20 0 GIADMO CCOc1ccc(-c2nc(CN[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)co2)cc1 ZINC000185768132 822819356 /nfs/dbraw/zinc/81/93/56/822819356.db2.gz SAOZRQZTVLBGEO-HKUYNNGSSA-N 1 1 383.536 4.483 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+](CC)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000053088070 822821167 /nfs/dbraw/zinc/82/11/67/822821167.db2.gz YDOCKBUIXWUPFV-KRWDZBQOSA-N 1 1 399.510 4.329 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](CC)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000053088070 822821171 /nfs/dbraw/zinc/82/11/71/822821171.db2.gz YDOCKBUIXWUPFV-KRWDZBQOSA-N 1 1 399.510 4.329 20 0 GIADMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000053090386 822821320 /nfs/dbraw/zinc/82/13/20/822821320.db2.gz IJCIOFHRFWNTIH-HSZRJFAPSA-N 1 1 394.563 4.070 20 0 GIADMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)[C@@H]1CC=CC[C@@H]1c1nc3ccccc3s1)C2 ZINC000174673643 822821717 /nfs/dbraw/zinc/82/17/17/822821717.db2.gz HRCVPZZAUBDRTN-XWTMOSNGSA-N 1 1 381.545 4.041 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053111366 822822107 /nfs/dbraw/zinc/82/21/07/822822107.db2.gz DRIOIJMFPUVECE-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000053111366 822822109 /nfs/dbraw/zinc/82/21/09/822822109.db2.gz DRIOIJMFPUVECE-CYBMUJFWSA-N 1 1 396.409 4.182 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000053121173 822822684 /nfs/dbraw/zinc/82/26/84/822822684.db2.gz CYFUYIPLSWEAHT-UHFFFAOYSA-N 1 1 375.900 4.187 20 0 GIADMO Cc1ncc(C[N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)s1 ZINC000053145647 822823513 /nfs/dbraw/zinc/82/35/13/822823513.db2.gz OSGXFJZVULOGGJ-HXUWFJFHSA-N 1 1 385.558 4.241 20 0 GIADMO Cc1ncc(C[N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000053145608 822823568 /nfs/dbraw/zinc/82/35/68/822823568.db2.gz IIFBVDHPDQGYGC-UHFFFAOYSA-N 1 1 379.529 4.179 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000053181377 822825096 /nfs/dbraw/zinc/82/50/96/822825096.db2.gz XULNQWCZHWWOSY-UHFFFAOYSA-N 1 1 396.494 4.414 20 0 GIADMO COCC1=CC[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000185858217 822827752 /nfs/dbraw/zinc/82/77/52/822827752.db2.gz XQBHSYOUBDKGFZ-UHFFFAOYSA-N 1 1 379.323 4.351 20 0 GIADMO COCC1=CC[N@@H+](Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000185858217 822827756 /nfs/dbraw/zinc/82/77/56/822827756.db2.gz XQBHSYOUBDKGFZ-UHFFFAOYSA-N 1 1 379.323 4.351 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(CCC(C)C)cn3)CC2)cs1 ZINC000456785412 822830692 /nfs/dbraw/zinc/83/06/92/822830692.db2.gz ONFDYRAXGOHAOT-UHFFFAOYSA-N 1 1 386.565 4.286 20 0 GIADMO CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1nc(C(F)(F)F)cs1 ZINC000174744236 822831355 /nfs/dbraw/zinc/83/13/55/822831355.db2.gz DPCRUOBRSGTFLI-CHWSQXEVSA-N 1 1 392.491 4.033 20 0 GIADMO CC[C@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1nc(C)cs1 ZINC000174762672 822834005 /nfs/dbraw/zinc/83/40/05/822834005.db2.gz JFCUZJKOXKAERV-MJGOQNOKSA-N 1 1 386.565 4.209 20 0 GIADMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000053422397 822834063 /nfs/dbraw/zinc/83/40/63/822834063.db2.gz YIYHCHYIIFYQTG-CQSZACIVSA-N 1 1 380.410 4.079 20 0 GIADMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000053422397 822834066 /nfs/dbraw/zinc/83/40/66/822834066.db2.gz YIYHCHYIIFYQTG-CQSZACIVSA-N 1 1 380.410 4.079 20 0 GIADMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000053429103 822834899 /nfs/dbraw/zinc/83/48/99/822834899.db2.gz TWSXAGPCARTMBR-ZDUSSCGKSA-N 1 1 381.339 4.162 20 0 GIADMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000053429103 822834901 /nfs/dbraw/zinc/83/49/01/822834901.db2.gz TWSXAGPCARTMBR-ZDUSSCGKSA-N 1 1 381.339 4.162 20 0 GIADMO CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000185940531 822835564 /nfs/dbraw/zinc/83/55/64/822835564.db2.gz YTEUJUOZCPUGDW-CYBMUJFWSA-N 1 1 392.468 4.067 20 0 GIADMO CC[C@@H]([NH2+]C[C@@H](O)COc1cc(C)cc(C)c1)c1nc(C(F)(F)F)cs1 ZINC000185960119 822837797 /nfs/dbraw/zinc/83/77/97/822837797.db2.gz JZGSGYCZDTWBBO-UKRRQHHQSA-N 1 1 388.455 4.259 20 0 GIADMO Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174796577 822838135 /nfs/dbraw/zinc/83/81/35/822838135.db2.gz XTONGOCSRBJZAB-MSOLQXFVSA-N 1 1 395.507 4.056 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000053528958 822839284 /nfs/dbraw/zinc/83/92/84/822839284.db2.gz MSRYANAYOGMJBF-PBHICJAKSA-N 1 1 391.487 4.410 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cn1 ZINC000053546169 822840100 /nfs/dbraw/zinc/84/01/00/822840100.db2.gz NQORUURLKHBQJK-UHFFFAOYSA-N 1 1 396.248 4.072 20 0 GIADMO COc1cccc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000053605974 822842451 /nfs/dbraw/zinc/84/24/51/822842451.db2.gz KTDREFPGLIRORV-HXUWFJFHSA-N 1 1 393.512 4.255 20 0 GIADMO COc1cccc([C@H]2CCC[N@H+]2Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000053605974 822842454 /nfs/dbraw/zinc/84/24/54/822842454.db2.gz KTDREFPGLIRORV-HXUWFJFHSA-N 1 1 393.512 4.255 20 0 GIADMO C[N@@H+](Cc1csc(-c2ccccn2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828471 822842757 /nfs/dbraw/zinc/84/27/57/822842757.db2.gz QUMFCASJEMFNDC-UHFFFAOYSA-N 1 1 388.537 4.036 20 0 GIADMO CC(C)(C)[C@@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000053616659 822842874 /nfs/dbraw/zinc/84/28/74/822842874.db2.gz HJIWSMJJHQBAFL-SFHVURJKSA-N 1 1 387.434 4.141 20 0 GIADMO CC(C)(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc(F)cc1 ZINC000053643999 822843756 /nfs/dbraw/zinc/84/37/56/822843756.db2.gz JUGJNYZRGJRPPD-IBGZPJMESA-N 1 1 394.512 4.080 20 0 GIADMO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3c3ccc(Br)cc3)cc(=O)n2c1 ZINC000053714305 822845673 /nfs/dbraw/zinc/84/56/73/822845673.db2.gz XTDCKIVKYLVZPU-GOSISDBHSA-N 1 1 398.304 4.103 20 0 GIADMO Cc1ccc2nc(C[N@H+]3CCC[C@@H]3c3ccc(Br)cc3)cc(=O)n2c1 ZINC000053714305 822845675 /nfs/dbraw/zinc/84/56/75/822845675.db2.gz XTDCKIVKYLVZPU-GOSISDBHSA-N 1 1 398.304 4.103 20 0 GIADMO CCC(=O)c1ccc(OCCCCC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000457009321 822846062 /nfs/dbraw/zinc/84/60/62/822846062.db2.gz CUYQMHLGVQAHND-JOCHJYFZSA-N 1 1 394.515 4.002 20 0 GIADMO Cc1nc2ccccc2n1CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000053722071 822846162 /nfs/dbraw/zinc/84/61/62/822846162.db2.gz LIBRGOBJWGECJO-QGZVFWFLSA-N 1 1 376.504 4.358 20 0 GIADMO COc1ccc(C(=O)CCCCCC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000457021527 822846681 /nfs/dbraw/zinc/84/66/81/822846681.db2.gz MLPMWXHRMZHWEK-QFIPXVFZSA-N 1 1 394.515 4.002 20 0 GIADMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 ZINC000053773562 822847557 /nfs/dbraw/zinc/84/75/57/822847557.db2.gz IYJHHJIBXFJDBX-SFHVURJKSA-N 1 1 392.503 4.327 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1cccc(O)c1 ZINC000174868716 822848835 /nfs/dbraw/zinc/84/88/35/822848835.db2.gz HRSRXOGHOJEJQD-ICSRJNTNSA-N 1 1 381.520 4.007 20 0 GIADMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000053836439 822849695 /nfs/dbraw/zinc/84/96/95/822849695.db2.gz PNPLFDQLIKOATK-UHFFFAOYSA-N 1 1 388.924 4.025 20 0 GIADMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000053836439 822849699 /nfs/dbraw/zinc/84/96/99/822849699.db2.gz PNPLFDQLIKOATK-UHFFFAOYSA-N 1 1 388.924 4.025 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3CCC[C@H](C(C)C)CC3)CC2)cs1 ZINC000186115916 822852867 /nfs/dbraw/zinc/85/28/67/822852867.db2.gz QZYPFRHWECXLCK-HKUYNNGSSA-N 1 1 377.598 4.385 20 0 GIADMO O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000457107456 822853701 /nfs/dbraw/zinc/85/37/01/822853701.db2.gz BYJSZVRFZQWMJC-FBBABVLZSA-N 1 1 390.955 4.126 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457163637 822858314 /nfs/dbraw/zinc/85/83/14/822858314.db2.gz HIWDJOIYINZFFX-UHFFFAOYSA-N 1 1 395.425 4.273 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 ZINC000054011236 822858443 /nfs/dbraw/zinc/85/84/43/822858443.db2.gz WZIHNALLKNJEOG-UHFFFAOYSA-N 1 1 387.439 4.414 20 0 GIADMO Cc1noc2nc(C)cc(C(=O)Nc3cccc(Cn4cc[nH+]c4C(C)C)c3)c12 ZINC000054011335 822858738 /nfs/dbraw/zinc/85/87/38/822858738.db2.gz WHQBTUDPJSJSOT-UHFFFAOYSA-N 1 1 389.459 4.460 20 0 GIADMO COC(=O)c1cccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000054012063 822858831 /nfs/dbraw/zinc/85/88/31/822858831.db2.gz BUEWEGXMVYCSQD-UHFFFAOYSA-N 1 1 377.444 4.094 20 0 GIADMO Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1C ZINC000054012211 822858928 /nfs/dbraw/zinc/85/89/28/822858928.db2.gz WMNOGKZTLRJFCP-UHFFFAOYSA-N 1 1 393.531 4.047 20 0 GIADMO Cc1cc(C)cc(C2(C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)CC2)c1 ZINC000054012730 822858951 /nfs/dbraw/zinc/85/89/51/822858951.db2.gz WGTAYAOIEVQDMW-UHFFFAOYSA-N 1 1 377.532 4.116 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)cc1Cl ZINC000174943700 822859142 /nfs/dbraw/zinc/85/91/42/822859142.db2.gz WOLGJYDBXAAJKF-HNNXBMFYSA-N 1 1 378.850 4.212 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCn1ccc2ccccc21 ZINC000174945727 822859424 /nfs/dbraw/zinc/85/94/24/822859424.db2.gz VQPPNMCPRHWOGL-OAQYLSRUSA-N 1 1 375.516 4.012 20 0 GIADMO Cc1ccc(C(=O)CCCC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000186191529 822859644 /nfs/dbraw/zinc/85/96/44/822859644.db2.gz IYUPEEUUSSXBBI-JOCHJYFZSA-N 1 1 392.543 4.029 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)NCCCC[N@H+](C)C3CC3)cc2)cs1 ZINC000457195212 822860071 /nfs/dbraw/zinc/86/00/71/822860071.db2.gz GRCUHUDGTYKVBC-UHFFFAOYSA-N 1 1 389.590 4.348 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000186200667 822860254 /nfs/dbraw/zinc/86/02/54/822860254.db2.gz WREHCXOFESJMOF-UHFFFAOYSA-N 1 1 399.800 4.111 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000174953977 822860624 /nfs/dbraw/zinc/86/06/24/822860624.db2.gz BLMKZVIUNJLOFW-OAHLLOKOSA-N 1 1 392.341 4.268 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174967060 822862381 /nfs/dbraw/zinc/86/23/81/822862381.db2.gz OHXOWBPWZIUHBR-LJQANCHMSA-N 1 1 381.520 4.081 20 0 GIADMO COc1ccc(S[C@@H](C)C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174969821 822862517 /nfs/dbraw/zinc/86/25/17/822862517.db2.gz RKGSCXJFBGPMOD-ICSRJNTNSA-N 1 1 398.572 4.156 20 0 GIADMO CC(C)c1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C(C)(C)C ZINC000174969741 822862594 /nfs/dbraw/zinc/86/25/94/822862594.db2.gz YFRXYRXQRGCHMW-FQEVSTJZSA-N 1 1 396.579 4.356 20 0 GIADMO CC(C)c1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cnn1-c1ccc(F)cc1 ZINC000174973412 822863135 /nfs/dbraw/zinc/86/31/35/822863135.db2.gz UHSLHJAWAHWDCZ-QUCCMNQESA-N 1 1 398.526 4.222 20 0 GIADMO O=c1[nH]c(CC[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)nc2ccccc21 ZINC000054173545 822865682 /nfs/dbraw/zinc/86/56/82/822865682.db2.gz LPIQHIUSPCOLBK-QFIPXVFZSA-N 1 1 381.479 4.113 20 0 GIADMO O=C(Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000457323588 822865810 /nfs/dbraw/zinc/86/58/10/822865810.db2.gz HSTNBDWONKBSAX-LJQANCHMSA-N 1 1 395.469 4.300 20 0 GIADMO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000568964961 822865922 /nfs/dbraw/zinc/86/59/22/822865922.db2.gz AFVDPBFRPKZYIO-ZDUSSCGKSA-N 1 1 396.318 4.419 20 0 GIADMO O=C(Nc1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1)c1cccc(F)c1 ZINC000054176151 822866160 /nfs/dbraw/zinc/86/61/60/822866160.db2.gz YUJCEISLBBBUGZ-UHFFFAOYSA-N 1 1 392.430 4.139 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)n1 ZINC000054205471 822868226 /nfs/dbraw/zinc/86/82/26/822868226.db2.gz FTELFXUWDFTZJX-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO CC(C)c1nc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cs1 ZINC000186273913 822868252 /nfs/dbraw/zinc/86/82/52/822868252.db2.gz INCILDKDLWJNOH-GXTWGEPZSA-N 1 1 388.455 4.376 20 0 GIADMO Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223939 822869242 /nfs/dbraw/zinc/86/92/42/822869242.db2.gz KXPLNTLJPCGJSR-UWJYYQICSA-N 1 1 389.499 4.144 20 0 GIADMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)s1 ZINC000186280716 822869742 /nfs/dbraw/zinc/86/97/42/822869742.db2.gz INWJDJLWRIRVFJ-HNNXBMFYSA-N 1 1 378.563 4.098 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054227437 822869878 /nfs/dbraw/zinc/86/98/78/822869878.db2.gz KJXPWHOMQVYEGQ-OXJNMPFZSA-N 1 1 375.472 4.215 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCCC(=O)c2ccccc2)C1 ZINC000054228182 822870093 /nfs/dbraw/zinc/87/00/93/822870093.db2.gz QXEZGFDRONYABK-UGKGYDQZSA-N 1 1 378.516 4.381 20 0 GIADMO C[N@@H+](CCNC(=O)Cc1csc(-c2ccccc2Cl)n1)Cc1ccccc1 ZINC000054281541 822872696 /nfs/dbraw/zinc/87/26/96/822872696.db2.gz MNAKHOCFQXKORV-UHFFFAOYSA-N 1 1 399.947 4.254 20 0 GIADMO CCN(C(=O)c1ccc(N2CCC(C)=N2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186312548 822874760 /nfs/dbraw/zinc/87/47/60/822874760.db2.gz MQAWPSOSFNXZDR-QHCPKHFHSA-N 1 1 390.531 4.009 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000054322227 822876216 /nfs/dbraw/zinc/87/62/16/822876216.db2.gz JIRSWRBAZJLYOQ-AWEZNQCLSA-N 1 1 387.351 4.308 20 0 GIADMO CCN(C(=O)c1cc(NC(C)=O)ccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186325370 822876334 /nfs/dbraw/zinc/87/63/34/822876334.db2.gz ONIKTOVTBAMQFA-IBGZPJMESA-N 1 1 399.922 4.035 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000054323443 822876333 /nfs/dbraw/zinc/87/63/33/822876333.db2.gz FIHPZEFQIKWGLJ-CQSZACIVSA-N 1 1 387.351 4.308 20 0 GIADMO CC(C)COC1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000054322511 822876437 /nfs/dbraw/zinc/87/64/37/822876437.db2.gz JTRDYGWABHYWFO-UHFFFAOYSA-N 1 1 396.531 4.341 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000186331756 822877145 /nfs/dbraw/zinc/87/71/45/822877145.db2.gz PEWDXVREOSKIDU-INIZCTEOSA-N 1 1 383.414 4.103 20 0 GIADMO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186332727 822877440 /nfs/dbraw/zinc/87/74/40/822877440.db2.gz ODMBHBUMMYQZCL-FCHUYYIVSA-N 1 1 380.536 4.085 20 0 GIADMO Cc1cccnc1-c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1C(C)C ZINC000569078069 822877561 /nfs/dbraw/zinc/87/75/61/822877561.db2.gz BOZSWANRXJHJAV-QGZVFWFLSA-N 1 1 396.564 4.174 20 0 GIADMO CC(C)c1c(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)cnn1-c1ccccc1Cl ZINC000569103226 822880164 /nfs/dbraw/zinc/88/01/64/822880164.db2.gz XCKGFRAQPLWRJY-OAHLLOKOSA-N 1 1 389.931 4.207 20 0 GIADMO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186350921 822880248 /nfs/dbraw/zinc/88/02/48/822880248.db2.gz ZKXUXFLOKWJGOL-UHFFFAOYSA-N 1 1 379.298 4.065 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(OC3CCCCC3)cc2)cc1 ZINC000175100837 822882413 /nfs/dbraw/zinc/88/24/13/822882413.db2.gz SNFKTRMKEWURJH-UHFFFAOYSA-N 1 1 395.503 4.151 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000054406251 822882625 /nfs/dbraw/zinc/88/26/25/822882625.db2.gz VVJACPQHMBBGJQ-CALCHBBNSA-N 1 1 388.556 4.159 20 0 GIADMO COCC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000054425042 822883794 /nfs/dbraw/zinc/88/37/94/822883794.db2.gz QVUMXXWBLMQZQT-UHFFFAOYSA-N 1 1 381.303 4.471 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1C ZINC000569148750 822884175 /nfs/dbraw/zinc/88/41/75/822884175.db2.gz CZCMUEVNBYZEKH-KRWDZBQOSA-N 1 1 396.535 4.489 20 0 GIADMO CC(=O)Nc1cc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)ccc1C ZINC000175117974 822885532 /nfs/dbraw/zinc/88/55/32/822885532.db2.gz VTWISZJSDLPIEF-SFHVURJKSA-N 1 1 394.519 4.082 20 0 GIADMO CC(=O)Nc1c(C)ccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C ZINC000054446084 822886679 /nfs/dbraw/zinc/88/66/79/822886679.db2.gz QUELLWCRUXASJO-PXNSSMCTSA-N 1 1 394.519 4.219 20 0 GIADMO CCCC[N@H+](Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S)[C@@H](C)CC ZINC000054472109 822888256 /nfs/dbraw/zinc/88/82/56/822888256.db2.gz LRXKCRBEIWSNIN-HNNXBMFYSA-N 1 1 375.542 4.220 20 0 GIADMO CCCC[N@@H+](Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S)[C@@H](C)CC ZINC000054472109 822888258 /nfs/dbraw/zinc/88/82/58/822888258.db2.gz LRXKCRBEIWSNIN-HNNXBMFYSA-N 1 1 375.542 4.220 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000175139316 822890158 /nfs/dbraw/zinc/89/01/58/822890158.db2.gz WAECUKVRSBOHQV-FOIQADDNSA-N 1 1 375.463 4.050 20 0 GIADMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175139316 822890162 /nfs/dbraw/zinc/89/01/62/822890162.db2.gz WAECUKVRSBOHQV-FOIQADDNSA-N 1 1 375.463 4.050 20 0 GIADMO Cc1csc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000186416744 822891209 /nfs/dbraw/zinc/89/12/09/822891209.db2.gz RSBZJHOAZZHIHO-HIFRSBDPSA-N 1 1 383.521 4.110 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000569200110 822892156 /nfs/dbraw/zinc/89/21/56/822892156.db2.gz CDBCHIVOWYHVDR-QHCPKHFHSA-N 1 1 389.499 4.439 20 0 GIADMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000457568031 822892396 /nfs/dbraw/zinc/89/23/96/822892396.db2.gz ZNWNTECNWLYLRM-HNNXBMFYSA-N 1 1 398.532 4.180 20 0 GIADMO CO[C@@H](C)c1nc(C)c(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000175161134 822895026 /nfs/dbraw/zinc/89/50/26/822895026.db2.gz IQNRSIYLSUUUGO-FUHWJXTLSA-N 1 1 388.533 4.228 20 0 GIADMO C[C@@H](C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F)C1CCC1 ZINC000457591479 822895637 /nfs/dbraw/zinc/89/56/37/822895637.db2.gz BUDPJWCGAKTMES-SJLPKXTDSA-N 1 1 382.470 4.336 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+](C)Cc1cc2ccccc2o1 ZINC000175175198 822897765 /nfs/dbraw/zinc/89/77/65/822897765.db2.gz QELOZUMWMGHMHD-MRXNPFEDSA-N 1 1 391.471 4.019 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175175198 822897773 /nfs/dbraw/zinc/89/77/73/822897773.db2.gz QELOZUMWMGHMHD-MRXNPFEDSA-N 1 1 391.471 4.019 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000054607701 822898737 /nfs/dbraw/zinc/89/87/37/822898737.db2.gz UZCMNUJHKAZFFA-HXUWFJFHSA-N 1 1 377.492 4.162 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000054607699 822898824 /nfs/dbraw/zinc/89/88/24/822898824.db2.gz UZCMNUJHKAZFFA-FQEVSTJZSA-N 1 1 377.492 4.162 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC000457632465 822899233 /nfs/dbraw/zinc/89/92/33/822899233.db2.gz NRUFYMYLGLUDRZ-SJORKVTESA-N 1 1 385.895 4.226 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cn1 ZINC000054626008 822900072 /nfs/dbraw/zinc/90/00/72/822900072.db2.gz RBBQNBNBOIZQPO-UHFFFAOYSA-N 1 1 384.439 4.298 20 0 GIADMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000569276881 822900271 /nfs/dbraw/zinc/90/02/71/822900271.db2.gz JVGLCACUEYJHQS-CYBMUJFWSA-N 1 1 378.423 4.002 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000569282086 822901144 /nfs/dbraw/zinc/90/11/44/822901144.db2.gz VHZZAGMWHZNNTD-LAUBAEHRSA-N 1 1 394.519 4.210 20 0 GIADMO COc1cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)ccc1SC ZINC000186479074 822901933 /nfs/dbraw/zinc/90/19/33/822901933.db2.gz QCLTVONVTDYBOZ-UHFFFAOYSA-N 1 1 379.472 4.179 20 0 GIADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457669780 822904253 /nfs/dbraw/zinc/90/42/53/822904253.db2.gz NSRBHESFJWRWDX-YWZLYKJASA-N 1 1 385.895 4.084 20 0 GIADMO Cc1cc(NC(=O)[C@@H](C)CC(F)(F)F)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000457675034 822904977 /nfs/dbraw/zinc/90/49/77/822904977.db2.gz MPIJWTHFVGZGGT-YOEHRIQHSA-N 1 1 394.441 4.166 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186499614 822905300 /nfs/dbraw/zinc/90/53/00/822905300.db2.gz JTDIRGFMYYQJIG-UHFFFAOYSA-N 1 1 391.968 4.241 20 0 GIADMO Cc1cc(C[N@H+]2CCSC3(CCOCC3)C2)cc(C)c1OCc1ccccn1 ZINC000186500774 822905563 /nfs/dbraw/zinc/90/55/63/822905563.db2.gz FIXKWHINSXWGDO-UHFFFAOYSA-N 1 1 398.572 4.375 20 0 GIADMO Clc1cc(Br)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186503405 822905886 /nfs/dbraw/zinc/90/58/86/822905886.db2.gz JVEDNKJVEKLBMH-UHFFFAOYSA-N 1 1 376.747 4.201 20 0 GIADMO Clc1cc(Br)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186503405 822905888 /nfs/dbraw/zinc/90/58/88/822905888.db2.gz JVEDNKJVEKLBMH-UHFFFAOYSA-N 1 1 376.747 4.201 20 0 GIADMO COc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1OC ZINC000569312429 822905875 /nfs/dbraw/zinc/90/58/75/822905875.db2.gz IGQXXSXALDLKSI-KOUNCHBCSA-N 1 1 380.532 4.032 20 0 GIADMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000569315364 822906324 /nfs/dbraw/zinc/90/63/24/822906324.db2.gz WFKPBOLNILSTPZ-JYJNAYRXSA-N 1 1 386.462 4.131 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000175216333 822906588 /nfs/dbraw/zinc/90/65/88/822906588.db2.gz MWLMKLKUKZSWAS-YLJYHZDGSA-N 1 1 383.540 4.001 20 0 GIADMO CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054719155 822907420 /nfs/dbraw/zinc/90/74/20/822907420.db2.gz XCOWEPMGZKNGCJ-RXVVDRJESA-N 1 1 381.520 4.062 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)s1 ZINC000054728515 822907948 /nfs/dbraw/zinc/90/79/48/822907948.db2.gz OQQHLYBUGQVOAY-AWEZNQCLSA-N 1 1 393.503 4.360 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)s1 ZINC000457700998 822908248 /nfs/dbraw/zinc/90/82/48/822908248.db2.gz HNBNUGQVTMAGLU-LBPRGKRZSA-N 1 1 381.339 4.069 20 0 GIADMO CCOc1cc(F)ccc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175228991 822909616 /nfs/dbraw/zinc/90/96/16/822909616.db2.gz AEHVBMBKHQMAFF-GOSISDBHSA-N 1 1 385.483 4.210 20 0 GIADMO O=C(Nc1cccc(COCc2ccco2)c1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000175243094 822912281 /nfs/dbraw/zinc/91/22/81/822912281.db2.gz JLVWVXVJAQOEIS-OAQYLSRUSA-N 1 1 397.519 4.382 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000186557823 822912981 /nfs/dbraw/zinc/91/29/81/822912981.db2.gz UMLGNZDOTQFOOY-UHFFFAOYSA-N 1 1 390.409 4.056 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000186565969 822914382 /nfs/dbraw/zinc/91/43/82/822914382.db2.gz QMWGEZIQKXONBR-UHFFFAOYSA-N 1 1 376.273 4.500 20 0 GIADMO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000175252126 822914773 /nfs/dbraw/zinc/91/47/73/822914773.db2.gz UKAOHYMSEFUATF-IRXDYDNUSA-N 1 1 379.529 4.396 20 0 GIADMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000457753129 822914790 /nfs/dbraw/zinc/91/47/90/822914790.db2.gz XGEDOUPJCYKKPP-MWDXBVQZSA-N 1 1 377.495 4.402 20 0 GIADMO CC[C@@H](NC(=O)c1ccccc1)c1noc([C@@H](c2ccccc2)[NH+](CC)CC)n1 ZINC000569390595 822915298 /nfs/dbraw/zinc/91/52/98/822915298.db2.gz KHJRZUMSVGFAOQ-WOJBJXKFSA-N 1 1 392.503 4.382 20 0 GIADMO CC[N@@H+](CCNC(=O)c1ccc(OC(C)C)cc1Cl)CCC(F)(F)F ZINC000457761992 822915954 /nfs/dbraw/zinc/91/59/54/822915954.db2.gz JFNJBFVVHZKNSR-UHFFFAOYSA-N 1 1 380.838 4.131 20 0 GIADMO CC(=O)c1oc2cc(C)ccc2c1CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000569395290 822916259 /nfs/dbraw/zinc/91/62/59/822916259.db2.gz OPOQGHZDAODRSE-QGZVFWFLSA-N 1 1 392.499 4.123 20 0 GIADMO Fc1ccc(CC[NH+]2CCC(NCc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000569404150 822917617 /nfs/dbraw/zinc/91/76/17/822917617.db2.gz FWWDFQRGAMHQRJ-UHFFFAOYSA-N 1 1 396.554 4.008 20 0 GIADMO Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H](C)CCN3CCN(C)CC3)cc2)c1 ZINC000186585747 822917793 /nfs/dbraw/zinc/91/77/93/822917793.db2.gz YUCHEEFZKMLAGZ-FCHUYYIVSA-N 1 1 395.591 4.251 20 0 GIADMO Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H](C)CCN3CCN(C)CC3)cc2)c1 ZINC000186585805 822917861 /nfs/dbraw/zinc/91/78/61/822917861.db2.gz YUCHEEFZKMLAGZ-YADHBBJMSA-N 1 1 395.591 4.251 20 0 GIADMO Cc1nc(-c2ccc([C@@H](C)NC(=O)N3CC[N@H+](C4CC4)C[C@@H](C)C3)cc2)cs1 ZINC000457775647 822917973 /nfs/dbraw/zinc/91/79/73/822917973.db2.gz NYECYFMQWDADFP-HZPDHXFCSA-N 1 1 398.576 4.305 20 0 GIADMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000186587870 822918087 /nfs/dbraw/zinc/91/80/87/822918087.db2.gz DRSMYMOENUDDBT-IRXDYDNUSA-N 1 1 375.557 4.231 20 0 GIADMO COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000186590657 822918899 /nfs/dbraw/zinc/91/88/99/822918899.db2.gz NIQQCZORLGQMKM-VQTJNVASSA-N 1 1 381.564 4.039 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000457793027 822919931 /nfs/dbraw/zinc/91/99/31/822919931.db2.gz SMCSMOFLEMGPFD-RBUKOAKNSA-N 1 1 393.934 4.023 20 0 GIADMO CC(C)(C)C1CC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000457808178 822921270 /nfs/dbraw/zinc/92/12/70/822921270.db2.gz CPVRMAAIIMOPDH-LZBANZJXSA-N 1 1 398.591 4.104 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186600200 822921404 /nfs/dbraw/zinc/92/14/04/822921404.db2.gz CTERVHYRCUTWOE-WJONJSRFSA-N 1 1 384.907 4.037 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186600200 822921407 /nfs/dbraw/zinc/92/14/07/822921407.db2.gz CTERVHYRCUTWOE-WJONJSRFSA-N 1 1 384.907 4.037 20 0 GIADMO COc1ccc([C@H](C)CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000175272684 822921477 /nfs/dbraw/zinc/92/14/77/822921477.db2.gz YYUUZMUIHBLKAX-GOSISDBHSA-N 1 1 384.495 4.062 20 0 GIADMO COc1ccc([C@H](C)CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000175272684 822921481 /nfs/dbraw/zinc/92/14/81/822921481.db2.gz YYUUZMUIHBLKAX-GOSISDBHSA-N 1 1 384.495 4.062 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000054920161 822922111 /nfs/dbraw/zinc/92/21/11/822922111.db2.gz HUKCJWOQACAAIX-QAPCUYQASA-N 1 1 381.476 4.105 20 0 GIADMO CCCn1ccc2ccc(NC(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)cc21 ZINC000175276373 822922188 /nfs/dbraw/zinc/92/21/88/822922188.db2.gz PGVIKTOHYZNHPS-QHCPKHFHSA-N 1 1 391.515 4.188 20 0 GIADMO CCSc1cc(C(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000175277154 822922228 /nfs/dbraw/zinc/92/22/28/822922228.db2.gz LTRUIOQGCQOBJS-LJQANCHMSA-N 1 1 383.561 4.178 20 0 GIADMO COC(=O)c1sccc1C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000569432749 822922500 /nfs/dbraw/zinc/92/25/00/822922500.db2.gz BJPNGIJYNGBDOZ-UHFFFAOYSA-N 1 1 399.434 4.349 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000175279826 822923032 /nfs/dbraw/zinc/92/30/32/822923032.db2.gz HEFYZNGJPOVILW-GOSISDBHSA-N 1 1 379.479 4.291 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)nnn1-c1cccc(Cl)c1 ZINC000186614897 822923912 /nfs/dbraw/zinc/92/39/12/822923912.db2.gz NAUKETSZNIEQFH-AWEZNQCLSA-N 1 1 384.911 4.307 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000054948123 822924032 /nfs/dbraw/zinc/92/40/32/822924032.db2.gz GSKIGZRBOMXDHM-RDJZCZTQSA-N 1 1 399.560 4.104 20 0 GIADMO CC[N@H+]1CCCN(c2nnc(CSc3ccc(Cl)cc3)n2C2CC2)CC1 ZINC000569466315 822926382 /nfs/dbraw/zinc/92/63/82/822926382.db2.gz SGFQLDMJHLPGOH-UHFFFAOYSA-N 1 1 391.972 4.091 20 0 GIADMO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000569475085 822927379 /nfs/dbraw/zinc/92/73/79/822927379.db2.gz AOVZOWGCFAAQIE-OAHLLOKOSA-N 1 1 376.932 4.150 20 0 GIADMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](Cc2ncnn2C(C)(C)C)C1 ZINC000569475085 822927383 /nfs/dbraw/zinc/92/73/83/822927383.db2.gz AOVZOWGCFAAQIE-OAHLLOKOSA-N 1 1 376.932 4.150 20 0 GIADMO CC1(C)CC[N@@H+](CC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)C1 ZINC000569473677 822927391 /nfs/dbraw/zinc/92/73/91/822927391.db2.gz UAHOVAZVSDWIFA-IBGZPJMESA-N 1 1 398.469 4.021 20 0 GIADMO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000569478516 822927980 /nfs/dbraw/zinc/92/79/80/822927980.db2.gz MRBVYNQZNYNXOG-GCJKJVERSA-N 1 1 385.471 4.021 20 0 GIADMO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000569478516 822927981 /nfs/dbraw/zinc/92/79/81/822927981.db2.gz MRBVYNQZNYNXOG-GCJKJVERSA-N 1 1 385.471 4.021 20 0 GIADMO O=C(CC[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1cccc(C(F)(F)F)c1 ZINC000186642630 822928376 /nfs/dbraw/zinc/92/83/76/822928376.db2.gz YLIBXTULESARQY-HXUWFJFHSA-N 1 1 390.405 4.165 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c1C ZINC000569485688 822928588 /nfs/dbraw/zinc/92/85/88/822928588.db2.gz OHZNCNRLVIEFCG-UHFFFAOYSA-N 1 1 388.471 4.044 20 0 GIADMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000054993380 822929222 /nfs/dbraw/zinc/92/92/22/822929222.db2.gz RSIYMRNKCHQGKV-FGZHOGPDSA-N 1 1 394.515 4.204 20 0 GIADMO FC(F)(F)c1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)n1 ZINC000569511738 822932362 /nfs/dbraw/zinc/93/23/62/822932362.db2.gz JWBFQGCZBFICJL-OWZKRDHZSA-N 1 1 389.465 4.428 20 0 GIADMO CC(C)c1c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cnn1-c1ccc(Cl)cc1 ZINC000569516329 822933113 /nfs/dbraw/zinc/93/31/13/822933113.db2.gz CAHGTBBDSSHBTB-HNNXBMFYSA-N 1 1 376.932 4.108 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C(C)(C)C)C(F)(F)F)[C@H]1c1cccs1 ZINC000569541921 822937537 /nfs/dbraw/zinc/93/75/37/822937537.db2.gz GWPBGGJEJNYMNV-VHDGCEQUSA-N 1 1 391.503 4.407 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000055102735 822938307 /nfs/dbraw/zinc/93/83/07/822938307.db2.gz RQCZNEUMNJOXRF-AWEZNQCLSA-N 1 1 388.895 4.261 20 0 GIADMO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1-c1ncco1 ZINC000569561830 822940297 /nfs/dbraw/zinc/94/02/97/822940297.db2.gz KIUUCCNIOQFSAT-UXHICEINSA-N 1 1 376.460 4.217 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000055152462 822941282 /nfs/dbraw/zinc/94/12/82/822941282.db2.gz SUDZWASMFKCNSU-CHWSQXEVSA-N 1 1 394.874 4.483 20 0 GIADMO O=C(CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1c(Cl)cccc1Cl ZINC000186708242 822941620 /nfs/dbraw/zinc/94/16/20/822941620.db2.gz GZTBTOSQXUAKDQ-FQEVSTJZSA-N 1 1 391.298 4.453 20 0 GIADMO CCc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1C ZINC000186711626 822942435 /nfs/dbraw/zinc/94/24/35/822942435.db2.gz CRTZOPVQJCSWHE-RBUKOAKNSA-N 1 1 394.563 4.126 20 0 GIADMO COC(=O)[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(F)cc1 ZINC000569618917 822945844 /nfs/dbraw/zinc/94/58/44/822945844.db2.gz KVTMCBCNLFLMOR-VGOFRKELSA-N 1 1 384.495 4.062 20 0 GIADMO CCOc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000175360980 822946188 /nfs/dbraw/zinc/94/61/88/822946188.db2.gz KMJJAZPITNPFCN-HXUWFJFHSA-N 1 1 381.520 4.380 20 0 GIADMO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)c2ccccc21 ZINC000569634476 822947845 /nfs/dbraw/zinc/94/78/45/822947845.db2.gz XQWUZQSBDFIDFQ-DHIUTWEWSA-N 1 1 389.499 4.203 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000569652070 822950489 /nfs/dbraw/zinc/95/04/89/822950489.db2.gz WWTCNOMYEKSSAW-UHFFFAOYSA-N 1 1 393.362 4.209 20 0 GIADMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1OCC ZINC000175381241 822952632 /nfs/dbraw/zinc/95/26/32/822952632.db2.gz CFFGWAPVKNXBTK-DXPJPUQTSA-N 1 1 375.534 4.414 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000055403088 822957821 /nfs/dbraw/zinc/95/78/21/822957821.db2.gz RYRKKYAPWXZHSO-HZPDHXFCSA-N 1 1 378.607 4.406 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000055404772 822958004 /nfs/dbraw/zinc/95/80/04/822958004.db2.gz KYDZPFAGYCWOFE-HZPDHXFCSA-N 1 1 389.927 4.164 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000055404768 822958144 /nfs/dbraw/zinc/95/81/44/822958144.db2.gz QYSXMINGUIDUDD-JKSUJKDBSA-N 1 1 389.927 4.164 20 0 GIADMO O=C(C[C@@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)C1)NCc1ccc(F)cc1 ZINC000569720152 822958870 /nfs/dbraw/zinc/95/88/70/822958870.db2.gz PZVISFAUEWVUOZ-IBGZPJMESA-N 1 1 398.526 4.056 20 0 GIADMO O=C(C[C@@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1)NCc1ccc(F)cc1 ZINC000569720152 822958873 /nfs/dbraw/zinc/95/88/73/822958873.db2.gz PZVISFAUEWVUOZ-IBGZPJMESA-N 1 1 398.526 4.056 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)s1 ZINC000569721766 822959143 /nfs/dbraw/zinc/95/91/43/822959143.db2.gz HURFFSZZMMPAHD-QGZVFWFLSA-N 1 1 397.588 4.302 20 0 GIADMO C[C@H]1[C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000569729963 822959617 /nfs/dbraw/zinc/95/96/17/822959617.db2.gz ZIHUSTMRCZKAGH-OXJNMPFZSA-N 1 1 384.907 4.082 20 0 GIADMO C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Oc2cccnc2)cc1 ZINC000569730628 822960097 /nfs/dbraw/zinc/96/00/97/822960097.db2.gz GYRIYHOVNDYUTI-VGOFRKELSA-N 1 1 375.472 4.354 20 0 GIADMO C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(Oc2cccnc2)cc1 ZINC000569730629 822960142 /nfs/dbraw/zinc/96/01/42/822960142.db2.gz GYRIYHOVNDYUTI-VGSWGCGISA-N 1 1 375.472 4.354 20 0 GIADMO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)Nc1cccc(Oc2ccccc2)c1 ZINC000186816158 822960166 /nfs/dbraw/zinc/96/01/66/822960166.db2.gz ZAGCBZFCTIAHDA-UHFFFAOYSA-N 1 1 398.528 4.015 20 0 GIADMO O=C(C[N@H+]1CCSC2(CCOCC2)C1)Nc1cccc(Oc2ccccc2)c1 ZINC000186816158 822960167 /nfs/dbraw/zinc/96/01/67/822960167.db2.gz ZAGCBZFCTIAHDA-UHFFFAOYSA-N 1 1 398.528 4.015 20 0 GIADMO C[C@H](NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000569733589 822960304 /nfs/dbraw/zinc/96/03/04/822960304.db2.gz MASHQQGIXVILQY-SFHVURJKSA-N 1 1 395.522 4.098 20 0 GIADMO 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823036805 /nfs/dbraw/zinc/03/68/05/823036805.db2.gz JKLLQKTZSJFRDK-CYBMUJFWSA-N 1 1 396.384 4.490 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@@](C)(Cc3ccccc3)C3CC3)CC2)[nH+]1 ZINC000458408862 823037606 /nfs/dbraw/zinc/03/76/06/823037606.db2.gz XJMJDVDSADCFHK-DEOSSOPVSA-N 1 1 392.547 4.069 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N(C)[C@@H]3CCC[C@@H]3c3ccccc3)CC2)[nH+]c1 ZINC000458416097 823038120 /nfs/dbraw/zinc/03/81/20/823038120.db2.gz FAMJIBWKAUPDBN-FGZHOGPDSA-N 1 1 392.547 4.337 20 0 GIADMO Cc1cn2cc(NC(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000570439320 823038497 /nfs/dbraw/zinc/03/84/97/823038497.db2.gz UVEJCPKHVFTYCP-HXUWFJFHSA-N 1 1 391.519 4.067 20 0 GIADMO CSCC1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000458431392 823039629 /nfs/dbraw/zinc/03/96/29/823039629.db2.gz OIMICWCAGQSPCP-MPLMCADHSA-N 1 1 395.638 4.352 20 0 GIADMO CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175789449 823040660 /nfs/dbraw/zinc/04/06/60/823040660.db2.gz BEBHWLQEGCSVGT-XLIONFOSSA-N 1 1 387.549 4.029 20 0 GIADMO CCc1ncsc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570468740 823042068 /nfs/dbraw/zinc/04/20/68/823042068.db2.gz ZNZNGRNBDVLITM-WBMJQRKESA-N 1 1 396.919 4.313 20 0 GIADMO COc1ccc(CCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000175797030 823042460 /nfs/dbraw/zinc/04/24/60/823042460.db2.gz HNARWANOGBGGQA-INIZCTEOSA-N 1 1 393.487 4.008 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000175798572 823042894 /nfs/dbraw/zinc/04/28/94/823042894.db2.gz SMFDOXVWDUKGPY-MRXNPFEDSA-N 1 1 383.455 4.129 20 0 GIADMO CC(C)[N@@H+](CCc1nccs1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187327880 823044139 /nfs/dbraw/zinc/04/41/39/823044139.db2.gz VEWYOAAPXGYRFU-HNNXBMFYSA-N 1 1 387.318 4.031 20 0 GIADMO COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000570486372 823044746 /nfs/dbraw/zinc/04/47/46/823044746.db2.gz VSXOIZJOBKCLMG-JOCHJYFZSA-N 1 1 375.472 4.401 20 0 GIADMO CCOc1ncccc1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000177890250 823542149 /nfs/dbraw/zinc/54/21/49/823542149.db2.gz FNNPVICNACAACJ-MRXNPFEDSA-N 1 1 377.282 4.246 20 0 GIADMO CC(C)c1ccc(C[C@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)cc1 ZINC000460924066 823543345 /nfs/dbraw/zinc/54/33/45/823543345.db2.gz FPCFBNVGEJKCDR-SNWXZZBVSA-N 1 1 383.580 4.399 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)C2(c3ccc(Br)cc3)CCCC2)CC[N@H+]1C ZINC000123832509 823544051 /nfs/dbraw/zinc/54/40/51/823544051.db2.gz RVNBBELZCUOKSA-CRAIPNDOSA-N 1 1 393.369 4.202 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2cccc3ncccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123835196 823544139 /nfs/dbraw/zinc/54/41/39/823544139.db2.gz JIHKFQOHLQQCKM-VFNWGFHPSA-N 1 1 397.881 4.450 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000177930637 823547493 /nfs/dbraw/zinc/54/74/93/823547493.db2.gz DMIXRDKMOVZZON-OAHLLOKOSA-N 1 1 394.412 4.227 20 0 GIADMO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000123869426 823547626 /nfs/dbraw/zinc/54/76/26/823547626.db2.gz GJFSVHCICOFESB-ZDUSSCGKSA-N 1 1 377.410 4.451 20 0 GIADMO Cc1cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1NC(=O)CC(C)C ZINC000460945544 823548121 /nfs/dbraw/zinc/54/81/21/823548121.db2.gz AZBKNVIDCHPMIB-ZVDOUQERSA-N 1 1 399.579 4.457 20 0 GIADMO C[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000411149635 823551982 /nfs/dbraw/zinc/55/19/82/823551982.db2.gz WJVZLHNORIFTPR-LBPRGKRZSA-N 1 1 379.323 4.459 20 0 GIADMO C[C@H](Oc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123928793 823552448 /nfs/dbraw/zinc/55/24/48/823552448.db2.gz QTDCLLGBXMPBFB-YYFZDKIDSA-N 1 1 390.886 4.056 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2cc3ccccc3[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123932055 823552766 /nfs/dbraw/zinc/55/27/66/823552766.db2.gz WDJHTHRKPZSKQP-QRWLVFNGSA-N 1 1 385.870 4.383 20 0 GIADMO Cc1ccc2ncc(C[N@@H+]3CCCN(C(=O)c4ccc(F)cc4)CC3)cc2c1 ZINC000411160501 823553076 /nfs/dbraw/zinc/55/30/76/823553076.db2.gz XMPBTPIASMYNAU-UHFFFAOYSA-N 1 1 377.463 4.030 20 0 GIADMO Cc1ccc2ncc(C[N@H+]3CCCN(C(=O)c4ccc(F)cc4)CC3)cc2c1 ZINC000411160501 823553078 /nfs/dbraw/zinc/55/30/78/823553078.db2.gz XMPBTPIASMYNAU-UHFFFAOYSA-N 1 1 377.463 4.030 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(Br)ccc2C)c1 ZINC000460973319 823553674 /nfs/dbraw/zinc/55/36/74/823553674.db2.gz LRBHFQZFEDEBJI-UHFFFAOYSA-N 1 1 375.310 4.139 20 0 GIADMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@]2(C)OCCc3sccc32)cc1 ZINC000460974343 823553861 /nfs/dbraw/zinc/55/38/61/823553861.db2.gz TZHIYNCCKBGSKM-QFIPXVFZSA-N 1 1 386.561 4.198 20 0 GIADMO CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3nc4ccccc4c(=O)n3C)C2)cc1 ZINC000460975358 823554080 /nfs/dbraw/zinc/55/40/80/823554080.db2.gz FURRAQGFLBLFLT-LJQANCHMSA-N 1 1 375.516 4.122 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000460977479 823554630 /nfs/dbraw/zinc/55/46/30/823554630.db2.gz GSGWONSYSFIYJU-CQSZACIVSA-N 1 1 381.358 4.308 20 0 GIADMO CC[N@H+]1CC[C@@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)C1 ZINC000460979396 823554983 /nfs/dbraw/zinc/55/49/83/823554983.db2.gz QSTUVXKAFUFDMD-INIZCTEOSA-N 1 1 382.470 4.365 20 0 GIADMO Cc1csc2nc(C[N@@H+]3CC[C@@H](Cc4ccc(C(C)C)cc4)C3)cc(=O)n12 ZINC000460978773 823555014 /nfs/dbraw/zinc/55/50/14/823555014.db2.gz KFIGBJFCMKNYGG-SFHVURJKSA-N 1 1 381.545 4.252 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)CC1 ZINC000460991635 823556500 /nfs/dbraw/zinc/55/65/00/823556500.db2.gz UCBIUQYKWBAUFK-UHFFFAOYSA-N 1 1 395.547 4.245 20 0 GIADMO CC[C@H](c1ccccc1)[N@H+](CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000411201987 823556936 /nfs/dbraw/zinc/55/69/36/823556936.db2.gz UBFZCFYUQXWFNP-LJQANCHMSA-N 1 1 389.503 4.037 20 0 GIADMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000411201987 823556937 /nfs/dbraw/zinc/55/69/37/823556937.db2.gz UBFZCFYUQXWFNP-LJQANCHMSA-N 1 1 389.503 4.037 20 0 GIADMO Cc1cccn2cc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3cccnc3)nc12 ZINC000123991424 823558453 /nfs/dbraw/zinc/55/84/53/823558453.db2.gz ZDDFBMDNMUQZCO-UHFFFAOYSA-N 1 1 394.482 4.180 20 0 GIADMO CC(C)N1CCC([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411223066 823558499 /nfs/dbraw/zinc/55/84/99/823558499.db2.gz HFGVIEBVPDEPLK-HSZRJFAPSA-N 1 1 399.604 4.148 20 0 GIADMO CC(C)N1CCC([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411223066 823558500 /nfs/dbraw/zinc/55/85/00/823558500.db2.gz HFGVIEBVPDEPLK-HSZRJFAPSA-N 1 1 399.604 4.148 20 0 GIADMO O[C@H](C[N@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2)c1ccsc1 ZINC000190275187 823558504 /nfs/dbraw/zinc/55/85/04/823558504.db2.gz SBVDOJNWXGNUNN-OAQYLSRUSA-N 1 1 387.545 4.217 20 0 GIADMO C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1(F)F ZINC000461011156 823558579 /nfs/dbraw/zinc/55/85/79/823558579.db2.gz ZZQAFTRZOPCTJD-CUBALJKWSA-N 1 1 390.396 4.106 20 0 GIADMO CCN(c1nnc(C)n1Cc1cccs1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000461013956 823559141 /nfs/dbraw/zinc/55/91/41/823559141.db2.gz ILYKVNZBWMJHTC-YLJYHZDGSA-N 1 1 395.576 4.358 20 0 GIADMO CCN(c1nnc(C)n1Cc1cccs1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000461013923 823559154 /nfs/dbraw/zinc/55/91/54/823559154.db2.gz ILYKVNZBWMJHTC-FXAWDEMLSA-N 1 1 395.576 4.358 20 0 GIADMO Fc1cc(Br)ccc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000060815061 823559345 /nfs/dbraw/zinc/55/93/45/823559345.db2.gz SYGKUEUGINXYDR-UHFFFAOYSA-N 1 1 377.301 4.342 20 0 GIADMO COc1cccc(Cl)c1C[NH2+]Cc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000190303421 823560768 /nfs/dbraw/zinc/56/07/68/823560768.db2.gz ACQFYFFQZPSDMS-UHFFFAOYSA-N 1 1 377.275 4.181 20 0 GIADMO Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1NC(=O)Nc1ccccc1 ZINC000461023127 823560819 /nfs/dbraw/zinc/56/08/19/823560819.db2.gz CDXGCYHLHWWNLA-QGZVFWFLSA-N 1 1 382.508 4.098 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@](C)(O)CCC(C)C)cs1)c1ccc(F)cc1 ZINC000124043076 823562349 /nfs/dbraw/zinc/56/23/49/823562349.db2.gz ZJOYVSHFWARDCN-HXUWFJFHSA-N 1 1 393.528 4.244 20 0 GIADMO C[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@H]1CCCN(c2ccccc2)C1 ZINC000411300055 823563223 /nfs/dbraw/zinc/56/32/23/823563223.db2.gz BKNMWZZRYOCLCF-KRWDZBQOSA-N 1 1 382.895 4.090 20 0 GIADMO C[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@H]1CCCN(c2ccccc2)C1 ZINC000411300055 823563225 /nfs/dbraw/zinc/56/32/25/823563225.db2.gz BKNMWZZRYOCLCF-KRWDZBQOSA-N 1 1 382.895 4.090 20 0 GIADMO Cc1ccc(C)c([C@H]2CCC[N@H+]2Cn2nc(-c3cccnc3)n(C)c2=S)c1 ZINC000124051887 823563334 /nfs/dbraw/zinc/56/33/34/823563334.db2.gz GMIMEKOEYVCPQU-LJQANCHMSA-N 1 1 379.533 4.425 20 0 GIADMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cn2nc(-c3cccnc3)n(C)c2=S)c1 ZINC000124051887 823563335 /nfs/dbraw/zinc/56/33/35/823563335.db2.gz GMIMEKOEYVCPQU-LJQANCHMSA-N 1 1 379.533 4.425 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C ZINC000411304190 823563408 /nfs/dbraw/zinc/56/34/08/823563408.db2.gz BNXDRXYLRRUWAO-KKSFZXQISA-N 1 1 395.547 4.002 20 0 GIADMO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2CC(C)(C)C)c(OC)c1 ZINC000060877027 823564184 /nfs/dbraw/zinc/56/41/84/823564184.db2.gz HCMJMDZTDIRBTH-XLIONFOSSA-N 1 1 388.552 4.268 20 0 GIADMO CO[C@H](C)c1nc(CN2CCC[N@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411330242 823564872 /nfs/dbraw/zinc/56/48/72/823564872.db2.gz KSBLHLSNYGKRCZ-UIAACRFSSA-N 1 1 389.540 4.053 20 0 GIADMO C[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1nc(-c2ccncc2)cs1 ZINC000124080517 823565850 /nfs/dbraw/zinc/56/58/50/823565850.db2.gz IHHWVZYAGCNXCE-INIZCTEOSA-N 1 1 375.501 4.301 20 0 GIADMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000190376552 823567498 /nfs/dbraw/zinc/56/74/98/823567498.db2.gz HRRRVLHLTFGQJC-UHFFFAOYSA-N 1 1 376.378 4.058 20 0 GIADMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1Br)Cc1cccnc1 ZINC000411408131 823570983 /nfs/dbraw/zinc/57/09/83/823570983.db2.gz LSJVVQRYNPANQA-UHFFFAOYSA-N 1 1 376.298 4.083 20 0 GIADMO Cc1cccc(C)c1NCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461076599 823571188 /nfs/dbraw/zinc/57/11/88/823571188.db2.gz PFZQIYIEQHACQB-IRLDBZIGSA-N 1 1 379.548 4.227 20 0 GIADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461081115 823572524 /nfs/dbraw/zinc/57/25/24/823572524.db2.gz FSAOCKMFHYUNDO-MRXNPFEDSA-N 1 1 393.959 4.319 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNCc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000061012602 823572704 /nfs/dbraw/zinc/57/27/04/823572704.db2.gz LXNNOWURXDCKRH-KRWDZBQOSA-N 1 1 381.351 4.121 20 0 GIADMO CCN1CCC[C@H]1C[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000061012602 823572706 /nfs/dbraw/zinc/57/27/06/823572706.db2.gz LXNNOWURXDCKRH-KRWDZBQOSA-N 1 1 381.351 4.121 20 0 GIADMO C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@@H]4c4cccnc4)nc(N)c23)C1 ZINC000411424191 823572789 /nfs/dbraw/zinc/57/27/89/823572789.db2.gz VZWFLDMTSNDKTI-WMLDXEAASA-N 1 1 393.560 4.173 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000411429442 823573178 /nfs/dbraw/zinc/57/31/78/823573178.db2.gz MJANZPCXVCSFPD-OAQYLSRUSA-N 1 1 390.487 4.154 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1c1ncc[nH]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000411429442 823573180 /nfs/dbraw/zinc/57/31/80/823573180.db2.gz MJANZPCXVCSFPD-OAQYLSRUSA-N 1 1 390.487 4.154 20 0 GIADMO C[C@]1(CCCO)CCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411441303 823574393 /nfs/dbraw/zinc/57/43/93/823574393.db2.gz PQNOJXFFUHQGAG-HSZRJFAPSA-N 1 1 382.504 4.435 20 0 GIADMO CC(C)Oc1cccc([C@H](C)NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000124174493 823574512 /nfs/dbraw/zinc/57/45/12/823574512.db2.gz ZNSAOBYLKRZEMG-LRXVAGHRSA-N 1 1 385.552 4.193 20 0 GIADMO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2OC(F)F)c1C ZINC000411442925 823574568 /nfs/dbraw/zinc/57/45/68/823574568.db2.gz HUDOUQNENJUCHT-DGCLKSJQSA-N 1 1 378.419 4.358 20 0 GIADMO CCCOc1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000124178766 823574976 /nfs/dbraw/zinc/57/49/76/823574976.db2.gz GXDYMMHSQJIGHG-IBGZPJMESA-N 1 1 398.551 4.182 20 0 GIADMO FC(F)(F)Oc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124187786 823575837 /nfs/dbraw/zinc/57/58/37/823575837.db2.gz BHTOIHGJPDKLEZ-MRXNPFEDSA-N 1 1 394.441 4.283 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000461100983 823577295 /nfs/dbraw/zinc/57/72/95/823577295.db2.gz CEPQLFUXXSASQO-LAUBAEHRSA-N 1 1 385.939 4.352 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cccc(-c3csc(C)n3)c2)c1 ZINC000124212333 823577850 /nfs/dbraw/zinc/57/78/50/823577850.db2.gz QWXPTHZEQMKIMU-UHFFFAOYSA-N 1 1 375.457 4.260 20 0 GIADMO CCSc1ccc([C@@H](C)[NH2+]Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc1 ZINC000411466523 823578134 /nfs/dbraw/zinc/57/81/34/823578134.db2.gz RXXOETMFEDRVDB-CYBMUJFWSA-N 1 1 397.500 4.085 20 0 GIADMO CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000190470551 823578745 /nfs/dbraw/zinc/57/87/45/823578745.db2.gz BALUDEGLALPMSE-HRAATJIYSA-N 1 1 377.488 4.018 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccccc1-c1ccc(Cl)cc1)c1nc(N)nc(N(C)C)n1 ZINC000411472930 823578948 /nfs/dbraw/zinc/57/89/48/823578948.db2.gz URHYZQPMLMCMQU-UONOGXRCSA-N 1 1 396.926 4.082 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)Nc1ccc(Cl)cc1Cl ZINC000461111883 823579714 /nfs/dbraw/zinc/57/97/14/823579714.db2.gz LHVHIQNVMYVJQU-OAHLLOKOSA-N 1 1 380.275 4.204 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000124245190 823580568 /nfs/dbraw/zinc/58/05/68/823580568.db2.gz QXWFWFWAEZXPIG-AWEZNQCLSA-N 1 1 392.341 4.028 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2OCc2ccccc2Cl)CC[N@H+]1C ZINC000124243583 823580650 /nfs/dbraw/zinc/58/06/50/823580650.db2.gz YTUDZVLXLMSXJN-FUHWJXTLSA-N 1 1 386.923 4.474 20 0 GIADMO CC[C@@H](CO)[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000411501600 823581896 /nfs/dbraw/zinc/58/18/96/823581896.db2.gz HQZBHJBPKAPALY-KRWDZBQOSA-N 1 1 394.437 4.307 20 0 GIADMO CC(C)[N@H+](CCCOc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000061172841 823582331 /nfs/dbraw/zinc/58/23/31/823582331.db2.gz XJHMMVDVQNXUKW-UHFFFAOYSA-N 1 1 385.895 4.256 20 0 GIADMO CC(C)[N@@H+](CCCOc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000061172841 823582333 /nfs/dbraw/zinc/58/23/33/823582333.db2.gz XJHMMVDVQNXUKW-UHFFFAOYSA-N 1 1 385.895 4.256 20 0 GIADMO C[N@H+](Cc1cccnc1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190512194 823582634 /nfs/dbraw/zinc/58/26/34/823582634.db2.gz QGFSRPWEQJSARI-QGZVFWFLSA-N 1 1 391.309 4.034 20 0 GIADMO C[N@@H+](Cc1cccnc1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190512194 823582638 /nfs/dbraw/zinc/58/26/38/823582638.db2.gz QGFSRPWEQJSARI-QGZVFWFLSA-N 1 1 391.309 4.034 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190517337 823582957 /nfs/dbraw/zinc/58/29/57/823582957.db2.gz YNYKLHKCJHKYNX-INIZCTEOSA-N 1 1 399.510 4.216 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000411521715 823584233 /nfs/dbraw/zinc/58/42/33/823584233.db2.gz BZNUVZNCHBUARQ-KDOFPFPSSA-N 1 1 388.309 4.256 20 0 GIADMO CCN(Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411523820 823584521 /nfs/dbraw/zinc/58/45/21/823584521.db2.gz GUCHZXYUNRRXKF-SFHVURJKSA-N 1 1 396.922 4.085 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3ccccc3F)n2)ccc1F ZINC000411532836 823585554 /nfs/dbraw/zinc/58/55/54/823585554.db2.gz LZSNNPVKCKUPGO-ZDUSSCGKSA-N 1 1 386.402 4.003 20 0 GIADMO CSCC[C@@H]([NH2+]Cc1cnc2ccc(C)cc2c1)c1nnc2ccccn21 ZINC000411533997 823585626 /nfs/dbraw/zinc/58/56/26/823585626.db2.gz NGKDVJFSZNJZFT-LJQANCHMSA-N 1 1 377.517 4.170 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[NH2+]CCC(=O)Nc3ccccc3F)n2)cc1F ZINC000411539048 823586253 /nfs/dbraw/zinc/58/62/53/823586253.db2.gz VGKTXWQYAITRCP-ZDUSSCGKSA-N 1 1 386.402 4.003 20 0 GIADMO C[N@@H+]1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC000061251961 823587350 /nfs/dbraw/zinc/58/73/50/823587350.db2.gz WUZRNKFKJBEPKD-QGZVFWFLSA-N 1 1 395.450 4.271 20 0 GIADMO C[N@H+]1CCN(C(=S)Nc2ccc(OC(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC000061251961 823587352 /nfs/dbraw/zinc/58/73/52/823587352.db2.gz WUZRNKFKJBEPKD-QGZVFWFLSA-N 1 1 395.450 4.271 20 0 GIADMO CC[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1cccc(Cl)c1 ZINC000061253812 823587465 /nfs/dbraw/zinc/58/74/65/823587465.db2.gz NYBDGGLDTVMTJY-UHFFFAOYSA-N 1 1 396.865 4.422 20 0 GIADMO CC[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1cccc(Cl)c1 ZINC000061253812 823587468 /nfs/dbraw/zinc/58/74/68/823587468.db2.gz NYBDGGLDTVMTJY-UHFFFAOYSA-N 1 1 396.865 4.422 20 0 GIADMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000061255822 823587689 /nfs/dbraw/zinc/58/76/89/823587689.db2.gz XUQGGFMVMLYCAE-WIYYLYMNSA-N 1 1 394.515 4.123 20 0 GIADMO CC(C)Cc1nc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cs1 ZINC000061284670 823589145 /nfs/dbraw/zinc/58/91/45/823589145.db2.gz SVUGWXNFGRXQIK-UHFFFAOYSA-N 1 1 375.563 4.143 20 0 GIADMO Cc1ccc(OCCC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1C ZINC000061285043 823589291 /nfs/dbraw/zinc/58/92/91/823589291.db2.gz IKFKPYTYXLGIOL-UHFFFAOYSA-N 1 1 384.545 4.260 20 0 GIADMO COc1ccc(Cl)cc1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285172 823589387 /nfs/dbraw/zinc/58/93/87/823589387.db2.gz GFUQBYPNTSLCOT-UHFFFAOYSA-N 1 1 390.936 4.079 20 0 GIADMO COC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000061286116 823589552 /nfs/dbraw/zinc/58/95/52/823589552.db2.gz QZULPJHLBHRSAW-QGZVFWFLSA-N 1 1 395.503 4.169 20 0 GIADMO Cc1cc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c2ccccc2n1 ZINC000124365806 823590643 /nfs/dbraw/zinc/59/06/43/823590643.db2.gz GBAFFRCSHNVGJD-UHFFFAOYSA-N 1 1 375.472 4.250 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000411629564 823592321 /nfs/dbraw/zinc/59/23/21/823592321.db2.gz DCPBXUIKEDVMQT-UHFFFAOYSA-N 1 1 387.915 4.104 20 0 GIADMO CSc1ccc(OC[C@H](O)C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)cc1 ZINC000411658274 823595278 /nfs/dbraw/zinc/59/52/78/823595278.db2.gz KZTUJQAYDLZADM-AUSIDOKSSA-N 1 1 394.540 4.231 20 0 GIADMO CCCCN(C)Cn1nc([C@@H](CC)[NH+](C)C)n(-c2ccc(OC)cc2)c1=S ZINC000124425086 823595612 /nfs/dbraw/zinc/59/56/12/823595612.db2.gz DVXZSRUKIFVAOJ-GOSISDBHSA-N 1 1 391.585 4.114 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000190673704 823597365 /nfs/dbraw/zinc/59/73/65/823597365.db2.gz UPIDAWWPRDCZCT-QGZVFWFLSA-N 1 1 375.557 4.298 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+][C@@H](CCOC)c2ccc(Cl)c(Cl)c2)nc1 ZINC000411704415 823598259 /nfs/dbraw/zinc/59/82/59/823598259.db2.gz UFEHWXKWDYSHOC-SFHVURJKSA-N 1 1 397.302 4.433 20 0 GIADMO CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2)c1ccccc1 ZINC000411742922 823601597 /nfs/dbraw/zinc/60/15/97/823601597.db2.gz FXQJNPFTHHNNGN-DYESRHJHSA-N 1 1 393.531 4.253 20 0 GIADMO CCc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)nc1 ZINC000411743444 823601737 /nfs/dbraw/zinc/60/17/37/823601737.db2.gz HXHOKBNSPOOEEJ-CQSZACIVSA-N 1 1 393.325 4.019 20 0 GIADMO Cc1nc(C[NH2+]Cc2ccc(Br)c(Br)c2)cs1 ZINC000124530313 823604063 /nfs/dbraw/zinc/60/40/63/823604063.db2.gz GHRFTCXOVJSYLI-UHFFFAOYSA-N 1 1 376.117 4.266 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(Br)c(Br)c2)C1 ZINC000124545590 823605284 /nfs/dbraw/zinc/60/52/84/823605284.db2.gz CWSUMCMMOHZPBT-CYBMUJFWSA-N 1 1 390.163 4.032 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNCc2ccc(Br)c(Br)c2)C1 ZINC000124545590 823605287 /nfs/dbraw/zinc/60/52/87/823605287.db2.gz CWSUMCMMOHZPBT-CYBMUJFWSA-N 1 1 390.163 4.032 20 0 GIADMO C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)[C@@H](CO)CC(C)(C)C ZINC000411796463 823605659 /nfs/dbraw/zinc/60/56/59/823605659.db2.gz SBQVPGMCGOSWHO-OAHLLOKOSA-N 1 1 385.533 4.293 20 0 GIADMO C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)[C@@H](CO)CC(C)(C)C ZINC000411796463 823605663 /nfs/dbraw/zinc/60/56/63/823605663.db2.gz SBQVPGMCGOSWHO-OAHLLOKOSA-N 1 1 385.533 4.293 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000461255404 823605730 /nfs/dbraw/zinc/60/57/30/823605730.db2.gz CQEZVBQWPCQCMW-LBPRGKRZSA-N 1 1 383.970 4.471 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000461255931 823605817 /nfs/dbraw/zinc/60/58/17/823605817.db2.gz FRUCVSNRIQSRSL-GOSISDBHSA-N 1 1 392.503 4.079 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 ZINC000461256119 823605952 /nfs/dbraw/zinc/60/59/52/823605952.db2.gz GWWCFTAQSYRVBZ-IBGZPJMESA-N 1 1 398.551 4.272 20 0 GIADMO C[C@@H]1Cc2c([nH+]cn2CCC(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000411803694 823606315 /nfs/dbraw/zinc/60/63/15/823606315.db2.gz WMEKTEJDWOIWPK-QWHCGFSZSA-N 1 1 376.298 4.045 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000461260031 823606903 /nfs/dbraw/zinc/60/69/03/823606903.db2.gz GGXJMORVWFZGBI-LJQANCHMSA-N 1 1 385.577 4.302 20 0 GIADMO C[NH+](C)[C@@H](C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1ccccc1 ZINC000061637776 823607232 /nfs/dbraw/zinc/60/72/32/823607232.db2.gz DXVFVHNNJMCKGH-XMMPIXPASA-N 1 1 386.495 4.208 20 0 GIADMO COc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(OC(F)F)c1 ZINC000124573432 823607502 /nfs/dbraw/zinc/60/75/02/823607502.db2.gz GLXZKDVUTYQASE-HXUWFJFHSA-N 1 1 377.431 4.242 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(C)(C)c1ccc(Br)cc1 ZINC000461266834 823609023 /nfs/dbraw/zinc/60/90/23/823609023.db2.gz XOTYSURGDWZAQQ-QGZVFWFLSA-N 1 1 381.358 4.060 20 0 GIADMO COc1ccc(Oc2cc(C[NH2+]Cc3nccn3-c3ccccc3)ccn2)cc1 ZINC000190788924 823609180 /nfs/dbraw/zinc/60/91/80/823609180.db2.gz FESBLGMKWIAEIX-UHFFFAOYSA-N 1 1 386.455 4.358 20 0 GIADMO Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2CCc2cccnc2)n1 ZINC000190790681 823609360 /nfs/dbraw/zinc/60/93/60/823609360.db2.gz IALXTQSMWLMYMT-KRWDZBQOSA-N 1 1 399.292 4.274 20 0 GIADMO COc1ccnc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1OC ZINC000190795801 823609969 /nfs/dbraw/zinc/60/99/69/823609969.db2.gz ROQGWEVSHHNTDX-UHFFFAOYSA-N 1 1 377.282 4.030 20 0 GIADMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000461289701 823612234 /nfs/dbraw/zinc/61/22/34/823612234.db2.gz HAXHMMIUGFANOL-HLAWJBBLSA-N 1 1 397.563 4.053 20 0 GIADMO Cc1ccccc1-c1nnc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)n1Cc1cccs1 ZINC000461293472 823612908 /nfs/dbraw/zinc/61/29/08/823612908.db2.gz NSOWMIYHNVWFSI-GOSISDBHSA-N 1 1 393.560 4.036 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000124637624 823613075 /nfs/dbraw/zinc/61/30/75/823613075.db2.gz SLOCBHIVOMSPIM-INIZCTEOSA-N 1 1 394.471 4.078 20 0 GIADMO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190822508 823613161 /nfs/dbraw/zinc/61/31/61/823613161.db2.gz AMFQGKCZJCBWCT-ROUUACIJSA-N 1 1 382.552 4.352 20 0 GIADMO CCN(C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)C1CC(C)(C)C1 ZINC000411894307 823613635 /nfs/dbraw/zinc/61/36/35/823613635.db2.gz RDGUAYNASBYVFP-INIZCTEOSA-N 1 1 385.552 4.022 20 0 GIADMO C[C@H](Cc1ccsc1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788406 823614337 /nfs/dbraw/zinc/61/43/37/823614337.db2.gz KHAKLRBKIZSSEC-OAHLLOKOSA-N 1 1 375.563 4.050 20 0 GIADMO O=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789643 823614439 /nfs/dbraw/zinc/61/44/39/823614439.db2.gz ICWWZNAEPBLHBM-UHFFFAOYSA-N 1 1 394.544 4.081 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000061789372 823614475 /nfs/dbraw/zinc/61/44/75/823614475.db2.gz QPVPDPHYNCJYQB-UHFFFAOYSA-N 1 1 399.560 4.344 20 0 GIADMO COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790030 823614492 /nfs/dbraw/zinc/61/44/92/823614492.db2.gz QFCKWSHOSSQNKY-KRWDZBQOSA-N 1 1 399.560 4.435 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)[nH]c2c1 ZINC000061794726 823615135 /nfs/dbraw/zinc/61/51/35/823615135.db2.gz UIHUWMBJRRGEDP-RTWAWAEBSA-N 1 1 391.519 4.021 20 0 GIADMO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411945246 823615589 /nfs/dbraw/zinc/61/55/89/823615589.db2.gz PIVJQLJPGXUJPL-NWDGAFQWSA-N 1 1 382.291 4.120 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411945249 823615671 /nfs/dbraw/zinc/61/56/71/823615671.db2.gz PIVJQLJPGXUJPL-VXGBXAGGSA-N 1 1 382.291 4.120 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)c1OC ZINC000411952946 823616144 /nfs/dbraw/zinc/61/61/44/823616144.db2.gz UANLXMUAQJXSBF-IEBWSBKVSA-N 1 1 396.512 4.135 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cs2)c1OC ZINC000411952946 823616145 /nfs/dbraw/zinc/61/61/45/823616145.db2.gz UANLXMUAQJXSBF-IEBWSBKVSA-N 1 1 396.512 4.135 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCCC[NH+]3CCC(C)CC3)[nH]c2c1 ZINC000061864455 823616395 /nfs/dbraw/zinc/61/63/95/823616395.db2.gz KWMZOHFUSXPLAJ-NRFANRHFSA-N 1 1 397.567 4.230 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 ZINC000061862025 823616421 /nfs/dbraw/zinc/61/64/21/823616421.db2.gz KQOIQNQSXNBUJE-GOSISDBHSA-N 1 1 383.536 4.486 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000411959868 823616852 /nfs/dbraw/zinc/61/68/52/823616852.db2.gz YPNNTMXCMJNXSF-WMLDXEAASA-N 1 1 390.270 4.351 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000411959868 823616856 /nfs/dbraw/zinc/61/68/56/823616856.db2.gz YPNNTMXCMJNXSF-WMLDXEAASA-N 1 1 390.270 4.351 20 0 GIADMO CCC[N@@H+](CCCn1ccnc1C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000124683592 823616984 /nfs/dbraw/zinc/61/69/84/823616984.db2.gz MZXCTJOTTMMYHP-UHFFFAOYSA-N 1 1 383.323 4.239 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(C(C)=O)cc1)C(C)C ZINC000411978318 823617667 /nfs/dbraw/zinc/61/76/67/823617667.db2.gz CSPMSJBWWYMWAW-HXUWFJFHSA-N 1 1 387.545 4.261 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)cs1)C1CC1 ZINC000411989009 823618359 /nfs/dbraw/zinc/61/83/59/823618359.db2.gz QVADJHPXWHPTEP-FQEVSTJZSA-N 1 1 381.545 4.428 20 0 GIADMO CCN(C(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000411993369 823618949 /nfs/dbraw/zinc/61/89/49/823618949.db2.gz ZBDMVDWCPFFMBQ-SIKLNZKXSA-N 1 1 378.516 4.282 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cn2cc(C)ccc2n1)C(C)C ZINC000411991874 823618956 /nfs/dbraw/zinc/61/89/56/823618956.db2.gz YLMHJKCMNFSQIQ-LJQANCHMSA-N 1 1 399.560 4.015 20 0 GIADMO FC(F)(F)COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cn1 ZINC000411994664 823619139 /nfs/dbraw/zinc/61/91/39/823619139.db2.gz ATYZMCFDIHJVJA-LJQANCHMSA-N 1 1 392.421 4.376 20 0 GIADMO FC(F)(F)COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cn1 ZINC000411994664 823619140 /nfs/dbraw/zinc/61/91/40/823619140.db2.gz ATYZMCFDIHJVJA-LJQANCHMSA-N 1 1 392.421 4.376 20 0 GIADMO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995208 823619151 /nfs/dbraw/zinc/61/91/51/823619151.db2.gz CILIQVJEZJZXAS-PWHSHALESA-N 1 1 390.527 4.206 20 0 GIADMO C[C@@H](NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000124703937 823619146 /nfs/dbraw/zinc/61/91/46/823619146.db2.gz JGEXXEZGJJHUFS-CQSZACIVSA-N 1 1 394.441 4.164 20 0 GIADMO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995609 823619479 /nfs/dbraw/zinc/61/94/79/823619479.db2.gz DRGFGIGGYHQHGQ-DENIHFKCSA-N 1 1 382.548 4.235 20 0 GIADMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411995609 823619480 /nfs/dbraw/zinc/61/94/80/823619480.db2.gz DRGFGIGGYHQHGQ-DENIHFKCSA-N 1 1 382.548 4.235 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411996701 823619650 /nfs/dbraw/zinc/61/96/50/823619650.db2.gz HFFDXBNKGPCIMW-UTKZUKDTSA-N 1 1 382.479 4.315 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411996701 823619652 /nfs/dbraw/zinc/61/96/52/823619652.db2.gz HFFDXBNKGPCIMW-UTKZUKDTSA-N 1 1 382.479 4.315 20 0 GIADMO O=C1[C@@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCN1c1cccc(F)c1 ZINC000411998046 823619835 /nfs/dbraw/zinc/61/98/35/823619835.db2.gz KBSMYNZPXALLQM-VXKWHMMOSA-N 1 1 394.490 4.175 20 0 GIADMO O=C1[C@@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCN1c1cccc(F)c1 ZINC000411998046 823619836 /nfs/dbraw/zinc/61/98/36/823619836.db2.gz KBSMYNZPXALLQM-VXKWHMMOSA-N 1 1 394.490 4.175 20 0 GIADMO Cc1csc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000190889830 823620130 /nfs/dbraw/zinc/62/01/30/823620130.db2.gz CIHIQDOGNQPPGP-BETUJISGSA-N 1 1 387.387 4.307 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000124714783 823620154 /nfs/dbraw/zinc/62/01/54/823620154.db2.gz IKXHOICBCTXZGB-RHSMWYFYSA-N 1 1 389.590 4.299 20 0 GIADMO Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412000909 823620457 /nfs/dbraw/zinc/62/04/57/823620457.db2.gz PHPWBHGRQXFJMF-NZQKXSOJSA-N 1 1 392.543 4.196 20 0 GIADMO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412004070 823621088 /nfs/dbraw/zinc/62/10/88/823621088.db2.gz YAULTLKIIBHKQM-GOTSBHOMSA-N 1 1 392.543 4.450 20 0 GIADMO CCOc1ccc(NC(=O)CC[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412006050 823621534 /nfs/dbraw/zinc/62/15/34/823621534.db2.gz BFLZALZFYOUEQO-QHCPKHFHSA-N 1 1 394.515 4.268 20 0 GIADMO COC[C@H]1CCC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000124734055 823621900 /nfs/dbraw/zinc/62/19/00/823621900.db2.gz DPJQIYWUBJVFTR-LBPRGKRZSA-N 1 1 377.120 4.070 20 0 GIADMO COC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000124734055 823621901 /nfs/dbraw/zinc/62/19/01/823621901.db2.gz DPJQIYWUBJVFTR-LBPRGKRZSA-N 1 1 377.120 4.070 20 0 GIADMO OCC1([C@H]([NH2+]Cc2nncn2-c2ccccc2)c2ccccc2)CCCCC1 ZINC000412008810 823622070 /nfs/dbraw/zinc/62/20/70/823622070.db2.gz MJXKQNYKISYDBB-JOCHJYFZSA-N 1 1 376.504 4.041 20 0 GIADMO CC(C)(C)CN1CCC[C@H]([N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000461357286 823622123 /nfs/dbraw/zinc/62/21/23/823622123.db2.gz BUWYDJKHUWTVFH-QAPCUYQASA-N 1 1 387.499 4.183 20 0 GIADMO COC(=O)c1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1Cl ZINC000412009926 823622224 /nfs/dbraw/zinc/62/22/24/823622224.db2.gz HFETXYNPYQGVIX-HXUWFJFHSA-N 1 1 385.891 4.480 20 0 GIADMO COC(=O)c1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1Cl ZINC000412009926 823622226 /nfs/dbraw/zinc/62/22/26/823622226.db2.gz HFETXYNPYQGVIX-HXUWFJFHSA-N 1 1 385.891 4.480 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000412059577 823624943 /nfs/dbraw/zinc/62/49/43/823624943.db2.gz XQDBFDVGHYZIIU-PNSHKWOCSA-N 1 1 391.353 4.329 20 0 GIADMO CCc1ccc(C(=O)CCC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062231396 823625262 /nfs/dbraw/zinc/62/52/62/823625262.db2.gz SKILNUWKMZIMPD-QFIPXVFZSA-N 1 1 392.543 4.240 20 0 GIADMO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062230945 823625346 /nfs/dbraw/zinc/62/53/46/823625346.db2.gz SYHGLCLEHPQEGR-IBGZPJMESA-N 1 1 390.449 4.276 20 0 GIADMO COC(=O)[C@@]1(C)CCC[N@H+]([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000412065963 823625529 /nfs/dbraw/zinc/62/55/29/823625529.db2.gz LHBAARTVGNHXGO-ZMZPIMSZSA-N 1 1 398.290 4.380 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000412067281 823625564 /nfs/dbraw/zinc/62/55/64/823625564.db2.gz MDCPFBYGZXTPPL-FQEVSTJZSA-N 1 1 383.536 4.265 20 0 GIADMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000412067281 823625567 /nfs/dbraw/zinc/62/55/67/823625567.db2.gz MDCPFBYGZXTPPL-FQEVSTJZSA-N 1 1 383.536 4.265 20 0 GIADMO CC(C)(CC(F)F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000412105937 823626781 /nfs/dbraw/zinc/62/67/81/823626781.db2.gz BCDOQWXBRGHAOM-CQSZACIVSA-N 1 1 378.385 4.077 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2cccc3c2OCCO3)c2ccc(F)cc2)cc1 ZINC000062258669 823626941 /nfs/dbraw/zinc/62/69/41/823626941.db2.gz HHSDNHHSEYJRQH-JOCHJYFZSA-N 1 1 379.431 4.485 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000412123401 823627973 /nfs/dbraw/zinc/62/79/73/823627973.db2.gz HHVNRPVQUKEDQV-XZOQPEGZSA-N 1 1 390.483 4.037 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000412123401 823627975 /nfs/dbraw/zinc/62/79/75/823627975.db2.gz HHVNRPVQUKEDQV-XZOQPEGZSA-N 1 1 390.483 4.037 20 0 GIADMO COc1cc(Cl)c(F)c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000412132282 823628836 /nfs/dbraw/zinc/62/88/36/823628836.db2.gz PTYFYLMEXUZUDO-KZULUSFZSA-N 1 1 396.915 4.362 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000412132429 823628843 /nfs/dbraw/zinc/62/88/43/823628843.db2.gz QCLDWWAJMQITOE-DVECYGJZSA-N 1 1 392.543 4.399 20 0 GIADMO FC(F)(F)Cn1nnnc1C[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000190948701 823629124 /nfs/dbraw/zinc/62/91/24/823629124.db2.gz SANLMIRKQBMBQM-GOSISDBHSA-N 1 1 389.425 4.089 20 0 GIADMO COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412136077 823629194 /nfs/dbraw/zinc/62/91/94/823629194.db2.gz VVTXRBQTHXDXNI-VGSGFSFPSA-N 1 1 392.543 4.310 20 0 GIADMO Cc1c2cccc(Cl)c2[nH]c1C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000412140774 823629733 /nfs/dbraw/zinc/62/97/33/823629733.db2.gz XOCZZPQDSWVTBX-UHFFFAOYSA-N 1 1 382.895 4.232 20 0 GIADMO C[NH+](C)C1(CNCc2ccccc2Oc2ccc(F)cc2Cl)CCOCC1 ZINC000461419018 823632355 /nfs/dbraw/zinc/63/23/55/823632355.db2.gz FUUVWTWBGPWKKE-UHFFFAOYSA-N 1 1 392.902 4.472 20 0 GIADMO Cc1csc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1Br ZINC000190970432 823632460 /nfs/dbraw/zinc/63/24/60/823632460.db2.gz NBKSJKHWWAUJSW-DZGCQCFKSA-N 1 1 393.350 4.212 20 0 GIADMO Cc1c(Cl)cccc1-n1c(SC[C@H]2CC[N@H+](C)C2)nnc1-c1ccncc1 ZINC000190971045 823632565 /nfs/dbraw/zinc/63/25/65/823632565.db2.gz PCYABDVUMCYALJ-HNNXBMFYSA-N 1 1 399.951 4.335 20 0 GIADMO O=C(Cc1cccc(C(F)F)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461420527 823632805 /nfs/dbraw/zinc/63/28/05/823632805.db2.gz BCKYDMWGJKWUFU-LEWJYISDSA-N 1 1 384.470 4.147 20 0 GIADMO O=C(c1ccc(-c2ccccc2)[nH]1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461421480 823633095 /nfs/dbraw/zinc/63/30/95/823633095.db2.gz CPGMQTSPJOQNBN-YADHBBJMSA-N 1 1 385.511 4.276 20 0 GIADMO CC[C@H](OC1CCCCC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461426974 823634358 /nfs/dbraw/zinc/63/43/58/823634358.db2.gz LFTPKHZAMHODDB-GIWBLDEGSA-N 1 1 384.564 4.095 20 0 GIADMO O=C(CCc1cncc2ccccc21)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461427021 823634559 /nfs/dbraw/zinc/63/45/59/823634559.db2.gz KITXHHZSBHVAIG-DNQXCXABSA-N 1 1 399.538 4.148 20 0 GIADMO O=C([C@@H]1C[C@H]1c1cccc(O)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000412195472 823634593 /nfs/dbraw/zinc/63/45/93/823634593.db2.gz PUINTVMAEOQBQB-IQFVJIFQSA-N 1 1 390.527 4.009 20 0 GIADMO CCC(CC)n1ncc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000461428254 823634891 /nfs/dbraw/zinc/63/48/91/823634891.db2.gz MRIYQDOAEKHKTC-NHCUHLMSSA-N 1 1 394.563 4.147 20 0 GIADMO Cc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc2ccccc12 ZINC000461429884 823635081 /nfs/dbraw/zinc/63/50/81/823635081.db2.gz PDLXNLDDKIVXQK-SFTDATJTSA-N 1 1 385.511 4.137 20 0 GIADMO Cc1ccc(C[C@H](C)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000461433240 823636252 /nfs/dbraw/zinc/63/62/52/823636252.db2.gz WIZLSGBIWKUAFD-OYDLWJJNSA-N 1 1 376.544 4.154 20 0 GIADMO CS[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461433112 823636256 /nfs/dbraw/zinc/63/62/56/823636256.db2.gz PONBQKZGWPXXDQ-VSKRKVRLSA-N 1 1 380.557 4.071 20 0 GIADMO CCC(CC)n1nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000461434299 823636445 /nfs/dbraw/zinc/63/64/45/823636445.db2.gz XWMCNTBNNGKUII-NHCUHLMSSA-N 1 1 394.563 4.147 20 0 GIADMO C[N@H+]1CC[C@H](CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)C1 ZINC000191001125 823636857 /nfs/dbraw/zinc/63/68/57/823636857.db2.gz KMMUSHLXFSXOKR-NNIWKIFQSA-N 1 1 395.503 4.254 20 0 GIADMO Cc1ccnc2ccc(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000461435775 823636895 /nfs/dbraw/zinc/63/68/95/823636895.db2.gz ZWXQYAJOCUGBOB-FCHUYYIVSA-N 1 1 385.511 4.137 20 0 GIADMO Cc1nc(CC(C)C)c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000461440099 823637789 /nfs/dbraw/zinc/63/77/89/823637789.db2.gz WSZLGMBCXWYJGV-UXHICEINSA-N 1 1 397.588 4.244 20 0 GIADMO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ncnc3cc(F)c(F)cc32)CC1 ZINC000461441713 823638320 /nfs/dbraw/zinc/63/83/20/823638320.db2.gz GZDXHFLYHOXZAW-ZDUSSCGKSA-N 1 1 388.849 4.445 20 0 GIADMO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1(c2ccc(Cl)cc2)CC1 ZINC000461441897 823638489 /nfs/dbraw/zinc/63/84/89/823638489.db2.gz DLFIYAPAZQRNLF-VQTJNVASSA-N 1 1 394.946 4.352 20 0 GIADMO O=C(c1coc(C2CCCCC2)n1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443126 823638620 /nfs/dbraw/zinc/63/86/20/823638620.db2.gz ILQOTTMJMXLNPP-RTWAWAEBSA-N 1 1 393.531 4.316 20 0 GIADMO C[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1F ZINC000461446569 823639509 /nfs/dbraw/zinc/63/95/09/823639509.db2.gz HHZHLFHPJMASPE-HLAWJBBLSA-N 1 1 380.507 4.300 20 0 GIADMO O=C(c1ccc(-n2cccc2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448391 823639835 /nfs/dbraw/zinc/63/98/35/823639835.db2.gz UXFDPJVOFCOEDR-GOTSBHOMSA-N 1 1 385.511 4.071 20 0 GIADMO CSc1c(F)cccc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461449902 823639972 /nfs/dbraw/zinc/63/99/72/823639972.db2.gz PEXRSSSSAOTJOL-ROUUACIJSA-N 1 1 384.520 4.142 20 0 GIADMO O=C(c1ccccc1OCC1CC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448944 823640007 /nfs/dbraw/zinc/64/00/07/823640007.db2.gz WURJRKZYKFHLJL-YADHBBJMSA-N 1 1 390.527 4.070 20 0 GIADMO Cc1ccc2cc(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2n1 ZINC000461449950 823640026 /nfs/dbraw/zinc/64/00/26/823640026.db2.gz PLMQKAHYFCQHJU-GOTSBHOMSA-N 1 1 385.511 4.137 20 0 GIADMO O=C(c1ccccc1OCC1CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448941 823640028 /nfs/dbraw/zinc/64/00/28/823640028.db2.gz WURJRKZYKFHLJL-FCHUYYIVSA-N 1 1 390.527 4.070 20 0 GIADMO O=C(c1sccc1-n1cccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461455075 823641076 /nfs/dbraw/zinc/64/10/76/823641076.db2.gz KDDYGVAXRXCPJF-UXHICEINSA-N 1 1 391.540 4.133 20 0 GIADMO Cc1nc(CC(C)C)sc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461454905 823641129 /nfs/dbraw/zinc/64/11/29/823641129.db2.gz ISTRENGXPZRJME-UXHICEINSA-N 1 1 397.588 4.244 20 0 GIADMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(Cc3ccccc3)c2)C1 ZINC000412264998 823641462 /nfs/dbraw/zinc/64/14/62/823641462.db2.gz BWVVUEVFVMLCRP-DEOSSOPVSA-N 1 1 399.538 4.267 20 0 GIADMO Cc1[nH]c2c(cccc2C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000461457678 823641751 /nfs/dbraw/zinc/64/17/51/823641751.db2.gz QRSSOIXJCCTOHD-LEWJYISDSA-N 1 1 387.527 4.379 20 0 GIADMO O=C(c1csc2ccccc12)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461458044 823641924 /nfs/dbraw/zinc/64/19/24/823641924.db2.gz XBFBIBNBYSRSOF-RTBURBONSA-N 1 1 376.525 4.495 20 0 GIADMO O=c1nc(C[N@H+](Cc2ccoc2)C2CCCCC2)[nH]c2sc3c(c21)CCC3 ZINC000124984215 823642612 /nfs/dbraw/zinc/64/26/12/823642612.db2.gz XAPJYBBMRRVJHQ-UHFFFAOYSA-N 1 1 383.517 4.401 20 0 GIADMO O=c1nc(C[N@@H+](Cc2ccoc2)C2CCCCC2)[nH]c2sc3c(c21)CCC3 ZINC000124984215 823642614 /nfs/dbraw/zinc/64/26/14/823642614.db2.gz XAPJYBBMRRVJHQ-UHFFFAOYSA-N 1 1 383.517 4.401 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1c[nH]nc1-c1ccsc1 ZINC000461465916 823642975 /nfs/dbraw/zinc/64/29/75/823642975.db2.gz HORCWGLWZXWVIZ-GOSISDBHSA-N 1 1 394.544 4.170 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC(=O)c2ccccc21 ZINC000461468419 823643307 /nfs/dbraw/zinc/64/33/07/823643307.db2.gz JROYMYMTAXZQBZ-NZQKXSOJSA-N 1 1 390.527 4.165 20 0 GIADMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3cn(C(C)(C)C)nn3)s2)cc1 ZINC000191055552 823643278 /nfs/dbraw/zinc/64/32/78/823643278.db2.gz FGQHTYGYZLCCIO-CYBMUJFWSA-N 1 1 385.537 4.324 20 0 GIADMO CCC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000461470805 823643722 /nfs/dbraw/zinc/64/37/22/823643722.db2.gz ZIUOJGBDZZHWEO-FGZHOGPDSA-N 1 1 379.548 4.384 20 0 GIADMO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000191063466 823644065 /nfs/dbraw/zinc/64/40/65/823644065.db2.gz DEJJOFIXCSFQCH-CQSZACIVSA-N 1 1 394.401 4.059 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(OC)c(Cl)c2)CC1 ZINC000125035641 823647044 /nfs/dbraw/zinc/64/70/44/823647044.db2.gz ICFGOLLZINKLOY-UHFFFAOYSA-N 1 1 381.948 4.002 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000191092558 823647761 /nfs/dbraw/zinc/64/77/61/823647761.db2.gz BOBINIRQFDJVOJ-VQIMIIECSA-N 1 1 396.362 4.495 20 0 GIADMO O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000125053533 823648417 /nfs/dbraw/zinc/64/84/17/823648417.db2.gz GNZGQJWWCKHMDK-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000125053533 823648420 /nfs/dbraw/zinc/64/84/20/823648420.db2.gz GNZGQJWWCKHMDK-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)s1 ZINC000191096569 823648737 /nfs/dbraw/zinc/64/87/37/823648737.db2.gz UIOOOYJKQJLVEE-ZDUSSCGKSA-N 1 1 384.332 4.389 20 0 GIADMO Cc1ccc(OC[C@@H](C)NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000063071026 823650112 /nfs/dbraw/zinc/65/01/12/823650112.db2.gz CYFMWVYJWURZHX-LJQANCHMSA-N 1 1 383.536 4.102 20 0 GIADMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(Br)cc3)C1)CCC2 ZINC000063125715 823652169 /nfs/dbraw/zinc/65/21/69/823652169.db2.gz XZUKUYNCVBVIOC-HXUWFJFHSA-N 1 1 388.305 4.217 20 0 GIADMO C[C@H]1C[C@@H](C(=O)Nc2ccc3c(Cl)ccc(Br)c3n2)CC[N@H+]1C ZINC000412393958 823652594 /nfs/dbraw/zinc/65/25/94/823652594.db2.gz PTJRZDKJWKOTKV-QWRGUYRKSA-N 1 1 396.716 4.320 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)(C)C ZINC000191146743 823653606 /nfs/dbraw/zinc/65/36/06/823653606.db2.gz HBAPRTKXIGCIDW-OTWHNJEPSA-N 1 1 398.595 4.407 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nnc(-c2ccccc2)o1 ZINC000191163462 823655289 /nfs/dbraw/zinc/65/52/89/823655289.db2.gz IKGDROFSGYVDMM-USXIJHARSA-N 1 1 386.496 4.223 20 0 GIADMO Cc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000125190846 823658033 /nfs/dbraw/zinc/65/80/33/823658033.db2.gz MEDKVWRTWUPHJJ-LJQANCHMSA-N 1 1 399.922 4.067 20 0 GIADMO C[N@H+]1CC[C@@H](CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)C1 ZINC000191194146 823658294 /nfs/dbraw/zinc/65/82/94/823658294.db2.gz SIAURWFVRMQOMC-CQSZACIVSA-N 1 1 388.924 4.284 20 0 GIADMO CCc1noc(CC)c1CC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000125214582 823659684 /nfs/dbraw/zinc/65/96/84/823659684.db2.gz ZXWBKPMDKOBWHX-PKOBYXMFSA-N 1 1 383.536 4.026 20 0 GIADMO CC(C)[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(Cl)c1 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AWANJCBPONIVNW-SFHVURJKSA-N 1 1 375.472 4.053 20 0 GIADMO Cc1nc(C)c(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)s1 ZINC000461581385 823664314 /nfs/dbraw/zinc/66/43/14/823664314.db2.gz RNCHOYPVIQMXMT-UHFFFAOYSA-N 1 1 383.561 4.421 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3c(O)ccc(Cl)c3F)ccc2NC1=O ZINC000191258853 823664406 /nfs/dbraw/zinc/66/44/06/823664406.db2.gz WCWMJKTWDAWFCH-QLJPJBMISA-N 1 1 378.831 4.145 20 0 GIADMO Cc1noc(C)c1[C@H](C)C(=O)OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000125281740 823664681 /nfs/dbraw/zinc/66/46/81/823664681.db2.gz HSEMDRZWWCZXFC-XJKSGUPXSA-N 1 1 392.446 4.129 20 0 GIADMO CCCn1cc[nH+]c1CCCN(C)Cn1nc(-c2ccccc2)n(CC)c1=S ZINC000191277910 823666586 /nfs/dbraw/zinc/66/65/86/823666586.db2.gz QZRXCJOFSFCREQ-UHFFFAOYSA-N 1 1 398.580 4.230 20 0 GIADMO CCN(C)c1ccc(C[NH2+]C(c2cccc(OC)c2)c2cccc(OC)c2)cn1 ZINC000191278615 823666614 /nfs/dbraw/zinc/66/66/14/823666614.db2.gz LJOBTGUYHNLACN-UHFFFAOYSA-N 1 1 391.515 4.434 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)c1 ZINC000125312733 823666995 /nfs/dbraw/zinc/66/69/95/823666995.db2.gz QCQZDGQENVAROY-SFHVURJKSA-N 1 1 382.508 4.088 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1Oc1ccccc1)c1ccco1 ZINC000063404382 823668622 /nfs/dbraw/zinc/66/86/22/823668622.db2.gz QFSWYKUZTCXAIR-LJQANCHMSA-N 1 1 379.460 4.174 20 0 GIADMO CC[C@@H](CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)CC(F)(F)F ZINC000412636269 823669061 /nfs/dbraw/zinc/66/90/61/823669061.db2.gz LZQBXFSJPQENNL-OWCLPIDISA-N 1 1 386.458 4.004 20 0 GIADMO CC[C@@H](CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)CC(F)(F)F ZINC000412636269 823669062 /nfs/dbraw/zinc/66/90/62/823669062.db2.gz LZQBXFSJPQENNL-OWCLPIDISA-N 1 1 386.458 4.004 20 0 GIADMO FC(F)(F)c1nnc(N2CCC[N@H+]([C@@H]3CCCc4ccccc43)CC2)s1 ZINC000191306727 823669691 /nfs/dbraw/zinc/66/96/91/823669691.db2.gz ADEDNJXJEOEZDM-OAHLLOKOSA-N 1 1 382.455 4.147 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3nc(N(C)C)oc3c2)C1 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C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CNc2ccccc2Cl)cc1 ZINC000063645472 823686418 /nfs/dbraw/zinc/68/64/18/823686418.db2.gz YFFLVKMEHAYSPK-QGZVFWFLSA-N 1 1 385.939 4.443 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](COC)c2cccc(Cl)c2)CC1 ZINC000461729962 823688584 /nfs/dbraw/zinc/68/85/84/823688584.db2.gz JNSQSSARMZEYGX-HXUWFJFHSA-N 1 1 395.975 4.181 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000191479271 823689328 /nfs/dbraw/zinc/68/93/28/823689328.db2.gz CMBIQXCSPAOGAA-INIZCTEOSA-N 1 1 376.932 4.147 20 0 GIADMO Clc1ccc(CN2CCC([NH2+][C@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000125615640 823690229 /nfs/dbraw/zinc/69/02/29/823690229.db2.gz ZJLQYOGUQCYKGZ-NRFANRHFSA-N 1 1 380.923 4.407 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000412903262 823691225 /nfs/dbraw/zinc/69/12/25/823691225.db2.gz DZIHKTQJLLHWJV-HOTGVXAUSA-N 1 1 386.467 4.086 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000063723012 823691463 /nfs/dbraw/zinc/69/14/63/823691463.db2.gz QJWDEFIDHXUHOB-UHFFFAOYSA-N 1 1 394.563 4.223 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000063722788 823691545 /nfs/dbraw/zinc/69/15/45/823691545.db2.gz MOYIVJODFXOGDW-UHFFFAOYSA-N 1 1 385.552 4.152 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000063723473 823691746 /nfs/dbraw/zinc/69/17/46/823691746.db2.gz SSBMEOCVABUFDO-UHFFFAOYSA-N 1 1 393.369 4.204 20 0 GIADMO CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[N@H+](C(C)(C)C)CC3)n2)cc1 ZINC000063723942 823691778 /nfs/dbraw/zinc/69/17/78/823691778.db2.gz MUBTYOZLHUIXNU-UHFFFAOYSA-N 1 1 398.551 4.125 20 0 GIADMO Cc1ccc(CC[N@@H+](CC(=O)N(C)Cc2cccs2)Cc2ccco2)cc1 ZINC000461754374 823692219 /nfs/dbraw/zinc/69/22/19/823692219.db2.gz IHBJFEVABKJVFZ-UHFFFAOYSA-N 1 1 382.529 4.353 20 0 GIADMO Cc1ccc(CC[N@H+](CC(=O)N(C)Cc2cccs2)Cc2ccco2)cc1 ZINC000461754374 823692221 /nfs/dbraw/zinc/69/22/21/823692221.db2.gz IHBJFEVABKJVFZ-UHFFFAOYSA-N 1 1 382.529 4.353 20 0 GIADMO C[C@H](CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000063749413 823693265 /nfs/dbraw/zinc/69/32/65/823693265.db2.gz JOBKWPSTEIUNLF-CHWSQXEVSA-N 1 1 397.997 4.304 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000125650169 823693311 /nfs/dbraw/zinc/69/33/11/823693311.db2.gz DCQMQSGSQDHQNK-INIZCTEOSA-N 1 1 389.569 4.483 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1OCc1cscn1 ZINC000063758113 823693789 /nfs/dbraw/zinc/69/37/89/823693789.db2.gz BPJIVGOPPOVMKX-KRWDZBQOSA-N 1 1 387.549 4.107 20 0 GIADMO Cc1cccn2c(=O)cc(C[N@@H+]3CC=C(c4cccc5ccccc54)CC3)nc12 ZINC000063762831 823694020 /nfs/dbraw/zinc/69/40/20/823694020.db2.gz DKPISQNBWWIWQF-UHFFFAOYSA-N 1 1 381.479 4.445 20 0 GIADMO C[C@H](C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)C(C)(C)C ZINC000412972000 823695817 /nfs/dbraw/zinc/69/58/17/823695817.db2.gz NNZRMWWLMDQTQN-CQSZACIVSA-N 1 1 381.358 4.212 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000461791134 823695859 /nfs/dbraw/zinc/69/58/59/823695859.db2.gz MELBBDIICUUMLG-INIZCTEOSA-N 1 1 393.959 4.065 20 0 GIADMO C[NH+](C)[C@H](C(=O)NCc1cccc(Cn2cnc3ccccc32)c1)c1ccccc1 ZINC000063812161 823699048 /nfs/dbraw/zinc/69/90/48/823699048.db2.gz ZNQJQFYWOPSJEP-DEOSSOPVSA-N 1 1 398.510 4.004 20 0 GIADMO COc1cccc(Cc2nnc(S[C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c1 ZINC000412996891 823699248 /nfs/dbraw/zinc/69/92/48/823699248.db2.gz UUCQTXXIGUCSJN-IBGZPJMESA-N 1 1 381.501 4.036 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000125726479 823700775 /nfs/dbraw/zinc/70/07/75/823700775.db2.gz CTBDVUQUDDBGKA-HXUWFJFHSA-N 1 1 380.532 4.354 20 0 GIADMO CC[N@H+](C)[C@@H](c1nc(-c2ccc(Oc3ncccn3)cc2)no1)c1ccccc1 ZINC000574315588 823701289 /nfs/dbraw/zinc/70/12/89/823701289.db2.gz TYXOOFYOYLTAER-LJQANCHMSA-N 1 1 387.443 4.360 20 0 GIADMO CC[N@@H+](C)[C@@H](c1nc(-c2ccc(Oc3ncccn3)cc2)no1)c1ccccc1 ZINC000574315588 823701294 /nfs/dbraw/zinc/70/12/94/823701294.db2.gz TYXOOFYOYLTAER-LJQANCHMSA-N 1 1 387.443 4.360 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(F)cc3Cl)CC2)n1 ZINC000191570935 823702066 /nfs/dbraw/zinc/70/20/66/823702066.db2.gz HSZMEVSDLMJZTH-UHFFFAOYSA-N 1 1 382.888 4.492 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000063852622 823702381 /nfs/dbraw/zinc/70/23/81/823702381.db2.gz CTUCRWXIOVCMED-HXUWFJFHSA-N 1 1 375.516 4.151 20 0 GIADMO C[N@@H+](Cc1ccccc1Oc1ccc(F)cc1Cl)C1CCN(CCO)CC1 ZINC000461821938 823702828 /nfs/dbraw/zinc/70/28/28/823702828.db2.gz ZHSWHOIPUFHCIP-UHFFFAOYSA-N 1 1 392.902 4.160 20 0 GIADMO CN(Cc1ccccc1Oc1ccc(F)cc1Cl)C1CC[NH+](CCO)CC1 ZINC000461821938 823702834 /nfs/dbraw/zinc/70/28/34/823702834.db2.gz ZHSWHOIPUFHCIP-UHFFFAOYSA-N 1 1 392.902 4.160 20 0 GIADMO CCN(c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1)C(C)C ZINC000063861655 823703600 /nfs/dbraw/zinc/70/36/00/823703600.db2.gz KYPZENNSTKAGMP-UHFFFAOYSA-N 1 1 397.538 4.409 20 0 GIADMO CCN(c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1)C(C)C ZINC000063861655 823703602 /nfs/dbraw/zinc/70/36/02/823703602.db2.gz KYPZENNSTKAGMP-UHFFFAOYSA-N 1 1 397.538 4.409 20 0 GIADMO COc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1OCc1cccnc1 ZINC000125750311 823703903 /nfs/dbraw/zinc/70/39/03/823703903.db2.gz YTWZSPOARAGNIL-UHFFFAOYSA-N 1 1 383.879 4.350 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1OCc1cccnc1 ZINC000125750311 823703907 /nfs/dbraw/zinc/70/39/07/823703907.db2.gz YTWZSPOARAGNIL-UHFFFAOYSA-N 1 1 383.879 4.350 20 0 GIADMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125752985 823704460 /nfs/dbraw/zinc/70/44/60/823704460.db2.gz OWOSNWVYMURDRI-UHFFFAOYSA-N 1 1 380.532 4.472 20 0 GIADMO CSc1cccc(NC(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000125777762 823708337 /nfs/dbraw/zinc/70/83/37/823708337.db2.gz GIFGWFDASUQIKA-UHFFFAOYSA-N 1 1 384.545 4.071 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413117098 823709799 /nfs/dbraw/zinc/70/97/99/823709799.db2.gz XDDRHNAGBYQLJB-IRLDBZIGSA-N 1 1 399.579 4.204 20 0 GIADMO C[N@H+]1CCC[C@H](COC(=O)CC[C@@H]2CCOC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000125788874 823711215 /nfs/dbraw/zinc/71/12/15/823711215.db2.gz XEKMOYJLRZXWJL-MDYRTPRTSA-N 1 1 399.453 4.448 20 0 GIADMO O=C(C[NH+]1CCC(c2ccncc2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000191619490 823715588 /nfs/dbraw/zinc/71/55/88/823715588.db2.gz FHDPNFCDTGOEQN-UHFFFAOYSA-N 1 1 389.499 4.083 20 0 GIADMO CS[C@@H](C)CC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000125806372 823715758 /nfs/dbraw/zinc/71/57/58/823715758.db2.gz UQWFMUBUUZIXSD-DOTOQJQBSA-N 1 1 388.499 4.041 20 0 GIADMO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000574387121 823716293 /nfs/dbraw/zinc/71/62/93/823716293.db2.gz RFYXIXLOOJJKRS-MNOVXSKESA-N 1 1 398.251 4.190 20 0 GIADMO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(Cl)nc3)CC2)no1 ZINC000191631963 823719569 /nfs/dbraw/zinc/71/95/69/823719569.db2.gz ZUYCONKGWQIWQE-UHFFFAOYSA-N 1 1 384.867 4.173 20 0 GIADMO CCc1c(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cnn1-c1ccccc1C ZINC000191649859 823724159 /nfs/dbraw/zinc/72/41/59/823724159.db2.gz GTVNQFWTRDHHOK-SFHVURJKSA-N 1 1 383.540 4.081 20 0 GIADMO Cc1cc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)cn2cc[nH+]c12 ZINC000574418665 823724769 /nfs/dbraw/zinc/72/47/69/823724769.db2.gz HJQBNZIVIHHOHR-GOSISDBHSA-N 1 1 398.894 4.138 20 0 GIADMO COc1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c(Br)cc1O ZINC000191655114 823725289 /nfs/dbraw/zinc/72/52/89/823725289.db2.gz WFSUNWCZHMLRNH-OAHLLOKOSA-N 1 1 378.266 4.036 20 0 GIADMO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000125840379 823725484 /nfs/dbraw/zinc/72/54/84/823725484.db2.gz ONDRLEYCWWRCHF-INIZCTEOSA-N 1 1 376.928 4.026 20 0 GIADMO Cc1cc(C(=O)C[NH+]2CCC(c3ccncc3)CC2)c(C)n1Cc1ccco1 ZINC000191658485 823725854 /nfs/dbraw/zinc/72/58/54/823725854.db2.gz UISMMFJOINVJID-UHFFFAOYSA-N 1 1 377.488 4.204 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000125842475 823726034 /nfs/dbraw/zinc/72/60/34/823726034.db2.gz YSNHYBCNEQXNBM-AVRDEDQJSA-N 1 1 394.519 4.152 20 0 GIADMO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000191666182 823727465 /nfs/dbraw/zinc/72/74/65/823727465.db2.gz UKCMRSQVECXANT-KRWDZBQOSA-N 1 1 392.849 4.170 20 0 GIADMO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000191666182 823727467 /nfs/dbraw/zinc/72/74/67/823727467.db2.gz UKCMRSQVECXANT-KRWDZBQOSA-N 1 1 392.849 4.170 20 0 GIADMO CC[N@@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)[C@H]1CCOC(C)(C)C1 ZINC000574441555 823730599 /nfs/dbraw/zinc/73/05/99/823730599.db2.gz VVAANZACLFCOLQ-RBUKOAKNSA-N 1 1 380.532 4.435 20 0 GIADMO C[C@@H](CCc1ccco1)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000574447784 823733034 /nfs/dbraw/zinc/73/30/34/823733034.db2.gz SKNKGMBPHQVFBX-PZJWPPBQSA-N 1 1 383.536 4.202 20 0 GIADMO CCCOCc1ccccc1C[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000163662269 823734023 /nfs/dbraw/zinc/73/40/23/823734023.db2.gz UTKLDTDNIGEDCO-MRXNPFEDSA-N 1 1 382.483 4.492 20 0 GIADMO CC(C)([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000191689846 823735017 /nfs/dbraw/zinc/73/50/17/823735017.db2.gz MTATUVVBEHZMDK-UHFFFAOYSA-N 1 1 380.414 4.414 20 0 GIADMO COc1ccc(C(NC(=O)C[N@@H+](C)CC2CCCC2)c2ccc(OC)cc2)cc1 ZINC000064021201 823735057 /nfs/dbraw/zinc/73/50/57/823735057.db2.gz DIAPKJPPNSDUBN-UHFFFAOYSA-N 1 1 396.531 4.031 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc(Cl)c1Br ZINC000191712773 823744368 /nfs/dbraw/zinc/74/43/68/823744368.db2.gz WVPPPYNYEJKMMY-UHFFFAOYSA-N 1 1 385.693 4.161 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNCc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000574486590 823744564 /nfs/dbraw/zinc/74/45/64/823744564.db2.gz KNGZVZQUNJIOIZ-AWEZNQCLSA-N 1 1 394.382 4.393 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccccc1 ZINC000125926573 823745828 /nfs/dbraw/zinc/74/58/28/823745828.db2.gz YGYVYAWBTLCYGA-VXKWHMMOSA-N 1 1 375.447 4.125 20 0 GIADMO Cc1ccc(C(=O)C2CCN(C(=O)Nc3cc(C)c4[nH+]ccn4c3)CC2)c(C)c1 ZINC000574494727 823747823 /nfs/dbraw/zinc/74/78/23/823747823.db2.gz MYOWOVSUHJMQQP-UHFFFAOYSA-N 1 1 390.487 4.386 20 0 GIADMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163785783 823748817 /nfs/dbraw/zinc/74/88/17/823748817.db2.gz YVXPCQLMZHTYRL-QGZVFWFLSA-N 1 1 383.536 4.346 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1cnccc1C(C)(C)C ZINC000413349825 823757123 /nfs/dbraw/zinc/75/71/23/823757123.db2.gz HVAJQDQXENUFPS-GCJKJVERSA-N 1 1 394.563 4.089 20 0 GIADMO C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1c(Cl)ccc(F)c1Cl ZINC000461927048 823759527 /nfs/dbraw/zinc/75/95/27/823759527.db2.gz JFNQWWMIOAWYDJ-SNVBAGLBSA-N 1 1 386.254 4.207 20 0 GIADMO CCCOc1ccccc1Oc1ncccc1CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000163914865 823760300 /nfs/dbraw/zinc/76/03/00/823760300.db2.gz XZIOBNBDRLYAAV-AZUAARDMSA-N 1 1 383.536 4.483 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000461928495 823760325 /nfs/dbraw/zinc/76/03/25/823760325.db2.gz MYJWJJKLTRDGME-CHWSQXEVSA-N 1 1 396.304 4.039 20 0 GIADMO CCCOc1ccccc1Oc1ncccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000163916054 823760386 /nfs/dbraw/zinc/76/03/86/823760386.db2.gz SSHGKEJJEUSLKV-CMKODMSKSA-N 1 1 383.536 4.481 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000125996875 823763054 /nfs/dbraw/zinc/76/30/54/823763054.db2.gz RFPNYIGLBBLJLC-VXKWHMMOSA-N 1 1 393.437 4.264 20 0 GIADMO COc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1NC(C)=O ZINC000163941293 823763211 /nfs/dbraw/zinc/76/32/11/823763211.db2.gz MZKHFHKBYLAWSG-GOSISDBHSA-N 1 1 395.547 4.490 20 0 GIADMO C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000574554104 823764109 /nfs/dbraw/zinc/76/41/09/823764109.db2.gz YFZMGQPIPOWNGD-BVYCBKJFSA-N 1 1 378.004 4.229 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@H](C)C1 ZINC000191791084 823768926 /nfs/dbraw/zinc/76/89/26/823768926.db2.gz KNBHDVIEUFGQQZ-UKRRQHHQSA-N 1 1 399.520 4.145 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C2 ZINC000413405160 823769975 /nfs/dbraw/zinc/76/99/75/823769975.db2.gz IZQUZBJOVZBEIC-RTWAWAEBSA-N 1 1 397.906 4.013 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C2 ZINC000413405160 823769976 /nfs/dbraw/zinc/76/99/76/823769976.db2.gz IZQUZBJOVZBEIC-RTWAWAEBSA-N 1 1 397.906 4.013 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(Sc3ccccc3)cc1)CC2 ZINC000574577347 823770577 /nfs/dbraw/zinc/77/05/77/823770577.db2.gz SPXATWXXIJYCIM-GOSISDBHSA-N 1 1 377.513 4.222 20 0 GIADMO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)c1 ZINC000574581399 823771220 /nfs/dbraw/zinc/77/12/20/823771220.db2.gz JRDUPRQZTFVLRN-DNVCBOLYSA-N 1 1 389.421 4.004 20 0 GIADMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)c1 ZINC000574581399 823771229 /nfs/dbraw/zinc/77/12/29/823771229.db2.gz JRDUPRQZTFVLRN-DNVCBOLYSA-N 1 1 389.421 4.004 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)nc2c1 ZINC000064227028 823775052 /nfs/dbraw/zinc/77/50/52/823775052.db2.gz KFJOGNXFUQBCBQ-FXAWDEMLSA-N 1 1 397.567 4.228 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)[nH]c2c1 ZINC000064227028 823775056 /nfs/dbraw/zinc/77/50/56/823775056.db2.gz KFJOGNXFUQBCBQ-FXAWDEMLSA-N 1 1 397.567 4.228 20 0 GIADMO Cc1ccc2nc([C@H]3CCCN3C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)[nH]c2c1 ZINC000064227028 823775062 /nfs/dbraw/zinc/77/50/62/823775062.db2.gz KFJOGNXFUQBCBQ-FXAWDEMLSA-N 1 1 397.567 4.228 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2CCc2ccccc2)c1 ZINC000064229781 823775916 /nfs/dbraw/zinc/77/59/16/823775916.db2.gz HOJMPQLLUHNXJW-HSZRJFAPSA-N 1 1 379.548 4.445 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(COc3ccccc3)CC2)c1 ZINC000064229275 823776008 /nfs/dbraw/zinc/77/60/08/823776008.db2.gz GLZFJDSUKRXFBC-UHFFFAOYSA-N 1 1 395.547 4.139 20 0 GIADMO CC(C)Oc1ccc([C@@H](C)NCc2ccncc2OCC[NH+](C)C)cc1Cl ZINC000574601856 823777056 /nfs/dbraw/zinc/77/70/56/823777056.db2.gz LXVVYDHHVMJHSK-MRXNPFEDSA-N 1 1 391.943 4.313 20 0 GIADMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000574607006 823778752 /nfs/dbraw/zinc/77/87/52/823778752.db2.gz SJSJYJWEPIBSBC-LJQANCHMSA-N 1 1 383.561 4.124 20 0 GIADMO O=C(CCCc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000574607006 823778761 /nfs/dbraw/zinc/77/87/61/823778761.db2.gz SJSJYJWEPIBSBC-LJQANCHMSA-N 1 1 383.561 4.124 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)C1 ZINC000164142775 823780682 /nfs/dbraw/zinc/78/06/82/823780682.db2.gz ZPRKNLNAXHAWEL-RKDXNWHRSA-N 1 1 397.133 4.252 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC[C@@H]21 ZINC000164146049 823781180 /nfs/dbraw/zinc/78/11/80/823781180.db2.gz CFCHMABKIRQVKV-GCJKJVERSA-N 1 1 397.494 4.353 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000461984989 823782743 /nfs/dbraw/zinc/78/27/43/823782743.db2.gz FNFMJUFFNDPTIB-DEOSSOPVSA-N 1 1 391.559 4.318 20 0 GIADMO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)CC(F)(F)F ZINC000413526034 823792227 /nfs/dbraw/zinc/79/22/27/823792227.db2.gz BAYAQBIVZFZCJQ-DOTOQJQBSA-N 1 1 385.474 4.175 20 0 GIADMO CCO[C@@H](CC)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574661769 823793872 /nfs/dbraw/zinc/79/38/72/823793872.db2.gz SQVKUMCKMQGKDS-XDLUSNJSSA-N 1 1 378.944 4.185 20 0 GIADMO CSCC[C@@H]([NH2+][C@H](C)c1cnc2ccsc2c1)c1nnc2ccccn21 ZINC000164291944 823793841 /nfs/dbraw/zinc/79/38/41/823793841.db2.gz WFADOFIZAJLHIZ-CZUORRHYSA-N 1 1 383.546 4.484 20 0 GIADMO CCO[C@H](CC)C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574661770 823793976 /nfs/dbraw/zinc/79/39/76/823793976.db2.gz SQVKUMCKMQGKDS-YGDSSSOMSA-N 1 1 378.944 4.185 20 0 GIADMO CSCC[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)c1nnc2ccccn21 ZINC000164298563 823794224 /nfs/dbraw/zinc/79/42/24/823794224.db2.gz MEZZLSWBSXMFKN-XJKSGUPXSA-N 1 1 392.475 4.476 20 0 GIADMO CC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064349052 823797918 /nfs/dbraw/zinc/79/79/18/823797918.db2.gz IFRZNQFUSRIKPX-OAHLLOKOSA-N 1 1 395.459 4.173 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@@H]2CCc3cc(Br)ccc32)c(OC)c1 ZINC000164397314 823800670 /nfs/dbraw/zinc/80/06/70/823800670.db2.gz KPGRYPOSUNPKOI-QGZVFWFLSA-N 1 1 392.293 4.252 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000126155794 823801495 /nfs/dbraw/zinc/80/14/95/823801495.db2.gz RZYYNPAJDOEYBU-GOSISDBHSA-N 1 1 389.421 4.074 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000126155794 823801504 /nfs/dbraw/zinc/80/15/04/823801504.db2.gz RZYYNPAJDOEYBU-GOSISDBHSA-N 1 1 389.421 4.074 20 0 GIADMO CCCCN1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000164497196 823805273 /nfs/dbraw/zinc/80/52/73/823805273.db2.gz PMGNMKXHWCBFRO-UHFFFAOYSA-N 1 1 381.967 4.298 20 0 GIADMO Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000191891372 823805428 /nfs/dbraw/zinc/80/54/28/823805428.db2.gz KLRHDKUYOLPSBE-IRFCIJBXSA-N 1 1 385.552 4.115 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000164509016 823806062 /nfs/dbraw/zinc/80/60/62/823806062.db2.gz HBGBSTOIJAEFRW-UHFFFAOYSA-N 1 1 390.531 4.065 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1CN(C)Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000164523479 823806726 /nfs/dbraw/zinc/80/67/26/823806726.db2.gz ZNHRFQMYWMLAAQ-KRWDZBQOSA-N 1 1 378.472 4.491 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)CC(F)F)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000413639257 823807870 /nfs/dbraw/zinc/80/78/70/823807870.db2.gz JLSNZIFYZCLMPI-KRWDZBQOSA-N 1 1 390.478 4.258 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](Oc2ccc(Cl)cc2)C(C)C)C1 ZINC000462047825 823811126 /nfs/dbraw/zinc/81/11/26/823811126.db2.gz JHYLWAMGTCWRAF-YLJYHZDGSA-N 1 1 389.927 4.366 20 0 GIADMO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)c(OC)c1OC ZINC000164604421 823811737 /nfs/dbraw/zinc/81/17/37/823811737.db2.gz SEMZCXBTJILINC-LLVKDONJSA-N 1 1 385.382 4.304 20 0 GIADMO COc1cccc(C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@@H]2CCCO2)c1 ZINC000064400343 823812265 /nfs/dbraw/zinc/81/22/65/823812265.db2.gz PEARVDAWXOJPKB-QHCPKHFHSA-N 1 1 377.488 4.062 20 0 GIADMO CN(C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000462050837 823812640 /nfs/dbraw/zinc/81/26/40/823812640.db2.gz BVMLIJAMVNZKCE-RDTXWAMCSA-N 1 1 382.335 4.323 20 0 GIADMO Fc1cc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1Cl ZINC000191933529 823815350 /nfs/dbraw/zinc/81/53/50/823815350.db2.gz BSKIZDAVCPOUIQ-HNNXBMFYSA-N 1 1 392.906 4.055 20 0 GIADMO O=C(NCc1ccnc(Oc2ccccc2F)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000574742941 823816294 /nfs/dbraw/zinc/81/62/94/823816294.db2.gz AOJQKXVGNNGLMG-LJQANCHMSA-N 1 1 383.467 4.036 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1OC1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000164809206 823820614 /nfs/dbraw/zinc/82/06/14/823820614.db2.gz PBOOBWPCJRKDHX-OAHLLOKOSA-N 1 1 391.508 4.401 20 0 GIADMO C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)CC(F)(F)F ZINC000413739237 823829099 /nfs/dbraw/zinc/82/90/99/823829099.db2.gz BEWMYKWWHLBQBX-CVEARBPZSA-N 1 1 377.495 4.261 20 0 GIADMO O=C(NCc1ccc(Cl)cc1Cl)N1CC[NH+](CCc2cccs2)CC1 ZINC000165096327 823833936 /nfs/dbraw/zinc/83/39/36/823833936.db2.gz GDWYAEGMTYCNIN-UHFFFAOYSA-N 1 1 398.359 4.125 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1nc(Cl)ccc1Cl ZINC000064521916 823835248 /nfs/dbraw/zinc/83/52/48/823835248.db2.gz DIOJNIABJDRWTG-LBPRGKRZSA-N 1 1 384.332 4.092 20 0 GIADMO O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064522097 823835875 /nfs/dbraw/zinc/83/58/75/823835875.db2.gz QKVIDIFPVKJLJL-KRWDZBQOSA-N 1 1 381.545 4.190 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000574836731 823838152 /nfs/dbraw/zinc/83/81/52/823838152.db2.gz YIXBYUCVYWQIQB-AUSIDOKSSA-N 1 1 377.532 4.150 20 0 GIADMO C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(Br)c1 ZINC000462136492 823840921 /nfs/dbraw/zinc/84/09/21/823840921.db2.gz CNDGFSYVVQLQCA-UMVBOHGHSA-N 1 1 385.321 4.023 20 0 GIADMO CC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000126332606 823842384 /nfs/dbraw/zinc/84/23/84/823842384.db2.gz KSDBIOHWVIHANR-XVLXNVKGSA-N 1 1 384.549 4.089 20 0 GIADMO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300150 823842635 /nfs/dbraw/zinc/84/26/35/823842635.db2.gz MDVZKDLRZFORBL-QUCCMNQESA-N 1 1 391.559 4.132 20 0 GIADMO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300150 823842641 /nfs/dbraw/zinc/84/26/41/823842641.db2.gz MDVZKDLRZFORBL-QUCCMNQESA-N 1 1 391.559 4.132 20 0 GIADMO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(Cc2ccccc2)c1 ZINC000165330578 823843670 /nfs/dbraw/zinc/84/36/70/823843670.db2.gz ZEZXGAGIVZCJPD-URXFXBBRSA-N 1 1 388.559 4.147 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000126360457 823848162 /nfs/dbraw/zinc/84/81/62/823848162.db2.gz XZFGQPSFOXWASZ-KSSFIOAISA-N 1 1 399.457 4.322 20 0 GIADMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3c[nH]nc3-c3ccsc3)sc2C1 ZINC000574871031 823848882 /nfs/dbraw/zinc/84/88/82/823848882.db2.gz MPLAUMGBIVQFCJ-UHFFFAOYSA-N 1 1 387.534 4.004 20 0 GIADMO CC(C)OC1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000126361733 823849046 /nfs/dbraw/zinc/84/90/46/823849046.db2.gz LYGVDVKDNNARRS-LBDAMEBMSA-N 1 1 399.579 4.217 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000462168398 823851643 /nfs/dbraw/zinc/85/16/43/823851643.db2.gz XYVCSHPERQBLNK-MBSDFSHPSA-N 1 1 387.483 4.124 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(Cl)cc1Br ZINC000126377062 823852260 /nfs/dbraw/zinc/85/22/60/823852260.db2.gz WIOIKAOGOSQBEY-UHFFFAOYSA-N 1 1 391.656 4.244 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1cccnc1Cl ZINC000165531576 823852467 /nfs/dbraw/zinc/85/24/67/823852467.db2.gz PMGQNVKPJZZFKO-MRXNPFEDSA-N 1 1 383.879 4.439 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000574890814 823853252 /nfs/dbraw/zinc/85/32/52/823853252.db2.gz WOQHXJQBCFXKBM-NQIIRXRSSA-N 1 1 382.552 4.195 20 0 GIADMO CCN1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000165555221 823853711 /nfs/dbraw/zinc/85/37/11/823853711.db2.gz YTFPJJJMTYEKBN-CJFMBICVSA-N 1 1 388.559 4.418 20 0 GIADMO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1nc(-c2cccnc2)no1 ZINC000192082667 823854585 /nfs/dbraw/zinc/85/45/85/823854585.db2.gz GJPJGWJJERXNPX-MZPVMMEZSA-N 1 1 388.830 4.105 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCc1cccc(Br)c1Cl ZINC000413878392 823856149 /nfs/dbraw/zinc/85/61/49/823856149.db2.gz GHMKXYAKMSAMSY-UHFFFAOYSA-N 1 1 384.705 4.129 20 0 GIADMO C[C@@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1ccc(Oc2cccnc2)cc1 ZINC000574902422 823857417 /nfs/dbraw/zinc/85/74/17/823857417.db2.gz UQDVOHPQGJPRHU-QZTJIDSGSA-N 1 1 394.519 4.061 20 0 GIADMO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000126402314 823858161 /nfs/dbraw/zinc/85/81/61/823858161.db2.gz ZOVPBMMAJAQJMG-OPAMFIHVSA-N 1 1 381.495 4.096 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000064657202 823858948 /nfs/dbraw/zinc/85/89/48/823858948.db2.gz OVIYEMBYMSGIEF-JLSDUUJJSA-N 1 1 393.369 4.179 20 0 GIADMO COc1ccc(C[NH+]2CCC(CN[C@@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000126412701 823860575 /nfs/dbraw/zinc/86/05/75/823860575.db2.gz SAFCHCWKESSRDQ-HSZRJFAPSA-N 1 1 390.531 4.010 20 0 GIADMO Fc1ccccc1-c1noc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192106437 823862313 /nfs/dbraw/zinc/86/23/13/823862313.db2.gz PZYUDGSYKPKUPS-SJLPKXTDSA-N 1 1 391.805 4.288 20 0 GIADMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)cc1 ZINC000126422687 823862885 /nfs/dbraw/zinc/86/28/85/823862885.db2.gz LRUFLXFRSSNLKU-FQEVSTJZSA-N 1 1 391.471 4.007 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)co2)cc1 ZINC000192113348 823864690 /nfs/dbraw/zinc/86/46/90/823864690.db2.gz GYXJTWXVBVZAJZ-PMACEKPBSA-N 1 1 386.398 4.248 20 0 GIADMO Clc1cccc(-c2noc(CC[N@@H+]3CCO[C@H](c4ccsc4)C3)n2)c1 ZINC000126437497 823866909 /nfs/dbraw/zinc/86/69/09/823866909.db2.gz ALDWKBZDKJESSW-INIZCTEOSA-N 1 1 375.881 4.068 20 0 GIADMO Clc1cccc(-c2noc(CC[N@H+]3CCO[C@H](c4ccsc4)C3)n2)c1 ZINC000126437497 823866911 /nfs/dbraw/zinc/86/69/11/823866911.db2.gz ALDWKBZDKJESSW-INIZCTEOSA-N 1 1 375.881 4.068 20 0 GIADMO CC[C@@H](C(=O)Nc1cc(OC)cc(OC)c1Cl)[N@@H+](C)Cc1ccccc1 ZINC000413927760 823867915 /nfs/dbraw/zinc/86/79/15/823867915.db2.gz CNFZAJVNWFHGAF-KRWDZBQOSA-N 1 1 376.884 4.206 20 0 GIADMO CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1Cl)[N@@H+](C)Cc1ccccc1 ZINC000413927761 823868052 /nfs/dbraw/zinc/86/80/52/823868052.db2.gz CNFZAJVNWFHGAF-QGZVFWFLSA-N 1 1 376.884 4.206 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462202273 823868435 /nfs/dbraw/zinc/86/84/35/823868435.db2.gz GLPIVFYYAITAGN-WFASDCNBSA-N 1 1 397.466 4.253 20 0 GIADMO CC(=O)N(c1nc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cs1)c1ccccc1 ZINC000166113342 823870028 /nfs/dbraw/zinc/87/00/28/823870028.db2.gz SBWHUTISFSQMQI-IBGZPJMESA-N 1 1 386.565 4.134 20 0 GIADMO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)cc1F ZINC000192131047 823870951 /nfs/dbraw/zinc/87/09/51/823870951.db2.gz FVTUESIRXIOKIG-SJLPKXTDSA-N 1 1 391.805 4.288 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000462209050 823872257 /nfs/dbraw/zinc/87/22/57/823872257.db2.gz NPJRNBXUVYKDAN-BMFZPTHFSA-N 1 1 397.332 4.167 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000064725611 823872524 /nfs/dbraw/zinc/87/25/24/823872524.db2.gz TXLBLMRMUIJOSY-QKLQHJQFSA-N 1 1 383.561 4.216 20 0 GIADMO CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462211058 823873662 /nfs/dbraw/zinc/87/36/62/823873662.db2.gz HMKRPSXZRVBGLU-LJQANCHMSA-N 1 1 385.508 4.186 20 0 GIADMO CCc1c(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cnn1-c1ccc(F)cc1 ZINC000064735596 823875244 /nfs/dbraw/zinc/87/52/44/823875244.db2.gz DEPIIAGDTGIOKJ-QKLQHJQFSA-N 1 1 398.526 4.051 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1 ZINC000064735938 823875727 /nfs/dbraw/zinc/87/57/27/823875727.db2.gz OUKPISKLFZNPOZ-SOLBZPMBSA-N 1 1 393.369 4.246 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccnc2SC(F)(F)F)C1 ZINC000064736118 823875841 /nfs/dbraw/zinc/87/58/41/823875841.db2.gz CJIALVRNBNRUIO-MJBXVCDLSA-N 1 1 387.471 4.171 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000064737002 823876442 /nfs/dbraw/zinc/87/64/42/823876442.db2.gz YNMHGVWAXATZJB-HNNXBMFYSA-N 1 1 395.890 4.142 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)COc1ccccc1C(C)C ZINC000126480152 823879450 /nfs/dbraw/zinc/87/94/50/823879450.db2.gz ZUGCPBYSPXJFJV-HXUWFJFHSA-N 1 1 398.547 4.127 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)COc1ccccc1C(C)C ZINC000126480152 823879456 /nfs/dbraw/zinc/87/94/56/823879456.db2.gz ZUGCPBYSPXJFJV-HXUWFJFHSA-N 1 1 398.547 4.127 20 0 GIADMO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000575000122 823884029 /nfs/dbraw/zinc/88/40/29/823884029.db2.gz VKXMKJYDCQDQNL-NRFANRHFSA-N 1 1 385.511 4.306 20 0 GIADMO O=C(c1cccnc1Nc1ccccc1F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126509974 823887622 /nfs/dbraw/zinc/88/76/22/823887622.db2.gz YITOYNQPDBGSCM-IIBYNOLFSA-N 1 1 394.494 4.053 20 0 GIADMO CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCn1cc[nH+]c1C(C)C ZINC000414030615 823892928 /nfs/dbraw/zinc/89/29/28/823892928.db2.gz ZURCKBTVGVNDDK-SFHVURJKSA-N 1 1 398.551 4.279 20 0 GIADMO CCN(C(=O)c1ccc(C)c(NC(C)=O)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000126545891 823895397 /nfs/dbraw/zinc/89/53/97/823895397.db2.gz BZYAPFJNUWBEMN-AVRDEDQJSA-N 1 1 393.531 4.251 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167813945 823895833 /nfs/dbraw/zinc/89/58/33/823895833.db2.gz QXVZNQFPSPUAQV-KBPBESRZSA-N 1 1 378.438 4.477 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)cc21 ZINC000462247969 823896770 /nfs/dbraw/zinc/89/67/70/823896770.db2.gz PXBKVXXRLGJDCQ-LAUBAEHRSA-N 1 1 391.519 4.259 20 0 GIADMO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1csc(-c2ccccc2)n1 ZINC000414064000 823899336 /nfs/dbraw/zinc/89/93/36/823899336.db2.gz FFCWPQPKVJISSX-GOSISDBHSA-N 1 1 393.556 4.493 20 0 GIADMO COCc1cc(Cl)ccc1NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000575049985 823899824 /nfs/dbraw/zinc/89/98/24/823899824.db2.gz WEZLPPLIJQAWDJ-NRFANRHFSA-N 1 1 387.911 4.273 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NCc2ccc(Br)c(Cl)c2)cc1 ZINC000192202652 823900650 /nfs/dbraw/zinc/90/06/50/823900650.db2.gz GNPXYTUFTZPOKG-UHFFFAOYSA-N 1 1 396.716 4.215 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)c1ccn(C)n1 ZINC000414078889 823903576 /nfs/dbraw/zinc/90/35/76/823903576.db2.gz SJJBJPASAQOZKC-HZPDHXFCSA-N 1 1 380.467 4.152 20 0 GIADMO Clc1cccc([C@@H]2CCC[C@@H]([NH2+]C3CCN(C[C@@H]4CCOC4)CC3)C2)c1 ZINC000414079030 823903614 /nfs/dbraw/zinc/90/36/14/823903614.db2.gz BQTPIXSOWRAAPN-LRXVAGHRSA-N 1 1 376.972 4.457 20 0 GIADMO COc1cc(F)c([C@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000168537847 823904022 /nfs/dbraw/zinc/90/40/22/823904022.db2.gz HOIVPYWACISJQX-CVEARBPZSA-N 1 1 390.499 4.195 20 0 GIADMO C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC12CCCCC2 ZINC000462262574 823904295 /nfs/dbraw/zinc/90/42/95/823904295.db2.gz LVZKITTYLUKLDN-HXUWFJFHSA-N 1 1 399.579 4.386 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccn(C)n1 ZINC000414084914 823905471 /nfs/dbraw/zinc/90/54/71/823905471.db2.gz YBYRJQVKLDKRBH-SFHVURJKSA-N 1 1 392.503 4.069 20 0 GIADMO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1csc(-c2ccccc2)n1 ZINC000414086732 823905987 /nfs/dbraw/zinc/90/59/87/823905987.db2.gz ZROVUGCJOZAXMH-MRXNPFEDSA-N 1 1 386.542 4.325 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=S)Nc2ccc(OC(F)F)cc2)C1 ZINC000064894614 823907082 /nfs/dbraw/zinc/90/70/82/823907082.db2.gz MSRYANAYOGMJBF-RHSMWYFYSA-N 1 1 391.487 4.410 20 0 GIADMO C[C@@H](CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)c1ccc(F)cc1F ZINC000126609842 823910425 /nfs/dbraw/zinc/91/04/25/823910425.db2.gz WZBYWILHQOZMRO-HOTGVXAUSA-N 1 1 388.458 4.490 20 0 GIADMO Cc1cccnc1OC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000575097559 823911894 /nfs/dbraw/zinc/91/18/94/823911894.db2.gz BNIIXHZAGPCNOD-PKOBYXMFSA-N 1 1 399.560 4.047 20 0 GIADMO O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126615872 823912023 /nfs/dbraw/zinc/91/20/23/823912023.db2.gz QRYMEDTWKVPKJE-OXQOHEQNSA-N 1 1 394.540 4.068 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]CCOCc2ccc(Cl)cc2Cl)s1 ZINC000414110531 823912333 /nfs/dbraw/zinc/91/23/33/823912333.db2.gz WGCJOMIRYMISSV-SNVBAGLBSA-N 1 1 389.304 4.104 20 0 GIADMO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1csc(-c2ccccc2)n1 ZINC000414123539 823914551 /nfs/dbraw/zinc/91/45/51/823914551.db2.gz ORJWAWWTRPCGIB-LPHOPBHVSA-N 1 1 379.529 4.160 20 0 GIADMO COc1cc(F)c(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1OC ZINC000575129552 823918813 /nfs/dbraw/zinc/91/88/13/823918813.db2.gz TZHXYPIRSTZMQW-UHFFFAOYSA-N 1 1 377.431 4.163 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1)c1csc(-c2ccccc2)n1 ZINC000414160317 823920742 /nfs/dbraw/zinc/92/07/42/823920742.db2.gz ZMVCWBURGIIULL-CVEARBPZSA-N 1 1 377.513 4.392 20 0 GIADMO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000462328377 823926258 /nfs/dbraw/zinc/92/62/58/823926258.db2.gz TVJQMPVASCPAJA-HKUYNNGSSA-N 1 1 392.590 4.035 20 0 GIADMO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC000170648238 823926304 /nfs/dbraw/zinc/92/63/04/823926304.db2.gz IFFIFDFQUANRKN-INIZCTEOSA-N 1 1 387.549 4.465 20 0 GIADMO Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)cs2)cc1 ZINC000170648238 823926310 /nfs/dbraw/zinc/92/63/10/823926310.db2.gz IFFIFDFQUANRKN-INIZCTEOSA-N 1 1 387.549 4.465 20 0 GIADMO COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]Cc3cnc(C)o3)s2)cc1OC ZINC000414198730 823926539 /nfs/dbraw/zinc/92/65/39/823926539.db2.gz WIPFMFSWJBWXOD-LBPRGKRZSA-N 1 1 387.505 4.207 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000126690098 823927699 /nfs/dbraw/zinc/92/76/99/823927699.db2.gz ZHRRGGQQTGOSEM-QUCCMNQESA-N 1 1 394.563 4.326 20 0 GIADMO C[C@H](Cc1ccccc1)n1cccc1-c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000575162921 823928637 /nfs/dbraw/zinc/92/86/37/823928637.db2.gz OXCCFRNKKHWIEB-LLBVYWAGSA-N 1 1 392.503 4.268 20 0 GIADMO CC[C@H](C)[C@H]1CN(CCCc2ccncc2)CC[N@H+]1CCCc1ccncc1 ZINC000462335087 823928984 /nfs/dbraw/zinc/92/89/84/823928984.db2.gz SOHUHOJWBMMKTO-XUZZJYLKSA-N 1 1 380.580 4.074 20 0 GIADMO CC[C@H](C)[C@H]1C[N@H+](CCCc2ccncc2)CCN1CCCc1ccncc1 ZINC000462335087 823928992 /nfs/dbraw/zinc/92/89/92/823928992.db2.gz SOHUHOJWBMMKTO-XUZZJYLKSA-N 1 1 380.580 4.074 20 0 GIADMO CC[C@H](C)[C@H]1C[N@@H+](CCCc2ccncc2)CCN1CCCc1ccncc1 ZINC000462335087 823928997 /nfs/dbraw/zinc/92/89/97/823928997.db2.gz SOHUHOJWBMMKTO-XUZZJYLKSA-N 1 1 380.580 4.074 20 0 GIADMO O=C(C[N@H+](CCCc1ccncc1)Cc1cccnc1)Nc1ccc(Cl)cc1 ZINC000462339597 823930342 /nfs/dbraw/zinc/93/03/42/823930342.db2.gz YXTQMZGTXNVABW-UHFFFAOYSA-N 1 1 394.906 4.204 20 0 GIADMO O=C(C[N@@H+](CCCc1ccncc1)Cc1cccnc1)Nc1ccc(Cl)cc1 ZINC000462339597 823930347 /nfs/dbraw/zinc/93/03/47/823930347.db2.gz YXTQMZGTXNVABW-UHFFFAOYSA-N 1 1 394.906 4.204 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000414212692 823930321 /nfs/dbraw/zinc/93/03/21/823930321.db2.gz RPADWUIEJCKJAG-SFHVURJKSA-N 1 1 397.899 4.276 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cs1)c1c(C)cc(C)cc1C ZINC000575188508 823934417 /nfs/dbraw/zinc/93/44/17/823934417.db2.gz KMRUCPBFENGKJN-CTNGQTDRSA-N 1 1 399.560 4.410 20 0 GIADMO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(C)(=O)=O)c2cccc(Br)c21 ZINC000414231706 823934710 /nfs/dbraw/zinc/93/47/10/823934710.db2.gz HTTZNFFUWMUPGY-MLGOLLRUSA-N 1 1 394.334 4.191 20 0 GIADMO CN1CCO[C@@H]([C@H]([NH2+]Cc2cnccc2C(C)(C)C)c2ccc(Cl)cc2)C1 ZINC000414235296 823935867 /nfs/dbraw/zinc/93/58/67/823935867.db2.gz UEQKIBCBHUQQHQ-NHCUHLMSSA-N 1 1 387.955 4.194 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc2cc(OC)ccc2c1 ZINC000414241049 823937579 /nfs/dbraw/zinc/93/75/79/823937579.db2.gz NZPFGPMKGLSTHY-OAQYLSRUSA-N 1 1 383.513 4.493 20 0 GIADMO CCN(CC)c1ccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000170683791 823937932 /nfs/dbraw/zinc/93/79/32/823937932.db2.gz QCKVVLFJXDJXLT-UHFFFAOYSA-N 1 1 386.565 4.148 20 0 GIADMO C[N@@H+]1CCN(C(=O)Nc2ccccc2CC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000575203243 823938204 /nfs/dbraw/zinc/93/82/04/823938204.db2.gz SHMWLMFAAMKJMC-GOSISDBHSA-N 1 1 377.410 4.312 20 0 GIADMO C[N@H+]1CCN(C(=O)Nc2ccccc2CC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000575203243 823938210 /nfs/dbraw/zinc/93/82/10/823938210.db2.gz SHMWLMFAAMKJMC-GOSISDBHSA-N 1 1 377.410 4.312 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NCCc3ccc(C(C)(C)C)cc3)CC2)cs1 ZINC000170694250 823942178 /nfs/dbraw/zinc/94/21/78/823942178.db2.gz AGLXTRBVFPAYMT-UHFFFAOYSA-N 1 1 399.604 4.320 20 0 GIADMO Cc1ccc(Br)c(CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260864 823944606 /nfs/dbraw/zinc/94/46/06/823944606.db2.gz NDXPDZPRBBTPOQ-OXJNMPFZSA-N 1 1 388.353 4.153 20 0 GIADMO Cc1ccc(Br)c(CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260864 823944608 /nfs/dbraw/zinc/94/46/08/823944608.db2.gz NDXPDZPRBBTPOQ-OXJNMPFZSA-N 1 1 388.353 4.153 20 0 GIADMO CCC[C@H](NC(=O)c1ccccc1)c1noc([C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000575221875 823944929 /nfs/dbraw/zinc/94/49/29/823944929.db2.gz GHPBYCIQQBOURU-KKSFZXQISA-N 1 1 388.487 4.010 20 0 GIADMO CCC[C@H](NC(=O)c1ccccc1)c1noc([C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000575221875 823944931 /nfs/dbraw/zinc/94/49/31/823944931.db2.gz GHPBYCIQQBOURU-KKSFZXQISA-N 1 1 388.487 4.010 20 0 GIADMO O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126765902 823945574 /nfs/dbraw/zinc/94/55/74/823945574.db2.gz HGZCIXWJGSTWCP-GAJHUEQPSA-N 1 1 377.532 4.136 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000126775731 823948357 /nfs/dbraw/zinc/94/83/57/823948357.db2.gz MIJDMTCCJWUJOB-UHFFFAOYSA-N 1 1 391.475 4.144 20 0 GIADMO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CCCC[C@H]2F)c2ccc(F)c(F)c2)c1 ZINC000414276996 823949923 /nfs/dbraw/zinc/94/99/23/823949923.db2.gz AXYHTMZBKPUUTC-MISYRCLQSA-N 1 1 397.462 4.328 20 0 GIADMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192334592 823949939 /nfs/dbraw/zinc/94/99/39/823949939.db2.gz MLSHDNLQCPUZBC-IEBWSBKVSA-N 1 1 381.524 4.086 20 0 GIADMO Clc1cccc([C@H]([NH2+]Cc2nnnn2C2CCOCC2)C2CCCCC2)c1 ZINC000575241344 823950050 /nfs/dbraw/zinc/95/00/50/823950050.db2.gz QMUFOJGOCVBBMB-HXUWFJFHSA-N 1 1 389.931 4.089 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(OCC(F)(F)F)cc2)C1 ZINC000065140458 823950722 /nfs/dbraw/zinc/95/07/22/823950722.db2.gz BZQLABQFNFMGPV-YJBOKZPZSA-N 1 1 392.421 4.193 20 0 GIADMO CCOc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000462379978 823951091 /nfs/dbraw/zinc/95/10/91/823951091.db2.gz JILYFXXMIWSBBZ-INIZCTEOSA-N 1 1 388.533 4.246 20 0 GIADMO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccnc(Cl)c3)CC2)no1 ZINC000192337156 823950956 /nfs/dbraw/zinc/95/09/56/823950956.db2.gz HSSDYCRMOXQYOR-UHFFFAOYSA-N 1 1 384.867 4.173 20 0 GIADMO CCOc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000462379978 823951100 /nfs/dbraw/zinc/95/11/00/823951100.db2.gz JILYFXXMIWSBBZ-INIZCTEOSA-N 1 1 388.533 4.246 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)C1 ZINC000192338160 823951585 /nfs/dbraw/zinc/95/15/85/823951585.db2.gz MPSBWXNOQKZQJW-GOSISDBHSA-N 1 1 383.540 4.095 20 0 GIADMO COc1ccccc1-c1nc(C2CC[NH+](Cc3cccc(Cl)n3)CC2)no1 ZINC000192342838 823953762 /nfs/dbraw/zinc/95/37/62/823953762.db2.gz HGTFDJDYZWZFHR-UHFFFAOYSA-N 1 1 384.867 4.173 20 0 GIADMO C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)c1csnn1 ZINC000414306812 823954631 /nfs/dbraw/zinc/95/46/31/823954631.db2.gz RFMAJEFFNFLESS-IUCAKERBSA-N 1 1 392.834 4.278 20 0 GIADMO COc1cc(-c2nc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cs2)ccc1O ZINC000192348521 823955657 /nfs/dbraw/zinc/95/56/57/823955657.db2.gz CTXWUNNQEMUYRI-QGZVFWFLSA-N 1 1 382.485 4.397 20 0 GIADMO C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C)c1csnn1 ZINC000414311216 823955751 /nfs/dbraw/zinc/95/57/51/823955751.db2.gz XXKLFWITYWQWDD-IUCAKERBSA-N 1 1 392.834 4.278 20 0 GIADMO C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C)c1csnn1 ZINC000414311214 823955872 /nfs/dbraw/zinc/95/58/72/823955872.db2.gz XXKLFWITYWQWDD-BDAKNGLRSA-N 1 1 392.834 4.278 20 0 GIADMO Cc1nn(C[NH2+]C(C)(C)c2ccc(Br)cc2)c(=S)n1C1CC1 ZINC000065188181 823957697 /nfs/dbraw/zinc/95/76/97/823957697.db2.gz ZLWQOJZOFXZKSR-UHFFFAOYSA-N 1 1 381.343 4.302 20 0 GIADMO CC(C)c1nc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc(C(C)(C)C)n1 ZINC000192359462 823959162 /nfs/dbraw/zinc/95/91/62/823959162.db2.gz ORIWSBDPTAAWEL-LJQANCHMSA-N 1 1 381.568 4.251 20 0 GIADMO O=C(NCCCCCOC1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126823663 823959969 /nfs/dbraw/zinc/95/99/69/823959969.db2.gz VTTXBVVWIBHZCB-SIKLNZKXSA-N 1 1 391.600 4.164 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@@H]3CCCc4c(O)cccc43)co2)cc1 ZINC000192366598 823960584 /nfs/dbraw/zinc/96/05/84/823960584.db2.gz WXYBEYFNFRYFDU-LJQANCHMSA-N 1 1 378.428 4.001 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000575359517 823961377 /nfs/dbraw/zinc/96/13/77/823961377.db2.gz MDAAMEZJKICUEV-ZRCGQRJVSA-N 1 1 383.580 4.150 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000462405249 823961728 /nfs/dbraw/zinc/96/17/28/823961728.db2.gz CHUFWVLTRLHVDX-UHFFFAOYSA-N 1 1 377.819 4.438 20 0 GIADMO Fc1ccc(N2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C2)cc1 ZINC000414342628 823961749 /nfs/dbraw/zinc/96/17/49/823961749.db2.gz ITUBULANWGMBDZ-KOVSNXQUSA-N 1 1 379.523 4.190 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1)CC1CC1 ZINC000575364163 823962154 /nfs/dbraw/zinc/96/21/54/823962154.db2.gz UPGGYEVMWNSKPF-VXKWHMMOSA-N 1 1 387.543 4.225 20 0 GIADMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 ZINC000414350202 823962853 /nfs/dbraw/zinc/96/28/53/823962853.db2.gz QEZCVSITVMGJLG-QUCCMNQESA-N 1 1 384.886 4.171 20 0 GIADMO CCn1c(COc2ccc(Cl)cc2)nnc1SCC[C@H]1CCC[N@H+]1C ZINC000126838505 823963482 /nfs/dbraw/zinc/96/34/82/823963482.db2.gz AAOYEHJEFACWLP-OAHLLOKOSA-N 1 1 380.945 4.107 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CSC[C@@H]2CCCCO2)cc1 ZINC000170760369 823964373 /nfs/dbraw/zinc/96/43/73/823964373.db2.gz NVTMHHXDHJXRLY-PXNSSMCTSA-N 1 1 376.566 4.302 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNc1cc(C[NH+]2CCOCC2)ccc1C ZINC000414358716 823964549 /nfs/dbraw/zinc/96/45/49/823964549.db2.gz HPFCLODITBEFIJ-UHFFFAOYSA-N 1 1 394.494 4.073 20 0 GIADMO COc1cccc([C@H](C)C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000170774498 823967084 /nfs/dbraw/zinc/96/70/84/823967084.db2.gz BXPVMRHNRNHSEZ-IBGZPJMESA-N 1 1 380.532 4.169 20 0 GIADMO CNc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000575398949 823967091 /nfs/dbraw/zinc/96/70/91/823967091.db2.gz GRLKSKCOBSXAKU-MAUKXSAKSA-N 1 1 379.476 4.022 20 0 GIADMO CNc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000575398949 823967100 /nfs/dbraw/zinc/96/71/00/823967100.db2.gz 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CCCOc1c(Cl)cc(C[NH+]2CCC(c3ccncn3)CC2)cc1OC ZINC000414467863 823990847 /nfs/dbraw/zinc/99/08/47/823990847.db2.gz FFBZUBZRGZABPK-UHFFFAOYSA-N 1 1 375.900 4.307 20 0 GIADMO CC1(C)CC[C@@H](C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000575776263 823992001 /nfs/dbraw/zinc/99/20/01/823992001.db2.gz FEUPPGJTVYQYGV-GOSISDBHSA-N 1 1 381.520 4.249 20 0 GIADMO C[S@](=O)c1ccc(C[NH+]2CC(Cc3ccccc3)(c3ccccc3)C2)cc1 ZINC000414475337 823992134 /nfs/dbraw/zinc/99/21/34/823992134.db2.gz GQMYQIXRFCYLGR-MHZLTWQESA-N 1 1 375.537 4.420 20 0 GIADMO CC(=O)c1cccc(NC(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1 ZINC000126971509 823992543 /nfs/dbraw/zinc/99/25/43/823992543.db2.gz RDXIKYUJERUDJC-NRFANRHFSA-N 1 1 379.504 4.258 20 0 GIADMO CC(=O)c1cccc(NC(=O)C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)c1 ZINC000126971509 823992548 /nfs/dbraw/zinc/99/25/48/823992548.db2.gz RDXIKYUJERUDJC-NRFANRHFSA-N 1 1 379.504 4.258 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cnc(C(C)(C)C)s2)c1 ZINC000414498412 823995700 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COc1ccc(-n2ccc(CNc3[nH+]ccc4cc(OC)c(F)cc43)n2)cc1 ZINC000575948944 824034858 /nfs/dbraw/zinc/03/48/58/824034858.db2.gz SWSUKPSGEVZFQT-UHFFFAOYSA-N 1 1 378.407 4.189 20 0 GIADMO COCc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000192570648 824034846 /nfs/dbraw/zinc/03/48/46/824034846.db2.gz GSKGJBUTYWNQNU-GMAHTHKFSA-N 1 1 393.531 4.351 20 0 GIADMO O=C([C@H]1CC[N@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1)N1CCCC1 ZINC000575956597 824037386 /nfs/dbraw/zinc/03/73/86/824037386.db2.gz ZOQPBWOFYJPTSU-INIZCTEOSA-N 1 1 392.421 4.410 20 0 GIADMO CC[C@H](C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000575961955 824039203 /nfs/dbraw/zinc/03/92/03/824039203.db2.gz SJZBBEXFIBORHQ-VSKRKVRLSA-N 1 1 384.495 4.073 20 0 GIADMO C[C@@H]([NH3+])c1ccc(CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000414815326 824039217 /nfs/dbraw/zinc/03/92/17/824039217.db2.gz PCMZZMHSJVLCDA-OAHLLOKOSA-N 1 1 388.437 4.260 20 0 GIADMO CCCOc1c(Br)cc(CNC[C@H]([NH3+])c2ccccc2)cc1OC ZINC000414827544 824039965 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GIADMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC000192627054 824049243 /nfs/dbraw/zinc/04/92/43/824049243.db2.gz DZPIYNAFRLMCJR-KBXCAEBGSA-N 1 1 382.335 4.105 20 0 GIADMO CC(C)OCc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)ccc1O ZINC000576037481 824055272 /nfs/dbraw/zinc/05/52/72/824055272.db2.gz INYFQNSOJNRPDM-IBGZPJMESA-N 1 1 376.884 4.212 20 0 GIADMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000359996456 212129888 /nfs/dbraw/zinc/12/98/88/212129888.db2.gz HDICKJFBKREGFD-AWEZNQCLSA-N 1 1 399.495 4.010 20 0 GIADMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000359996456 212129892 /nfs/dbraw/zinc/12/98/92/212129892.db2.gz HDICKJFBKREGFD-AWEZNQCLSA-N 1 1 399.495 4.010 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(F)cc1NC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000359927347 212124781 /nfs/dbraw/zinc/12/47/81/212124781.db2.gz LEUFVXWESAEAPA-UHFFFAOYSA-N 1 1 397.435 4.003 20 0 GIADMO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000227604268 212115767 /nfs/dbraw/zinc/11/57/67/212115767.db2.gz GVAKWTORFOZYAV-GRDNDAEWSA-N 1 1 390.911 4.108 20 0 GIADMO COc1cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000013993963 221295459 /nfs/dbraw/zinc/29/54/59/221295459.db2.gz UBGZVYXLJAWPOF-IBGZPJMESA-N 1 1 389.467 4.033 20 0 GIADMO C[N@@H+]1CCN(C(=O)COc2ccccc2-c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000018232341 221391257 /nfs/dbraw/zinc/39/12/57/221391257.db2.gz IBTTZVUZGRUKHB-HSZRJFAPSA-N 1 1 386.495 4.248 20 0 GIADMO C[N@H+]1CCN(C(=O)COc2ccccc2-c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000018232341 221391258 /nfs/dbraw/zinc/39/12/58/221391258.db2.gz IBTTZVUZGRUKHB-HSZRJFAPSA-N 1 1 386.495 4.248 20 0 GIADMO Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)o2)cc1 ZINC000053403948 222009698 /nfs/dbraw/zinc/00/96/98/222009698.db2.gz DRNRYMGKVXRISN-GOSISDBHSA-N 1 1 383.536 4.209 20 0 GIADMO CCC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000053359834 222009916 /nfs/dbraw/zinc/00/99/16/222009916.db2.gz MPQVMHKSPKUIGR-GOSISDBHSA-N 1 1 393.531 4.340 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4[C@H](CC4(F)F)C3)c2c1C ZINC001164405523 718870520 /nfs/dbraw/zinc/87/05/20/718870520.db2.gz DMEOXKSJIWKBLS-CABCVRRESA-N 1 1 392.519 4.385 20 0 GIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CC(F)(F)[C@H]3C2)n1 ZINC001164407795 718870959 /nfs/dbraw/zinc/87/09/59/718870959.db2.gz KCWDBFZZIHGLJZ-KBPBESRZSA-N 1 1 380.508 4.241 20 0 GIADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001164421089 718902532 /nfs/dbraw/zinc/90/25/32/718902532.db2.gz OQJIMONKWAWRQT-DLBZAZTESA-N 1 1 388.581 4.155 20 0 GIADMO FC(F)(c1ccc(Cl)nc1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164618363 719050286 /nfs/dbraw/zinc/05/02/86/719050286.db2.gz AVFPVIREYAULLQ-SJLPKXTDSA-N 1 1 377.866 4.381 20 0 GIADMO Clc1cccc2c1ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629773 719065273 /nfs/dbraw/zinc/06/52/73/719065273.db2.gz YYYQOWDOQMXAGO-FXAWDEMLSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1nnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2sccc21 ZINC001164622853 719066369 /nfs/dbraw/zinc/06/63/69/719066369.db2.gz IZRHERPUDUFEIU-RDJZCZTQSA-N 1 1 384.936 4.446 20 0 GIADMO Clc1ccc2c(c1)ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164627772 719071118 /nfs/dbraw/zinc/07/11/18/719071118.db2.gz QPOCWDCAOAPMDM-LAUBAEHRSA-N 1 1 378.907 4.384 20 0 GIADMO CC(C)(C)OC(=O)c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001164623648 719077168 /nfs/dbraw/zinc/07/71/68/719077168.db2.gz KBPRBTUWRCGXKG-RTWAWAEBSA-N 1 1 393.531 4.138 20 0 GIADMO Clc1ccc2c(cnnc2N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626604 719080968 /nfs/dbraw/zinc/08/09/68/719080968.db2.gz OSKQEFBNGAXNQW-UTKZUKDTSA-N 1 1 378.907 4.384 20 0 GIADMO c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ncnc3[nH]c4ccccc4c32)cc1 ZINC001164629863 719083162 /nfs/dbraw/zinc/08/31/62/719083162.db2.gz ZOYGTCRZHYAYAA-RXVVDRJESA-N 1 1 383.499 4.212 20 0 GIADMO Clc1ccnc2nc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc12 ZINC001164628878 719084228 /nfs/dbraw/zinc/08/42/28/719084228.db2.gz UEWIOCFUQMYGCR-PXNSSMCTSA-N 1 1 378.907 4.384 20 0 GIADMO Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)nn1 ZINC001164622670 719099192 /nfs/dbraw/zinc/09/91/92/719099192.db2.gz CFKCLHCEYQNIMU-SJLPKXTDSA-N 1 1 392.881 4.084 20 0 GIADMO Fc1ccc(-c2ccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nn2)cc1 ZINC001164625166 719100740 /nfs/dbraw/zinc/10/07/40/719100740.db2.gz GXZWGFICYPTFJJ-OFNKIYASSA-N 1 1 388.490 4.384 20 0 GIADMO c1ccc(Cc2nccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2)cc1 ZINC001164629862 719103496 /nfs/dbraw/zinc/10/34/96/719103496.db2.gz TYZHIULCJHTMAO-XZOQPEGZSA-N 1 1 384.527 4.168 20 0 GIADMO c1cc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)cs1 ZINC001164630076 719108457 /nfs/dbraw/zinc/10/84/57/719108457.db2.gz UWPRJAGCQPNDEM-WIYYLYMNSA-N 1 1 376.529 4.306 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@@H](C)C[N@@H+]1C ZINC001164632267 719183978 /nfs/dbraw/zinc/18/39/78/719183978.db2.gz DRXCSRCWGUKLDC-ZJUUUORDSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)nc(Cl)c3c2)[C@@H](C)C[N@H+]1C ZINC001164632267 719183982 /nfs/dbraw/zinc/18/39/82/719183982.db2.gz DRXCSRCWGUKLDC-ZJUUUORDSA-N 1 1 375.250 4.010 20 0 GIADMO COc1cc(Cl)cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164692871 719808072 /nfs/dbraw/zinc/80/80/72/719808072.db2.gz NGEYPIXGTQJUAM-UHFFFAOYSA-N 1 1 392.956 4.144 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)c(Cl)c(C)n2)CC3)cs1 ZINC001164692619 719810560 /nfs/dbraw/zinc/81/05/60/719810560.db2.gz LRCMCTUFOQACGW-UHFFFAOYSA-N 1 1 391.972 4.147 20 0 GIADMO CSCc1ccc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc1 ZINC001164691574 719815332 /nfs/dbraw/zinc/81/53/32/719815332.db2.gz HULCJCUWCVVSNK-UHFFFAOYSA-N 1 1 388.606 4.345 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3ccsc31)C2 ZINC001164814230 720099078 /nfs/dbraw/zinc/09/90/78/720099078.db2.gz WFSUYEJDHIXMEA-MGPUTAFESA-N 1 1 391.968 4.134 20 0 GIADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3ccsc31)C2 ZINC001164814232 720099633 /nfs/dbraw/zinc/09/96/33/720099633.db2.gz WFSUYEJDHIXMEA-QRWLVFNGSA-N 1 1 391.968 4.134 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc(Cl)cc3n1)C2 ZINC001164811131 720139256 /nfs/dbraw/zinc/13/92/56/720139256.db2.gz LOJBYDJLJKLDKU-PGRDOPGGSA-N 1 1 385.939 4.073 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc3ccc(C)cc31)C2 ZINC001164814383 720145068 /nfs/dbraw/zinc/14/50/68/720145068.db2.gz SDLUXIDKCOFLJA-CVDCTZTESA-N 1 1 399.966 4.381 20 0 GIADMO Cc1ccc2cc(Cl)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164731603 720410698 /nfs/dbraw/zinc/41/06/98/720410698.db2.gz MCPGITKMMGONDH-UXHICEINSA-N 1 1 378.907 4.445 20 0 GIADMO Fc1cccc2cc(Cl)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c12 ZINC001164731120 720488676 /nfs/dbraw/zinc/48/86/76/720488676.db2.gz VUIDHQJQUBMLDD-QZTJIDSGSA-N 1 1 382.870 4.276 20 0 GIADMO Cc1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1 ZINC001164838050 720542730 /nfs/dbraw/zinc/54/27/30/720542730.db2.gz NRBRDHILBLFUDO-FUPPJEDESA-N 1 1 389.547 4.118 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3occc3n1)CC2 ZINC001164841272 720696065 /nfs/dbraw/zinc/69/60/65/720696065.db2.gz IRJUCPWKGQWINP-IBGZPJMESA-N 1 1 377.488 4.088 20 0 GIADMO CSc1cccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164836456 720709288 /nfs/dbraw/zinc/70/92/88/720709288.db2.gz AWJPSHGXCJXRED-LJQANCHMSA-N 1 1 383.561 4.063 20 0 GIADMO CCCCc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncn1 ZINC001164836973 720723639 /nfs/dbraw/zinc/72/36/39/720723639.db2.gz CEUFNZOUIWOXKT-JOCHJYFZSA-N 1 1 394.563 4.079 20 0 GIADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@H]2c2csc(C)n2)nc1 ZINC001164745461 720865038 /nfs/dbraw/zinc/86/50/38/720865038.db2.gz DPLJJIRKYDWTLP-VQTJNVASSA-N 1 1 386.565 4.361 20 0 GIADMO Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc2c(C)cccc12 ZINC001164859889 720927234 /nfs/dbraw/zinc/92/72/34/720927234.db2.gz QHEZDAOHJNRWQV-SFHVURJKSA-N 1 1 377.536 4.470 20 0 GIADMO Cc1cc(Cl)ncc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859919 720962887 /nfs/dbraw/zinc/96/28/87/720962887.db2.gz OLYAYAARBJJHFH-CQSZACIVSA-N 1 1 397.901 4.206 20 0 GIADMO COc1ccc2nc(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)cc(C)c2c1 ZINC001164859177 720963248 /nfs/dbraw/zinc/96/32/48/720963248.db2.gz KTPTUQJTVZKUHG-KRWDZBQOSA-N 1 1 393.535 4.170 20 0 GIADMO Fc1ccc2nc(Cl)cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164787516 721401118 /nfs/dbraw/zinc/40/11/18/721401118.db2.gz POKVYXJYJQHADW-BETUJISGSA-N 1 1 388.899 4.052 20 0 GIADMO CC(C)Oc1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792625 721496841 /nfs/dbraw/zinc/49/68/41/721496841.db2.gz SOHUQSRAPNSLFH-UHFFFAOYSA-N 1 1 380.536 4.145 20 0 GIADMO CC(C)Oc1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792625 721496843 /nfs/dbraw/zinc/49/68/43/721496843.db2.gz SOHUQSRAPNSLFH-UHFFFAOYSA-N 1 1 380.536 4.145 20 0 GIADMO FC1(F)CCN(c2ccc3c(n2)CCCC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907933 721699653 /nfs/dbraw/zinc/69/96/53/721699653.db2.gz WSDNYWMWXBABIT-JOCHJYFZSA-N 1 1 398.501 4.093 20 0 GIADMO Fc1cnc(Cl)cc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907515 721701404 /nfs/dbraw/zinc/70/14/04/721701404.db2.gz VCGGLKPQQAYHLP-GOSISDBHSA-N 1 1 396.844 4.007 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3ccsc31)C2 ZINC001164908395 721751324 /nfs/dbraw/zinc/75/13/24/721751324.db2.gz HPMPKBQCEMDMKB-UHFFFAOYSA-N 1 1 390.512 4.479 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3ccsc31)C2 ZINC001164908395 721751327 /nfs/dbraw/zinc/75/13/27/721751327.db2.gz HPMPKBQCEMDMKB-UHFFFAOYSA-N 1 1 390.512 4.479 20 0 GIADMO Cc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ccc1Cl ZINC001164908812 721752037 /nfs/dbraw/zinc/75/20/37/721752037.db2.gz KTLJUSFTGWHQEQ-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ccc1Cl ZINC001164908812 721752044 /nfs/dbraw/zinc/75/20/44/721752044.db2.gz KTLJUSFTGWHQEQ-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1cc2cccnc2c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909632 721763756 /nfs/dbraw/zinc/76/37/56/721763756.db2.gz DQFYKTBVRISGTK-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1cc2cccnc2c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909632 721763760 /nfs/dbraw/zinc/76/37/60/721763760.db2.gz DQFYKTBVRISGTK-UHFFFAOYSA-N 1 1 399.498 4.121 20 0 GIADMO Cc1cccc2ncc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165026414 721809674 /nfs/dbraw/zinc/80/96/74/721809674.db2.gz PWKRXBJBINDMCC-RCZSKKKRSA-N 1 1 387.531 4.070 20 0 GIADMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc2ccccc12 ZINC001165027365 721809701 /nfs/dbraw/zinc/80/97/01/721809701.db2.gz UJYWKCYHXZLFCQ-HARLFGEKSA-N 1 1 387.531 4.070 20 0 GIADMO Cc1cc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2s1 ZINC001165024885 721820520 /nfs/dbraw/zinc/82/05/20/721820520.db2.gz KUICLRLRPXKJAW-HQRMLTQVSA-N 1 1 393.560 4.132 20 0 GIADMO Cc1csc2cnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nc12 ZINC001165020755 721821080 /nfs/dbraw/zinc/82/10/80/721821080.db2.gz DPFFFOUQJVRTTC-WDSOQIARSA-N 1 1 393.560 4.132 20 0 GIADMO CSc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c1 ZINC001165028978 721821793 /nfs/dbraw/zinc/82/17/93/721821793.db2.gz WCCVDYVWUSASRT-WMQCIHAUSA-N 1 1 382.577 4.244 20 0 GIADMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C(C)(C)C)n1 ZINC001165019920 721825862 /nfs/dbraw/zinc/82/58/62/721825862.db2.gz CNDXLMZVNVOPLL-CEWLAPEOSA-N 1 1 393.579 4.214 20 0 GIADMO Cc1cc2c(ccnc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)o1 ZINC001165024034 721826372 /nfs/dbraw/zinc/82/63/72/721826372.db2.gz JJWSVXGUXSSPKJ-DZFGPLHGSA-N 1 1 376.504 4.268 20 0 GIADMO CSCc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1 ZINC001165022201 721827724 /nfs/dbraw/zinc/82/77/24/721827724.db2.gz GQCVOZOOTAKBLQ-TYPHKJRUSA-N 1 1 382.577 4.077 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc5ccsc5cn4)CC3)C2)cc1 ZINC001164938617 721928019 /nfs/dbraw/zinc/92/80/19/721928019.db2.gz AWZWACAZOWCEDK-UHFFFAOYSA-N 1 1 393.556 4.476 20 0 GIADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCCC[C@H]3c3cccnc3)C2)cc1 ZINC001165045776 721963035 /nfs/dbraw/zinc/96/30/35/721963035.db2.gz AMXVWZOOIYJGRN-QHCPKHFHSA-N 1 1 385.515 4.162 20 0 GIADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCCC[C@H]3c3cccnc3)C2)cc1 ZINC001165045776 721963038 /nfs/dbraw/zinc/96/30/38/721963038.db2.gz AMXVWZOOIYJGRN-QHCPKHFHSA-N 1 1 385.515 4.162 20 0 GIADMO Clc1nc2ccccc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951696 722015658 /nfs/dbraw/zinc/01/56/58/722015658.db2.gz CGVQYZBKFQDHJQ-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Clc1ccc2c(c1)ncnc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952198 722016073 /nfs/dbraw/zinc/01/60/73/722016073.db2.gz JFIBQKRGLAXMFM-UHFFFAOYSA-N 1 1 393.922 4.171 20 0 GIADMO Cc1c(Cl)nc(C(C)C)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164962664 722024093 /nfs/dbraw/zinc/02/40/93/722024093.db2.gz QRQCOJHFKKFUBF-UHFFFAOYSA-N 1 1 399.970 4.449 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(Cl)nc(C4CC4)n2)C3)c1 ZINC001164993879 722193522 /nfs/dbraw/zinc/19/35/22/722193522.db2.gz IHBSFSUNJXLYAS-OAQYLSRUSA-N 1 1 386.902 4.391 20 0 GIADMO COc1ccc2ncnc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2c1 ZINC001164994685 722195793 /nfs/dbraw/zinc/19/57/93/722195793.db2.gz OZWWLAABYXGYAH-QHCPKHFHSA-N 1 1 392.478 4.022 20 0 GIADMO Cc1cc2cccnc2c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995529 722211772 /nfs/dbraw/zinc/21/17/72/722211772.db2.gz JPKAKNCBJQHNRG-HSZRJFAPSA-N 1 1 376.479 4.322 20 0 GIADMO COc1ccc([C@@H](C)CC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000175812615 823045811 /nfs/dbraw/zinc/04/58/11/823045811.db2.gz FLSSHMMAWTUQDX-HNNXBMFYSA-N 1 1 381.451 4.138 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000458491520 823047159 /nfs/dbraw/zinc/04/71/59/823047159.db2.gz JZTLTHNMDJUUGN-QTEQDKRBSA-N 1 1 394.563 4.145 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000458491522 823047248 /nfs/dbraw/zinc/04/72/48/823047248.db2.gz JZTLTHNMDJUUGN-VIZSFHNOSA-N 1 1 394.563 4.145 20 0 GIADMO Cc1csc([C@H](NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000175825266 823048755 /nfs/dbraw/zinc/04/87/55/823048755.db2.gz WHBGFRFGWDNMLC-UYAOXDASSA-N 1 1 398.576 4.066 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC2CCC(C(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000458509665 823049041 /nfs/dbraw/zinc/04/90/41/823049041.db2.gz WRWPCMGTAFZAMQ-HJZRJOMTSA-N 1 1 379.495 4.163 20 0 GIADMO CN(C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1)[C@H]1CCC[N@@H+](C)C1 ZINC000187362609 823049956 /nfs/dbraw/zinc/04/99/56/823049956.db2.gz IOMCHWPGYBMRMA-ZDUSSCGKSA-N 1 1 382.382 4.011 20 0 GIADMO Cc1cc(=O)oc2cc(OCC[N@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)ccc12 ZINC000175832199 823050388 /nfs/dbraw/zinc/05/03/88/823050388.db2.gz DUAZWEAGAIHBAX-APWZRJJASA-N 1 1 399.512 4.130 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)CCCc2cccnc2)cc1 ZINC000458525838 823050981 /nfs/dbraw/zinc/05/09/81/823050981.db2.gz JQGPHOPTEGNQRE-MSOLQXFVSA-N 1 1 391.519 4.347 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000175836175 823051285 /nfs/dbraw/zinc/05/12/85/823051285.db2.gz IAKBNGSMBFKNCI-IIBYNOLFSA-N 1 1 377.492 4.127 20 0 GIADMO Fc1ccc(Cn2cc(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)cn2)cc1 ZINC000187371165 823051449 /nfs/dbraw/zinc/05/14/49/823051449.db2.gz LOVOVRYRVYXYBV-OAQYLSRUSA-N 1 1 379.479 4.109 20 0 GIADMO Clc1cccc(-c2nnc(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)o2)c1 ZINC000570555306 823054092 /nfs/dbraw/zinc/05/40/92/823054092.db2.gz VUNCONOJLUSJNO-SFHVURJKSA-N 1 1 380.879 4.027 20 0 GIADMO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ncc(Br)cc2F)n1 ZINC000187375292 823051996 /nfs/dbraw/zinc/05/19/96/823051996.db2.gz GOOKEAMQSVAZPR-ZDUSSCGKSA-N 1 1 389.272 4.328 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)s3)CC2)cs1 ZINC000175840486 823052566 /nfs/dbraw/zinc/05/25/66/823052566.db2.gz SBUCSSSWOSYHNC-UHFFFAOYSA-N 1 1 378.567 4.109 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3nc(-c4ccccc4)no3)C2)s1 ZINC000570553803 823053499 /nfs/dbraw/zinc/05/34/99/823053499.db2.gz OTVRGJCTNTXRBP-QGZVFWFLSA-N 1 1 382.533 4.060 20 0 GIADMO Cn1c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)nc2cc(Cl)ccc21 ZINC000175846262 823053831 /nfs/dbraw/zinc/05/38/31/823053831.db2.gz ONHNLBRJHFGGTQ-PBHICJAKSA-N 1 1 375.925 4.376 20 0 GIADMO C[N@@H+](CCC1CCOCC1)Cc1ncc(-c2ccccc2Br)o1 ZINC000120759291 823058412 /nfs/dbraw/zinc/05/84/12/823058412.db2.gz VZTISWWEBYJJIM-UHFFFAOYSA-N 1 1 379.298 4.353 20 0 GIADMO O=C(C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1)NCc1ccc(F)cc1 ZINC000570567108 823055546 /nfs/dbraw/zinc/05/55/46/823055546.db2.gz RCPFYWRQNVOSIK-CTNGQTDRSA-N 1 1 388.527 4.036 20 0 GIADMO C[N@@H+](CCC1CCOCC1)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000120748705 823056538 /nfs/dbraw/zinc/05/65/38/823056538.db2.gz MUAALYJJCZVICD-UHFFFAOYSA-N 1 1 379.715 4.334 20 0 GIADMO O=C(C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccc(F)cc1F ZINC000175858068 823056977 /nfs/dbraw/zinc/05/69/77/823056977.db2.gz JOFRZKHEGUIWJN-QAPCUYQASA-N 1 1 394.487 4.333 20 0 GIADMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccc(F)cc1F ZINC000175858068 823056982 /nfs/dbraw/zinc/05/69/82/823056982.db2.gz JOFRZKHEGUIWJN-QAPCUYQASA-N 1 1 394.487 4.333 20 0 GIADMO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c(-c2cc3ccccc3o2)n1 ZINC000120753499 823057518 /nfs/dbraw/zinc/05/75/18/823057518.db2.gz UIVQRRJKJSMWKV-LJQANCHMSA-N 1 1 379.485 4.468 20 0 GIADMO Cn1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c(-c2cc3ccccc3o2)n1 ZINC000120753499 823057524 /nfs/dbraw/zinc/05/75/24/823057524.db2.gz UIVQRRJKJSMWKV-LJQANCHMSA-N 1 1 379.485 4.468 20 0 GIADMO Cc1cnc([C@H](NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175874180 823061044 /nfs/dbraw/zinc/06/10/44/823061044.db2.gz PAYBRKIUCYPEQS-OXJNMPFZSA-N 1 1 398.576 4.209 20 0 GIADMO Cc1cnc([C@H](NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C2CC2)s1 ZINC000175874216 823061147 /nfs/dbraw/zinc/06/11/47/823061147.db2.gz PAYBRKIUCYPEQS-OXQOHEQNSA-N 1 1 398.576 4.209 20 0 GIADMO Cc1cnc([C@@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C2CC2)s1 ZINC000175883942 823063292 /nfs/dbraw/zinc/06/32/92/823063292.db2.gz SHJJBXCOINDXRZ-IBGZPJMESA-N 1 1 390.597 4.200 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)[C@H](C)C1 ZINC000120781437 823062918 /nfs/dbraw/zinc/06/29/18/823062918.db2.gz CLDVTBINEAIUPN-APWZRJJASA-N 1 1 388.556 4.174 20 0 GIADMO Cc1noc(C)c1CN(C)Cc1ccccc1C[N@H+](C)Cc1c(C)noc1C ZINC000055902153 823064354 /nfs/dbraw/zinc/06/43/54/823064354.db2.gz KLEQTUKMEZNZRT-UHFFFAOYSA-N 1 1 382.508 4.160 20 0 GIADMO Cc1noc(C)c1CN(C)Cc1ccccc1C[N@@H+](C)Cc1c(C)noc1C ZINC000055902153 823064358 /nfs/dbraw/zinc/06/43/58/823064358.db2.gz KLEQTUKMEZNZRT-UHFFFAOYSA-N 1 1 382.508 4.160 20 0 GIADMO CCN1CCN(c2ccc(C[NH2+][C@H]3CCCc4ccc(SC)cc43)cn2)CC1 ZINC000570632352 823064712 /nfs/dbraw/zinc/06/47/12/823064712.db2.gz LFDMCIPZICNROK-QFIPXVFZSA-N 1 1 396.604 4.113 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000175891773 823064890 /nfs/dbraw/zinc/06/48/90/823064890.db2.gz ODMKGCBNCYVGTF-SFTDATJTSA-N 1 1 384.499 4.436 20 0 GIADMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000175891792 823064926 /nfs/dbraw/zinc/06/49/26/823064926.db2.gz ODMKGCBNCYVGTF-RTWAWAEBSA-N 1 1 384.499 4.436 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)c3nc(-c4cccnc4)no3)C2)s1 ZINC000570635696 823065075 /nfs/dbraw/zinc/06/50/75/823065075.db2.gz SHDGXARNBHKFLC-SJORKVTESA-N 1 1 397.548 4.016 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CCc3ccccn3)c2)cc1 ZINC000120807411 823068101 /nfs/dbraw/zinc/06/81/01/823068101.db2.gz BQRPFRJRBWAPKX-UHFFFAOYSA-N 1 1 375.472 4.017 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000055918928 823066630 /nfs/dbraw/zinc/06/66/30/823066630.db2.gz MOWGUGJOZARYHR-IYBDPMFKSA-N 1 1 386.467 4.086 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000055918928 823066635 /nfs/dbraw/zinc/06/66/35/823066635.db2.gz MOWGUGJOZARYHR-IYBDPMFKSA-N 1 1 386.467 4.086 20 0 GIADMO Cc1csc(Sc2ccc(NC(=O)N3CC[NH+](C4CC4)CC3)c(C)c2)n1 ZINC000175897792 823066755 /nfs/dbraw/zinc/06/67/55/823066755.db2.gz ACBAXSWSPPHTTA-UHFFFAOYSA-N 1 1 388.562 4.223 20 0 GIADMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000120810287 823068750 /nfs/dbraw/zinc/06/87/50/823068750.db2.gz OHTBMYZDKOHTDF-AVRDEDQJSA-N 1 1 379.504 4.131 20 0 GIADMO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000120814854 823069864 /nfs/dbraw/zinc/06/98/64/823069864.db2.gz HOBDBHYSMSSBKS-VGSWGCGISA-N 1 1 377.532 4.404 20 0 GIADMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000120818319 823070391 /nfs/dbraw/zinc/07/03/91/823070391.db2.gz KVGOVKMBJYRWGL-HOCLYGCPSA-N 1 1 389.496 4.163 20 0 GIADMO O=C(CCC[N@@H+]1CCC[C@H]1CN1CCCCC1)c1ccc(Br)cc1 ZINC000570688124 823071839 /nfs/dbraw/zinc/07/18/39/823071839.db2.gz RSVMVVCYEAMIPZ-IBGZPJMESA-N 1 1 393.369 4.362 20 0 GIADMO O=C(CCC[N@H+]1CCC[C@H]1CN1CCCCC1)c1ccc(Br)cc1 ZINC000570688124 823071845 /nfs/dbraw/zinc/07/18/45/823071845.db2.gz RSVMVVCYEAMIPZ-IBGZPJMESA-N 1 1 393.369 4.362 20 0 GIADMO C[C@@H](NC(=O)N1CC(c2cccc(Cl)c2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458683438 823073817 /nfs/dbraw/zinc/07/38/17/823073817.db2.gz OZILREIKBKQAEP-XLIONFOSSA-N 1 1 397.950 4.359 20 0 GIADMO Cc1noc(C)c1CCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000120847347 823075907 /nfs/dbraw/zinc/07/59/07/823075907.db2.gz OUGYPXKLAHBSRK-QGZVFWFLSA-N 1 1 398.551 4.098 20 0 GIADMO Cc1ccc(N[C@H](C)C2CCSCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000187510150 823077888 /nfs/dbraw/zinc/07/78/88/823077888.db2.gz GZCKDQAISCWNCR-QGZVFWFLSA-N 1 1 375.582 4.363 20 0 GIADMO Cc1cc(C(C)(C)C)cc(C)c1C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120857802 823078253 /nfs/dbraw/zinc/07/82/53/823078253.db2.gz LXQORXOCRBLTBK-QGZVFWFLSA-N 1 1 382.512 4.256 20 0 GIADMO C[N@@H+](CCCNC(=O)c1ccccc1NCc1cccnc1)C1CCCCC1 ZINC000175943315 823078376 /nfs/dbraw/zinc/07/83/76/823078376.db2.gz OMESSLRTQLNCHS-UHFFFAOYSA-N 1 1 380.536 4.078 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCc2cc(F)ccc2F)C[C@@H](C)O1 ZINC000056016715 823079448 /nfs/dbraw/zinc/07/94/48/823079448.db2.gz ZGLKDZCYJRYFEN-HZPDHXFCSA-N 1 1 388.458 4.145 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)ccc1OC(F)F ZINC000120867249 823079612 /nfs/dbraw/zinc/07/96/12/823079612.db2.gz FAYPXAAGIWFGFW-CYBMUJFWSA-N 1 1 382.426 4.348 20 0 GIADMO COc1ccc([C@H](C)CC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000175948713 823080105 /nfs/dbraw/zinc/08/01/05/823080105.db2.gz BQFNHWUSXUTGMD-QGZVFWFLSA-N 1 1 384.545 4.376 20 0 GIADMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458741896 823080272 /nfs/dbraw/zinc/08/02/72/823080272.db2.gz NEJCSJSEBWVJJJ-QFHJOOASSA-N 1 1 397.485 4.269 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000570758053 823081821 /nfs/dbraw/zinc/08/18/21/823081821.db2.gz NZTPCXDXNKQXRV-QFIPXVFZSA-N 1 1 384.426 4.047 20 0 GIADMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccc(Cl)c1Cl ZINC000056039376 823080876 /nfs/dbraw/zinc/08/08/76/823080876.db2.gz KRKTUDBPWNILOX-UHFFFAOYSA-N 1 1 379.287 4.120 20 0 GIADMO CC(C)Sc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056039312 823080960 /nfs/dbraw/zinc/08/09/60/823080960.db2.gz GYEYEPZRPOPZDG-UHFFFAOYSA-N 1 1 384.545 4.314 20 0 GIADMO CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OCC ZINC000187523426 823081200 /nfs/dbraw/zinc/08/12/00/823081200.db2.gz GIIZICIHFBTIBH-QFIPXVFZSA-N 1 1 383.467 4.236 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2noc3ccc(F)cc32)C1 ZINC000570783645 823086739 /nfs/dbraw/zinc/08/67/39/823086739.db2.gz OHUHLPNKRKDUSL-MRXNPFEDSA-N 1 1 395.478 4.058 20 0 GIADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)Cc3cccc4cccnc43)c2)C[C@H](C)O1 ZINC000120900433 823084093 /nfs/dbraw/zinc/08/40/93/823084093.db2.gz KHQBDRSUOPWIDP-ROUUACIJSA-N 1 1 389.499 4.025 20 0 GIADMO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ncc(Br)cc1F ZINC000187537243 823084498 /nfs/dbraw/zinc/08/44/98/823084498.db2.gz ZNMOTUOFGDVXJR-LBPRGKRZSA-N 1 1 389.272 4.235 20 0 GIADMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000570785428 823087048 /nfs/dbraw/zinc/08/70/48/823087048.db2.gz VHJQZJUGQPALBT-KNQAVFIVSA-N 1 1 396.531 4.220 20 0 GIADMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000120923649 823087436 /nfs/dbraw/zinc/08/74/36/823087436.db2.gz DEUMWCKRWRDMPO-BJKOFHAPSA-N 1 1 392.543 4.013 20 0 GIADMO CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000175986462 823089003 /nfs/dbraw/zinc/08/90/03/823089003.db2.gz OOEKAQCDNNIGCA-OPAMFIHVSA-N 1 1 397.494 4.016 20 0 GIADMO CC(=O)Nc1cccc([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000175986462 823089009 /nfs/dbraw/zinc/08/90/09/823089009.db2.gz OOEKAQCDNNIGCA-OPAMFIHVSA-N 1 1 397.494 4.016 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000120955382 823092460 /nfs/dbraw/zinc/09/24/60/823092460.db2.gz ZYOADJINPJHVFI-UHFFFAOYSA-N 1 1 394.412 4.373 20 0 GIADMO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000570826019 823092114 /nfs/dbraw/zinc/09/21/14/823092114.db2.gz MNOQAUDSQSQIFT-ZDUSSCGKSA-N 1 1 376.298 4.434 20 0 GIADMO CCCOc1ccc([C@@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1OC ZINC000056161951 823092928 /nfs/dbraw/zinc/09/29/28/823092928.db2.gz PBKODYLHANJLFZ-ZHRRBRCNSA-N 1 1 382.504 4.155 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc3c(cc(C)c(=O)n3C)c2)cc1)C1CC1 ZINC000570834934 823093290 /nfs/dbraw/zinc/09/32/90/823093290.db2.gz PRCDKODCELZYCP-UHFFFAOYSA-N 1 1 389.499 4.084 20 0 GIADMO CCCN(C(=O)NCc1c(C)onc1CC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000458838398 823095777 /nfs/dbraw/zinc/09/57/77/823095777.db2.gz HZLYFCGWICDQBZ-HXUWFJFHSA-N 1 1 398.551 4.132 20 0 GIADMO CC(=O)c1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000570853089 823095795 /nfs/dbraw/zinc/09/57/95/823095795.db2.gz DXYKWAQHFQRAJH-SFTDATJTSA-N 1 1 391.515 4.183 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000187601596 823096015 /nfs/dbraw/zinc/09/60/15/823096015.db2.gz DGPJARKOICZLCX-WBVHZDCISA-N 1 1 384.501 4.172 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000187601596 823096018 /nfs/dbraw/zinc/09/60/18/823096018.db2.gz DGPJARKOICZLCX-WBVHZDCISA-N 1 1 384.501 4.172 20 0 GIADMO CCc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c2cccs2)cc1 ZINC000570871904 823099587 /nfs/dbraw/zinc/09/95/87/823099587.db2.gz QQZPUAJLYGBXDJ-JTAQYXEDSA-N 1 1 398.572 4.160 20 0 GIADMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cc(-c2cccnc2)on1)c1ccc(Cl)cc1 ZINC000570874308 823100046 /nfs/dbraw/zinc/10/00/46/823100046.db2.gz XGTDLAFBGARVQB-IBGZPJMESA-N 1 1 398.894 4.203 20 0 GIADMO Cc1cccc(COc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)c1 ZINC000176044883 823105343 /nfs/dbraw/zinc/10/53/43/823105343.db2.gz QBNGQHYINXTWJE-WMZHIEFXSA-N 1 1 395.547 4.056 20 0 GIADMO O=C(C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1)C(F)(F)F ZINC000187657492 823107019 /nfs/dbraw/zinc/10/70/19/823107019.db2.gz MITYBLOXIYCAFY-UHFFFAOYSA-N 1 1 382.338 4.198 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC000121051061 823109249 /nfs/dbraw/zinc/10/92/49/823109249.db2.gz ASHPQRQPGODXGO-INIZCTEOSA-N 1 1 377.504 4.343 20 0 GIADMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000121054649 823109955 /nfs/dbraw/zinc/10/99/55/823109955.db2.gz DETMYXSZEJKCGM-UHFFFAOYSA-N 1 1 390.842 4.059 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cs1 ZINC000570973754 823113919 /nfs/dbraw/zinc/11/39/19/823113919.db2.gz COBVBLWQDNENEN-DLBZAZTESA-N 1 1 387.574 4.053 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C[C@H]1C ZINC000458975184 823112406 /nfs/dbraw/zinc/11/24/06/823112406.db2.gz AROQGAPSUSVNHM-ACWOFJMJSA-N 1 1 381.923 4.444 20 0 GIADMO CCN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCOC(C)(C)C1 ZINC000458979527 823112992 /nfs/dbraw/zinc/11/29/92/823112992.db2.gz QXUUYJSVJQAMPU-FQEVSTJZSA-N 1 1 387.568 4.030 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000570968896 823113248 /nfs/dbraw/zinc/11/32/48/823113248.db2.gz MFIGJAJPELDOOS-HNNXBMFYSA-N 1 1 390.959 4.052 20 0 GIADMO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000121083432 823115196 /nfs/dbraw/zinc/11/51/96/823115196.db2.gz UGCOBONZPIOOAA-HNNXBMFYSA-N 1 1 392.594 4.218 20 0 GIADMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000121083432 823115200 /nfs/dbraw/zinc/11/52/00/823115200.db2.gz UGCOBONZPIOOAA-HNNXBMFYSA-N 1 1 392.594 4.218 20 0 GIADMO CCOc1ccc(C[NH+]2CCN(Cc3cc(Cl)nc(Cl)c3)CC2)cc1 ZINC000060569365 823543415 /nfs/dbraw/zinc/54/34/15/823543415.db2.gz XUKDYSPSJXRSLN-UHFFFAOYSA-N 1 1 380.319 4.105 20 0 GIADMO Cc1ccc(N2CCC(C(=O)NC[C@H](c3ccccc3)C(F)(F)F)CC2)[nH+]c1 ZINC000187706079 823116957 /nfs/dbraw/zinc/11/69/57/823116957.db2.gz BBOBMYXFISUXIQ-GOSISDBHSA-N 1 1 391.437 4.069 20 0 GIADMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000570996129 823117529 /nfs/dbraw/zinc/11/75/29/823117529.db2.gz DJXYQFOWNOZHAV-GOSISDBHSA-N 1 1 386.927 4.052 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2cc(C)oc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000121094895 823117620 /nfs/dbraw/zinc/11/76/20/823117620.db2.gz UDHOEFFYVLKQSI-QFIPXVFZSA-N 1 1 399.512 4.188 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)CC2)cs1 ZINC000121100767 823118451 /nfs/dbraw/zinc/11/84/51/823118451.db2.gz GBVMFHMSGJXYGJ-XLIONFOSSA-N 1 1 397.588 4.377 20 0 GIADMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccc(C)c3)n2)c(OC)c1 ZINC000056305063 823124363 /nfs/dbraw/zinc/12/43/63/823124363.db2.gz QFGXDWAVMNNSDF-IBGZPJMESA-N 1 1 379.460 4.399 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3cccc(C)c3)n2)c(OC)c1 ZINC000056305063 823124365 /nfs/dbraw/zinc/12/43/65/823124365.db2.gz QFGXDWAVMNNSDF-IBGZPJMESA-N 1 1 379.460 4.399 20 0 GIADMO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000187737223 823122279 /nfs/dbraw/zinc/12/22/79/823122279.db2.gz LZCLEAYZDNZZEZ-MRXNPFEDSA-N 1 1 380.444 4.086 20 0 GIADMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000187737223 823122281 /nfs/dbraw/zinc/12/22/81/823122281.db2.gz LZCLEAYZDNZZEZ-MRXNPFEDSA-N 1 1 380.444 4.086 20 0 GIADMO CC(C)c1noc2ncc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC000176111859 823123956 /nfs/dbraw/zinc/12/39/56/823123956.db2.gz ZZYSOMWOAZYOQN-VQIMIIECSA-N 1 1 392.503 4.129 20 0 GIADMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(Cl)c3cccnc23)cc1 ZINC000187744684 823124005 /nfs/dbraw/zinc/12/40/05/823124005.db2.gz VGBXUBVTVYGPAO-UHFFFAOYSA-N 1 1 384.863 4.072 20 0 GIADMO O=C(CCCC1CCCCC1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000571046163 823124997 /nfs/dbraw/zinc/12/49/97/823124997.db2.gz BEPXKYUGGXNPSF-UHFFFAOYSA-N 1 1 386.584 4.333 20 0 GIADMO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176114898 823125025 /nfs/dbraw/zinc/12/50/25/823125025.db2.gz XYZLPMCAQJBLAQ-ACIOBRDBSA-N 1 1 396.506 4.074 20 0 GIADMO O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176114898 823125026 /nfs/dbraw/zinc/12/50/26/823125026.db2.gz XYZLPMCAQJBLAQ-ACIOBRDBSA-N 1 1 396.506 4.074 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000459080424 823125204 /nfs/dbraw/zinc/12/52/04/823125204.db2.gz DQIKWWHOCWXPGA-DJABAAGCSA-N 1 1 377.960 4.490 20 0 GIADMO C[C@H](c1ccc(NCCC(=O)Nc2ccc(Cl)cc2)cc1)[NH+]1CCOCC1 ZINC000571075130 823128533 /nfs/dbraw/zinc/12/85/33/823128533.db2.gz KGINKQRMAFLPIH-MRXNPFEDSA-N 1 1 387.911 4.174 20 0 GIADMO CCOc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)ccc1OC ZINC000571083102 823129489 /nfs/dbraw/zinc/12/94/89/823129489.db2.gz BXBHPPUMZCUHHY-NRFANRHFSA-N 1 1 380.532 4.381 20 0 GIADMO CCOc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)ccc1OC ZINC000571083102 823129492 /nfs/dbraw/zinc/12/94/92/823129492.db2.gz BXBHPPUMZCUHHY-NRFANRHFSA-N 1 1 380.532 4.381 20 0 GIADMO CSc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1Cl ZINC000176125990 823129536 /nfs/dbraw/zinc/12/95/36/823129536.db2.gz RABMZNOYIUBOCT-UHFFFAOYSA-N 1 1 387.896 4.273 20 0 GIADMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc3oc4ccccc4c3c2)CCCO1 ZINC000571120897 823135383 /nfs/dbraw/zinc/13/53/83/823135383.db2.gz DUUVHZSRALBLNH-INIZCTEOSA-N 1 1 381.476 4.208 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(COc3ccc(F)cc3)c1)C2 ZINC000571098395 823132111 /nfs/dbraw/zinc/13/21/11/823132111.db2.gz NYFVLSVVCRKCEF-KRWDZBQOSA-N 1 1 379.435 4.111 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC000571120531 823135487 /nfs/dbraw/zinc/13/54/87/823135487.db2.gz RBQLWNSWDFNFHX-XQFWAAQXSA-N 1 1 393.531 4.062 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)CCc2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000176137332 823132821 /nfs/dbraw/zinc/13/28/21/823132821.db2.gz HJYIHFJGGQKGHS-IEBWSBKVSA-N 1 1 393.556 4.398 20 0 GIADMO CN(C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459143466 823134475 /nfs/dbraw/zinc/13/44/75/823134475.db2.gz PVWFIQWONFOGNX-SKPIHXQZSA-N 1 1 375.944 4.243 20 0 GIADMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000571117082 823134737 /nfs/dbraw/zinc/13/47/37/823134737.db2.gz KAFLBKBBBMFBFR-FGZHOGPDSA-N 1 1 398.522 4.110 20 0 GIADMO C[N@@H+](CCCCNC(=O)N(Cc1c(F)cccc1F)C1CCCC1)C1CC1 ZINC000459167801 823136901 /nfs/dbraw/zinc/13/69/01/823136901.db2.gz UVKDNNLLSRHFGG-UHFFFAOYSA-N 1 1 379.495 4.293 20 0 GIADMO COC(=O)c1cc(F)ccc1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000571128774 823137036 /nfs/dbraw/zinc/13/70/36/823137036.db2.gz QCWSBAREIALLBI-UHFFFAOYSA-N 1 1 386.398 4.272 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cn1 ZINC000056374317 823139233 /nfs/dbraw/zinc/13/92/33/823139233.db2.gz RHIVXZBNKZPVRM-FQEVSTJZSA-N 1 1 397.910 4.426 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000459194269 823141590 /nfs/dbraw/zinc/14/15/90/823141590.db2.gz DRBZTNJHYZNMTH-RTWAWAEBSA-N 1 1 394.563 4.099 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1 ZINC000187829425 823141606 /nfs/dbraw/zinc/14/16/06/823141606.db2.gz HRZFGMHGSOQBGJ-MYUZEXMDSA-N 1 1 381.545 4.047 20 0 GIADMO O=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000056398447 823143164 /nfs/dbraw/zinc/14/31/64/823143164.db2.gz VPTRETNLFYBBJM-ROUUACIJSA-N 1 1 386.433 4.229 20 0 GIADMO O=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000056398447 823143167 /nfs/dbraw/zinc/14/31/67/823143167.db2.gz VPTRETNLFYBBJM-ROUUACIJSA-N 1 1 386.433 4.229 20 0 GIADMO COc1cccc(Oc2ccc(NC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)cc2)c1 ZINC000571170482 823143578 /nfs/dbraw/zinc/14/35/78/823143578.db2.gz DBVQROSQNWUBAT-INIZCTEOSA-N 1 1 377.444 4.194 20 0 GIADMO Cc1cc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1Oc1cccnc1 ZINC000121232400 823143782 /nfs/dbraw/zinc/14/37/82/823143782.db2.gz JQPCSBGJWFXMAU-GOSISDBHSA-N 1 1 382.508 4.282 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000121234787 823144291 /nfs/dbraw/zinc/14/42/91/823144291.db2.gz DWVXTRWHYMALAQ-FQEVSTJZSA-N 1 1 397.519 4.317 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000121234787 823144295 /nfs/dbraw/zinc/14/42/95/823144295.db2.gz DWVXTRWHYMALAQ-FQEVSTJZSA-N 1 1 397.519 4.317 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000121247603 823146924 /nfs/dbraw/zinc/14/69/24/823146924.db2.gz XDVNNPOEUSENMH-SFYZADRCSA-N 1 1 385.122 4.107 20 0 GIADMO C[C@@H](CCCc1cccnc1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000459221292 823146987 /nfs/dbraw/zinc/14/69/87/823146987.db2.gz SQQCHUDSNWPRHA-SFTDATJTSA-N 1 1 394.563 4.099 20 0 GIADMO CCc1c(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]c(C)c1C(C)=O ZINC000176189163 823148395 /nfs/dbraw/zinc/14/83/95/823148395.db2.gz GEVYRWDDHVBZSO-ZDUSSCGKSA-N 1 1 378.476 4.073 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000176188731 823148410 /nfs/dbraw/zinc/14/84/10/823148410.db2.gz SWBDVLMRHUQVQE-AWEZNQCLSA-N 1 1 392.484 4.291 20 0 GIADMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](C)c2cccs2)c2ccc(F)cc2)cc1 ZINC000121253904 823148480 /nfs/dbraw/zinc/14/84/80/823148480.db2.gz BGQCPQCWLKDQBI-NYHFZMIOSA-N 1 1 398.503 4.452 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000176190484 823149120 /nfs/dbraw/zinc/14/91/20/823149120.db2.gz ULQJYVRNPLHFLB-DOPJRALCSA-N 1 1 381.426 4.440 20 0 GIADMO c1cc([C@@H]2CCC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)n[nH]1 ZINC000121256965 823149251 /nfs/dbraw/zinc/14/92/51/823149251.db2.gz MQEJRKCEZZLFGF-OAQYLSRUSA-N 1 1 398.514 4.096 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000459250062 823151716 /nfs/dbraw/zinc/15/17/16/823151716.db2.gz FIETVHYVBLBLSO-INIZCTEOSA-N 1 1 379.495 4.151 20 0 GIADMO C[N@@H+](CCCO[C@H]1CCCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000571228201 823151893 /nfs/dbraw/zinc/15/18/93/823151893.db2.gz WUAKVQMOCXWHGW-AEFFLSMTSA-N 1 1 384.314 4.138 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H](Cc4ccc(F)cc4)C3)cs2)cc1 ZINC000121279412 823153662 /nfs/dbraw/zinc/15/36/62/823153662.db2.gz CDQJENHLIFALCZ-INIZCTEOSA-N 1 1 395.503 4.113 20 0 GIADMO CC(C)N(Cc1ccc(Br)cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459268214 823153994 /nfs/dbraw/zinc/15/39/94/823153994.db2.gz RTVYDMQSTKTJJN-INIZCTEOSA-N 1 1 396.373 4.101 20 0 GIADMO O=C(NC(C1CC1)C1CC1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000056458898 823154256 /nfs/dbraw/zinc/15/42/56/823154256.db2.gz LHZNLEQDAZAZSI-UHFFFAOYSA-N 1 1 395.469 4.158 20 0 GIADMO CC(=O)NC[C@@H]1CCC[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000459287686 823156508 /nfs/dbraw/zinc/15/65/08/823156508.db2.gz ZMJLKPLWXCNQRM-IRIZWXGVSA-N 1 1 378.516 4.127 20 0 GIADMO CCCC[C@H]([NH2+][C@H](C)c1nccnc1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000187914844 823157329 /nfs/dbraw/zinc/15/73/29/823157329.db2.gz FEIVHUQQTBLNDH-NQIIRXRSSA-N 1 1 395.551 4.233 20 0 GIADMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522159 823161632 /nfs/dbraw/zinc/16/16/32/823161632.db2.gz LDNSQUJOLRTCIU-AWEZNQCLSA-N 1 1 396.457 4.480 20 0 GIADMO CCOc1cc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)ccc1O ZINC000459322733 823161237 /nfs/dbraw/zinc/16/12/37/823161237.db2.gz HWPYEHBIDGZEIG-UHFFFAOYSA-N 1 1 375.415 4.164 20 0 GIADMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCc3ncc(C(C)(C)C)o3)cc2)C1 ZINC000571294083 823161285 /nfs/dbraw/zinc/16/12/85/823161285.db2.gz ZVWAAPWGSRZQES-KRWDZBQOSA-N 1 1 399.535 4.264 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cncc(C(F)(F)F)c2)CC1 ZINC000571272435 823159024 /nfs/dbraw/zinc/15/90/24/823159024.db2.gz HJWLWRPROBCEBC-OAHLLOKOSA-N 1 1 383.458 4.217 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CCO1 ZINC000459319565 823160690 /nfs/dbraw/zinc/16/06/90/823160690.db2.gz XBMMHCFYDAFGKE-GOSISDBHSA-N 1 1 388.515 4.077 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000459325427 823161703 /nfs/dbraw/zinc/16/17/03/823161703.db2.gz LSKRWACFOGTITF-ZDUSSCGKSA-N 1 1 387.749 4.087 20 0 GIADMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000459325427 823161706 /nfs/dbraw/zinc/16/17/06/823161706.db2.gz LSKRWACFOGTITF-ZDUSSCGKSA-N 1 1 387.749 4.087 20 0 GIADMO O=C(Nc1cccc(Cl)c1Cl)N1CC[NH+](CCc2cccs2)CC1 ZINC000056525305 823161928 /nfs/dbraw/zinc/16/19/28/823161928.db2.gz OIBLWKVOAIMHHE-UHFFFAOYSA-N 1 1 384.332 4.447 20 0 GIADMO Cc1nc(-c2cccc(C(=O)N3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)c2)cs1 ZINC000571306876 823163064 /nfs/dbraw/zinc/16/30/64/823163064.db2.gz SZZITWIWBFNMKF-OAQYLSRUSA-N 1 1 391.540 4.117 20 0 GIADMO Cc1nc(-c2cccc(C(=O)N3CC[N@H+](C)[C@H](Cc4ccccc4)C3)c2)cs1 ZINC000571306876 823163072 /nfs/dbraw/zinc/16/30/72/823163072.db2.gz SZZITWIWBFNMKF-OAQYLSRUSA-N 1 1 391.540 4.117 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000571305881 823163084 /nfs/dbraw/zinc/16/30/84/823163084.db2.gz USVXNUWCIUUEBQ-WOJBJXKFSA-N 1 1 399.560 4.278 20 0 GIADMO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000121324180 823163484 /nfs/dbraw/zinc/16/34/84/823163484.db2.gz FNCXWCKRNPLLQS-QZTJIDSGSA-N 1 1 386.609 4.043 20 0 GIADMO C[C@@H](O)C[N@@H+](C)C1CCN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459341413 823165236 /nfs/dbraw/zinc/16/52/36/823165236.db2.gz WFDAXRYMRIACQZ-DFOOEPSASA-N 1 1 394.559 4.056 20 0 GIADMO C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(-c3ccccc3)on2)[C@@H]1c1ccc(Cl)cc1 ZINC000121337936 823165933 /nfs/dbraw/zinc/16/59/33/823165933.db2.gz QQMZFZBVKAAVJO-KNQAVFIVSA-N 1 1 395.890 4.099 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Cc2cc(-c3ccccc3)on2)[C@@H]1c1ccc(Cl)cc1 ZINC000121337936 823165935 /nfs/dbraw/zinc/16/59/35/823165935.db2.gz QQMZFZBVKAAVJO-KNQAVFIVSA-N 1 1 395.890 4.099 20 0 GIADMO C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000571339290 823167630 /nfs/dbraw/zinc/16/76/30/823167630.db2.gz NHCAFJTXNWRUKA-INYBSHKGSA-N 1 1 394.506 4.265 20 0 GIADMO CCC[N@H+]1CCCC[C@H]1C(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000121365554 823171189 /nfs/dbraw/zinc/17/11/89/823171189.db2.gz HCDXVUFJYBJFDI-KRWDZBQOSA-N 1 1 375.900 4.184 20 0 GIADMO CCN(CC)Cc1nc(C2([NH2+]CCc3ccc(F)cc3Cl)CCCC2)no1 ZINC000571370043 823172942 /nfs/dbraw/zinc/17/29/42/823172942.db2.gz RHIMAYAIGKWUMN-UHFFFAOYSA-N 1 1 394.922 4.306 20 0 GIADMO CC(=O)Nc1ccc2c(C[N@@H+]3C[C@H](c4ccc(F)cc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000121385068 823174939 /nfs/dbraw/zinc/17/49/39/823174939.db2.gz BWNXDUSQFCQZRA-WMLDXEAASA-N 1 1 394.446 4.269 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CSc4ccccc43)c2)C[C@@H](C)O1 ZINC000121391630 823176018 /nfs/dbraw/zinc/17/60/18/823176018.db2.gz LEIDGVIXSPAGLI-JXXFODFXSA-N 1 1 382.529 4.124 20 0 GIADMO Fc1ccc2nc([C@H]3CCC[N@H+]([C@H]4CCN(Cc5ccccc5)C4)C3)oc2c1 ZINC000459377698 823176848 /nfs/dbraw/zinc/17/68/48/823176848.db2.gz PWSYCFSZSKWJRY-ICSRJNTNSA-N 1 1 379.479 4.421 20 0 GIADMO Fc1ccc2nc([C@H]3CCCN([C@H]4CC[N@H+](Cc5ccccc5)C4)C3)oc2c1 ZINC000459377698 823176851 /nfs/dbraw/zinc/17/68/51/823176851.db2.gz PWSYCFSZSKWJRY-ICSRJNTNSA-N 1 1 379.479 4.421 20 0 GIADMO Fc1ccc2nc([C@H]3CCCN([C@H]4CC[N@@H+](Cc5ccccc5)C4)C3)oc2c1 ZINC000459377698 823176853 /nfs/dbraw/zinc/17/68/53/823176853.db2.gz PWSYCFSZSKWJRY-ICSRJNTNSA-N 1 1 379.479 4.421 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)nc1 ZINC000411768817 823603701 /nfs/dbraw/zinc/60/37/01/823603701.db2.gz SBQAIVRYFYTESR-NSHDSACASA-N 1 1 381.245 4.011 20 0 GIADMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC000176310257 823178771 /nfs/dbraw/zinc/17/87/71/823178771.db2.gz FEGRWFHRYXMOGX-QGZVFWFLSA-N 1 1 387.549 4.032 20 0 GIADMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC000176310257 823178774 /nfs/dbraw/zinc/17/87/74/823178774.db2.gz FEGRWFHRYXMOGX-QGZVFWFLSA-N 1 1 387.549 4.032 20 0 GIADMO CCOC(=O)c1noc(C[N@@H+](C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000459397771 823183075 /nfs/dbraw/zinc/18/30/75/823183075.db2.gz JTOAGAWGKRGOIR-GJZGRUSLSA-N 1 1 397.397 4.033 20 0 GIADMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000176316345 823180541 /nfs/dbraw/zinc/18/05/41/823180541.db2.gz HAGCGEJUFVGGMS-HKUYNNGSSA-N 1 1 387.524 4.043 20 0 GIADMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000176316345 823180543 /nfs/dbraw/zinc/18/05/43/823180543.db2.gz HAGCGEJUFVGGMS-HKUYNNGSSA-N 1 1 387.524 4.043 20 0 GIADMO O=c1cc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)nc(C2CC2)[nH]1 ZINC000459388452 823180632 /nfs/dbraw/zinc/18/06/32/823180632.db2.gz FRCVQPHHSYXCEW-IBGZPJMESA-N 1 1 379.435 4.109 20 0 GIADMO FC(F)(F)c1cc([C@@H]2C[N@H+](CCc3cn[nH]c3)CCO2)cc(C(F)(F)F)c1 ZINC000459399180 823183519 /nfs/dbraw/zinc/18/35/19/823183519.db2.gz APNIOTMQTWLRCP-HNNXBMFYSA-N 1 1 393.331 4.063 20 0 GIADMO FC(F)(F)c1cc([C@@H]2C[N@@H+](CCc3cn[nH]c3)CCO2)cc(C(F)(F)F)c1 ZINC000459399180 823183524 /nfs/dbraw/zinc/18/35/24/823183524.db2.gz APNIOTMQTWLRCP-HNNXBMFYSA-N 1 1 393.331 4.063 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000176332019 823184427 /nfs/dbraw/zinc/18/44/27/823184427.db2.gz NPUUGUJAIKKKRP-OALUTQOASA-N 1 1 380.536 4.229 20 0 GIADMO C[C@H]1C[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CCC1(F)F ZINC000571450945 823184566 /nfs/dbraw/zinc/18/45/66/823184566.db2.gz HYTOIKHPOYOKMF-ZDUSSCGKSA-N 1 1 390.396 4.174 20 0 GIADMO C[C@H]1C[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CCC1(F)F ZINC000571450945 823184569 /nfs/dbraw/zinc/18/45/69/823184569.db2.gz HYTOIKHPOYOKMF-ZDUSSCGKSA-N 1 1 390.396 4.174 20 0 GIADMO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc([C@H](C)OC)n2)[C@H]1Sc1ccccc1 ZINC000459418615 823188625 /nfs/dbraw/zinc/18/86/25/823188625.db2.gz DKDHNQKHZJBHNP-OKDNKWQNSA-N 1 1 378.563 4.278 20 0 GIADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3(c4cccc(F)c4)CC3)c2)C[C@@H](C)O1 ZINC000121438616 823184714 /nfs/dbraw/zinc/18/47/14/823184714.db2.gz PWCCZHSNGPOBHF-IAGOWNOFSA-N 1 1 382.479 4.105 20 0 GIADMO C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000459402858 823185155 /nfs/dbraw/zinc/18/51/55/823185155.db2.gz NVDMDQIUFYXBEA-LEWJYISDSA-N 1 1 393.462 4.340 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000176336147 823185560 /nfs/dbraw/zinc/18/55/60/823185560.db2.gz YLDSJJFSKHYXFO-HKUYNNGSSA-N 1 1 386.565 4.066 20 0 GIADMO CC(C)n1cnnc1-c1ccccc1NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000176339608 823186692 /nfs/dbraw/zinc/18/66/92/823186692.db2.gz HGRUXVYHGBMKSO-KRWDZBQOSA-N 1 1 398.555 4.158 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000121455184 823187839 /nfs/dbraw/zinc/18/78/39/823187839.db2.gz RCAIRIYEPHLRBL-ZDUSSCGKSA-N 1 1 383.323 4.334 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000176349654 823189345 /nfs/dbraw/zinc/18/93/45/823189345.db2.gz LHIKZWGHNTXNRI-RXVVDRJESA-N 1 1 391.515 4.444 20 0 GIADMO COc1ccc(OC(F)F)c(C[NH2+]Cc2c(C)nc3scc(C4CC4)n23)c1 ZINC000459431378 823190873 /nfs/dbraw/zinc/19/08/73/823190873.db2.gz FCURXXXMSIGBOD-UHFFFAOYSA-N 1 1 393.459 4.481 20 0 GIADMO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3nc(C(C)C)nc32)[C@H]1Sc1ccccc1 ZINC000459439062 823192374 /nfs/dbraw/zinc/19/23/74/823192374.db2.gz VLKKNSKTSWLMKU-NCXUSEDFSA-N 1 1 386.565 4.164 20 0 GIADMO C[C@@H](NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1)c1ccc2ccccc2c1 ZINC000571509154 823194047 /nfs/dbraw/zinc/19/40/47/823194047.db2.gz YXGURBSWJPTGKT-GOSISDBHSA-N 1 1 391.490 4.373 20 0 GIADMO Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459453068 823195256 /nfs/dbraw/zinc/19/52/56/823195256.db2.gz ZZWFFVICRCVUOV-HOTGVXAUSA-N 1 1 375.504 4.121 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1F ZINC000056702969 823196118 /nfs/dbraw/zinc/19/61/18/823196118.db2.gz NOUOKXNGIINVIO-UHFFFAOYSA-N 1 1 389.446 4.103 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1F ZINC000056702969 823196122 /nfs/dbraw/zinc/19/61/22/823196122.db2.gz NOUOKXNGIINVIO-UHFFFAOYSA-N 1 1 389.446 4.103 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ncoc3-c3ccccc3)c2)C[C@H](C)O1 ZINC000121504687 823196272 /nfs/dbraw/zinc/19/62/72/823196272.db2.gz SLUAYASHCBKFHG-CALCHBBNSA-N 1 1 391.471 4.203 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ncoc3-c3ccccc3)c2)C[C@H](C)O1 ZINC000121504687 823196275 /nfs/dbraw/zinc/19/62/75/823196275.db2.gz SLUAYASHCBKFHG-CALCHBBNSA-N 1 1 391.471 4.203 20 0 GIADMO CC[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1c(C)noc1C ZINC000121507941 823196902 /nfs/dbraw/zinc/19/69/02/823196902.db2.gz UXMFOHTZKIWEKR-QEEYODRMSA-N 1 1 385.508 4.033 20 0 GIADMO CC[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1c(C)noc1C ZINC000121507941 823196903 /nfs/dbraw/zinc/19/69/03/823196903.db2.gz UXMFOHTZKIWEKR-QEEYODRMSA-N 1 1 385.508 4.033 20 0 GIADMO CCOCc1ccccc1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000121515526 823198130 /nfs/dbraw/zinc/19/81/30/823198130.db2.gz VWSMKBWGUCAEEZ-KRWDZBQOSA-N 1 1 392.503 4.278 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1)CC(F)(F)F ZINC000176395671 823198384 /nfs/dbraw/zinc/19/83/84/823198384.db2.gz NGSJHQWBIVGQFZ-AWEZNQCLSA-N 1 1 385.405 4.187 20 0 GIADMO CC(C)c1cc(Br)ccc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459468347 823198536 /nfs/dbraw/zinc/19/85/36/823198536.db2.gz TVZHSRYJSSGTRB-AWEZNQCLSA-N 1 1 382.346 4.426 20 0 GIADMO C[C@@H]1CN(C(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)CC[N@H+](C2CCC2)C1 ZINC000571546027 823198832 /nfs/dbraw/zinc/19/88/32/823198832.db2.gz VNHCAWVJQPMGGE-HMSXATMWSA-N 1 1 398.513 4.468 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1)CC(F)(F)F ZINC000176398256 823199368 /nfs/dbraw/zinc/19/93/68/823199368.db2.gz GBBSZPYBMZLNSP-INIZCTEOSA-N 1 1 396.453 4.116 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2nc(-c3cccs3)oc2C)C1)CC(F)(F)F ZINC000176400795 823200017 /nfs/dbraw/zinc/20/00/17/823200017.db2.gz RHDNAWPHMJHPEN-AWEZNQCLSA-N 1 1 387.471 4.418 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1)CC(F)(F)F ZINC000176401224 823200278 /nfs/dbraw/zinc/20/02/78/823200278.db2.gz XMBSBKWVPVYKMQ-AWEZNQCLSA-N 1 1 385.405 4.187 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cncc4ccccc43)c2)C[C@H](C)O1 ZINC000121526813 823200276 /nfs/dbraw/zinc/20/02/76/823200276.db2.gz BWWMNUDRVDYWQY-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cncc4ccccc43)c2)C[C@H](C)O1 ZINC000121526813 823200279 /nfs/dbraw/zinc/20/02/79/823200279.db2.gz BWWMNUDRVDYWQY-CALCHBBNSA-N 1 1 375.472 4.096 20 0 GIADMO c1c(C[N@H+]2CCC[C@H]2C2CCOCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459475822 823200359 /nfs/dbraw/zinc/20/03/59/823200359.db2.gz XDFZIAFRECVSKG-QFIPXVFZSA-N 1 1 380.536 4.451 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)c2ncc[nH]2)cc1 ZINC000188186754 823200408 /nfs/dbraw/zinc/20/04/08/823200408.db2.gz UHXKAUAZSQICBJ-GOSISDBHSA-N 1 1 397.841 4.174 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000459476236 823200607 /nfs/dbraw/zinc/20/06/07/823200607.db2.gz HGIDTZWHFZODMS-HNNXBMFYSA-N 1 1 375.538 4.135 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000459476236 823200609 /nfs/dbraw/zinc/20/06/09/823200609.db2.gz HGIDTZWHFZODMS-HNNXBMFYSA-N 1 1 375.538 4.135 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000056729706 823201694 /nfs/dbraw/zinc/20/16/94/823201694.db2.gz VOTXWMVZXOWWFY-MRXNPFEDSA-N 1 1 387.474 4.085 20 0 GIADMO O=C(CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)Nc1ccc(Br)cc1 ZINC000571569785 823201768 /nfs/dbraw/zinc/20/17/68/823201768.db2.gz PGLZJQOEPDVEFG-OAHLLOKOSA-N 1 1 391.284 4.406 20 0 GIADMO C[NH+](C)CC1(CNCc2cn(C3CCCC3)nc2-c2ccccn2)CCCC1 ZINC000459484615 823201937 /nfs/dbraw/zinc/20/19/37/823201937.db2.gz UGAZJEVSKHKHMA-UHFFFAOYSA-N 1 1 381.568 4.272 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459503593 823206049 /nfs/dbraw/zinc/20/60/49/823206049.db2.gz HWFDURFFLBMFDZ-UHFFFAOYSA-N 1 1 392.543 4.487 20 0 GIADMO COc1ccc(F)c(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1OC ZINC000188237759 823207668 /nfs/dbraw/zinc/20/76/68/823207668.db2.gz PPZKKSJFHSTTLM-HNNXBMFYSA-N 1 1 386.467 4.327 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459519432 823209839 /nfs/dbraw/zinc/20/98/39/823209839.db2.gz JYNYVCGNYSRJFD-INIZCTEOSA-N 1 1 384.907 4.231 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)c3ccc(Cl)s3)CC2)oc1C ZINC000176462919 823212850 /nfs/dbraw/zinc/21/28/50/823212850.db2.gz GUCVHEMOTXLRGE-GFCCVEGCSA-N 1 1 395.956 4.138 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)c3ccc(Cl)s3)CC2)oc1C ZINC000176462903 823213027 /nfs/dbraw/zinc/21/30/27/823213027.db2.gz GUCVHEMOTXLRGE-LBPRGKRZSA-N 1 1 395.956 4.138 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)c3cc(Cl)ccc3OC(F)F)CC2)[nH+]c1 ZINC000176465501 823213465 /nfs/dbraw/zinc/21/34/65/823213465.db2.gz GEPFVVDXNOOFAZ-UHFFFAOYSA-N 1 1 395.837 4.044 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)c3nc(C(C)(C)C)no3)C2)s1 ZINC000571645826 823213805 /nfs/dbraw/zinc/21/38/05/823213805.db2.gz ISQWZPRFVUDXOA-JKSUJKDBSA-N 1 1 376.570 4.252 20 0 GIADMO CC1(C)C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c2cc(N)ccc2O1 ZINC000571679863 823217969 /nfs/dbraw/zinc/21/79/69/823217969.db2.gz XKFFOHHVDMYQCE-NHCUHLMSSA-N 1 1 393.531 4.042 20 0 GIADMO CCOC1CC2(C1)CC[N@@H+](Cc1cn(C3CCCC3)nc1-c1ccccn1)C2 ZINC000459537841 823215040 /nfs/dbraw/zinc/21/50/40/823215040.db2.gz NKOHDVDVEWWIAO-UHFFFAOYSA-N 1 1 380.536 4.451 20 0 GIADMO CCc1oc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cc1C(=O)OC ZINC000571660783 823215434 /nfs/dbraw/zinc/21/54/34/823215434.db2.gz MTNYPNBBPLDQOZ-MRXNPFEDSA-N 1 1 394.471 4.453 20 0 GIADMO CCOc1cc(C[N@H+](Cc2cccnc2)C2CC2)cc(Br)c1O ZINC000459551325 823218194 /nfs/dbraw/zinc/21/81/94/823218194.db2.gz NLNKNDGFVQAFLI-UHFFFAOYSA-N 1 1 377.282 4.113 20 0 GIADMO CCOc1cc(C[N@@H+](Cc2cccnc2)C2CC2)cc(Br)c1O ZINC000459551325 823218201 /nfs/dbraw/zinc/21/82/01/823218201.db2.gz NLNKNDGFVQAFLI-UHFFFAOYSA-N 1 1 377.282 4.113 20 0 GIADMO CC(C)c1csc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000571690937 823219655 /nfs/dbraw/zinc/21/96/55/823219655.db2.gz PTJURCLIJFAWTD-MSOLQXFVSA-N 1 1 384.549 4.252 20 0 GIADMO CCO[C@@H]1C[C@@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)[C@H]1Sc1ccccc1 ZINC000459561253 823220646 /nfs/dbraw/zinc/22/06/46/823220646.db2.gz RHPDMYHWCKFLRD-MLDBQTBOSA-N 1 1 398.572 4.003 20 0 GIADMO c1c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459568090 823222279 /nfs/dbraw/zinc/22/22/79/823222279.db2.gz KJEAFIOIKFKTPO-XZOQPEGZSA-N 1 1 378.520 4.204 20 0 GIADMO c1c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459568090 823222285 /nfs/dbraw/zinc/22/22/85/823222285.db2.gz KJEAFIOIKFKTPO-XZOQPEGZSA-N 1 1 378.520 4.204 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cnc3onc(C(C)(C)C)c3c2)C1 ZINC000409453923 823222437 /nfs/dbraw/zinc/22/24/37/823222437.db2.gz BRZNHOATPOVSNL-CRAIPNDOSA-N 1 1 392.503 4.086 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000176500900 823222602 /nfs/dbraw/zinc/22/26/02/823222602.db2.gz UGHATTUXIGXVGR-BBWFWOEESA-N 1 1 385.508 4.079 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000121654470 823223539 /nfs/dbraw/zinc/22/35/39/823223539.db2.gz SMQLLCABMLGZNQ-LSDHHAIUSA-N 1 1 378.542 4.173 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCOc2cc(C)cc(C)c2)cc1F ZINC000409458042 823223554 /nfs/dbraw/zinc/22/35/54/823223554.db2.gz RQUORCIQVKEYOT-UHFFFAOYSA-N 1 1 381.451 4.022 20 0 GIADMO CCCN(C(=O)c1ccnc2ccncc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188348482 823223623 /nfs/dbraw/zinc/22/36/23/823223623.db2.gz MXXBRHOSCKVJEC-HXUWFJFHSA-N 1 1 388.515 4.147 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)c2ccccc2Br)C1 ZINC000409462639 823225221 /nfs/dbraw/zinc/22/52/21/823225221.db2.gz HDAYHZFVJGYCBR-INIZCTEOSA-N 1 1 395.385 4.355 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1)Nc1ccccc1F ZINC000459585994 823225364 /nfs/dbraw/zinc/22/53/64/823225364.db2.gz DNJJOPXYKISEMA-KRWDZBQOSA-N 1 1 392.272 4.149 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1)Nc1ccccc1F ZINC000459585994 823225371 /nfs/dbraw/zinc/22/53/71/823225371.db2.gz DNJJOPXYKISEMA-KRWDZBQOSA-N 1 1 392.272 4.149 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000056866511 823225553 /nfs/dbraw/zinc/22/55/53/823225553.db2.gz FZFIOUFNRLMFLD-HNNXBMFYSA-N 1 1 383.483 4.111 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000056866512 823225616 /nfs/dbraw/zinc/22/56/16/823225616.db2.gz FZFIOUFNRLMFLD-OAHLLOKOSA-N 1 1 383.483 4.111 20 0 GIADMO C[C@H]([NH2+]CC(=O)NCCC(c1ccccc1)c1ccccc1)c1cncc(F)c1 ZINC000459621812 823230924 /nfs/dbraw/zinc/23/09/24/823230924.db2.gz MAKUSYRPMPHXGN-SFHVURJKSA-N 1 1 391.490 4.210 20 0 GIADMO CC1(CO)C[NH+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000459625101 823231696 /nfs/dbraw/zinc/23/16/96/823231696.db2.gz WSEUXUVCEZABSY-UHFFFAOYSA-N 1 1 387.483 4.159 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1nc2c(s1)CCC2 ZINC000459630210 823232686 /nfs/dbraw/zinc/23/26/86/823232686.db2.gz ALLHFQFFLGPEBI-LLVKDONJSA-N 1 1 398.359 4.248 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 ZINC000571779069 823233233 /nfs/dbraw/zinc/23/32/33/823233233.db2.gz GEFUIYMAGJNSHB-SJORKVTESA-N 1 1 389.506 4.119 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1cccc(Br)c1 ZINC000459633062 823233383 /nfs/dbraw/zinc/23/33/83/823233383.db2.gz KFVZRKICWPUHRI-QWRGUYRKSA-N 1 1 394.338 4.072 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000459633105 823233482 /nfs/dbraw/zinc/23/34/82/823233482.db2.gz KLSOOPMGMLBCJE-GHMZBOCLSA-N 1 1 383.439 4.328 20 0 GIADMO Clc1cccc(-c2nnc(C[N@H+]3C[C@H](c4ccccc4)[C@H]4COCC[C@@H]43)o2)c1 ZINC000571785182 823233907 /nfs/dbraw/zinc/23/39/07/823233907.db2.gz IODBZNZAVSKCRY-AQNXPRMDSA-N 1 1 395.890 4.395 20 0 GIADMO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1SC ZINC000459646365 823237437 /nfs/dbraw/zinc/23/74/37/823237437.db2.gz BOSSVZAATUZQHF-SFHVURJKSA-N 1 1 399.560 4.103 20 0 GIADMO C[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1)c1nc2c(s1)CCC2 ZINC000459640252 823235497 /nfs/dbraw/zinc/23/54/97/823235497.db2.gz PRWATKXWGJANBR-XOBRGWDASA-N 1 1 397.569 4.250 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1)c1nc2c(s1)CCC2 ZINC000459640246 823235690 /nfs/dbraw/zinc/23/56/90/823235690.db2.gz PRWATKXWGJANBR-JLTOFOAXSA-N 1 1 397.569 4.250 20 0 GIADMO CC[C@@H](NC(=O)C[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000459642709 823235914 /nfs/dbraw/zinc/23/59/14/823235914.db2.gz ZMONUWDFYWCCSA-SWLSCSKDSA-N 1 1 377.941 4.203 20 0 GIADMO CC[C@H](NC(=O)C[NH2+][C@H](C)c1nc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000459642707 823236013 /nfs/dbraw/zinc/23/60/13/823236013.db2.gz ZMONUWDFYWCCSA-DOMZBBRYSA-N 1 1 377.941 4.203 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)CC12CCOCC2 ZINC000459642918 823236282 /nfs/dbraw/zinc/23/62/82/823236282.db2.gz CCZZBNCRSSJIQI-IBGZPJMESA-N 1 1 383.454 4.235 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000056984460 823237739 /nfs/dbraw/zinc/23/77/39/823237739.db2.gz FYJNBXFOTMFHHW-LBPRGKRZSA-N 1 1 386.348 4.184 20 0 GIADMO CC[C@@H](C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000571812907 823238502 /nfs/dbraw/zinc/23/85/02/823238502.db2.gz SIJCOVRHPKLQMT-FQEVSTJZSA-N 1 1 381.520 4.064 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)CC12CCOCC2 ZINC000459651645 823239495 /nfs/dbraw/zinc/23/94/95/823239495.db2.gz PQSOZELLRKOTFK-HNNXBMFYSA-N 1 1 399.482 4.454 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459654335 823240531 /nfs/dbraw/zinc/24/05/31/823240531.db2.gz FEHMVKDEBGDEMK-KRWDZBQOSA-N 1 1 398.469 4.231 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459654335 823240533 /nfs/dbraw/zinc/24/05/33/823240533.db2.gz FEHMVKDEBGDEMK-KRWDZBQOSA-N 1 1 398.469 4.231 20 0 GIADMO CC(C)c1nnc(CCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)o1 ZINC000176582780 823241749 /nfs/dbraw/zinc/24/17/49/823241749.db2.gz OLCFPXWWMODQCV-UHFFFAOYSA-N 1 1 381.480 4.133 20 0 GIADMO COc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1SC ZINC000459657154 823241845 /nfs/dbraw/zinc/24/18/45/823241845.db2.gz FGJPNGOVWXNHIV-QAPCUYQASA-N 1 1 385.533 4.059 20 0 GIADMO COc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000571835192 823241851 /nfs/dbraw/zinc/24/18/51/823241851.db2.gz LRWYMPFZSUIFBR-GCJKJVERSA-N 1 1 381.520 4.062 20 0 GIADMO CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459656761 823241868 /nfs/dbraw/zinc/24/18/68/823241868.db2.gz HUZPQOGSURSYNJ-OAHLLOKOSA-N 1 1 379.463 4.037 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)CC12CCOCC2 ZINC000459657426 823242191 /nfs/dbraw/zinc/24/21/91/823242191.db2.gz WVKAVEZDTPUSLR-IBGZPJMESA-N 1 1 394.437 4.446 20 0 GIADMO COc1ccc(CCCCC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000057040477 823242313 /nfs/dbraw/zinc/24/23/13/823242313.db2.gz ZSANHJOARQWBLS-UHFFFAOYSA-N 1 1 380.532 4.143 20 0 GIADMO Cc1cnn([C@H]2CC[N@@H+](Cc3c(C)nn(Cc4ccc(Cl)cc4)c3C)C2)c1 ZINC000571843831 823244041 /nfs/dbraw/zinc/24/40/41/823244041.db2.gz NPOKVXHJMOGOQJ-FQEVSTJZSA-N 1 1 383.927 4.154 20 0 GIADMO COc1ccc(-c2noc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)n2)cc1 ZINC000121759081 823244843 /nfs/dbraw/zinc/24/48/43/823244843.db2.gz HLKIXLXFLLWYHJ-HKUYNNGSSA-N 1 1 397.475 4.207 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459664785 823244924 /nfs/dbraw/zinc/24/49/24/823244924.db2.gz PZZMNIMRFKHCPR-MAUKXSAKSA-N 1 1 398.469 4.257 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459664785 823244930 /nfs/dbraw/zinc/24/49/30/823244930.db2.gz PZZMNIMRFKHCPR-MAUKXSAKSA-N 1 1 398.469 4.257 20 0 GIADMO Cc1sc(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1C(C)C ZINC000571849498 823245313 /nfs/dbraw/zinc/24/53/13/823245313.db2.gz TXJOTRYLDMWFKM-FUHWJXTLSA-N 1 1 377.598 4.230 20 0 GIADMO CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121765649 823245906 /nfs/dbraw/zinc/24/59/06/823245906.db2.gz HQGNVZUMTMXGCO-HKUYNNGSSA-N 1 1 394.519 4.295 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)CC12CCOCC2 ZINC000459667850 823246108 /nfs/dbraw/zinc/24/61/08/823246108.db2.gz SKEWPQKUPWOMIV-INIZCTEOSA-N 1 1 397.466 4.386 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)CC12CCOCC2 ZINC000459667850 823246112 /nfs/dbraw/zinc/24/61/12/823246112.db2.gz SKEWPQKUPWOMIV-INIZCTEOSA-N 1 1 397.466 4.386 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](CCCOCCc2ccccc2)CC12CCOCC2 ZINC000459668844 823246313 /nfs/dbraw/zinc/24/63/13/823246313.db2.gz UKQRRZSKBIMIGS-IBGZPJMESA-N 1 1 385.470 4.317 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)CC12CCOCC2 ZINC000459674722 823247917 /nfs/dbraw/zinc/24/79/17/823247917.db2.gz ZZTDKHJAXWQKBF-GOSISDBHSA-N 1 1 379.426 4.053 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674715 823247970 /nfs/dbraw/zinc/24/79/70/823247970.db2.gz ZXJNWPVUOKGODQ-SJORKVTESA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459674715 823247973 /nfs/dbraw/zinc/24/79/73/823247973.db2.gz ZXJNWPVUOKGODQ-SJORKVTESA-N 1 1 398.469 4.311 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@@H]1O ZINC000459678688 823248924 /nfs/dbraw/zinc/24/89/24/823248924.db2.gz BHQBUOWUXVAMJQ-HIFRSBDPSA-N 1 1 386.286 4.013 20 0 GIADMO CCCOc1ccc(-c2nc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cs2)cc1 ZINC000409574776 823252534 /nfs/dbraw/zinc/25/25/34/823252534.db2.gz JGGJUCPLJRLTBB-SFHVURJKSA-N 1 1 399.516 4.225 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCC(C(F)(F)F)CC1 ZINC000176621512 823250939 /nfs/dbraw/zinc/25/09/39/823250939.db2.gz MSXXLZMZWDEEOX-YQQQUEKLSA-N 1 1 395.469 4.166 20 0 GIADMO Cc1nnc(C[NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)n1C1CC1 ZINC000571900490 823251456 /nfs/dbraw/zinc/25/14/56/823251456.db2.gz HSFFUQWVPCZIPM-UHFFFAOYSA-N 1 1 380.414 4.200 20 0 GIADMO Brc1ccc(-c2cnc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)o2)cc1 ZINC000459703800 823253414 /nfs/dbraw/zinc/25/34/14/823253414.db2.gz HHVQUFJGZWTRSD-HOTGVXAUSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccc(-c2cnc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)o2)cc1 ZINC000459703800 823253422 /nfs/dbraw/zinc/25/34/22/823253422.db2.gz HHVQUFJGZWTRSD-HOTGVXAUSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccc(-c2cnc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)o2)cc1 ZINC000459703799 823253525 /nfs/dbraw/zinc/25/35/25/823253525.db2.gz HHVQUFJGZWTRSD-CVEARBPZSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccc(-c2cnc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)o2)cc1 ZINC000459703799 823253531 /nfs/dbraw/zinc/25/35/31/823253531.db2.gz HHVQUFJGZWTRSD-CVEARBPZSA-N 1 1 389.293 4.105 20 0 GIADMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)o1 ZINC000571916117 823253632 /nfs/dbraw/zinc/25/36/32/823253632.db2.gz RGDHHPDJSOCSEL-QZTJIDSGSA-N 1 1 394.475 4.091 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057141157 823254224 /nfs/dbraw/zinc/25/42/24/823254224.db2.gz NWRZYVAOVXSRSS-OAQYLSRUSA-N 1 1 388.515 4.340 20 0 GIADMO Cc1ccc2[nH+]cc(C(=O)[O-])c(N3CC[NH+]([C@H](C)c4cccc(F)c4)CC3)c2c1 ZINC000571925912 823255195 /nfs/dbraw/zinc/25/51/95/823255195.db2.gz FUXFZSCETSODDU-MRXNPFEDSA-N 1 1 393.462 4.264 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)[C@@H]1O ZINC000459711533 823255213 /nfs/dbraw/zinc/25/52/13/823255213.db2.gz SSPSNGZAWDGWTP-HIFRSBDPSA-N 1 1 375.387 4.269 20 0 GIADMO Cc1cc(Br)c(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)s1 ZINC000459716573 823255830 /nfs/dbraw/zinc/25/58/30/823255830.db2.gz WJTLKKALYSMAAG-GXTWGEPZSA-N 1 1 388.352 4.243 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000571929681 823256003 /nfs/dbraw/zinc/25/60/03/823256003.db2.gz MGRSXAQLHRCVIC-WMZHIEFXSA-N 1 1 396.556 4.054 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000571929387 823256010 /nfs/dbraw/zinc/25/60/10/823256010.db2.gz HGDLCHNBWBECGY-CYBMUJFWSA-N 1 1 375.435 4.178 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)o1 ZINC000459729911 823257993 /nfs/dbraw/zinc/25/79/93/823257993.db2.gz SDFHEPXSCDAWOI-HOCLYGCPSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)o1 ZINC000459729911 823258000 /nfs/dbraw/zinc/25/80/00/823258000.db2.gz SDFHEPXSCDAWOI-HOCLYGCPSA-N 1 1 389.293 4.105 20 0 GIADMO Cc1ccc(NC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(Cl)c1 ZINC000409590917 823256233 /nfs/dbraw/zinc/25/62/33/823256233.db2.gz JYEVJFQZUFEILJ-MRXNPFEDSA-N 1 1 387.911 4.191 20 0 GIADMO Cc1ccc(NC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(Cl)c1 ZINC000409590917 823256236 /nfs/dbraw/zinc/25/62/36/823256236.db2.gz JYEVJFQZUFEILJ-MRXNPFEDSA-N 1 1 387.911 4.191 20 0 GIADMO Cc1cc(CNC(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000571933929 823256862 /nfs/dbraw/zinc/25/68/62/823256862.db2.gz DQFWIGUEIUGTMZ-UGKGYDQZSA-N 1 1 392.547 4.468 20 0 GIADMO CCc1cc(C[NH2+]Cc2cc(Br)c(C)c(Br)c2)on1 ZINC000571944963 823258271 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Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000572446517 823340660 /nfs/dbraw/zinc/34/06/60/823340660.db2.gz YNFGUIHRRUYAHN-ADLMAVQZSA-N 1 1 395.334 4.412 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ncc(-c2ccccc2)n1C ZINC000572474552 823346634 /nfs/dbraw/zinc/34/66/34/823346634.db2.gz ISEPPWGJMVTPPS-CQSZACIVSA-N 1 1 390.409 4.274 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000572509387 823351832 /nfs/dbraw/zinc/35/18/32/823351832.db2.gz HQVFYEWLUOKXIQ-IBGZPJMESA-N 1 1 379.548 4.030 20 0 GIADMO COc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000057974273 823351938 /nfs/dbraw/zinc/35/19/38/823351938.db2.gz PDJZDQCQJKKBQC-XUZZJYLKSA-N 1 1 397.515 4.255 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000057993511 823353895 /nfs/dbraw/zinc/35/38/95/823353895.db2.gz WRNRKMLGDSOCFW-NRFANRHFSA-N 1 1 398.457 4.143 20 0 GIADMO CC[N@@H+]1CCc2[nH]c(=NC(=O)c3cc4c(s3)-c3ccccc3CC4)sc2C1 ZINC000021294268 818672399 /nfs/dbraw/zinc/67/23/99/818672399.db2.gz PTGUAKVFBCMTMH-UHFFFAOYSA-N 1 1 395.553 4.022 20 0 GIADMO CC[N@H+]1CCc2[nH]c(=NC(=O)c3cc4c(s3)-c3ccccc3CC4)sc2C1 ZINC000021294268 818672405 /nfs/dbraw/zinc/67/24/05/818672405.db2.gz PTGUAKVFBCMTMH-UHFFFAOYSA-N 1 1 395.553 4.022 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(=S)n(C[NH+](CC(C)C)CC(C)C)c2c1 ZINC000021317639 818674390 /nfs/dbraw/zinc/67/43/90/818674390.db2.gz FPUFGZRMRIUNCQ-UHFFFAOYSA-N 1 1 384.567 4.329 20 0 GIADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2coc3ccc4ccccc4c23)C[C@H](C)O1 ZINC000021525799 818699794 /nfs/dbraw/zinc/69/97/94/818699794.db2.gz DODBOWYFGFUPBU-IRXDYDNUSA-N 1 1 394.515 4.133 20 0 GIADMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000021673105 818723848 /nfs/dbraw/zinc/72/38/48/818723848.db2.gz BAGBNSMLWYYHHO-FQEVSTJZSA-N 1 1 397.906 4.474 20 0 GIADMO C[C@@H]1CN(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CCC1(F)F ZINC000460339976 823358424 /nfs/dbraw/zinc/35/84/24/823358424.db2.gz QYRKCHAYXQJJAM-APWZRJJASA-N 1 1 393.522 4.146 20 0 GIADMO CCCOc1c(Br)cc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000058061138 823358509 /nfs/dbraw/zinc/35/85/09/823358509.db2.gz SBUAMKRYCDYQCN-OAHLLOKOSA-N 1 1 399.373 4.066 20 0 GIADMO CCOc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@@H+](CC)C[C@H]3C)cs2)cc1 ZINC000122468094 823358844 /nfs/dbraw/zinc/35/88/44/823358844.db2.gz DCJNYAFXNHCTOJ-DNVCBOLYSA-N 1 1 387.549 4.011 20 0 GIADMO CCOc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@@H+](CC)C[C@H]3C)cs2)cc1 ZINC000122467856 823358904 /nfs/dbraw/zinc/35/89/04/823358904.db2.gz DCJNYAFXNHCTOJ-BEFAXECRSA-N 1 1 387.549 4.011 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)C1 ZINC000177051644 823359765 /nfs/dbraw/zinc/35/97/65/823359765.db2.gz SEPXZBNUSQWXTE-OAHLLOKOSA-N 1 1 387.446 4.132 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C[C@@H](C)c3c(C)noc3C)C2)s1 ZINC000572556190 823360072 /nfs/dbraw/zinc/36/00/72/823360072.db2.gz AXBIQTRAIHYEJQ-KDOFPFPSSA-N 1 1 389.565 4.135 20 0 GIADMO Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)c12 ZINC000409978873 823360821 /nfs/dbraw/zinc/36/08/21/823360821.db2.gz RRQUYFKPQXMJKJ-KRWDZBQOSA-N 1 1 392.503 4.048 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000177067708 823363622 /nfs/dbraw/zinc/36/36/22/823363622.db2.gz KEHZUDVYDLNTCB-GJZGRUSLSA-N 1 1 375.538 4.422 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460361342 823363910 /nfs/dbraw/zinc/36/39/10/823363910.db2.gz HBPALQNLVKEFQN-CYGODWOOSA-N 1 1 399.966 4.333 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000058132511 823363994 /nfs/dbraw/zinc/36/39/94/823363994.db2.gz DMLBYBNSHKKJGN-ZIAGYGMSSA-N 1 1 386.462 4.013 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCCC(F)(F)C1 ZINC000460362806 823364189 /nfs/dbraw/zinc/36/41/89/823364189.db2.gz ZSZKPUCJVLLKTD-MOPGFXCFSA-N 1 1 379.495 4.166 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)c(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000177084885 823367304 /nfs/dbraw/zinc/36/73/04/823367304.db2.gz ZDCKTOKVLGNZPN-ZFWWWQNUSA-N 1 1 377.410 4.279 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000460374507 823368522 /nfs/dbraw/zinc/36/85/22/823368522.db2.gz WAMKTZBCEASOES-AWEZNQCLSA-N 1 1 392.931 4.223 20 0 GIADMO Cc1cccc(C[NH+]2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000022802586 818862446 /nfs/dbraw/zinc/86/24/46/818862446.db2.gz RZOONDCGYPUFMQ-UHFFFAOYSA-N 1 1 382.895 4.016 20 0 GIADMO Cc1cc(C)c(NC(=O)CN2CC[NH+](Cc3ccccc3C)CC2)c(Cl)c1 ZINC000022818129 818864306 /nfs/dbraw/zinc/86/43/06/818864306.db2.gz RCMRWQCWUHEJHS-UHFFFAOYSA-N 1 1 385.939 4.022 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000572611146 823369261 /nfs/dbraw/zinc/36/92/61/823369261.db2.gz PLHRIKZRROWIMC-AWEZNQCLSA-N 1 1 378.875 4.379 20 0 GIADMO C[C@H](c1ccccc1)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000022849145 818867357 /nfs/dbraw/zinc/86/73/57/818867357.db2.gz BMNYQERXEJOJPH-MRXNPFEDSA-N 1 1 382.895 4.269 20 0 GIADMO C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000410005977 823369469 /nfs/dbraw/zinc/36/94/69/823369469.db2.gz AMOWVEULHGOPKB-FUHWJXTLSA-N 1 1 390.449 4.447 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000177092313 823369623 /nfs/dbraw/zinc/36/96/23/823369623.db2.gz LQGGRRQSKDCZFE-UWJYYQICSA-N 1 1 389.503 4.251 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000460388703 823372829 /nfs/dbraw/zinc/37/28/29/823372829.db2.gz QXERRLSHHSWQER-YESZJQIVSA-N 1 1 377.495 4.117 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000058275495 823374056 /nfs/dbraw/zinc/37/40/56/823374056.db2.gz KBBOYILYHQNDMK-IDCRMVTHSA-N 1 1 396.579 4.365 20 0 GIADMO Cc1noc(C)c1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023305023 818922585 /nfs/dbraw/zinc/92/25/85/818922585.db2.gz XMEJKNFLNGVGMO-UHFFFAOYSA-N 1 1 390.487 4.231 20 0 GIADMO O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1cccc(Cl)c1Cl ZINC000023354670 818927143 /nfs/dbraw/zinc/92/71/43/818927143.db2.gz NICPBIJQGHOGJJ-UHFFFAOYSA-N 1 1 392.330 4.140 20 0 GIADMO Cc1ccc(CC[C@H](C)NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000460394213 823374738 /nfs/dbraw/zinc/37/47/38/823374738.db2.gz MRANESMLSJLGDB-NYVOZVTQSA-N 1 1 395.547 4.073 20 0 GIADMO CCCC[N@@H+](C)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000023696941 818975188 /nfs/dbraw/zinc/97/51/88/818975188.db2.gz RVNIUUVVVCRNPE-OAQYLSRUSA-N 1 1 393.531 4.157 20 0 GIADMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000177124347 823377190 /nfs/dbraw/zinc/37/71/90/823377190.db2.gz ZOALADVJOXQRDQ-OAQYLSRUSA-N 1 1 392.503 4.231 20 0 GIADMO C[N@H+](Cc1ccc2c(c1)OCCO2)Cn1c2ccccc2nc1SC(F)F ZINC000023845819 818985894 /nfs/dbraw/zinc/98/58/94/818985894.db2.gz DXBJCGZZLYTJMR-UHFFFAOYSA-N 1 1 391.443 4.212 20 0 GIADMO COc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671142 823379597 /nfs/dbraw/zinc/37/95/97/823379597.db2.gz ROXPQGCJGQDXPQ-LPHOPBHVSA-N 1 1 390.474 4.297 20 0 GIADMO COc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671142 823379604 /nfs/dbraw/zinc/37/96/04/823379604.db2.gz ROXPQGCJGQDXPQ-LPHOPBHVSA-N 1 1 390.474 4.297 20 0 GIADMO COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671142 823379609 /nfs/dbraw/zinc/37/96/09/823379609.db2.gz ROXPQGCJGQDXPQ-LPHOPBHVSA-N 1 1 390.474 4.297 20 0 GIADMO CCc1cc2c(ncnc2N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)s1 ZINC000024059586 819017037 /nfs/dbraw/zinc/01/70/37/819017037.db2.gz BXOONFUSEQWVJW-LJQANCHMSA-N 1 1 382.533 4.048 20 0 GIADMO O=C(CCc1ccoc1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000177136802 823380064 /nfs/dbraw/zinc/38/00/64/823380064.db2.gz AQKIHYDPWWAXCO-HXUWFJFHSA-N 1 1 380.513 4.190 20 0 GIADMO O=C(CCc1ccoc1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000177136802 823380072 /nfs/dbraw/zinc/38/00/72/823380072.db2.gz AQKIHYDPWWAXCO-HXUWFJFHSA-N 1 1 380.513 4.190 20 0 GIADMO COCCCOC1CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000122630892 823384732 /nfs/dbraw/zinc/38/47/32/823384732.db2.gz KJHOWHZDSCORSA-HSZRJFAPSA-N 1 1 396.531 4.192 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000189285422 823387178 /nfs/dbraw/zinc/38/71/78/823387178.db2.gz NTRUFNNADIJIFQ-MSOLQXFVSA-N 1 1 380.454 4.113 20 0 GIADMO Cc1cc(NC(=O)Nc2ccc(NC[C@H]3CCCO3)c(F)c2)cn2cc[nH+]c12 ZINC000572718241 823388099 /nfs/dbraw/zinc/38/80/99/823388099.db2.gz IOOYBXPQNQTZFD-MRXNPFEDSA-N 1 1 383.427 4.017 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cs1 ZINC000177164192 823388297 /nfs/dbraw/zinc/38/82/97/823388297.db2.gz SCIDMIASCOHASZ-ZFWWWQNUSA-N 1 1 387.574 4.099 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)Sc2ccc(Br)cc2)CC[N@H+]1C ZINC000122674087 823391919 /nfs/dbraw/zinc/39/19/19/823391919.db2.gz BAEWZARZXMDHBS-HIFRSBDPSA-N 1 1 399.398 4.261 20 0 GIADMO C[C@H]1C[C@H](NC(=O)NCC2CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000410102382 823392294 /nfs/dbraw/zinc/39/22/94/823392294.db2.gz BVLMOEKNVJTRBG-QFBILLFUSA-N 1 1 379.495 4.164 20 0 GIADMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177178967 823392467 /nfs/dbraw/zinc/39/24/67/823392467.db2.gz QZQNKDIQYWGZHC-JQWIXIFHSA-N 1 1 394.302 4.312 20 0 GIADMO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189320184 823393304 /nfs/dbraw/zinc/39/33/04/823393304.db2.gz NWTAXCPGJUWDIH-LLVKDONJSA-N 1 1 398.375 4.373 20 0 GIADMO COC(=O)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc(F)cc1 ZINC000572758362 823393435 /nfs/dbraw/zinc/39/34/35/823393435.db2.gz OZUYUZLGINUOMQ-VGSWGCGISA-N 1 1 384.495 4.062 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000177169182 823389776 /nfs/dbraw/zinc/38/97/76/823389776.db2.gz YNSVGSGDJHATTI-UHFFFAOYSA-N 1 1 378.822 4.342 20 0 GIADMO c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4nc(-c5ccccc5)c[nH]4)C3)cn2)cn1 ZINC000177171832 823390509 /nfs/dbraw/zinc/39/05/09/823390509.db2.gz KKSPWHIQQCOABK-FQEVSTJZSA-N 1 1 384.487 4.037 20 0 GIADMO Cc1csc(C2([NH2+]CC(=O)N(C)c3nc4ccccc4s3)CCCC2)n1 ZINC000177172655 823390522 /nfs/dbraw/zinc/39/05/22/823390522.db2.gz KCSJOWBYPUZJIW-UHFFFAOYSA-N 1 1 386.546 4.083 20 0 GIADMO Cc1ccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c(OCC(F)(F)F)c1 ZINC000058432473 823390735 /nfs/dbraw/zinc/39/07/35/823390735.db2.gz HHIIUAUQHAABEG-UHFFFAOYSA-N 1 1 387.446 4.274 20 0 GIADMO CCCN(C(=O)c1cccc(C)c1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000122682094 823393701 /nfs/dbraw/zinc/39/37/01/823393701.db2.gz TUIIXJLBYJLAHV-UHFFFAOYSA-N 1 1 384.499 4.062 20 0 GIADMO Cc1nn(C)cc1C[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000122669996 823391196 /nfs/dbraw/zinc/39/11/96/823391196.db2.gz SFGKHPUJOIIOIA-OAQYLSRUSA-N 1 1 394.519 4.237 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccsc1Cl ZINC000189307177 823391610 /nfs/dbraw/zinc/39/16/10/823391610.db2.gz WKIGCHJAHBDIOP-HNNXBMFYSA-N 1 1 378.929 4.315 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177190446 823395407 /nfs/dbraw/zinc/39/54/07/823395407.db2.gz XHUVGMPAUXGRTP-VQTJNVASSA-N 1 1 398.576 4.096 20 0 GIADMO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177190446 823395414 /nfs/dbraw/zinc/39/54/14/823395414.db2.gz XHUVGMPAUXGRTP-VQTJNVASSA-N 1 1 398.576 4.096 20 0 GIADMO Cc1cc(Br)c(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000122709658 823398583 /nfs/dbraw/zinc/39/85/83/823398583.db2.gz UJTXLJRDKVQVHU-NEPJUHHUSA-N 1 1 388.737 4.357 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCc2ccccc2OC(F)(F)F)C1 ZINC000410116758 823395850 /nfs/dbraw/zinc/39/58/50/823395850.db2.gz COTRSRFHBFQVKZ-SOLBZPMBSA-N 1 1 398.469 4.382 20 0 GIADMO Brc1ccccc1-c1nnc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)o1 ZINC000177204104 823398656 /nfs/dbraw/zinc/39/86/56/823398656.db2.gz BMBQUYTWNSJGRE-LSDHHAIUSA-N 1 1 394.338 4.359 20 0 GIADMO Brc1ccccc1-c1nnc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)o1 ZINC000177204104 823398659 /nfs/dbraw/zinc/39/86/59/823398659.db2.gz BMBQUYTWNSJGRE-LSDHHAIUSA-N 1 1 394.338 4.359 20 0 GIADMO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000572774602 823396684 /nfs/dbraw/zinc/39/66/84/823396684.db2.gz SBIBYFWXSWAUFU-LJQANCHMSA-N 1 1 383.927 4.467 20 0 GIADMO CCCOc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000572798243 823400971 /nfs/dbraw/zinc/40/09/71/823400971.db2.gz YXEAJGDGSQUKBE-CALCHBBNSA-N 1 1 386.458 4.145 20 0 GIADMO CCC(CC)n1ncc(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)c1C ZINC000122730469 823401870 /nfs/dbraw/zinc/40/18/70/823401870.db2.gz TWTRRMWNFBWZLA-IRXDYDNUSA-N 1 1 398.551 4.414 20 0 GIADMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000460476555 823402083 /nfs/dbraw/zinc/40/20/83/823402083.db2.gz CATFUOAPOOSJHW-BWAGFHJFSA-N 1 1 395.522 4.359 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)Cc2ccccc2N(C)C)cc1 ZINC000460478440 823402704 /nfs/dbraw/zinc/40/27/04/823402704.db2.gz FJHQEBHRJBWZND-KRWDZBQOSA-N 1 1 391.519 4.149 20 0 GIADMO CCCOc1cc(C)ccc1CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000572809031 823403251 /nfs/dbraw/zinc/40/32/51/823403251.db2.gz HBXZOFDUIZZZID-UHFFFAOYSA-N 1 1 396.535 4.087 20 0 GIADMO CCOc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1OCC ZINC000058532292 823404854 /nfs/dbraw/zinc/40/48/54/823404854.db2.gz GLHSPELZYWBQIO-QGZVFWFLSA-N 1 1 377.529 4.118 20 0 GIADMO CCCc1nnc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)s1 ZINC000058534106 823405569 /nfs/dbraw/zinc/40/55/69/823405569.db2.gz RCZDEROLXPMHCB-OAHLLOKOSA-N 1 1 387.553 4.187 20 0 GIADMO CC[C@H](NC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000058538450 823405860 /nfs/dbraw/zinc/40/58/60/823405860.db2.gz NHXKJUXWXMFIRN-OALUTQOASA-N 1 1 389.927 4.402 20 0 GIADMO CCN(CC)C(=O)C1CC[NH+](Cn2c3ccc(Cl)cc3oc2=S)CC1 ZINC000058539562 823406070 /nfs/dbraw/zinc/40/60/70/823406070.db2.gz DTXRPSLGJPLXRV-UHFFFAOYSA-N 1 1 381.929 4.155 20 0 GIADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000122758618 823407047 /nfs/dbraw/zinc/40/70/47/823407047.db2.gz OELNKSAHSSYOCQ-SFHVURJKSA-N 1 1 388.943 4.011 20 0 GIADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000122758618 823407052 /nfs/dbraw/zinc/40/70/52/823407052.db2.gz OELNKSAHSSYOCQ-SFHVURJKSA-N 1 1 388.943 4.011 20 0 GIADMO Cc1cc(C)n(-c2ccccc2NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000058546342 823407314 /nfs/dbraw/zinc/40/73/14/823407314.db2.gz BKNOOBKCQMMWHK-SFHVURJKSA-N 1 1 383.540 4.265 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(OCCF)c1 ZINC000122787376 823412193 /nfs/dbraw/zinc/41/21/93/823412193.db2.gz TXFKMFHQQWYSHS-SFHVURJKSA-N 1 1 385.483 4.163 20 0 GIADMO C[N@@H+](CCCNC(=O)CSc1nc2ccccc2s1)Cc1ccccc1 ZINC000058581843 823412591 /nfs/dbraw/zinc/41/25/91/823412591.db2.gz WWMPMBSJQCBDOH-UHFFFAOYSA-N 1 1 385.558 4.027 20 0 GIADMO CNc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000572874784 823412634 /nfs/dbraw/zinc/41/26/34/823412634.db2.gz OKZYQHHGVRRUKA-UHFFFAOYSA-N 1 1 398.359 4.491 20 0 GIADMO Brc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3ccnc3)nc2)c1 ZINC000177260651 823412814 /nfs/dbraw/zinc/41/28/14/823412814.db2.gz NBNXARKDIQZXLG-SFHVURJKSA-N 1 1 383.293 4.367 20 0 GIADMO Brc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)nc2)c1 ZINC000177260651 823412816 /nfs/dbraw/zinc/41/28/16/823412816.db2.gz NBNXARKDIQZXLG-SFHVURJKSA-N 1 1 383.293 4.367 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2c(F)ccc(F)c2F)CC1 ZINC000122790944 823412853 /nfs/dbraw/zinc/41/28/53/823412853.db2.gz LQEUEQCNPFRQNP-UHFFFAOYSA-N 1 1 376.422 4.088 20 0 GIADMO COc1cc(C[N@H+](C)Cc2csc(Br)c2)cc(OC)c1OC ZINC000122793600 823413036 /nfs/dbraw/zinc/41/30/36/823413036.db2.gz BMKDNXCIXMYBKL-UHFFFAOYSA-N 1 1 386.311 4.168 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2csc(Br)c2)cc(OC)c1OC ZINC000122793600 823413042 /nfs/dbraw/zinc/41/30/42/823413042.db2.gz BMKDNXCIXMYBKL-UHFFFAOYSA-N 1 1 386.311 4.168 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)cc4cccnc43)C2)n1 ZINC000177262704 823413325 /nfs/dbraw/zinc/41/33/25/823413325.db2.gz FAGDXALWFJXZRZ-AWEZNQCLSA-N 1 1 387.281 4.068 20 0 GIADMO CC[C@@H](C)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)cc1 ZINC000122796615 823413702 /nfs/dbraw/zinc/41/37/02/823413702.db2.gz IKTREXZVUYZFAH-MJGOQNOKSA-N 1 1 383.540 4.191 20 0 GIADMO CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)cc1 ZINC000122796615 823413705 /nfs/dbraw/zinc/41/37/05/823413705.db2.gz IKTREXZVUYZFAH-MJGOQNOKSA-N 1 1 383.540 4.191 20 0 GIADMO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888997 823414374 /nfs/dbraw/zinc/41/43/74/823414374.db2.gz TXNNLMOBGSFMPU-RISCZKNCSA-N 1 1 395.263 4.120 20 0 GIADMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888997 823414389 /nfs/dbraw/zinc/41/43/89/823414389.db2.gz TXNNLMOBGSFMPU-RISCZKNCSA-N 1 1 395.263 4.120 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000572888997 823414392 /nfs/dbraw/zinc/41/43/92/823414392.db2.gz TXNNLMOBGSFMPU-RISCZKNCSA-N 1 1 395.263 4.120 20 0 GIADMO CC(C)Oc1cccc(CN(C)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000122801811 823414764 /nfs/dbraw/zinc/41/47/64/823414764.db2.gz FVNFEQYXRFCPEE-LJQANCHMSA-N 1 1 375.557 4.127 20 0 GIADMO CCCCOc1ccc(CNc2ccccc2C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000189448041 823419101 /nfs/dbraw/zinc/41/91/01/823419101.db2.gz QZLVQZIHPVGSQQ-UHFFFAOYSA-N 1 1 395.547 4.142 20 0 GIADMO Clc1ccc([C@H](Cc2cccnc2)[NH2+]Cc2nnc3n2CCCCC3)cc1 ZINC000572894269 823415336 /nfs/dbraw/zinc/41/53/36/823415336.db2.gz DFVHEAZPNQHSKR-IBGZPJMESA-N 1 1 381.911 4.127 20 0 GIADMO C[C@@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cn1 ZINC000572906446 823417522 /nfs/dbraw/zinc/41/75/22/823417522.db2.gz OIHWSGLXOKLVGO-BMIGLBTASA-N 1 1 389.215 4.247 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000460537571 823423922 /nfs/dbraw/zinc/42/39/22/823423922.db2.gz OGFKYNVFZIYTDO-NRFANRHFSA-N 1 1 381.520 4.242 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC(C)(C)[C@@H]1C1CC1 ZINC000460537571 823423924 /nfs/dbraw/zinc/42/39/24/823423924.db2.gz OGFKYNVFZIYTDO-NRFANRHFSA-N 1 1 381.520 4.242 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177307368 823428390 /nfs/dbraw/zinc/42/83/90/823428390.db2.gz LCFJBOOHRPMLOO-LJQANCHMSA-N 1 1 391.515 4.191 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CCCc3c(O)cccc32)cc1 ZINC000189512355 823434373 /nfs/dbraw/zinc/43/43/73/823434373.db2.gz VVRDVRIWCYLXSQ-VFNWGFHPSA-N 1 1 390.487 4.324 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000122896455 823430658 /nfs/dbraw/zinc/43/06/58/823430658.db2.gz FVACWJJFAWXEPU-JKSUJKDBSA-N 1 1 386.542 4.323 20 0 GIADMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000024679327 819863941 /nfs/dbraw/zinc/86/39/41/819863941.db2.gz WTBATSFPDYSFKY-KRWDZBQOSA-N 1 1 376.847 4.009 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000024804454 819878799 /nfs/dbraw/zinc/87/87/99/819878799.db2.gz NOWPUXMSNDMBRF-QGZVFWFLSA-N 1 1 379.435 4.331 20 0 GIADMO Cc1cc2cc(NC(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccc2[nH]1 ZINC000573023531 823435340 /nfs/dbraw/zinc/43/53/40/823435340.db2.gz SOYQDWONHLJNGK-CTNGQTDRSA-N 1 1 388.515 4.462 20 0 GIADMO COc1ccc2oc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)c(C)c2c1 ZINC000024830142 819882033 /nfs/dbraw/zinc/88/20/33/819882033.db2.gz VXKDTSQUFTZDIV-UHFFFAOYSA-N 1 1 396.462 4.237 20 0 GIADMO COc1ccc2oc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c(C)c2c1 ZINC000024830142 819882042 /nfs/dbraw/zinc/88/20/42/819882042.db2.gz VXKDTSQUFTZDIV-UHFFFAOYSA-N 1 1 396.462 4.237 20 0 GIADMO Cc1cc2cc(NC(=O)N3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC000573023534 823435586 /nfs/dbraw/zinc/43/55/86/823435586.db2.gz SOYQDWONHLJNGK-TZIWHRDSSA-N 1 1 388.515 4.462 20 0 GIADMO C[C@@H](c1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1)[NH+]1CCOCC1 ZINC000122942207 823437048 /nfs/dbraw/zinc/43/70/48/823437048.db2.gz KKVYXVDLIXXIHZ-AWEZNQCLSA-N 1 1 376.859 4.054 20 0 GIADMO CCC(C)(C)NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025035393 819912375 /nfs/dbraw/zinc/91/23/75/819912375.db2.gz IPYUGYWBFUHBOV-UHFFFAOYSA-N 1 1 379.957 4.434 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCC(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000025126402 819933692 /nfs/dbraw/zinc/93/36/92/819933692.db2.gz VAYBUKMANMVBJX-OALUTQOASA-N 1 1 380.532 4.003 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000573045987 823439489 /nfs/dbraw/zinc/43/94/89/823439489.db2.gz KYJSCWMFYMPTTE-UHFFFAOYSA-N 1 1 383.515 4.299 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](CCSc2ccccc2F)C2CC2)cc1 ZINC000025185244 819940726 /nfs/dbraw/zinc/94/07/26/819940726.db2.gz IVTGBSGVHOPOCR-UHFFFAOYSA-N 1 1 384.520 4.475 20 0 GIADMO CC(=O)Nc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000025214874 819943968 /nfs/dbraw/zinc/94/39/68/819943968.db2.gz BAQYQMDSUXIDPO-QFIPXVFZSA-N 1 1 391.446 4.254 20 0 GIADMO CCOc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000025233825 819947690 /nfs/dbraw/zinc/94/76/90/819947690.db2.gz WEZGLNCSJCDXRV-NRFANRHFSA-N 1 1 395.499 4.119 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc4[nH]ccc4c3)CC[N@H+]2C2CC2)c1 ZINC000189544412 823440994 /nfs/dbraw/zinc/44/09/94/823440994.db2.gz DUNRHGMZFLTSPD-FGZHOGPDSA-N 1 1 390.487 4.276 20 0 GIADMO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)COc2cccc(C(C)=O)c2)cc1 ZINC000025302204 819957951 /nfs/dbraw/zinc/95/79/51/819957951.db2.gz PDJZDQCQJKKBQC-QPPBQGQZSA-N 1 1 397.515 4.255 20 0 GIADMO CCOc1cc(C[NH2+][C@@H](C)c2ccncc2OC)cc(Br)c1OC ZINC000189548869 823441712 /nfs/dbraw/zinc/44/17/12/823441712.db2.gz UTTMZACOBKOEHG-LBPRGKRZSA-N 1 1 395.297 4.111 20 0 GIADMO Cc1ccc2nc(C[N@@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)cc(=O)n2c1 ZINC000025400034 819975671 /nfs/dbraw/zinc/97/56/71/819975671.db2.gz PPFDIXYDVNLQGO-HSZRJFAPSA-N 1 1 381.479 4.151 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)ccc2c1 ZINC000025410757 819977098 /nfs/dbraw/zinc/97/70/98/819977098.db2.gz MPXKNHFKAXKWJC-GOSISDBHSA-N 1 1 388.511 4.254 20 0 GIADMO Cc1[nH]c2ccc(C(=O)NCC(C)(C)[N@H+]3CCc4ccccc4C3)cc2c1C ZINC000025459642 819985302 /nfs/dbraw/zinc/98/53/02/819985302.db2.gz ZUUKXBQFKMDHLR-UHFFFAOYSA-N 1 1 375.516 4.351 20 0 GIADMO Cc1[nH]c2ccccc2c1CC(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000025541573 820000778 /nfs/dbraw/zinc/00/07/78/820000778.db2.gz SDBVAZPEIXZHGU-XMMPIXPASA-N 1 1 389.543 4.218 20 0 GIADMO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000573075219 823444282 /nfs/dbraw/zinc/44/42/82/823444282.db2.gz KZEDNORPXNIRQI-LJQANCHMSA-N 1 1 399.560 4.107 20 0 GIADMO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1C ZINC000058754299 823444792 /nfs/dbraw/zinc/44/47/92/823444792.db2.gz CQBABOFMQQCFSX-UHFFFAOYSA-N 1 1 390.483 4.370 20 0 GIADMO C[C@@H](CNC(=O)c1csc(-c2cccs2)n1)[N@H+]1CCc2ccccc2C1 ZINC000025637126 820009586 /nfs/dbraw/zinc/00/95/86/820009586.db2.gz KHOAEKMBUCKUHI-AWEZNQCLSA-N 1 1 383.542 4.048 20 0 GIADMO C[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccc2ccccc2c1 ZINC000025679346 820013443 /nfs/dbraw/zinc/01/34/43/820013443.db2.gz VDYPIXCTCGPIGM-UHFFFAOYSA-N 1 1 389.524 4.240 20 0 GIADMO C[N@@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccc2ccccc2c1 ZINC000025679346 820013452 /nfs/dbraw/zinc/01/34/52/820013452.db2.gz VDYPIXCTCGPIGM-UHFFFAOYSA-N 1 1 389.524 4.240 20 0 GIADMO Cc1ccc(CNC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)cc1F ZINC000025699059 820015195 /nfs/dbraw/zinc/01/51/95/820015195.db2.gz RDBOGZRGXSGKJS-NRFANRHFSA-N 1 1 386.467 4.330 20 0 GIADMO Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000573080793 823445303 /nfs/dbraw/zinc/44/53/03/823445303.db2.gz HVCJXBRDLZUNFQ-AWEZNQCLSA-N 1 1 395.425 4.131 20 0 GIADMO C[C@@H](NC(=O)C[N@H+](Cc1ccccc1)C1CC1)c1ccc(Br)cc1 ZINC000025750114 820021352 /nfs/dbraw/zinc/02/13/52/820021352.db2.gz MIGCBZYAPAPLSS-OAHLLOKOSA-N 1 1 387.321 4.291 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1)C1CC1)c1ccc(Br)cc1 ZINC000025750114 820021362 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4.291 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc(F)cc1Br ZINC000026259332 820076369 /nfs/dbraw/zinc/07/63/69/820076369.db2.gz NXNGHYHBLWWYDL-CYBMUJFWSA-N 1 1 389.272 4.362 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc(F)cc1Br ZINC000026259332 820076377 /nfs/dbraw/zinc/07/63/77/820076377.db2.gz NXNGHYHBLWWYDL-CYBMUJFWSA-N 1 1 389.272 4.362 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](OCCC(C)C)C3)cs2)c(OC)c1 ZINC000177387761 823451126 /nfs/dbraw/zinc/45/11/26/823451126.db2.gz WQCXWNGEIDRTSI-GOSISDBHSA-N 1 1 390.549 4.464 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CC[C@@H](OCCC(C)C)C3)cs2)c(OC)c1 ZINC000177387761 823451130 /nfs/dbraw/zinc/45/11/30/823451130.db2.gz WQCXWNGEIDRTSI-GOSISDBHSA-N 1 1 390.549 4.464 20 0 GIADMO O=C(NCc1cccc2ccccc21)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058794721 823453550 /nfs/dbraw/zinc/45/35/50/823453550.db2.gz KQFNRFRPJXHCQM-QFIPXVFZSA-N 1 1 376.525 4.246 20 0 GIADMO C[N@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1cccc(C#N)c1 ZINC000026326995 820083924 /nfs/dbraw/zinc/08/39/24/820083924.db2.gz AMYKRBPRARWZDG-UHFFFAOYSA-N 1 1 376.504 4.009 20 0 GIADMO C[N@@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1cccc(C#N)c1 ZINC000026326995 820083935 /nfs/dbraw/zinc/08/39/35/820083935.db2.gz AMYKRBPRARWZDG-UHFFFAOYSA-N 1 1 376.504 4.009 20 0 GIADMO CC[C@@H]1CN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc2O1 ZINC000460606180 823453715 /nfs/dbraw/zinc/45/37/15/823453715.db2.gz IWYQKQKGOCCRKY-LVCYWYKZSA-N 1 1 394.515 4.114 20 0 GIADMO CC[C@@H]1CN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c2ccccc2O1 ZINC000460606180 823453718 /nfs/dbraw/zinc/45/37/18/823453718.db2.gz IWYQKQKGOCCRKY-LVCYWYKZSA-N 1 1 394.515 4.114 20 0 GIADMO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)Cc1ccc(Br)cc1 ZINC000026483996 820103981 /nfs/dbraw/zinc/10/39/81/820103981.db2.gz XJDCRWUHWGXLCI-LLVKDONJSA-N 1 1 383.236 4.186 20 0 GIADMO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000026483996 820103985 /nfs/dbraw/zinc/10/39/85/820103985.db2.gz XJDCRWUHWGXLCI-LLVKDONJSA-N 1 1 383.236 4.186 20 0 GIADMO Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000573140407 823454295 /nfs/dbraw/zinc/45/42/95/823454295.db2.gz NBOBRPRABDHPJT-LVCYWYKZSA-N 1 1 395.453 4.359 20 0 GIADMO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000026643491 820127239 /nfs/dbraw/zinc/12/72/39/820127239.db2.gz CFKSJSIFEQNXNF-FQEVSTJZSA-N 1 1 392.543 4.211 20 0 GIADMO Cc1csc2nc(C[N@@H+](CCc3ccccc3)Cc3ccccc3)cc(=O)n12 ZINC000026648761 820128219 /nfs/dbraw/zinc/12/82/19/820128219.db2.gz LUXIFZYFQDUVRM-UHFFFAOYSA-N 1 1 389.524 4.309 20 0 GIADMO CCSc1cc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)ccn1 ZINC000189598096 823455306 /nfs/dbraw/zinc/45/53/06/823455306.db2.gz VMYHYKUISCOQQC-UHFFFAOYSA-N 1 1 385.514 4.336 20 0 GIADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000573148034 823455676 /nfs/dbraw/zinc/45/56/76/823455676.db2.gz YTPBBCZMHXHMMS-MORSLUCNSA-N 1 1 381.442 4.035 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CN2CCc3sccc3C2)c1 ZINC000058810348 823456236 /nfs/dbraw/zinc/45/62/36/823456236.db2.gz IKNIYYNYGHCCJV-UHFFFAOYSA-N 1 1 394.544 4.113 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000026910704 820163204 /nfs/dbraw/zinc/16/32/04/820163204.db2.gz MQLXILCGWHYMBU-KRWDZBQOSA-N 1 1 379.435 4.331 20 0 GIADMO COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000026918851 820164419 /nfs/dbraw/zinc/16/44/19/820164419.db2.gz GADVFXLUPNOCOV-GOSISDBHSA-N 1 1 381.520 4.235 20 0 GIADMO COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000026918851 820164424 /nfs/dbraw/zinc/16/44/24/820164424.db2.gz GADVFXLUPNOCOV-GOSISDBHSA-N 1 1 381.520 4.235 20 0 GIADMO CCOC(=O)c1cccc(N(CC)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000058824080 823459606 /nfs/dbraw/zinc/45/96/06/823459606.db2.gz PDMFRSBSMROFDF-OAQYLSRUSA-N 1 1 394.515 4.128 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[NH+]3CCC4(CC3)OCCO4)cs2)cc1 ZINC000026936800 820165713 /nfs/dbraw/zinc/16/57/13/820165713.db2.gz OSEKXGMWZTYMTA-UHFFFAOYSA-N 1 1 384.423 4.168 20 0 GIADMO CC(C)[N@@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000026942225 820166826 /nfs/dbraw/zinc/16/68/26/820166826.db2.gz KSFYURUFHJDDPD-UHFFFAOYSA-N 1 1 379.220 4.279 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCCCOc1c(OC)cccc1OC)C2 ZINC000573169804 823459017 /nfs/dbraw/zinc/45/90/17/823459017.db2.gz VUYIAAVOMQLIQJ-UHFFFAOYSA-N 1 1 397.515 4.419 20 0 GIADMO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000177399749 823453854 /nfs/dbraw/zinc/45/38/54/823453854.db2.gz ISNATZXGTAFSES-NSHDSACASA-N 1 1 388.336 4.322 20 0 GIADMO C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000177399749 823453859 /nfs/dbraw/zinc/45/38/59/823453859.db2.gz ISNATZXGTAFSES-NSHDSACASA-N 1 1 388.336 4.322 20 0 GIADMO Cc1cc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc(N2CCCC2)[nH+]1 ZINC000573172774 823460126 /nfs/dbraw/zinc/46/01/26/823460126.db2.gz FSSXRJMYNAROET-UHFFFAOYSA-N 1 1 378.303 4.156 20 0 GIADMO Cc1ccccc1[C@H]([C@H](C)N[C@H](C)c1ccc(Br)cn1)[NH+](C)C ZINC000573178853 823461805 /nfs/dbraw/zinc/46/18/05/823461805.db2.gz RQVZRPHZEQRODT-VCBZYWHSSA-N 1 1 376.342 4.495 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)Cc3ccccc3C)CC2)c(C)c1 ZINC000027233292 820213815 /nfs/dbraw/zinc/21/38/15/820213815.db2.gz KREIXOVAGSLXBB-UHFFFAOYSA-N 1 1 392.543 4.165 20 0 GIADMO CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)o2)cc1 ZINC000027333722 820225922 /nfs/dbraw/zinc/22/59/22/820225922.db2.gz DYWPXWUVCWEMSW-IBGZPJMESA-N 1 1 392.455 4.309 20 0 GIADMO Cc1nc(-c2c[nH]c(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)c2)cs1 ZINC000027347742 820228570 /nfs/dbraw/zinc/22/85/70/820228570.db2.gz KDWGIUGXGLQDID-GOSISDBHSA-N 1 1 388.924 4.133 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000027347826 820229169 /nfs/dbraw/zinc/22/91/69/820229169.db2.gz NMWMHXNAKWYWRX-QGZVFWFLSA-N 1 1 384.829 4.320 20 0 GIADMO Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000573185627 823462870 /nfs/dbraw/zinc/46/28/70/823462870.db2.gz DUBUSOANICXENW-PWSUYJOCSA-N 1 1 394.302 4.312 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000027390249 820237725 /nfs/dbraw/zinc/23/77/25/820237725.db2.gz YVNBMMGVNDHACY-UHFFFAOYSA-N 1 1 381.907 4.478 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000027404568 820240575 /nfs/dbraw/zinc/24/05/75/820240575.db2.gz NEHDMEVACQGBJV-GOSISDBHSA-N 1 1 378.497 4.321 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000027404568 820240582 /nfs/dbraw/zinc/24/05/82/820240582.db2.gz NEHDMEVACQGBJV-GOSISDBHSA-N 1 1 378.497 4.321 20 0 GIADMO O=C(NC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1)c1ccc(F)cc1 ZINC000027436032 820243785 /nfs/dbraw/zinc/24/37/85/820243785.db2.gz DBUNUGPVLLJMJH-UHFFFAOYSA-N 1 1 395.503 4.344 20 0 GIADMO O=C(NC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1)c1ccc(F)cc1 ZINC000027438840 820244572 /nfs/dbraw/zinc/24/45/72/820244572.db2.gz BKYRJSHHYKVFJV-UHFFFAOYSA-N 1 1 397.425 4.014 20 0 GIADMO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000027497731 820253601 /nfs/dbraw/zinc/25/36/01/820253601.db2.gz CCWDLUVNIHKIOU-QAPCUYQASA-N 1 1 376.884 4.044 20 0 GIADMO Cc1cc(C(=O)CCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C)s1 ZINC000027499958 820254304 /nfs/dbraw/zinc/25/43/04/820254304.db2.gz SFGJVUNQVLVIFU-SFHVURJKSA-N 1 1 388.533 4.264 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000027535697 820256799 /nfs/dbraw/zinc/25/67/99/820256799.db2.gz IRYZDHLYABSLSF-AWEZNQCLSA-N 1 1 380.410 4.481 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000027535697 820256808 /nfs/dbraw/zinc/25/68/08/820256808.db2.gz IRYZDHLYABSLSF-AWEZNQCLSA-N 1 1 380.410 4.481 20 0 GIADMO CC[N@@H+](CCNC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000460665162 823471059 /nfs/dbraw/zinc/47/10/59/823471059.db2.gz XWNUGKKJKBSSGC-LBPRGKRZSA-N 1 1 399.379 4.340 20 0 GIADMO CCc1ccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000410353249 823471154 /nfs/dbraw/zinc/47/11/54/823471154.db2.gz MGUKLSJIZWZAPE-HDICACEKSA-N 1 1 381.520 4.180 20 0 GIADMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000573212767 823466241 /nfs/dbraw/zinc/46/62/41/823466241.db2.gz HUPRPDLYSISWLO-UHFFFAOYSA-N 1 1 393.915 4.114 20 0 GIADMO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)cc1 ZINC000027687716 820275826 /nfs/dbraw/zinc/27/58/26/820275826.db2.gz PUYQBCVUTDMZJS-HNNXBMFYSA-N 1 1 391.309 4.095 20 0 GIADMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)cc1 ZINC000027687716 820275829 /nfs/dbraw/zinc/27/58/29/820275829.db2.gz PUYQBCVUTDMZJS-HNNXBMFYSA-N 1 1 391.309 4.095 20 0 GIADMO C[C@H](NC(=O)N[C@@H]1CCc2sc(Cl)cc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460650283 823466483 /nfs/dbraw/zinc/46/64/83/823466483.db2.gz CFNQPYPKTVBRMI-HEHGZKQESA-N 1 1 381.973 4.341 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(Br)cn1)c1ccco1 ZINC000177458789 823467293 /nfs/dbraw/zinc/46/72/93/823467293.db2.gz ACDYVOMZGZANAR-IAGOWNOFSA-N 1 1 379.298 4.305 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(Br)cn1)c1ccco1 ZINC000177458789 823467297 /nfs/dbraw/zinc/46/72/97/823467297.db2.gz ACDYVOMZGZANAR-IAGOWNOFSA-N 1 1 379.298 4.305 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)c(C(F)(F)F)c1 ZINC000027892979 820294034 /nfs/dbraw/zinc/29/40/34/820294034.db2.gz GIQWLWITDJVFFB-LLVKDONJSA-N 1 1 399.438 4.357 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)c(C(F)(F)F)c1 ZINC000027892979 820294040 /nfs/dbraw/zinc/29/40/40/820294040.db2.gz GIQWLWITDJVFFB-LLVKDONJSA-N 1 1 399.438 4.357 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)C2CC2)cc1 ZINC000027906712 820295438 /nfs/dbraw/zinc/29/54/38/820295438.db2.gz FWKNTQHVSVYGNV-VWNXMTODSA-N 1 1 378.516 4.272 20 0 GIADMO NC(=O)c1ccc(C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C2CC2)cc1 ZINC000027908528 820295483 /nfs/dbraw/zinc/29/54/83/820295483.db2.gz BVFZIZLECFFQIA-UHFFFAOYSA-N 1 1 399.494 4.056 20 0 GIADMO NC(=O)c1ccc(C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C2CC2)cc1 ZINC000027908528 820295489 /nfs/dbraw/zinc/29/54/89/820295489.db2.gz BVFZIZLECFFQIA-UHFFFAOYSA-N 1 1 399.494 4.056 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc(OCc3cccnc3)c2)C1 ZINC000058899387 823467993 /nfs/dbraw/zinc/46/79/93/823467993.db2.gz OOZRMAMFXMEVTI-BGYRXZFFSA-N 1 1 395.547 4.149 20 0 GIADMO COC(=O)c1cccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000410346589 823469118 /nfs/dbraw/zinc/46/91/18/823469118.db2.gz WEUCFLFUESTCKP-KRWDZBQOSA-N 1 1 395.503 4.169 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]2c2cccn2C)cc1 ZINC000410346665 823469135 /nfs/dbraw/zinc/46/91/35/823469135.db2.gz WDKRXLXQDSFLIM-WMZHIEFXSA-N 1 1 394.563 4.446 20 0 GIADMO C[C@@H](NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460660818 823469795 /nfs/dbraw/zinc/46/97/95/823469795.db2.gz UWZUGSPASNKZGS-VQHPVUNQSA-N 1 1 389.506 4.402 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@@H](OCCC(C)C)C2)cc1 ZINC000123155133 823470893 /nfs/dbraw/zinc/47/08/93/823470893.db2.gz QOEGXFYPOYZDQL-DYESRHJHSA-N 1 1 384.524 4.088 20 0 GIADMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)C1 ZINC000058925233 823470934 /nfs/dbraw/zinc/47/09/34/823470934.db2.gz PYRSXBKAEUUDGI-KRWDZBQOSA-N 1 1 375.472 4.080 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](c4ccccc4)C(C)(C)C3)CC2)cs1 ZINC000123153533 823471074 /nfs/dbraw/zinc/47/10/74/823471074.db2.gz MBPIONJNWNIZNJ-NRFANRHFSA-N 1 1 397.588 4.316 20 0 GIADMO COc1ccc(-c2csc(C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)c2)cc1 ZINC000177484120 823473120 /nfs/dbraw/zinc/47/31/20/823473120.db2.gz IWOGJZXXBVCYJW-OAQYLSRUSA-N 1 1 380.513 4.343 20 0 GIADMO COc1ccc([C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccco2)cc1 ZINC000573266115 823473187 /nfs/dbraw/zinc/47/31/87/823473187.db2.gz UEYKPMOYXTYGKK-OFNKIYASSA-N 1 1 390.483 4.016 20 0 GIADMO C[C@@H](Cc1cccs1)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000410358982 823473516 /nfs/dbraw/zinc/47/35/16/823473516.db2.gz JNDPIITXNTZIFS-MSOLQXFVSA-N 1 1 385.577 4.410 20 0 GIADMO COC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000410358624 823473530 /nfs/dbraw/zinc/47/35/30/823473530.db2.gz GYFFOKXKXHACPT-KRWDZBQOSA-N 1 1 395.503 4.027 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCOc1ccccc1F ZINC000410358253 823473536 /nfs/dbraw/zinc/47/35/36/823473536.db2.gz FDQKNRCMTHOCAC-SFHVURJKSA-N 1 1 399.510 4.078 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000028901439 820369817 /nfs/dbraw/zinc/36/98/17/820369817.db2.gz GPNOKQFASYMJJD-UHFFFAOYSA-N 1 1 397.302 4.341 20 0 GIADMO COCc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000410360596 823474155 /nfs/dbraw/zinc/47/41/55/823474155.db2.gz RUOXCYSJXAIESM-SFHVURJKSA-N 1 1 381.520 4.387 20 0 GIADMO Cc1cccc2oc(CC[NH2+][C@H](c3ccn(C)n3)c3ccc(Cl)cc3)nc21 ZINC000410362247 823474477 /nfs/dbraw/zinc/47/44/77/823474477.db2.gz UQJWRRQSTNCWBU-NRFANRHFSA-N 1 1 380.879 4.445 20 0 GIADMO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000029050159 820387133 /nfs/dbraw/zinc/38/71/33/820387133.db2.gz ZLAMJZJVHNISSG-HXUWFJFHSA-N 1 1 385.870 4.368 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccccc2F)C1 ZINC000410364180 823475151 /nfs/dbraw/zinc/47/51/51/823475151.db2.gz YIWYJQDDBIXOFB-GOSISDBHSA-N 1 1 383.511 4.399 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccccc1Cl ZINC000029050835 820387689 /nfs/dbraw/zinc/38/76/89/820387689.db2.gz HPDRAMNXWUZWDW-SFHVURJKSA-N 1 1 378.875 4.056 20 0 GIADMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2Sc2ccccc2)C[C@H](C)O1 ZINC000460676318 823475386 /nfs/dbraw/zinc/47/53/86/823475386.db2.gz IFQFMHRLRZKSIG-HDICACEKSA-N 1 1 384.545 4.067 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1ccc(Cl)s1 ZINC000410367105 823476678 /nfs/dbraw/zinc/47/66/78/823476678.db2.gz JHWSBWIIYITNFD-UHFFFAOYSA-N 1 1 379.957 4.284 20 0 GIADMO CCOc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000410371196 823478492 /nfs/dbraw/zinc/47/84/92/823478492.db2.gz SLNYMTKPTBGCNE-IBGZPJMESA-N 1 1 395.547 4.459 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCc2ccc(F)cc2)C1 ZINC000410371765 823478617 /nfs/dbraw/zinc/47/86/17/823478617.db2.gz UFMQYGFRUPPTNQ-SFHVURJKSA-N 1 1 383.511 4.100 20 0 GIADMO COc1ncc(C[N@H+](C)[C@H]2CCSc3ccc(Br)cc32)c(C)n1 ZINC000410371613 823478762 /nfs/dbraw/zinc/47/87/62/823478762.db2.gz TUESVWVAZHZETB-HNNXBMFYSA-N 1 1 394.338 4.225 20 0 GIADMO COc1ncc(C[N@@H+](C)[C@H]2CCSc3ccc(Br)cc32)c(C)n1 ZINC000410371613 823478766 /nfs/dbraw/zinc/47/87/66/823478766.db2.gz TUESVWVAZHZETB-HNNXBMFYSA-N 1 1 394.338 4.225 20 0 GIADMO COc1cnccc1[C@H](C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000189700443 823479038 /nfs/dbraw/zinc/47/90/38/823479038.db2.gz YUTNLFVWYYPQNY-MSOLQXFVSA-N 1 1 396.535 4.025 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(Cc3coc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000177509231 823479238 /nfs/dbraw/zinc/47/92/38/823479238.db2.gz RSDDTQFIFONKDB-KDURUIRLSA-N 1 1 383.536 4.053 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2CC(F)(F)F)[C@@H]1c1ccccc1 ZINC000189702124 823479398 /nfs/dbraw/zinc/47/93/98/823479398.db2.gz WQDMKOCIWMMOKT-ROUUACIJSA-N 1 1 377.410 4.358 20 0 GIADMO C[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410372929 823479397 /nfs/dbraw/zinc/47/93/97/823479397.db2.gz WLPICPOKXXSBQK-HSALFYBXSA-N 1 1 395.547 4.198 20 0 GIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000058988022 823479567 /nfs/dbraw/zinc/47/95/67/823479567.db2.gz UMIWYQYFGKHBCK-RTGRKSDTSA-N 1 1 395.478 4.291 20 0 GIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000058988022 823479570 /nfs/dbraw/zinc/47/95/70/823479570.db2.gz UMIWYQYFGKHBCK-RTGRKSDTSA-N 1 1 395.478 4.291 20 0 GIADMO COc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410376248 823480662 /nfs/dbraw/zinc/48/06/62/823480662.db2.gz UKXBISFZYGPWFO-SFHVURJKSA-N 1 1 381.520 4.069 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc3nc(C4CC4)oc3c2)[C@@H]1c1ccccc1 ZINC000189714879 823480787 /nfs/dbraw/zinc/48/07/87/823480787.db2.gz RXZWHZDUOVSUGX-ICSRJNTNSA-N 1 1 376.460 4.272 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000177525500 823482417 /nfs/dbraw/zinc/48/24/17/823482417.db2.gz IKDWHQPZJCQHEQ-INIZCTEOSA-N 1 1 386.471 4.209 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029701256 820500618 /nfs/dbraw/zinc/50/06/18/820500618.db2.gz NJYFFSSWCAAMEF-CTNGQTDRSA-N 1 1 398.466 4.069 20 0 GIADMO Cc1cccc(C)c1NCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460697111 823484193 /nfs/dbraw/zinc/48/41/93/823484193.db2.gz WSNGSBSPCZWRNA-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO Cc1cccc(C)c1NCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460697111 823484195 /nfs/dbraw/zinc/48/41/95/823484195.db2.gz WSNGSBSPCZWRNA-UHFFFAOYSA-N 1 1 385.939 4.103 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000573360241 823484438 /nfs/dbraw/zinc/48/44/38/823484438.db2.gz HDNGAWYKBMBRGE-QGZVFWFLSA-N 1 1 381.432 4.057 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000573360241 823484441 /nfs/dbraw/zinc/48/44/41/823484441.db2.gz HDNGAWYKBMBRGE-QGZVFWFLSA-N 1 1 381.432 4.057 20 0 GIADMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1-c1ncco1 ZINC000189735683 823484514 /nfs/dbraw/zinc/48/45/14/823484514.db2.gz VTCILKHBMLOEIA-WOJBJXKFSA-N 1 1 376.460 4.217 20 0 GIADMO Cc1ccc(-c2cc(C[N@@H+]3CCCN(C(=O)c4cccc(F)c4)CC3)on2)cc1 ZINC000029719496 820506680 /nfs/dbraw/zinc/50/66/80/820506680.db2.gz JCDOGZHRSDIBSS-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO Cc1ccc(-c2cc(C[N@H+]3CCCN(C(=O)c4cccc(F)c4)CC3)on2)cc1 ZINC000029719496 820506688 /nfs/dbraw/zinc/50/66/88/820506688.db2.gz JCDOGZHRSDIBSS-UHFFFAOYSA-N 1 1 393.462 4.137 20 0 GIADMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCc3ccccc3)CC2)c(OC)c1 ZINC000029808120 820522308 /nfs/dbraw/zinc/52/23/08/820522308.db2.gz LUPWBMRKLUFIEO-GOSISDBHSA-N 1 1 396.531 4.376 20 0 GIADMO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825897 820525634 /nfs/dbraw/zinc/52/56/34/820525634.db2.gz GASBGKXLDPFQFL-QWFCFKBJSA-N 1 1 391.515 4.316 20 0 GIADMO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825504 820525737 /nfs/dbraw/zinc/52/57/37/820525737.db2.gz QPFXFYGQYDPWMR-IEBWSBKVSA-N 1 1 389.499 4.375 20 0 GIADMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029828827 820527710 /nfs/dbraw/zinc/52/77/10/820527710.db2.gz YPBHSRGOQJLSEZ-DOTOQJQBSA-N 1 1 395.528 4.042 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(Cl)nc2ccccc21 ZINC000029839316 820529418 /nfs/dbraw/zinc/52/94/18/820529418.db2.gz BPTPHVZSZOYCJX-UHFFFAOYSA-N 1 1 379.891 4.066 20 0 GIADMO O=C(CSCc1cccc(Cl)c1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029838421 820529582 /nfs/dbraw/zinc/52/95/82/820529582.db2.gz QDIXPNTYTFKDMK-UHFFFAOYSA-N 1 1 388.964 4.138 20 0 GIADMO C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1 ZINC000029843748 820531415 /nfs/dbraw/zinc/53/14/15/820531415.db2.gz LECGUXXFVQYYKN-SFHVURJKSA-N 1 1 391.515 4.053 20 0 GIADMO C[N@H+](CCCOc1ccccc1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000029854615 820532937 /nfs/dbraw/zinc/53/29/37/820532937.db2.gz LDGKPGXOVKKAGM-UHFFFAOYSA-N 1 1 382.533 4.053 20 0 GIADMO C[N@@H+](CCCOc1ccccc1)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000029854615 820532945 /nfs/dbraw/zinc/53/29/45/820532945.db2.gz LDGKPGXOVKKAGM-UHFFFAOYSA-N 1 1 382.533 4.053 20 0 GIADMO O=C([C@@H]1CC1(Cl)Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029874935 820537931 /nfs/dbraw/zinc/53/79/31/820537931.db2.gz ZFHUNEKOJPGACP-SFHVURJKSA-N 1 1 389.326 4.114 20 0 GIADMO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000123262333 823487501 /nfs/dbraw/zinc/48/75/01/823487501.db2.gz HLQOTCQLBNTHLW-QRWLVFNGSA-N 1 1 381.501 4.248 20 0 GIADMO CC[C@@H](CNC(=O)c1c(C)onc1-c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000029907987 820545451 /nfs/dbraw/zinc/54/54/51/820545451.db2.gz BCTIDIOVZSDEAW-NRFANRHFSA-N 1 1 389.499 4.217 20 0 GIADMO Cn1c2ccccc2cc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1=O ZINC000573401165 823488042 /nfs/dbraw/zinc/48/80/42/823488042.db2.gz YGGNIHQJIYVWRV-QGZVFWFLSA-N 1 1 378.369 4.461 20 0 GIADMO O=C(c1c[nH]c2ccccc21)[C@H]([NH2+]CCOCC(F)(F)F)c1ccccc1 ZINC000030006476 820567635 /nfs/dbraw/zinc/56/76/35/820567635.db2.gz SYHDPJSHNQMBBF-GOSISDBHSA-N 1 1 376.378 4.260 20 0 GIADMO COc1ccccc1[C@H](C)NC(=O)[C@H](C)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000030007466 820567749 /nfs/dbraw/zinc/56/77/49/820567749.db2.gz MPBUGEOBRBMQSB-ROUUACIJSA-N 1 1 381.520 4.363 20 0 GIADMO CC[C@H](C)Oc1ccccc1/C=C\c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000573405893 823489067 /nfs/dbraw/zinc/48/90/67/823489067.db2.gz IJLQFPSVJMUPBD-ZPRHPUHPSA-N 1 1 383.492 4.343 20 0 GIADMO CC[C@H](C)Oc1ccccc1/C=C\c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000573405893 823489072 /nfs/dbraw/zinc/48/90/72/823489072.db2.gz IJLQFPSVJMUPBD-ZPRHPUHPSA-N 1 1 383.492 4.343 20 0 GIADMO COc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000189783996 823493642 /nfs/dbraw/zinc/49/36/42/823493642.db2.gz AKBIZJFRSRYGBR-WIYYLYMNSA-N 1 1 383.492 4.049 20 0 GIADMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(C)C)cc2)cc1 ZINC000030148828 820578943 /nfs/dbraw/zinc/57/89/43/820578943.db2.gz NHDDFKJZGVKARB-KRWDZBQOSA-N 1 1 397.519 4.252 20 0 GIADMO COc1cccc2cc(C(=O)N3c4ccc(C)cc4[C@H]4C[N@H+](C)CC[C@@H]43)oc21 ZINC000123307165 823494007 /nfs/dbraw/zinc/49/40/07/823494007.db2.gz FWQZMNXSMIQTLY-MJGOQNOKSA-N 1 1 376.456 4.198 20 0 GIADMO C[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000460724222 823495394 /nfs/dbraw/zinc/49/53/94/823495394.db2.gz ZHQNZGADPPIHLV-CVEARBPZSA-N 1 1 382.470 4.364 20 0 GIADMO O=C(C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1)NCc1ccccc1F ZINC000059387383 823494613 /nfs/dbraw/zinc/49/46/13/823494613.db2.gz GKTAHOYZIZNULU-UHFFFAOYSA-N 1 1 380.385 4.125 20 0 GIADMO O=C(C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1)NCc1ccccc1F ZINC000059387383 823494615 /nfs/dbraw/zinc/49/46/15/823494615.db2.gz GKTAHOYZIZNULU-UHFFFAOYSA-N 1 1 380.385 4.125 20 0 GIADMO C[C@H](C1CC1)n1nccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189789034 823494755 /nfs/dbraw/zinc/49/47/55/823494755.db2.gz RNGIZNCSDYVTQR-XVGQJIODSA-N 1 1 387.915 4.074 20 0 GIADMO C[C@H](C1CC1)n1nccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000189789034 823494756 /nfs/dbraw/zinc/49/47/56/823494756.db2.gz RNGIZNCSDYVTQR-XVGQJIODSA-N 1 1 387.915 4.074 20 0 GIADMO COc1ccc([C@@H]([NH2+]Cc2ccnn2C)c2ccccc2)cc1Br ZINC000177559788 823491107 /nfs/dbraw/zinc/49/11/07/823491107.db2.gz FIZRQFFDARKNIT-IBGZPJMESA-N 1 1 386.293 4.070 20 0 GIADMO CC[C@@H](CNC(=O)N(Cc1ccc(F)cc1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000059308499 823491156 /nfs/dbraw/zinc/49/11/56/823491156.db2.gz PAEJIFOIWKONEE-QFIPXVFZSA-N 1 1 395.522 4.337 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000189776279 823492191 /nfs/dbraw/zinc/49/21/91/823492191.db2.gz HPKOXTNSDRKBID-CABCVRRESA-N 1 1 378.480 4.231 20 0 GIADMO C[N@@H+](CCCNC(=O)c1cc(Cl)ccc1Br)Cc1ccccc1 ZINC000030564659 820642274 /nfs/dbraw/zinc/64/22/74/820642274.db2.gz FVHDQEHDUQEFIU-UHFFFAOYSA-N 1 1 395.728 4.354 20 0 GIADMO CC(C)C[C@@H](CNCc1cn(-c2ccccc2)nc1-c1ccncc1)[NH+](C)C ZINC000030663801 820661691 /nfs/dbraw/zinc/66/16/91/820661691.db2.gz QRAFNVRZHSZDOM-QFIPXVFZSA-N 1 1 377.536 4.000 20 0 GIADMO CC(C)C[C@@H](CNCc1cn(Cc2ccccc2)nc1-c1cccnc1)[NH+](C)C ZINC000030663796 820661741 /nfs/dbraw/zinc/66/17/41/820661741.db2.gz JAVOFERESFSZHQ-QHCPKHFHSA-N 1 1 391.563 4.059 20 0 GIADMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)Cn1cc[nH+]c1C ZINC000030696877 820666626 /nfs/dbraw/zinc/66/66/26/820666626.db2.gz ROBRGFJBSAVUFW-UHFFFAOYSA-N 1 1 383.473 4.044 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000410483279 823498721 /nfs/dbraw/zinc/49/87/21/823498721.db2.gz MPZWPDSXXXOEQT-XLIONFOSSA-N 1 1 394.987 4.162 20 0 GIADMO C[N@H+](CCC(=O)Nc1cccc2ccccc21)CC(=O)Nc1ccccc1Cl ZINC000030999465 820719382 /nfs/dbraw/zinc/71/93/82/820719382.db2.gz PEMLOOJMRBCKOH-UHFFFAOYSA-N 1 1 395.890 4.392 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)CC(=O)Nc1ccccc1Cl ZINC000030999465 820719390 /nfs/dbraw/zinc/71/93/90/820719390.db2.gz PEMLOOJMRBCKOH-UHFFFAOYSA-N 1 1 395.890 4.392 20 0 GIADMO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000123348667 823500039 /nfs/dbraw/zinc/50/00/39/823500039.db2.gz YBDMIDLNCSFXLX-MGPUTAFESA-N 1 1 381.501 4.248 20 0 GIADMO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000123348432 823500048 /nfs/dbraw/zinc/50/00/48/823500048.db2.gz YBDMIDLNCSFXLX-QRWLVFNGSA-N 1 1 381.501 4.248 20 0 GIADMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460736945 823500149 /nfs/dbraw/zinc/50/01/49/823500149.db2.gz QIZUGVQUIBOSIS-UHFFFAOYSA-N 1 1 381.948 4.175 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000059989718 823504346 /nfs/dbraw/zinc/50/43/46/823504346.db2.gz APMGYKQVDKSTJI-YOEHRIQHSA-N 1 1 393.314 4.324 20 0 GIADMO CCOc1ccccc1OCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000059989804 823504390 /nfs/dbraw/zinc/50/43/90/823504390.db2.gz ZSMKBTKMXNAESN-FPOVZHCZSA-N 1 1 396.531 4.196 20 0 GIADMO CC[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1c(C)noc1C ZINC000123354943 823500759 /nfs/dbraw/zinc/50/07/59/823500759.db2.gz WQQPMOWGINSEPU-LJQANCHMSA-N 1 1 384.524 4.049 20 0 GIADMO COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000123358506 823501092 /nfs/dbraw/zinc/50/10/92/823501092.db2.gz XXDQYMLDTUUICY-INIZCTEOSA-N 1 1 378.476 4.092 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc4c(cccc4OC(F)F)[nH]3)CC2)c1 ZINC000031215348 820772217 /nfs/dbraw/zinc/77/22/17/820772217.db2.gz XXOILPRGOJNBPO-UHFFFAOYSA-N 1 1 399.441 4.036 20 0 GIADMO Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177613987 823501452 /nfs/dbraw/zinc/50/14/52/823501452.db2.gz GODTUZZFBSSRGE-QGZVFWFLSA-N 1 1 380.492 4.170 20 0 GIADMO COCCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123362826 823501606 /nfs/dbraw/zinc/50/16/06/823501606.db2.gz UFPAQSNWPYPNKV-SFHVURJKSA-N 1 1 392.503 4.100 20 0 GIADMO Cc1nc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C(F)(F)F)cs1 ZINC000189823074 823502319 /nfs/dbraw/zinc/50/23/19/823502319.db2.gz BDUFCYICFLEHAO-XJKSGUPXSA-N 1 1 386.439 4.047 20 0 GIADMO Cc1nc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C(F)(F)F)cs1 ZINC000189823074 823502323 /nfs/dbraw/zinc/50/23/23/823502323.db2.gz BDUFCYICFLEHAO-XJKSGUPXSA-N 1 1 386.439 4.047 20 0 GIADMO CCC(CC)n1ncc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000123369248 823502359 /nfs/dbraw/zinc/50/23/59/823502359.db2.gz RBYMUVBPEGXPKC-GOSISDBHSA-N 1 1 382.552 4.289 20 0 GIADMO O=C(Cc1coc2ccc3ccccc3c12)NCC[N@H+]1CCc2ccccc2C1 ZINC000031337490 820795413 /nfs/dbraw/zinc/79/54/13/820795413.db2.gz GOMJMGKWFCXKKY-UHFFFAOYSA-N 1 1 384.479 4.303 20 0 GIADMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2ccoc2)CC1 ZINC000177623925 823503246 /nfs/dbraw/zinc/50/32/46/823503246.db2.gz JGUFYQBMXLRFJG-UHFFFAOYSA-N 1 1 394.437 4.354 20 0 GIADMO COc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(OC)c2)c2ccc(C)cc2)cc1 ZINC000060089261 823507307 /nfs/dbraw/zinc/50/73/07/823507307.db2.gz SSRMCDJCPGXSMT-XMMPIXPASA-N 1 1 390.483 4.330 20 0 GIADMO COc1ccccc1NC(=O)C1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000177652043 823507514 /nfs/dbraw/zinc/50/75/14/823507514.db2.gz ADHKULSOMLSBBM-HNNXBMFYSA-N 1 1 385.508 4.392 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000060092887 823507703 /nfs/dbraw/zinc/50/77/03/823507703.db2.gz BJZXBHMKUCGDAO-INIZCTEOSA-N 1 1 388.943 4.219 20 0 GIADMO C[C@@H](NC(=O)N(Cc1c(F)cccc1F)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189866609 823508022 /nfs/dbraw/zinc/50/80/22/823508022.db2.gz GUPISOQVKOKHMA-HZPDHXFCSA-N 1 1 391.506 4.292 20 0 GIADMO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000031620163 820834870 /nfs/dbraw/zinc/83/48/70/820834870.db2.gz RCMGANSGMQHLPG-UHFFFAOYSA-N 1 1 378.451 4.454 20 0 GIADMO Fc1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)ccc1Br ZINC000177676585 823512165 /nfs/dbraw/zinc/51/21/65/823512165.db2.gz ZRTZVJHLXLSXIK-UHFFFAOYSA-N 1 1 389.272 4.011 20 0 GIADMO Fc1cc(Br)cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000177676532 823512205 /nfs/dbraw/zinc/51/22/05/823512205.db2.gz YATBDMFENHZBIF-UHFFFAOYSA-N 1 1 389.272 4.011 20 0 GIADMO Cc1sc(-c2ccco2)nc1C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000031765413 820856644 /nfs/dbraw/zinc/85/66/44/820856644.db2.gz TXYYAMNMWFYUSW-UHFFFAOYSA-N 1 1 395.528 4.368 20 0 GIADMO COc1ccc(C[N@@H+](Cc2nc([C@H](C)OC)no2)C2CCCCC2)cc1OC ZINC000177663474 823510101 /nfs/dbraw/zinc/51/01/01/823510101.db2.gz SWOXPQWFIXXFGI-HNNXBMFYSA-N 1 1 389.496 4.129 20 0 GIADMO COc1ccc(C[N@H+](Cc2nc([C@H](C)OC)no2)C2CCCCC2)cc1OC ZINC000177663474 823510105 /nfs/dbraw/zinc/51/01/05/823510105.db2.gz SWOXPQWFIXXFGI-HNNXBMFYSA-N 1 1 389.496 4.129 20 0 GIADMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000060159437 823510269 /nfs/dbraw/zinc/51/02/69/823510269.db2.gz CBAKAUUHNWQGSU-QGZVFWFLSA-N 1 1 376.422 4.490 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000177679042 823512524 /nfs/dbraw/zinc/51/25/24/823512524.db2.gz HLVHTJJTMXQXFZ-RTWAWAEBSA-N 1 1 379.504 4.356 20 0 GIADMO C[C@@H](C/N=C/c1cc(Br)ccc1O)[N@H+]1CCc2sccc2C1 ZINC000031854490 820868099 /nfs/dbraw/zinc/86/80/99/820868099.db2.gz KSYJXBBGJSYRCT-NJDFMEINSA-N 1 1 379.323 4.082 20 0 GIADMO c1coc(C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]2CCCO2)c1 ZINC000060168250 823510991 /nfs/dbraw/zinc/51/09/91/823510991.db2.gz NRZHBLQABZQCOZ-QHCPKHFHSA-N 1 1 378.472 4.435 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3COc4ccc(C)cc43)c2)cc1 ZINC000123477518 823512912 /nfs/dbraw/zinc/51/29/12/823512912.db2.gz SDDZOWROZIMTLN-QFIPXVFZSA-N 1 1 388.467 4.479 20 0 GIADMO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244134 823513147 /nfs/dbraw/zinc/51/31/47/823513147.db2.gz PVOKFZAEJYXVIH-CVEARBPZSA-N 1 1 392.952 4.197 20 0 GIADMO O=C(NCCSc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244805 823513208 /nfs/dbraw/zinc/51/32/08/823513208.db2.gz ACHXLGNUZGJPCQ-QGZVFWFLSA-N 1 1 389.590 4.052 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+](CC(C)(C)O)C1CC1 ZINC000189922740 823514293 /nfs/dbraw/zinc/51/42/93/823514293.db2.gz RKLUEVADSGFIRL-UHFFFAOYSA-N 1 1 380.960 4.419 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2)C[C@@H](C)O1 ZINC000032339791 820920173 /nfs/dbraw/zinc/92/01/73/820920173.db2.gz XQGAIVXQTZWGLL-CBGDNZLLSA-N 1 1 396.556 4.263 20 0 GIADMO C[C@H](CNC(=O)c1cccc2c3c([nH]c21)CCCC3)[N@@H+]1CCc2sccc2C1 ZINC000032429626 820942686 /nfs/dbraw/zinc/94/26/86/820942686.db2.gz SGYAJHFIPISJRI-OAHLLOKOSA-N 1 1 393.556 4.285 20 0 GIADMO C[C@H](CNC(=O)c1cccc2c3c([nH]c21)CCCC3)[N@H+]1CCc2sccc2C1 ZINC000032429626 820942690 /nfs/dbraw/zinc/94/26/90/820942690.db2.gz SGYAJHFIPISJRI-OAHLLOKOSA-N 1 1 393.556 4.285 20 0 GIADMO CC[C@@H](CNC(=O)c1ccc(Br)s1)[N@H+]1CCc2ccccc2C1 ZINC000032446089 820945769 /nfs/dbraw/zinc/94/57/69/820945769.db2.gz NALOCNZXNRQGCJ-HNNXBMFYSA-N 1 1 393.350 4.077 20 0 GIADMO CC[C@H](CNC(=O)c1cc(-c2csc(C)n2)c[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000032446832 820945802 /nfs/dbraw/zinc/94/58/02/820945802.db2.gz HXUAWQUTIBPQPD-LJQANCHMSA-N 1 1 394.544 4.013 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000177725044 823517210 /nfs/dbraw/zinc/51/72/10/823517210.db2.gz YKULNWGTMAFYGF-MSOLQXFVSA-N 1 1 385.508 4.209 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)nc1 ZINC000177739005 823518742 /nfs/dbraw/zinc/51/87/42/823518742.db2.gz CVSKLHPQBUTBLO-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)nc1 ZINC000177739005 823518743 /nfs/dbraw/zinc/51/87/43/823518743.db2.gz CVSKLHPQBUTBLO-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000060395537 823523619 /nfs/dbraw/zinc/52/36/19/823523619.db2.gz ZEQWKRPWJXGFGM-UHFFFAOYSA-N 1 1 385.527 4.426 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1sc(-c2ccccc2)nc1C)[NH+](C)C ZINC000032694672 820992975 /nfs/dbraw/zinc/99/29/75/820992975.db2.gz 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385.870 4.383 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3nc(-c4ccco4)no3)cc2)C1 ZINC000060547844 823540828 /nfs/dbraw/zinc/54/08/28/823540828.db2.gz UNPYBVFKHBUQGV-MRXNPFEDSA-N 1 1 394.475 4.133 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(-c3ccsc3)nc2C)c1 ZINC000123744578 823536736 /nfs/dbraw/zinc/53/67/36/823536736.db2.gz AMEHRUCTJWDUPL-UHFFFAOYSA-N 1 1 375.457 4.260 20 0 GIADMO CN1CC[NH+](Cc2ccc(NC(=O)c3sccc3-c3ccccc3)cc2)CC1 ZINC000060547402 823540870 /nfs/dbraw/zinc/54/08/70/823540870.db2.gz WHDUELYVKRTARR-UHFFFAOYSA-N 1 1 391.540 4.415 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)C1 ZINC000177856779 823537127 /nfs/dbraw/zinc/53/71/27/823537127.db2.gz VXMSKBJQPLSWBH-PMACEKPBSA-N 1 1 379.548 4.190 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)CC2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123758899 823538043 /nfs/dbraw/zinc/53/80/43/823538043.db2.gz IKSUYSBODWACQF-BEFAXECRSA-N 1 1 384.948 4.121 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1N(C)C(=O)c1cccs1 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CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000042329044 821300837 /nfs/dbraw/zinc/30/08/37/821300837.db2.gz QACSIOMBRFALQM-MRXNPFEDSA-N 1 1 384.520 4.288 20 0 GIADMO COc1ccc(C[N@@H+](C)CCCc2nc(-c3ccc(C)c(F)c3)no2)cc1OC ZINC000042328951 821301248 /nfs/dbraw/zinc/30/12/48/821301248.db2.gz KIYUNOBXYKBLLS-UHFFFAOYSA-N 1 1 399.466 4.266 20 0 GIADMO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)Nc1cccc(F)c1 ZINC000042742841 821329975 /nfs/dbraw/zinc/32/99/75/821329975.db2.gz CPIRKCCERPWSMC-UHFFFAOYSA-N 1 1 387.842 4.438 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1SCc1cscn1 ZINC000043118099 821363619 /nfs/dbraw/zinc/36/36/19/821363619.db2.gz ZYMHSKSAPWRSJN-INIZCTEOSA-N 1 1 389.590 4.430 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000180626944 821374094 /nfs/dbraw/zinc/37/40/94/821374094.db2.gz DLVIIGNGZNGRHY-ZDUSSCGKSA-N 1 1 381.293 4.140 20 0 GIADMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000180626944 821374105 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20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccc2)cs1 ZINC000180773211 821447232 /nfs/dbraw/zinc/44/72/32/821447232.db2.gz ZMVPTHWKZBKRBJ-LJQANCHMSA-N 1 1 399.947 4.159 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccc2)cs1 ZINC000180773196 821447250 /nfs/dbraw/zinc/44/72/50/821447250.db2.gz ZMVPTHWKZBKRBJ-IBGZPJMESA-N 1 1 399.947 4.159 20 0 GIADMO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043732134 821449376 /nfs/dbraw/zinc/44/93/76/821449376.db2.gz KYWUZSSTWBKKAZ-UHFFFAOYSA-N 1 1 387.527 4.395 20 0 GIADMO Cc1ccc(C[C@H](C)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000180797243 821463902 /nfs/dbraw/zinc/46/39/02/821463902.db2.gz CAPJSFAFPQXYQB-KRWDZBQOSA-N 1 1 386.486 4.233 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180801664 821465814 /nfs/dbraw/zinc/46/58/14/821465814.db2.gz ZTYUADFWJJOJET-MRXNPFEDSA-N 1 1 393.388 4.268 20 0 GIADMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccccc2Nc2ccccc2)CC1 ZINC000180801618 821466052 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392.507 4.166 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)n2)cc1 ZINC000180848728 821493568 /nfs/dbraw/zinc/49/35/68/821493568.db2.gz KEUYTAIGYOLQSS-GOSISDBHSA-N 1 1 392.507 4.166 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)n2)cc1 ZINC000180848728 821493575 /nfs/dbraw/zinc/49/35/75/821493575.db2.gz KEUYTAIGYOLQSS-GOSISDBHSA-N 1 1 392.507 4.166 20 0 GIADMO COc1ccc2cc(CNC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccc2c1 ZINC000180861935 821500221 /nfs/dbraw/zinc/50/02/21/821500221.db2.gz BEIYQFVJVFZXSC-UTKZUKDTSA-N 1 1 395.547 4.301 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863781 821501110 /nfs/dbraw/zinc/50/11/10/821501110.db2.gz UPSNJEJGJSJQKH-ROUUACIJSA-N 1 1 395.551 4.251 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863781 821501113 /nfs/dbraw/zinc/50/11/13/821501113.db2.gz UPSNJEJGJSJQKH-ROUUACIJSA-N 1 1 395.551 4.251 20 0 GIADMO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000180868489 821503723 /nfs/dbraw/zinc/50/37/23/821503723.db2.gz DQBIUMMMARFOBW-DENIHFKCSA-N 1 1 375.516 4.110 20 0 GIADMO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(Br)c(O)c1 ZINC000180869072 821504351 /nfs/dbraw/zinc/50/43/51/821504351.db2.gz LOLXZFKIUWSQJH-UHFFFAOYSA-N 1 1 389.293 4.045 20 0 GIADMO Clc1cccc(-c2noc(CCNC3CC[NH+](C4CCCCC4)CC3)n2)c1 ZINC000180902792 821526623 /nfs/dbraw/zinc/52/66/23/821526623.db2.gz DFHVZHVETMFADD-UHFFFAOYSA-N 1 1 388.943 4.319 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180930115 821544072 /nfs/dbraw/zinc/54/40/72/821544072.db2.gz JASPBBZCTIQGQV-GOSISDBHSA-N 1 1 384.487 4.192 20 0 GIADMO CC(C)c1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)nn1C(C)(C)C ZINC000044310809 821567731 /nfs/dbraw/zinc/56/77/31/821567731.db2.gz NVSKNYKQDKIXSQ-LJQANCHMSA-N 1 1 386.540 4.312 20 0 GIADMO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000180999610 821585108 /nfs/dbraw/zinc/58/51/08/821585108.db2.gz CIKWBOWLZDBRDJ-CQSZACIVSA-N 1 1 394.346 4.136 20 0 GIADMO CNC(=O)Cc1nc(C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)cs1 ZINC000181036382 821605030 /nfs/dbraw/zinc/60/50/30/821605030.db2.gz FLURLRBDYZTAHE-LJQANCHMSA-N 1 1 377.941 4.106 20 0 GIADMO O=C1[C@H]([NH2+]Cc2cccnc2Cl)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000181057548 821613774 /nfs/dbraw/zinc/61/37/74/821613774.db2.gz OQZKPOLWNBMBMZ-MRXNPFEDSA-N 1 1 397.828 4.035 20 0 GIADMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000181084123 821624638 /nfs/dbraw/zinc/62/46/38/821624638.db2.gz AXVJUKXMRFEMOV-OCCSQVGLSA-N 1 1 395.334 4.042 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CCCn1ccnc1 ZINC000181114350 821641549 /nfs/dbraw/zinc/64/15/49/821641549.db2.gz YTFIMVUMTBXUNC-GOSISDBHSA-N 1 1 378.476 4.025 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(F)cc1 ZINC000181119863 821644844 /nfs/dbraw/zinc/64/48/44/821644844.db2.gz JJXJPYYXXOREQK-MRXNPFEDSA-N 1 1 391.397 4.064 20 0 GIADMO CC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000044756054 821654416 /nfs/dbraw/zinc/65/44/16/821654416.db2.gz FLKUXZMCNWUFEN-HDICACEKSA-N 1 1 393.531 4.053 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nnc(-c5ccccc5)n4C)C3)nc2c1 ZINC000181141991 821660141 /nfs/dbraw/zinc/66/01/41/821660141.db2.gz RPLWMKHSEHNIHD-GOSISDBHSA-N 1 1 386.503 4.046 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4nnc(-c5ccccc5)n4C)C3)nc2c1 ZINC000181141991 821660145 /nfs/dbraw/zinc/66/01/45/821660145.db2.gz RPLWMKHSEHNIHD-GOSISDBHSA-N 1 1 386.503 4.046 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4nnc(-c5ccccc5)n4C)C3)[nH]c2c1 ZINC000181141991 821660153 /nfs/dbraw/zinc/66/01/53/821660153.db2.gz RPLWMKHSEHNIHD-GOSISDBHSA-N 1 1 386.503 4.046 20 0 GIADMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nnc(-c5ccccc5)n4C)C3)[nH]c2c1 ZINC000181141991 821660161 /nfs/dbraw/zinc/66/01/61/821660161.db2.gz RPLWMKHSEHNIHD-GOSISDBHSA-N 1 1 386.503 4.046 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccn1 ZINC000181143582 821661550 /nfs/dbraw/zinc/66/15/50/821661550.db2.gz FIJIQBRYOJUTGS-SNVBAGLBSA-N 1 1 391.315 4.409 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)n2)ccc1C ZINC000181203202 821694688 /nfs/dbraw/zinc/69/46/88/821694688.db2.gz IDGDRJVHANUCCB-YLJYHZDGSA-N 1 1 393.487 4.311 20 0 GIADMO COc1ccc(-c2cnc(C[NH2+][C@H](C)c3ccc(N4CCOC4=O)cc3)o2)cc1 ZINC000181270168 821726207 /nfs/dbraw/zinc/72/62/07/821726207.db2.gz WWLNTBRHQRKGBQ-OAHLLOKOSA-N 1 1 393.443 4.158 20 0 GIADMO COc1ccc(C[N@H+](Cn2nc(C(F)F)n(C)c2=S)[C@H](C)C2CC2)cc1 ZINC000181332709 821765336 /nfs/dbraw/zinc/76/53/36/821765336.db2.gz GDKOWXHWNPFSTP-GFCCVEGCSA-N 1 1 382.480 4.155 20 0 GIADMO COc1ccc(C[N@@H+](Cn2nc(C(F)F)n(C)c2=S)[C@H](C)C2CC2)cc1 ZINC000181332709 821765340 /nfs/dbraw/zinc/76/53/40/821765340.db2.gz GDKOWXHWNPFSTP-GFCCVEGCSA-N 1 1 382.480 4.155 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181339262 821770225 /nfs/dbraw/zinc/77/02/25/821770225.db2.gz JVOYYPZDBZGXFH-CVEARBPZSA-N 1 1 376.460 4.275 20 0 GIADMO C[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181355980 821783246 /nfs/dbraw/zinc/78/32/46/821783246.db2.gz NRIUBAJTPAPQCU-HNNXBMFYSA-N 1 1 379.435 4.458 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3ccc(Cl)c(OC(F)F)c3)CC2)[nH+]c1 ZINC000181382376 821797555 /nfs/dbraw/zinc/79/75/55/821797555.db2.gz BAQXBOATEJAJFW-UHFFFAOYSA-N 1 1 395.837 4.500 20 0 GIADMO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1OC(F)F ZINC000181391949 821802711 /nfs/dbraw/zinc/80/27/11/821802711.db2.gz DEUYQJUARKJAEJ-IAQYHMDHSA-N 1 1 386.236 4.435 20 0 GIADMO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ncc(Br)s2)n1 ZINC000181402376 821808019 /nfs/dbraw/zinc/80/80/19/821808019.db2.gz KORJQSBXWHMOIX-GFCCVEGCSA-N 1 1 377.311 4.251 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)c(Br)c1 ZINC000181404023 821808575 /nfs/dbraw/zinc/80/85/75/821808575.db2.gz CGXVSNONBUGUPR-LBPRGKRZSA-N 1 1 378.266 4.080 20 0 GIADMO CC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(F)cc(Br)c1 ZINC000181408947 821810354 /nfs/dbraw/zinc/81/03/54/821810354.db2.gz UOYHCBYUSRXEAB-HNNXBMFYSA-N 1 1 381.293 4.147 20 0 GIADMO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000181413035 821812589 /nfs/dbraw/zinc/81/25/89/821812589.db2.gz GXVRYYNACCCZGJ-FEHORTKBSA-N 1 1 387.593 4.146 20 0 GIADMO CCn1c2ccc(F)cc2nc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000181414086 821813104 /nfs/dbraw/zinc/81/31/04/821813104.db2.gz PBDXBAFQCQCOLL-OAHLLOKOSA-N 1 1 380.467 4.173 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 ZINC000181423508 821818991 /nfs/dbraw/zinc/81/89/91/821818991.db2.gz IMCRHLRTGRTPBC-HNNXBMFYSA-N 1 1 389.229 4.187 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)o1 ZINC000181431933 821823499 /nfs/dbraw/zinc/82/34/99/821823499.db2.gz KWSDICZBSPQIDC-HZPDHXFCSA-N 1 1 387.549 4.023 20 0 GIADMO COc1ccccc1[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)c1ccco1 ZINC000181431995 821824277 /nfs/dbraw/zinc/82/42/77/821824277.db2.gz SLEOOHSZGCNGNJ-XOBRGWDASA-N 1 1 399.878 4.433 20 0 GIADMO C[C@H](NC(=O)CSCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181449960 821831300 /nfs/dbraw/zinc/83/13/00/821831300.db2.gz HXDGCQQFXRPMRP-RDJZCZTQSA-N 1 1 380.985 4.342 20 0 GIADMO CCCOc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OCC ZINC000181483290 821846671 /nfs/dbraw/zinc/84/66/71/821846671.db2.gz PLFYYHAOIFNFLF-MJGOQNOKSA-N 1 1 388.552 4.257 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)c1 ZINC000181487155 821848732 /nfs/dbraw/zinc/84/87/32/821848732.db2.gz OEBBJOZZOOWLEC-QHCPKHFHSA-N 1 1 397.478 4.280 20 0 GIADMO C[C@@H]1CC(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000181492665 821851334 /nfs/dbraw/zinc/85/13/34/821851334.db2.gz ISVRLGJRPISJDV-ZIAGYGMSSA-N 1 1 399.362 4.278 20 0 GIADMO CC[C@@H](SC)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181496892 821853904 /nfs/dbraw/zinc/85/39/04/821853904.db2.gz UURNATOHJLBQCM-MRXNPFEDSA-N 1 1 375.365 4.216 20 0 GIADMO O=C(CCC1CCOCC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181496718 821853965 /nfs/dbraw/zinc/85/39/65/821853965.db2.gz JDPUUZINEVSOGN-UHFFFAOYSA-N 1 1 399.362 4.281 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181503564 821856387 /nfs/dbraw/zinc/85/63/87/821856387.db2.gz TWTMLNCGDLUFJF-PKOBYXMFSA-N 1 1 379.548 4.163 20 0 GIADMO C[C@@H](NC(=O)CCc1cccc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181507456 821859175 /nfs/dbraw/zinc/85/91/75/821859175.db2.gz KTQYAQJPRDDQLR-NVXWUHKLSA-N 1 1 393.369 4.151 20 0 GIADMO C[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181512004 821861609 /nfs/dbraw/zinc/86/16/09/821861609.db2.gz POLUVACMRCPVPD-NVXWUHKLSA-N 1 1 398.469 4.287 20 0 GIADMO CC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2Br)c1 ZINC000181517405 821863820 /nfs/dbraw/zinc/86/38/20/821863820.db2.gz ZNNBQSSJVUFVQS-UHFFFAOYSA-N 1 1 389.293 4.115 20 0 GIADMO CCCc1ccc(C(=O)CCC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000181518377 821864120 /nfs/dbraw/zinc/86/41/20/821864120.db2.gz BJRLUBXNTAGHHJ-GHTZIAJQSA-N 1 1 384.564 4.371 20 0 GIADMO Cn1ncc(C[NH2+]C(C)(C)c2ccccc2Br)c1C(F)(F)F ZINC000181524353 821866062 /nfs/dbraw/zinc/86/60/62/821866062.db2.gz PXBQMRDWZASNPC-UHFFFAOYSA-N 1 1 376.220 4.226 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)s2)o1 ZINC000181528677 821867235 /nfs/dbraw/zinc/86/72/35/821867235.db2.gz HSMIOPLQHKWEDM-GDBMZVCRSA-N 1 1 387.549 4.403 20 0 GIADMO CCCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181533444 821870535 /nfs/dbraw/zinc/87/05/35/821870535.db2.gz HASVANKQLLYCNR-IEBWSBKVSA-N 1 1 388.552 4.257 20 0 GIADMO C[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1ncc(Br)s1 ZINC000181540131 821873398 /nfs/dbraw/zinc/87/33/98/821873398.db2.gz YWBLPZUGRMUDKF-MRVPVSSYSA-N 1 1 396.232 4.049 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc(O)c1 ZINC000181570322 821884172 /nfs/dbraw/zinc/88/41/72/821884172.db2.gz QFNYBOSXJIMXCM-NSHDSACASA-N 1 1 389.427 4.083 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@H]2CCCC[C@H]2O)c1 ZINC000181592469 821893768 /nfs/dbraw/zinc/89/37/68/821893768.db2.gz ULRIJBOVTNGSAD-UYAOXDASSA-N 1 1 384.524 4.070 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)n1 ZINC000181601458 821898140 /nfs/dbraw/zinc/89/81/40/821898140.db2.gz RAUWBMWVQBCMRP-ABAIWWIYSA-N 1 1 399.438 4.418 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)C2CC2)n1 ZINC000181602375 821898692 /nfs/dbraw/zinc/89/86/92/821898692.db2.gz QOBDJFBZBJBYJH-ABAIWWIYSA-N 1 1 381.448 4.121 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)cc1 ZINC000181624215 821909028 /nfs/dbraw/zinc/90/90/28/821909028.db2.gz ONYULHDMJYZFQM-FQEVSTJZSA-N 1 1 389.446 4.239 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000181625518 821909579 /nfs/dbraw/zinc/90/95/79/821909579.db2.gz GCLCATUPJHZSEH-FQEVSTJZSA-N 1 1 389.446 4.239 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1F ZINC000181637548 821916486 /nfs/dbraw/zinc/91/64/86/821916486.db2.gz HKVLYJKDSUKGLV-IBGZPJMESA-N 1 1 377.822 4.113 20 0 GIADMO Cc1nc(C[NH2+]C(C)(C)COc2ncccc2C(F)(F)F)nc2ccccc12 ZINC000181656655 821926147 /nfs/dbraw/zinc/92/61/47/821926147.db2.gz CQPDARWCDLRTGH-UHFFFAOYSA-N 1 1 390.409 4.299 20 0 GIADMO COc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1-c1ccccn1 ZINC000181657268 821926986 /nfs/dbraw/zinc/92/69/86/821926986.db2.gz AFBNVHGMWJZONT-HKUYNNGSSA-N 1 1 393.531 4.140 20 0 GIADMO C[C@H](NC(=O)c1ccc(OCc2ccccc2)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181659194 821927580 /nfs/dbraw/zinc/92/75/80/821927580.db2.gz GQEPEWIEFLZLTE-RXVVDRJESA-N 1 1 393.531 4.043 20 0 GIADMO CCC[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(F)cc1F ZINC000181663026 821929704 /nfs/dbraw/zinc/92/97/04/821929704.db2.gz AXPWFTYUONDYKU-QGZVFWFLSA-N 1 1 377.822 4.257 20 0 GIADMO C[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181663227 821930674 /nfs/dbraw/zinc/93/06/74/821930674.db2.gz YQCDAAKHJFPCDO-IEBWSBKVSA-N 1 1 379.504 4.257 20 0 GIADMO C[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181680481 821940523 /nfs/dbraw/zinc/94/05/23/821940523.db2.gz DNAGSRRYSQJOHG-ZIAGYGMSSA-N 1 1 385.335 4.141 20 0 GIADMO CC[C@H]([NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)c1ccc(C)cc1 ZINC000181681672 821941153 /nfs/dbraw/zinc/94/11/53/821941153.db2.gz QWHVYLSDOIDFNI-KRWDZBQOSA-N 1 1 397.475 4.312 20 0 GIADMO C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181682385 821941968 /nfs/dbraw/zinc/94/19/68/821941968.db2.gz RZUKSVXFZNGAJX-CVEARBPZSA-N 1 1 378.944 4.267 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000181713158 821956373 /nfs/dbraw/zinc/95/63/73/821956373.db2.gz CBKDORVCBTWWPU-LJQANCHMSA-N 1 1 388.527 4.005 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(OC(F)F)cc1OC(F)F ZINC000181735200 821968221 /nfs/dbraw/zinc/96/82/21/821968221.db2.gz JAVKJUCZZBOJPR-NSHDSACASA-N 1 1 387.377 4.201 20 0 GIADMO C[C@H]1C[C@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1Cc1ccccc1 ZINC000181736971 821969458 /nfs/dbraw/zinc/96/94/58/821969458.db2.gz XHRXTFBAWITPRL-NZQKXSOJSA-N 1 1 399.623 4.256 20 0 GIADMO CCC[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000181754129 821977703 /nfs/dbraw/zinc/97/77/03/821977703.db2.gz BYXXXQOUFSDKLH-SFHVURJKSA-N 1 1 387.568 4.010 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccc(N2CCCC2=O)cc1 ZINC000181764359 821982535 /nfs/dbraw/zinc/98/25/35/821982535.db2.gz IYLPFLORNQXWMY-OAHLLOKOSA-N 1 1 396.441 4.128 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccccn1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000181778102 821988407 /nfs/dbraw/zinc/98/84/07/821988407.db2.gz AFPBLTTYPYIOAW-HZPDHXFCSA-N 1 1 381.476 4.191 20 0 GIADMO CCn1c(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)nc2c1cccc2F ZINC000181826873 822008663 /nfs/dbraw/zinc/00/86/63/822008663.db2.gz AUCNYLJSYNMIBX-SFHVURJKSA-N 1 1 383.467 4.368 20 0 GIADMO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181828099 822009236 /nfs/dbraw/zinc/00/92/36/822009236.db2.gz VFOSVMULXOEPFO-HXUWFJFHSA-N 1 1 382.504 4.169 20 0 GIADMO C[C@H](CN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000181835372 822011763 /nfs/dbraw/zinc/01/17/63/822011763.db2.gz FXKWIBXLEHGVOE-VYDXJSESSA-N 1 1 392.594 4.033 20 0 GIADMO C[C@H](CN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1nccs1 ZINC000181835412 822012268 /nfs/dbraw/zinc/01/22/68/822012268.db2.gz FXKWIBXLEHGVOE-INMHGKMJSA-N 1 1 392.594 4.033 20 0 GIADMO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)n2)cc1F ZINC000181873262 822022799 /nfs/dbraw/zinc/02/27/99/822022799.db2.gz DBRICMCDFXSAAZ-HUUCEWRRSA-N 1 1 392.438 4.177 20 0 GIADMO CCO[C@H](C)c1noc(CN2CC[NH+]([C@@H](C)c3ccc(C(C)C)cc3)CC2)n1 ZINC000181921566 822036865 /nfs/dbraw/zinc/03/68/65/822036865.db2.gz UDYMCDZULJMQKS-ZWKOTPCHSA-N 1 1 386.540 4.169 20 0 GIADMO COc1cc(Br)ccc1CCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000181927610 822037946 /nfs/dbraw/zinc/03/79/46/822037946.db2.gz QSNAFSCQDRQPMN-UHFFFAOYSA-N 1 1 394.313 4.141 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(Cl)cc1F ZINC000181934272 822039547 /nfs/dbraw/zinc/03/95/47/822039547.db2.gz NJYCXZVHXUWRIO-IBGZPJMESA-N 1 1 398.931 4.216 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)C[C@H](C)c2nccs2)cc1 ZINC000181945843 822042277 /nfs/dbraw/zinc/04/22/77/822042277.db2.gz VDZSVOUEJTTWAV-LSDHHAIUSA-N 1 1 383.521 4.143 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)N3CCC[C@@H]3c3ccco3)CC[N@H+]2C2CC2)c1 ZINC000181988006 822054794 /nfs/dbraw/zinc/05/47/94/822054794.db2.gz MFTYXUUUJCLWTC-TUNNFDKTSA-N 1 1 395.503 4.113 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)CC2)[nH+]c1 ZINC000182021456 822065437 /nfs/dbraw/zinc/06/54/37/822065437.db2.gz BVGZZTNYJZBRMR-LJQANCHMSA-N 1 1 399.922 4.290 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000182021600 822065565 /nfs/dbraw/zinc/06/55/65/822065565.db2.gz VRAFBGKZPYHVKZ-VCBZYWHSSA-N 1 1 391.357 4.029 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c(Br)c1 ZINC000182039484 822070699 /nfs/dbraw/zinc/07/06/99/822070699.db2.gz LGWTZGAKNYWUSP-ZDUSSCGKSA-N 1 1 392.293 4.470 20 0 GIADMO CCC[C@H]1CN(C(=O)c2ccc(C)c(NC(C)=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000182054699 822075922 /nfs/dbraw/zinc/07/59/22/822075922.db2.gz FVGWIKLQLCWOIX-QFIPXVFZSA-N 1 1 393.531 4.080 20 0 GIADMO Cc1cc(C)c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(Cl)n1 ZINC000182065456 822079700 /nfs/dbraw/zinc/07/97/00/822079700.db2.gz KMXUWKQXNWQKOA-YOEHRIQHSA-N 1 1 377.941 4.226 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc(Br)c1OC ZINC000182068211 822080746 /nfs/dbraw/zinc/08/07/46/822080746.db2.gz UHMWCNWIJYMKJH-ZDUSSCGKSA-N 1 1 379.298 4.444 20 0 GIADMO CCCC[N@H+](C)CC1CCN(Cc2coc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000182072501 822081967 /nfs/dbraw/zinc/08/19/67/822081967.db2.gz IFLNFQYBEAOKLG-UHFFFAOYSA-N 1 1 399.535 4.072 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(Cc2coc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000182072501 822081973 /nfs/dbraw/zinc/08/19/73/822081973.db2.gz IFLNFQYBEAOKLG-UHFFFAOYSA-N 1 1 399.535 4.072 20 0 GIADMO COCc1ccsc1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000182152737 822119608 /nfs/dbraw/zinc/11/96/08/822119608.db2.gz MUAGYJONPOXIFJ-UHFFFAOYSA-N 1 1 384.501 4.050 20 0 GIADMO COCc1ccsc1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000182152737 822119614 /nfs/dbraw/zinc/11/96/14/822119614.db2.gz MUAGYJONPOXIFJ-UHFFFAOYSA-N 1 1 384.501 4.050 20 0 GIADMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000182158786 822123267 /nfs/dbraw/zinc/12/32/67/822123267.db2.gz ZBHPCMNMMQQKMI-IBGZPJMESA-N 1 1 378.831 4.333 20 0 GIADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)c3ccccn3)[C@@H](c3ccco3)C2)cc1 ZINC000182172516 822131100 /nfs/dbraw/zinc/13/11/00/822131100.db2.gz DBCPNUTVFMLLTR-LAUBAEHRSA-N 1 1 388.471 4.012 20 0 GIADMO Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@H](C)c3ccccn3)n2)c(C)c1 ZINC000182203194 822145450 /nfs/dbraw/zinc/14/54/50/822145450.db2.gz OINXQNKRAVHOLX-MRXNPFEDSA-N 1 1 380.517 4.420 20 0 GIADMO CC(C)[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)c(F)c1 ZINC000182202676 822145512 /nfs/dbraw/zinc/14/55/12/822145512.db2.gz NNBPIUMBBINWNH-NHCUHLMSSA-N 1 1 387.474 4.224 20 0 GIADMO COc1cc(Br)ccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000182206576 822146578 /nfs/dbraw/zinc/14/65/78/822146578.db2.gz XWRXIALYKBWUEF-SFHVURJKSA-N 1 1 398.341 4.008 20 0 GIADMO COc1cc(Br)ccc1C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000182209140 822147885 /nfs/dbraw/zinc/14/78/85/822147885.db2.gz DUKDTNDWZQZLRN-NPMABZOXSA-N 1 1 396.350 4.388 20 0 GIADMO COc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000182209140 822147891 /nfs/dbraw/zinc/14/78/91/822147891.db2.gz DUKDTNDWZQZLRN-NPMABZOXSA-N 1 1 396.350 4.388 20 0 GIADMO COc1cc(Br)ccc1C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000182209178 822148640 /nfs/dbraw/zinc/14/86/40/822148640.db2.gz DUKDTNDWZQZLRN-ZAMGYDSWSA-N 1 1 396.350 4.388 20 0 GIADMO COc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000182209178 822148647 /nfs/dbraw/zinc/14/86/47/822148647.db2.gz DUKDTNDWZQZLRN-ZAMGYDSWSA-N 1 1 396.350 4.388 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(OCC4CCCC4)CC3)co2)cc1 ZINC000182223742 822154752 /nfs/dbraw/zinc/15/47/52/822154752.db2.gz NEIIYVVIEAQYAN-UHFFFAOYSA-N 1 1 398.503 4.299 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCN(CC(F)(F)F)CC2(C)C)c(C)c1 ZINC000182227613 822156277 /nfs/dbraw/zinc/15/62/77/822156277.db2.gz KBNOYFXUPXGACX-UHFFFAOYSA-N 1 1 399.501 4.289 20 0 GIADMO COc1cc([C@H](C)[NH2+]C2(c3ccccc3F)CC2)ccc1S(=O)(=O)C(F)F ZINC000182236998 822160417 /nfs/dbraw/zinc/16/04/17/822160417.db2.gz YMPBKKJWOFFRPU-LBPRGKRZSA-N 1 1 399.434 4.171 20 0 GIADMO Cc1nc([C@H](N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c2ccccc2F)no1 ZINC000182246660 822166037 /nfs/dbraw/zinc/16/60/37/822166037.db2.gz UZZDBBGNYFPPCD-RRMPHLOHSA-N 1 1 380.467 4.032 20 0 GIADMO Cc1ccc([C@@H](C)[NH2+]Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000182343353 822208899 /nfs/dbraw/zinc/20/88/99/822208899.db2.gz HRTDUJHHWDSKCO-OAHLLOKOSA-N 1 1 386.542 4.373 20 0 GIADMO O=C(Nc1ccccn1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182354365 822212204 /nfs/dbraw/zinc/21/22/04/822212204.db2.gz QPOFCDBLJRCYSB-UHFFFAOYSA-N 1 1 379.291 4.175 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1c(C)noc1C ZINC000182389417 822225545 /nfs/dbraw/zinc/22/55/45/822225545.db2.gz NFNGWKAPHVGKFB-FGZHOGPDSA-N 1 1 391.515 4.432 20 0 GIADMO CC(C)Oc1cccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182403965 822231644 /nfs/dbraw/zinc/23/16/44/822231644.db2.gz BTKDDNIIQIZDSG-CMKODMSKSA-N 1 1 387.568 4.487 20 0 GIADMO CC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)c1c(C)noc1C ZINC000182415576 822235296 /nfs/dbraw/zinc/23/52/96/822235296.db2.gz IQYXAAQIKLDABK-CQSZACIVSA-N 1 1 381.270 4.066 20 0 GIADMO Cc1c([C@@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)nnn1-c1ccc(F)cc1 ZINC000177978671 822267501 /nfs/dbraw/zinc/26/75/01/822267501.db2.gz QDNFRUMKBWDQIM-QGZVFWFLSA-N 1 1 395.526 4.406 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1c(C)noc1C ZINC000182499932 822269767 /nfs/dbraw/zinc/26/97/67/822269767.db2.gz IGPFLMPUVKMWQR-MRXNPFEDSA-N 1 1 385.464 4.012 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O)c1c(C)noc1C ZINC000182500448 822270034 /nfs/dbraw/zinc/27/00/34/822270034.db2.gz JINUZGBROQJDST-BLLLJJGKSA-N 1 1 383.448 4.308 20 0 GIADMO COc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c(OC)c1OC ZINC000182500647 822270393 /nfs/dbraw/zinc/27/03/93/822270393.db2.gz ZNRBXMKREVLBDR-INIZCTEOSA-N 1 1 377.868 4.369 20 0 GIADMO CCCOc1ccc(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1OCCC ZINC000178002923 822277891 /nfs/dbraw/zinc/27/78/91/822277891.db2.gz RLRIBNTXDKFWDH-KRWDZBQOSA-N 1 1 377.529 4.070 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000182524862 822282766 /nfs/dbraw/zinc/28/27/66/822282766.db2.gz YUBLXIDRBGRGFL-OAQYLSRUSA-N 1 1 382.504 4.013 20 0 GIADMO C[C@@H]1C[N@H+](CCCCNC(=O)N(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000182540567 822291428 /nfs/dbraw/zinc/29/14/28/822291428.db2.gz IHXTVWSEVIJDRC-BGYRXZFFSA-N 1 1 381.520 4.424 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)C1)c1ccccc1 ZINC000178042580 822295944 /nfs/dbraw/zinc/29/59/44/822295944.db2.gz ZIXDLGHACTZMPS-AWEZNQCLSA-N 1 1 393.350 4.153 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2csc(Br)c2)C1)c1ccccc1 ZINC000178042580 822295952 /nfs/dbraw/zinc/29/59/52/822295952.db2.gz ZIXDLGHACTZMPS-AWEZNQCLSA-N 1 1 393.350 4.153 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000182554339 822298914 /nfs/dbraw/zinc/29/89/14/822298914.db2.gz NMCQUTYYQMUMQM-HNNXBMFYSA-N 1 1 390.553 4.220 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@@H](c3ccc(Cl)cc3)C3CCCC3)sc2n1 ZINC000182553127 822298931 /nfs/dbraw/zinc/29/89/31/822298931.db2.gz CHIRIRLKAFZYLN-GOSISDBHSA-N 1 1 388.924 4.134 20 0 GIADMO Cc1cc(C)c(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000178048054 822299117 /nfs/dbraw/zinc/29/91/17/822299117.db2.gz CKOQRTMWSUESAN-UHFFFAOYSA-N 1 1 393.453 4.387 20 0 GIADMO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1nc(C(C)(C)C)cs1 ZINC000182624769 822327248 /nfs/dbraw/zinc/32/72/48/822327248.db2.gz NGFMQXXEWRTOIG-HRCADAONSA-N 1 1 392.613 4.454 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1)c1ccccc1 ZINC000178131474 822328001 /nfs/dbraw/zinc/32/80/01/822328001.db2.gz BQGFENKYNXCFSR-WZONZLPQSA-N 1 1 390.531 4.441 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccccc1 ZINC000182631083 822330894 /nfs/dbraw/zinc/33/08/94/822330894.db2.gz QCFYARBYGOKIPJ-GOSISDBHSA-N 1 1 379.435 4.328 20 0 GIADMO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)Nc3nnc(C(C)C)s3)oc21 ZINC000182650317 822338950 /nfs/dbraw/zinc/33/89/50/822338950.db2.gz LOMFTPPLJGJJJE-LBPRGKRZSA-N 1 1 388.493 4.096 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)c1cc(F)ccc1F ZINC000178167845 822339080 /nfs/dbraw/zinc/33/90/80/822339080.db2.gz BYNURLMCWHSBBX-OAHLLOKOSA-N 1 1 383.236 4.407 20 0 GIADMO CCCNC(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC000178176625 822343361 /nfs/dbraw/zinc/34/33/61/822343361.db2.gz MEPJHQZWLSNDPB-OAHLLOKOSA-N 1 1 391.943 4.073 20 0 GIADMO CCOC(=O)c1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)C3CCCCC3)nc(=O)c2c1C ZINC000182693865 822353090 /nfs/dbraw/zinc/35/30/90/822353090.db2.gz UVVZOBUELGITTF-QWHCGFSZSA-N 1 1 391.537 4.089 20 0 GIADMO CSc1ccc(C)c(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000178257803 822359829 /nfs/dbraw/zinc/35/98/29/822359829.db2.gz WLCIDEDFSXAQLY-HDICACEKSA-N 1 1 390.593 4.068 20 0 GIADMO C[C@@H](NC(=O)NCc1cccc(-c2ccccn2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182759851 822363375 /nfs/dbraw/zinc/36/33/75/822363375.db2.gz QCARTUNSDFVPMR-WIYYLYMNSA-N 1 1 392.547 4.201 20 0 GIADMO C[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCCCC3)c2cccc(Br)c21 ZINC000178286619 822363456 /nfs/dbraw/zinc/36/34/56/822363456.db2.gz FCGYLUSJVQQMGY-WFASDCNBSA-N 1 1 375.314 4.105 20 0 GIADMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3nnc4n3CCCCC4)s2)cc1 ZINC000178286824 822363672 /nfs/dbraw/zinc/36/36/72/822363672.db2.gz FDCNMMXATJQSEA-AWEZNQCLSA-N 1 1 397.548 4.296 20 0 GIADMO C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2ccccc2n1 ZINC000178307231 822365822 /nfs/dbraw/zinc/36/58/22/822365822.db2.gz BOYDFVGFTISKNF-SFHVURJKSA-N 1 1 375.516 4.042 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000178316890 822366622 /nfs/dbraw/zinc/36/66/22/822366622.db2.gz SVFGVHGSWRRRHT-NSHDSACASA-N 1 1 398.272 4.465 20 0 GIADMO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000453462702 822369279 /nfs/dbraw/zinc/36/92/79/822369279.db2.gz JCEGQHPUDIUSRV-QIJZPMMNSA-N 1 1 397.567 4.027 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)n1 ZINC000182828711 822374332 /nfs/dbraw/zinc/37/43/32/822374332.db2.gz HMYZZRFFUGFTFA-HNNXBMFYSA-N 1 1 376.382 4.394 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)n1 ZINC000182828711 822374335 /nfs/dbraw/zinc/37/43/35/822374335.db2.gz HMYZZRFFUGFTFA-HNNXBMFYSA-N 1 1 376.382 4.394 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182835698 822375536 /nfs/dbraw/zinc/37/55/36/822375536.db2.gz JTFCDRHXFOTJQB-SXLOBPIMSA-N 1 1 387.543 4.053 20 0 GIADMO C[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840422 822376464 /nfs/dbraw/zinc/37/64/64/822376464.db2.gz ZWCJQNMQOVFVSV-KBPBESRZSA-N 1 1 385.430 4.360 20 0 GIADMO C[C@@H](NC(=O)N1CCC(OCC2CCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182843247 822377019 /nfs/dbraw/zinc/37/70/19/822377019.db2.gz VQRNCXVEBVUROJ-UYAOXDASSA-N 1 1 391.600 4.020 20 0 GIADMO C[C@@H](NC(=O)Nc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182845821 822377642 /nfs/dbraw/zinc/37/76/42/822377642.db2.gz NDCMLEACQFOBMJ-HUUCEWRRSA-N 1 1 399.457 4.402 20 0 GIADMO Cc1ccc2c(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)cc(=O)oc2c1 ZINC000182850262 822378746 /nfs/dbraw/zinc/37/87/46/822378746.db2.gz JGKYVUBIHJXLRJ-HNNXBMFYSA-N 1 1 391.393 4.154 20 0 GIADMO O=C(Nc1ccccc1SC(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178432477 822378763 /nfs/dbraw/zinc/37/87/63/822378763.db2.gz YSYHTJRFKAFULY-CZUORRHYSA-N 1 1 381.492 4.482 20 0 GIADMO O=C(Nc1ccc2c3c(cccc31)CC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178434593 822378963 /nfs/dbraw/zinc/37/89/63/822378963.db2.gz QMUASRODZLOXLQ-AVRDEDQJSA-N 1 1 375.516 4.419 20 0 GIADMO CC[C@H](C)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccs1 ZINC000453502433 822379390 /nfs/dbraw/zinc/37/93/90/822379390.db2.gz RCXWMSRHWAHZQV-SJORKVTESA-N 1 1 387.597 4.212 20 0 GIADMO C[C@H](CC(=O)c1ccco1)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000178454273 822380560 /nfs/dbraw/zinc/38/05/60/822380560.db2.gz IZRBFTVAZTZWHS-GOSISDBHSA-N 1 1 390.483 4.303 20 0 GIADMO C[C@H](CC(=O)c1ccco1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000178454273 822380566 /nfs/dbraw/zinc/38/05/66/822380566.db2.gz IZRBFTVAZTZWHS-GOSISDBHSA-N 1 1 390.483 4.303 20 0 GIADMO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC(=O)[C@@H](C)C1CC1)CC2 ZINC000178457105 822380792 /nfs/dbraw/zinc/38/07/92/822380792.db2.gz DUVLAWIRNQHCKS-INIZCTEOSA-N 1 1 394.515 4.247 20 0 GIADMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC(=O)[C@@H](C)C1CC1)CC2 ZINC000178457105 822380796 /nfs/dbraw/zinc/38/07/96/822380796.db2.gz DUVLAWIRNQHCKS-INIZCTEOSA-N 1 1 394.515 4.247 20 0 GIADMO C[C@H](NC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182862895 822381375 /nfs/dbraw/zinc/38/13/75/822381375.db2.gz WBTLIAPGLQFAQD-FXAWDEMLSA-N 1 1 387.543 4.400 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182868900 822382589 /nfs/dbraw/zinc/38/25/89/822382589.db2.gz IGSUIMYAWSGWOF-IRXDYDNUSA-N 1 1 388.531 4.200 20 0 GIADMO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)cc1 ZINC000178485119 822384141 /nfs/dbraw/zinc/38/41/41/822384141.db2.gz YJYUHHMCBYOOTH-ZDUSSCGKSA-N 1 1 383.883 4.038 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+]Cc1sc(C)cc1Br ZINC000453564836 822385116 /nfs/dbraw/zinc/38/51/16/822385116.db2.gz BYWZOZYBDIZTGS-UHFFFAOYSA-N 1 1 386.311 4.135 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(Cl)sc1Cl ZINC000178500730 822385435 /nfs/dbraw/zinc/38/54/35/822385435.db2.gz OYCLGLLNMBWJJE-JTQLQIEISA-N 1 1 393.361 4.156 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(C)nc1Sc1ccccc1 ZINC000178505327 822386093 /nfs/dbraw/zinc/38/60/93/822386093.db2.gz MQQQUMOJRVHESQ-OAHLLOKOSA-N 1 1 380.517 4.112 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000178530274 822388469 /nfs/dbraw/zinc/38/84/69/822388469.db2.gz UMFNUCITTPABCM-WBVHZDCISA-N 1 1 389.952 4.328 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899914 822388889 /nfs/dbraw/zinc/38/88/89/822388889.db2.gz ACYHLWFNXMHHRR-STQMWFEESA-N 1 1 380.876 4.023 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182904412 822389682 /nfs/dbraw/zinc/38/96/82/822389682.db2.gz KEUXMQZRDJXSSF-GOSISDBHSA-N 1 1 396.535 4.232 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182908625 822390631 /nfs/dbraw/zinc/39/06/31/822390631.db2.gz OLIADJXOOROEIC-ZIAGYGMSSA-N 1 1 380.330 4.224 20 0 GIADMO C[C@@H](NC(=O)N1CCc2c(Cl)cccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182910192 822390936 /nfs/dbraw/zinc/39/09/36/822390936.db2.gz FPAKOGSHRVSJDN-CVEARBPZSA-N 1 1 375.944 4.061 20 0 GIADMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)ccc1-n1cncn1 ZINC000453605071 822391716 /nfs/dbraw/zinc/39/17/16/822391716.db2.gz AYIKRXTXMUWYBC-LJQANCHMSA-N 1 1 398.308 4.070 20 0 GIADMO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)ccc1-n1cncn1 ZINC000453605071 822391721 /nfs/dbraw/zinc/39/17/21/822391721.db2.gz AYIKRXTXMUWYBC-LJQANCHMSA-N 1 1 398.308 4.070 20 0 GIADMO CCOc1ccc(OCC)c(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182914895 822391852 /nfs/dbraw/zinc/39/18/52/822391852.db2.gz QBDMYRKGVCFWFC-IAGOWNOFSA-N 1 1 389.540 4.259 20 0 GIADMO CC(C)Oc1cccc(CN(C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182916959 822392316 /nfs/dbraw/zinc/39/23/16/822392316.db2.gz UWODIVLCIVKFFL-QUCCMNQESA-N 1 1 387.568 4.268 20 0 GIADMO C[C@H](NC(=O)N(CCc1cccc(F)c1)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182919347 822392801 /nfs/dbraw/zinc/39/28/01/822392801.db2.gz YUPZUPXZCRUOED-PKOBYXMFSA-N 1 1 387.543 4.195 20 0 GIADMO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000178572372 822392943 /nfs/dbraw/zinc/39/29/43/822392943.db2.gz OKKQVYPEAJKENY-MJGOQNOKSA-N 1 1 381.545 4.207 20 0 GIADMO C[C@H](NC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182927144 822394512 /nfs/dbraw/zinc/39/45/12/822394512.db2.gz LSWLGKOIQRLNCL-RDJZCZTQSA-N 1 1 395.494 4.082 20 0 GIADMO COc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(OC)cc1Cl ZINC000182949360 822398525 /nfs/dbraw/zinc/39/85/25/822398525.db2.gz OUQHFXQAVWLTQM-KGLIPLIRSA-N 1 1 395.931 4.132 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(Cc3csc(COc4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000178640104 822398687 /nfs/dbraw/zinc/39/86/87/822398687.db2.gz DDDUVQXDCJDTHT-BEFAXECRSA-N 1 1 391.968 4.292 20 0 GIADMO C[C@H](NC(=O)N(Cc1ccco1)Cc1ccco1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182952034 822398894 /nfs/dbraw/zinc/39/88/94/822398894.db2.gz ZYFAVUJIIVCQPL-ROUUACIJSA-N 1 1 385.508 4.237 20 0 GIADMO Cc1ccc(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182967125 822401106 /nfs/dbraw/zinc/40/11/06/822401106.db2.gz HRDDDMWJRKOGPG-BWAGFHJFSA-N 1 1 385.552 4.035 20 0 GIADMO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3cc(OC)c(OC)cc3C)n2)cc1 ZINC000178710726 822404694 /nfs/dbraw/zinc/40/46/94/822404694.db2.gz GDVTTZUZAKWMOD-INIZCTEOSA-N 1 1 381.476 4.057 20 0 GIADMO Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)nc2c1 ZINC000178729778 822405940 /nfs/dbraw/zinc/40/59/40/822405940.db2.gz WGIRWIYWHBECFU-RXVVDRJESA-N 1 1 397.567 4.086 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)[nH]c2c1 ZINC000178729778 822405943 /nfs/dbraw/zinc/40/59/43/822405943.db2.gz WGIRWIYWHBECFU-RXVVDRJESA-N 1 1 397.567 4.086 20 0 GIADMO Cc1ccc2nc([C@@H]3CCCN3C(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)[nH]c2c1 ZINC000178729778 822405944 /nfs/dbraw/zinc/40/59/44/822405944.db2.gz WGIRWIYWHBECFU-RXVVDRJESA-N 1 1 397.567 4.086 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000178766841 822408268 /nfs/dbraw/zinc/40/82/68/822408268.db2.gz ROZYYMDXRSBYDA-UHFFFAOYSA-N 1 1 396.466 4.464 20 0 GIADMO CCSc1ccccc1[C@@H](C)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183001786 822408949 /nfs/dbraw/zinc/40/89/49/822408949.db2.gz WBVJSAJJYJEEFR-OXQOHEQNSA-N 1 1 383.561 4.421 20 0 GIADMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1C(F)(F)F ZINC000183002757 822409218 /nfs/dbraw/zinc/40/92/18/822409218.db2.gz QILKSBJZNPTIIX-AUUYWEPGSA-N 1 1 391.437 4.328 20 0 GIADMO CC(C)c1cnc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)s1 ZINC000183004744 822409653 /nfs/dbraw/zinc/40/96/53/822409653.db2.gz ODUQFMLFWTXWIN-UHFFFAOYSA-N 1 1 393.940 4.476 20 0 GIADMO O=C(Nc1ncc(Cc2ccccc2)s1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178806072 822412234 /nfs/dbraw/zinc/41/22/34/822412234.db2.gz LHAIHSIFPBCKSX-FXAWDEMLSA-N 1 1 396.560 4.215 20 0 GIADMO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000045779062 822412630 /nfs/dbraw/zinc/41/26/30/822412630.db2.gz FLKRTBWUAAESRJ-INIZCTEOSA-N 1 1 384.524 4.007 20 0 GIADMO CCOc1cc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)ccc1OC ZINC000045789843 822414052 /nfs/dbraw/zinc/41/40/52/822414052.db2.gz LXLXGPGYEVXDTK-UHFFFAOYSA-N 1 1 385.508 4.256 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(F)cc(N3CCOCC3)c2)cc1 ZINC000183040055 822416102 /nfs/dbraw/zinc/41/61/02/822416102.db2.gz CXNGLVKNLLJOKD-INIZCTEOSA-N 1 1 380.467 4.330 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](C[C@@H](O)COCc2cccs2)CC1 ZINC000178970227 822425381 /nfs/dbraw/zinc/42/53/81/822425381.db2.gz MHUDLKYIPAJASY-GOSISDBHSA-N 1 1 382.529 4.205 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000045947524 822426161 /nfs/dbraw/zinc/42/61/61/822426161.db2.gz CEFBAIXHGIFGGF-MRXNPFEDSA-N 1 1 381.476 4.111 20 0 GIADMO C[C@@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000183114604 822426279 /nfs/dbraw/zinc/42/62/79/822426279.db2.gz XZXNXUSICSRPPR-ZNMXNXGWSA-N 1 1 399.343 4.030 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(Br)cc1F ZINC000045957583 822426901 /nfs/dbraw/zinc/42/69/01/822426901.db2.gz AVBBPEROZZQJOW-CYBMUJFWSA-N 1 1 386.309 4.364 20 0 GIADMO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000178993585 822427352 /nfs/dbraw/zinc/42/73/52/822427352.db2.gz GFHQTGPRQHWNIU-UHFFFAOYSA-N 1 1 396.922 4.212 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000178994888 822427569 /nfs/dbraw/zinc/42/75/69/822427569.db2.gz PBJHWXHUMXBXIG-LJQANCHMSA-N 1 1 391.490 4.358 20 0 GIADMO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC000183138620 822429559 /nfs/dbraw/zinc/42/95/59/822429559.db2.gz MPYRURRODOLVCO-HNNXBMFYSA-N 1 1 392.894 4.266 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000183141391 822430077 /nfs/dbraw/zinc/43/00/77/822430077.db2.gz ABXPNENTQFYICX-MYDGZIGVSA-N 1 1 386.561 4.237 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000183141412 822430097 /nfs/dbraw/zinc/43/00/97/822430097.db2.gz ABXPNENTQFYICX-NZONJTPNSA-N 1 1 386.561 4.237 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nc(CCc3ccccc3)no2)cc1 ZINC000183147985 822431186 /nfs/dbraw/zinc/43/11/86/822431186.db2.gz HLEFYSXDWNDEMA-QGZVFWFLSA-N 1 1 387.487 4.200 20 0 GIADMO CC[N@H+](CCc1nccs1)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000179037757 822432325 /nfs/dbraw/zinc/43/23/25/822432325.db2.gz LLRPQCFQVMIDIP-UHFFFAOYSA-N 1 1 389.546 4.348 20 0 GIADMO CC[N@@H+](CCc1nccs1)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000179037757 822432326 /nfs/dbraw/zinc/43/23/26/822432326.db2.gz LLRPQCFQVMIDIP-UHFFFAOYSA-N 1 1 389.546 4.348 20 0 GIADMO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1 ZINC000183165360 822434174 /nfs/dbraw/zinc/43/41/74/822434174.db2.gz IXCAFABNTDQJQR-CVEARBPZSA-N 1 1 388.895 4.082 20 0 GIADMO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1 ZINC000183165360 822434176 /nfs/dbraw/zinc/43/41/76/822434176.db2.gz IXCAFABNTDQJQR-CVEARBPZSA-N 1 1 388.895 4.082 20 0 GIADMO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000183165376 822434379 /nfs/dbraw/zinc/43/43/79/822434379.db2.gz IXCAFABNTDQJQR-HZPDHXFCSA-N 1 1 388.895 4.082 20 0 GIADMO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000183165376 822434380 /nfs/dbraw/zinc/43/43/80/822434380.db2.gz IXCAFABNTDQJQR-HZPDHXFCSA-N 1 1 388.895 4.082 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000183184510 822437498 /nfs/dbraw/zinc/43/74/98/822437498.db2.gz LMNAKESYNVQPRZ-MRXNPFEDSA-N 1 1 389.229 4.187 20 0 GIADMO FC(F)(F)c1csc([C@H]2CCC[N@@H+](Cc3cccc4c3OCCO4)C2)n1 ZINC000179092986 822437492 /nfs/dbraw/zinc/43/74/92/822437492.db2.gz ZCBVGMPCNYPOKS-ZDUSSCGKSA-N 1 1 384.423 4.313 20 0 GIADMO C[C@@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191177 822438709 /nfs/dbraw/zinc/43/87/09/822438709.db2.gz GDXWTIORQFIZDL-SFHLNBCPSA-N 1 1 396.579 4.303 20 0 GIADMO COCCOc1ccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000179105191 822438711 /nfs/dbraw/zinc/43/87/11/822438711.db2.gz ASTJAFMIYZQOFG-UHFFFAOYSA-N 1 1 399.535 4.052 20 0 GIADMO C[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191177 822438712 /nfs/dbraw/zinc/43/87/12/822438712.db2.gz GDXWTIORQFIZDL-SFHLNBCPSA-N 1 1 396.579 4.303 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cs2)cc1OC ZINC000046091805 822440661 /nfs/dbraw/zinc/44/06/61/822440661.db2.gz GMFJIYVDBVWZPW-OAHLLOKOSA-N 1 1 388.533 4.218 20 0 GIADMO C[C@H](CNC(=O)N1CC2(CCC2)[C@H]1c1ccco1)[N@@H+]1CCc2sccc2C1 ZINC000454241879 822442804 /nfs/dbraw/zinc/44/28/04/822442804.db2.gz CDQSLNIBOOCQRW-DNVCBOLYSA-N 1 1 385.533 4.025 20 0 GIADMO C[C@H](CNC(=O)N1CC2(CCC2)[C@H]1c1ccco1)[N@H+]1CCc2sccc2C1 ZINC000454241879 822442806 /nfs/dbraw/zinc/44/28/06/822442806.db2.gz CDQSLNIBOOCQRW-DNVCBOLYSA-N 1 1 385.533 4.025 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(C(F)F)c3)CC[N@H+]2C2CC2)c1 ZINC000183238554 822446389 /nfs/dbraw/zinc/44/63/89/822446389.db2.gz GTEOVJMWDLVBPH-VQTJNVASSA-N 1 1 386.442 4.341 20 0 GIADMO c1sc(COc2ccccc2)nc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179181254 822447820 /nfs/dbraw/zinc/44/78/20/822447820.db2.gz WYDNOIOXBOFPHS-DYESRHJHSA-N 1 1 383.561 4.171 20 0 GIADMO CCc1noc(C)c1CNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454276530 822448532 /nfs/dbraw/zinc/44/85/32/822448532.db2.gz USWDBTLZBDPSBD-CALCHBBNSA-N 1 1 398.551 4.023 20 0 GIADMO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ncc(Br)s1 ZINC000179189031 822448693 /nfs/dbraw/zinc/44/86/93/822448693.db2.gz QLYFUPQSTCAJNN-UKRRQHHQSA-N 1 1 380.355 4.393 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000179191070 822449045 /nfs/dbraw/zinc/44/90/45/822449045.db2.gz MLJQSZVFBDORDD-QGZVFWFLSA-N 1 1 385.939 4.500 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCSCc1ccccc1 ZINC000179192809 822449107 /nfs/dbraw/zinc/44/91/07/822449107.db2.gz DQLPXHOHBXTWJQ-KRWDZBQOSA-N 1 1 377.575 4.406 20 0 GIADMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCSCc1ccccc1 ZINC000179192809 822449108 /nfs/dbraw/zinc/44/91/08/822449108.db2.gz DQLPXHOHBXTWJQ-KRWDZBQOSA-N 1 1 377.575 4.406 20 0 GIADMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)C[C@@H]21 ZINC000454279489 822449645 /nfs/dbraw/zinc/44/96/45/822449645.db2.gz LYCLXQCOAYCUGX-APWZRJJASA-N 1 1 392.528 4.055 20 0 GIADMO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ncc(Br)s2)cc1 ZINC000179205762 822450767 /nfs/dbraw/zinc/45/07/67/822450767.db2.gz QWNLEYFKRSJHQE-LLVKDONJSA-N 1 1 382.327 4.495 20 0 GIADMO Cc1c2ccccc2oc1[C@H]([NH2+]Cc1nn2c(nc(C)cc2=O)s1)C(C)C ZINC000183270651 822451519 /nfs/dbraw/zinc/45/15/19/822451519.db2.gz KUGUPSSHYSHKFZ-GOSISDBHSA-N 1 1 382.489 4.001 20 0 GIADMO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ncc(Br)s1 ZINC000179223950 822453572 /nfs/dbraw/zinc/45/35/72/822453572.db2.gz BKDFYRPNRABAKG-ZBFHGGJFSA-N 1 1 394.382 4.121 20 0 GIADMO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ncc(Br)s1 ZINC000179223961 822453576 /nfs/dbraw/zinc/45/35/76/822453576.db2.gz BKDFYRPNRABAKG-GOEBONIOSA-N 1 1 394.382 4.121 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C1CC1 ZINC000179233552 822454891 /nfs/dbraw/zinc/45/48/91/822454891.db2.gz HBHZAEOEGRNDHH-KUHUBIRLSA-N 1 1 388.943 4.418 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CSc2ccccc21 ZINC000454317491 822457358 /nfs/dbraw/zinc/45/73/58/822457358.db2.gz PKOCFCSNJPLPCT-LJQANCHMSA-N 1 1 383.561 4.216 20 0 GIADMO O=C1CCCN1Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183351197 822462394 /nfs/dbraw/zinc/46/23/94/822462394.db2.gz VGMZLFVTZYUCAF-DEOSSOPVSA-N 1 1 389.474 4.222 20 0 GIADMO C[C@@H](CNC(=O)N(Cc1ccco1)Cc1cccs1)[N@H+]1CCCC[C@H]1C ZINC000046339021 822462715 /nfs/dbraw/zinc/46/27/15/822462715.db2.gz OROKYYUTKQSYQE-SJORKVTESA-N 1 1 375.538 4.316 20 0 GIADMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3cccc4cnccc43)C2)cc(OC)c1 ZINC000183366669 822464326 /nfs/dbraw/zinc/46/43/26/822464326.db2.gz NIKDNCAFYSTLAN-LJQANCHMSA-N 1 1 377.488 4.329 20 0 GIADMO CCOc1ccc([C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c2cccc(Cl)c2)cc1 ZINC000183381173 822466223 /nfs/dbraw/zinc/46/62/23/822466223.db2.gz YMQKPADYJKBJSF-MGPUTAFESA-N 1 1 395.952 4.241 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183383093 822466626 /nfs/dbraw/zinc/46/66/26/822466626.db2.gz FDABHMVJWIFRKB-CJNGLKHVSA-N 1 1 396.384 4.325 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183383093 822466629 /nfs/dbraw/zinc/46/66/29/822466629.db2.gz FDABHMVJWIFRKB-CJNGLKHVSA-N 1 1 396.384 4.325 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1C ZINC000454391162 822467554 /nfs/dbraw/zinc/46/75/54/822467554.db2.gz UNEYNLNNLHEJHX-UHFFFAOYSA-N 1 1 394.519 4.130 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccco1 ZINC000183392320 822467623 /nfs/dbraw/zinc/46/76/23/822467623.db2.gz HQSBIBFFEPPUDS-HOCLYGCPSA-N 1 1 387.373 4.448 20 0 GIADMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1)c1ccco1 ZINC000183392298 822467686 /nfs/dbraw/zinc/46/76/86/822467686.db2.gz HQSBIBFFEPPUDS-GOEBONIOSA-N 1 1 387.373 4.448 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2)CC1 ZINC000046404303 822470615 /nfs/dbraw/zinc/47/06/15/822470615.db2.gz NSNJNDMAKYKIQD-UHFFFAOYSA-N 1 1 393.462 4.480 20 0 GIADMO CC(C)COc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000046404292 822470699 /nfs/dbraw/zinc/47/06/99/822470699.db2.gz WMZJONXUSWCNDS-UHFFFAOYSA-N 1 1 381.520 4.116 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000454415618 822471954 /nfs/dbraw/zinc/47/19/54/822471954.db2.gz SYEGRFPDQXMWDG-FXAWDEMLSA-N 1 1 399.560 4.490 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1C1CC1 ZINC000179382327 822474435 /nfs/dbraw/zinc/47/44/35/822474435.db2.gz KVKMGCRXSMLXLQ-QGZVFWFLSA-N 1 1 395.551 4.126 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000183448578 822476506 /nfs/dbraw/zinc/47/65/06/822476506.db2.gz MTXQQFRUOVIOFQ-HOTGVXAUSA-N 1 1 377.504 4.387 20 0 GIADMO Cc1cccc(-c2noc(CN(C)CCC3CCN(c4cc[nH+]cc4)CC3)n2)c1 ZINC000179397138 822476850 /nfs/dbraw/zinc/47/68/50/822476850.db2.gz YAHSZKIPGQPEKF-UHFFFAOYSA-N 1 1 391.519 4.179 20 0 GIADMO CC[C@@H]1C[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000183459359 822478339 /nfs/dbraw/zinc/47/83/39/822478339.db2.gz WQVQPKQPYSLTLG-XZOQPEGZSA-N 1 1 392.543 4.125 20 0 GIADMO Clc1ccc(-n2cc(C[NH2+]Cc3ccc(-n4cccn4)cc3)nn2)cc1Cl ZINC000183461362 822478576 /nfs/dbraw/zinc/47/85/76/822478576.db2.gz NXJMLUUFRJFEHB-UHFFFAOYSA-N 1 1 399.285 4.050 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)ccc1F ZINC000179410522 822478855 /nfs/dbraw/zinc/47/88/55/822478855.db2.gz LODWQMFWMOCKOX-KURKYZTESA-N 1 1 386.511 4.294 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C1 ZINC000183467346 822479368 /nfs/dbraw/zinc/47/93/68/822479368.db2.gz IROKYWZWXNUSPF-CQSZACIVSA-N 1 1 383.483 4.338 20 0 GIADMO CC(C)C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C(=O)Nc1nccs1 ZINC000179436947 822482485 /nfs/dbraw/zinc/48/24/85/822482485.db2.gz PEULHTKHWOIEME-ZDUSSCGKSA-N 1 1 389.493 4.335 20 0 GIADMO O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000179438180 822483014 /nfs/dbraw/zinc/48/30/14/822483014.db2.gz AXIUDWOAIPCLAS-GOSISDBHSA-N 1 1 388.462 4.094 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1OC ZINC000183484773 822483450 /nfs/dbraw/zinc/48/34/50/822483450.db2.gz PGDVZIYNUDCMSZ-STQMWFEESA-N 1 1 394.874 4.024 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)CCNC(=O)c1ccsc1)C1CCCCC1 ZINC000046539158 822483876 /nfs/dbraw/zinc/48/38/76/822483876.db2.gz OQAFBDPWOXWMQL-UHFFFAOYSA-N 1 1 399.560 4.271 20 0 GIADMO C[C@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183486679 822484017 /nfs/dbraw/zinc/48/40/17/822484017.db2.gz WYVABGMJPVOZNZ-LSDHHAIUSA-N 1 1 378.948 4.181 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1)C(=O)OC(C)(C)C ZINC000179449473 822484749 /nfs/dbraw/zinc/48/47/49/822484749.db2.gz WPVJBCCSPLOUSE-OAHLLOKOSA-N 1 1 379.570 4.490 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C2CC2)n1 ZINC000183493724 822485395 /nfs/dbraw/zinc/48/53/95/822485395.db2.gz RBXOTESEBFCZKL-KXBFYZLASA-N 1 1 384.549 4.120 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C2CC2)n1 ZINC000183496208 822485966 /nfs/dbraw/zinc/48/59/66/822485966.db2.gz DCZQLHDFRFVGJN-HOTGVXAUSA-N 1 1 379.888 4.090 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(SC(=O)N(C)C)c2)cc1OC ZINC000183497705 822486067 /nfs/dbraw/zinc/48/60/67/822486067.db2.gz IQRLYJXKHHYYHY-ZDUSSCGKSA-N 1 1 392.496 4.467 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000179466269 822486749 /nfs/dbraw/zinc/48/67/49/822486749.db2.gz HBUZUZLKOQUYGZ-KRWDZBQOSA-N 1 1 379.504 4.421 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000179466661 822486813 /nfs/dbraw/zinc/48/68/13/822486813.db2.gz LPGHSGBKOJJCOE-MSOLQXFVSA-N 1 1 393.409 4.195 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)cc1OC ZINC000183503712 822486919 /nfs/dbraw/zinc/48/69/19/822486919.db2.gz DYTTXAMEPKUHSG-STQMWFEESA-N 1 1 394.874 4.024 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000179470273 822487483 /nfs/dbraw/zinc/48/74/83/822487483.db2.gz VJNRODMSBLCVTP-RBBKRZOGSA-N 1 1 394.519 4.238 20 0 GIADMO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583306 822488249 /nfs/dbraw/zinc/48/82/49/822488249.db2.gz UHZVYOAQECTAIE-ZDUSSCGKSA-N 1 1 382.382 4.053 20 0 GIADMO COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583306 822488251 /nfs/dbraw/zinc/48/82/51/822488251.db2.gz UHZVYOAQECTAIE-ZDUSSCGKSA-N 1 1 382.382 4.053 20 0 GIADMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000046583190 822488294 /nfs/dbraw/zinc/48/82/94/822488294.db2.gz VDTMNNWTEAAVBK-SFHVURJKSA-N 1 1 378.394 4.037 20 0 GIADMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000046583190 822488295 /nfs/dbraw/zinc/48/82/95/822488295.db2.gz VDTMNNWTEAAVBK-SFHVURJKSA-N 1 1 378.394 4.037 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)n1 ZINC000183534012 822491288 /nfs/dbraw/zinc/49/12/88/822491288.db2.gz HMGFGPHMFGAQGO-RDJZCZTQSA-N 1 1 375.925 4.341 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C2CC2)n1 ZINC000183545551 822492916 /nfs/dbraw/zinc/49/29/16/822492916.db2.gz CEHQVYWNSBBRJB-XOBRGWDASA-N 1 1 383.517 4.458 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179508614 822493168 /nfs/dbraw/zinc/49/31/68/822493168.db2.gz JXGHPEBYKWTDFV-QGZVFWFLSA-N 1 1 397.523 4.409 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179508614 822493171 /nfs/dbraw/zinc/49/31/71/822493171.db2.gz JXGHPEBYKWTDFV-QGZVFWFLSA-N 1 1 397.523 4.409 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179508614 822493174 /nfs/dbraw/zinc/49/31/74/822493174.db2.gz JXGHPEBYKWTDFV-QGZVFWFLSA-N 1 1 397.523 4.409 20 0 GIADMO Clc1ccc(-c2cc(C[N@H+]3CCC[C@H](c4nnc(C5CC5)[nH]4)C3)on2)cc1 ZINC000179510711 822493696 /nfs/dbraw/zinc/49/36/96/822493696.db2.gz DYIPDRWWFCPEPI-HNNXBMFYSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1ccc(-c2cc(C[N@@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)on2)cc1 ZINC000179510711 822493697 /nfs/dbraw/zinc/49/36/97/822493697.db2.gz DYIPDRWWFCPEPI-HNNXBMFYSA-N 1 1 383.883 4.370 20 0 GIADMO Clc1ccc(-c2cc(C[N@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)on2)cc1 ZINC000179510711 822493699 /nfs/dbraw/zinc/49/36/99/822493699.db2.gz DYIPDRWWFCPEPI-HNNXBMFYSA-N 1 1 383.883 4.370 20 0 GIADMO c1sc(Cc2ccccc2)nc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179514642 822494569 /nfs/dbraw/zinc/49/45/69/822494569.db2.gz ARYSAFTZJSDZSF-QGZVFWFLSA-N 1 1 379.533 4.109 20 0 GIADMO c1sc(Cc2ccccc2)nc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179514642 822494573 /nfs/dbraw/zinc/49/45/73/822494573.db2.gz ARYSAFTZJSDZSF-QGZVFWFLSA-N 1 1 379.533 4.109 20 0 GIADMO Cc1csc([C@H]([NH2+][C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C2CC2)n1 ZINC000183559376 822494672 /nfs/dbraw/zinc/49/46/72/822494672.db2.gz MDYDGEHTIOCUJL-JKSUJKDBSA-N 1 1 395.450 4.317 20 0 GIADMO COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000183563726 822495363 /nfs/dbraw/zinc/49/53/63/822495363.db2.gz GLLNOTPXVUOQHO-KGLIPLIRSA-N 1 1 376.522 4.404 20 0 GIADMO C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccccc1OC(F)(F)F ZINC000179522443 822496550 /nfs/dbraw/zinc/49/65/50/822496550.db2.gz KLVWMWAULLMBOG-LLVKDONJSA-N 1 1 376.325 4.475 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCC1CC(F)(F)C1 ZINC000454557414 822496555 /nfs/dbraw/zinc/49/65/55/822496555.db2.gz WISCUEIJLLJNTI-UHFFFAOYSA-N 1 1 391.462 4.146 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCC1CC(F)(F)C1 ZINC000454557414 822496558 /nfs/dbraw/zinc/49/65/58/822496558.db2.gz WISCUEIJLLJNTI-UHFFFAOYSA-N 1 1 391.462 4.146 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000183576370 822496633 /nfs/dbraw/zinc/49/66/33/822496633.db2.gz KWIVRTFVNOMLFT-HNNXBMFYSA-N 1 1 390.516 4.004 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1C ZINC000179527900 822497572 /nfs/dbraw/zinc/49/75/72/822497572.db2.gz BDVXATZIHRKFNY-UHFFFAOYSA-N 1 1 395.507 4.067 20 0 GIADMO CCn1nc(C)c(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1C ZINC000179527900 822497576 /nfs/dbraw/zinc/49/75/76/822497576.db2.gz BDVXATZIHRKFNY-UHFFFAOYSA-N 1 1 395.507 4.067 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1cccc(-n2cccn2)c1 ZINC000183586413 822497820 /nfs/dbraw/zinc/49/78/20/822497820.db2.gz ZLWUQUYQCGBDLA-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183605590 822500348 /nfs/dbraw/zinc/50/03/48/822500348.db2.gz GSXBSGXAQHSOBC-ICSRJNTNSA-N 1 1 385.483 4.299 20 0 GIADMO CN(C)[C@H](C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)c1c(F)cccc1F ZINC000183606915 822500363 /nfs/dbraw/zinc/50/03/63/822500363.db2.gz OWSFBOYXDWSCTE-IRLDBZIGSA-N 1 1 385.433 4.481 20 0 GIADMO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)s1 ZINC000183608328 822500620 /nfs/dbraw/zinc/50/06/20/822500620.db2.gz PZGLMBYHCXXFAK-UHFFFAOYSA-N 1 1 399.438 4.027 20 0 GIADMO C[N@@H+](CCCOc1ccccc1)CC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000046669657 822501562 /nfs/dbraw/zinc/50/15/62/822501562.db2.gz KGMYCNCOUZICPC-QHCPKHFHSA-N 1 1 394.540 4.355 20 0 GIADMO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000179551861 822502008 /nfs/dbraw/zinc/50/20/08/822502008.db2.gz OYLUEKFQDRMUIH-VLIAUNLRSA-N 1 1 398.869 4.365 20 0 GIADMO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000046672296 822502107 /nfs/dbraw/zinc/50/21/07/822502107.db2.gz BLQRBNARETTZPN-HXUWFJFHSA-N 1 1 391.540 4.047 20 0 GIADMO C[C@H]1C[C@H](NC(=O)N(C)Cc2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000454591396 822502473 /nfs/dbraw/zinc/50/24/73/822502473.db2.gz KDKGKQHCKHYPMT-FUHWJXTLSA-N 1 1 387.474 4.159 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccccc1OCC(=O)N(C)C ZINC000179558941 822503438 /nfs/dbraw/zinc/50/34/38/822503438.db2.gz JOPZBBSAUVQMHK-KSSFIOAISA-N 1 1 376.447 4.234 20 0 GIADMO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(F)cc1Cl ZINC000179561640 822503872 /nfs/dbraw/zinc/50/38/72/822503872.db2.gz KDPLUKNVXXLFMZ-NSHDSACASA-N 1 1 392.780 4.314 20 0 GIADMO O=C1CCCN1C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000179565984 822504541 /nfs/dbraw/zinc/50/45/41/822504541.db2.gz ZGVNVCPJSOSHAB-GOSISDBHSA-N 1 1 392.421 4.081 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000454609589 822505584 /nfs/dbraw/zinc/50/55/84/822505584.db2.gz VNOGLFZROSVSPD-KCITZHQASA-N 1 1 397.485 4.412 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183654398 822506555 /nfs/dbraw/zinc/50/65/55/822506555.db2.gz NACPSAJOHDWNRH-UONOGXRCSA-N 1 1 399.457 4.244 20 0 GIADMO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000183667327 822508103 /nfs/dbraw/zinc/50/81/03/822508103.db2.gz MPRHSAOBHXFPOI-AWEZNQCLSA-N 1 1 381.900 4.043 20 0 GIADMO CCn1ncc2ccc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H](C)C3)cc21 ZINC000454624527 822508385 /nfs/dbraw/zinc/50/83/85/822508385.db2.gz BQCGVZQQUIFRRS-GOSISDBHSA-N 1 1 391.519 4.042 20 0 GIADMO NC(=O)c1ccc(C[NH2+][C@@H](c2ccco2)c2ccc(Br)cc2)cc1 ZINC000183669202 822508483 /nfs/dbraw/zinc/50/84/83/822508483.db2.gz OOCIYXURCPGTON-GOSISDBHSA-N 1 1 385.261 4.020 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000454630340 822509285 /nfs/dbraw/zinc/50/92/85/822509285.db2.gz YNYDJVQKHCRWBW-NEPXVJNWSA-N 1 1 397.485 4.269 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2nc(Cc3ccccc3C)no2)cc1 ZINC000183675056 822509676 /nfs/dbraw/zinc/50/96/76/822509676.db2.gz RLGDDUDDTSTBHD-KRWDZBQOSA-N 1 1 387.487 4.314 20 0 GIADMO Cc1ccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1Br ZINC000179611429 822512380 /nfs/dbraw/zinc/51/23/80/822512380.db2.gz IEUMXGWQPGJNDI-UHFFFAOYSA-N 1 1 393.350 4.213 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccccc1Cl ZINC000183701936 822513898 /nfs/dbraw/zinc/51/38/98/822513898.db2.gz PIPDWYUJAAXLMP-LJQANCHMSA-N 1 1 396.940 4.204 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)CC3CCOCC3)cs2)cc1OC ZINC000179627480 822515392 /nfs/dbraw/zinc/51/53/92/822515392.db2.gz OFHQDDHJBNNPIM-UHFFFAOYSA-N 1 1 376.522 4.076 20 0 GIADMO O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183721562 822516566 /nfs/dbraw/zinc/51/65/66/822516566.db2.gz VJVRAFPDYGMBOH-IRLDBZIGSA-N 1 1 381.495 4.081 20 0 GIADMO COc1cccc(CCC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000046790083 822517457 /nfs/dbraw/zinc/51/74/57/822517457.db2.gz UFWJQMITWLYSAD-IBGZPJMESA-N 1 1 380.532 4.319 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)Nc1ccncc1 ZINC000046804363 822519021 /nfs/dbraw/zinc/51/90/21/822519021.db2.gz ACHIDQHTQFGCRL-LJQANCHMSA-N 1 1 378.501 4.064 20 0 GIADMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)Nc1ccncc1 ZINC000046804363 822519026 /nfs/dbraw/zinc/51/90/26/822519026.db2.gz ACHIDQHTQFGCRL-LJQANCHMSA-N 1 1 378.501 4.064 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)Nc1ccncc1 ZINC000046804364 822519086 /nfs/dbraw/zinc/51/90/86/822519086.db2.gz ACHIDQHTQFGCRL-IBGZPJMESA-N 1 1 378.501 4.064 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)Nc1ccncc1 ZINC000046804364 822519090 /nfs/dbraw/zinc/51/90/90/822519090.db2.gz ACHIDQHTQFGCRL-IBGZPJMESA-N 1 1 378.501 4.064 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000183739797 822519926 /nfs/dbraw/zinc/51/99/26/822519926.db2.gz VYWOQKOGCRVUBG-GFCCVEGCSA-N 1 1 382.514 4.039 20 0 GIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NCC3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000183743085 822520618 /nfs/dbraw/zinc/52/06/18/822520618.db2.gz QGOCEZWVKSFTHU-IIIMJFFVSA-N 1 1 397.485 4.165 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCO[C@H](C(CC)CC)C2)CC1 ZINC000183751494 822522187 /nfs/dbraw/zinc/52/21/87/822522187.db2.gz QXUSEXQXLPTHBE-SFTDATJTSA-N 1 1 381.605 4.124 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccccc2)cc1OC ZINC000179660671 822522193 /nfs/dbraw/zinc/52/21/93/822522193.db2.gz FWTICDWAHPVZBH-FQEVSTJZSA-N 1 1 377.488 4.441 20 0 GIADMO CCC(CC)n1nc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C ZINC000179676281 822524955 /nfs/dbraw/zinc/52/49/55/822524955.db2.gz SQKLOQWPTVUJSJ-JXFKEZNVSA-N 1 1 388.581 4.427 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)cc1OC ZINC000183765858 822525010 /nfs/dbraw/zinc/52/50/10/822525010.db2.gz QTFMWKVUNDSSIH-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000179681802 822526267 /nfs/dbraw/zinc/52/62/67/822526267.db2.gz STYBFPXFKXQTKU-AEFFLSMTSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179681802 822526270 /nfs/dbraw/zinc/52/62/70/822526270.db2.gz STYBFPXFKXQTKU-AEFFLSMTSA-N 1 1 384.524 4.202 20 0 GIADMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000179681802 822526273 /nfs/dbraw/zinc/52/62/73/822526273.db2.gz STYBFPXFKXQTKU-AEFFLSMTSA-N 1 1 384.524 4.202 20 0 GIADMO COc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccccc2Br)cc1OC ZINC000179682475 822526564 /nfs/dbraw/zinc/52/65/64/822526564.db2.gz AQMHYYLEBSNCKW-LBPRGKRZSA-N 1 1 380.282 4.365 20 0 GIADMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)c2ccccc2Br)cc1OC ZINC000179682475 822526567 /nfs/dbraw/zinc/52/65/67/822526567.db2.gz AQMHYYLEBSNCKW-LBPRGKRZSA-N 1 1 380.282 4.365 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000179699350 822530094 /nfs/dbraw/zinc/53/00/94/822530094.db2.gz WHCPBPKBXLBYRC-UHFFFAOYSA-N 1 1 387.749 4.231 20 0 GIADMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000179700654 822530420 /nfs/dbraw/zinc/53/04/20/822530420.db2.gz SREZJDOIOHGLFB-OAHLLOKOSA-N 1 1 398.251 4.144 20 0 GIADMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000179700654 822530422 /nfs/dbraw/zinc/53/04/22/822530422.db2.gz SREZJDOIOHGLFB-OAHLLOKOSA-N 1 1 398.251 4.144 20 0 GIADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000179702672 822530892 /nfs/dbraw/zinc/53/08/92/822530892.db2.gz KWQYYRASXXNXDQ-SFHVURJKSA-N 1 1 381.476 4.145 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000179702672 822530895 /nfs/dbraw/zinc/53/08/95/822530895.db2.gz KWQYYRASXXNXDQ-SFHVURJKSA-N 1 1 381.476 4.145 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)ccc1OCc1ccncc1 ZINC000179706151 822531727 /nfs/dbraw/zinc/53/17/27/822531727.db2.gz HJFKXBHAJJAXSF-KRWDZBQOSA-N 1 1 380.492 4.297 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@H](CC(C)(C)C)c3ccc(Cl)cc3)sc2n1 ZINC000179711250 822532680 /nfs/dbraw/zinc/53/26/80/822532680.db2.gz IMLRUTVJYAQXNM-OAHLLOKOSA-N 1 1 390.940 4.380 20 0 GIADMO C[C@H](NC(=O)NC[C@@H]1CSc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454780547 822532740 /nfs/dbraw/zinc/53/27/40/822532740.db2.gz XRDFCQZSEOJJAX-DFQSSKMNSA-N 1 1 395.572 4.086 20 0 GIADMO C[C@H](NC(=O)NC[C@H]1CSc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454780550 822532763 /nfs/dbraw/zinc/53/27/63/822532763.db2.gz XRDFCQZSEOJJAX-IHPCNDPISA-N 1 1 395.572 4.086 20 0 GIADMO C[C@H](c1ccc(NC(=O)N2CC(c3ccc(Cl)cc3)C2)cc1)[NH+]1CCOCC1 ZINC000454783699 822533432 /nfs/dbraw/zinc/53/34/32/822533432.db2.gz YTUFWFHTVKMYRC-MRXNPFEDSA-N 1 1 399.922 4.365 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)on1 ZINC000046952436 822533761 /nfs/dbraw/zinc/53/37/61/822533761.db2.gz SEMDJHFYZIVGBS-RDJZCZTQSA-N 1 1 387.549 4.126 20 0 GIADMO CCOc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CC[N@@H+](CC)C3)cc2)cc1 ZINC000046956702 822534122 /nfs/dbraw/zinc/53/41/22/822534122.db2.gz LHXURRGIOCZQFN-KRWDZBQOSA-N 1 1 383.492 4.341 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2SCC#N)C1 ZINC000046980760 822534903 /nfs/dbraw/zinc/53/49/03/822534903.db2.gz STQDKIAGJRCWQD-SFHVURJKSA-N 1 1 393.556 4.464 20 0 GIADMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183854531 822536387 /nfs/dbraw/zinc/53/63/87/822536387.db2.gz SDOPVIWKXZJBRD-KRWDZBQOSA-N 1 1 376.497 4.009 20 0 GIADMO C[C@@H](c1ccc(NC(=O)Nc2ccccc2OCCF)cc1)[NH+]1CCOCC1 ZINC000454800929 822536653 /nfs/dbraw/zinc/53/66/53/822536653.db2.gz GMRCALXHHPUIOA-INIZCTEOSA-N 1 1 387.455 4.072 20 0 GIADMO CCO[C@@H](CC[NH+](C)C)CN[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183863358 822537753 /nfs/dbraw/zinc/53/77/53/822537753.db2.gz UMRJUFOZPNZVEZ-HKUYNNGSSA-N 1 1 395.341 4.078 20 0 GIADMO COc1ccc(C[NH2+][C@@H](CCCO)c2ccccc2)c(Br)c1OC ZINC000179736088 822538702 /nfs/dbraw/zinc/53/87/02/822538702.db2.gz NVNYFFQWFSPJJJ-INIZCTEOSA-N 1 1 394.309 4.070 20 0 GIADMO Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)s2)cc1 ZINC000179742818 822541060 /nfs/dbraw/zinc/54/10/60/822541060.db2.gz QZMRRSXHQNWABI-INIZCTEOSA-N 1 1 387.549 4.465 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000179749414 822542205 /nfs/dbraw/zinc/54/22/05/822542205.db2.gz HDZSFCPCKZXBQY-LJQANCHMSA-N 1 1 396.531 4.320 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(F)ccc3SCC(F)F)C2)C1 ZINC000454831409 822542510 /nfs/dbraw/zinc/54/25/10/822542510.db2.gz KZKLFYSCECZLBD-SFHVURJKSA-N 1 1 387.471 4.133 20 0 GIADMO CC(=O)c1csc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000183899940 822542977 /nfs/dbraw/zinc/54/29/77/822542977.db2.gz NZEDSORXXAAFHK-OAHLLOKOSA-N 1 1 384.423 4.002 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000179754973 822543864 /nfs/dbraw/zinc/54/38/64/822543864.db2.gz QXUSDRHDZDQKMG-UHFFFAOYSA-N 1 1 375.213 4.287 20 0 GIADMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000179754973 822543867 /nfs/dbraw/zinc/54/38/67/822543867.db2.gz QXUSDRHDZDQKMG-UHFFFAOYSA-N 1 1 375.213 4.287 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000179761677 822545787 /nfs/dbraw/zinc/54/57/87/822545787.db2.gz NINSOVVXLAWWLW-QGZVFWFLSA-N 1 1 393.487 4.487 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1nccs1 ZINC000183917971 822546050 /nfs/dbraw/zinc/54/60/50/822546050.db2.gz HVZJMTSNLOBCRP-SFHVURJKSA-N 1 1 393.556 4.426 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1nccs1 ZINC000183917971 822546052 /nfs/dbraw/zinc/54/60/52/822546052.db2.gz HVZJMTSNLOBCRP-SFHVURJKSA-N 1 1 393.556 4.426 20 0 GIADMO Cc1csc(SCc2ccccc2C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000047146495 822548345 /nfs/dbraw/zinc/54/83/45/822548345.db2.gz OVPXAYSTTOQUSK-OAHLLOKOSA-N 1 1 389.590 4.206 20 0 GIADMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cnc(-c4ccncc4)s3)c2C1 ZINC000179768318 822548476 /nfs/dbraw/zinc/54/84/76/822548476.db2.gz NDOFETPYZFRDSL-UHFFFAOYSA-N 1 1 378.501 4.429 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)s1 ZINC000183931045 822549149 /nfs/dbraw/zinc/54/91/49/822549149.db2.gz MWQSROPYKCFEIF-HNNXBMFYSA-N 1 1 397.548 4.106 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1cc(F)ccc1F ZINC000179778548 822551026 /nfs/dbraw/zinc/55/10/26/822551026.db2.gz HFPOIPSOACPQIJ-SJKOYZFVSA-N 1 1 378.419 4.050 20 0 GIADMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1OC)c1cc(F)ccc1F ZINC000179785389 822552616 /nfs/dbraw/zinc/55/26/16/822552616.db2.gz BDIZDXCNVQGBTF-PXAZEXFGSA-N 1 1 378.419 4.050 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CSc1nc2ccccc2s1 ZINC000047213719 822554744 /nfs/dbraw/zinc/55/47/44/822554744.db2.gz JFRAOYGSPLFXEJ-OAHLLOKOSA-N 1 1 377.579 4.159 20 0 GIADMO CC1(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)Cc2ccccc2C1 ZINC000179808878 822557162 /nfs/dbraw/zinc/55/71/62/822557162.db2.gz PYCLUSDVXCGROE-UHFFFAOYSA-N 1 1 395.572 4.162 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000047262420 822559990 /nfs/dbraw/zinc/55/99/90/822559990.db2.gz OXOPPVZTACVZRT-UHFFFAOYSA-N 1 1 386.908 4.195 20 0 GIADMO CCCCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000047275824 822560989 /nfs/dbraw/zinc/56/09/89/822560989.db2.gz QHQBPXYQAHIGLD-UHFFFAOYSA-N 1 1 380.448 4.016 20 0 GIADMO COc1cc(-c2nc(C[N@@H+](C)C[C@H](C)c3nccs3)cs2)ccc1O ZINC000184009965 822563102 /nfs/dbraw/zinc/56/31/02/822563102.db2.gz UMHLYPYWASGPDT-LBPRGKRZSA-N 1 1 375.519 4.216 20 0 GIADMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000047305206 822563877 /nfs/dbraw/zinc/56/38/77/822563877.db2.gz HSMJPKRJOGSEJV-GOSISDBHSA-N 1 1 391.515 4.013 20 0 GIADMO O=C(NC[C@H]1CCCC1(F)F)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000454991251 822566994 /nfs/dbraw/zinc/56/69/94/822566994.db2.gz ZNQWURSHQYHVNX-RBUKOAKNSA-N 1 1 379.495 4.023 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(Br)c(Cl)c3)C2)C1 ZINC000454995626 822567557 /nfs/dbraw/zinc/56/75/57/822567557.db2.gz FAGVRUOLNSVGJN-MRXNPFEDSA-N 1 1 386.721 4.052 20 0 GIADMO O=C(Nc1ccc(F)cc1F)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047334229 822567766 /nfs/dbraw/zinc/56/77/66/822567766.db2.gz PROIEIVHOWMUHR-UHFFFAOYSA-N 1 1 381.373 4.029 20 0 GIADMO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c(C)n1Cc1ccccc1 ZINC000047385665 822573359 /nfs/dbraw/zinc/57/33/59/822573359.db2.gz SWWKZYINOZOSAM-UHFFFAOYSA-N 1 1 385.471 4.295 20 0 GIADMO CSc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000047394994 822574573 /nfs/dbraw/zinc/57/45/73/822574573.db2.gz BOKJZARNHKONRZ-UHFFFAOYSA-N 1 1 391.487 4.473 20 0 GIADMO CCc1ccnc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000179911949 822575597 /nfs/dbraw/zinc/57/55/97/822575597.db2.gz MMPVMBZUOHAVFH-UHFFFAOYSA-N 1 1 391.437 4.011 20 0 GIADMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000047405826 822575741 /nfs/dbraw/zinc/57/57/41/822575741.db2.gz BWSJWSXCMVBYNM-JTQLQIEISA-N 1 1 377.699 4.086 20 0 GIADMO Cc1cccc(Oc2ccc(NC(=O)C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2)c1 ZINC000047405502 822575760 /nfs/dbraw/zinc/57/57/60/822575760.db2.gz MIVDMQVNXMNRFF-GOSISDBHSA-N 1 1 380.488 4.227 20 0 GIADMO COc1cc(C[N@@H+]2CCOC3(CCCCC3)C2)ccc1OCc1ccncc1 ZINC000179934477 822580081 /nfs/dbraw/zinc/58/00/81/822580081.db2.gz GBACVQDIADACCS-UHFFFAOYSA-N 1 1 382.504 4.204 20 0 GIADMO COc1cc(C[N@H+]2CCOC3(CCCCC3)C2)ccc1OCc1ccncc1 ZINC000179934477 822580086 /nfs/dbraw/zinc/58/00/86/822580086.db2.gz GBACVQDIADACCS-UHFFFAOYSA-N 1 1 382.504 4.204 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)Nc3cccc(C)c3F)CC2)cs1 ZINC000179950633 822584488 /nfs/dbraw/zinc/58/44/88/822584488.db2.gz OCDQYBSLQCSPJG-UHFFFAOYSA-N 1 1 390.528 4.187 20 0 GIADMO COc1ccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(OC)c1OC ZINC000047522389 822586855 /nfs/dbraw/zinc/58/68/55/822586855.db2.gz OSBJKCCIOMXKPI-MRXNPFEDSA-N 1 1 398.503 4.339 20 0 GIADMO CC(F)(F)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455126863 822593133 /nfs/dbraw/zinc/59/31/33/822593133.db2.gz MSOMYHQPWJVNFX-OALUTQOASA-N 1 1 379.495 4.118 20 0 GIADMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3cc(-c4cccs4)on3)ccc2NC1=O ZINC000180006464 822594586 /nfs/dbraw/zinc/59/45/86/822594586.db2.gz XVEGWTVZUPQNKI-WBMJQRKESA-N 1 1 383.473 4.363 20 0 GIADMO O=C1CCCN1CCC[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000180007230 822594757 /nfs/dbraw/zinc/59/47/57/822594757.db2.gz HKJKWJAXBIEJII-HXUWFJFHSA-N 1 1 378.850 4.310 20 0 GIADMO CC(C)NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000180012214 822596241 /nfs/dbraw/zinc/59/62/41/822596241.db2.gz ATHFSMKMWUFQPZ-GOSISDBHSA-N 1 1 382.838 4.145 20 0 GIADMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc4cc(F)ccc4n3CC)ccc2NC1=O ZINC000180013562 822596650 /nfs/dbraw/zinc/59/66/50/822596650.db2.gz GMXJUMWWNDVVDT-DJJJIMSYSA-N 1 1 396.466 4.156 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000047676599 822599406 /nfs/dbraw/zinc/59/94/06/822599406.db2.gz ODFQTYPOTFIREI-UHFFFAOYSA-N 1 1 382.514 4.350 20 0 GIADMO CC[N@@H+](CCc1nccs1)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000180027302 822600089 /nfs/dbraw/zinc/60/00/89/822600089.db2.gz TVSSLTNKUQRYJP-UHFFFAOYSA-N 1 1 391.338 4.156 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCCC1(F)F ZINC000455164502 822600459 /nfs/dbraw/zinc/60/04/59/822600459.db2.gz JZMHNYSGFHBZRE-WOJBJXKFSA-N 1 1 393.522 4.366 20 0 GIADMO Cc1csc([C@@H](C)[NH2+]CC(=O)N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000184243792 822601737 /nfs/dbraw/zinc/60/17/37/822601737.db2.gz PVLJJRLUTUKWOT-LJQANCHMSA-N 1 1 393.556 4.374 20 0 GIADMO CCc1ccc(CCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000047715098 822602741 /nfs/dbraw/zinc/60/27/41/822602741.db2.gz HCGJNVXCQWTETO-UHFFFAOYSA-N 1 1 386.486 4.241 20 0 GIADMO CSCc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000047715502 822603124 /nfs/dbraw/zinc/60/31/24/822603124.db2.gz WXAQYPNHFIBHIW-UHFFFAOYSA-N 1 1 390.499 4.222 20 0 GIADMO COc1ccc(C[NH2+]Cc2cccnc2OC(C)C)cc1OCc1cccnc1 ZINC000047720933 822603854 /nfs/dbraw/zinc/60/38/54/822603854.db2.gz PFAGLZQGDRIOGE-UHFFFAOYSA-N 1 1 393.487 4.141 20 0 GIADMO COCCOc1ccc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)cn1 ZINC000047748193 822605874 /nfs/dbraw/zinc/60/58/74/822605874.db2.gz LVRGQIDQYRVSCE-UHFFFAOYSA-N 1 1 395.484 4.266 20 0 GIADMO C[C@H]([NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1nnnn1-c1ccccc1 ZINC000180061605 822606735 /nfs/dbraw/zinc/60/67/35/822606735.db2.gz LGSZFGURVMRRNA-SCLBCKFNSA-N 1 1 387.409 4.483 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c3nc(C)cs3)ccc2c1 ZINC000184274462 822607131 /nfs/dbraw/zinc/60/71/31/822607131.db2.gz OXUHJVJKCLJFCW-HOTGVXAUSA-N 1 1 397.544 4.311 20 0 GIADMO Cc1csc([C@H](C)[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000184282465 822608189 /nfs/dbraw/zinc/60/81/89/822608189.db2.gz FGSWTBONKNKTQT-BBRMVZONSA-N 1 1 397.466 4.312 20 0 GIADMO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(F)cc3F)CC[N@H+]2C2CC2)c1 ZINC000180068625 822608696 /nfs/dbraw/zinc/60/86/96/822608696.db2.gz AUGIXQFWFGUEHX-UXHICEINSA-N 1 1 387.430 4.073 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000180069896 822609217 /nfs/dbraw/zinc/60/92/17/822609217.db2.gz IXMAERBANVWMAC-GOSISDBHSA-N 1 1 375.398 4.168 20 0 GIADMO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000455238358 822615078 /nfs/dbraw/zinc/61/50/78/822615078.db2.gz ZEJXNSYWZDHKQL-KRWDZBQOSA-N 1 1 376.504 4.462 20 0 GIADMO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000184330760 822616542 /nfs/dbraw/zinc/61/65/42/822616542.db2.gz NIBDNHOWDHYHLU-IRXDYDNUSA-N 1 1 378.944 4.320 20 0 GIADMO COc1cc(-c2noc(C[N@@H+]([C@@H](C)C3CC3)C3CC3)n2)ccc1OC(F)F ZINC000047909263 822618927 /nfs/dbraw/zinc/61/89/27/822618927.db2.gz AKITUCOBTIPYCP-NSHDSACASA-N 1 1 379.407 4.110 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ncccc2C(F)(F)F)CC1 ZINC000180131791 822622430 /nfs/dbraw/zinc/62/24/30/822622430.db2.gz ONZYWSMZOYWBRI-UHFFFAOYSA-N 1 1 391.437 4.085 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000047983695 822623610 /nfs/dbraw/zinc/62/36/10/822623610.db2.gz DWZGKZOHZSTVAN-LJQANCHMSA-N 1 1 399.579 4.110 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000047983695 822623612 /nfs/dbraw/zinc/62/36/12/822623612.db2.gz DWZGKZOHZSTVAN-LJQANCHMSA-N 1 1 399.579 4.110 20 0 GIADMO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184374224 822624089 /nfs/dbraw/zinc/62/40/89/822624089.db2.gz HZIAAICMZYPVGT-MLGOLLRUSA-N 1 1 399.869 4.422 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)C1 ZINC000184379328 822625179 /nfs/dbraw/zinc/62/51/79/822625179.db2.gz RYYMJOLPAHBTRH-LBPRGKRZSA-N 1 1 375.847 4.137 20 0 GIADMO CCCc1c(NC(=O)NCCCC[N@@H+](C)C2CC2)cnn1-c1cccc(C)c1 ZINC000455279769 822625571 /nfs/dbraw/zinc/62/55/71/822625571.db2.gz YZLDOGXHDAPOKN-UHFFFAOYSA-N 1 1 383.540 4.129 20 0 GIADMO CC1CCN(c2ccc(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)cn2)CC1 ZINC000180143928 822625625 /nfs/dbraw/zinc/62/56/25/822625625.db2.gz MRFHFSNFMLIDER-QHCPKHFHSA-N 1 1 393.510 4.070 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2Br)[C@@H]1c1ccccc1 ZINC000180144425 822625772 /nfs/dbraw/zinc/62/57/72/822625772.db2.gz XCUCJCQUDMNQRG-IRXDYDNUSA-N 1 1 393.712 4.278 20 0 GIADMO O=C(NCc1nc(C[NH2+][C@@H](c2ccccc2)C2CC2)cs1)c1ccccc1 ZINC000180145257 822625942 /nfs/dbraw/zinc/62/59/42/822625942.db2.gz HWVUJRJMUMORBC-NRFANRHFSA-N 1 1 377.513 4.314 20 0 GIADMO CCCNC(=O)C1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000048052685 822627465 /nfs/dbraw/zinc/62/74/65/822627465.db2.gz DNLVOQSTVPDTBY-UHFFFAOYSA-N 1 1 391.968 4.126 20 0 GIADMO CSc1c(F)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000184396674 822628064 /nfs/dbraw/zinc/62/80/64/822628064.db2.gz FMRQVRJIMRYTQI-SJKOYZFVSA-N 1 1 381.492 4.167 20 0 GIADMO CCOC[C@@H]1CC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000180152935 822628068 /nfs/dbraw/zinc/62/80/68/822628068.db2.gz OUIRJKBHKBCBHO-GFCCVEGCSA-N 1 1 377.120 4.070 20 0 GIADMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000180152935 822628073 /nfs/dbraw/zinc/62/80/73/822628073.db2.gz OUIRJKBHKBCBHO-GFCCVEGCSA-N 1 1 377.120 4.070 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2ncccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000180154600 822628366 /nfs/dbraw/zinc/62/83/66/822628366.db2.gz UQJXHLYSCHZFLM-DOTOQJQBSA-N 1 1 391.437 4.226 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Cc2csc(-c3cccc(F)c3)n2)[C@@H]1c1ccccc1 ZINC000180159483 822629452 /nfs/dbraw/zinc/62/94/52/822629452.db2.gz BRTPFXBGBGJWPS-FPOVZHCZSA-N 1 1 395.503 4.053 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nc(C)cs1 ZINC000184406485 822629517 /nfs/dbraw/zinc/62/95/17/822629517.db2.gz VYTKEUUANKHTTO-QGZVFWFLSA-N 1 1 377.529 4.459 20 0 GIADMO Cc1c(Br)ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1F ZINC000455301095 822631006 /nfs/dbraw/zinc/63/10/06/822631006.db2.gz KXFMRVQNTUUHAB-GFCCVEGCSA-N 1 1 398.320 4.235 20 0 GIADMO Cc1c(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1N(C)C ZINC000180166678 822630975 /nfs/dbraw/zinc/63/09/75/822630975.db2.gz ZHEIUAWCGNQFTG-FQEVSTJZSA-N 1 1 380.536 4.047 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1sccc1Br)c1ccccc1Cl ZINC000048091040 822631015 /nfs/dbraw/zinc/63/10/15/822631015.db2.gz NZTQPHOTQNVMPD-ZDUSSCGKSA-N 1 1 387.730 4.197 20 0 GIADMO C[C@H](c1cnccn1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000184436140 822634851 /nfs/dbraw/zinc/63/48/51/822634851.db2.gz WXMHWFKGOIMGPG-MRXNPFEDSA-N 1 1 382.508 4.223 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1nc(C)cs1 ZINC000184437254 822635017 /nfs/dbraw/zinc/63/50/17/822635017.db2.gz QBVXCMAWSCHGQL-SFHVURJKSA-N 1 1 397.548 4.242 20 0 GIADMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000184446160 822636550 /nfs/dbraw/zinc/63/65/50/822636550.db2.gz UQNYFFNMZPAQFN-NRFANRHFSA-N 1 1 382.504 4.214 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184448797 822637219 /nfs/dbraw/zinc/63/72/19/822637219.db2.gz XTARWOITAJKVDY-HZPDHXFCSA-N 1 1 380.916 4.029 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184448797 822637223 /nfs/dbraw/zinc/63/72/23/822637223.db2.gz XTARWOITAJKVDY-HZPDHXFCSA-N 1 1 380.916 4.029 20 0 GIADMO CC[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)c1ccc2c(c1)OCCO2 ZINC000180200998 822638390 /nfs/dbraw/zinc/63/83/90/822638390.db2.gz XEDMGFQFFNUEEU-DENIHFKCSA-N 1 1 381.451 4.161 20 0 GIADMO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184456752 822638501 /nfs/dbraw/zinc/63/85/01/822638501.db2.gz WXDFWNSSUHIDNS-KKUMJFAQSA-N 1 1 389.565 4.366 20 0 GIADMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000184465949 822640794 /nfs/dbraw/zinc/64/07/94/822640794.db2.gz WCLRUMQBIIPYPT-QGZVFWFLSA-N 1 1 378.538 4.014 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184468908 822641489 /nfs/dbraw/zinc/64/14/89/822641489.db2.gz YOAAMFWUEXCTMB-RBUKOAKNSA-N 1 1 388.552 4.499 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184468908 822641490 /nfs/dbraw/zinc/64/14/90/822641490.db2.gz YOAAMFWUEXCTMB-RBUKOAKNSA-N 1 1 388.552 4.499 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000184472403 822642079 /nfs/dbraw/zinc/64/20/79/822642079.db2.gz DVFCKOUJYPUPGL-IHRRRGAJSA-N 1 1 377.529 4.496 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3OC(C)C)CC2)cc1 ZINC000048193590 822644165 /nfs/dbraw/zinc/64/41/65/822644165.db2.gz DLKAIEYHXLZPPI-UHFFFAOYSA-N 1 1 397.519 4.222 20 0 GIADMO CC(C)Oc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000048193589 822644194 /nfs/dbraw/zinc/64/41/94/822644194.db2.gz MAHWDSZORYTXSO-UHFFFAOYSA-N 1 1 385.483 4.353 20 0 GIADMO CC(C)Oc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000048193589 822644197 /nfs/dbraw/zinc/64/41/97/822644197.db2.gz MAHWDSZORYTXSO-UHFFFAOYSA-N 1 1 385.483 4.353 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1nc(C(C)(C)C)cs1 ZINC000184497719 822645665 /nfs/dbraw/zinc/64/56/65/822645665.db2.gz CQJCVFPENIGPBX-SQWLQELKSA-N 1 1 387.549 4.120 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)c1ccnc(-n2ccnc2)c1)C1CCCCC1 ZINC000048223795 822646594 /nfs/dbraw/zinc/64/65/94/822646594.db2.gz KZCJPNWWYPQUNU-UHFFFAOYSA-N 1 1 389.503 4.284 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184519810 822649754 /nfs/dbraw/zinc/64/97/54/822649754.db2.gz SCRQVQHLFGLCOJ-CQSZACIVSA-N 1 1 397.500 4.117 20 0 GIADMO CC(C)([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1Br ZINC000180264305 822650722 /nfs/dbraw/zinc/65/07/22/822650722.db2.gz AJXIKVVPGXLMMW-UHFFFAOYSA-N 1 1 388.261 4.286 20 0 GIADMO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184533220 822652302 /nfs/dbraw/zinc/65/23/02/822652302.db2.gz QYQSPQNDUWDTRD-HZPDHXFCSA-N 1 1 395.528 4.347 20 0 GIADMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000048328304 822654052 /nfs/dbraw/zinc/65/40/52/822654052.db2.gz KEIWJIJJVYBNOJ-UHFFFAOYSA-N 1 1 394.519 4.125 20 0 GIADMO CCCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180284836 822655213 /nfs/dbraw/zinc/65/52/13/822655213.db2.gz CURGLMFTQFTEGL-QMTYFTJSSA-N 1 1 375.534 4.414 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000048361389 822656260 /nfs/dbraw/zinc/65/62/60/822656260.db2.gz JSTSNVRJIPKLQD-GJZGRUSLSA-N 1 1 390.886 4.018 20 0 GIADMO CC(C)(C)n1nc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1C1CC1 ZINC000048361474 822656268 /nfs/dbraw/zinc/65/62/68/822656268.db2.gz KXXSQBHBBZYAQY-UHFFFAOYSA-N 1 1 398.526 4.003 20 0 GIADMO CC(C)(C)n1nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1C1CC1 ZINC000048361474 822656270 /nfs/dbraw/zinc/65/62/70/822656270.db2.gz KXXSQBHBBZYAQY-UHFFFAOYSA-N 1 1 398.526 4.003 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000048390456 822658890 /nfs/dbraw/zinc/65/88/90/822658890.db2.gz LNOFSHMBJFYNOP-SFHVURJKSA-N 1 1 388.899 4.113 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(C)n1 ZINC000455463561 822659460 /nfs/dbraw/zinc/65/94/60/822659460.db2.gz DBVGAGJDCTWQKC-UHFFFAOYSA-N 1 1 386.927 4.400 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(C)n1 ZINC000455463561 822659463 /nfs/dbraw/zinc/65/94/63/822659463.db2.gz DBVGAGJDCTWQKC-UHFFFAOYSA-N 1 1 386.927 4.400 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(F)cc2Br)C1 ZINC000048451454 822662901 /nfs/dbraw/zinc/66/29/01/822662901.db2.gz UZXMYXNZADGBGN-ZDUSSCGKSA-N 1 1 386.309 4.222 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2cc(F)cc(Br)c2)c2ccc(F)cc2)cn1 ZINC000184593576 822663128 /nfs/dbraw/zinc/66/31/28/822663128.db2.gz QSQITZKSOJAQFO-SFHVURJKSA-N 1 1 392.247 4.340 20 0 GIADMO Cc1cc(C)c(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C)n1 ZINC000455513573 822669000 /nfs/dbraw/zinc/66/90/00/822669000.db2.gz JAKSVWOMEVZVGC-HSZRJFAPSA-N 1 1 378.520 4.137 20 0 GIADMO CC[N@H+](Cc1cn(C)nc1-c1ccccc1)CC1CCN(c2ccccn2)CC1 ZINC000180368041 822671205 /nfs/dbraw/zinc/67/12/05/822671205.db2.gz CUOAIFRVXMORDT-UHFFFAOYSA-N 1 1 389.547 4.221 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(F)cc(F)c2F)[C@@H]1c1cccs1 ZINC000455567791 822675910 /nfs/dbraw/zinc/67/59/10/822675910.db2.gz PIFXCPDEZOWSNU-APPDUMDISA-N 1 1 383.439 4.370 20 0 GIADMO COc1cc(Cl)cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1O ZINC000184696242 822678019 /nfs/dbraw/zinc/67/80/19/822678019.db2.gz GDUWDASKWCFGHW-UHFFFAOYSA-N 1 1 377.712 4.371 20 0 GIADMO COc1cc(Cl)cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1O ZINC000184696242 822678023 /nfs/dbraw/zinc/67/80/23/822678023.db2.gz GDUWDASKWCFGHW-UHFFFAOYSA-N 1 1 377.712 4.371 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1cccc(C[NH+](C)C)c1 ZINC000048709887 822679165 /nfs/dbraw/zinc/67/91/65/822679165.db2.gz RSPZHSBBNCCUIR-UHFFFAOYSA-N 1 1 382.939 4.494 20 0 GIADMO CC(=O)Nc1cccc(C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1 ZINC000048712766 822679436 /nfs/dbraw/zinc/67/94/36/822679436.db2.gz KPFMRFKDSLLREM-UHFFFAOYSA-N 1 1 396.922 4.450 20 0 GIADMO O=C(NCCC1CC(F)(F)C1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455591552 822680071 /nfs/dbraw/zinc/68/00/71/822680071.db2.gz BVGFCZCXPIHNJE-UXHICEINSA-N 1 1 391.506 4.118 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cn2)n1 ZINC000048743440 822680793 /nfs/dbraw/zinc/68/07/93/822680793.db2.gz UVOVDNRLCJBEBR-UHFFFAOYSA-N 1 1 378.448 4.223 20 0 GIADMO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2cc(F)ccc2F)cn1 ZINC000048749720 822681209 /nfs/dbraw/zinc/68/12/09/822681209.db2.gz VUHMDNCPVJALFR-UHFFFAOYSA-N 1 1 386.398 4.459 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cc2c(cc1Br)OCCO2 ZINC000048786280 822683312 /nfs/dbraw/zinc/68/33/12/822683312.db2.gz DMBHJBPJEZPCLI-SNVBAGLBSA-N 1 1 384.220 4.349 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(F)F)C1 ZINC000455607947 822683577 /nfs/dbraw/zinc/68/35/77/822683577.db2.gz XIGJLGRPHYEITI-ZHALLVOQSA-N 1 1 379.495 4.289 20 0 GIADMO CC[C@H](NC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1nc(C(F)(F)F)cs1 ZINC000455612244 822684259 /nfs/dbraw/zinc/68/42/59/822684259.db2.gz AXFPEVDRKDSKQW-NSHDSACASA-N 1 1 383.399 4.391 20 0 GIADMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000184744521 822684824 /nfs/dbraw/zinc/68/48/24/822684824.db2.gz QQDKEJHDSQAKKL-ZDUSSCGKSA-N 1 1 389.805 4.107 20 0 GIADMO C[C@@H](c1ccccc1Br)N(C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455620995 822685462 /nfs/dbraw/zinc/68/54/62/822685462.db2.gz SUHMYMJWWMDVFA-AWEZNQCLSA-N 1 1 382.346 4.026 20 0 GIADMO C[C@H](NC(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000455638340 822688484 /nfs/dbraw/zinc/68/84/84/822688484.db2.gz KSWKYRUIWBSPLS-JTQLQIEISA-N 1 1 377.794 4.011 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2sccc2Br)cc1NC(C)=O ZINC000180480285 822689032 /nfs/dbraw/zinc/68/90/32/822689032.db2.gz NSNVSNVCPJUFAR-SNVBAGLBSA-N 1 1 383.311 4.328 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000184776157 822689350 /nfs/dbraw/zinc/68/93/50/822689350.db2.gz XIQKUEPLTSRKFK-ZNLUXHQJSA-N 1 1 381.495 4.042 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000180502888 822691901 /nfs/dbraw/zinc/69/19/01/822691901.db2.gz BMPGSUZJHDCFKT-HNNXBMFYSA-N 1 1 380.464 4.117 20 0 GIADMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000180502888 822691904 /nfs/dbraw/zinc/69/19/04/822691904.db2.gz BMPGSUZJHDCFKT-HNNXBMFYSA-N 1 1 380.464 4.117 20 0 GIADMO COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180505881 822692857 /nfs/dbraw/zinc/69/28/57/822692857.db2.gz WHRJUOZOZMCGIZ-HOCLYGCPSA-N 1 1 383.460 4.446 20 0 GIADMO Oc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000180507143 822693046 /nfs/dbraw/zinc/69/30/46/822693046.db2.gz QXYUCJWDRUAJMA-XJKSGUPXSA-N 1 1 382.323 4.304 20 0 GIADMO CCN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455659595 822693441 /nfs/dbraw/zinc/69/34/41/822693441.db2.gz GPBFVJFSGMCCCF-FYYLOGMGSA-N 1 1 393.531 4.319 20 0 GIADMO Cn1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)c(-c2cccnc2)n1 ZINC000180508633 822693563 /nfs/dbraw/zinc/69/35/63/822693563.db2.gz FRGMUWWPFRWNSX-UXHICEINSA-N 1 1 396.560 4.412 20 0 GIADMO CCN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455659598 822693721 /nfs/dbraw/zinc/69/37/21/822693721.db2.gz GPBFVJFSGMCCCF-JTHBVZDNSA-N 1 1 393.531 4.319 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000180517397 822694824 /nfs/dbraw/zinc/69/48/24/822694824.db2.gz HVUMSYCFFRKINP-OAQYLSRUSA-N 1 1 379.483 4.177 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000180517397 822694826 /nfs/dbraw/zinc/69/48/26/822694826.db2.gz HVUMSYCFFRKINP-OAQYLSRUSA-N 1 1 379.483 4.177 20 0 GIADMO C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1cncc(F)c1 ZINC000180523525 822695879 /nfs/dbraw/zinc/69/58/79/822695879.db2.gz CQSNQVNFGIAOHL-VIFPVBQESA-N 1 1 375.188 4.435 20 0 GIADMO O=C(Nc1ccc(C2CCC2)cn1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455672821 822697037 /nfs/dbraw/zinc/69/70/37/822697037.db2.gz FMOLKUKNWYQAKF-FGZHOGPDSA-N 1 1 390.531 4.335 20 0 GIADMO CN(C(=O)Nc1ccc([C@H]2CCOC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000455678063 822698520 /nfs/dbraw/zinc/69/85/20/822698520.db2.gz WPFJERMUIUQWCT-JTHBVZDNSA-N 1 1 393.531 4.319 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1cc(F)cc(F)c1 ZINC000180551753 822700780 /nfs/dbraw/zinc/70/07/80/822700780.db2.gz WLELGOVOXQTTLC-HNNXBMFYSA-N 1 1 376.300 4.326 20 0 GIADMO COc1ccc(CN(C)C(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180559596 822702533 /nfs/dbraw/zinc/70/25/33/822702533.db2.gz BYVAMIKSYYXPHS-SFHVURJKSA-N 1 1 398.400 4.076 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000455690166 822702748 /nfs/dbraw/zinc/70/27/48/822702748.db2.gz FBWIWCJAINPXPN-NVXWUHKLSA-N 1 1 379.291 4.264 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000455690166 822702749 /nfs/dbraw/zinc/70/27/49/822702749.db2.gz FBWIWCJAINPXPN-NVXWUHKLSA-N 1 1 379.291 4.264 20 0 GIADMO COc1ccc(C[C@H](C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1OC ZINC000180578479 822705683 /nfs/dbraw/zinc/70/56/83/822705683.db2.gz XYKQZWHKQOWSRT-SFHVURJKSA-N 1 1 398.547 4.039 20 0 GIADMO Cc1cc(=O)oc2cc(OCC[NH2+][C@@H](C)c3ncc(-c4ccccc4)o3)ccc12 ZINC000184888024 822707654 /nfs/dbraw/zinc/70/76/54/822707654.db2.gz DNKAXYKZOHXMAV-INIZCTEOSA-N 1 1 390.439 4.486 20 0 GIADMO Cc1cc([C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)c2ccccc2Cl)ccc1F ZINC000180602804 822709520 /nfs/dbraw/zinc/70/95/20/822709520.db2.gz JJAYIWLGDIUTON-IBGZPJMESA-N 1 1 395.927 4.291 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1nc(CC(F)(F)F)cs1 ZINC000455718940 822712592 /nfs/dbraw/zinc/71/25/92/822712592.db2.gz IHHTZFNZMOSTGS-HNNXBMFYSA-N 1 1 398.454 4.034 20 0 GIADMO C[C@H]1CCN(C(=O)Nc2ccccc2OCCF)CC[N@H+]1Cc1ccccc1 ZINC000455718715 822712600 /nfs/dbraw/zinc/71/26/00/822712600.db2.gz BWULTSAPRKLHKR-SFHVURJKSA-N 1 1 385.483 4.163 20 0 GIADMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C2CC2)n1 ZINC000455722121 822713655 /nfs/dbraw/zinc/71/36/55/822713655.db2.gz XKLSAXRPCFJQMQ-WIYYLYMNSA-N 1 1 377.532 4.393 20 0 GIADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000184926336 822714229 /nfs/dbraw/zinc/71/42/29/822714229.db2.gz FEAIPCOXFOMQFY-MRXNPFEDSA-N 1 1 376.928 4.026 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OCCF ZINC000455725857 822714594 /nfs/dbraw/zinc/71/45/94/822714594.db2.gz RZCAMGINVUBPHF-LJQANCHMSA-N 1 1 385.483 4.021 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050028306 822715016 /nfs/dbraw/zinc/71/50/16/822715016.db2.gz OXFKZBHECVBZDB-NRFANRHFSA-N 1 1 377.532 4.446 20 0 GIADMO CC[C@H](C)c1ccc([C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c2cccs2)cc1 ZINC000184937636 822715775 /nfs/dbraw/zinc/71/57/75/822715775.db2.gz ZGPXKWPVQZIEOF-SVMVAKDDSA-N 1 1 399.604 4.103 20 0 GIADMO C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000184947164 822717063 /nfs/dbraw/zinc/71/70/63/822717063.db2.gz NIZXVFQELPCHDH-HNNXBMFYSA-N 1 1 395.297 4.363 20 0 GIADMO C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000184947164 822717064 /nfs/dbraw/zinc/71/70/64/822717064.db2.gz NIZXVFQELPCHDH-HNNXBMFYSA-N 1 1 395.297 4.363 20 0 GIADMO CCN(CC)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184958778 822718533 /nfs/dbraw/zinc/71/85/33/822718533.db2.gz OAGXPZWRTOUFNL-LBPRGKRZSA-N 1 1 396.354 4.092 20 0 GIADMO CCCn1ncc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455745302 822718586 /nfs/dbraw/zinc/71/85/86/822718586.db2.gz CZBXYEQKOPEJMB-IBGZPJMESA-N 1 1 395.551 4.156 20 0 GIADMO CCCn1ncc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)c1C1CC1 ZINC000455747311 822718982 /nfs/dbraw/zinc/71/89/82/822718982.db2.gz GHBQUERJFMLYFH-HXUWFJFHSA-N 1 1 395.551 4.299 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)ccc(F)c2Br)C[C@@H]1C ZINC000455753416 822719991 /nfs/dbraw/zinc/71/99/91/822719991.db2.gz PPCCFRIIDADIMB-QWHCGFSZSA-N 1 1 386.309 4.233 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N(Cc1cccs1)C1CC1 ZINC000050137779 822720019 /nfs/dbraw/zinc/72/00/19/822720019.db2.gz VDJPUAGPRLITSJ-INIZCTEOSA-N 1 1 389.590 4.396 20 0 GIADMO CSc1cccc(C)c1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000184975880 822720574 /nfs/dbraw/zinc/72/05/74/822720574.db2.gz NWFUSWOEBCSYPE-CQSZACIVSA-N 1 1 375.563 4.347 20 0 GIADMO CSc1cccc(C)c1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000184975880 822720576 /nfs/dbraw/zinc/72/05/76/822720576.db2.gz NWFUSWOEBCSYPE-CQSZACIVSA-N 1 1 375.563 4.347 20 0 GIADMO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S ZINC000184978684 822720930 /nfs/dbraw/zinc/72/09/30/822720930.db2.gz XTUUHHMTDLGMTK-BLLLJJGKSA-N 1 1 391.566 4.454 20 0 GIADMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(Nc2cccc(NC(C)=O)c2)sc1=S ZINC000184978684 822720931 /nfs/dbraw/zinc/72/09/31/822720931.db2.gz XTUUHHMTDLGMTK-BLLLJJGKSA-N 1 1 391.566 4.454 20 0 GIADMO CCOc1ccc(Cl)c(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000455762225 822721765 /nfs/dbraw/zinc/72/17/65/822721765.db2.gz YTOCJLSERGHMRR-UHFFFAOYSA-N 1 1 379.888 4.318 20 0 GIADMO CCOc1ccc(Cl)c(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000455787505 822726618 /nfs/dbraw/zinc/72/66/18/822726618.db2.gz YTMHGQLFMCHRLA-IFXJQAMLSA-N 1 1 377.916 4.219 20 0 GIADMO O=C(CCCOCc1ccccc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000050357150 822727330 /nfs/dbraw/zinc/72/73/30/822727330.db2.gz WOJNJBYYZRCYGQ-UHFFFAOYSA-N 1 1 384.545 4.171 20 0 GIADMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc(C(=O)C(C)C)cc2)CC1 ZINC000455804246 822729359 /nfs/dbraw/zinc/72/93/59/822729359.db2.gz VOFHJVFHVJTLRH-UHFFFAOYSA-N 1 1 381.476 4.304 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000185052257 822729598 /nfs/dbraw/zinc/72/95/98/822729598.db2.gz CRLZLYUGDNRSAC-OAQYLSRUSA-N 1 1 390.531 4.035 20 0 GIADMO C[C@@H](c1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1)C(F)(F)F ZINC000455827772 822732958 /nfs/dbraw/zinc/73/29/58/822732958.db2.gz SIQXVSOPMVDNEU-ZDUSSCGKSA-N 1 1 393.409 4.105 20 0 GIADMO Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000185077644 822733883 /nfs/dbraw/zinc/73/38/83/822733883.db2.gz YMSIBZQFAUGZIU-SFHVURJKSA-N 1 1 380.444 4.032 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CSCC)cc2)[C@H](C)C1 ZINC000455864400 822739278 /nfs/dbraw/zinc/73/92/78/822739278.db2.gz RAAQSCXTOVXVON-YLJYHZDGSA-N 1 1 393.597 4.198 20 0 GIADMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000051060027 822745323 /nfs/dbraw/zinc/74/53/23/822745323.db2.gz BXLCLGBSOUCALB-OAQYLSRUSA-N 1 1 393.531 4.067 20 0 GIADMO COc1ccc(C[N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)cc1OC(F)F ZINC000185179368 822746121 /nfs/dbraw/zinc/74/61/21/822746121.db2.gz BZXMOKGLDZVYBP-UHFFFAOYSA-N 1 1 398.494 4.013 20 0 GIADMO C[N@@H+](CCC(=O)N1CCc2sccc2C1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051131982 822747028 /nfs/dbraw/zinc/74/70/28/822747028.db2.gz HNEMNZCAOVSDES-NFBKMPQASA-N 1 1 398.572 4.123 20 0 GIADMO Cc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)c1 ZINC000051131971 822747043 /nfs/dbraw/zinc/74/70/43/822747043.db2.gz QIYSFCCIOBXETO-WMTXJRDZSA-N 1 1 383.532 4.143 20 0 GIADMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132882 822747319 /nfs/dbraw/zinc/74/73/19/822747319.db2.gz RYINFQNUFWRLNH-LDBYXDLTSA-N 1 1 388.458 4.392 20 0 GIADMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn(C)c2ccccc12 ZINC000185200181 822748714 /nfs/dbraw/zinc/74/87/14/822748714.db2.gz JUVBOGGVEIRPIO-MSOLQXFVSA-N 1 1 395.572 4.372 20 0 GIADMO Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)N2CCCC2)o1 ZINC000455919610 822749467 /nfs/dbraw/zinc/74/94/67/822749467.db2.gz LIAFBLXUWIVDHP-NHCUHLMSSA-N 1 1 396.535 4.096 20 0 GIADMO CC[C@H](NC(=O)C[NH2+][C@@H](c1ncc(C)s1)C1CC1)c1ccc(Cl)cc1 ZINC000185274443 822758051 /nfs/dbraw/zinc/75/80/51/822758051.db2.gz AOTOGAQKOUFQFQ-FUHWJXTLSA-N 1 1 377.941 4.413 20 0 GIADMO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1Cl ZINC000185276749 822758442 /nfs/dbraw/zinc/75/84/42/822758442.db2.gz QINKTKVZMQWMQV-LBPRGKRZSA-N 1 1 384.282 4.215 20 0 GIADMO Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C2CC2)s1 ZINC000185279575 822758685 /nfs/dbraw/zinc/75/86/85/822758685.db2.gz UMQAXZREOACLML-YSVLISHTSA-N 1 1 375.563 4.306 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000455968486 822758839 /nfs/dbraw/zinc/75/88/39/822758839.db2.gz JYHPZWVRSZMKCN-LBPRGKRZSA-N 1 1 388.737 4.298 20 0 GIADMO Cc1ncc(C[N@@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)s1 ZINC000051408095 822758949 /nfs/dbraw/zinc/75/89/49/822758949.db2.gz JMPFIQKHDWOCOV-NFBKMPQASA-N 1 1 396.556 4.359 20 0 GIADMO Cc1ncc(C[N@@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)s1 ZINC000051408100 822759000 /nfs/dbraw/zinc/75/90/00/822759000.db2.gz JMPFIQKHDWOCOV-NZQKXSOJSA-N 1 1 396.556 4.359 20 0 GIADMO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(Br)cc2F)no1 ZINC000051475552 822761421 /nfs/dbraw/zinc/76/14/21/822761421.db2.gz ZPRPTEDRVNNDRC-INIZCTEOSA-N 1 1 396.260 4.050 20 0 GIADMO Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(Br)cc2F)no1 ZINC000051475552 822761423 /nfs/dbraw/zinc/76/14/23/822761423.db2.gz ZPRPTEDRVNNDRC-INIZCTEOSA-N 1 1 396.260 4.050 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174276592 822761550 /nfs/dbraw/zinc/76/15/50/822761550.db2.gz DGBFTOPIBGQHDG-QGPMSJSTSA-N 1 1 386.565 4.304 20 0 GIADMO CC[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000174281963 822762607 /nfs/dbraw/zinc/76/26/07/822762607.db2.gz IFDGGEAXCATDHZ-HSZRJFAPSA-N 1 1 392.499 4.074 20 0 GIADMO CCN(C(=O)C[NH2+][C@@H](c1ncc(C)s1)C1CC1)[C@H](C)c1ccc(F)cc1 ZINC000185306660 822763043 /nfs/dbraw/zinc/76/30/43/822763043.db2.gz RGHIMNRNPIZYLT-AUUYWEPGSA-N 1 1 375.513 4.241 20 0 GIADMO C[C@H](c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1)C(F)(F)F ZINC000455993311 822763112 /nfs/dbraw/zinc/76/31/12/822763112.db2.gz KZVUODUNWHMHAG-DKSSEZFCSA-N 1 1 380.454 4.441 20 0 GIADMO COCc1cccc(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)c1 ZINC000174285605 822763170 /nfs/dbraw/zinc/76/31/70/822763170.db2.gz OQCQKDDKWGMJJV-ZDUSSCGKSA-N 1 1 392.293 4.218 20 0 GIADMO Cc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c(C2CC2)n1 ZINC000455994133 822763311 /nfs/dbraw/zinc/76/33/11/822763311.db2.gz LRZQTXYHZAHEAV-AZUAARDMSA-N 1 1 377.532 4.298 20 0 GIADMO Cc1csc([C@H](NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2CC2)n1 ZINC000174292636 822764854 /nfs/dbraw/zinc/76/48/54/822764854.db2.gz OVWAWJBOZUYOHB-WOJBJXKFSA-N 1 1 398.576 4.209 20 0 GIADMO Cc1cnc([C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C2CC2)s1 ZINC000185322662 822765724 /nfs/dbraw/zinc/76/57/24/822765724.db2.gz NXFZRYRPLWVDBD-UGSOOPFHSA-N 1 1 377.941 4.365 20 0 GIADMO Cc1oc2ccccc2c1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000185326022 822766233 /nfs/dbraw/zinc/76/62/33/822766233.db2.gz YVTBOZUQCNTUDT-MRXNPFEDSA-N 1 1 393.487 4.456 20 0 GIADMO Cc1cnc([C@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C2CC2)s1 ZINC000185349870 822769382 /nfs/dbraw/zinc/76/93/82/822769382.db2.gz ZCEAEMHVBNRWRI-JLTOFOAXSA-N 1 1 383.517 4.458 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185360143 822771347 /nfs/dbraw/zinc/77/13/47/822771347.db2.gz JMOYOFUPXGHJSI-YVEFUNNKSA-N 1 1 393.940 4.490 20 0 GIADMO C[C@@H](c1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1)C(F)(F)F 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385.414 4.134 20 0 GIADMO Fc1ccc(OCc2noc(C[N@H+]3CCC[C@H]3Cc3cccc(F)c3)n2)cc1 ZINC000052034958 822788917 /nfs/dbraw/zinc/78/89/17/822788917.db2.gz PQEOYDNLHBKXFG-SFHVURJKSA-N 1 1 385.414 4.134 20 0 GIADMO CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000174431285 822789155 /nfs/dbraw/zinc/78/91/55/822789155.db2.gz BJSWXLAXHOQCOW-HRQSHJORSA-N 1 1 390.593 4.042 20 0 GIADMO CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000174431285 822789157 /nfs/dbraw/zinc/78/91/57/822789157.db2.gz BJSWXLAXHOQCOW-HRQSHJORSA-N 1 1 390.593 4.042 20 0 GIADMO Cn1c(=S)n(CN2CCC[N@H+](C(C)(C)C)CC2)nc1-c1ccccc1Cl ZINC000052087341 822790185 /nfs/dbraw/zinc/79/01/85/822790185.db2.gz BLXFNLAZMDETCZ-UHFFFAOYSA-N 1 1 393.988 4.035 20 0 GIADMO COc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000174452684 822791714 /nfs/dbraw/zinc/79/17/14/822791714.db2.gz ZKOLENYKLJYGAU-QGZVFWFLSA-N 1 1 387.911 4.334 20 0 GIADMO CCN(CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000052167181 822791905 /nfs/dbraw/zinc/79/19/05/822791905.db2.gz HDFMZKOJNDKOEN-UHFFFAOYSA-N 1 1 383.536 4.037 20 0 GIADMO CC(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000185515609 822792557 /nfs/dbraw/zinc/79/25/57/822792557.db2.gz VIIJNSMUPFLQLX-HNNXBMFYSA-N 1 1 381.358 4.212 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000052186367 822792772 /nfs/dbraw/zinc/79/27/72/822792772.db2.gz SQWXECKMKLDQPU-UHFFFAOYSA-N 1 1 387.568 4.027 20 0 GIADMO O=C1OCCN1c1cccc2c1CC[N@H+](CC1CCC(C(F)(F)F)CC1)C2 ZINC000185518439 822792761 /nfs/dbraw/zinc/79/27/61/822792761.db2.gz JUHXXORRZAITCM-UHFFFAOYSA-N 1 1 382.426 4.370 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000052192634 822792888 /nfs/dbraw/zinc/79/28/88/822792888.db2.gz KIXMHFMTZOMUQI-UHFFFAOYSA-N 1 1 378.501 4.001 20 0 GIADMO Oc1cc(F)cc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)c1 ZINC000185520737 822792973 /nfs/dbraw/zinc/79/29/73/822792973.db2.gz 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CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2OCc2ccccc2Cl)C1 ZINC000174494178 822796512 /nfs/dbraw/zinc/79/65/12/822796512.db2.gz UKAZTKINXLEAGF-QGZVFWFLSA-N 1 1 386.923 4.333 20 0 GIADMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCN(c2nccs2)CC1 ZINC000052358636 822797191 /nfs/dbraw/zinc/79/71/91/822797191.db2.gz GASKTANXCSRGLY-QGZVFWFLSA-N 1 1 392.528 4.279 20 0 GIADMO CCc1ccccc1O[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000456320928 822798241 /nfs/dbraw/zinc/79/82/41/822798241.db2.gz OMDLCUCYCVRMNR-VYTWWXLVSA-N 1 1 378.516 4.111 20 0 GIADMO Cc1ccc(Sc2ncccc2C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000456323544 822798383 /nfs/dbraw/zinc/79/83/83/822798383.db2.gz UWBOHFBWKLPUSI-AYHJJNSGSA-N 1 1 381.545 4.205 20 0 GIADMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000052439810 822799722 /nfs/dbraw/zinc/79/97/22/822799722.db2.gz AUPQANHEMOQZQF-HXUWFJFHSA-N 1 1 378.438 4.471 20 0 GIADMO C[C@H](CC(=O)c1ccccc1F)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456349123 822800980 /nfs/dbraw/zinc/80/09/80/822800980.db2.gz VPQKYTREQACUFP-RBUKOAKNSA-N 1 1 396.506 4.015 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NCCC(=O)OC(C)(C)C)C1CCCCC1 ZINC000174526124 822801115 /nfs/dbraw/zinc/80/11/15/822801115.db2.gz ZVHUSLJSWWJLHO-UHFFFAOYSA-N 1 1 389.540 4.304 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)C1 ZINC000174528619 822801496 /nfs/dbraw/zinc/80/14/96/822801496.db2.gz GZCWCPQHWWEJBL-CYBMUJFWSA-N 1 1 396.318 4.371 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC000174544871 822803375 /nfs/dbraw/zinc/80/33/75/822803375.db2.gz MAJYOHZKMKZNQD-CQSZACIVSA-N 1 1 376.422 4.185 20 0 GIADMO CN(C[C@@H]1CCCCO1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000052559858 822803717 /nfs/dbraw/zinc/80/37/17/822803717.db2.gz MFUPETUYYNCYFF-QFIPXVFZSA-N 1 1 387.568 4.162 20 0 GIADMO COc1cc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c(SC)cc1OC ZINC000185635221 822804965 /nfs/dbraw/zinc/80/49/65/822804965.db2.gz RDGNUKIEUXLJCA-UHFFFAOYSA-N 1 1 385.533 4.337 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390.531 4.184 20 0 GIADMO CC(C)c1ccsc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000053056665 822820111 /nfs/dbraw/zinc/82/01/11/822820111.db2.gz ZIVDSMIYNONIIO-IAGOWNOFSA-N 1 1 386.561 4.411 20 0 GIADMO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000174665282 822820772 /nfs/dbraw/zinc/82/07/72/822820772.db2.gz DUIQWGOYCITXBE-SFHVURJKSA-N 1 1 397.487 4.180 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000053112475 822822268 /nfs/dbraw/zinc/82/22/68/822822268.db2.gz ZJPHLRCCVQQLBI-UHFFFAOYSA-N 1 1 378.394 4.369 20 0 GIADMO C[C@@H]([NH2+]Cc1noc(C2CCOCC2)n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000185804171 822822626 /nfs/dbraw/zinc/82/26/26/822822626.db2.gz OXPMFIVIWHIFEW-CHWSQXEVSA-N 1 1 383.414 4.264 20 0 GIADMO O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185821136 822824339 /nfs/dbraw/zinc/82/43/39/822824339.db2.gz CDPMJDWDZQLIBF-ROUUACIJSA-N 1 1 392.474 4.145 20 0 GIADMO Cc1nc2ccccc2n1CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000053187715 822825512 /nfs/dbraw/zinc/82/55/12/822825512.db2.gz LVWRLRPYHVWQBE-GOSISDBHSA-N 1 1 390.531 4.036 20 0 GIADMO CCCOc1ccc(C[NH2+]Cc2nc3cc(OC)ccc3n2C)cc1OCC ZINC000185838219 822825952 /nfs/dbraw/zinc/82/59/52/822825952.db2.gz APBBHHSFSHYQES-UHFFFAOYSA-N 1 1 383.492 4.059 20 0 GIADMO CC[N@H+](C)[C@H](C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)c1ccccc1 ZINC000174706910 822826312 /nfs/dbraw/zinc/82/63/12/822826312.db2.gz DQBANGCDRPEVDV-QFIPXVFZSA-N 1 1 393.462 4.431 20 0 GIADMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc(OCc2ccccn2)c(F)c1)c1ccccc1 ZINC000174706910 822826314 /nfs/dbraw/zinc/82/63/14/822826314.db2.gz DQBANGCDRPEVDV-QFIPXVFZSA-N 1 1 393.462 4.431 20 0 GIADMO COc1cc(NC(=O)CC[N@@H+](C)[C@H]2CCc3ccccc32)c(OC)cc1Cl ZINC000174712515 822827204 /nfs/dbraw/zinc/82/72/04/822827204.db2.gz GTVWQZWVYGFDPW-SFHVURJKSA-N 1 1 388.895 4.305 20 0 GIADMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000053399408 822832945 /nfs/dbraw/zinc/83/29/45/822832945.db2.gz SEOHIFSMEJUDST-HOCLYGCPSA-N 1 1 382.323 4.087 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000053403835 822833343 /nfs/dbraw/zinc/83/33/43/822833343.db2.gz GWPYMZUCXZEFPC-HNNXBMFYSA-N 1 1 378.607 4.406 20 0 GIADMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000053422395 822834118 /nfs/dbraw/zinc/83/41/18/822834118.db2.gz YIYHCHYIIFYQTG-AWEZNQCLSA-N 1 1 380.410 4.079 20 0 GIADMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000053422395 822834122 /nfs/dbraw/zinc/83/41/22/822834122.db2.gz YIYHCHYIIFYQTG-AWEZNQCLSA-N 1 1 380.410 4.079 20 0 GIADMO CCO[C@H](C)c1noc(C[N@H+](C)[C@@H](CC)Cc2ccccc2Br)n1 ZINC000185926552 822834377 /nfs/dbraw/zinc/83/43/77/822834377.db2.gz QCGAYRPMIYJSLO-HIFRSBDPSA-N 1 1 396.329 4.383 20 0 GIADMO CCO[C@H](C)c1noc(C[N@@H+](C)[C@@H](CC)Cc2ccccc2Br)n1 ZINC000185926552 822834380 /nfs/dbraw/zinc/83/43/80/822834380.db2.gz QCGAYRPMIYJSLO-HIFRSBDPSA-N 1 1 396.329 4.383 20 0 GIADMO Cc1nc(-c2ccccc2)oc1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000174767939 822834545 /nfs/dbraw/zinc/83/45/45/822834545.db2.gz QHJYIQOEJYUOCO-UHFFFAOYSA-N 1 1 377.488 4.420 20 0 GIADMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)c1 ZINC000174767903 822834605 /nfs/dbraw/zinc/83/46/05/822834605.db2.gz RIXBYYWKRNNCEZ-QGZVFWFLSA-N 1 1 384.495 4.191 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)Cc2ncc(-c3ccc(Br)cc3)o2)[C@H](C)C1 ZINC000174779140 822835813 /nfs/dbraw/zinc/83/58/13/822835813.db2.gz PMGVJFIPKVNWQQ-RHSMWYFYSA-N 1 1 392.341 4.266 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CC[N@H+]1C ZINC000174780155 822836013 /nfs/dbraw/zinc/83/60/13/822836013.db2.gz DFNFFBWFMRPMGJ-JXFKEZNVSA-N 1 1 395.507 4.277 20 0 GIADMO Cc1ccc(Br)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174783513 822836466 /nfs/dbraw/zinc/83/64/66/822836466.db2.gz OVXQLZGFXSBKKF-CVEARBPZSA-N 1 1 380.330 4.237 20 0 GIADMO CCC[C@H]1CCCC[C@@H]1CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000456839102 822836982 /nfs/dbraw/zinc/83/69/82/822836982.db2.gz OJPPMGUPWGMMHK-PKOBYXMFSA-N 1 1 377.598 4.386 20 0 GIADMO CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)s1 ZINC000174792926 822837558 /nfs/dbraw/zinc/83/75/58/822837558.db2.gz KBRSLODIUCEHAI-MRXNPFEDSA-N 1 1 380.602 4.371 20 0 GIADMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C3=CCCCCC3)CC2)c1C ZINC000185962222 822838090 /nfs/dbraw/zinc/83/80/90/822838090.db2.gz KWUJMECNYLLOAG-UHFFFAOYSA-N 1 1 385.552 4.020 20 0 GIADMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(N3CCc4sccc4C3)cc1)C2 ZINC000174800405 822838897 /nfs/dbraw/zinc/83/88/97/822838897.db2.gz TYLMVWCBLUYYBL-AZUAARDMSA-N 1 1 396.560 4.011 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3Cc3cccc(F)c3)cs2)cc1 ZINC000053610487 822842700 /nfs/dbraw/zinc/84/27/00/822842700.db2.gz CTIBUKHARDLDSC-HXUWFJFHSA-N 1 1 395.503 4.255 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ncoc1-c1ccc(F)cc1 ZINC000186025366 822844927 /nfs/dbraw/zinc/84/49/27/822844927.db2.gz ZTSDYFQFDVDHQI-KRWDZBQOSA-N 1 1 393.462 4.217 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC[N@H+]1C ZINC000174841622 822845013 /nfs/dbraw/zinc/84/50/13/822845013.db2.gz DDOKTTJWHHKJMK-UZLBHIALSA-N 1 1 385.483 4.351 20 0 GIADMO CCCOc1cccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174848689 822846064 /nfs/dbraw/zinc/84/60/64/822846064.db2.gz LBSTZGCTWPLZBY-HXUWFJFHSA-N 1 1 381.520 4.461 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 ZINC000053720507 822846118 /nfs/dbraw/zinc/84/61/18/822846118.db2.gz IFJVVICHKOJONF-INIZCTEOSA-N 1 1 376.456 4.420 20 0 GIADMO COc1ccc([C@H](NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c2ccco2)cc1 ZINC000457014135 822846315 /nfs/dbraw/zinc/84/63/15/822846315.db2.gz WOLWVMCYCHQDEN-JTSKRJEESA-N 1 1 378.472 4.014 20 0 GIADMO Cc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000186050148 822847343 /nfs/dbraw/zinc/84/73/43/822847343.db2.gz FKYKODIGIYDKCJ-UWJYYQICSA-N 1 1 394.544 4.055 20 0 GIADMO Cc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000186050167 822847386 /nfs/dbraw/zinc/84/73/86/822847386.db2.gz FKYKODIGIYDKCJ-UTKZUKDTSA-N 1 1 394.544 4.055 20 0 GIADMO CC(=O)Nc1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000053811521 822849118 /nfs/dbraw/zinc/84/91/18/822849118.db2.gz JUBKLVNSAQLBML-INIZCTEOSA-N 1 1 397.494 4.089 20 0 GIADMO O=C(C1CC[NH+](Cc2ccncc2Cl)CC1)N(Cc1ccccc1)C1CC1 ZINC000174872990 822849319 /nfs/dbraw/zinc/84/93/19/822849319.db2.gz ZMPZFPCQBZHPNC-UHFFFAOYSA-N 1 1 383.923 4.138 20 0 GIADMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccccc1SCc1cscn1 ZINC000457081295 822850986 /nfs/dbraw/zinc/85/09/86/822850986.db2.gz VFSFLMFXZKMYSH-UHFFFAOYSA-N 1 1 375.563 4.040 20 0 GIADMO Cc1ccc(C(=O)CCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C ZINC000457086126 822851602 /nfs/dbraw/zinc/85/16/02/822851602.db2.gz NVVRBDWXMMVVMH-UHFFFAOYSA-N 1 1 398.469 4.142 20 0 GIADMO CCCCc1nc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cs1 ZINC000053895420 822852092 /nfs/dbraw/zinc/85/20/92/822852092.db2.gz XNHXWAGQESMIDC-UHFFFAOYSA-N 1 1 389.540 4.153 20 0 GIADMO COC1CC[NH+](CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1 ZINC000053897162 822852321 /nfs/dbraw/zinc/85/23/21/822852321.db2.gz NJTJFXJRAOAXKE-UHFFFAOYSA-N 1 1 395.528 4.321 20 0 GIADMO Cc1ccnc(Oc2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)ccc2C)c1 ZINC000174897343 822852373 /nfs/dbraw/zinc/85/23/73/822852373.db2.gz IMOPCIVBAJQZFL-MOPGFXCFSA-N 1 1 380.492 4.191 20 0 GIADMO Cc1cnc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000174909832 822854437 /nfs/dbraw/zinc/85/44/37/822854437.db2.gz ZYQNXBQSHHCPER-SUMDDJOVSA-N 1 1 386.565 4.207 20 0 GIADMO CO[C@@H](C)c1nc(C)c(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)s1 ZINC000186138830 822854852 /nfs/dbraw/zinc/85/48/52/822854852.db2.gz AEORCOYRTJFIKF-FUHWJXTLSA-N 1 1 389.565 4.045 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(Br)cc1 ZINC000174915895 822855492 /nfs/dbraw/zinc/85/54/92/822855492.db2.gz LBFZMAJGEJHRTR-QGZVFWFLSA-N 1 1 387.321 4.043 20 0 GIADMO C[NH+](C)[C@H](C(=O)N1CCC2(CC1)OCCc1ccccc12)c1cccc(Cl)c1 ZINC000457124135 822855516 /nfs/dbraw/zinc/85/55/16/822855516.db2.gz XFSLEKSWPWWONN-NRFANRHFSA-N 1 1 398.934 4.033 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000174923052 822856491 /nfs/dbraw/zinc/85/64/91/822856491.db2.gz VEJLVVYNIYLPNS-LJQANCHMSA-N 1 1 391.490 4.415 20 0 GIADMO Cc1ccc(-c2ocnc2C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174923084 822856496 /nfs/dbraw/zinc/85/64/96/822856496.db2.gz RHGQQOMORCJJCJ-FQEVSTJZSA-N 1 1 389.499 4.244 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000174927622 822857212 /nfs/dbraw/zinc/85/72/12/822857212.db2.gz ZBHCTLWPVWLSIW-MRXNPFEDSA-N 1 1 394.412 4.439 20 0 GIADMO CC(=O)N(c1nc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)cs1)c1ccc(C)cc1 ZINC000174938183 822858435 /nfs/dbraw/zinc/85/84/35/822858435.db2.gz KSSMCYVULNJDDU-TZIWHRDSSA-N 1 1 387.549 4.167 20 0 GIADMO C[N@@H+](CCCCNC(=O)Cc1csc2ccc(Br)cc12)C1CC1 ZINC000457165701 822858476 /nfs/dbraw/zinc/85/84/76/822858476.db2.gz KNEWMHXBJDRUTI-UHFFFAOYSA-N 1 1 395.366 4.197 20 0 GIADMO CC(C)C1(C)CC[NH+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC000186189215 822859362 /nfs/dbraw/zinc/85/93/62/822859362.db2.gz ADRLFURFLFRPPC-UHFFFAOYSA-N 1 1 380.533 4.088 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1csc(-c2ccccc2)n1 ZINC000174945944 822859416 /nfs/dbraw/zinc/85/94/16/822859416.db2.gz PIUDVPMMOMDBFE-IBGZPJMESA-N 1 1 391.540 4.404 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc2cccnc21 ZINC000174948172 822859723 /nfs/dbraw/zinc/85/97/23/822859723.db2.gz ZZDYPTKJOXDATB-GOSISDBHSA-N 1 1 393.918 4.482 20 0 GIADMO Cc1nc(CSc2ccccc2C(=O)NCCCC[N@H+](C)C2CC2)cs1 ZINC000457196917 822860212 /nfs/dbraw/zinc/86/02/12/822860212.db2.gz HXXRLIGNPDQHFW-UHFFFAOYSA-N 1 1 389.590 4.348 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccnc2ccccc12 ZINC000174951433 822860236 /nfs/dbraw/zinc/86/02/36/822860236.db2.gz DJGYKWZWQYGOFG-RJRNSMGGSA-N 1 1 385.511 4.229 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000174952197 822860292 /nfs/dbraw/zinc/86/02/92/822860292.db2.gz XEIHFBHVUACNIY-LJQANCHMSA-N 1 1 398.934 4.283 20 0 GIADMO C[N@@H+](CCCCNC(=O)c1ccccc1SCc1cscn1)C1CC1 ZINC000457210436 822860829 /nfs/dbraw/zinc/86/08/29/822860829.db2.gz VPDXEJHFJLWNHF-UHFFFAOYSA-N 1 1 375.563 4.040 20 0 GIADMO COCc1ccccc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000174968918 822862537 /nfs/dbraw/zinc/86/25/37/822862537.db2.gz WDXJOSNZBVTZSW-UHFFFAOYSA-N 1 1 393.487 4.380 20 0 GIADMO COCc1ccccc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174968918 822862540 /nfs/dbraw/zinc/86/25/40/822862540.db2.gz WDXJOSNZBVTZSW-UHFFFAOYSA-N 1 1 393.487 4.380 20 0 GIADMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186248532 822864626 /nfs/dbraw/zinc/86/46/26/822864626.db2.gz VINRLQRPNZRRAA-MRXNPFEDSA-N 1 1 378.476 4.105 20 0 GIADMO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000568964960 822865841 /nfs/dbraw/zinc/86/58/41/822865841.db2.gz AFVDPBFRPKZYIO-CYBMUJFWSA-N 1 1 396.318 4.419 20 0 GIADMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000054174983 822865910 /nfs/dbraw/zinc/86/59/10/822865910.db2.gz WGMWSYXZUPBXMV-AWEZNQCLSA-N 1 1 397.332 4.059 20 0 GIADMO CCN(c1ccc(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)cc1)C(C)C ZINC000175013054 822867326 /nfs/dbraw/zinc/86/73/26/822867326.db2.gz JTSOLRCVJRQTJJ-UHFFFAOYSA-N 1 1 386.565 4.375 20 0 GIADMO CC(C)c1nc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)cs1 ZINC000186273882 822868261 /nfs/dbraw/zinc/86/82/61/822868261.db2.gz INCILDKDLWJNOH-JSGCOSHPSA-N 1 1 388.455 4.376 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000568994169 822868329 /nfs/dbraw/zinc/86/83/29/822868329.db2.gz BETUGPZSIXNPQB-WCQYABFASA-N 1 1 393.278 4.033 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000568994169 822868333 /nfs/dbraw/zinc/86/83/33/822868333.db2.gz BETUGPZSIXNPQB-WCQYABFASA-N 1 1 393.278 4.033 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000054224927 822869569 /nfs/dbraw/zinc/86/95/69/822869569.db2.gz FAHUIXFXXWZRDY-CJNGLKHVSA-N 1 1 391.284 4.154 20 0 GIADMO Cc1sc(C2([NH2+]CC(=O)NC3CCCC3)CCC2)nc1-c1ccccc1F ZINC000569024345 822870648 /nfs/dbraw/zinc/87/06/48/822870648.db2.gz GUEGZDQZKBFOFW-UHFFFAOYSA-N 1 1 387.524 4.285 20 0 GIADMO Cc1cc(Br)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000457379347 822871492 /nfs/dbraw/zinc/87/14/92/822871492.db2.gz ASDAWAOZQGMRIL-AWEZNQCLSA-N 1 1 397.338 4.369 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000175036893 822871809 /nfs/dbraw/zinc/87/18/09/822871809.db2.gz BWWUYUXCTOQMOG-NJYVYQBISA-N 1 1 389.609 4.214 20 0 GIADMO CCN(C(=O)c1csc(-c2ccoc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186299713 822872998 /nfs/dbraw/zinc/87/29/98/822872998.db2.gz XXKIHCQWFFEYJI-GOSISDBHSA-N 1 1 381.501 4.140 20 0 GIADMO Cc1noc(C)c1COc1ccccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000054287717 822873381 /nfs/dbraw/zinc/87/33/81/822873381.db2.gz HGEDBZPLHWNCGK-INIZCTEOSA-N 1 1 399.535 4.111 20 0 GIADMO Cc1nc([C@H]2CCCN2C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000186310452 822874455 /nfs/dbraw/zinc/87/44/55/822874455.db2.gz HERWPDTTYFCGDD-JTDSTZFVSA-N 1 1 378.586 4.056 20 0 GIADMO CCN(C(=O)Cc1csc(-c2ccoc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186313621 822874915 /nfs/dbraw/zinc/87/49/15/822874915.db2.gz LERSNKPJYBTMFM-FQEVSTJZSA-N 1 1 395.528 4.069 20 0 GIADMO CCN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186316039 822875211 /nfs/dbraw/zinc/87/52/11/822875211.db2.gz PQQKWVVBWYWBRP-HXUWFJFHSA-N 1 1 394.563 4.252 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC000054317992 822876002 /nfs/dbraw/zinc/87/60/02/822876002.db2.gz UZGMFODXNFFJPV-UHFFFAOYSA-N 1 1 390.527 4.081 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000186325459 822876392 /nfs/dbraw/zinc/87/63/92/822876392.db2.gz SOUFFUYFEGDDLF-PKTZIBPZSA-N 1 1 392.547 4.147 20 0 GIADMO Cc1noc([C@@H]2CCC[N@@H+](CCCCOc3cccc(C(F)(F)F)c3)C2)n1 ZINC000054341109 822877029 /nfs/dbraw/zinc/87/70/29/822877029.db2.gz MTXHUALNKQUEMR-OAHLLOKOSA-N 1 1 383.414 4.435 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC(OC2CCCC2)CC1)C1CC1 ZINC000186331986 822877265 /nfs/dbraw/zinc/87/72/65/822877265.db2.gz RNUFNOANAVCYCJ-HSZRJFAPSA-N 1 1 399.579 4.030 20 0 GIADMO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186332691 822877522 /nfs/dbraw/zinc/87/75/22/822877522.db2.gz ODMBHBUMMYQZCL-VXKWHMMOSA-N 1 1 380.536 4.085 20 0 GIADMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000569079648 822877813 /nfs/dbraw/zinc/87/78/13/822877813.db2.gz UWECOZYWLZCMIS-AOMKIAJQSA-N 1 1 387.499 4.324 20 0 GIADMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)[C@@]2(C)CC=CCC2)c1 ZINC000569079648 822877817 /nfs/dbraw/zinc/87/78/17/822877817.db2.gz UWECOZYWLZCMIS-AOMKIAJQSA-N 1 1 387.499 4.324 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1 ZINC000175093855 822881234 /nfs/dbraw/zinc/88/12/34/822881234.db2.gz WRSNNKMYYPAETH-YADHBBJMSA-N 1 1 387.483 4.082 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000054396712 822881745 /nfs/dbraw/zinc/88/17/45/822881745.db2.gz OAJRCOAYIGMFHB-OAHLLOKOSA-N 1 1 399.922 4.206 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC1 ZINC000054396712 822881748 /nfs/dbraw/zinc/88/17/48/822881748.db2.gz OAJRCOAYIGMFHB-OAHLLOKOSA-N 1 1 399.922 4.206 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000175098653 822881812 /nfs/dbraw/zinc/88/18/12/822881812.db2.gz SCAPHEWQGCGLSU-UHFFFAOYSA-N 1 1 389.455 4.231 20 0 GIADMO Fc1ccc([C@H]2C[C@@H]2c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c(F)c1 ZINC000569168966 822887463 /nfs/dbraw/zinc/88/74/63/822887463.db2.gz CRSZDKRUMUNVOQ-MOPGFXCFSA-N 1 1 397.425 4.118 20 0 GIADMO Cc1ccc(Oc2ccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cn2)cc1C ZINC000175133754 822889212 /nfs/dbraw/zinc/88/92/12/822889212.db2.gz KEZPVDGQNMGCTA-MJGOQNOKSA-N 1 1 382.508 4.437 20 0 GIADMO Cc1cccc(Br)c1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000569178937 822889309 /nfs/dbraw/zinc/88/93/09/822889309.db2.gz OJDXVSUOVNDDDC-OKILXGFUSA-N 1 1 381.358 4.244 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@]3(C)CC[C@H](C)C3(C)C)CC2)oc1C ZINC000457552006 822889635 /nfs/dbraw/zinc/88/96/35/822889635.db2.gz BMPWFDAIOYVDSK-NYHFZMIOSA-N 1 1 375.557 4.082 20 0 GIADMO CC[C@@]1(C)Oc2ccc(NC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2O1 ZINC000569185392 822890060 /nfs/dbraw/zinc/89/00/60/822890060.db2.gz ACDULQHBPKETMP-AVRDEDQJSA-N 1 1 381.476 4.105 20 0 GIADMO CC[C@@]1(C)Oc2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2O1 ZINC000569185392 822890064 /nfs/dbraw/zinc/89/00/64/822890064.db2.gz ACDULQHBPKETMP-AVRDEDQJSA-N 1 1 381.476 4.105 20 0 GIADMO C[C@H](c1ccc(NC(=O)NC[C@H]2CSc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000569199152 822891791 /nfs/dbraw/zinc/89/17/91/822891791.db2.gz UQKXWSANIJOSAW-AEFFLSMTSA-N 1 1 397.544 4.091 20 0 GIADMO CC(C)c1nc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Br)cs1 ZINC000186421519 822891943 /nfs/dbraw/zinc/89/19/43/822891943.db2.gz YTXNKDKUYCYQOO-QWHCGFSZSA-N 1 1 399.354 4.120 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000569199873 822892236 /nfs/dbraw/zinc/89/22/36/822892236.db2.gz MSBYBWFNQVIFCB-NZSAHSFTSA-N 1 1 391.581 4.065 20 0 GIADMO CN(C)C(=O)c1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000569203052 822892461 /nfs/dbraw/zinc/89/24/61/822892461.db2.gz IKQQIUSBHJKOFL-QGZVFWFLSA-N 1 1 379.529 4.378 20 0 GIADMO COc1ccccc1C[C@H](C)[N@H+](Cc1nc([C@@H](C)OC)no1)Cc1ccccc1 ZINC000175154309 822893542 /nfs/dbraw/zinc/89/35/42/822893542.db2.gz BSMIJRAEVHPPDV-ZWKOTPCHSA-N 1 1 395.503 4.419 20 0 GIADMO COc1ccccc1C[C@H](C)[N@@H+](Cc1nc([C@@H](C)OC)no1)Cc1ccccc1 ZINC000175154309 822893546 /nfs/dbraw/zinc/89/35/46/822893546.db2.gz BSMIJRAEVHPPDV-ZWKOTPCHSA-N 1 1 395.503 4.419 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)[C@@H](C)C1 ZINC000457583436 822894373 /nfs/dbraw/zinc/89/43/73/822894373.db2.gz AECNJQZXIJJJAJ-YWZLYKJASA-N 1 1 387.911 4.330 20 0 GIADMO Cn1c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)nc2cc(C(F)(F)F)ccc21 ZINC000186436337 822895186 /nfs/dbraw/zinc/89/51/86/822895186.db2.gz FXAKJZBAIZLDTL-FQEVSTJZSA-N 1 1 387.405 4.224 20 0 GIADMO Cn1c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)nc2cc(C(F)(F)F)ccc21 ZINC000186436337 822895189 /nfs/dbraw/zinc/89/51/89/822895189.db2.gz FXAKJZBAIZLDTL-FQEVSTJZSA-N 1 1 387.405 4.224 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000569232547 822895202 /nfs/dbraw/zinc/89/52/02/822895202.db2.gz FXOHDLNAUNNMQT-WMQCIHAUSA-N 1 1 380.536 4.403 20 0 GIADMO CO[C@H](C)c1nc(C)c(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000175161157 822895437 /nfs/dbraw/zinc/89/54/37/822895437.db2.gz IQNRSIYLSUUUGO-AEFFLSMTSA-N 1 1 388.533 4.228 20 0 GIADMO Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000569238249 822895425 /nfs/dbraw/zinc/89/54/25/822895425.db2.gz ISDOPNLLODOYGO-IDISGSTGSA-N 1 1 384.545 4.215 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCCCO2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000457609177 822897061 /nfs/dbraw/zinc/89/70/61/822897061.db2.gz XUGLLLXHHQKWMW-KPFFTGBYSA-N 1 1 398.469 4.164 20 0 GIADMO Cc1oc2ccc(NC(=O)N3CCC[C@@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000186446338 822897087 /nfs/dbraw/zinc/89/70/87/822897087.db2.gz DZIBOAXUYHMMNO-ZRGWGRIASA-N 1 1 385.508 4.155 20 0 GIADMO Cc1oc2ccc(NC(=O)N3CCC[C@@H]3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000186446338 822897091 /nfs/dbraw/zinc/89/70/91/822897091.db2.gz DZIBOAXUYHMMNO-ZRGWGRIASA-N 1 1 385.508 4.155 20 0 GIADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457613572 822897293 /nfs/dbraw/zinc/89/72/93/822897293.db2.gz MXAKDBHHQAOOFM-KRWDZBQOSA-N 1 1 399.922 4.331 20 0 GIADMO CCCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OC ZINC000569255099 822897367 /nfs/dbraw/zinc/89/73/67/822897367.db2.gz UNIDYKQUIPMGTB-RHSMWYFYSA-N 1 1 399.373 4.019 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000054605871 822898412 /nfs/dbraw/zinc/89/84/12/822898412.db2.gz KRHOLQILBPEIOA-UHFFFAOYSA-N 1 1 397.910 4.006 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000054625444 822900009 /nfs/dbraw/zinc/90/00/09/822900009.db2.gz WTXKDYDLAXZRKE-JTQLQIEISA-N 1 1 393.331 4.295 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(Oc3ccccc3)c2)cn1 ZINC000054625966 822900041 /nfs/dbraw/zinc/90/00/41/822900041.db2.gz IOGBJETUDNTSAJ-UHFFFAOYSA-N 1 1 384.439 4.298 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cn1 ZINC000054626048 822900089 /nfs/dbraw/zinc/90/00/89/822900089.db2.gz OCBYDBFSUSEJLT-UHFFFAOYSA-N 1 1 386.455 4.085 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1OC(F)F ZINC000569277173 822900254 /nfs/dbraw/zinc/90/02/54/822900254.db2.gz ZBDNLQBYCYZREP-JKSUJKDBSA-N 1 1 395.471 4.297 20 0 GIADMO COc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1OCc1ccccc1 ZINC000186484599 822902995 /nfs/dbraw/zinc/90/29/95/822902995.db2.gz QYSIRIFQNMTHSU-UHFFFAOYSA-N 1 1 399.556 4.372 20 0 GIADMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)CC(F)(F)F ZINC000457669209 822904015 /nfs/dbraw/zinc/90/40/15/822904015.db2.gz SQUJNFVDVIKPFE-HDMKZQKVSA-N 1 1 385.474 4.037 20 0 GIADMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)CC(F)(F)F ZINC000457669209 822904017 /nfs/dbraw/zinc/90/40/17/822904017.db2.gz SQUJNFVDVIKPFE-HDMKZQKVSA-N 1 1 385.474 4.037 20 0 GIADMO C[C@H](CC(F)(F)F)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457675535 822905071 /nfs/dbraw/zinc/90/50/71/822905071.db2.gz ASKRLKPTFWESRH-GMXABZIVSA-N 1 1 380.813 4.177 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2[nH]ccc2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457676308 822905334 /nfs/dbraw/zinc/90/53/34/822905334.db2.gz BQPXBJLFQUEYGV-AUUYWEPGSA-N 1 1 375.875 4.107 20 0 GIADMO CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054685435 822906306 /nfs/dbraw/zinc/90/63/06/822906306.db2.gz QISCNURIHYSNFU-UHFFFAOYSA-N 1 1 383.970 4.053 20 0 GIADMO CCN(Cc1ccc(Cl)s1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054685435 822906307 /nfs/dbraw/zinc/90/63/07/822906307.db2.gz QISCNURIHYSNFU-UHFFFAOYSA-N 1 1 383.970 4.053 20 0 GIADMO O=C(c1ccc(Oc2cccc(F)c2)cn1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000457688409 822906917 /nfs/dbraw/zinc/90/69/17/822906917.db2.gz VHKWOWXEOLWXRP-ZHRRBRCNSA-N 1 1 395.478 4.102 20 0 GIADMO Cc1cccc(Oc2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2)c1 ZINC000457689707 822907291 /nfs/dbraw/zinc/90/72/91/822907291.db2.gz WJUHMUZOUBCMJF-WZONZLPQSA-N 1 1 391.515 4.271 20 0 GIADMO CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054719152 822907313 /nfs/dbraw/zinc/90/73/13/822907313.db2.gz XCOWEPMGZKNGCJ-GHTZIAJQSA-N 1 1 381.520 4.062 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1)C[C@H]1CCCCO1 ZINC000457709718 822909570 /nfs/dbraw/zinc/90/95/70/822909570.db2.gz ODKVRFGPKQSFNJ-BDKRGJGYSA-N 1 1 398.547 4.020 20 0 GIADMO Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c(Cl)c1 ZINC000569346852 822909958 /nfs/dbraw/zinc/90/99/58/822909958.db2.gz DDTPKERONZDDMU-UHFFFAOYSA-N 1 1 391.842 4.361 20 0 GIADMO CC(C)Oc1ccc(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(Cl)c1 ZINC000457720152 822910643 /nfs/dbraw/zinc/91/06/43/822910643.db2.gz AGLXQFATKMSNFJ-HNNXBMFYSA-N 1 1 387.911 4.290 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000457730683 822911892 /nfs/dbraw/zinc/91/18/92/822911892.db2.gz IKCVOVBGNROIBK-RXVVDRJESA-N 1 1 397.567 4.312 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000186558661 822913306 /nfs/dbraw/zinc/91/33/06/822913306.db2.gz BJRTWXNFKRUZFP-UHFFFAOYSA-N 1 1 387.483 4.193 20 0 GIADMO Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000054794188 822913435 /nfs/dbraw/zinc/91/34/35/822913435.db2.gz WKDUEJWQYHHQOX-ZDUSSCGKSA-N 1 1 375.563 4.153 20 0 GIADMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000054806011 822914236 /nfs/dbraw/zinc/91/42/36/822914236.db2.gz FPXNQVXGHMNJQG-MRXNPFEDSA-N 1 1 378.476 4.348 20 0 GIADMO Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)cc1 ZINC000186566200 822914424 /nfs/dbraw/zinc/91/44/24/822914424.db2.gz YNHIMQXDHFARSQ-FGZHOGPDSA-N 1 1 395.591 4.251 20 0 GIADMO COc1ccc([C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c2ccco2)cc1 ZINC000457752319 822914806 /nfs/dbraw/zinc/91/48/06/822914806.db2.gz XCPZTNMDMSDOGV-XMSQKQJNSA-N 1 1 399.535 4.331 20 0 GIADMO CC[C@H](NC(=O)c1ccccc1)c1noc([C@@H](c2ccccc2)[NH+](CC)CC)n1 ZINC000569390594 822915340 /nfs/dbraw/zinc/91/53/40/822915340.db2.gz KHJRZUMSVGFAOQ-VQTJNVASSA-N 1 1 392.503 4.382 20 0 GIADMO O=C(Cc1ccccc1OC1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457761339 822915970 /nfs/dbraw/zinc/91/59/70/822915970.db2.gz IXNYUPSQBUTMED-NRFANRHFSA-N 1 1 392.543 4.189 20 0 GIADMO Cc1cc2oc(=O)cc(C[NH2+]C(C)(C)c3nc4ccccc4n3C)c2cc1C ZINC000186575755 822916052 /nfs/dbraw/zinc/91/60/52/822916052.db2.gz WRBYGKXWQZRWLS-UHFFFAOYSA-N 1 1 375.472 4.321 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)CCN2CCN(C)CC2)CCC3)cc1 ZINC000186575816 822916201 /nfs/dbraw/zinc/91/62/01/822916201.db2.gz IYOYVPXBVISHHY-UYAOXDASSA-N 1 1 398.620 4.112 20 0 GIADMO Cc1nc(-c2ccc([C@H](C)NC(=O)N3CC[N@H+](C4CC4)C[C@@H](C)C3)cc2)cs1 ZINC000457775645 822918019 /nfs/dbraw/zinc/91/80/19/822918019.db2.gz NYECYFMQWDADFP-CVEARBPZSA-N 1 1 398.576 4.305 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC(=O)c1ccc(C)s1 ZINC000175269535 822920367 /nfs/dbraw/zinc/92/03/67/822920367.db2.gz VCNOJZORRNKERX-FQEVSTJZSA-N 1 1 398.572 4.390 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc2nc(C)ccc2o1 ZINC000175271772 822920989 /nfs/dbraw/zinc/92/09/89/822920989.db2.gz CFWRZUIPKONTBH-LJQANCHMSA-N 1 1 377.488 4.120 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186598984 822921207 /nfs/dbraw/zinc/92/12/07/822921207.db2.gz MHILFZPGEOVCCN-RBUKOAKNSA-N 1 1 385.527 4.295 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000175272810 822921413 /nfs/dbraw/zinc/92/14/13/822921413.db2.gz KHLXBQGDBOOOCG-SFHVURJKSA-N 1 1 394.544 4.122 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000186603340 822922084 /nfs/dbraw/zinc/92/20/84/822922084.db2.gz QBZLWHBDUZHPHV-CVEARBPZSA-N 1 1 389.531 4.018 20 0 GIADMO CCCOc1cc(C)ccc1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000175277629 822922409 /nfs/dbraw/zinc/92/24/09/822922409.db2.gz YFNKUJSAKRNWBP-UHFFFAOYSA-N 1 1 382.508 4.278 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC(F)F)c1 ZINC000175278426 822922737 /nfs/dbraw/zinc/92/27/37/822922737.db2.gz VXKZZOAKZPBDAQ-SFHVURJKSA-N 1 1 388.458 4.272 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cn3)C2)C1 ZINC000457820936 822922796 /nfs/dbraw/zinc/92/27/96/822922796.db2.gz LYCOPJJMMAEKFR-NRFANRHFSA-N 1 1 385.895 4.085 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2ncsc2c1 ZINC000175278354 822922825 /nfs/dbraw/zinc/92/28/25/822922825.db2.gz UKKDTINTNFVLHT-GOSISDBHSA-N 1 1 379.529 4.281 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000175287661 822925117 /nfs/dbraw/zinc/92/51/17/822925117.db2.gz GKBVXLPJUSSUDB-IBGZPJMESA-N 1 1 394.515 4.091 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2c(C)cc(C)cc2Cl)cn1 ZINC000054984696 822928558 /nfs/dbraw/zinc/92/85/58/822928558.db2.gz KKAIMLKOCFCXJW-UHFFFAOYSA-N 1 1 385.924 4.333 20 0 GIADMO C[C@@]1(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C[C@H]1c1ccccc1 ZINC000457897419 822930304 /nfs/dbraw/zinc/93/03/04/822930304.db2.gz YQSRTOQFRQICEY-WMZHIEFXSA-N 1 1 399.485 4.175 20 0 GIADMO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000569501239 822930507 /nfs/dbraw/zinc/93/05/07/822930507.db2.gz NCNSRBJFYNZKFE-KDOFPFPSSA-N 1 1 399.926 4.234 20 0 GIADMO COc1cc(C)c([C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1OC ZINC000186657149 822930999 /nfs/dbraw/zinc/93/09/99/822930999.db2.gz RJIJYRXBJREGEB-NYHFZMIOSA-N 1 1 383.467 4.325 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CCc1ccc(F)cc1 ZINC000055024314 822932020 /nfs/dbraw/zinc/93/20/20/822932020.db2.gz PKSGOYLFUCKYPA-UHFFFAOYSA-N 1 1 394.494 4.131 20 0 GIADMO C[N@@H+]1CC[C@H](N[C@H](C(=O)Nc2ccccc2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000569533216 822935755 /nfs/dbraw/zinc/93/57/55/822935755.db2.gz FJIQGISFXQDQLS-HJOGWXRNSA-N 1 1 385.511 4.401 20 0 GIADMO C[N@H+]1CC[C@H](N[C@H](C(=O)Nc2ccccc2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000569533216 822935758 /nfs/dbraw/zinc/93/57/58/822935758.db2.gz FJIQGISFXQDQLS-HJOGWXRNSA-N 1 1 385.511 4.401 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000186681692 822936144 /nfs/dbraw/zinc/93/61/44/822936144.db2.gz DXKNWKYFUHAMQM-QGZVFWFLSA-N 1 1 391.437 4.360 20 0 GIADMO COc1ccc(-c2nnc(C[NH+]3CCC(COc4ccccc4)CC3)o2)cc1 ZINC000055082206 822936718 /nfs/dbraw/zinc/93/67/18/822936718.db2.gz SDTVFRPAGOMQQR-UHFFFAOYSA-N 1 1 379.460 4.036 20 0 GIADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cc(-c4cccs4)on3)CC2)cc1 ZINC000175329883 822936819 /nfs/dbraw/zinc/93/68/19/822936819.db2.gz WFYSLORCSXCZBG-UHFFFAOYSA-N 1 1 395.528 4.240 20 0 GIADMO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055102183 822938281 /nfs/dbraw/zinc/93/82/81/822938281.db2.gz LUFVTZYIKAQGBL-LJQANCHMSA-N 1 1 378.516 4.019 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2(c3ccccc3)CC(=O)C2)c1 ZINC000569563142 822940544 /nfs/dbraw/zinc/94/05/44/822940544.db2.gz DSYSRPXHIBHQGB-UHFFFAOYSA-N 1 1 387.483 4.294 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N(C1CC1)C1CCCC1 ZINC000175345903 822940907 /nfs/dbraw/zinc/94/09/07/822940907.db2.gz RTAJPQNBYDQLKU-UHFFFAOYSA-N 1 1 377.479 4.046 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000055152475 822941226 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GIADMO O=C(CCc1ccoc1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000175394735 822957929 /nfs/dbraw/zinc/95/79/29/822957929.db2.gz WCNXAOCVMPRZKN-UHFFFAOYSA-N 1 1 381.303 4.300 20 0 GIADMO Cc1cc(CSc2ccccc2C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)on1 ZINC000055404627 822958154 /nfs/dbraw/zinc/95/81/54/822958154.db2.gz ACNZCAQTRQZFLL-RDJZCZTQSA-N 1 1 387.549 4.126 20 0 GIADMO O=C(CC[N@H+]1CCSC2(CCOCC2)C1)Nc1ccccc1-c1ccccc1 ZINC000186808864 822958844 /nfs/dbraw/zinc/95/88/44/822958844.db2.gz UUHZMAUCHKJWKV-UHFFFAOYSA-N 1 1 396.556 4.280 20 0 GIADMO CCSCc1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000055418169 822959501 /nfs/dbraw/zinc/95/95/01/822959501.db2.gz QFHMQEQQYAYDPY-UHFFFAOYSA-N 1 1 383.561 4.334 20 0 GIADMO COc1cccc(Oc2ccc(NC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc2)c1 ZINC000175407998 822961601 /nfs/dbraw/zinc/96/16/01/822961601.db2.gz AFLJHLRHIKWOPC-QGZVFWFLSA-N 1 1 383.492 4.293 20 0 GIADMO COc1c(F)cc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1F ZINC000175412482 822962712 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Cc1ccc(C(C)(C)NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000570376001 823031110 /nfs/dbraw/zinc/03/11/10/823031110.db2.gz UZSJBQJPYUCZFR-OAQYLSRUSA-N 1 1 394.563 4.227 20 0 GIADMO C[C@@H](c1ccco1)N(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C1CC1 ZINC000175756601 823032724 /nfs/dbraw/zinc/03/27/24/823032724.db2.gz CMYAPCXZUTXZAT-KSSFIOAISA-N 1 1 375.900 4.471 20 0 GIADMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000570408108 823034172 /nfs/dbraw/zinc/03/41/72/823034172.db2.gz WJRPYJAEZWNXLW-SJLPKXTDSA-N 1 1 384.549 4.082 20 0 GIADMO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000570408108 823034176 /nfs/dbraw/zinc/03/41/76/823034176.db2.gz WJRPYJAEZWNXLW-SJLPKXTDSA-N 1 1 384.549 4.082 20 0 GIADMO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1cncc(Br)c1 ZINC000570411232 823034449 /nfs/dbraw/zinc/03/44/49/823034449.db2.gz LZDSMIOCQKHMPR-JTQLQIEISA-N 1 1 379.689 4.235 20 0 GIADMO Cc1ccccc1O[C@@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175769540 823035927 /nfs/dbraw/zinc/03/59/27/823035927.db2.gz MOEWCUOHLBNCOK-SFHVURJKSA-N 1 1 399.560 4.133 20 0 GIADMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(C2CC2)nc2ccc(OC)cc21 ZINC000570423653 823035978 /nfs/dbraw/zinc/03/59/78/823035978.db2.gz PBJQFGPHEYFQTC-KRWDZBQOSA-N 1 1 381.520 4.067 20 0 GIADMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(F)cc2c1OCOC2 ZINC000570423297 823036194 /nfs/dbraw/zinc/03/61/94/823036194.db2.gz UVRQWRYEHHOGGR-NRFANRHFSA-N 1 1 384.495 4.083 20 0 GIADMO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000570423297 823036199 /nfs/dbraw/zinc/03/61/99/823036199.db2.gz UVRQWRYEHHOGGR-NRFANRHFSA-N 1 1 384.495 4.083 20 0 GIADMO C[C@@H]1[C@@H](NC(=O)N2CCCCC[C@H]2c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000570423219 823036242 /nfs/dbraw/zinc/03/62/42/823036242.db2.gz DGMRXOINMOKNKZ-OIBXWCBGSA-N 1 1 392.547 4.371 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC[N@H+]1C ZINC000175771441 823036568 /nfs/dbraw/zinc/03/65/68/823036568.db2.gz CVUGSWFJFLPPGK-APWZRJJASA-N 1 1 385.483 4.351 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)NC3(Cc4cccc(Cl)c4)CC3)CC2)[nH+]1 ZINC000458406183 823037371 /nfs/dbraw/zinc/03/73/71/823037371.db2.gz VEBLDUYNFNARSV-UHFFFAOYSA-N 1 1 398.938 4.087 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]2C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000458411144 823037637 /nfs/dbraw/zinc/03/76/37/823037637.db2.gz ZAHVVOWZVKLREN-BHIYHBOVSA-N 1 1 395.469 4.282 20 0 GIADMO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(Oc3ncccc3C)CC2)n1 ZINC000570438382 823038629 /nfs/dbraw/zinc/03/86/29/823038629.db2.gz GFFZOIHEKVRAQA-KRWDZBQOSA-N 1 1 378.476 4.353 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC[N@H+]1C ZINC000187299055 823039284 /nfs/dbraw/zinc/03/92/84/823039284.db2.gz NIMOBAFOBZEBJD-JSGCOSHPSA-N 1 1 388.861 4.332 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)[C@H]1c1cccs1 ZINC000458436831 823040302 /nfs/dbraw/zinc/04/03/02/823040302.db2.gz RNNKXLOYFGGVKN-HOJAQTOUSA-N 1 1 398.576 4.319 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000187306591 823040335 /nfs/dbraw/zinc/04/03/35/823040335.db2.gz VTLIBABVOXBNCF-UHFFFAOYSA-N 1 1 380.916 4.102 20 0 GIADMO Cc1ccccc1CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000458440098 823040463 /nfs/dbraw/zinc/04/04/63/823040463.db2.gz USMKYCXGMCFWFO-CTNGQTDRSA-N 1 1 385.577 4.324 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000187313532 823041943 /nfs/dbraw/zinc/04/19/43/823041943.db2.gz VHPLSNZHOQIAAB-UHFFFAOYSA-N 1 1 379.426 4.130 20 0 GIADMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000123814914 823542783 /nfs/dbraw/zinc/54/27/83/823542783.db2.gz JTROFDJDLCOGOU-PGRDOPGGSA-N 1 1 384.564 4.149 20 0 GIADMO COc1ccccc1/C=C(/C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000123833543 823544110 /nfs/dbraw/zinc/54/41/10/823544110.db2.gz HTXSRKFUGWKJCX-BWAWGCSNSA-N 1 1 378.516 4.177 20 0 GIADMO Cc1ccc2c(c1C)N(C(=O)c1cnn(-c3cc[nH+]cc3)c1C(F)F)CCC2 ZINC000411094796 823544744 /nfs/dbraw/zinc/54/47/44/823544744.db2.gz PSWSFERYMKNBHZ-UHFFFAOYSA-N 1 1 382.414 4.415 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123863851 823547370 /nfs/dbraw/zinc/54/73/70/823547370.db2.gz LFIPMUXEZRSGHW-ACJLOTCBSA-N 1 1 382.813 4.180 20 0 GIADMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2Sc2ccccc2)CC[N@H+]1C ZINC000123866968 823547576 /nfs/dbraw/zinc/54/75/76/823547576.db2.gz AQURTBCAWUNAHE-MSOLQXFVSA-N 1 1 383.561 4.191 20 0 GIADMO C[C@@H]1C[C@H](CCNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000460948011 823548502 /nfs/dbraw/zinc/54/85/02/823548502.db2.gz IJPCKVOGTRAWBB-CBQOVEMMSA-N 1 1 381.564 4.261 20 0 GIADMO Cc1ccc(Br)cc1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000460949654 823549050 /nfs/dbraw/zinc/54/90/50/823549050.db2.gz NGEICTSBWFPKIR-UXLLHSPISA-N 1 1 379.342 4.235 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(F)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123918708 823551573 /nfs/dbraw/zinc/55/15/73/823551573.db2.gz OGNXVTPGGIZBTM-XOBRGWDASA-N 1 1 396.840 4.109 20 0 GIADMO CC[C@]1(CO)CCC[N@H+](Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000190213668 823551615 /nfs/dbraw/zinc/55/16/15/823551615.db2.gz CLYBHJBKLDCHJD-FQEVSTJZSA-N 1 1 379.907 4.017 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+](Cc2c(C)nn(Cc3ccc(F)cc3)c2Cl)C1 ZINC000190213668 823551617 /nfs/dbraw/zinc/55/16/17/823551617.db2.gz CLYBHJBKLDCHJD-FQEVSTJZSA-N 1 1 379.907 4.017 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N(C[C@H]1CCOC1)C1CC1)C1CCCCC1 ZINC000123923340 823552029 /nfs/dbraw/zinc/55/20/29/823552029.db2.gz FNGTVVICERXUNQ-GOSISDBHSA-N 1 1 385.552 4.484 20 0 GIADMO Cc1c(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)cnn1-c1cc[nH+]cc1 ZINC000123935950 823553156 /nfs/dbraw/zinc/55/31/56/823553156.db2.gz VJFSZEATNRIPGG-QGZVFWFLSA-N 1 1 392.503 4.114 20 0 GIADMO CC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000123940836 823553702 /nfs/dbraw/zinc/55/37/02/823553702.db2.gz PDDLROMGPYDZID-YLJYHZDGSA-N 1 1 388.870 4.105 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2ccccc2)c1 ZINC000123949599 823554291 /nfs/dbraw/zinc/55/42/91/823554291.db2.gz DUAQVDHWSJGLKD-LJQANCHMSA-N 1 1 395.547 4.060 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1(c2ccccc2Br)CC1 ZINC000190248564 823555711 /nfs/dbraw/zinc/55/57/11/823555711.db2.gz UCRFWSVUODKPFS-INIZCTEOSA-N 1 1 393.369 4.252 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC4CCC5(CC4)OCCO5)CC3)c2c1 ZINC000190290830 823559658 /nfs/dbraw/zinc/55/96/58/823559658.db2.gz ZMXRERYJIPFXJD-UHFFFAOYSA-N 1 1 382.504 4.199 20 0 GIADMO C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411244696 823559895 /nfs/dbraw/zinc/55/98/95/823559895.db2.gz ILXAPMQTKOFYIG-DVSDUFGPSA-N 1 1 376.504 4.030 20 0 GIADMO C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411244696 823559900 /nfs/dbraw/zinc/55/99/00/823559900.db2.gz ILXAPMQTKOFYIG-DVSDUFGPSA-N 1 1 376.504 4.030 20 0 GIADMO C[C@@H](C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411244696 823559905 /nfs/dbraw/zinc/55/99/05/823559905.db2.gz ILXAPMQTKOFYIG-DVSDUFGPSA-N 1 1 376.504 4.030 20 0 GIADMO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c21 ZINC000124017892 823560342 /nfs/dbraw/zinc/56/03/42/823560342.db2.gz PQYCOFZGMPZHIE-LSDHHAIUSA-N 1 1 396.491 4.161 20 0 GIADMO COc1cc(C)c([C@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1OC ZINC000190320811 823562477 /nfs/dbraw/zinc/56/24/77/823562477.db2.gz IRTXJNOTLAULMV-AWEZNQCLSA-N 1 1 387.430 4.327 20 0 GIADMO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccn(-c3ccc(F)cc3F)n2)cc1OC ZINC000190320795 823562497 /nfs/dbraw/zinc/56/24/97/823562497.db2.gz IRTXJNOTLAULMV-CQSZACIVSA-N 1 1 387.430 4.327 20 0 GIADMO C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2F)n1)c1ccc(-n2cccn2)cc1 ZINC000190325558 823562975 /nfs/dbraw/zinc/56/29/75/823562975.db2.gz JAZIUOVSHOSZHX-HNNXBMFYSA-N 1 1 379.414 4.187 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2ccc(Br)cc2)C1 ZINC000124056444 823563665 /nfs/dbraw/zinc/56/36/65/823563665.db2.gz PTXVFWZSXNLPCL-HZPDHXFCSA-N 1 1 381.358 4.037 20 0 GIADMO CCCN1CCC([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411310195 823563963 /nfs/dbraw/zinc/56/39/63/823563963.db2.gz UEIODPSYSXTGGD-HSZRJFAPSA-N 1 1 399.604 4.150 20 0 GIADMO CCCN1CCC([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411310195 823563964 /nfs/dbraw/zinc/56/39/64/823563964.db2.gz UEIODPSYSXTGGD-HSZRJFAPSA-N 1 1 399.604 4.150 20 0 GIADMO C[C@@H]1C[C@H](N(C)Cc2c(Cl)nc(Cl)n2C)CC[N@H+]1Cc1ccccc1 ZINC000124061747 823564226 /nfs/dbraw/zinc/56/42/26/823564226.db2.gz BPLDFSBGJYBOOR-GDBMZVCRSA-N 1 1 381.351 4.212 20 0 GIADMO CCc1ccc([C@H]2C[N@H+](Cc3ccc(C(=O)N4CCCC4)cc3)CCO2)cc1 ZINC000190334801 823564299 /nfs/dbraw/zinc/56/42/99/823564299.db2.gz NVDXVJDTKCIECZ-HSZRJFAPSA-N 1 1 378.516 4.059 20 0 GIADMO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(C(=O)N4CCCC4)cc3)CCO2)cc1 ZINC000190334801 823564303 /nfs/dbraw/zinc/56/43/03/823564303.db2.gz NVDXVJDTKCIECZ-HSZRJFAPSA-N 1 1 378.516 4.059 20 0 GIADMO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000060877270 823564328 /nfs/dbraw/zinc/56/43/28/823564328.db2.gz RLFRTVXVQJWKQC-CQSZACIVSA-N 1 1 380.916 4.340 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1)c1ccccc1 ZINC000411338928 823565183 /nfs/dbraw/zinc/56/51/83/823565183.db2.gz XUAGYGVFEBUOGP-KRWDZBQOSA-N 1 1 393.462 4.123 20 0 GIADMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000461050776 823565866 /nfs/dbraw/zinc/56/58/66/823565866.db2.gz UJUKSESQKMUDPA-HNNXBMFYSA-N 1 1 393.959 4.129 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(C(F)(F)F)n2)cc1F ZINC000124086252 823566323 /nfs/dbraw/zinc/56/63/23/823566323.db2.gz YXHOOVKFULTDEM-UHFFFAOYSA-N 1 1 393.344 4.055 20 0 GIADMO CC[C@@H](C[N@H+](C)CC(=O)Nc1c(C)n[nH]c1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190380186 823567722 /nfs/dbraw/zinc/56/77/22/823567722.db2.gz WAOSGKODJXVIJQ-ZDUSSCGKSA-N 1 1 399.322 4.061 20 0 GIADMO CC[C@@H](C[N@@H+](C)CC(=O)Nc1c(C)n[nH]c1C)Oc1ccc(Cl)c(Cl)c1 ZINC000190380186 823567724 /nfs/dbraw/zinc/56/77/24/823567724.db2.gz WAOSGKODJXVIJQ-ZDUSSCGKSA-N 1 1 399.322 4.061 20 0 GIADMO COc1ccccc1-c1nc(CN2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000060942618 823568342 /nfs/dbraw/zinc/56/83/42/823568342.db2.gz JJLXPPLKDOHZMK-UHFFFAOYSA-N 1 1 385.558 4.198 20 0 GIADMO COC(=O)c1ccc2c(c1)nc(C[NH2+]C1(c3ccccc3)CCCCC1)[nH]c2=O ZINC000411396117 823569835 /nfs/dbraw/zinc/56/98/35/823569835.db2.gz XAOSSBDVWRXFRF-UHFFFAOYSA-N 1 1 391.471 4.071 20 0 GIADMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1Br)CCc1nccs1 ZINC000411403271 823570598 /nfs/dbraw/zinc/57/05/98/823570598.db2.gz UDDAKFOSPCOZPS-UHFFFAOYSA-N 1 1 396.354 4.187 20 0 GIADMO CC1(C)Cc2cccc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)c2O1 ZINC000124141048 823571285 /nfs/dbraw/zinc/57/12/85/823571285.db2.gz CPTYAPAPQOKRGY-IBGZPJMESA-N 1 1 380.536 4.098 20 0 GIADMO C[C@H](c1ccccn1)[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411421523 823572365 /nfs/dbraw/zinc/57/23/65/823572365.db2.gz MUUBYMRTWHSMRX-VGOFRKELSA-N 1 1 379.529 4.432 20 0 GIADMO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCC[C@H]4c4cccnc4)nc(N)c23)C1 ZINC000411424184 823572744 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CCOc1ccc(NC(=O)CC[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000411441407 823574434 /nfs/dbraw/zinc/57/44/34/823574434.db2.gz IZWBIKLGDPXBNG-UHFFFAOYSA-N 1 1 379.460 4.104 20 0 GIADMO O=C(CC[N@H+](Cc1ccco1)Cc1cccnc1)N[C@@H]1CCCc2ccccc21 ZINC000411445393 823574803 /nfs/dbraw/zinc/57/48/03/823574803.db2.gz OUBFFWVHZZGLOU-HSZRJFAPSA-N 1 1 389.499 4.261 20 0 GIADMO O=C(CC[N@@H+](Cc1ccco1)Cc1cccnc1)N[C@@H]1CCCc2ccccc21 ZINC000411445393 823574806 /nfs/dbraw/zinc/57/48/06/823574806.db2.gz OUBFFWVHZZGLOU-HSZRJFAPSA-N 1 1 389.499 4.261 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(OC3CCCC3)c(OC)c2)nc1 ZINC000411446613 823575206 /nfs/dbraw/zinc/57/52/06/823575206.db2.gz IRSSEROMNBDGEG-MRXNPFEDSA-N 1 1 398.503 4.439 20 0 GIADMO COc1cccc(-c2nc(C[NH+]3CCC(CC(=O)N4CCCC4)CC3)cs2)c1 ZINC000061048199 823575301 /nfs/dbraw/zinc/57/53/01/823575301.db2.gz DEFGHIIZOQNIMW-UHFFFAOYSA-N 1 1 399.560 4.043 20 0 GIADMO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000124184263 823575463 /nfs/dbraw/zinc/57/54/63/823575463.db2.gz CZEJTBWXNKIGQU-CQSZACIVSA-N 1 1 375.432 4.213 20 0 GIADMO O=C(CC1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1)N1CCCC1 ZINC000061050517 823575622 /nfs/dbraw/zinc/57/56/22/823575622.db2.gz GGBXHGNULSCQKG-UHFFFAOYSA-N 1 1 387.911 4.220 20 0 GIADMO CC(=O)N(c1nn(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c(=S)s1)C1CC1 ZINC000124189313 823575991 /nfs/dbraw/zinc/57/59/91/823575991.db2.gz OOXVTUHEWNVIHW-MRXNPFEDSA-N 1 1 380.583 4.192 20 0 GIADMO CC(=O)N(c1nn(C[N@H+]2CCC[C@@H]2C2CCCCC2)c(=S)s1)C1CC1 ZINC000124189313 823575994 /nfs/dbraw/zinc/57/59/94/823575994.db2.gz OOXVTUHEWNVIHW-MRXNPFEDSA-N 1 1 380.583 4.192 20 0 GIADMO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2ccccc2Oc2ccccc2)CC1 ZINC000411452363 823576224 /nfs/dbraw/zinc/57/62/24/823576224.db2.gz IQYVFWKUKHQIAA-LJQANCHMSA-N 1 1 395.547 4.119 20 0 GIADMO C[N@H+]1CCCC12CCN(Cc1nc(=O)c3cc(-c4ccccc4)sc3[nH]1)CC2 ZINC000411456819 823576815 /nfs/dbraw/zinc/57/68/15/823576815.db2.gz ZUWSBVUXXPOPPC-UHFFFAOYSA-N 1 1 394.544 4.124 20 0 GIADMO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000411456259 823576828 /nfs/dbraw/zinc/57/68/28/823576828.db2.gz JQZLCNKVLXHNHA-GOSISDBHSA-N 1 1 391.309 4.325 20 0 GIADMO Fc1cccc(N2CCCC2)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124205354 823577282 /nfs/dbraw/zinc/57/72/82/823577282.db2.gz WAIRSBLRMLZFLW-GOSISDBHSA-N 1 1 397.542 4.123 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnn2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000190459161 823577396 /nfs/dbraw/zinc/57/73/96/823577396.db2.gz ZEKLIXDJHNEHBA-MJGOQNOKSA-N 1 1 383.540 4.155 20 0 GIADMO COc1ccc2oc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc2c1 ZINC000124210481 823577626 /nfs/dbraw/zinc/57/76/26/823577626.db2.gz IZLIECGPRDZWDS-MRXNPFEDSA-N 1 1 380.492 4.139 20 0 GIADMO CCCCCCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000124218968 823578529 /nfs/dbraw/zinc/57/85/29/823578529.db2.gz ZBECVCFYPLUVIT-IEBWSBKVSA-N 1 1 376.541 4.209 20 0 GIADMO Cc1csc(N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000061159283 823581220 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C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000411526430 823584877 /nfs/dbraw/zinc/58/48/77/823584877.db2.gz NYSHXKYIABHJGK-CVDCTZTESA-N 1 1 389.499 4.287 20 0 GIADMO CCc1nc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(Br)c2)cs1 ZINC000411530147 823585143 /nfs/dbraw/zinc/58/51/43/823585143.db2.gz JLBBWTYBRNPWIZ-LLVKDONJSA-N 1 1 382.327 4.147 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190558786 823586395 /nfs/dbraw/zinc/58/63/95/823586395.db2.gz SIAFTTQOIAEWCX-NFBKMPQASA-N 1 1 392.543 4.183 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000124323074 823587261 /nfs/dbraw/zinc/58/72/61/823587261.db2.gz BFSNZSCPTDWPPA-INIZCTEOSA-N 1 1 387.524 4.057 20 0 GIADMO Brc1ccc([C@H]([NH2+]Cc2nnc3n2CCCCC3)C2CC2)s1 ZINC000190572467 823587334 /nfs/dbraw/zinc/58/73/34/823587334.db2.gz FEYHCVNXCMTKOQ-MRXNPFEDSA-N 1 1 381.343 4.069 20 0 GIADMO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1 ZINC000124330334 823587863 /nfs/dbraw/zinc/58/78/63/823587863.db2.gz VHIXIKPUNNCWFN-LJQANCHMSA-N 1 1 394.437 4.262 20 0 GIADMO CC(C)Oc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000061283778 823589041 /nfs/dbraw/zinc/58/90/41/823589041.db2.gz AWVQCLWVFCXKNF-FQEVSTJZSA-N 1 1 389.927 4.229 20 0 GIADMO O=C(CCOc1ccccc1Cl)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061284986 823589306 /nfs/dbraw/zinc/58/93/06/823589306.db2.gz RGJYJKYVHADCOM-UHFFFAOYSA-N 1 1 390.936 4.296 20 0 GIADMO OCCC[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccc1 ZINC000124387717 823592457 /nfs/dbraw/zinc/59/24/57/823592457.db2.gz VPACRHUIWKOGIO-SFHVURJKSA-N 1 1 382.485 4.142 20 0 GIADMO COc1ccc(CCCC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000061375181 823593959 /nfs/dbraw/zinc/59/39/59/823593959.db2.gz FVHYEOLQUOHOTD-UHFFFAOYSA-N 1 1 380.532 4.061 20 0 GIADMO CCC(CC)n1nccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000124412133 823594553 /nfs/dbraw/zinc/59/45/53/823594553.db2.gz FWIKYFQIIYQDMU-IFMALSPDSA-N 1 1 394.563 4.371 20 0 GIADMO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411652693 823594572 /nfs/dbraw/zinc/59/45/72/823594572.db2.gz ZFEGPPFGSVUDRH-GOSISDBHSA-N 1 1 382.401 4.376 20 0 GIADMO CC(C)[N@H+](Cc1ccc(-c2ncco2)cc1F)C[C@H](O)COc1ccccc1 ZINC000411653332 823594747 /nfs/dbraw/zinc/59/47/47/823594747.db2.gz ZWLKKAPLPSCKPR-IBGZPJMESA-N 1 1 384.451 4.131 20 0 GIADMO COc1cccc([C@H]2[C@@H](NCc3cc(-c4ccco4)on3)CC[N@@H+]2C2CC2)c1 ZINC000411688426 823597050 /nfs/dbraw/zinc/59/70/50/823597050.db2.gz CLLHNWDSFGMZFM-UGKGYDQZSA-N 1 1 379.460 4.011 20 0 GIADMO COc1cccc([C@H]2[C@@H](NCc3cc(-c4ccco4)on3)CC[N@H+]2C2CC2)c1 ZINC000411688426 823597054 /nfs/dbraw/zinc/59/70/54/823597054.db2.gz CLLHNWDSFGMZFM-UGKGYDQZSA-N 1 1 379.460 4.011 20 0 GIADMO CCc1n[nH]c(C2CC[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)n1 ZINC000190679334 823597789 /nfs/dbraw/zinc/59/77/89/823597789.db2.gz JFPXQBHTVMQMPX-UHFFFAOYSA-N 1 1 385.512 4.094 20 0 GIADMO CCc1nc(C2CC[NH+](Cc3cccc(NC(=O)OC(C)(C)C)c3)CC2)n[nH]1 ZINC000190679334 823597790 /nfs/dbraw/zinc/59/77/90/823597790.db2.gz JFPXQBHTVMQMPX-UHFFFAOYSA-N 1 1 385.512 4.094 20 0 GIADMO Cc1nc(CC(C)C)oc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000190683971 823598210 /nfs/dbraw/zinc/59/82/10/823598210.db2.gz ZGDBQIASRPZVNG-NHCUHLMSSA-N 1 1 395.547 4.308 20 0 GIADMO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000061449930 823598186 /nfs/dbraw/zinc/59/81/86/823598186.db2.gz ABUPPLPSKVLFJK-PXNSSMCTSA-N 1 1 377.488 4.458 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@H](O)COCc1ccco1 ZINC000124475921 823599965 /nfs/dbraw/zinc/59/99/65/823599965.db2.gz CGKMFMYIUPISNY-AEFFLSMTSA-N 1 1 386.517 4.282 20 0 GIADMO COCC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccn1 ZINC000411727856 823600609 /nfs/dbraw/zinc/60/06/09/823600609.db2.gz BAZGMBJZKIFAFR-UHFFFAOYSA-N 1 1 389.499 4.226 20 0 GIADMO COCCCCc1ccc[nH+]c1NCc1ccc(OC)cc1Br ZINC000461221735 823600929 /nfs/dbraw/zinc/60/09/29/823600929.db2.gz SKELVDPCJAOUDL-UHFFFAOYSA-N 1 1 379.298 4.434 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)nc1 ZINC000411734976 823600989 /nfs/dbraw/zinc/60/09/89/823600989.db2.gz YRWNFEUQKJVCHA-NSHDSACASA-N 1 1 381.245 4.011 20 0 GIADMO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411748913 823602288 /nfs/dbraw/zinc/60/22/88/823602288.db2.gz UABDKERPTDTVDM-HSZRJFAPSA-N 1 1 380.463 4.298 20 0 GIADMO C[C@@H]1Cc2c([nH+]cn2CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C ZINC000411779052 823604253 /nfs/dbraw/zinc/60/42/53/823604253.db2.gz CJNYUNXSQRINTJ-NWDGAFQWSA-N 1 1 394.288 4.184 20 0 GIADMO C[C@@H]1Cc2[nH+]cn(CCC(=O)Nc3ccc(Br)cc3F)c2C[C@H]1C ZINC000411779054 823604277 /nfs/dbraw/zinc/60/42/77/823604277.db2.gz CJNYUNXSQRINTJ-VXGBXAGGSA-N 1 1 394.288 4.184 20 0 GIADMO COc1cccc(CN(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000061576438 823605030 /nfs/dbraw/zinc/60/50/30/823605030.db2.gz WEWOTFXJUUGUCF-UHFFFAOYSA-N 1 1 388.511 4.356 20 0 GIADMO Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124548355 823605569 /nfs/dbraw/zinc/60/55/69/823605569.db2.gz LRAQYEMCNQWQRQ-NHCUHLMSSA-N 1 1 397.563 4.150 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000461255403 823605772 /nfs/dbraw/zinc/60/57/72/823605772.db2.gz CQEZVBQWPCQCMW-GFCCVEGCSA-N 1 1 383.970 4.471 20 0 GIADMO COc1ccccc1NC(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000124551601 823605827 /nfs/dbraw/zinc/60/58/27/823605827.db2.gz SMHBGWBMSRDLNI-UHFFFAOYSA-N 1 1 387.483 4.360 20 0 GIADMO COc1ccccc1NC(=O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000124551601 823605829 /nfs/dbraw/zinc/60/58/29/823605829.db2.gz SMHBGWBMSRDLNI-UHFFFAOYSA-N 1 1 387.483 4.360 20 0 GIADMO CCCn1c(C)c(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c2cc(OC)ccc21 ZINC000461255431 823605922 /nfs/dbraw/zinc/60/59/22/823605922.db2.gz CVYPCBXBFNTLAW-GOSISDBHSA-N 1 1 385.552 4.315 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(-n3cccn3)cc2C)CC1 ZINC000190763529 823606125 /nfs/dbraw/zinc/60/61/25/823606125.db2.gz XZTIGSYDYRKKAC-UHFFFAOYSA-N 1 1 383.540 4.157 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000061644947 823607223 /nfs/dbraw/zinc/60/72/23/823607223.db2.gz CYUZDAXEUYKJED-GLDPYIMESA-N 1 1 392.543 4.032 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000061644947 823607224 /nfs/dbraw/zinc/60/72/24/823607224.db2.gz CYUZDAXEUYKJED-GLDPYIMESA-N 1 1 392.543 4.032 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124578879 823608000 /nfs/dbraw/zinc/60/80/00/823608000.db2.gz XZBKWPNVMZULDF-OTWHNJEPSA-N 1 1 398.547 4.164 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CSCc1ccc(Br)cc1 ZINC000461265248 823608678 /nfs/dbraw/zinc/60/86/78/823608678.db2.gz PPEGCTCYWKANDC-QGZVFWFLSA-N 1 1 399.398 4.015 20 0 GIADMO CC(C)(CNC(=O)Nc1ccc2c(c1)OC(C)(C)O2)[N@H+]1CCc2ccccc2C1 ZINC000061723126 823608903 /nfs/dbraw/zinc/60/89/03/823608903.db2.gz IXGLWADLTBHNJY-UHFFFAOYSA-N 1 1 395.503 4.152 20 0 GIADMO Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2C[C@@H]2CCCCO2)n1 ZINC000190791827 823609603 /nfs/dbraw/zinc/60/96/03/823609603.db2.gz ZUBNKZXWHFIMBY-XJKSGUPXSA-N 1 1 392.297 4.205 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCOc1ccccc1-c1ccccc1 ZINC000461273578 823610478 /nfs/dbraw/zinc/61/04/78/823610478.db2.gz TYGOXSGMTGLXQU-OAQYLSRUSA-N 1 1 380.532 4.455 20 0 GIADMO CC[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCSc2ccc(Br)cc21 ZINC000461382138 823626909 /nfs/dbraw/zinc/62/69/09/823626909.db2.gz AHGCBQOAWUTAQF-DGCLKSJQSA-N 1 1 384.261 4.231 20 0 GIADMO COC(=O)c1cccc(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000124617560 823611490 /nfs/dbraw/zinc/61/14/90/823611490.db2.gz GZVZXCGHRZPQOP-QFIPXVFZSA-N 1 1 388.467 4.251 20 0 GIADMO C[N@H+](Cc1ccc(-c2ncco2)cc1F)C1CCN(CCC(F)(F)F)CC1 ZINC000411871896 823611673 /nfs/dbraw/zinc/61/16/73/823611673.db2.gz LRJBOWAQJASYEP-UHFFFAOYSA-N 1 1 385.405 4.329 20 0 GIADMO C[N@@H+](Cc1ccc(-c2ncco2)cc1F)C1CCN(CCC(F)(F)F)CC1 ZINC000411871896 823611675 /nfs/dbraw/zinc/61/16/75/823611675.db2.gz LRJBOWAQJASYEP-UHFFFAOYSA-N 1 1 385.405 4.329 20 0 GIADMO Brc1cccc(-c2noc(C[N@H+]3CCSC4(CCC4)CC3)n2)c1 ZINC000411872262 823611715 /nfs/dbraw/zinc/61/17/15/823611715.db2.gz URANYPQJDRQGSZ-UHFFFAOYSA-N 1 1 394.338 4.361 20 0 GIADMO Cc1[nH+]ccn1CCCCSc1nnc(N2CCCC2)n1-c1ccc(C)cc1 ZINC000124643103 823613637 /nfs/dbraw/zinc/61/36/37/823613637.db2.gz WRYDEYZMWTZAMI-UHFFFAOYSA-N 1 1 396.564 4.253 20 0 GIADMO CC(C)Oc1cccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000061789057 823614340 /nfs/dbraw/zinc/61/43/40/823614340.db2.gz BHHZEXBMDDLQDY-UHFFFAOYSA-N 1 1 399.560 4.344 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000411919767 823614384 /nfs/dbraw/zinc/61/43/84/823614384.db2.gz BMSVEEKFGMKHTF-CJNGLKHVSA-N 1 1 390.270 4.351 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000411919767 823614386 /nfs/dbraw/zinc/61/43/86/823614386.db2.gz BMSVEEKFGMKHTF-CJNGLKHVSA-N 1 1 390.270 4.351 20 0 GIADMO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790145 823614465 /nfs/dbraw/zinc/61/44/65/823614465.db2.gz RTASGSFETKROIA-UHFFFAOYSA-N 1 1 387.524 4.429 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000411923250 823614542 /nfs/dbraw/zinc/61/45/42/823614542.db2.gz KMHRDOVDMBXKGV-LPHOPBHVSA-N 1 1 383.289 4.305 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1 ZINC000061794924 823615318 /nfs/dbraw/zinc/61/53/18/823615318.db2.gz BMMWPMXDWWNZIF-OAQYLSRUSA-N 1 1 393.535 4.211 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000411944949 823615700 /nfs/dbraw/zinc/61/57/00/823615700.db2.gz NOQFSRYCXNAKLG-IAGOWNOFSA-N 1 1 389.377 4.063 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000411944949 823615703 /nfs/dbraw/zinc/61/57/03/823615703.db2.gz NOQFSRYCXNAKLG-IAGOWNOFSA-N 1 1 389.377 4.063 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)c1 ZINC000061855866 823616209 /nfs/dbraw/zinc/61/62/09/823616209.db2.gz SCMIGNGRNMIZMO-JOCHJYFZSA-N 1 1 383.536 4.343 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000061856287 823616445 /nfs/dbraw/zinc/61/64/45/823616445.db2.gz DMLWURDGPVIUQZ-IBGZPJMESA-N 1 1 387.524 4.314 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000124680373 823616885 /nfs/dbraw/zinc/61/68/85/823616885.db2.gz WHZNTSNYQOWPPW-QRVBRYPASA-N 1 1 379.548 4.452 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000124680373 823616888 /nfs/dbraw/zinc/61/68/88/823616888.db2.gz WHZNTSNYQOWPPW-QRVBRYPASA-N 1 1 379.548 4.452 20 0 GIADMO COc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1F ZINC000061868122 823617010 /nfs/dbraw/zinc/61/70/10/823617010.db2.gz KXMVHSAAGTUMHS-QGZVFWFLSA-N 1 1 399.510 4.208 20 0 GIADMO CO[C@](C)([C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C1CC1 ZINC000411964645 823617102 /nfs/dbraw/zinc/61/71/02/823617102.db2.gz DMKRBRNKKPINLY-ZUOKHONESA-N 1 1 391.512 4.260 20 0 GIADMO CC[C@H](C)c1nnc(N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)n1Cc1cccs1 ZINC000461325381 823617878 /nfs/dbraw/zinc/61/78/78/823617878.db2.gz QKVNPVLJBLXCGQ-BQFCYCMXSA-N 1 1 375.586 4.068 20 0 GIADMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCCn1ccnc1C)CC2 ZINC000124692316 823618041 /nfs/dbraw/zinc/61/80/41/823618041.db2.gz BGKNEJHIHILSHZ-XMMPIXPASA-N 1 1 391.515 4.247 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(C(C)=O)c1)C(C)C ZINC000411987138 823618195 /nfs/dbraw/zinc/61/81/95/823618195.db2.gz QHMGNEYQVLFSDZ-FQEVSTJZSA-N 1 1 387.545 4.261 20 0 GIADMO CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1)c1ccc(F)cc1 ZINC000461329298 823618397 /nfs/dbraw/zinc/61/83/97/823618397.db2.gz CCMVIKDOFPOXMZ-VABKMULXSA-N 1 1 396.506 4.422 20 0 GIADMO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000190882805 823619302 /nfs/dbraw/zinc/61/93/02/823619302.db2.gz MTRNRSHZOBKJCK-OAQYLSRUSA-N 1 1 382.483 4.254 20 0 GIADMO CCCn1c(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc2ccccc21 ZINC000190883987 823619496 /nfs/dbraw/zinc/61/94/96/823619496.db2.gz HUKAFEVCHQKQGT-KDURUIRLSA-N 1 1 397.563 4.013 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000411998354 823619881 /nfs/dbraw/zinc/61/98/81/823619881.db2.gz KQRJWJHAJVRIOV-NPPFBWRTSA-N 1 1 396.506 4.245 20 0 GIADMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000411998354 823619883 /nfs/dbraw/zinc/61/98/83/823619883.db2.gz KQRJWJHAJVRIOV-NPPFBWRTSA-N 1 1 396.506 4.245 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000411998036 823619999 /nfs/dbraw/zinc/61/99/99/823619999.db2.gz KBPGAESAZFLPCY-UGKGYDQZSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000411998036 823620001 /nfs/dbraw/zinc/62/00/01/823620001.db2.gz KBPGAESAZFLPCY-UGKGYDQZSA-N 1 1 378.516 4.484 20 0 GIADMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412005213 823621294 /nfs/dbraw/zinc/62/12/94/823621294.db2.gz ZTTZILVCBRIECL-URXFXBBRSA-N 1 1 395.543 4.403 20 0 GIADMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412005221 823621409 /nfs/dbraw/zinc/62/14/09/823621409.db2.gz ZVIRUFORAVWTLV-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412005221 823621411 /nfs/dbraw/zinc/62/14/11/823621411.db2.gz ZVIRUFORAVWTLV-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412006055 823621512 /nfs/dbraw/zinc/62/15/12/823621512.db2.gz HCRDYCOYHAVHOU-QFIPXVFZSA-N 1 1 392.499 4.270 20 0 GIADMO OCC1([C@H]([NH2+]Cc2nnc(C3CC3)n2C2CC2)c2ccccc2)CCCCC1 ZINC000412007102 823621826 /nfs/dbraw/zinc/62/18/26/823621826.db2.gz IZZFOTXEHXAEAG-OAQYLSRUSA-N 1 1 380.536 4.264 20 0 GIADMO COc1ccc2c(c1)CC[N@@H+](Cc1nnc(-c3cc4c(s3)CCCC4)o1)CC2 ZINC000461359755 823622626 /nfs/dbraw/zinc/62/26/26/823622626.db2.gz JGMHQNAAOQNLSJ-UHFFFAOYSA-N 1 1 395.528 4.286 20 0 GIADMO COc1ccc2c(c1)CC[N@H+](Cc1nnc(-c3cc4c(s3)CCCC4)o1)CC2 ZINC000461359755 823622628 /nfs/dbraw/zinc/62/26/28/823622628.db2.gz JGMHQNAAOQNLSJ-UHFFFAOYSA-N 1 1 395.528 4.286 20 0 GIADMO CC[C@H](O)C[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000461360161 823622649 /nfs/dbraw/zinc/62/26/49/823622649.db2.gz DDKGIQOLUKCWSG-SFHVURJKSA-N 1 1 397.544 4.450 20 0 GIADMO CC[C@H](O)C[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)Cc1ccccc1 ZINC000461360161 823622651 /nfs/dbraw/zinc/62/26/51/823622651.db2.gz DDKGIQOLUKCWSG-SFHVURJKSA-N 1 1 397.544 4.450 20 0 GIADMO COC1([C@@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CCC1 ZINC000412020617 823623150 /nfs/dbraw/zinc/62/31/50/823623150.db2.gz JLKSLWMNTVDUDQ-CYBMUJFWSA-N 1 1 377.485 4.014 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC000412056527 823624595 /nfs/dbraw/zinc/62/45/95/823624595.db2.gz OSIDGYBXEHCECZ-OAHLLOKOSA-N 1 1 385.733 4.079 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2Cl)CC1 ZINC000412056527 823624596 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CC(C)Oc1cccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000062229354 823625043 /nfs/dbraw/zinc/62/50/43/823625043.db2.gz IDCQQZMZMKCNOX-JOCHJYFZSA-N 1 1 380.532 4.045 20 0 GIADMO O=C(CCOc1ccccc1Cl)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062230375 823625107 /nfs/dbraw/zinc/62/51/07/823625107.db2.gz OQAHMFUQKSUJJD-IBGZPJMESA-N 1 1 386.923 4.137 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000412130382 823628634 /nfs/dbraw/zinc/62/86/34/823628634.db2.gz VJWNGOCMOOMKJC-HKUYNNGSSA-N 1 1 398.526 4.046 20 0 GIADMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(C(F)F)cc1)CC2 ZINC000461393960 823628780 /nfs/dbraw/zinc/62/87/80/823628780.db2.gz CTIIWNBEDRDFAH-UHFFFAOYSA-N 1 1 377.431 4.251 20 0 GIADMO COc1cc(Cl)c(F)c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000412132274 823628896 /nfs/dbraw/zinc/62/88/96/823628896.db2.gz PTYFYLMEXUZUDO-KPZWWZAWSA-N 1 1 396.915 4.362 20 0 GIADMO Cc1ccc(-c2noc(CN3CC[NH+](Cc4ccc(C(F)F)cc4)CC3)n2)cc1 ZINC000461394937 823628971 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GIADMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1 ZINC000124992595 823643376 /nfs/dbraw/zinc/64/33/76/823643376.db2.gz BCUYWIJFMSBOJX-QFIPXVFZSA-N 1 1 382.504 4.225 20 0 GIADMO CCC[C@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000461470807 823643708 /nfs/dbraw/zinc/64/37/08/823643708.db2.gz ZIUOJGBDZZHWEO-YADHBBJMSA-N 1 1 379.548 4.384 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(F)c1F ZINC000461471570 823643742 /nfs/dbraw/zinc/64/37/42/823643742.db2.gz FGCYAJPHABNVRF-INIZCTEOSA-N 1 1 376.422 4.136 20 0 GIADMO Cc1ccc2oc(C(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2n1 ZINC000461474367 823644235 /nfs/dbraw/zinc/64/42/35/823644235.db2.gz MVAHLPQLUMRJQC-LJQANCHMSA-N 1 1 377.488 4.168 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccccc3)n2Cc2cccs2)C[C@H]1C ZINC000461478194 823644831 /nfs/dbraw/zinc/64/48/31/823644831.db2.gz IBDJBUVTYUSDKB-IEBWSBKVSA-N 1 1 395.576 4.364 20 0 GIADMO Cc1ccc(-c2nnc(N(C)[C@H]3CC[N@H+](C4CC4)C3)n2Cc2cccs2)s1 ZINC000461503191 823649947 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382.504 4.364 20 0 GIADMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000125166428 823656291 /nfs/dbraw/zinc/65/62/91/823656291.db2.gz QLHHDVVJIBZSEH-KRWDZBQOSA-N 1 1 382.504 4.364 20 0 GIADMO CCc1cc2c(ncnc2NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000063248369 823656707 /nfs/dbraw/zinc/65/67/07/823656707.db2.gz QVNBVXORYOILLM-HNNXBMFYSA-N 1 1 382.533 4.087 20 0 GIADMO CCc1cc2c(ncnc2NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)s1 ZINC000063248369 823656708 /nfs/dbraw/zinc/65/67/08/823656708.db2.gz QVNBVXORYOILLM-HNNXBMFYSA-N 1 1 382.533 4.087 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nc(-c2cccs2)no1 ZINC000191183210 823657270 /nfs/dbraw/zinc/65/72/70/823657270.db2.gz KXTODSCYKVPUAL-MGPQQGTHSA-N 1 1 392.525 4.285 20 0 GIADMO O=C(NC[C@@H]1CCCO1)c1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000063266429 823658397 /nfs/dbraw/zinc/65/83/97/823658397.db2.gz SSPZMJIPUVFMJV-SFHVURJKSA-N 1 1 395.890 4.409 20 0 GIADMO CCCOc1c(Br)cc(C[N@H+](C)C2CCN(CC)CC2)cc1OC 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PUZCMBNTUXENOZ-OFNKIYASSA-N 1 1 391.540 4.387 20 0 GIADMO O=C1O[C@@H](C[N@@H+](CCc2ccccc2)Cc2cccnc2)CN1c1ccccc1 ZINC000191345008 823674410 /nfs/dbraw/zinc/67/44/10/823674410.db2.gz YSTZBKXTNXCOLC-QHCPKHFHSA-N 1 1 387.483 4.152 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000191359307 823676284 /nfs/dbraw/zinc/67/62/84/823676284.db2.gz ZCTQZRMGFWMZLX-KRWDZBQOSA-N 1 1 380.540 4.343 20 0 GIADMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000191359307 823676286 /nfs/dbraw/zinc/67/62/86/823676286.db2.gz ZCTQZRMGFWMZLX-KRWDZBQOSA-N 1 1 380.540 4.343 20 0 GIADMO FC(F)(F)c1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)n3)CC2)cc1 ZINC000063508287 823676843 /nfs/dbraw/zinc/67/68/43/823676843.db2.gz KZJIPUHSEHAODE-UHFFFAOYSA-N 1 1 389.343 4.441 20 0 GIADMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccncc1)C(c1ccccc1)c1ccccc1 ZINC000125449832 823677048 /nfs/dbraw/zinc/67/70/48/823677048.db2.gz NFGKEYDGTOZNKL-QHCPKHFHSA-N 1 1 385.511 4.467 20 0 GIADMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccncc1)C(c1ccccc1)c1ccccc1 ZINC000125449832 823677051 /nfs/dbraw/zinc/67/70/51/823677051.db2.gz NFGKEYDGTOZNKL-QHCPKHFHSA-N 1 1 385.511 4.467 20 0 GIADMO Cn1cc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)c(-c2ccncc2)n1 ZINC000125467376 823678493 /nfs/dbraw/zinc/67/84/93/823678493.db2.gz PYDCBRHMRHDZDF-UHFFFAOYSA-N 1 1 376.382 4.013 20 0 GIADMO CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)CC1CCN(c2ccccn2)CC1 ZINC000191387112 823679129 /nfs/dbraw/zinc/67/91/29/823679129.db2.gz SRBUXHXQSWRSIK-UHFFFAOYSA-N 1 1 381.568 4.060 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NCc2nccn2-c2ccccc2)C[C@H](C)O1 ZINC000191392177 823679719 /nfs/dbraw/zinc/67/97/19/823679719.db2.gz BLPAWQCJSWVPSN-KDURUIRLSA-N 1 1 376.504 4.094 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NCc2nccn2-c2ccccc2)C[C@H](C)O1 ZINC000191392177 823679722 /nfs/dbraw/zinc/67/97/22/823679722.db2.gz BLPAWQCJSWVPSN-KDURUIRLSA-N 1 1 376.504 4.094 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NCc2nccn2-c2ccccc2)C[C@H](C)O1 ZINC000191392195 823679800 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CCN1CC[NH+](Cc2ccc(N[C@H](C)c3cnn(C(C)(C)C)c3C)cc2)CC1 ZINC000191424038 823683861 /nfs/dbraw/zinc/68/38/61/823683861.db2.gz GKIHPGMISUHDAD-GOSISDBHSA-N 1 1 383.584 4.257 20 0 GIADMO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000125546878 823684286 /nfs/dbraw/zinc/68/42/86/823684286.db2.gz WYVKPKOGIGCRTQ-NSHDSACASA-N 1 1 398.272 4.465 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000063627641 823684841 /nfs/dbraw/zinc/68/48/41/823684841.db2.gz YLDDYEQBMIWGGD-GOSISDBHSA-N 1 1 384.520 4.455 20 0 GIADMO O=C(C[NH+]1CCC(OC2CCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000125574136 823686621 /nfs/dbraw/zinc/68/66/21/823686621.db2.gz KREDHVAKKUUWFC-UHFFFAOYSA-N 1 1 384.442 4.458 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000063665178 823687721 /nfs/dbraw/zinc/68/77/21/823687721.db2.gz WAUYBWNXYNCZAB-ZDUSSCGKSA-N 1 1 397.997 4.448 20 0 GIADMO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000191468095 823688384 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823696601 /nfs/dbraw/zinc/69/66/01/823696601.db2.gz NRFZIELBTKJYDM-HZSPNIEDSA-N 1 1 389.487 4.238 20 0 GIADMO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000063836370 823700599 /nfs/dbraw/zinc/70/05/99/823700599.db2.gz WJDOLRQUKJUXEU-AWEZNQCLSA-N 1 1 377.941 4.232 20 0 GIADMO FC(F)c1nc2ccc(Cl)cc2c(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000413033254 823700839 /nfs/dbraw/zinc/70/08/39/823700839.db2.gz MBOGFOBENXSXAC-UHFFFAOYSA-N 1 1 378.810 4.136 20 0 GIADMO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Cl)CC1)c1nc(C(C)(C)C)no1 ZINC000191574329 823702636 /nfs/dbraw/zinc/70/26/36/823702636.db2.gz XQLGVXSHSLVOSK-CQSZACIVSA-N 1 1 376.932 4.336 20 0 GIADMO CC[N@H+]1CCC[C@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)C1 ZINC000063852858 823702607 /nfs/dbraw/zinc/70/26/07/823702607.db2.gz YOZKOAXCRLWXFX-MRXNPFEDSA-N 1 1 382.470 4.365 20 0 GIADMO CC[N@H+]1CCC[C@@H](CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)C1 ZINC000063853004 823702674 /nfs/dbraw/zinc/70/26/74/823702674.db2.gz MWPQHRQCSOIBBX-NSHDSACASA-N 1 1 398.732 4.046 20 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ZINC000064571823 823848349 /nfs/dbraw/zinc/84/83/49/823848349.db2.gz FVAATBRSEVCCBN-UHFFFAOYSA-N 1 1 396.459 4.089 20 0 GIADMO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cccc1-c1ccccn1 ZINC000462160501 823849142 /nfs/dbraw/zinc/84/91/42/823849142.db2.gz UYBOWMGCAZEVEL-HOYKHHGWSA-N 1 1 385.511 4.307 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)nnn1-c1ccc(Cl)cc1 ZINC000165447740 823849480 /nfs/dbraw/zinc/84/94/80/823849480.db2.gz CFDSWVVUUJUIDU-STQMWFEESA-N 1 1 398.898 4.132 20 0 GIADMO Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)C[C@@H]2CC3(CCC3)C(=O)O2)c1 ZINC000192077905 823852863 /nfs/dbraw/zinc/85/28/63/823852863.db2.gz XYMJTVVRCMTFIO-VXKWHMMOSA-N 1 1 379.500 4.016 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462172900 823853432 /nfs/dbraw/zinc/85/34/32/823853432.db2.gz ZHYBZGZDAXWLTK-XPWALMASSA-N 1 1 399.579 4.251 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000462172897 823853518 /nfs/dbraw/zinc/85/35/18/823853518.db2.gz ZHYBZGZDAXWLTK-RJGXRXQPSA-N 1 1 399.579 4.251 20 0 GIADMO CCN1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000165555101 823853750 /nfs/dbraw/zinc/85/37/50/823853750.db2.gz YTFPJJJMTYEKBN-NLFFAJNJSA-N 1 1 388.559 4.418 20 0 GIADMO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n(C(C)(C)C)n1 ZINC000064624030 823854006 /nfs/dbraw/zinc/85/40/06/823854006.db2.gz NEKVGEDTXLNRTF-INIZCTEOSA-N 1 1 389.569 4.042 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1nc(-c2cccnc2)no1 ZINC000192082655 823854070 /nfs/dbraw/zinc/85/40/70/823854070.db2.gz GJPJGWJJERXNPX-YMRXKLBXSA-N 1 1 388.830 4.105 20 0 GIADMO CSc1cccnc1-c1noc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000574896490 823854855 /nfs/dbraw/zinc/85/48/55/823854855.db2.gz HCOBYXGHXSCHHD-OAHLLOKOSA-N 1 1 384.480 4.372 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462188613 823860847 /nfs/dbraw/zinc/86/08/47/823860847.db2.gz ODWVYDRNBMLVIF-CABCVRRESA-N 1 1 399.348 4.272 20 0 GIADMO COc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1C(C)C ZINC000462190304 823861819 /nfs/dbraw/zinc/86/18/19/823861819.db2.gz QEZACYZAJLKANM-PXNSSMCTSA-N 1 1 396.531 4.078 20 0 GIADMO Fc1ccccc1-c1noc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192106442 823862126 /nfs/dbraw/zinc/86/21/26/823862126.db2.gz PZYUDGSYKPKUPS-FUHWJXTLSA-N 1 1 391.805 4.288 20 0 GIADMO CCc1ccc(-c2noc(C[NH2+][C@H]3CCO[C@H]3c3ccc(F)c(F)c3)n2)cc1 ZINC000192110980 823863463 /nfs/dbraw/zinc/86/34/63/823863463.db2.gz XKEPZRMDPNHVST-ICSRJNTNSA-N 1 1 385.414 4.197 20 0 GIADMO Cc1nc2ccc(NC(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2o1 ZINC000064697139 823866862 /nfs/dbraw/zinc/86/68/62/823866862.db2.gz RHJXYOBEFODABF-OAHLLOKOSA-N 1 1 384.505 4.231 20 0 GIADMO CCOc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC000574945794 823867661 /nfs/dbraw/zinc/86/76/61/823867661.db2.gz ARKUODXFUXSQMR-MOPGFXCFSA-N 1 1 397.494 4.210 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462201888 823867877 /nfs/dbraw/zinc/86/78/77/823867877.db2.gz USVKDFVMXDWGPZ-OAHLLOKOSA-N 1 1 397.466 4.207 20 0 GIADMO CC(C)(C)[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(F)cc1F ZINC000462205718 823870285 /nfs/dbraw/zinc/87/02/85/823870285.db2.gz XGSTYGDQUWTBBF-GOSISDBHSA-N 1 1 377.435 4.066 20 0 GIADMO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)cc1F ZINC000192131065 823870937 /nfs/dbraw/zinc/87/09/37/823870937.db2.gz FVTUESIRXIOKIG-WMZOPIPTSA-N 1 1 391.805 4.288 20 0 GIADMO C[C@@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181977 823871693 /nfs/dbraw/zinc/87/16/93/823871693.db2.gz MKNXIUZNELWFBO-VOQZNFBZSA-N 1 1 395.522 4.284 20 0 GIADMO CC(C)c1ccsc1C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000064733946 823874467 /nfs/dbraw/zinc/87/44/67/823874467.db2.gz NPLUDNHKJOAUGO-UHFFFAOYSA-N 1 1 399.604 4.199 20 0 GIADMO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000064736099 823875683 /nfs/dbraw/zinc/87/56/83/823875683.db2.gz DVZWYNNOTJDMJJ-JYRKZWEQSA-N 1 1 384.564 4.369 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000064735955 823875770 /nfs/dbraw/zinc/87/57/70/823875770.db2.gz UCASFIKGMYQDBA-XMTFNYHQSA-N 1 1 376.566 4.040 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)C1 ZINC000064735679 823875938 /nfs/dbraw/zinc/87/59/38/823875938.db2.gz WMPIJTCFIFWOPN-DAYGRLMNSA-N 1 1 387.911 4.472 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)COc2ccc(Cl)c3ccccc23)CC1 ZINC000064738587 823877036 /nfs/dbraw/zinc/87/70/36/823877036.db2.gz OQOFXNDZPZNLKE-UHFFFAOYSA-N 1 1 388.939 4.451 20 0 GIADMO Fc1ccc([C@H](Cn2cnc3ccccc32)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166490245 823878388 /nfs/dbraw/zinc/87/83/88/823878388.db2.gz RVEIKQONUATSTI-VWPQPMDRSA-N 1 1 378.495 4.133 20 0 GIADMO CC(C)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064759085 823881534 /nfs/dbraw/zinc/88/15/34/823881534.db2.gz BOCDHUMLWNWIAK-LJQANCHMSA-N 1 1 397.485 4.500 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000166734777 823882456 /nfs/dbraw/zinc/88/24/56/823882456.db2.gz UJYCPTIHRBCWFN-UGKGYDQZSA-N 1 1 381.495 4.105 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccccc1Br ZINC000462232260 823885546 /nfs/dbraw/zinc/88/55/46/823885546.db2.gz HPGDPVBNTNVHCZ-KSSFIOAISA-N 1 1 388.309 4.091 20 0 GIADMO CN(C)S(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2Cl)C2CCCC2)o1 ZINC000064808378 823889206 /nfs/dbraw/zinc/88/92/06/823889206.db2.gz JGYRFYUUKJCVER-UHFFFAOYSA-N 1 1 396.940 4.128 20 0 GIADMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2Cl)C2CCCC2)o1 ZINC000064808378 823889211 /nfs/dbraw/zinc/88/92/11/823889211.db2.gz JGYRFYUUKJCVER-UHFFFAOYSA-N 1 1 396.940 4.128 20 0 GIADMO O=C(C[N@H+]1CCC[C@H](c2ccncc2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000575026076 823892256 /nfs/dbraw/zinc/89/22/56/823892256.db2.gz IKYIPQVCBJAREX-QHCPKHFHSA-N 1 1 385.511 4.494 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cc(F)ccc1F ZINC000167774700 823895142 /nfs/dbraw/zinc/89/51/42/823895142.db2.gz PQCQTOVQTYXUBJ-KGLIPLIRSA-N 1 1 378.438 4.477 20 0 GIADMO CC(C)(C)C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(Br)cc1 ZINC000414058025 823897214 /nfs/dbraw/zinc/89/72/14/823897214.db2.gz GOSVSQBNFFKBLU-HNNXBMFYSA-N 1 1 377.330 4.254 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1Br ZINC000167899595 823897451 /nfs/dbraw/zinc/89/74/51/823897451.db2.gz OXYOREIADNSWQR-WFASDCNBSA-N 1 1 393.329 4.358 20 0 GIADMO O=C1O[C@H](C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)CC12CCC2 ZINC000192190939 823897672 /nfs/dbraw/zinc/89/76/72/823897672.db2.gz KQCPREKLTVEDGJ-HOTGVXAUSA-N 1 1 382.273 4.211 20 0 GIADMO O=C1O[C@H](C[N@@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)CC12CCC2 ZINC000192190939 823897679 /nfs/dbraw/zinc/89/76/79/823897679.db2.gz KQCPREKLTVEDGJ-HOTGVXAUSA-N 1 1 382.273 4.211 20 0 GIADMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167902117 823898091 /nfs/dbraw/zinc/89/80/91/823898091.db2.gz FXVFFSKSURWXPG-QEEYODRMSA-N 1 1 384.395 4.276 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000167920904 823898236 /nfs/dbraw/zinc/89/82/36/823898236.db2.gz DUJGNJIKZYFLOE-HOTGVXAUSA-N 1 1 375.314 4.276 20 0 GIADMO NC(=O)C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045218 823899163 /nfs/dbraw/zinc/89/91/63/823899163.db2.gz XEKQNLOZAFMIIR-LEWJYISDSA-N 1 1 397.950 4.043 20 0 GIADMO NC(=O)C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1 ZINC000575045218 823899168 /nfs/dbraw/zinc/89/91/68/823899168.db2.gz XEKQNLOZAFMIIR-LEWJYISDSA-N 1 1 397.950 4.043 20 0 GIADMO CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000168042583 823899424 /nfs/dbraw/zinc/89/94/24/823899424.db2.gz PKEXIZGDPFNRME-SFHVURJKSA-N 1 1 386.971 4.282 20 0 GIADMO Cc1nnc(-c2ccccc2C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000126567062 823900648 /nfs/dbraw/zinc/90/06/48/823900648.db2.gz SYLQJNFPRUDPLX-CQSZACIVSA-N 1 1 387.443 4.030 20 0 GIADMO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCC1([NH+](C)C)CCOCC1 ZINC000168273066 823901956 /nfs/dbraw/zinc/90/19/56/823901956.db2.gz YIZHTXISECDIIR-CQSZACIVSA-N 1 1 377.529 4.019 20 0 GIADMO C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)c(Br)c1 ZINC000462257663 823901900 /nfs/dbraw/zinc/90/19/00/823901900.db2.gz QGNACBVFWHNLMB-SIIHOXLZSA-N 1 1 397.332 4.025 20 0 GIADMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000168353355 823902332 /nfs/dbraw/zinc/90/23/32/823902332.db2.gz WISDMHSLZGBFFO-SFHVURJKSA-N 1 1 386.511 4.166 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000414076278 823903317 /nfs/dbraw/zinc/90/33/17/823903317.db2.gz YFHQOJXTLYLQDH-CZUORRHYSA-N 1 1 393.940 4.071 20 0 GIADMO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1csc(-c2ccccc2)n1 ZINC000414076352 823903347 /nfs/dbraw/zinc/90/33/47/823903347.db2.gz OPVTZIYEHKGABN-KRWDZBQOSA-N 1 1 379.529 4.498 20 0 GIADMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(Cl)c1Cl ZINC000192210867 823903847 /nfs/dbraw/zinc/90/38/47/823903847.db2.gz GVISNYBBFVYMNB-INIZCTEOSA-N 1 1 393.314 4.014 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)s1 ZINC000414078347 823903865 /nfs/dbraw/zinc/90/38/65/823903865.db2.gz RWKFXCRHGHOBTR-JKSUJKDBSA-N 1 1 387.549 4.012 20 0 GIADMO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000462261405 823904032 /nfs/dbraw/zinc/90/40/32/823904032.db2.gz YIHDBLCFDBIGOQ-UTKZUKDTSA-N 1 1 394.519 4.067 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1csc(-c2ccccc2)n1 ZINC000414083389 823904884 /nfs/dbraw/zinc/90/48/84/823904884.db2.gz WDJUAZIZIZNZSQ-HNNXBMFYSA-N 1 1 386.542 4.206 20 0 GIADMO Cc1cc(CNC(=O)N2CCCCC[C@@H]2c2ccncc2)cc(N2CCCC2)[nH+]1 ZINC000462266106 823905868 /nfs/dbraw/zinc/90/58/68/823905868.db2.gz BROGUNYZNUSASN-OAQYLSRUSA-N 1 1 393.535 4.212 20 0 GIADMO Cc1cc(CNC(=O)N(Cc2cccc(F)c2)C(C)C)cc(N2CCCC2)[nH+]1 ZINC000462266673 823906488 /nfs/dbraw/zinc/90/64/88/823906488.db2.gz GBPBHPOYTGBASG-UHFFFAOYSA-N 1 1 384.499 4.250 20 0 GIADMO CC(C)OCc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462269177 823907371 /nfs/dbraw/zinc/90/73/71/823907371.db2.gz RRCNGFUKRDZGOS-PGRDOPGGSA-N 1 1 381.520 4.254 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1csc(-c2ccccc2)n1 ZINC000414093105 823907692 /nfs/dbraw/zinc/90/76/92/823907692.db2.gz MAZBARLNFLYBMM-VQIMIIECSA-N 1 1 377.513 4.262 20 0 GIADMO Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2C[NH+]2CCSCC2)n1 ZINC000169126758 823908649 /nfs/dbraw/zinc/90/86/49/823908649.db2.gz LHAQZINOAYUEJW-OAQYLSRUSA-N 1 1 396.560 4.308 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000462274274 823909231 /nfs/dbraw/zinc/90/92/31/823909231.db2.gz UOGZVCZBGJHRQJ-UZLBHIALSA-N 1 1 392.528 4.452 20 0 GIADMO C[C@H](CNC(=O)CCCOc1ccccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000064907833 823910066 /nfs/dbraw/zinc/91/00/66/823910066.db2.gz VRRQOPUSTYNUEW-QGZVFWFLSA-N 1 1 386.923 4.062 20 0 GIADMO CC(C)Cn1ncc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C(C)C ZINC000462288362 823913364 /nfs/dbraw/zinc/91/33/64/823913364.db2.gz ULIXYTYHEWDDHD-NQIIRXRSSA-N 1 1 397.567 4.305 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+]C2(Cc3ccccc3Br)CC2)s1 ZINC000414118501 823913747 /nfs/dbraw/zinc/91/37/47/823913747.db2.gz AWZYOGYWULJOGV-LLVKDONJSA-N 1 1 395.322 4.118 20 0 GIADMO COc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c2ncccc12 ZINC000575105749 823913936 /nfs/dbraw/zinc/91/39/36/823913936.db2.gz VRHSKWPNPPQRLG-UHFFFAOYSA-N 1 1 395.369 4.014 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1csc(-c2ccccc2)n1 ZINC000414129427 823915747 /nfs/dbraw/zinc/91/57/47/823915747.db2.gz IFJVOEAZUHDFBL-BEFAXECRSA-N 1 1 395.503 4.401 20 0 GIADMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1Cl ZINC000462300781 823916244 /nfs/dbraw/zinc/91/62/44/823916244.db2.gz JUZRZDAFZZADDT-KBXCAEBGSA-N 1 1 398.981 4.071 20 0 GIADMO C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130821 823916516 /nfs/dbraw/zinc/91/65/16/823916516.db2.gz WXWYYFMASBNFAO-GMBSWORKSA-N 1 1 380.458 4.173 20 0 GIADMO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000414130821 823916524 /nfs/dbraw/zinc/91/65/24/823916524.db2.gz WXWYYFMASBNFAO-GMBSWORKSA-N 1 1 380.458 4.173 20 0 GIADMO Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000462301253 823916846 /nfs/dbraw/zinc/91/68/46/823916846.db2.gz VQTRZAHHVOXOQS-KSSFIOAISA-N 1 1 398.981 4.071 20 0 GIADMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1Cl ZINC000462300786 823917118 /nfs/dbraw/zinc/91/71/18/823917118.db2.gz JUZRZDAFZZADDT-RDTXWAMCSA-N 1 1 398.981 4.071 20 0 GIADMO O=C(CCC1CCOCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000170230178 823918423 /nfs/dbraw/zinc/91/84/23/823918423.db2.gz STSMDQJZYGGCIQ-UHFFFAOYSA-N 1 1 392.543 4.127 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064960827 823918751 /nfs/dbraw/zinc/91/87/51/823918751.db2.gz CEFFJHJLZLFKKX-OAHLLOKOSA-N 1 1 381.925 4.205 20 0 GIADMO CC(C)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000462306241 823918962 /nfs/dbraw/zinc/91/89/62/823918962.db2.gz QEMDIIGSEHNIRO-FXAWDEMLSA-N 1 1 392.590 4.233 20 0 GIADMO CC(C)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000462306243 823919173 /nfs/dbraw/zinc/91/91/73/823919173.db2.gz QEMDIIGSEHNIRO-XLIONFOSSA-N 1 1 392.590 4.233 20 0 GIADMO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000575134566 823920077 /nfs/dbraw/zinc/92/00/77/823920077.db2.gz BTZHSKSLGRXYSK-MLNNCEHLSA-N 1 1 393.955 4.060 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1)C(C)C ZINC000170627347 823921278 /nfs/dbraw/zinc/92/12/78/823921278.db2.gz MANZBXPGUWDIQW-UHFFFAOYSA-N 1 1 399.510 4.145 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc2cncn2c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414176195 823923096 /nfs/dbraw/zinc/92/30/96/823923096.db2.gz HFEGIVJVMIFYMG-UZLBHIALSA-N 1 1 383.467 4.272 20 0 GIADMO CC(C)[C@H]1[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414179967 823923851 /nfs/dbraw/zinc/92/38/51/823923851.db2.gz KSYRCORQVGZAEX-GOSISDBHSA-N 1 1 384.442 4.171 20 0 GIADMO c1c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000126673676 823924469 /nfs/dbraw/zinc/92/44/69/823924469.db2.gz KOJKTJMLALRARC-BJKOFHAPSA-N 1 1 386.543 4.315 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc(OC)c1 ZINC000126679256 823925296 /nfs/dbraw/zinc/92/52/96/823925296.db2.gz NSLGLTNKWDQKRB-VGSWGCGISA-N 1 1 385.527 4.388 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1cccc(OC)c1 ZINC000126679048 823925401 /nfs/dbraw/zinc/92/54/01/823925401.db2.gz NSLGLTNKWDQKRB-HTAPYJJXSA-N 1 1 385.527 4.388 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000170647189 823925443 /nfs/dbraw/zinc/92/54/43/823925443.db2.gz HPMNCMYNEMRJCN-IBGZPJMESA-N 1 1 397.519 4.007 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000170647981 823926483 /nfs/dbraw/zinc/92/64/83/823926483.db2.gz HEKHWWPOSWOVJU-AWEZNQCLSA-N 1 1 391.899 4.342 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000170647981 823926491 /nfs/dbraw/zinc/92/64/91/823926491.db2.gz HEKHWWPOSWOVJU-AWEZNQCLSA-N 1 1 391.899 4.342 20 0 GIADMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(Cl)c1 ZINC000462328588 823926562 /nfs/dbraw/zinc/92/65/62/823926562.db2.gz VAWWBZPMTBMGBZ-KDOFPFPSSA-N 1 1 398.981 4.071 20 0 GIADMO CC[N@@H+](CCCc1ccncc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000462334355 823928415 /nfs/dbraw/zinc/92/84/15/823928415.db2.gz JIEDATQLQZHXBK-UHFFFAOYSA-N 1 1 381.568 4.227 20 0 GIADMO Cc1cc([C@@H](C)NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c(C)s1 ZINC000170684442 823938046 /nfs/dbraw/zinc/93/80/46/823938046.db2.gz RZHSNHAGWBHFQJ-CYBMUJFWSA-N 1 1 377.579 4.219 20 0 GIADMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000575217991 823942511 /nfs/dbraw/zinc/94/25/11/823942511.db2.gz LXMUACMRYLLQNJ-ZDUSSCGKSA-N 1 1 399.844 4.407 20 0 GIADMO Cc1ccc(Br)c(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260857 823944792 /nfs/dbraw/zinc/94/47/92/823944792.db2.gz NDXPDZPRBBTPOQ-JXFKEZNVSA-N 1 1 388.353 4.153 20 0 GIADMO Cc1ccc(Br)c(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414260857 823944798 /nfs/dbraw/zinc/94/47/98/823944798.db2.gz NDXPDZPRBBTPOQ-JXFKEZNVSA-N 1 1 388.353 4.153 20 0 GIADMO CCC[C@@H](NC(=O)c1ccccc1)c1noc([C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000575221873 823944939 /nfs/dbraw/zinc/94/49/39/823944939.db2.gz GHPBYCIQQBOURU-IERDGZPVSA-N 1 1 388.487 4.010 20 0 GIADMO CCC[C@@H](NC(=O)c1ccccc1)c1noc([C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000575221873 823944943 /nfs/dbraw/zinc/94/49/43/823944943.db2.gz GHPBYCIQQBOURU-IERDGZPVSA-N 1 1 388.487 4.010 20 0 GIADMO O=C(C[NH2+]Cc1ccc(Br)cc1Cl)N1CCCc2ccccc21 ZINC000462370762 823945791 /nfs/dbraw/zinc/94/57/91/823945791.db2.gz TWGNCMWCDCATJE-UHFFFAOYSA-N 1 1 393.712 4.172 20 0 GIADMO O=C(c1ccc(Sc2ccccn2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126774932 823947931 /nfs/dbraw/zinc/94/79/31/823947931.db2.gz BHVLBFGSGIOHQL-GHTZIAJQSA-N 1 1 393.556 4.322 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccn2Cc2cccs2)C1 ZINC000065141058 823950778 /nfs/dbraw/zinc/95/07/78/823950778.db2.gz TWEJHCBVKZDOMM-IEBWSBKVSA-N 1 1 379.529 4.163 20 0 GIADMO Cc1cc(Br)ccc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000065141112 823950867 /nfs/dbraw/zinc/95/08/67/823950867.db2.gz GWKPAMOKEWFYNK-CRAIPNDOSA-N 1 1 387.321 4.323 20 0 GIADMO CCOc1cc2c(cc1OCC)CN(c1cc(C(C)C)[nH+]c(N(C)C)n1)CC2 ZINC000462386559 823954538 /nfs/dbraw/zinc/95/45/38/823954538.db2.gz FHMXUZHINPRUFB-UHFFFAOYSA-N 1 1 384.524 4.026 20 0 GIADMO COC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC000575324982 823955749 /nfs/dbraw/zinc/95/57/49/823955749.db2.gz GDIWIRTWJYYVGN-SFHVURJKSA-N 1 1 390.321 4.496 20 0 GIADMO COCCC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(Br)cc1 ZINC000414331871 823960334 /nfs/dbraw/zinc/96/03/34/823960334.db2.gz UNTLEUPSDDNSBL-OAHLLOKOSA-N 1 1 396.354 4.436 20 0 GIADMO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(cc1Br)OCCO2 ZINC000192366869 823960440 /nfs/dbraw/zinc/96/04/40/823960440.db2.gz RESLIHMNHRUYAI-INIZCTEOSA-N 1 1 390.277 4.093 20 0 GIADMO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000575353315 823960889 /nfs/dbraw/zinc/96/08/89/823960889.db2.gz SGSZOFSZHFXOFU-FQEVSTJZSA-N 1 1 386.586 4.157 20 0 GIADMO CSc1ccc(CN(C)C(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000575353315 823960899 /nfs/dbraw/zinc/96/08/99/823960899.db2.gz SGSZOFSZHFXOFU-FQEVSTJZSA-N 1 1 386.586 4.157 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000575370286 823963618 /nfs/dbraw/zinc/96/36/18/823963618.db2.gz XWOLRWBALGJQKR-UHFFFAOYSA-N 1 1 388.870 4.364 20 0 GIADMO COc1ccccc1[C@@H](NCc1c[nH+]c(N(C)C)n1C)c1ccccc1Cl ZINC000414359720 823964914 /nfs/dbraw/zinc/96/49/14/823964914.db2.gz PDNUSKMYCNPWES-FQEVSTJZSA-N 1 1 384.911 4.027 20 0 GIADMO Cc1cc(C(=O)NC2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)c(C)o1 ZINC000170775756 823968142 /nfs/dbraw/zinc/96/81/42/823968142.db2.gz XJJOAFPXWYVFLP-UHFFFAOYSA-N 1 1 397.450 4.085 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ncc(C(C)C)s1 ZINC000192396537 823970044 /nfs/dbraw/zinc/97/00/44/823970044.db2.gz UJTURBLJCIRRAN-QGZVFWFLSA-N 1 1 387.553 4.180 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccnc2Br)cc1 ZINC000126867896 823970523 /nfs/dbraw/zinc/97/05/23/823970523.db2.gz MBXTYWKKGIZZRI-AWEZNQCLSA-N 1 1 388.309 4.471 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000126887299 823974487 /nfs/dbraw/zinc/97/44/87/823974487.db2.gz AMVQKSRFRNQCSR-QGZVFWFLSA-N 1 1 377.410 4.148 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000126887299 823974494 /nfs/dbraw/zinc/97/44/94/823974494.db2.gz AMVQKSRFRNQCSR-QGZVFWFLSA-N 1 1 377.410 4.148 20 0 GIADMO CC(C)C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCc2cccnc21 ZINC000126887738 823974589 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Cn1nccc1[C@H]1[C@H](CNc2ncnc3sc(C(C)(C)C)cc32)CCC[N@H+]1C ZINC000575773859 823991562 /nfs/dbraw/zinc/99/15/62/823991562.db2.gz RKTDGMCKEPOZQQ-KBXCAEBGSA-N 1 1 398.580 4.217 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2ccccc2OC(C)C)c1 ZINC000414485845 823992816 /nfs/dbraw/zinc/99/28/16/823992816.db2.gz SHYDRHLETJNNKJ-UHFFFAOYSA-N 1 1 381.925 4.211 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000414486404 823993561 /nfs/dbraw/zinc/99/35/61/823993561.db2.gz NBOBLAXKJYYYIU-QFBILLFUSA-N 1 1 383.289 4.305 20 0 GIADMO O[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccnc3c(Br)cccc23)C1 ZINC000414486404 823993567 /nfs/dbraw/zinc/99/35/67/823993567.db2.gz NBOBLAXKJYYYIU-QFBILLFUSA-N 1 1 383.289 4.305 20 0 GIADMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000414492933 823994526 /nfs/dbraw/zinc/99/45/26/823994526.db2.gz GTTRQDKFEILAST-UHFFFAOYSA-N 1 1 376.280 4.216 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000575786303 823995372 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20 0 GIADMO C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3ccccc3n(C)c2=O)CCN1Cc1ccccc1 ZINC000575822584 824003983 /nfs/dbraw/zinc/00/39/83/824003983.db2.gz PWKNLKVEKJHXHU-CVDCTZTESA-N 1 1 389.543 4.023 20 0 GIADMO C[C@H]1C[C@@H](N(C)Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000575822584 824004012 /nfs/dbraw/zinc/00/40/12/824004012.db2.gz PWKNLKVEKJHXHU-CVDCTZTESA-N 1 1 389.543 4.023 20 0 GIADMO C[C@H]1C[C@@H](N(C)Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000575822584 824004017 /nfs/dbraw/zinc/00/40/17/824004017.db2.gz PWKNLKVEKJHXHU-CVDCTZTESA-N 1 1 389.543 4.023 20 0 GIADMO Cc1cc(Br)cn2c(C[N@@H+]3CC4(CCOCC4)[C@H]3C(C)C)cnc12 ZINC000414541123 824006512 /nfs/dbraw/zinc/00/65/12/824006512.db2.gz PTEMELJHEISQJG-QGZVFWFLSA-N 1 1 392.341 4.042 20 0 GIADMO Cc1cc(Br)cn2c(C[N@H+]3CC4(CCOCC4)[C@H]3C(C)C)cnc12 ZINC000414541123 824006516 /nfs/dbraw/zinc/00/65/16/824006516.db2.gz PTEMELJHEISQJG-QGZVFWFLSA-N 1 1 392.341 4.042 20 0 GIADMO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000414544078 824006997 /nfs/dbraw/zinc/00/69/97/824006997.db2.gz CWIUNCIJIXQGMU-HXUWFJFHSA-N 1 1 394.563 4.147 20 0 GIADMO COc1cc(OC)c(OC)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414547008 824007828 /nfs/dbraw/zinc/00/78/28/824007828.db2.gz GTBJLWJLHSZLOP-JOCHJYFZSA-N 1 1 383.488 4.066 20 0 GIADMO COc1cc(OC)c(OC)cc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414547008 824007834 /nfs/dbraw/zinc/00/78/34/824007834.db2.gz GTBJLWJLHSZLOP-JOCHJYFZSA-N 1 1 383.488 4.066 20 0 GIADMO C[N@@H+]1C[C@H]2CN(C(=O)c3oc4ccccc4c3CSc3cccs3)C[C@H]2C1 ZINC000192482508 824008275 /nfs/dbraw/zinc/00/82/75/824008275.db2.gz XHLJZTIURXGADI-GASCZTMLSA-N 1 1 398.553 4.420 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cnn(C(C)(C)C)c1)C(C)C ZINC000414551778 824009587 /nfs/dbraw/zinc/00/95/87/824009587.db2.gz KBJYATUPUAEVGI-SFHVURJKSA-N 1 1 391.581 4.010 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cc2cccnc2o1)C(C)C ZINC000414552583 824010263 /nfs/dbraw/zinc/01/02/63/824010263.db2.gz KLZIRLNNMHEJAT-QGZVFWFLSA-N 1 1 386.517 4.200 20 0 GIADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000414555975 824011503 /nfs/dbraw/zinc/01/15/03/824011503.db2.gz IWZXAZJPFOIWKW-GFCCVEGCSA-N 1 1 378.460 4.496 20 0 GIADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000414555975 824011509 /nfs/dbraw/zinc/01/15/09/824011509.db2.gz IWZXAZJPFOIWKW-GFCCVEGCSA-N 1 1 378.460 4.496 20 0 GIADMO COc1ccc(-n2cc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)cn2)cc1 ZINC000414559442 824012567 /nfs/dbraw/zinc/01/25/67/824012567.db2.gz PUCGDGXKMZMYGR-HSZRJFAPSA-N 1 1 389.499 4.235 20 0 GIADMO Cc1nc2ccc(NC(=O)N3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2o1 ZINC000575910060 824027064 /nfs/dbraw/zinc/02/70/64/824027064.db2.gz DWRZRKANIDKNCT-RTBURBONSA-N 1 1 390.487 4.122 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C(C)C)C2CCCC2)c(C(F)(F)F)c1 ZINC000170986021 824028142 /nfs/dbraw/zinc/02/81/42/824028142.db2.gz FJDAPGHGDMAOLR-UHFFFAOYSA-N 1 1 385.430 4.255 20 0 GIADMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc(F)cc2c1OCOC2 ZINC000170987898 824028677 /nfs/dbraw/zinc/02/86/77/824028677.db2.gz LNMVAPYBIPWJLU-UHFFFAOYSA-N 1 1 399.441 4.286 20 0 GIADMO Cc1cc2cc(CNC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)ccc2[nH]1 ZINC000575946235 824034483 /nfs/dbraw/zinc/03/44/83/824034483.db2.gz LQWGTXFAKUJEKZ-AZUAARDMSA-N 1 1 382.552 4.272 20 0 GIADMO COCc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000192570607 824034870 /nfs/dbraw/zinc/03/48/70/824034870.db2.gz GSKGJBUTYWNQNU-FYYLOGMGSA-N 1 1 393.531 4.351 20 0 GIADMO CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000575956241 824037333 /nfs/dbraw/zinc/03/73/33/824037333.db2.gz PPIMMYHBWMOXKC-NRFANRHFSA-N 1 1 390.535 4.129 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1cc2ccccc2o1 ZINC000171014402 824037507 /nfs/dbraw/zinc/03/75/07/824037507.db2.gz BEYYCHRTTCUFJE-HXUWFJFHSA-N 1 1 392.503 4.024 20 0 GIADMO C[C@H](NCc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414856217 824042681 /nfs/dbraw/zinc/04/26/81/824042681.db2.gz OCORLVSHNHTQDX-GXTWGEPZSA-N 1 1 380.355 4.050 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1coc(C2CCC2)n1 ZINC000192620097 824047217 /nfs/dbraw/zinc/04/72/17/824047217.db2.gz RZYQLSLMMSUHSK-UHFFFAOYSA-N 1 1 379.460 4.097 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1coc(C2CCC2)n1 ZINC000192620097 824047224 /nfs/dbraw/zinc/04/72/24/824047224.db2.gz RZYQLSLMMSUHSK-UHFFFAOYSA-N 1 1 379.460 4.097 20 0 GIADMO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000414922639 824050426 /nfs/dbraw/zinc/05/04/26/824050426.db2.gz GGUZBFDQGJBXGL-QGZVFWFLSA-N 1 1 388.302 4.324 20 0 GIADMO Cc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)cc1 ZINC000576018784 824050433 /nfs/dbraw/zinc/05/04/33/824050433.db2.gz WLFXCFVPHDSDQZ-RBUKOAKNSA-N 1 1 382.470 4.050 20 0 GIADMO Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3c[nH+]ccc3-n3ccnc3)c12 ZINC000576020120 824050843 /nfs/dbraw/zinc/05/08/43/824050843.db2.gz SXTSXAVPOGKMBG-UHFFFAOYSA-N 1 1 396.410 4.031 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc(Cl)c(Cl)cc1O ZINC000192639516 824053214 /nfs/dbraw/zinc/05/32/14/824053214.db2.gz JFCBYDYJFHTQNI-LBPRGKRZSA-N 1 1 377.275 4.190 20 0 GIADMO CC(C)OCc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)ccc1O ZINC000576037482 824055456 /nfs/dbraw/zinc/05/54/56/824055456.db2.gz INYFQNSOJNRPDM-LJQANCHMSA-N 1 1 376.884 4.212 20 0 GIADMO COc1ccc([C@@H](O)[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978592 212129390 /nfs/dbraw/zinc/12/93/90/212129390.db2.gz OKXZBWPTVSDXCS-AZUAARDMSA-N 1 1 399.878 4.097 20 0 GIADMO CCC(=O)Nc1cccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000053359833 222010068 /nfs/dbraw/zinc/01/00/68/222010068.db2.gz MPQVMHKSPKUIGR-SFHVURJKSA-N 1 1 393.531 4.340 20 0 GIADMO c1sc(COc2ccccc2)nc1C[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000275365930 570691179 /nfs/dbraw/zinc/69/11/79/570691179.db2.gz BNBVZZWNKPUPOM-PZJWPPBQSA-N 1 1 381.501 4.127 20 0 GIADMO Clc1nnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ccccc12 ZINC001164622719 719060810 /nfs/dbraw/zinc/06/08/10/719060810.db2.gz IQFLDJZTVGLLKS-XLIONFOSSA-N 1 1 378.907 4.384 20 0 GIADMO Clc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2cccnc2n1 ZINC001164628881 719075289 /nfs/dbraw/zinc/07/52/89/719075289.db2.gz UGOFDUKBSKIWFC-FXAWDEMLSA-N 1 1 378.907 4.384 20 0 GIADMO c1csc(-c2ccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nn2)c1 ZINC001164621676 719085517 /nfs/dbraw/zinc/08/55/17/719085517.db2.gz HKAFZQQORJYWIU-UYAOXDASSA-N 1 1 376.529 4.306 20 0 GIADMO CC(C)n1ccc2c1ncnc2N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624998 719093419 /nfs/dbraw/zinc/09/34/19/719093419.db2.gz FXFGIWDPBGQXRF-PZJWPPBQSA-N 1 1 375.520 4.113 20 0 GIADMO c1ccc(Cc2nccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2)cc1 ZINC001164629860 719103359 /nfs/dbraw/zinc/10/33/59/719103359.db2.gz TYZHIULCJHTMAO-PKTZIBPZSA-N 1 1 384.527 4.168 20 0 GIADMO Fc1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1-c1ccsc1 ZINC001164622771 719111529 /nfs/dbraw/zinc/11/15/29/719111529.db2.gz CKZZHRLEVIKZHR-YLJYHZDGSA-N 1 1 394.519 4.445 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ncc2Cl)CC3)cs1 ZINC001164691780 719804057 /nfs/dbraw/zinc/80/40/57/719804057.db2.gz JYKHIOPRIJASNM-UHFFFAOYSA-N 1 1 398.363 4.183 20 0 GIADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc4cc(C)ccc4n2)CC3)cs1 ZINC001164692556 719809727 /nfs/dbraw/zinc/80/97/27/719809727.db2.gz JDENIWDSGMFZPW-UHFFFAOYSA-N 1 1 393.560 4.338 20 0 GIADMO Cc1ccc2nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc2c1 ZINC001164701489 719885809 /nfs/dbraw/zinc/88/58/09/719885809.db2.gz NSICOYFSWFPVEA-UHFFFAOYSA-N 1 1 393.556 4.476 20 0 GIADMO c1csc(C[N@H+]2CCOC3(CCN(c4cc5ccsc5cn4)CC3)C2)c1 ZINC001164698333 719894145 /nfs/dbraw/zinc/89/41/45/719894145.db2.gz ROMNQMDUSXEMEK-UHFFFAOYSA-N 1 1 385.558 4.229 20 0 GIADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3ccc(Cl)c(C)c3n1)C2 ZINC001164814379 720151915 /nfs/dbraw/zinc/15/19/15/720151915.db2.gz FXZWHFYNMBYCAC-WMZHIEFXSA-N 1 1 399.966 4.381 20 0 GIADMO CC(C)c1cc2c(ncnc2N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)s1 ZINC001164722136 720330192 /nfs/dbraw/zinc/33/01/92/720330192.db2.gz FENQXTYLNCCHGO-QZTJIDSGSA-N 1 1 379.533 4.063 20 0 GIADMO Clc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(-c2ccccc2)nn1 ZINC001164730291 720385042 /nfs/dbraw/zinc/38/50/42/720385042.db2.gz WMMLFOQYUAGXQR-RTBURBONSA-N 1 1 391.906 4.045 20 0 GIADMO Clc1cccc(-c2cc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)ncn2)c1 ZINC001164733928 720450745 /nfs/dbraw/zinc/45/07/45/720450745.db2.gz QTDGJKCRYKUUIC-RTWAWAEBSA-N 1 1 391.906 4.045 20 0 GIADMO Clc1cccc(-c2cc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)ncn2)c1 ZINC001164733925 720450855 /nfs/dbraw/zinc/45/08/55/720450855.db2.gz QTDGJKCRYKUUIC-NHCUHLMSSA-N 1 1 391.906 4.045 20 0 GIADMO Fc1cccc2c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cc(Cl)nc12 ZINC001164728243 720476901 /nfs/dbraw/zinc/47/69/01/720476901.db2.gz OOQPZAORGZZQBH-ZWKOTPCHSA-N 1 1 382.870 4.276 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3ccccc3cn1)CC2 ZINC001164841763 720673115 /nfs/dbraw/zinc/67/31/15/720673115.db2.gz PWGUOAOLNCTLRL-QHCPKHFHSA-N 1 1 387.527 4.495 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(C(C)(C)C)n1)CC2 ZINC001164840373 720683947 /nfs/dbraw/zinc/68/39/47/720683947.db2.gz DHLCGQAFCCUOPF-HXUWFJFHSA-N 1 1 394.563 4.034 20 0 GIADMO Cc1cccc(CN2CC[C@@]3(CC[N@H+](C(C)(C)c4ccnc(Cl)c4)C3)C2=O)c1 ZINC001164851196 720809136 /nfs/dbraw/zinc/80/91/36/720809136.db2.gz KEVSFIKHASEDCJ-QHCPKHFHSA-N 1 1 397.950 4.403 20 0 GIADMO CCc1ccc(Oc2nc(Cl)ncc2N2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001164775406 721303223 /nfs/dbraw/zinc/30/32/23/721303223.db2.gz WCYSDXFTWJXDPL-UHFFFAOYSA-N 1 1 398.938 4.407 20 0 GIADMO Cc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc2c(Cl)cccc12 ZINC001164781846 721420723 /nfs/dbraw/zinc/42/07/23/721420723.db2.gz FKXLGBZLOWGLGC-GJZGRUSLSA-N 1 1 384.936 4.221 20 0 GIADMO Cc1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc2c(Cl)cccc12 ZINC001164781847 721421016 /nfs/dbraw/zinc/42/10/16/721421016.db2.gz FKXLGBZLOWGLGC-HUUCEWRRSA-N 1 1 384.936 4.221 20 0 GIADMO Fc1cccc2cc(Cl)nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c12 ZINC001164782578 721439659 /nfs/dbraw/zinc/43/96/59/721439659.db2.gz KGNDAOBWEKMKEE-KBPBESRZSA-N 1 1 388.899 4.052 20 0 GIADMO Cc1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1Cl ZINC001164909415 721752426 /nfs/dbraw/zinc/75/24/26/721752426.db2.gz RYLUXQVBGRZUHO-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1Cl ZINC001164909415 721752430 /nfs/dbraw/zinc/75/24/30/721752430.db2.gz RYLUXQVBGRZUHO-UHFFFAOYSA-N 1 1 382.895 4.226 20 0 GIADMO Cc1cccc2c1ncnc2N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165018586 721806117 /nfs/dbraw/zinc/80/61/17/721806117.db2.gz BJYFBPACRIJWOA-VLCRHTCISA-N 1 1 387.531 4.070 20 0 GIADMO Cc1ccc2ncnc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1 ZINC001165026337 721806256 /nfs/dbraw/zinc/80/62/56/721806256.db2.gz QSILOAVJIDCWLA-QTGUNEKASA-N 1 1 387.531 4.070 20 0 GIADMO Cc1c[nH]c2nc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc12 ZINC001165027200 721807209 /nfs/dbraw/zinc/80/72/09/721807209.db2.gz UFPZHCVXPRSQMV-WMQCIHAUSA-N 1 1 375.520 4.003 20 0 GIADMO Cc1cc2c(ccnc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)o1 ZINC001165024041 721826271 /nfs/dbraw/zinc/82/62/71/721826271.db2.gz JJWSVXGUXSSPKJ-YYWHXJBOSA-N 1 1 376.504 4.268 20 0 GIADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001164981574 722098316 /nfs/dbraw/zinc/09/83/16/722098316.db2.gz LTHKJQDVUPGMLS-CMKODMSKSA-N 1 1 398.938 4.012 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(Cl)nc4c2CCC4)C3)c1 ZINC001164993277 722193814 /nfs/dbraw/zinc/19/38/14/722193814.db2.gz DZWWZWBSCAETIV-NRFANRHFSA-N 1 1 386.902 4.003 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)c2ccc(Cl)nn2)C3)c1 ZINC001164995666 722194813 /nfs/dbraw/zinc/19/48/13/722194813.db2.gz WVSYIHMXLOUPBY-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)c2ccc(Cl)nn2)C3)c1 ZINC001164995666 722194817 /nfs/dbraw/zinc/19/48/17/722194817.db2.gz WVSYIHMXLOUPBY-SFHVURJKSA-N 1 1 396.844 4.059 20 0 GIADMO COc1cc(Cl)ncc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995469 722197218 /nfs/dbraw/zinc/19/72/18/722197218.db2.gz VALOBHWSFQZIAT-FQEVSTJZSA-N 1 1 375.875 4.128 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4cc(Cl)cnc42)C3)c1 ZINC001164997222 722202679 /nfs/dbraw/zinc/20/26/79/722202679.db2.gz XEZLGYRSQCTXBS-OAQYLSRUSA-N 1 1 397.885 4.062 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4cc(Cl)cnc42)C3)c1 ZINC001164997220 722202716 /nfs/dbraw/zinc/20/27/16/722202716.db2.gz XEZLGYRSQCTXBS-NRFANRHFSA-N 1 1 397.885 4.062 20 0 GIADMO COC(OC)c1cc(C)cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994416 722206034 /nfs/dbraw/zinc/20/60/34/722206034.db2.gz GJHFJAQXGCPELS-QHCPKHFHSA-N 1 1 399.510 4.065 20 0 GIADMO Cc1c(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cccc1-c1ncco1 ZINC000570489107 823045385 /nfs/dbraw/zinc/04/53/85/823045385.db2.gz FIUYWOFLHSILGB-UHFFFAOYSA-N 1 1 390.487 4.390 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000458501726 823048223 /nfs/dbraw/zinc/04/82/23/823048223.db2.gz LBXKJSKZYVRZNY-MZKRTTBSSA-N 1 1 394.563 4.003 20 0 GIADMO OC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(Cl)c1F ZINC000570514910 823048654 /nfs/dbraw/zinc/04/86/54/823048654.db2.gz XTWWEIIPHVXUKF-XLIONFOSSA-N 1 1 388.914 4.299 20 0 GIADMO Cc1csc([C@@H](NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175829334 823049778 /nfs/dbraw/zinc/04/97/78/823049778.db2.gz GQHJMKTYBRIHLQ-PXNSSMCTSA-N 1 1 398.576 4.209 20 0 GIADMO O=C(CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)Nc1ccc(Cl)cc1F ZINC000175830131 823049990 /nfs/dbraw/zinc/04/99/90/823049990.db2.gz IIMCDHAICYWZBY-PBHICJAKSA-N 1 1 396.915 4.457 20 0 GIADMO Cc1csc2nc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)cc(=O)n12 ZINC000055855419 823053909 /nfs/dbraw/zinc/05/39/09/823053909.db2.gz GIBMFXSJEZAUEP-FQEVSTJZSA-N 1 1 379.460 4.083 20 0 GIADMO COc1cccc2c1[C@H](C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000570532790 823050809 /nfs/dbraw/zinc/05/08/09/823050809.db2.gz CGXZOZVPTRRSDB-LQCXBHPOSA-N 1 1 390.527 4.037 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000175834938 823050915 /nfs/dbraw/zinc/05/09/15/823050915.db2.gz NKPSMSPSEREMRM-INIZCTEOSA-N 1 1 375.476 4.011 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)CCCc2cccnc2)cc1 ZINC000458525842 823051025 /nfs/dbraw/zinc/05/10/25/823051025.db2.gz JQGPHOPTEGNQRE-QZTJIDSGSA-N 1 1 391.519 4.347 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)Nc1cccc2ccccc21 ZINC000175837931 823051912 /nfs/dbraw/zinc/05/19/12/823051912.db2.gz VBEAUTNHSJPNHV-PXNSSMCTSA-N 1 1 380.513 4.428 20 0 GIADMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000458536505 823052290 /nfs/dbraw/zinc/05/22/90/823052290.db2.gz GMOMWOAUAJHZLI-YLJYHZDGSA-N 1 1 383.540 4.010 20 0 GIADMO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000120728611 823053657 /nfs/dbraw/zinc/05/36/57/823053657.db2.gz RKMCIMDYJXIPIY-GMBSWORKSA-N 1 1 391.353 4.028 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175848551 823054656 /nfs/dbraw/zinc/05/46/56/823054656.db2.gz XLRVVKHDPHCXNF-WBVHZDCISA-N 1 1 378.925 4.237 20 0 GIADMO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175848551 823054661 /nfs/dbraw/zinc/05/46/61/823054661.db2.gz XLRVVKHDPHCXNF-WBVHZDCISA-N 1 1 378.925 4.237 20 0 GIADMO Cc1csc(-c2cccc(NC(=O)N3CCN(c4cc(C)cc[nH+]4)CC3)c2)n1 ZINC000120749134 823056737 /nfs/dbraw/zinc/05/67/37/823056737.db2.gz BPHZBQQDRJNDRI-UHFFFAOYSA-N 1 1 393.516 4.176 20 0 GIADMO CCc1cccc(C)c1NC(=O)CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000055870337 823057561 /nfs/dbraw/zinc/05/75/61/823057561.db2.gz QLWJAUVOTVGPFX-KDURUIRLSA-N 1 1 395.547 4.217 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1)c1cccs1 ZINC000175862595 823058141 /nfs/dbraw/zinc/05/81/41/823058141.db2.gz DPOZQSBNRZOTOB-RTBURBONSA-N 1 1 382.533 4.197 20 0 GIADMO COc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c(OC)c1 ZINC000570617644 823063114 /nfs/dbraw/zinc/06/31/14/823063114.db2.gz BVTRJZSQGSCLKF-ZIAGYGMSSA-N 1 1 395.931 4.132 20 0 GIADMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc4ccc(OC)cc4s3)ccc2NC1=O ZINC000187435358 823063173 /nfs/dbraw/zinc/06/31/73/823063173.db2.gz LFZOXCMWVFTMGJ-SJCJKPOMSA-N 1 1 397.500 4.265 20 0 GIADMO CCc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000570601114 823060413 /nfs/dbraw/zinc/06/04/13/823060413.db2.gz OJKHGVXNUSJIBM-GFCCVEGCSA-N 1 1 379.273 4.440 20 0 GIADMO CC(C)[C@@H](c1noc(CCCC[NH+]2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000570604911 823060973 /nfs/dbraw/zinc/06/09/73/823060973.db2.gz STZBDUPPLSYMEK-LJQANCHMSA-N 1 1 377.916 4.166 20 0 GIADMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000570608901 823061660 /nfs/dbraw/zinc/06/16/60/823061660.db2.gz NVQFLKIMPNSHIJ-LLVKDONJSA-N 1 1 381.826 4.131 20 0 GIADMO c1cc2cccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616326 823062925 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GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CN[C@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000056154637 823090934 /nfs/dbraw/zinc/09/09/34/823090934.db2.gz JQSMXWCXKPVEFV-CYFREDJKSA-N 1 1 391.559 4.171 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000056156170 823091214 /nfs/dbraw/zinc/09/12/14/823091214.db2.gz RBWXAPUODYBYAV-AZUAARDMSA-N 1 1 379.548 4.344 20 0 GIADMO Cc1ccccc1NC(=O)[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000056156170 823091220 /nfs/dbraw/zinc/09/12/20/823091220.db2.gz RBWXAPUODYBYAV-AZUAARDMSA-N 1 1 379.548 4.344 20 0 GIADMO Cc1nnc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1C1CC1 ZINC000120961693 823093532 /nfs/dbraw/zinc/09/35/32/823093532.db2.gz LQOUDOOKOVCOTN-CQSZACIVSA-N 1 1 393.466 4.164 20 0 GIADMO O=C(Cc1nsc2ccccc12)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000570836068 823093738 /nfs/dbraw/zinc/09/37/38/823093738.db2.gz BGFWOJQPXNHEIV-UHFFFAOYSA-N 1 1 386.546 4.310 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000458835139 823094819 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FDBBOQQEENZXDB-OAQYLSRUSA-N 1 1 395.551 4.125 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)ccc1OCc1ccccc1 ZINC000056202220 823102277 /nfs/dbraw/zinc/10/22/77/823102277.db2.gz PCYLRRCFHKZBKU-HXOBKFHXSA-N 1 1 390.483 4.151 20 0 GIADMO CC1(C)CCC[N@@H+](CCNC(=O)CCc2nc3cc(Cl)ccc3s2)C1 ZINC000570896876 823104543 /nfs/dbraw/zinc/10/45/43/823104543.db2.gz ZPGQPVHZFVMVQR-UHFFFAOYSA-N 1 1 379.957 4.121 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)cs1)C1CC1 ZINC000121028612 823105544 /nfs/dbraw/zinc/10/55/44/823105544.db2.gz UGTKTVFCUTZRSS-ZDUSSCGKSA-N 1 1 377.941 4.375 20 0 GIADMO CC(=O)N(c1nc(C[N@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)cs1)C1CC1 ZINC000121028612 823105547 /nfs/dbraw/zinc/10/55/47/823105547.db2.gz UGTKTVFCUTZRSS-ZDUSSCGKSA-N 1 1 377.941 4.375 20 0 GIADMO C[N@H+]1CC[C@@H](CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C1 ZINC000187658606 823107321 /nfs/dbraw/zinc/10/73/21/823107321.db2.gz FVIMJSXUGCRBRE-CQSZACIVSA-N 1 1 385.924 4.027 20 0 GIADMO Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c(Cl)c1 ZINC000570932830 823109153 /nfs/dbraw/zinc/10/91/53/823109153.db2.gz UEYQFHXVNNDSBP-UHFFFAOYSA-N 1 1 391.842 4.361 20 0 GIADMO COc1ccccc1-c1nnc(SC[C@H]2CC[N@@H+](C)C2)n1-c1ccc(C)cc1 ZINC000187667193 823109260 /nfs/dbraw/zinc/10/92/60/823109260.db2.gz PXXSYCXYIHZABX-KRWDZBQOSA-N 1 1 394.544 4.295 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)[C@@H]1O ZINC000570934226 823109449 /nfs/dbraw/zinc/10/94/49/823109449.db2.gz PADHLSONTBFNDU-SCWSEQNSSA-N 1 1 395.528 4.174 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCc1ccc(Br)cc1 ZINC000176077940 823113972 /nfs/dbraw/zinc/11/39/72/823113972.db2.gz KVSFEAPSSQWXFT-MRXNPFEDSA-N 1 1 381.358 4.153 20 0 GIADMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C[C@@H](C)C1 ZINC000570954509 823111870 /nfs/dbraw/zinc/11/18/70/823111870.db2.gz OSXXKFZQPHRPOY-MKBNYLNASA-N 1 1 380.319 4.277 20 0 GIADMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(F)c2ccccc21 ZINC000570960853 823112216 /nfs/dbraw/zinc/11/22/16/823112216.db2.gz JQDQVZDPKOVNRJ-PKOBYXMFSA-N 1 1 391.490 4.463 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000570980326 823115111 /nfs/dbraw/zinc/11/51/11/823115111.db2.gz VYSVSJJVGSLDGA-HSZRJFAPSA-N 1 1 393.531 4.047 20 0 GIADMO COc1cnccc1[C@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000187700785 823115570 /nfs/dbraw/zinc/11/55/70/823115570.db2.gz GVJKYABZVLSTKF-INIZCTEOSA-N 1 1 393.491 4.341 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459008573 823116197 /nfs/dbraw/zinc/11/61/97/823116197.db2.gz LYAPBIAACRRZSL-KUHUBIRLSA-N 1 1 381.923 4.304 20 0 GIADMO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000187710727 823117871 /nfs/dbraw/zinc/11/78/71/823117871.db2.gz KABVXJMTZLRLCF-UXHICEINSA-N 1 1 395.503 4.227 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCOC3(CCC3)C2)CC1)CC(C)C ZINC000459021909 823117933 /nfs/dbraw/zinc/11/79/33/823117933.db2.gz 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1 392.956 4.083 20 0 GIADMO CCCn1cc(CN2CCC[N@H+](Cc3cnc(-c4ccc(C)o4)s3)CC2)cn1 ZINC000121684310 823230156 /nfs/dbraw/zinc/23/01/56/823230156.db2.gz UOIRICQXTHEHMP-UHFFFAOYSA-N 1 1 399.564 4.026 20 0 GIADMO CCCn1cc(CN2CCC[N@@H+](Cc3cnc(-c4ccc(C)o4)s3)CC2)cn1 ZINC000121684310 823230163 /nfs/dbraw/zinc/23/01/63/823230163.db2.gz UOIRICQXTHEHMP-UHFFFAOYSA-N 1 1 399.564 4.026 20 0 GIADMO CC(C)Oc1ccccc1C[N@@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000571757615 823231055 /nfs/dbraw/zinc/23/10/55/823231055.db2.gz BUOXTAVWYXOQSS-UHFFFAOYSA-N 1 1 377.525 4.187 20 0 GIADMO COc1ccc(-c2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1 ZINC000176522890 823228654 /nfs/dbraw/zinc/22/86/54/823228654.db2.gz UPSGAECPDPABAJ-DOTOQJQBSA-N 1 1 387.549 4.048 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000121704091 823233797 /nfs/dbraw/zinc/23/37/97/823233797.db2.gz LYLVXFBIPQVIBQ-RQNDZEIBSA-N 1 1 388.861 4.476 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1nc2c(s1)CCC2 ZINC000459634387 823234192 /nfs/dbraw/zinc/23/41/92/823234192.db2.gz MSRFZZBIKPKKFC-CHWSQXEVSA-N 1 1 377.941 4.155 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459643853 823236787 /nfs/dbraw/zinc/23/67/87/823236787.db2.gz ONZZJUOQDCDKPM-QAPCUYQASA-N 1 1 398.469 4.257 20 0 GIADMO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459643853 823236788 /nfs/dbraw/zinc/23/67/88/823236788.db2.gz ONZZJUOQDCDKPM-QAPCUYQASA-N 1 1 398.469 4.257 20 0 GIADMO COc1cc2c(c(C[N@H+]3CC[C@@H](C(F)(F)F)C4(CCOCC4)C3)c1)O[C@H](C)C2 ZINC000459644695 823236984 /nfs/dbraw/zinc/23/69/84/823236984.db2.gz FPBPNJZPAVUCRY-RDTXWAMCSA-N 1 1 399.453 4.200 20 0 GIADMO CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459647018 823237868 /nfs/dbraw/zinc/23/78/68/823237868.db2.gz JMGZMMNYBNOUQG-GOSISDBHSA-N 1 1 387.442 4.275 20 0 GIADMO Fc1ccc(-c2noc(CCC[NH2+][C@H](c3ncc[nH]3)c3ccc(F)cc3)n2)cc1 ZINC000188448966 823242477 /nfs/dbraw/zinc/24/24/77/823242477.db2.gz FUUBCMFNYUCHGM-IBGZPJMESA-N 1 1 395.413 4.050 20 0 GIADMO Fc1ccc(-n2cc(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)cn2)cc1 ZINC000459653283 823239906 /nfs/dbraw/zinc/23/99/06/823239906.db2.gz RCPYCOAJJKPCET-SFHVURJKSA-N 1 1 397.416 4.192 20 0 GIADMO C[C@@H](c1ccc(NC(=O)NCC2CC(c3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000571823009 823240084 /nfs/dbraw/zinc/24/00/84/823240084.db2.gz NTSNLSGGNSHKIK-PGFLUOATSA-N 1 1 393.531 4.395 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)CC12CCOCC2 ZINC000459652847 823240072 /nfs/dbraw/zinc/24/00/72/823240072.db2.gz QXHVNCFVEPAJNR-GJZGRUSLSA-N 1 1 390.471 4.176 20 0 GIADMO C[C@@H]1CCc2nc(C[N@@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)sc2C1 ZINC000459652879 823240137 /nfs/dbraw/zinc/24/01/37/823240137.db2.gz RALFJKBTLOHVLO-CJNGLKHVSA-N 1 1 388.499 4.449 20 0 GIADMO C[C@@H]1CCc2nc(C[N@H+]3CC[C@H](C(F)(F)F)C4(CCOCC4)C3)sc2C1 ZINC000459652879 823240141 /nfs/dbraw/zinc/24/01/41/823240141.db2.gz RALFJKBTLOHVLO-CJNGLKHVSA-N 1 1 388.499 4.449 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(C)C)C1 ZINC000188433454 823240366 /nfs/dbraw/zinc/24/03/66/823240366.db2.gz BVWCANVKMBBULD-IBGZPJMESA-N 1 1 382.552 4.108 20 0 GIADMO COc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000459657156 823241686 /nfs/dbraw/zinc/24/16/86/823241686.db2.gz FGJPNGOVWXNHIV-YJBOKZPZSA-N 1 1 385.533 4.059 20 0 GIADMO COc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1SC ZINC000459657152 823241834 /nfs/dbraw/zinc/24/18/34/823241834.db2.gz FGJPNGOVWXNHIV-MAUKXSAKSA-N 1 1 385.533 4.059 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)c2nc(Cl)ccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176583440 823241999 /nfs/dbraw/zinc/24/19/99/823241999.db2.gz GLRUPOHBZYTSNW-ZFWWWQNUSA-N 1 1 378.303 4.171 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CC3CC(c4ccccc4)C3)c2)CCO1 ZINC000409529125 823242204 /nfs/dbraw/zinc/24/22/04/823242204.db2.gz RYCDGSMQSITBHZ-HRRASNIPSA-N 1 1 392.543 4.107 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3CC(c4ccccc4)C3)c2)CCO1 ZINC000409529125 823242207 /nfs/dbraw/zinc/24/22/07/823242207.db2.gz RYCDGSMQSITBHZ-HRRASNIPSA-N 1 1 392.543 4.107 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@H+](Cc2ccc(Br)cn2)CC12CCOCC2 ZINC000459661636 823243797 /nfs/dbraw/zinc/24/37/97/823243797.db2.gz MULBVRQTIXUJLO-CQSZACIVSA-N 1 1 393.247 4.025 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2ccc(Br)cn2)CC12CCOCC2 ZINC000459661636 823243803 /nfs/dbraw/zinc/24/38/03/823243803.db2.gz MULBVRQTIXUJLO-CQSZACIVSA-N 1 1 393.247 4.025 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(C)nn(Cc4ccc(Cl)cc4)c3C)C2)c1 ZINC000571843832 823244044 /nfs/dbraw/zinc/24/40/44/823244044.db2.gz NPOKVXHJMOGOQJ-HXUWFJFHSA-N 1 1 383.927 4.154 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2OC)cc1Cn1cccn1 ZINC000188461852 823244085 /nfs/dbraw/zinc/24/40/85/823244085.db2.gz ICNNTYWTMMXHQB-OAHLLOKOSA-N 1 1 385.895 4.453 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(-c3ccccn3)cc2)[C@@H](C)C1 ZINC000571844180 823244083 /nfs/dbraw/zinc/24/40/83/823244083.db2.gz DZINQDHYDXEWHB-RXVVDRJESA-N 1 1 396.535 4.007 20 0 GIADMO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000176600391 823245596 /nfs/dbraw/zinc/24/55/96/823245596.db2.gz SWNJZKTXESOGCM-LJQANCHMSA-N 1 1 392.547 4.470 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000057129525 823252315 /nfs/dbraw/zinc/25/23/15/823252315.db2.gz KEQYZZSWSZKAHE-SFHVURJKSA-N 1 1 385.474 4.442 20 0 GIADMO Fc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(C(F)(F)F)c1 ZINC000121792543 823252397 /nfs/dbraw/zinc/25/23/97/823252397.db2.gz OYHFIVVZAKYJST-AWEZNQCLSA-N 1 1 378.373 4.267 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3cc[nH]c(=O)c3c2)[C@@H]1c1cccs1 ZINC000571876402 823249091 /nfs/dbraw/zinc/24/90/91/823249091.db2.gz RVKWOZYSEXXHSZ-DNVCBOLYSA-N 1 1 396.516 4.207 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@H+](C)[C@@H]3CCC[C@H]3c3ccccc3)nc2c1 ZINC000571881375 823249388 /nfs/dbraw/zinc/24/93/88/823249388.db2.gz BJNCBFCOEQRYNG-AZUAARDMSA-N 1 1 398.528 4.390 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[N@@H+](C)[C@@H]3CCC[C@H]3c3ccccc3)nc2c1 ZINC000571881375 823249391 /nfs/dbraw/zinc/24/93/91/823249391.db2.gz BJNCBFCOEQRYNG-AZUAARDMSA-N 1 1 398.528 4.390 20 0 GIADMO CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000176617778 823250172 /nfs/dbraw/zinc/25/01/72/823250172.db2.gz XOFWHBUAXGKDIE-WBVHZDCISA-N 1 1 388.581 4.237 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@H](C)c2cccc(Cl)c2)cn1 ZINC000057118137 823250713 /nfs/dbraw/zinc/25/07/13/823250713.db2.gz QHGUMFFWMXSECO-CQSZACIVSA-N 1 1 383.883 4.132 20 0 GIADMO CCSCC[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000176623645 823251432 /nfs/dbraw/zinc/25/14/32/823251432.db2.gz IUTITGKROTYYMD-OHSMVPPVSA-N 1 1 375.582 4.013 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](CC(C)C)c2ccccc2)cn1 ZINC000057127327 823251934 /nfs/dbraw/zinc/25/19/34/823251934.db2.gz QDKDLDDNRIZTMT-FQEVSTJZSA-N 1 1 377.492 4.162 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CCC(c3ccccc3)CC2)cn1 ZINC000057127664 823252063 /nfs/dbraw/zinc/25/20/63/823252063.db2.gz JQPBJUXDYMEQCK-UHFFFAOYSA-N 1 1 389.503 4.101 20 0 GIADMO C[C@@H](C[NH+](C)C)NCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000571917149 823253622 /nfs/dbraw/zinc/25/36/22/823253622.db2.gz OALPSQFTQYGSEH-ZDUSSCGKSA-N 1 1 380.319 4.285 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000121799798 823254121 /nfs/dbraw/zinc/25/41/21/823254121.db2.gz SQPBXEBUOXRDHB-PMACEKPBSA-N 1 1 395.503 4.430 20 0 GIADMO Cc1ccccc1Cc1noc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000121799798 823254128 /nfs/dbraw/zinc/25/41/28/823254128.db2.gz SQPBXEBUOXRDHB-PMACEKPBSA-N 1 1 395.503 4.430 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)C/C=C/c3ccc(C)cc3)CC2)oc1C ZINC000176636068 823254341 /nfs/dbraw/zinc/25/43/41/823254341.db2.gz BWEYUHOJYZEKFG-SNAWJCMRSA-N 1 1 381.520 4.032 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000121802274 823254403 /nfs/dbraw/zinc/25/44/03/823254403.db2.gz RXAHPTKKOWXEEZ-SPLOXXLWSA-N 1 1 378.451 4.368 20 0 GIADMO CCc1cccc(CC)c1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000409596785 823257854 /nfs/dbraw/zinc/25/78/54/823257854.db2.gz AZLQYAJXSZKRCE-GOSISDBHSA-N 1 1 395.547 4.354 20 0 GIADMO C[C@H]1CCN(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000409583464 823254702 /nfs/dbraw/zinc/25/47/02/823254702.db2.gz ULGVJOBNBIKENX-HNNXBMFYSA-N 1 1 383.458 4.063 20 0 GIADMO CCc1cccc(CC)c1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000409596785 823257858 /nfs/dbraw/zinc/25/78/58/823257858.db2.gz AZLQYAJXSZKRCE-GOSISDBHSA-N 1 1 395.547 4.354 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000571926010 823255266 /nfs/dbraw/zinc/25/52/66/823255266.db2.gz RLCXMKMEWQOIGP-IBGZPJMESA-N 1 1 385.376 4.411 20 0 GIADMO O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057154093 823256164 /nfs/dbraw/zinc/25/61/64/823256164.db2.gz CFMHYNDKYMXYIE-HXUWFJFHSA-N 1 1 397.906 4.070 20 0 GIADMO Cc1c(C(=O)NCc2ccc(COc3ccccc3)cc2)cnn1-c1cc[nH+]cc1 ZINC000121814951 823256585 /nfs/dbraw/zinc/25/65/85/823256585.db2.gz VMNCVJBMRBHMSN-UHFFFAOYSA-N 1 1 398.466 4.085 20 0 GIADMO CN(c1ccccc1)C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057175246 823259325 /nfs/dbraw/zinc/25/93/25/823259325.db2.gz VFUWLBFOEIPHMY-QFIPXVFZSA-N 1 1 391.559 4.026 20 0 GIADMO C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411943474 823615650 /nfs/dbraw/zinc/61/56/50/823615650.db2.gz QQWUTZUNNKZPLC-MNOVXSKESA-N 1 1 382.348 4.195 20 0 GIADMO Cc1nnc([C@H](C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC000459748782 823259821 /nfs/dbraw/zinc/25/98/21/823259821.db2.gz IAMMMHTUBIBQLB-ONGXBYRLSA-N 1 1 396.535 4.304 20 0 GIADMO Cc1nnc([C@H](C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)s1 ZINC000459748782 823259826 /nfs/dbraw/zinc/25/98/26/823259826.db2.gz IAMMMHTUBIBQLB-ONGXBYRLSA-N 1 1 396.535 4.304 20 0 GIADMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000459748573 823260065 /nfs/dbraw/zinc/26/00/65/823260065.db2.gz DYKXKXBKCOPRRE-LLVKDONJSA-N 1 1 394.244 4.294 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000121838328 823260490 /nfs/dbraw/zinc/26/04/90/823260490.db2.gz ATCIBENXTLCDNH-SFTDATJTSA-N 1 1 398.503 4.179 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1)c1ccco1 ZINC000121862017 823265071 /nfs/dbraw/zinc/26/50/71/823265071.db2.gz XOHLCWXNJIVHPI-QZTJIDSGSA-N 1 1 385.439 4.337 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C[C@H]1C1CCCC1 ZINC000459796259 823265889 /nfs/dbraw/zinc/26/58/89/823265889.db2.gz QAOBMMHTNUQTGK-KBXCAEBGSA-N 1 1 378.488 4.461 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc(NC3CC3)nc2)c1 ZINC000057217817 823265979 /nfs/dbraw/zinc/26/59/79/823265979.db2.gz REPQQVTULMXOJX-UHFFFAOYSA-N 1 1 375.476 4.276 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000057222831 823266668 /nfs/dbraw/zinc/26/66/68/823266668.db2.gz RTIKJEQSFPPBMJ-UHFFFAOYSA-N 1 1 379.807 4.136 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cccc(OCc2cccs2)c1 ZINC000057223031 823266683 /nfs/dbraw/zinc/26/66/83/823266683.db2.gz DFZLLWZSANSXJO-UHFFFAOYSA-N 1 1 390.468 4.469 20 0 GIADMO O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000121882176 823269522 /nfs/dbraw/zinc/26/95/22/823269522.db2.gz DFCCNOYFOLIIIB-OAQYLSRUSA-N 1 1 390.483 4.145 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000572026302 823271091 /nfs/dbraw/zinc/27/10/91/823271091.db2.gz YVIWWFUEAZEURD-UHFFFAOYSA-N 1 1 393.409 4.374 20 0 GIADMO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1 ZINC000409643311 823271435 /nfs/dbraw/zinc/27/14/35/823271435.db2.gz BGJABAQIMIXTMS-SJLPKXTDSA-N 1 1 378.900 4.435 20 0 GIADMO Cc1nc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1Br ZINC000409645663 823272278 /nfs/dbraw/zinc/27/22/78/823272278.db2.gz OQAVDYQUUDRCKY-AWEZNQCLSA-N 1 1 375.314 4.069 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000409646177 823272440 /nfs/dbraw/zinc/27/24/40/823272440.db2.gz UBDAEBMRUDXSRS-UHFFFAOYSA-N 1 1 376.888 4.378 20 0 GIADMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000572040093 823272972 /nfs/dbraw/zinc/27/29/72/823272972.db2.gz WZRWQEMUHBPADN-LJQANCHMSA-N 1 1 378.285 4.015 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000121902308 823273581 /nfs/dbraw/zinc/27/35/81/823273581.db2.gz AXMKIHCLCJRAHW-CQSZACIVSA-N 1 1 378.314 4.044 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N[C@@H]3c4cccc(F)c4CC[C@H]3C)CC2)[nH+]c1 ZINC000176733496 823280330 /nfs/dbraw/zinc/28/03/30/823280330.db2.gz ILZLKNYVQSFDNA-ZHRRBRCNSA-N 1 1 381.495 4.185 20 0 GIADMO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N(C)c2ccccn2)c1 ZINC000460016246 823279346 /nfs/dbraw/zinc/27/93/46/823279346.db2.gz MLKJGZSDYFFUEX-PKTZIBPZSA-N 1 1 385.511 4.269 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1occc1Br ZINC000176728960 823279421 /nfs/dbraw/zinc/27/94/21/823279421.db2.gz JXXLYTNCNZVXDU-CQSZACIVSA-N 1 1 391.309 4.347 20 0 GIADMO CCc1nnc(C)cc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1C ZINC000460018245 823279518 /nfs/dbraw/zinc/27/95/18/823279518.db2.gz LWEUEYPQKXVGOL-UHFFFAOYSA-N 1 1 389.381 4.113 20 0 GIADMO C[C@@H](c1ccco1)N(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000121913161 823275981 /nfs/dbraw/zinc/27/59/81/823275981.db2.gz USXWJTUVGYRATP-IRXDYDNUSA-N 1 1 387.549 4.488 20 0 GIADMO c1[nH+]c([C@@H]2CCCN(c3ncnc4sc5c(c43)CCC5)C2)n2c1CCCC2 ZINC000409658878 823276172 /nfs/dbraw/zinc/27/61/72/823276172.db2.gz VRDKWSINFZVOTR-CQSZACIVSA-N 1 1 379.533 4.097 20 0 GIADMO O=C(Nc1ccc2nc(C(F)F)sc2c1)c1cc(C[NH+]2CCCC2)on1 ZINC000572061390 823276283 /nfs/dbraw/zinc/27/62/83/823276283.db2.gz XAGSRNVYJZTFQK-UHFFFAOYSA-N 1 1 378.404 4.070 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(Cl)nc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000176720696 823276559 /nfs/dbraw/zinc/27/65/59/823276559.db2.gz PWPUTPPQYNMOIV-TZMCWYRMSA-N 1 1 396.293 4.310 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000460023456 823280179 /nfs/dbraw/zinc/28/01/79/823280179.db2.gz PKYZVJMHUDQQLA-VXGBXAGGSA-N 1 1 381.398 4.342 20 0 GIADMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000572068632 823277527 /nfs/dbraw/zinc/27/75/27/823277527.db2.gz ISFWFCRAOICUDY-AWEZNQCLSA-N 1 1 384.467 4.288 20 0 GIADMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccoc1C1CC1 ZINC000409698848 823285344 /nfs/dbraw/zinc/28/53/44/823285344.db2.gz QPCRFMIOEDLZMJ-MRXNPFEDSA-N 1 1 378.394 4.180 20 0 GIADMO C[C@H](C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21)[C@H]1OCCc2sccc21 ZINC000460027309 823280783 /nfs/dbraw/zinc/28/07/83/823280783.db2.gz QAVNCCJTXDJEHT-LUQKVYGDSA-N 1 1 382.529 4.009 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(C)C)nn1C ZINC000460031275 823281255 /nfs/dbraw/zinc/28/12/55/823281255.db2.gz VXBITUPYBFRHAV-UHFFFAOYSA-N 1 1 391.397 4.309 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000572100742 823283530 /nfs/dbraw/zinc/28/35/30/823283530.db2.gz UDHXBONOWFYMNC-IBGZPJMESA-N 1 1 393.384 4.162 20 0 GIADMO COc1ccc2c(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)cc(=O)oc2c1 ZINC000121950538 823283782 /nfs/dbraw/zinc/28/37/82/823283782.db2.gz QSMXODLNNVKMEW-PXNSSMCTSA-N 1 1 397.471 4.263 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CCCOc3ccccc32)cc1 ZINC000121957083 823284590 /nfs/dbraw/zinc/28/45/90/823284590.db2.gz GYHZPVYLWMZLLI-IIBYNOLFSA-N 1 1 390.487 4.455 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000460104469 823285156 /nfs/dbraw/zinc/28/51/56/823285156.db2.gz JTUQULOPSBZRRO-QGZVFWFLSA-N 1 1 381.307 4.339 20 0 GIADMO Cc1cccc(OCCCCC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000057385026 823286283 /nfs/dbraw/zinc/28/62/83/823286283.db2.gz STWQMOYZFWDGTA-UHFFFAOYSA-N 1 1 380.532 4.279 20 0 GIADMO CC[C@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1cccs1 ZINC000460111656 823286748 /nfs/dbraw/zinc/28/67/48/823286748.db2.gz SAUFDPKJIJZDHD-AABGKKOBSA-N 1 1 383.561 4.363 20 0 GIADMO CC1(C)CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCS1 ZINC000572128971 823287450 /nfs/dbraw/zinc/28/74/50/823287450.db2.gz VNWSSRSWRCDCLG-FQEVSTJZSA-N 1 1 389.609 4.216 20 0 GIADMO C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1c(F)cccc1F ZINC000460116565 823287593 /nfs/dbraw/zinc/28/75/93/823287593.db2.gz ZMHVTZIQULINDJ-WDSOQIARSA-N 1 1 399.485 4.189 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)[C@H](Sc3ccccc3)C(C)C)sc2C1 ZINC000409711845 823288586 /nfs/dbraw/zinc/28/85/86/823288586.db2.gz WPKSVLDELUWRRL-QGZVFWFLSA-N 1 1 375.563 4.277 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)[C@H](Sc3ccccc3)C(C)C)sc2C1 ZINC000409711845 823288589 /nfs/dbraw/zinc/28/85/89/823288589.db2.gz WPKSVLDELUWRRL-QGZVFWFLSA-N 1 1 375.563 4.277 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176771304 823289385 /nfs/dbraw/zinc/28/93/85/823289385.db2.gz MUMSQJDTBAVGRK-CALCHBBNSA-N 1 1 393.959 4.392 20 0 GIADMO Cc1ccc(NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000176773111 823289604 /nfs/dbraw/zinc/28/96/04/823289604.db2.gz LHAORJRGTNLCCX-CALCHBBNSA-N 1 1 393.959 4.392 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)Nc1ccc(Br)cc1 ZINC000007374561 817826892 /nfs/dbraw/zinc/82/68/92/817826892.db2.gz IKHYTAHQIKKCBT-QWRGUYRKSA-N 1 1 383.236 4.405 20 0 GIADMO CCN(C(=O)Nc1cc(F)c(F)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460131863 823291164 /nfs/dbraw/zinc/29/11/64/823291164.db2.gz DLCRKZUBNXYZTK-HNNXBMFYSA-N 1 1 377.410 4.232 20 0 GIADMO CCN(C(=O)Nc1ccccc1-n1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460135310 823292264 /nfs/dbraw/zinc/29/22/64/823292264.db2.gz UGHFTEFVMRFXEF-FQEVSTJZSA-N 1 1 389.503 4.001 20 0 GIADMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc3ccc(SC)cc3nc2Cl)C1 ZINC000007449378 817844136 /nfs/dbraw/zinc/84/41/36/817844136.db2.gz XTXUMZMOGUYHSN-AWEZNQCLSA-N 1 1 378.925 4.385 20 0 GIADMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc3ccc(SC)cc3nc2Cl)C1 ZINC000007449378 817844145 /nfs/dbraw/zinc/84/41/45/817844145.db2.gz XTXUMZMOGUYHSN-AWEZNQCLSA-N 1 1 378.925 4.385 20 0 GIADMO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000007452175 817844805 /nfs/dbraw/zinc/84/48/05/817844805.db2.gz BICSYRGLKQGLTP-UHFFFAOYSA-N 1 1 376.884 4.045 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2C)cc1OC ZINC000007452175 817844814 /nfs/dbraw/zinc/84/48/14/817844814.db2.gz BICSYRGLKQGLTP-UHFFFAOYSA-N 1 1 376.884 4.045 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(c3ccnc4c(Br)ccc(F)c34)CC[C@H]21 ZINC000409731287 823293142 /nfs/dbraw/zinc/29/31/42/823293142.db2.gz YSLZLOBLVUTZCK-IUODEOHRSA-N 1 1 378.289 4.057 20 0 GIADMO COc1cccc(Cl)c1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000460137139 823293271 /nfs/dbraw/zinc/29/32/71/823293271.db2.gz GZSFMZCRRCGDFQ-GJZGRUSLSA-N 1 1 388.895 4.210 20 0 GIADMO CCCC[C@H](C)N(C)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000460137617 823293477 /nfs/dbraw/zinc/29/34/77/823293477.db2.gz SPVQWFQYFCSUIA-FHWLQOOXSA-N 1 1 375.557 4.016 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[C@H]1C=CCCC1 ZINC000188727042 823294027 /nfs/dbraw/zinc/29/40/27/823294027.db2.gz YUMCRSNBIRYZSM-PZJWPPBQSA-N 1 1 378.520 4.323 20 0 GIADMO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007554167 817868774 /nfs/dbraw/zinc/86/87/74/817868774.db2.gz PPERKKUEDSZVJB-QGZVFWFLSA-N 1 1 397.519 4.273 20 0 GIADMO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007554167 817868781 /nfs/dbraw/zinc/86/87/81/817868781.db2.gz PPERKKUEDSZVJB-QGZVFWFLSA-N 1 1 397.519 4.273 20 0 GIADMO C[NH+](C)[C@H](C(=O)N1CCC2(CC1)OCCc1ccccc12)c1ccc(Cl)cc1 ZINC000572176017 823294948 /nfs/dbraw/zinc/29/49/48/823294948.db2.gz ZOQRDCVPRCGEBH-NRFANRHFSA-N 1 1 398.934 4.033 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000007682744 817894433 /nfs/dbraw/zinc/89/44/33/817894433.db2.gz ZYLXSQQNSCXPOM-QFIPXVFZSA-N 1 1 380.513 4.094 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](c2cccs2)c2ccccc2)cc1 ZINC000007682744 817894436 /nfs/dbraw/zinc/89/44/36/817894436.db2.gz ZYLXSQQNSCXPOM-QFIPXVFZSA-N 1 1 380.513 4.094 20 0 GIADMO Cc1ccccc1C1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCOCC1 ZINC000057433931 823296599 /nfs/dbraw/zinc/29/65/99/823296599.db2.gz JXJPZXKXXRTQOO-UHFFFAOYSA-N 1 1 394.559 4.200 20 0 GIADMO C[C@@H](NC(=O)NCC1CCC(F)(F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000409742770 823296822 /nfs/dbraw/zinc/29/68/22/823296822.db2.gz SPIKAUHXXJHHPG-APWZRJJASA-N 1 1 379.495 4.022 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)c1ccccc1Br)c1ccccc1Cl ZINC000007797918 817918417 /nfs/dbraw/zinc/91/84/17/817918417.db2.gz IVRUOSCXZDRKPT-MRXNPFEDSA-N 1 1 381.701 4.135 20 0 GIADMO CCCC[C@H](C)N(C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000460164059 823302781 /nfs/dbraw/zinc/30/27/81/823302781.db2.gz CIFNZPLGMNHEPV-GBESFXJTSA-N 1 1 375.557 4.016 20 0 GIADMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000007901818 817954417 /nfs/dbraw/zinc/95/44/17/817954417.db2.gz QIYRFFCFFHVJTD-CYBMUJFWSA-N 1 1 382.838 4.251 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000007901818 817954421 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COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1OC ZINC000008121815 818003869 /nfs/dbraw/zinc/00/38/69/818003869.db2.gz HAAPAXOQXCROMN-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000008121922 818003998 /nfs/dbraw/zinc/00/39/98/818003998.db2.gz TXELVMVSXVQXCF-LLVKDONJSA-N 1 1 381.259 4.054 20 0 GIADMO C[C@@H](c1ccco1)N(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000122099581 823306199 /nfs/dbraw/zinc/30/61/99/823306199.db2.gz HLCBWKHORZHMGY-AZUAARDMSA-N 1 1 381.520 4.079 20 0 GIADMO O=C(COc1ccc2ccccc2c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000010974780 818037762 /nfs/dbraw/zinc/03/77/62/818037762.db2.gz KXZNTBKNPBJELL-UHFFFAOYSA-N 1 1 392.474 4.092 20 0 GIADMO O=C(COc1ccc2ccccc2c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000010974780 818037765 /nfs/dbraw/zinc/03/77/65/818037765.db2.gz KXZNTBKNPBJELL-UHFFFAOYSA-N 1 1 392.474 4.092 20 0 GIADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000176845247 823307634 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NGJFSRAKTKNUMX-AWEZNQCLSA-N 1 1 393.314 4.144 20 0 GIADMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)c1C ZINC000015105680 818291004 /nfs/dbraw/zinc/29/10/04/818291004.db2.gz YYAGRODEGSGZCP-IBGZPJMESA-N 1 1 398.503 4.227 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000015144215 818295184 /nfs/dbraw/zinc/29/51/84/818295184.db2.gz CTFNHPDUNALPJE-AWEZNQCLSA-N 1 1 376.884 4.125 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000015144215 818295191 /nfs/dbraw/zinc/29/51/91/818295191.db2.gz CTFNHPDUNALPJE-AWEZNQCLSA-N 1 1 376.884 4.125 20 0 GIADMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000176936280 823328797 /nfs/dbraw/zinc/32/87/97/823328797.db2.gz KVLQSJKNZPKRPF-INIZCTEOSA-N 1 1 381.505 4.375 20 0 GIADMO COc1ccc(C[N@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C2CC2)cc1 ZINC000015485900 818328105 /nfs/dbraw/zinc/32/81/05/818328105.db2.gz KHPOYIHRFBDUAJ-UHFFFAOYSA-N 1 1 388.895 4.269 20 0 GIADMO 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COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F ZINC000016591962 818457555 /nfs/dbraw/zinc/45/75/55/818457555.db2.gz PTZACUQGPCGWTM-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F ZINC000016591962 818457560 /nfs/dbraw/zinc/45/75/60/818457560.db2.gz PTZACUQGPCGWTM-LBPRGKRZSA-N 1 1 398.837 4.409 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000057870723 823343455 /nfs/dbraw/zinc/34/34/55/823343455.db2.gz YKNBMBIKWUNAKS-UHFFFAOYSA-N 1 1 397.700 4.182 20 0 GIADMO CCCc1c(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cnn1-c1ccc(C)cc1 ZINC000572434984 823338639 /nfs/dbraw/zinc/33/86/39/823338639.db2.gz VOFYMFHCHYDEGB-UHFFFAOYSA-N 1 1 382.552 4.080 20 0 GIADMO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1OC ZINC000017310671 818507804 /nfs/dbraw/zinc/50/78/04/818507804.db2.gz ASAUZKZZGCJAEN-UHFFFAOYSA-N 1 1 389.858 4.280 20 0 GIADMO COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)cc1OC ZINC000017310735 818507925 /nfs/dbraw/zinc/50/79/25/818507925.db2.gz XOMQSGKDOIXWBC-UHFFFAOYSA-N 1 1 385.895 4.200 20 0 GIADMO Cc1ccc(-c2nn(Cc3ccccc3)cc2CNC2CC[NH+](C)CC2)cc1C ZINC000017314079 818508411 /nfs/dbraw/zinc/50/84/11/818508411.db2.gz UCCIYMKNYMKQLN-UHFFFAOYSA-N 1 1 388.559 4.399 20 0 GIADMO Fc1ccc(Cn2cc(C[NH2+]Cc3ccccc3OC(F)(F)F)cn2)cc1 ZINC000189011093 823342005 /nfs/dbraw/zinc/34/20/05/823342005.db2.gz MIBAPWBUUSDZGV-UHFFFAOYSA-N 1 1 379.357 4.259 20 0 GIADMO C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000122361150 823343664 /nfs/dbraw/zinc/34/36/64/823343664.db2.gz ZLNAWCYTDBINHY-UHFFFAOYSA-N 1 1 393.453 4.119 20 0 GIADMO C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000122361150 823343671 /nfs/dbraw/zinc/34/36/71/823343671.db2.gz ZLNAWCYTDBINHY-UHFFFAOYSA-N 1 1 393.453 4.119 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CCC[N@H+](C2CC2)CC1 ZINC000176989386 823343792 /nfs/dbraw/zinc/34/37/92/823343792.db2.gz UIOLYWKZBCTTSU-LBPRGKRZSA-N 1 1 381.307 4.275 20 0 GIADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000018164539 818553087 /nfs/dbraw/zinc/55/30/87/818553087.db2.gz LPOSPEBBUILYHO-NRFANRHFSA-N 1 1 399.560 4.122 20 0 GIADMO CC(C)[N@H+](C)Cc1ccccc1CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189040695 823346699 /nfs/dbraw/zinc/34/66/99/823346699.db2.gz PPZVTAGBEIGOLP-UHFFFAOYSA-N 1 1 380.511 4.201 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189040695 823346706 /nfs/dbraw/zinc/34/67/06/823346706.db2.gz PPZVTAGBEIGOLP-UHFFFAOYSA-N 1 1 380.511 4.201 20 0 GIADMO COc1cccc(C[N@H+](C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000018905060 818580435 /nfs/dbraw/zinc/58/04/35/818580435.db2.gz URMLSASZQDUCSS-UHFFFAOYSA-N 1 1 381.501 4.198 20 0 GIADMO COc1cccc(C[N@@H+](C)CC(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000018905060 818580441 /nfs/dbraw/zinc/58/04/41/818580441.db2.gz URMLSASZQDUCSS-UHFFFAOYSA-N 1 1 381.501 4.198 20 0 GIADMO C[C@@H](NC(=O)c1c[nH]nc1-c1cc2ccccc2o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189051627 823348749 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GIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccccc2Oc2ccccc2)C[C@@H](C)O1 ZINC000021056129 818650815 /nfs/dbraw/zinc/65/08/15/818650815.db2.gz USKKEAOOWOMFED-QZTJIDSGSA-N 1 1 382.504 4.097 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc4[nH]c5c(c4c3)C[C@@H](C)CC5)sc2C1 ZINC000021294128 818672553 /nfs/dbraw/zinc/67/25/53/818672553.db2.gz SQRWGXKVDGJKBI-ZDUSSCGKSA-N 1 1 394.544 4.380 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc4[nH]c5c(c4c3)C[C@@H](C)CC5)sc2C1 ZINC000021294128 818672559 /nfs/dbraw/zinc/67/25/59/818672559.db2.gz SQRWGXKVDGJKBI-ZDUSSCGKSA-N 1 1 394.544 4.380 20 0 GIADMO Clc1cnn([C@@H]2CC[N@H+](Cc3cc(Br)cc4cccnc43)C2)c1 ZINC000572530086 823355148 /nfs/dbraw/zinc/35/51/48/823355148.db2.gz IPHPJYSOWXZZKO-MRXNPFEDSA-N 1 1 391.700 4.294 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000057962729 823351097 /nfs/dbraw/zinc/35/10/97/823351097.db2.gz QHICXKPOZANVNW-UHFFFAOYSA-N 1 1 385.552 4.229 20 0 GIADMO O=C([C@H]1CCCC(F)(F)C1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000409969582 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Fc1ccc(-c2nc(C[N@@H+](C[C@H]3CCCO3)[C@@H]3CCSC3)co2)cc1F ZINC000123535912 823518893 /nfs/dbraw/zinc/51/88/93/823518893.db2.gz XORYQUFACBFEBM-HZPDHXFCSA-N 1 1 380.460 4.106 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1cccc(OCC=C(C)C)c1)[NH+](C)C ZINC000460812040 823519353 /nfs/dbraw/zinc/51/93/53/823519353.db2.gz IKWXQLBOCFTWOG-OAQYLSRUSA-N 1 1 382.504 4.073 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCCC1=CCCC1)C1CCCCC1 ZINC000123545783 823519712 /nfs/dbraw/zinc/51/97/12/823519712.db2.gz GXSWNJROXXWBHE-UHFFFAOYSA-N 1 1 383.536 4.006 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1sc(C)nc1-c1ccccc1)[NH+](C)C ZINC000032694458 820993020 /nfs/dbraw/zinc/99/30/20/820993020.db2.gz MMQWMDMFSBSLBR-GOSISDBHSA-N 1 1 395.528 4.160 20 0 GIADMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000060368175 823520277 /nfs/dbraw/zinc/52/02/77/823520277.db2.gz SQYKVMQXISADKK-HDICACEKSA-N 1 1 381.520 4.193 20 0 GIADMO COc1ccc(-c2nc(C)c(C(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000032733750 821000469 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397.538 4.305 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(C)cc(Br)cc1C ZINC000177761189 823521921 /nfs/dbraw/zinc/52/19/21/823521921.db2.gz VGKJZPNXLDEZEN-CVEARBPZSA-N 1 1 380.330 4.156 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000189989298 823522429 /nfs/dbraw/zinc/52/24/29/823522429.db2.gz OJBRJOGDDXJYQX-HDICACEKSA-N 1 1 375.557 4.335 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000060394610 823523324 /nfs/dbraw/zinc/52/33/24/823523324.db2.gz AIUJEYTVYQRHPS-UHFFFAOYSA-N 1 1 393.369 4.060 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000177817752 823530030 /nfs/dbraw/zinc/53/00/30/823530030.db2.gz GDBBYWSGWNTVGN-BDAKNGLRSA-N 1 1 397.133 4.394 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)Cc3c(C)nc4ccccc4c3C)CC2)c1 ZINC000060450922 823529246 /nfs/dbraw/zinc/52/92/46/823529246.db2.gz ZFEGGZICWXITCD-UHFFFAOYSA-N 1 1 387.527 4.047 20 0 GIADMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)cc1 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LPBBGKRPOOZYIG-QRVBRYPASA-N 1 1 397.485 4.127 20 0 GIADMO O[C@@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000060460707 823530469 /nfs/dbraw/zinc/53/04/69/823530469.db2.gz VSRIHDWJDNQBAV-JLXBBBJOSA-N 1 1 390.449 4.070 20 0 GIADMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000060466482 823531293 /nfs/dbraw/zinc/53/12/93/823531293.db2.gz FXWHUYUWFJHCSC-UHFFFAOYSA-N 1 1 376.447 4.005 20 0 GIADMO CCOc1ccc(CN2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000060466482 823531296 /nfs/dbraw/zinc/53/12/96/823531296.db2.gz FXWHUYUWFJHCSC-UHFFFAOYSA-N 1 1 376.447 4.005 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCOc2cccc(F)c2)C1 ZINC000060475238 823532146 /nfs/dbraw/zinc/53/21/46/823532146.db2.gz WUEOULYQAVTYPR-GOSISDBHSA-N 1 1 384.495 4.143 20 0 GIADMO COc1ccc(CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1F ZINC000060475254 823532205 /nfs/dbraw/zinc/53/22/05/823532205.db2.gz BGYGKEBJAGNVTI-QGZVFWFLSA-N 1 1 384.495 4.068 20 0 GIADMO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1cccs1 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BSCZKIBMCMUGNP-MQVJKMGUSA-N 1 1 375.925 4.030 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000177853081 823536624 /nfs/dbraw/zinc/53/66/24/823536624.db2.gz KOSXETHPOISEJB-MSOLQXFVSA-N 1 1 386.540 4.070 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)CC1 ZINC000041577831 821213346 /nfs/dbraw/zinc/21/33/46/821213346.db2.gz QYEVNTFOVABLNI-UHFFFAOYSA-N 1 1 393.865 4.008 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)C1 ZINC000177856792 823537137 /nfs/dbraw/zinc/53/71/37/823537137.db2.gz VXMSKBJQPLSWBH-VQTJNVASSA-N 1 1 379.548 4.190 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460894892 823537266 /nfs/dbraw/zinc/53/72/66/823537266.db2.gz MLNQCXLBCBBQFD-KANFNMMFSA-N 1 1 397.485 4.269 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCc2nnc(C3CCCC3)o2)cc1 ZINC000123752496 823537415 /nfs/dbraw/zinc/53/74/15/823537415.db2.gz ULWPGEWAXDPFML-HNNXBMFYSA-N 1 1 393.491 4.031 20 0 GIADMO CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190108340 823538102 /nfs/dbraw/zinc/53/81/02/823538102.db2.gz ZWHJZDSEORQPQN-RDJZCZTQSA-N 1 1 378.944 4.050 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000060533254 823539132 /nfs/dbraw/zinc/53/91/32/823539132.db2.gz MLQGCEFZHWWVPG-QFIPXVFZSA-N 1 1 379.548 4.486 20 0 GIADMO C[C@H]1CN(C(=O)Nc2ccccc2SC2CCCC2)CC[N@H+]1CC(C)(C)O ZINC000190118296 823539572 /nfs/dbraw/zinc/53/95/72/823539572.db2.gz QEJRFZZTTCRSHQ-INIZCTEOSA-N 1 1 391.581 4.030 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000042147770 821274690 /nfs/dbraw/zinc/27/46/90/821274690.db2.gz KGCDPNNCBLYTNS-ROUUACIJSA-N 1 1 387.568 4.106 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cc(Br)ccc2OC)c(OC)c1 ZINC000042230541 821289046 /nfs/dbraw/zinc/28/90/46/821289046.db2.gz SAJYHRZIHVMEBU-LBPRGKRZSA-N 1 1 380.282 4.326 20 0 GIADMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000042330716 821301581 /nfs/dbraw/zinc/30/15/81/821301581.db2.gz IJNNVUNIXWDQSS-RDTXWAMCSA-N 1 1 392.421 4.166 20 0 GIADMO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000042330716 821301590 /nfs/dbraw/zinc/30/15/90/821301590.db2.gz IJNNVUNIXWDQSS-RDTXWAMCSA-N 1 1 392.421 4.166 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000042573966 821312520 /nfs/dbraw/zinc/31/25/20/821312520.db2.gz AMEKQKVIVBDMPW-HXUWFJFHSA-N 1 1 392.543 4.407 20 0 GIADMO CC(C)(C)n1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C1CC1 ZINC000042764024 821331850 /nfs/dbraw/zinc/33/18/50/821331850.db2.gz ANOGWIBWKWSBCS-LJQANCHMSA-N 1 1 384.524 4.066 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)CCc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123796178 823541603 /nfs/dbraw/zinc/54/16/03/823541603.db2.gz LGXSIVWTACHMMO-KKSFZXQISA-N 1 1 392.877 4.360 20 0 GIADMO COCc1c2ccccc2oc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000043086236 821359432 /nfs/dbraw/zinc/35/94/32/821359432.db2.gz MUBCJXIHPXHVBP-UHFFFAOYSA-N 1 1 380.488 4.349 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1Br ZINC000043132965 821364729 /nfs/dbraw/zinc/36/47/29/821364729.db2.gz ILDPDLHUYPJTTR-UHFFFAOYSA-N 1 1 388.309 4.019 20 0 GIADMO O=C(Nc1ccccc1Br)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043133259 821364838 /nfs/dbraw/zinc/36/48/38/821364838.db2.gz FOKIZGPFPIMNPI-UHFFFAOYSA-N 1 1 388.309 4.189 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccco1 ZINC000043137523 821366540 /nfs/dbraw/zinc/36/65/40/821366540.db2.gz OFTXXVVCHPVWSV-CVEARBPZSA-N 1 1 384.505 4.039 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000180626750 821374129 /nfs/dbraw/zinc/37/41/29/821374129.db2.gz HXJYVCYTPQFHIP-CYBMUJFWSA-N 1 1 393.413 4.399 20 0 GIADMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000180647622 821381441 /nfs/dbraw/zinc/38/14/41/821381441.db2.gz QEOFUERTAUDDJF-OXQOHEQNSA-N 1 1 385.508 4.233 20 0 GIADMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000043268673 821383837 /nfs/dbraw/zinc/38/38/37/821383837.db2.gz VJCNMDZMFNBJAS-UHFFFAOYSA-N 1 1 390.487 4.063 20 0 GIADMO CCc1ccc([C@@H]([NH2+][C@@H](C)c2c[nH]nc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180662738 821386862 /nfs/dbraw/zinc/38/68/62/821386862.db2.gz HZSPZMXUKOEPTI-OYHNWAKOSA-N 1 1 397.544 4.124 20 0 GIADMO CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000043307405 821390094 /nfs/dbraw/zinc/39/00/94/821390094.db2.gz BUKGRHNHEUMTLM-SFHVURJKSA-N 1 1 381.854 4.063 20 0 GIADMO Cc1nc(Br)ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180674424 821391014 /nfs/dbraw/zinc/39/10/14/821391014.db2.gz QNTHBBGVIRGEHG-INIZCTEOSA-N 1 1 388.309 4.003 20 0 GIADMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000180717653 821415546 /nfs/dbraw/zinc/41/55/46/821415546.db2.gz WOWOUCHRODIHGJ-HOTGVXAUSA-N 1 1 380.282 4.144 20 0 GIADMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000180717628 821415581 /nfs/dbraw/zinc/41/55/81/821415581.db2.gz WOWOUCHRODIHGJ-CVEARBPZSA-N 1 1 380.282 4.144 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(N2CCCC2)cc1C)[NH+](C)C ZINC000043496808 821418378 /nfs/dbraw/zinc/41/83/78/821418378.db2.gz IOBLICNJJXHCAV-NRFANRHFSA-N 1 1 396.535 4.028 20 0 GIADMO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc(Br)ccc1F ZINC000180738551 821426294 /nfs/dbraw/zinc/42/62/94/821426294.db2.gz PGNQIIHTDIUNKC-HNNXBMFYSA-N 1 1 399.348 4.274 20 0 GIADMO CCOc1ccc([C@H](C)NCC2([NH+]3CCCCC3)CCOCC2)cc1OCC ZINC000180739543 821427037 /nfs/dbraw/zinc/42/70/37/821427037.db2.gz RAHUHJGRKAFFAV-IBGZPJMESA-N 1 1 390.568 4.170 20 0 GIADMO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1Br ZINC000180740157 821427764 /nfs/dbraw/zinc/42/77/64/821427764.db2.gz MEQCNWSNRKOWCR-HNNXBMFYSA-N 1 1 399.348 4.274 20 0 GIADMO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1OC(F)F ZINC000180741731 821428812 /nfs/dbraw/zinc/42/88/12/821428812.db2.gz HBQDGJTUGQBHHF-OAHLLOKOSA-N 1 1 386.458 4.113 20 0 GIADMO Cc1ncccc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749231 821432353 /nfs/dbraw/zinc/43/23/53/821432353.db2.gz RMWBZGKLTDMIFX-RBUKOAKNSA-N 1 1 375.875 4.136 20 0 GIADMO Cc1ncccc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749231 821432358 /nfs/dbraw/zinc/43/23/58/821432358.db2.gz RMWBZGKLTDMIFX-RBUKOAKNSA-N 1 1 375.875 4.136 20 0 GIADMO Cc1ccc(-c2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4C)nc3)s2)o1 ZINC000180749317 821433237 /nfs/dbraw/zinc/43/32/37/821433237.db2.gz GLQNQNFFDLZLRA-UHFFFAOYSA-N 1 1 378.457 4.136 20 0 GIADMO COc1cccc2c1CC[N@@H+](Cc1ccc(OCc3ccncc3)c(OC)c1)C2 ZINC000180784562 821456673 /nfs/dbraw/zinc/45/66/73/821456673.db2.gz XZWLIRQVEZYGEU-UHFFFAOYSA-N 1 1 390.483 4.236 20 0 GIADMO COc1cccc2c1CC[N@H+](Cc1ccc(OCc3ccncc3)c(OC)c1)C2 ZINC000180784562 821456677 /nfs/dbraw/zinc/45/66/77/821456677.db2.gz XZWLIRQVEZYGEU-UHFFFAOYSA-N 1 1 390.483 4.236 20 0 GIADMO COc1cc2nc(C[NH2+][C@H](c3cccc(C)c3)C(C)(C)C)[nH]c(=O)c2cc1OC ZINC000180790671 821460246 /nfs/dbraw/zinc/46/02/46/821460246.db2.gz PEXCLKLKPUSLJQ-OAQYLSRUSA-N 1 1 395.503 4.126 20 0 GIADMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000043803229 821461477 /nfs/dbraw/zinc/46/14/77/821461477.db2.gz ZYYMAWPXGYBISG-IBGZPJMESA-N 1 1 398.894 4.280 20 0 GIADMO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4nncn4C4CC4)C3)cs2)cc1 ZINC000180858241 821498328 /nfs/dbraw/zinc/49/83/28/821498328.db2.gz YKDPTQJUBCVRPQ-OAHLLOKOSA-N 1 1 383.496 4.255 20 0 GIADMO Fc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)cs2)cc1 ZINC000180858241 821498331 /nfs/dbraw/zinc/49/83/31/821498331.db2.gz YKDPTQJUBCVRPQ-OAHLLOKOSA-N 1 1 383.496 4.255 20 0 GIADMO FC(F)(F)c1ccc2oc(C[N@H+]3CCC[C@@H](c4nncn4C4CC4)C3)nc2c1 ZINC000180882989 821511240 /nfs/dbraw/zinc/51/12/40/821511240.db2.gz BPHJJPTVQPCJGA-GFCCVEGCSA-N 1 1 391.397 4.153 20 0 GIADMO N#Cc1ccccc1NC(=S)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000044072063 821514883 /nfs/dbraw/zinc/51/48/83/821514883.db2.gz FYOBMDGJLWXJEB-UHFFFAOYSA-N 1 1 384.936 4.116 20 0 GIADMO N#Cc1ccccc1NC(=S)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000044072063 821514890 /nfs/dbraw/zinc/51/48/90/821514890.db2.gz FYOBMDGJLWXJEB-UHFFFAOYSA-N 1 1 384.936 4.116 20 0 GIADMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC)c(C)c1 ZINC000180894566 821520437 /nfs/dbraw/zinc/52/04/37/821520437.db2.gz UCLSYWDLMJBNCP-QRWLVFNGSA-N 1 1 395.952 4.159 20 0 GIADMO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000044088744 821520457 /nfs/dbraw/zinc/52/04/57/821520457.db2.gz ACKGWNLEJPPOHA-GOSISDBHSA-N 1 1 399.498 4.164 20 0 GIADMO Cn1cc([C@@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c2cccc(F)c2)cn1 ZINC000180913371 821533360 /nfs/dbraw/zinc/53/33/60/821533360.db2.gz HTQUJNSCXSRNPF-MJGOQNOKSA-N 1 1 394.277 4.279 20 0 GIADMO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000180921247 821539093 /nfs/dbraw/zinc/53/90/93/821539093.db2.gz WSUUDJXQWWCDNY-AOMKIAJQSA-N 1 1 397.544 4.179 20 0 GIADMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1 ZINC000044247026 821554197 /nfs/dbraw/zinc/55/41/97/821554197.db2.gz AQXDTVUUVDCJIG-UHFFFAOYSA-N 1 1 388.600 4.473 20 0 GIADMO C[C@H](CCO)[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000180974990 821567193 /nfs/dbraw/zinc/56/71/93/821567193.db2.gz JCHCOHUEUCBYOE-CQSZACIVSA-N 1 1 381.303 4.205 20 0 GIADMO C[C@H](CCO)[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000180974990 821567202 /nfs/dbraw/zinc/56/72/02/821567202.db2.gz JCHCOHUEUCBYOE-CQSZACIVSA-N 1 1 381.303 4.205 20 0 GIADMO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Br)cc1Br ZINC000044533157 821601116 /nfs/dbraw/zinc/60/11/16/821601116.db2.gz DBSXSPWPJZWTQO-NEPJUHHUSA-N 1 1 390.163 4.204 20 0 GIADMO COc1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)ccc1OC(=O)C1CC1 ZINC000181030440 821602049 /nfs/dbraw/zinc/60/20/49/821602049.db2.gz AEVZIBQALJVEDF-JOCHJYFZSA-N 1 1 377.440 4.483 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@@H](c3cccc(Cl)c3)C3CCCC3)sc2n1 ZINC000181043811 821609264 /nfs/dbraw/zinc/60/92/64/821609264.db2.gz XSVNXYQWYCSEEB-GOSISDBHSA-N 1 1 388.924 4.134 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)c1cc(F)ccc1F ZINC000181103785 821634505 /nfs/dbraw/zinc/63/45/05/821634505.db2.gz OBVSECAGYZYUPM-YVEFUNNKSA-N 1 1 383.460 4.179 20 0 GIADMO C[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686279 821644506 /nfs/dbraw/zinc/64/45/06/821644506.db2.gz VRQWCKPDNBRCNY-CMPLNLGQSA-N 1 1 388.147 4.099 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1Br ZINC000044686279 821644509 /nfs/dbraw/zinc/64/45/09/821644509.db2.gz VRQWCKPDNBRCNY-CMPLNLGQSA-N 1 1 388.147 4.099 20 0 GIADMO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000181156759 821668475 /nfs/dbraw/zinc/66/84/75/821668475.db2.gz QLKRLONCCVHNNJ-AWEZNQCLSA-N 1 1 382.439 4.314 20 0 GIADMO Cc1cc(C)cc(OCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044878880 821676259 /nfs/dbraw/zinc/67/62/59/821676259.db2.gz KNTKJFZVWAZCNI-GOSISDBHSA-N 1 1 380.532 4.231 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)n2)ccc1F ZINC000181182991 821682936 /nfs/dbraw/zinc/68/29/36/821682936.db2.gz XQKRFKPOLFOVPE-UZLBHIALSA-N 1 1 381.451 4.442 20 0 GIADMO Clc1ccc(-n2cc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)nn2)cc1 ZINC000181191759 821687698 /nfs/dbraw/zinc/68/76/98/821687698.db2.gz PZXIKAGOVMGDTQ-IIBYNOLFSA-N 1 1 382.895 4.178 20 0 GIADMO Cc1cc2ncc([C@H](C)NCc3ccccc3C[NH+]3CCC(C)CC3)c(C)n2n1 ZINC000181202533 821693967 /nfs/dbraw/zinc/69/39/67/821693967.db2.gz NLMZRLJCYQNEDS-IBGZPJMESA-N 1 1 391.563 4.429 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(Br)c2OC)cc1OC ZINC000181261501 821722971 /nfs/dbraw/zinc/72/29/71/821722971.db2.gz KNKXQMQFBXBKKM-NSHDSACASA-N 1 1 398.272 4.465 20 0 GIADMO COc1ccc(-c2cnc(C[NH2+][C@@H](C)c3ccc(N4CCOC4=O)cc3)o2)cc1 ZINC000181270151 821726194 /nfs/dbraw/zinc/72/61/94/821726194.db2.gz WWLNTBRHQRKGBQ-HNNXBMFYSA-N 1 1 393.443 4.158 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000181273000 821726952 /nfs/dbraw/zinc/72/69/52/821726952.db2.gz DUBUTEUYVIIQIR-CQSZACIVSA-N 1 1 381.407 4.288 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2nncs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181273964 821727673 /nfs/dbraw/zinc/72/76/73/821727673.db2.gz QDSGPZQLGYYMBK-KBPBESRZSA-N 1 1 397.907 4.066 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Nc2nncs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181273964 821727676 /nfs/dbraw/zinc/72/76/76/821727676.db2.gz QDSGPZQLGYYMBK-KBPBESRZSA-N 1 1 397.907 4.066 20 0 GIADMO Cc1cnn(CCCCC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181294663 821740624 /nfs/dbraw/zinc/74/06/24/821740624.db2.gz MWCMFQSSXJTXIL-FQEVSTJZSA-N 1 1 378.524 4.027 20 0 GIADMO Cc1cnn(CCCCC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181294682 821740917 /nfs/dbraw/zinc/74/09/17/821740917.db2.gz MWCMFQSSXJTXIL-HXUWFJFHSA-N 1 1 378.524 4.027 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc(N2CCOC2=O)c1 ZINC000181306450 821746273 /nfs/dbraw/zinc/74/62/73/821746273.db2.gz NTDQACLVLIVHNF-CQSZACIVSA-N 1 1 381.407 4.288 20 0 GIADMO Cc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)c3cccnc3)[C@H](c3ccco3)C2)cc1 ZINC000181340071 821770946 /nfs/dbraw/zinc/77/09/46/821770946.db2.gz WYIYBPQGNWLOOF-UTKZUKDTSA-N 1 1 388.471 4.012 20 0 GIADMO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181341535 821772550 /nfs/dbraw/zinc/77/25/50/821772550.db2.gz BDCLCZQVTCKYGP-HNNXBMFYSA-N 1 1 379.435 4.458 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181355999 821783095 /nfs/dbraw/zinc/78/30/95/821783095.db2.gz NRIUBAJTPAPQCU-OAHLLOKOSA-N 1 1 379.435 4.458 20 0 GIADMO Cn1c(C(F)F)nn(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)c1=S ZINC000181369340 821791487 /nfs/dbraw/zinc/79/14/87/821791487.db2.gz KHKSGTSCUHFFKT-UHFFFAOYSA-N 1 1 386.899 4.454 20 0 GIADMO Cn1c(C(F)F)nn(C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)c1=S ZINC000181369340 821791491 /nfs/dbraw/zinc/79/14/91/821791491.db2.gz KHKSGTSCUHFFKT-UHFFFAOYSA-N 1 1 386.899 4.454 20 0 GIADMO CC[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000181414777 821813055 /nfs/dbraw/zinc/81/30/55/821813055.db2.gz HLPVPIOODDBLBC-ZCNNSNEGSA-N 1 1 382.495 4.097 20 0 GIADMO CC[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000181414777 821813066 /nfs/dbraw/zinc/81/30/66/821813066.db2.gz HLPVPIOODDBLBC-ZCNNSNEGSA-N 1 1 382.495 4.097 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCc2ccc(Br)cc21)c1nnnn1-c1ccccc1 ZINC000181420251 821816772 /nfs/dbraw/zinc/81/67/72/821816772.db2.gz YYEBLOHVGJPMAC-SCLBCKFNSA-N 1 1 398.308 4.153 20 0 GIADMO Cc1ccc(N2CCC(C(=O)N3CCc4ccc(C(C)(C)C)cc4C3)CC2)[nH+]c1 ZINC000181425025 821820035 /nfs/dbraw/zinc/82/00/35/821820035.db2.gz XWALABMEJMNJGW-UHFFFAOYSA-N 1 1 391.559 4.489 20 0 GIADMO COc1ccccc1[C@H]([NH2+][C@@H](C)CC(=O)N(C)c1ccccc1)c1ccco1 ZINC000181429891 821823016 /nfs/dbraw/zinc/82/30/16/821823016.db2.gz JMFSKZFUPVKKRX-SBUREZEXSA-N 1 1 378.472 4.409 20 0 GIADMO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1OC ZINC000181433298 821824554 /nfs/dbraw/zinc/82/45/54/821824554.db2.gz DYXOGXZPBMHRSF-MWTRTKDXSA-N 1 1 394.471 4.393 20 0 GIADMO C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181445879 821829542 /nfs/dbraw/zinc/82/95/42/821829542.db2.gz UNKHAXJRWFGFMI-WIYYLYMNSA-N 1 1 393.531 4.043 20 0 GIADMO CCO[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc(OC)cc2)C12CCCCC2 ZINC000181452489 821831764 /nfs/dbraw/zinc/83/17/64/821831764.db2.gz GQGJUELMKFPTDB-HBMCJLEFSA-N 1 1 383.536 4.236 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181451913 821831786 /nfs/dbraw/zinc/83/17/86/821831786.db2.gz ONRISTFWWKZFNI-HOCLYGCPSA-N 1 1 387.549 4.023 20 0 GIADMO C[C@@H](NC(=O)CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181461256 821837167 /nfs/dbraw/zinc/83/71/67/821837167.db2.gz WWSJKFIMKKBHFA-NVXWUHKLSA-N 1 1 398.469 4.287 20 0 GIADMO CC(C)c1nn(C)c2sc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc12 ZINC000181462849 821837826 /nfs/dbraw/zinc/83/78/26/821837826.db2.gz RJJLWZBITPDPNX-HUUCEWRRSA-N 1 1 388.581 4.141 20 0 GIADMO CCOc1c(Cl)cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181465274 821838687 /nfs/dbraw/zinc/83/86/87/821838687.db2.gz YSILJYOVRCGPFT-LSDHHAIUSA-N 1 1 394.943 4.130 20 0 GIADMO C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181480471 821845225 /nfs/dbraw/zinc/84/52/25/821845225.db2.gz UEECKYFHMAYCDV-NXNVCVFFSA-N 1 1 378.919 4.352 20 0 GIADMO C[C@@H]1CC[C@H](CCC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000181496916 821853721 /nfs/dbraw/zinc/85/37/21/821853721.db2.gz XQBRGIWDNQOGHV-AUUYWEPGSA-N 1 1 399.362 4.422 20 0 GIADMO CS[C@H](C)CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181497596 821854348 /nfs/dbraw/zinc/85/43/48/821854348.db2.gz IAOXBYDALGOCDY-GFCCVEGCSA-N 1 1 375.365 4.216 20 0 GIADMO C[C@@H](NC(=O)c1cccc(Br)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181540332 821873749 /nfs/dbraw/zinc/87/37/49/821873749.db2.gz WDGPUEOXOOOACC-CHWSQXEVSA-N 1 1 399.760 4.485 20 0 GIADMO C[C@@H](NC(=O)c1ccc(Br)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181544919 821875151 /nfs/dbraw/zinc/87/51/51/821875151.db2.gz QDOAAJSFEGPNHZ-CHWSQXEVSA-N 1 1 399.760 4.485 20 0 GIADMO C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)c1ccc(Cl)cc1 ZINC000181575400 821886131 /nfs/dbraw/zinc/88/61/31/821886131.db2.gz KYTUXJOMXYNXAM-MDYRTPRTSA-N 1 1 388.939 4.024 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1ccccn1 ZINC000181594867 821894951 /nfs/dbraw/zinc/89/49/51/821894951.db2.gz LQWKMKFWUFVZPL-YOEHRIQHSA-N 1 1 396.541 4.233 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)n1 ZINC000181601422 821897785 /nfs/dbraw/zinc/89/77/85/821897785.db2.gz RAUWBMWVQBCMRP-NHYWBVRUSA-N 1 1 399.438 4.418 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)C2CC2)n1 ZINC000181602325 821898314 /nfs/dbraw/zinc/89/83/14/821898314.db2.gz QOBDJFBZBJBYJH-XHDPSFHLSA-N 1 1 381.448 4.121 20 0 GIADMO Cc1csc([C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C2CC2)n1 ZINC000181603378 821899098 /nfs/dbraw/zinc/89/90/98/821899098.db2.gz XJEZYXZFUKGGLE-IBGZPJMESA-N 1 1 381.501 4.215 20 0 GIADMO C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181635940 821915568 /nfs/dbraw/zinc/91/55/68/821915568.db2.gz JHGNYKBUOBDWSO-CVEARBPZSA-N 1 1 376.491 4.156 20 0 GIADMO COc1cccc(C2(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CCCC2)c1 ZINC000181644767 821920297 /nfs/dbraw/zinc/92/02/97/821920297.db2.gz YWWJZIVOAGFDST-OALUTQOASA-N 1 1 384.564 4.276 20 0 GIADMO COc1cccc(C2(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CCCC2)c1 ZINC000181644788 821920441 /nfs/dbraw/zinc/92/04/41/821920441.db2.gz YWWJZIVOAGFDST-MOPGFXCFSA-N 1 1 384.564 4.276 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000181655164 821925456 /nfs/dbraw/zinc/92/54/56/821925456.db2.gz RXKHLKRINAKWMS-AWEZNQCLSA-N 1 1 384.411 4.017 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000181655186 821925652 /nfs/dbraw/zinc/92/56/52/821925652.db2.gz RXKHLKRINAKWMS-CQSZACIVSA-N 1 1 384.411 4.017 20 0 GIADMO C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181657506 821926699 /nfs/dbraw/zinc/92/66/99/821926699.db2.gz ZNRRXQYNIXRFHT-HZPDHXFCSA-N 1 1 378.944 4.267 20 0 GIADMO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1nc(-c2cccs2)no1 ZINC000181664485 821931229 /nfs/dbraw/zinc/93/12/29/821931229.db2.gz BFFVGJQPKKCEPG-UHFFFAOYSA-N 1 1 398.410 4.159 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(Cl)cn2)c1 ZINC000181666766 821932813 /nfs/dbraw/zinc/93/28/13/821932813.db2.gz CALBNEDTEZQDEO-UHFFFAOYSA-N 1 1 379.891 4.297 20 0 GIADMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000181682758 821942465 /nfs/dbraw/zinc/94/24/65/821942465.db2.gz BSNHJRSJZRVVNT-INIZCTEOSA-N 1 1 381.358 4.010 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000181739519 821970919 /nfs/dbraw/zinc/97/09/19/821970919.db2.gz YIHNEUHBNYETNI-NRFANRHFSA-N 1 1 398.547 4.100 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccccc1-n1cccn1 ZINC000181764518 821982398 /nfs/dbraw/zinc/98/23/98/821982398.db2.gz ZGEWJQKBFRXLHR-OAHLLOKOSA-N 1 1 379.414 4.187 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccc2c(c1)OCCO2 ZINC000181765284 821983018 /nfs/dbraw/zinc/98/30/18/821983018.db2.gz BUZQGWDUPGSLJR-GOSISDBHSA-N 1 1 385.414 4.163 20 0 GIADMO CCC[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000181785791 821991429 /nfs/dbraw/zinc/99/14/29/821991429.db2.gz XVZQXHBIOIFSBC-KRWDZBQOSA-N 1 1 375.398 4.312 20 0 GIADMO COc1cccc(C([NH2+]Cc2cnn(CC(C)C)c2)c2cccc(OC)c2)c1 ZINC000181800117 821997587 /nfs/dbraw/zinc/99/75/87/821997587.db2.gz BWLZVXPXBPYLPY-UHFFFAOYSA-N 1 1 379.504 4.436 20 0 GIADMO Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)s1 ZINC000181860459 822019025 /nfs/dbraw/zinc/01/90/25/822019025.db2.gz GLMPESZGFOAHID-OCCSQVGLSA-N 1 1 388.455 4.211 20 0 GIADMO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)n2)cc1F ZINC000181873241 822022851 /nfs/dbraw/zinc/02/28/51/822022851.db2.gz DBRICMCDFXSAAZ-GJZGRUSLSA-N 1 1 392.438 4.177 20 0 GIADMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)c3ccc4c(c3)CCCC4)nc2c1 ZINC000181929592 822038456 /nfs/dbraw/zinc/03/84/56/822038456.db2.gz GSZQCNPZWLDORM-OAHLLOKOSA-N 1 1 398.528 4.351 20 0 GIADMO CS(=O)(=O)Cc1nc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)cs1 ZINC000181941009 822041052 /nfs/dbraw/zinc/04/10/52/822041052.db2.gz DAUUOABRXGXTIO-SFHVURJKSA-N 1 1 378.563 4.099 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1cccc(F)c1F ZINC000181960238 822046962 /nfs/dbraw/zinc/04/69/62/822046962.db2.gz FKDXPXVQPFNDAP-SECBINFHSA-N 1 1 387.199 4.156 20 0 GIADMO Cc1cccc(-c2noc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)n2)c1 ZINC000181988032 822054467 /nfs/dbraw/zinc/05/44/67/822054467.db2.gz LNDJKZPGFWARTD-NRFANRHFSA-N 1 1 379.460 4.303 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(Cl)cc(Cl)n1 ZINC000182012014 822061873 /nfs/dbraw/zinc/06/18/73/822061873.db2.gz VURNPFONKWFDSC-INIZCTEOSA-N 1 1 392.330 4.373 20 0 GIADMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182025879 822066567 /nfs/dbraw/zinc/06/65/67/822066567.db2.gz KTXNUPCEMYPMKB-HNNXBMFYSA-N 1 1 380.410 4.314 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182051833 822074673 /nfs/dbraw/zinc/07/46/73/822074673.db2.gz WSAXWHGMNBMKGB-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(-n4ccnn4)cc3)co2)cc1 ZINC000182055950 822076439 /nfs/dbraw/zinc/07/64/39/822076439.db2.gz RJDXWLFYNALKGE-MRXNPFEDSA-N 1 1 389.459 4.172 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000182117283 822100954 /nfs/dbraw/zinc/10/09/54/822100954.db2.gz DYWTTZINDGTMBN-UHFFFAOYSA-N 1 1 384.307 4.036 20 0 GIADMO Fc1ccccc1-c1nc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)cs1 ZINC000182176975 822133879 /nfs/dbraw/zinc/13/38/79/822133879.db2.gz JZGQHIAHIVCFSR-OAQYLSRUSA-N 1 1 397.519 4.112 20 0 GIADMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000182201467 822144642 /nfs/dbraw/zinc/14/46/42/822144642.db2.gz FGEQXQHGMRKOBO-HNNXBMFYSA-N 1 1 383.410 4.450 20 0 GIADMO COc1ccc(Cl)cc1[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182236993 822160746 /nfs/dbraw/zinc/16/07/46/822160746.db2.gz GGWKYZJSUHTFRM-OXJNMPFZSA-N 1 1 388.939 4.156 20 0 GIADMO COc1ccc(Cl)cc1[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182236993 822160753 /nfs/dbraw/zinc/16/07/53/822160753.db2.gz GGWKYZJSUHTFRM-OXJNMPFZSA-N 1 1 388.939 4.156 20 0 GIADMO Cc1ccc([C@@H](NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2)cc1 ZINC000182258330 822173021 /nfs/dbraw/zinc/17/30/21/822173021.db2.gz NUEUEVOYZNSDSB-UIOOFZCWSA-N 1 1 386.539 4.441 20 0 GIADMO Cc1ccc([C@@H](NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc2)cc1 ZINC000182258330 822173023 /nfs/dbraw/zinc/17/30/23/822173023.db2.gz NUEUEVOYZNSDSB-UIOOFZCWSA-N 1 1 386.539 4.441 20 0 GIADMO Cc1cc2cc([C@@H](C)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)oc2cc1C ZINC000182260771 822174613 /nfs/dbraw/zinc/17/46/13/822174613.db2.gz SDCXJIGWOQACSI-GCJKJVERSA-N 1 1 378.516 4.467 20 0 GIADMO Cc1cc2cc([C@@H](C)NCc3ccccc3C[N@H+]3CC[C@H](O)C3)oc2cc1C ZINC000182260771 822174617 /nfs/dbraw/zinc/17/46/17/822174617.db2.gz SDCXJIGWOQACSI-GCJKJVERSA-N 1 1 378.516 4.467 20 0 GIADMO COc1cc(-c2nc(C[NH2+][C@@H](C)c3ccc4c(c3)OCO4)cs2)ccc1O ZINC000182296934 822191944 /nfs/dbraw/zinc/19/19/44/822191944.db2.gz RRWFLIGTQPGTFX-LBPRGKRZSA-N 1 1 384.457 4.104 20 0 GIADMO C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182379799 822222331 /nfs/dbraw/zinc/22/23/31/822222331.db2.gz SELAMVRPMVXEBQ-ZBFHGGJFSA-N 1 1 383.458 4.158 20 0 GIADMO COc1ccc([C@H](CCO)[NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)cc1 ZINC000182382355 822223191 /nfs/dbraw/zinc/22/31/91/822223191.db2.gz XWYRMQWIUISMOD-FQEVSTJZSA-N 1 1 385.895 4.056 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1cccc(-c2csc(C)n2)c1)c1c(C)noc1C ZINC000182396590 822228387 /nfs/dbraw/zinc/22/83/87/822228387.db2.gz CMAFKHGWJIQHQL-QGZVFWFLSA-N 1 1 384.505 4.403 20 0 GIADMO C[C@@H](NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182403694 822231426 /nfs/dbraw/zinc/23/14/26/822231426.db2.gz LVCOJYHTCFZUEV-ZMSDIMECSA-N 1 1 395.494 4.301 20 0 GIADMO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1Br)c1c(C)noc1C ZINC000182405149 822231904 /nfs/dbraw/zinc/23/19/04/822231904.db2.gz KFMRIIFOWKICKO-CYBMUJFWSA-N 1 1 383.286 4.312 20 0 GIADMO COc1ccc([C@H](CCO)[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000182407443 822232441 /nfs/dbraw/zinc/23/24/41/822232441.db2.gz PZGUKJKYYMFBEA-NRFANRHFSA-N 1 1 399.922 4.115 20 0 GIADMO CC(C)(CCc1ccccc1)[NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182432604 822240577 /nfs/dbraw/zinc/24/05/77/822240577.db2.gz BFVMFACCASNGBM-UHFFFAOYSA-N 1 1 380.517 4.291 20 0 GIADMO COc1cc2c(cc1NC(=O)C[NH2+][C@H](C)c1ccccn1)oc1ccccc12 ZINC000182431309 822240800 /nfs/dbraw/zinc/24/08/00/822240800.db2.gz HVUCGEQTPAWZPA-CQSZACIVSA-N 1 1 375.428 4.279 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1c(C)noc1C ZINC000182440838 822243879 /nfs/dbraw/zinc/24/38/79/822243879.db2.gz NNNBXWHJXUCUEX-MEDUHNTESA-N 1 1 399.413 4.108 20 0 GIADMO Cc1ccc(NC(=O)c2nnc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)s2)cc1 ZINC000182485243 822261593 /nfs/dbraw/zinc/26/15/93/822261593.db2.gz NLWGGYXMQIWJOD-OAQYLSRUSA-N 1 1 382.533 4.421 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)c1c(C)noc1C ZINC000182497741 822268576 /nfs/dbraw/zinc/26/85/76/822268576.db2.gz MGWCBDDTEBPAAW-CQSZACIVSA-N 1 1 380.286 4.042 20 0 GIADMO CC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1c(C)noc1C ZINC000182505175 822272848 /nfs/dbraw/zinc/27/28/48/822272848.db2.gz PETKXIJTTLRFPT-OAHLLOKOSA-N 1 1 395.297 4.456 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c(C)c1 ZINC000177994586 822274736 /nfs/dbraw/zinc/27/47/36/822274736.db2.gz CWEOHGPGUHXOMV-SFHVURJKSA-N 1 1 391.556 4.176 20 0 GIADMO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)c2)n1 ZINC000177996122 822275787 /nfs/dbraw/zinc/27/57/87/822275787.db2.gz DSNCRMLAGUREDD-UHFFFAOYSA-N 1 1 382.508 4.441 20 0 GIADMO Cc1cccc(C[NH+](CCC(=O)Nc2ccccc2F)Cc2cccc(C)n2)n1 ZINC000177999310 822276548 /nfs/dbraw/zinc/27/65/48/822276548.db2.gz QPQYPUTVBKKSNU-UHFFFAOYSA-N 1 1 392.478 4.264 20 0 GIADMO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)cc1CN1CCCCC1 ZINC000182537940 822289721 /nfs/dbraw/zinc/28/97/21/822289721.db2.gz XOUKEQKAWROMNB-PGRDOPGGSA-N 1 1 398.547 4.074 20 0 GIADMO COc1cc(-c2nc(C[NH2+][C@@H](C)c3cccc(NC(C)=O)c3)cs2)ccc1O ZINC000182547449 822295463 /nfs/dbraw/zinc/29/54/63/822295463.db2.gz BZONFORPQTWLQG-ZDUSSCGKSA-N 1 1 397.500 4.334 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000182554360 822299879 /nfs/dbraw/zinc/29/98/79/822299879.db2.gz NMCQUTYYQMUMQM-OAHLLOKOSA-N 1 1 390.553 4.220 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1)c1ccccc1 ZINC000178052804 822302127 /nfs/dbraw/zinc/30/21/27/822302127.db2.gz QTMRXLCPMBEZLE-KRWDZBQOSA-N 1 1 393.462 4.123 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1)c1ccccc1 ZINC000178052804 822302136 /nfs/dbraw/zinc/30/21/36/822302136.db2.gz QTMRXLCPMBEZLE-KRWDZBQOSA-N 1 1 393.462 4.123 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1)c1ccccc1 ZINC000178057394 822304602 /nfs/dbraw/zinc/30/46/02/822304602.db2.gz NCWGKCBSDUHQAW-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1)c1ccccc1 ZINC000178057394 822304613 /nfs/dbraw/zinc/30/46/13/822304613.db2.gz NCWGKCBSDUHQAW-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000182656573 822340775 /nfs/dbraw/zinc/34/07/75/822340775.db2.gz YLQKAGABDGQNBK-YQVWRLOYSA-N 1 1 396.535 4.355 20 0 GIADMO O=C(NCc1ccc(Oc2ccccc2)nc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178177259 822343151 /nfs/dbraw/zinc/34/31/51/822343151.db2.gz CYZBBZSNXRIEKD-IBGZPJMESA-N 1 1 379.504 4.145 20 0 GIADMO Cc1cc(N2CCC(NC(=O)C3CCC(c4ccccc4)CC3)CC2)nc(C)[nH+]1 ZINC000178183680 822345495 /nfs/dbraw/zinc/34/54/95/822345495.db2.gz ANSWOLSCZVSHFG-UHFFFAOYSA-N 1 1 392.547 4.152 20 0 GIADMO CCC(CC)c1cc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)on1 ZINC000182671029 822346248 /nfs/dbraw/zinc/34/62/48/822346248.db2.gz PRYDPXQRWSPMLC-NVXWUHKLSA-N 1 1 376.545 4.030 20 0 GIADMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2ccc(Br)cc2)n1 ZINC000178201960 822350980 /nfs/dbraw/zinc/35/09/80/822350980.db2.gz MLSQGIIDUMNJCQ-XYPWUTKMSA-N 1 1 379.323 4.060 20 0 GIADMO NC(=O)Nc1cccc(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000182714117 822357121 /nfs/dbraw/zinc/35/71/21/822357121.db2.gz QNZRSUGEDNTNER-UHFFFAOYSA-N 1 1 376.863 4.046 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000178256449 822359650 /nfs/dbraw/zinc/35/96/50/822359650.db2.gz YOTLFNYAORRPDM-IYBDPMFKSA-N 1 1 398.469 4.057 20 0 GIADMO Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1OC1CCOCC1 ZINC000178265225 822360934 /nfs/dbraw/zinc/36/09/34/822360934.db2.gz VILZXRCDTICYEY-SFHVURJKSA-N 1 1 386.536 4.146 20 0 GIADMO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)c2ccco2)cc1 ZINC000453427039 822361677 /nfs/dbraw/zinc/36/16/77/822361677.db2.gz ZHPOZSMZHRYPBF-OSPHWJPCSA-N 1 1 392.499 4.407 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000182756777 822362917 /nfs/dbraw/zinc/36/29/17/822362917.db2.gz NGAAKEZAOUPWMV-VQTJNVASSA-N 1 1 389.588 4.021 20 0 GIADMO O=C(CC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1)N1CCCC1 ZINC000178302939 822365215 /nfs/dbraw/zinc/36/52/15/822365215.db2.gz SWDGKFFGEAMFDI-UHFFFAOYSA-N 1 1 395.425 4.071 20 0 GIADMO OC1CC[NH+](Cc2ccccc2CN[C@H]2CCSc3c(F)cccc32)CC1 ZINC000178306929 822365623 /nfs/dbraw/zinc/36/56/23/822365623.db2.gz DSHOFFTYIPXTRS-NRFANRHFSA-N 1 1 386.536 4.109 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182781987 822366623 /nfs/dbraw/zinc/36/66/23/822366623.db2.gz HJBDJTRNJLHHLA-PZJWPPBQSA-N 1 1 398.595 4.129 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182803244 822369988 /nfs/dbraw/zinc/36/99/88/822369988.db2.gz CWFYYASDLRGXEV-HOCLYGCPSA-N 1 1 394.441 4.128 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182803244 822369989 /nfs/dbraw/zinc/36/99/89/822369989.db2.gz CWFYYASDLRGXEV-HOCLYGCPSA-N 1 1 394.441 4.128 20 0 GIADMO CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000453469016 822371216 /nfs/dbraw/zinc/37/12/16/822371216.db2.gz UPKSKMLBLFRNJT-HBFSDRIKSA-N 1 1 389.588 4.019 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1c(F)cc(Cl)cc1F ZINC000182826247 822373893 /nfs/dbraw/zinc/37/38/93/822373893.db2.gz NRUSZJGENVQVKC-OAHLLOKOSA-N 1 1 393.865 4.304 20 0 GIADMO C[C@@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182840399 822376535 /nfs/dbraw/zinc/37/65/35/822376535.db2.gz ZWCJQNMQOVFVSV-ZIAGYGMSSA-N 1 1 385.430 4.360 20 0 GIADMO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178415464 822377243 /nfs/dbraw/zinc/37/72/43/822377243.db2.gz NUENQGSCQZHHDO-MUUNZHRXSA-N 1 1 392.524 4.308 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178415464 822377247 /nfs/dbraw/zinc/37/72/47/822377247.db2.gz NUENQGSCQZHHDO-MUUNZHRXSA-N 1 1 392.524 4.308 20 0 GIADMO C[C@H](NC(=O)NC(C)(C)c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182847645 822377918 /nfs/dbraw/zinc/37/79/18/822377918.db2.gz TURWMVOWFIAKCQ-LSDHHAIUSA-N 1 1 379.495 4.152 20 0 GIADMO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178430274 822378412 /nfs/dbraw/zinc/37/84/12/822378412.db2.gz PMTADHMGVTXNDB-BLLLJJGKSA-N 1 1 399.869 4.422 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)C2)n1 ZINC000182857372 822380039 /nfs/dbraw/zinc/38/00/39/822380039.db2.gz GIPBYXCGPAEAMD-AWEZNQCLSA-N 1 1 383.805 4.040 20 0 GIADMO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)C2)n1 ZINC000182857372 822380042 /nfs/dbraw/zinc/38/00/42/822380042.db2.gz GIPBYXCGPAEAMD-AWEZNQCLSA-N 1 1 383.805 4.040 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1C ZINC000182857862 822380112 /nfs/dbraw/zinc/38/01/12/822380112.db2.gz OFUYZQRMVSYRCL-HOTGVXAUSA-N 1 1 394.441 4.183 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1C ZINC000182857862 822380115 /nfs/dbraw/zinc/38/01/15/822380115.db2.gz OFUYZQRMVSYRCL-HOTGVXAUSA-N 1 1 394.441 4.183 20 0 GIADMO C[C@@H](NC(=O)N1CCC(COc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182861095 822381003 /nfs/dbraw/zinc/38/10/03/822381003.db2.gz UGNYHXRYJTVCHE-TZIWHRDSSA-N 1 1 399.579 4.140 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)C1 ZINC000178462342 822381499 /nfs/dbraw/zinc/38/14/99/822381499.db2.gz HPYRPAANTIURKG-MRXNPFEDSA-N 1 1 397.523 4.104 20 0 GIADMO CC(C)[C@@H](CC[N@H+](C)Cc1nnc(-c2ccccc2)o1)NC(=O)OC(C)(C)C ZINC000178466582 822381845 /nfs/dbraw/zinc/38/18/45/822381845.db2.gz FGFQISSYSREPLN-QGZVFWFLSA-N 1 1 388.512 4.108 20 0 GIADMO CC(C)[C@@H](CC[N@@H+](C)Cc1nnc(-c2ccccc2)o1)NC(=O)OC(C)(C)C ZINC000178466582 822381850 /nfs/dbraw/zinc/38/18/50/822381850.db2.gz FGFQISSYSREPLN-QGZVFWFLSA-N 1 1 388.512 4.108 20 0 GIADMO OCc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000182867508 822382440 /nfs/dbraw/zinc/38/24/40/822382440.db2.gz LZXMXFKAYKCZLV-GOSISDBHSA-N 1 1 383.879 4.262 20 0 GIADMO CC(C)(C)c1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000182879321 822384923 /nfs/dbraw/zinc/38/49/23/822384923.db2.gz VHHCSJVBEPHSGZ-FQEVSTJZSA-N 1 1 395.547 4.263 20 0 GIADMO COc1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c2cccnc12 ZINC000182889312 822386901 /nfs/dbraw/zinc/38/69/01/822386901.db2.gz QJNMEGIOISTVLS-CVEARBPZSA-N 1 1 382.508 4.018 20 0 GIADMO C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182897996 822388460 /nfs/dbraw/zinc/38/84/60/822388460.db2.gz FDHYSOHQSYOVJK-GJZGRUSLSA-N 1 1 386.927 4.113 20 0 GIADMO Cc1cc(Br)c(CNCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000453584048 822388622 /nfs/dbraw/zinc/38/86/22/822388622.db2.gz GVVNUDXAOOKZRZ-UHFFFAOYSA-N 1 1 383.355 4.049 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899875 822388847 /nfs/dbraw/zinc/38/88/47/822388847.db2.gz ACYHLWFNXMHHRR-QWHCGFSZSA-N 1 1 380.876 4.023 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000178533993 822388943 /nfs/dbraw/zinc/38/89/43/822388943.db2.gz AHLNGZKAJITZPQ-UHFFFAOYSA-N 1 1 383.492 4.025 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178536560 822389165 /nfs/dbraw/zinc/38/91/65/822389165.db2.gz NIUHGDQJUHLUFL-NVXWUHKLSA-N 1 1 389.952 4.328 20 0 GIADMO CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000182911049 822391411 /nfs/dbraw/zinc/39/14/11/822391411.db2.gz NRMNXXXZBRQNOU-WBBLPQCNSA-N 1 1 399.535 4.037 20 0 GIADMO COC(=O)c1ccc(C[NH2+]Cc2sc(C)cc2Br)nc1C1CC1 ZINC000453604631 822391740 /nfs/dbraw/zinc/39/17/40/822391740.db2.gz VQZOGDWWRXYEDL-UHFFFAOYSA-N 1 1 395.322 4.168 20 0 GIADMO CCOc1ccc(OCC)c(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182914918 822391792 /nfs/dbraw/zinc/39/17/92/822391792.db2.gz QBDMYRKGVCFWFC-IRXDYDNUSA-N 1 1 389.540 4.259 20 0 GIADMO CC(C)Oc1cccc(CN(C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182916940 822392265 /nfs/dbraw/zinc/39/22/65/822392265.db2.gz UWODIVLCIVKFFL-ICSRJNTNSA-N 1 1 387.568 4.268 20 0 GIADMO C[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182924499 822393713 /nfs/dbraw/zinc/39/37/13/822393713.db2.gz ZVAYHUVHBRVLHN-HZPDHXFCSA-N 1 1 386.565 4.091 20 0 GIADMO Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2)n1 ZINC000182926046 822394113 /nfs/dbraw/zinc/39/41/13/822394113.db2.gz DGUWRVZSLIIRKX-RBUKOAKNSA-N 1 1 395.551 4.264 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)CC3CCC(C(F)(F)F)CC3)sc2C1 ZINC000182927207 822394418 /nfs/dbraw/zinc/39/44/18/822394418.db2.gz NXNVGXOWRSCKAE-UHFFFAOYSA-N 1 1 375.460 4.218 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)CC3CCC(C(F)(F)F)CC3)sc2C1 ZINC000182927207 822394422 /nfs/dbraw/zinc/39/44/22/822394422.db2.gz NXNVGXOWRSCKAE-UHFFFAOYSA-N 1 1 375.460 4.218 20 0 GIADMO C[C@@H](NC(=O)N(Cc1ccccc1)CC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182934669 822395720 /nfs/dbraw/zinc/39/57/20/822395720.db2.gz CDHDWKDSCBLHOK-SJLPKXTDSA-N 1 1 379.495 4.116 20 0 GIADMO Cc1cc(C)cc([C@H](C)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000182942781 822397404 /nfs/dbraw/zinc/39/74/04/822397404.db2.gz YLARHVZMEHJMPJ-AWEZNQCLSA-N 1 1 375.398 4.149 20 0 GIADMO COc1cc(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)ccc1O ZINC000045613075 822400424 /nfs/dbraw/zinc/40/04/24/822400424.db2.gz ZISYRTINLPFFFY-UHFFFAOYSA-N 1 1 394.475 4.091 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)N3CCCC3)cc2)c(OC)c1 ZINC000045681486 822405163 /nfs/dbraw/zinc/40/51/63/822405163.db2.gz SEIXZQQJSDHMBP-JOCHJYFZSA-N 1 1 394.515 4.277 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)[C@H](C)C1 ZINC000182987572 822405781 /nfs/dbraw/zinc/40/57/81/822405781.db2.gz QBDQLWNUBAMHIM-PXAZEXFGSA-N 1 1 393.503 4.199 20 0 GIADMO FC(F)Sc1ccc(NC(=S)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000045694041 822405809 /nfs/dbraw/zinc/40/58/09/822405809.db2.gz UGHZCNGEHMQNGV-UHFFFAOYSA-N 1 1 393.528 4.346 20 0 GIADMO Cc1cc([C@H](C)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c(C)s1 ZINC000182990284 822406614 /nfs/dbraw/zinc/40/66/14/822406614.db2.gz PPRVDZKZJMWCAV-NSHDSACASA-N 1 1 381.427 4.210 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182993987 822407336 /nfs/dbraw/zinc/40/73/36/822407336.db2.gz XTEYZYKRWTWTSE-MGPUTAFESA-N 1 1 396.547 4.469 20 0 GIADMO FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000182993987 822407342 /nfs/dbraw/zinc/40/73/42/822407342.db2.gz XTEYZYKRWTWTSE-MGPUTAFESA-N 1 1 396.547 4.469 20 0 GIADMO Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[N@@H+](C)C[C@H]2CCOC2)cc1 ZINC000178764651 822408060 /nfs/dbraw/zinc/40/80/60/822408060.db2.gz UJTJYCKDSZZEPQ-MRXNPFEDSA-N 1 1 388.895 4.348 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000183010913 822410854 /nfs/dbraw/zinc/41/08/54/822410854.db2.gz HWMFCNXYQDOSDA-GCJKJVERSA-N 1 1 380.536 4.215 20 0 GIADMO COc1ccc(CN(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000045786627 822413497 /nfs/dbraw/zinc/41/34/97/822413497.db2.gz MZWBIBUFQHOZBV-LJQANCHMSA-N 1 1 395.547 4.269 20 0 GIADMO Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)on1 ZINC000045788595 822413682 /nfs/dbraw/zinc/41/36/82/822413682.db2.gz SMRXNHIPVNTFII-LAUBAEHRSA-N 1 1 396.535 4.262 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCc2cscn2)c1 ZINC000183044020 822416712 /nfs/dbraw/zinc/41/67/12/822416712.db2.gz HMHGRQHASKWXMV-VGSWGCGISA-N 1 1 394.544 4.440 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)NCC2CCCCCC2)c1 ZINC000453881722 822418254 /nfs/dbraw/zinc/41/82/54/822418254.db2.gz POGZMHDCYAUEFD-UHFFFAOYSA-N 1 1 396.535 4.080 20 0 GIADMO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2ncnn2CC(C)C)cc1 ZINC000183103223 822424714 /nfs/dbraw/zinc/42/47/14/822424714.db2.gz RXCGFXZMWMUUFB-OAQYLSRUSA-N 1 1 382.483 4.155 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000178984555 822426495 /nfs/dbraw/zinc/42/64/95/822426495.db2.gz HBAZKZNIFKOFRV-UHFFFAOYSA-N 1 1 392.446 4.374 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000178984555 822426497 /nfs/dbraw/zinc/42/64/97/822426497.db2.gz HBAZKZNIFKOFRV-UHFFFAOYSA-N 1 1 392.446 4.374 20 0 GIADMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1Br)c1ccccc1 ZINC000183120705 822427141 /nfs/dbraw/zinc/42/71/41/822427141.db2.gz SWPPMDJSYBKRJG-IIBYNOLFSA-N 1 1 386.742 4.312 20 0 GIADMO CC(=O)Nc1cccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183128987 822428160 /nfs/dbraw/zinc/42/81/60/822428160.db2.gz RXMHNGBTBABSCG-OEMFJLHTSA-N 1 1 377.532 4.035 20 0 GIADMO CC(=O)Nc1cccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183128987 822428162 /nfs/dbraw/zinc/42/81/62/822428162.db2.gz RXMHNGBTBABSCG-OEMFJLHTSA-N 1 1 377.532 4.035 20 0 GIADMO Fc1cc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c2c(c1)COCO2 ZINC000179008630 822429466 /nfs/dbraw/zinc/42/94/66/822429466.db2.gz NYXGXCDQJPKSRN-UHFFFAOYSA-N 1 1 377.843 4.389 20 0 GIADMO Cc1cccc([C@@H](C)NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c1 ZINC000454113143 822430638 /nfs/dbraw/zinc/43/06/38/822430638.db2.gz XMZDSPDFAJZNFQ-MSOLQXFVSA-N 1 1 393.531 4.171 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NCc2nc([C@H](C)OCC(C)C)no2)cc1 ZINC000183148733 822431415 /nfs/dbraw/zinc/43/14/15/822431415.db2.gz VTRLZDUPKYGRDW-HOTGVXAUSA-N 1 1 383.496 4.148 20 0 GIADMO CN(C)c1cccc(C[NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)n1 ZINC000179032872 822431854 /nfs/dbraw/zinc/43/18/54/822431854.db2.gz IADHJTNLJCDZFD-UHFFFAOYSA-N 1 1 394.906 4.343 20 0 GIADMO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000179049827 822433438 /nfs/dbraw/zinc/43/34/38/822433438.db2.gz QPCUWLZRFFKPTG-MRXNPFEDSA-N 1 1 389.590 4.314 20 0 GIADMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000179049827 822433439 /nfs/dbraw/zinc/43/34/39/822433439.db2.gz QPCUWLZRFFKPTG-MRXNPFEDSA-N 1 1 389.590 4.314 20 0 GIADMO FC(F)(F)c1ccn(C2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)n1 ZINC000183170714 822435016 /nfs/dbraw/zinc/43/50/16/822435016.db2.gz ZJDFCVIDRLCZFR-UHFFFAOYSA-N 1 1 383.805 4.040 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cccc(C)c3Cl)CC2)cs1 ZINC000179071952 822435456 /nfs/dbraw/zinc/43/54/56/822435456.db2.gz KZSVOAIMXPDNAQ-UHFFFAOYSA-N 1 1 391.968 4.309 20 0 GIADMO C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000183172689 822435553 /nfs/dbraw/zinc/43/55/53/822435553.db2.gz GEXFGGCNAOGWCY-JFLLNLJESA-N 1 1 399.343 4.030 20 0 GIADMO Cc1sc2nc([C@H](C)[NH2+][C@H](C)c3ccccc3-n3cccn3)nc(N)c2c1C ZINC000183176751 822436040 /nfs/dbraw/zinc/43/60/40/822436040.db2.gz LKPYCQDNZGQEBL-KGLIPLIRSA-N 1 1 392.532 4.488 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000046060711 822438516 /nfs/dbraw/zinc/43/85/16/822438516.db2.gz VVHLBFROWYQSBH-UPVQGACJSA-N 1 1 394.515 4.199 20 0 GIADMO CC(C)c1ccc(NC(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000183192465 822438861 /nfs/dbraw/zinc/43/88/61/822438861.db2.gz VCNDBARJMWFXNE-UHFFFAOYSA-N 1 1 394.441 4.301 20 0 GIADMO CCNc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000183192490 822438969 /nfs/dbraw/zinc/43/89/69/822438969.db2.gz OVTIMRAWYUHDHH-UHFFFAOYSA-N 1 1 392.956 4.387 20 0 GIADMO O=C(c1nc2cc(Cl)ccc2s1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000454208245 822439152 /nfs/dbraw/zinc/43/91/52/822439152.db2.gz LWMXWDOSPGZNPP-WBMJQRKESA-N 1 1 375.925 4.039 20 0 GIADMO C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1)c1ccccc1 ZINC000179117533 822440129 /nfs/dbraw/zinc/44/01/29/822440129.db2.gz XAZKDSCYBANSHC-GDBMZVCRSA-N 1 1 397.466 4.171 20 0 GIADMO C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1csc2ccccc12 ZINC000046089556 822440722 /nfs/dbraw/zinc/44/07/22/822440722.db2.gz ASIUYJRDGLMKGI-UHFFFAOYSA-N 1 1 393.512 4.099 20 0 GIADMO C[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1csc2ccccc12 ZINC000046089556 822440723 /nfs/dbraw/zinc/44/07/23/822440723.db2.gz ASIUYJRDGLMKGI-UHFFFAOYSA-N 1 1 393.512 4.099 20 0 GIADMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000183211594 822442299 /nfs/dbraw/zinc/44/22/99/822442299.db2.gz PASFKTZVKTVNLM-LSDHHAIUSA-N 1 1 390.936 4.132 20 0 GIADMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1 ZINC000183211594 822442305 /nfs/dbraw/zinc/44/23/05/822442305.db2.gz PASFKTZVKTVNLM-LSDHHAIUSA-N 1 1 390.936 4.132 20 0 GIADMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)Cc3ccccc3O)cc2)C1 ZINC000046123581 822442526 /nfs/dbraw/zinc/44/25/26/822442526.db2.gz XFTYOPAYEBCXDZ-KDURUIRLSA-N 1 1 395.547 4.212 20 0 GIADMO Cc1noc(C)c1CN(C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000046123886 822442701 /nfs/dbraw/zinc/44/27/01/822442701.db2.gz FHLGEXOWKAANTL-CALCHBBNSA-N 1 1 398.551 4.111 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000179144673 822443116 /nfs/dbraw/zinc/44/31/16/822443116.db2.gz QAVIVJJNQFXYIS-MRXNPFEDSA-N 1 1 394.943 4.211 20 0 GIADMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1nc2cc(Cl)ccc2s1 ZINC000454248703 822443287 /nfs/dbraw/zinc/44/32/87/822443287.db2.gz VTNXFFKKJIAPAR-UHFFFAOYSA-N 1 1 377.897 4.137 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1cncc(Br)c1)c1ccc(F)cc1 ZINC000179161473 822445797 /nfs/dbraw/zinc/44/57/97/822445797.db2.gz WAYMSCFJYKDXQX-ROUUACIJSA-N 1 1 379.273 4.071 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1cncc(Br)c1)c1ccc(F)cc1 ZINC000179161473 822445799 /nfs/dbraw/zinc/44/57/99/822445799.db2.gz WAYMSCFJYKDXQX-ROUUACIJSA-N 1 1 379.273 4.071 20 0 GIADMO CCO[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC000454276074 822448594 /nfs/dbraw/zinc/44/85/94/822448594.db2.gz XHLYYRCERRRQMN-WOIUINJBSA-N 1 1 387.568 4.018 20 0 GIADMO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000179191394 822449138 /nfs/dbraw/zinc/44/91/38/822449138.db2.gz IBIAODITYHQDFD-JTSKRJEESA-N 1 1 395.934 4.491 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)c3ccccc3F)CC[N@H+]2C2CC2)c1 ZINC000183261475 822450029 /nfs/dbraw/zinc/45/00/29/822450029.db2.gz VMNOMBZXZOMQLD-UZQPLGKSSA-N 1 1 382.479 4.032 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NCc2csc(-c3ccccc3)n2)[C@@H]1c1ccccc1 ZINC000179202047 822450229 /nfs/dbraw/zinc/45/02/29/822450229.db2.gz NXWXKBGRZVMGMP-PMACEKPBSA-N 1 1 392.528 4.055 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)s1)c1ccc(N2CCOC2=O)cc1 ZINC000179214109 822452343 /nfs/dbraw/zinc/45/23/43/822452343.db2.gz QCVJEGFXVNYJOY-MNOVXSKESA-N 1 1 396.310 4.274 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)/C=C/SCc3ccco3)CC[N@H+]2C2CC2)c1 ZINC000183277017 822452663 /nfs/dbraw/zinc/45/26/63/822452663.db2.gz BSZROMOGMHFGNK-ZIBAAHCBSA-N 1 1 398.528 4.129 20 0 GIADMO COc1cccc([C@H](CN[C@H](c2ccccc2)c2ccc(F)cn2)[NH+](C)C)c1 ZINC000183281133 822452975 /nfs/dbraw/zinc/45/29/75/822452975.db2.gz LHPKFZLVFFQADU-XZOQPEGZSA-N 1 1 379.479 4.211 20 0 GIADMO CCOc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1OC ZINC000454299283 822454138 /nfs/dbraw/zinc/45/41/38/822454138.db2.gz ZRUMRSDQJVDHHD-GOSISDBHSA-N 1 1 397.519 4.080 20 0 GIADMO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H](C)c2ncc(Br)s2)cc1 ZINC000179231621 822454466 /nfs/dbraw/zinc/45/44/66/822454466.db2.gz SWAWIHLNPZNHDY-RISCZKNCSA-N 1 1 385.327 4.077 20 0 GIADMO C[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ncc(Br)s1 ZINC000179230897 822454484 /nfs/dbraw/zinc/45/44/84/822454484.db2.gz NDWOLUNNCFHSJP-BXKDBHETSA-N 1 1 390.297 4.137 20 0 GIADMO CC[C@@H](C)n1ncc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C1CC1 ZINC000179233570 822454971 /nfs/dbraw/zinc/45/49/71/822454971.db2.gz HBHZAEOEGRNDHH-AUUYWEPGSA-N 1 1 388.943 4.418 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2ncc(Br)s2)c2ccccc2n1 ZINC000179234637 822455088 /nfs/dbraw/zinc/45/50/88/822455088.db2.gz CQWXVJBAHDETBO-JTQLQIEISA-N 1 1 378.295 4.313 20 0 GIADMO C[C@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ncc(Br)s1 ZINC000179236622 822455559 /nfs/dbraw/zinc/45/55/59/822455559.db2.gz WWOZPSUZJFFYML-KBPBESRZSA-N 1 1 382.371 4.467 20 0 GIADMO CCc1noc(C)c1CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000454361573 822461909 /nfs/dbraw/zinc/46/19/09/822461909.db2.gz KXKSOFKYYOTUCJ-UHFFFAOYSA-N 1 1 398.551 4.309 20 0 GIADMO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000183348430 822462017 /nfs/dbraw/zinc/46/20/17/822462017.db2.gz GBQMRSDEYDIDQR-OAHLLOKOSA-N 1 1 397.416 4.041 20 0 GIADMO CO[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC000454364349 822462531 /nfs/dbraw/zinc/46/25/31/822462531.db2.gz MRKGKCVCRBEMHF-GCJKJVERSA-N 1 1 387.568 4.018 20 0 GIADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000046341944 822463317 /nfs/dbraw/zinc/46/33/17/822463317.db2.gz KQEZTCQEFAWAKN-ROUUACIJSA-N 1 1 391.515 4.348 20 0 GIADMO C[C@H](NC(=O)c1ccccc1NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183361845 822463814 /nfs/dbraw/zinc/46/38/14/822463814.db2.gz BCEXVFHXOUDVSX-AZUAARDMSA-N 1 1 392.547 4.077 20 0 GIADMO CC[NH+](CC)Cc1cc([C@@H](C)NCc2cn(C)nc2C(F)(F)F)ccc1OC ZINC000183371152 822465070 /nfs/dbraw/zinc/46/50/70/822465070.db2.gz ZVFOQVAKSJGRNU-CQSZACIVSA-N 1 1 398.473 4.140 20 0 GIADMO C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000179324290 822466114 /nfs/dbraw/zinc/46/61/14/822466114.db2.gz BLSSKKNWAAIUTH-PGRDOPGGSA-N 1 1 392.499 4.154 20 0 GIADMO CCOc1ccc([C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c2cccc(Cl)c2)cc1 ZINC000183381194 822466351 /nfs/dbraw/zinc/46/63/51/822466351.db2.gz YMQKPADYJKBJSF-QRWLVFNGSA-N 1 1 395.952 4.241 20 0 GIADMO Cc1ccc(Br)c(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000179352695 822469846 /nfs/dbraw/zinc/46/98/46/822469846.db2.gz DAFWANYZOWOZMX-UHFFFAOYSA-N 1 1 380.330 4.240 20 0 GIADMO Cc1cnc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000179363701 822471827 /nfs/dbraw/zinc/47/18/27/822471827.db2.gz ZZIYMRNZWNRQMG-SWLSCSKDSA-N 1 1 382.892 4.059 20 0 GIADMO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1Cl ZINC000179378753 822473728 /nfs/dbraw/zinc/47/37/28/822473728.db2.gz OVIQHKWJBAPERJ-UHFFFAOYSA-N 1 1 391.874 4.274 20 0 GIADMO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(F)c1 ZINC000183448540 822476532 /nfs/dbraw/zinc/47/65/32/822476532.db2.gz MTXQQFRUOVIOFQ-JKSUJKDBSA-N 1 1 377.504 4.387 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000183449341 822476603 /nfs/dbraw/zinc/47/66/03/822476603.db2.gz NWAZBEQAQJDWFH-FYYLOGMGSA-N 1 1 391.515 4.041 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000179422373 822480142 /nfs/dbraw/zinc/48/01/42/822480142.db2.gz UCDKWMGIBPQIPQ-NVXWUHKLSA-N 1 1 397.828 4.237 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000179422373 822480143 /nfs/dbraw/zinc/48/01/43/822480143.db2.gz UCDKWMGIBPQIPQ-NVXWUHKLSA-N 1 1 397.828 4.237 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(F)c(OC(C)(C)C)c(F)c3)CC[C@H]21 ZINC000183479583 822482369 /nfs/dbraw/zinc/48/23/69/822482369.db2.gz KDZXPPGHGMBLOH-SUMWQHHRSA-N 1 1 381.467 4.090 20 0 GIADMO CC[C@H](NC(=O)C[NH2+][C@@H](c1nc(C)cs1)C1CC1)c1ccc(Cl)cc1 ZINC000183488831 822484225 /nfs/dbraw/zinc/48/42/25/822484225.db2.gz QGPGVFMYLNMIKG-FUHWJXTLSA-N 1 1 377.941 4.413 20 0 GIADMO O=C(Nc1ccc2c3c(cccc31)CC2)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000179450232 822485021 /nfs/dbraw/zinc/48/50/21/822485021.db2.gz HUXDZEUMJLWLPI-DEOSSOPVSA-N 1 1 386.495 4.075 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1OC ZINC000183494736 822485493 /nfs/dbraw/zinc/48/54/93/822485493.db2.gz LVVVTJRDYDUSDY-OYHNWAKOSA-N 1 1 388.483 4.007 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1OC ZINC000183494772 822485527 /nfs/dbraw/zinc/48/55/27/822485527.db2.gz LVVVTJRDYDUSDY-IVZQSRNASA-N 1 1 388.483 4.007 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(-c3nccs3)cc2)[C@@H]1c1ccccc1 ZINC000179463253 822486399 /nfs/dbraw/zinc/48/63/99/822486399.db2.gz SGFXYDXNYNFYDV-OALUTQOASA-N 1 1 378.501 4.377 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(F)cc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183499820 822486494 /nfs/dbraw/zinc/48/64/94/822486494.db2.gz GZTJDKBUBZGNFH-QWHCGFSZSA-N 1 1 385.430 4.202 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2N2CCCCC2)[C@@H]1c1ccccc1 ZINC000179470742 822487510 /nfs/dbraw/zinc/48/75/10/822487510.db2.gz MEISIARJMCYICE-IRLDBZIGSA-N 1 1 378.520 4.244 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183512033 822488015 /nfs/dbraw/zinc/48/80/15/822488015.db2.gz PABDBXSPIVRFGG-MEDUHNTESA-N 1 1 379.913 4.181 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C2CC2)n1 ZINC000183521356 822489277 /nfs/dbraw/zinc/48/92/77/822489277.db2.gz AAIHGBFQQPUTJH-YVEFUNNKSA-N 1 1 395.931 4.332 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)C1CC1 ZINC000454524115 822491173 /nfs/dbraw/zinc/49/11/73/822491173.db2.gz PNESNIYZWPTPHC-UHFFFAOYSA-N 1 1 398.482 4.074 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)C2CC2)n1 ZINC000183533980 822491271 /nfs/dbraw/zinc/49/12/71/822491271.db2.gz HMGFGPHMFGAQGO-WBVHZDCISA-N 1 1 375.925 4.341 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000179497569 822491367 /nfs/dbraw/zinc/49/13/67/822491367.db2.gz AJXUSCBWFVWOHR-RTWAWAEBSA-N 1 1 379.504 4.356 20 0 GIADMO FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000179498872 822491870 /nfs/dbraw/zinc/49/18/70/822491870.db2.gz LXHZLUMSHFPQHW-OAHLLOKOSA-N 1 1 380.414 4.003 20 0 GIADMO FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179498872 822491871 /nfs/dbraw/zinc/49/18/71/822491871.db2.gz LXHZLUMSHFPQHW-OAHLLOKOSA-N 1 1 380.414 4.003 20 0 GIADMO FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000179498872 822491872 /nfs/dbraw/zinc/49/18/72/822491872.db2.gz LXHZLUMSHFPQHW-OAHLLOKOSA-N 1 1 380.414 4.003 20 0 GIADMO CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183544340 822492649 /nfs/dbraw/zinc/49/26/49/822492649.db2.gz GXHTZFKDVQJIBJ-PXNSSMCTSA-N 1 1 387.549 4.158 20 0 GIADMO Cc1csc([C@H]([NH2+]CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C2CC2)n1 ZINC000183543591 822492655 /nfs/dbraw/zinc/49/26/55/822492655.db2.gz QRASCBGOXSZXEJ-LJQANCHMSA-N 1 1 389.540 4.459 20 0 GIADMO c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179513098 822494155 /nfs/dbraw/zinc/49/41/55/822494155.db2.gz KAVJUHAPTZLUOU-GOSISDBHSA-N 1 1 375.476 4.249 20 0 GIADMO c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179513098 822494156 /nfs/dbraw/zinc/49/41/56/822494156.db2.gz KAVJUHAPTZLUOU-GOSISDBHSA-N 1 1 375.476 4.249 20 0 GIADMO c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179513098 822494159 /nfs/dbraw/zinc/49/41/59/822494159.db2.gz KAVJUHAPTZLUOU-GOSISDBHSA-N 1 1 375.476 4.249 20 0 GIADMO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183553530 822494189 /nfs/dbraw/zinc/49/41/89/822494189.db2.gz LFIVCQYSRZFNMB-YVEFUNNKSA-N 1 1 397.500 4.468 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183556997 822494434 /nfs/dbraw/zinc/49/44/34/822494434.db2.gz WFNFUSFIPFPDPR-MAUKXSAKSA-N 1 1 375.563 4.090 20 0 GIADMO CCn1nc(C)c(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C ZINC000179522960 822496607 /nfs/dbraw/zinc/49/66/07/822496607.db2.gz WUFZBCJRRJFVMN-UZLBHIALSA-N 1 1 383.540 4.037 20 0 GIADMO Clc1ccc(-n2cc(C[NH2+]Cc3ccccc3-n3cccn3)nn2)cc1Cl ZINC000183582056 822497613 /nfs/dbraw/zinc/49/76/13/822497613.db2.gz YOVRSDAXNKFUCV-UHFFFAOYSA-N 1 1 399.285 4.050 20 0 GIADMO Cc1cc(Sc2ccccc2)ccc1NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000454577944 822500069 /nfs/dbraw/zinc/50/00/69/822500069.db2.gz LZOKPWOXYZULOZ-GOSISDBHSA-N 1 1 399.560 4.115 20 0 GIADMO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000179551872 822501996 /nfs/dbraw/zinc/50/19/96/822501996.db2.gz OYLUEKFQDRMUIH-VBKZILBWSA-N 1 1 398.869 4.365 20 0 GIADMO CC[N@H+](C/C=C/c1ccc(Cl)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000179571376 822505451 /nfs/dbraw/zinc/50/54/51/822505451.db2.gz JFCISYZGAACBPQ-SNAWJCMRSA-N 1 1 385.895 4.272 20 0 GIADMO CC[N@@H+](C/C=C/c1ccc(Cl)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000179571376 822505453 /nfs/dbraw/zinc/50/54/53/822505453.db2.gz JFCISYZGAACBPQ-SNAWJCMRSA-N 1 1 385.895 4.272 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCCC1(F)F ZINC000454610403 822505736 /nfs/dbraw/zinc/50/57/36/822505736.db2.gz JEAIQQIODFVAFH-NZSAHSFTSA-N 1 1 379.495 4.022 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CSc2ccccc21 ZINC000454619260 822507558 /nfs/dbraw/zinc/50/75/58/822507558.db2.gz NZJSBOVJZLKDOL-QFUCXCTJSA-N 1 1 395.572 4.086 20 0 GIADMO CCCn1ncc(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1C1CC1 ZINC000454626119 822508851 /nfs/dbraw/zinc/50/88/51/822508851.db2.gz DNHYOQBVCNXAMQ-UHFFFAOYSA-N 1 1 399.564 4.363 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000046751162 822512847 /nfs/dbraw/zinc/51/28/47/822512847.db2.gz WKEWBKOVHQWNLY-MRXNPFEDSA-N 1 1 386.515 4.029 20 0 GIADMO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1noc(-c2ccsc2)n1 ZINC000179628932 822515783 /nfs/dbraw/zinc/51/57/83/822515783.db2.gz HUSBQQFBFANCQH-QGZVFWFLSA-N 1 1 378.885 4.184 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000046776727 822515942 /nfs/dbraw/zinc/51/59/42/822515942.db2.gz NFXKXBZCISPXMK-AWEZNQCLSA-N 1 1 392.446 4.318 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000046776727 822515944 /nfs/dbraw/zinc/51/59/44/822515944.db2.gz NFXKXBZCISPXMK-AWEZNQCLSA-N 1 1 392.446 4.318 20 0 GIADMO COc1cc(OC)cc(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000046781314 822516830 /nfs/dbraw/zinc/51/68/30/822516830.db2.gz JNMFNORFIOIEKH-QGZVFWFLSA-N 1 1 382.504 4.008 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000183725518 822517284 /nfs/dbraw/zinc/51/72/84/822517284.db2.gz SPCYBJWUJBFKRY-ABAIWWIYSA-N 1 1 393.409 4.024 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1Br ZINC000183740994 822520387 /nfs/dbraw/zinc/52/03/87/822520387.db2.gz NRKSDOWUJGOTJX-LBPRGKRZSA-N 1 1 393.256 4.396 20 0 GIADMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NCC3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000183743067 822520631 /nfs/dbraw/zinc/52/06/31/822520631.db2.gz QGOCEZWVKSFTHU-NXYGQSRBSA-N 1 1 397.485 4.165 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccccc1F ZINC000046846464 822523745 /nfs/dbraw/zinc/52/37/45/822523745.db2.gz OYZILRWDFHEJDV-FQEVSTJZSA-N 1 1 380.488 4.417 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccccc1F ZINC000046846464 822523747 /nfs/dbraw/zinc/52/37/47/822523747.db2.gz OYZILRWDFHEJDV-FQEVSTJZSA-N 1 1 380.488 4.417 20 0 GIADMO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000179672001 822524041 /nfs/dbraw/zinc/52/40/41/822524041.db2.gz HEXMKHBFAVDZBW-AWEZNQCLSA-N 1 1 383.293 4.494 20 0 GIADMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000179672001 822524045 /nfs/dbraw/zinc/52/40/45/822524045.db2.gz HEXMKHBFAVDZBW-AWEZNQCLSA-N 1 1 383.293 4.494 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)Nc3c(F)cccc3F)CC[N@H+]2C2CC2)c1 ZINC000183767918 822525493 /nfs/dbraw/zinc/52/54/93/822525493.db2.gz BGNPWFRJCIZUEK-UYAOXDASSA-N 1 1 387.430 4.073 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)NCCCC(C)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454741503 822526325 /nfs/dbraw/zinc/52/63/25/822526325.db2.gz SXFYBLJYPSDSHD-CZUORRHYSA-N 1 1 391.865 4.207 20 0 GIADMO Cc1cc([C@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c(C)o1 ZINC000183791686 822528689 /nfs/dbraw/zinc/52/86/89/822528689.db2.gz XDDFDEXKNAJLEH-KBXCAEBGSA-N 1 1 381.432 4.111 20 0 GIADMO CCC(CC)n1nc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000179693902 822528868 /nfs/dbraw/zinc/52/88/68/822528868.db2.gz RLWXCOBFRQGJDA-HXUWFJFHSA-N 1 1 382.552 4.147 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nnc4ccccn42)CCC3)cc1 ZINC000183816340 822531051 /nfs/dbraw/zinc/53/10/51/822531051.db2.gz XCXNPLVRAPEPON-MRXNPFEDSA-N 1 1 391.500 4.029 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454777952 822532203 /nfs/dbraw/zinc/53/22/03/822532203.db2.gz VEJCZFUGIBWNNP-JFRXWTBNSA-N 1 1 397.485 4.269 20 0 GIADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000179709660 822532445 /nfs/dbraw/zinc/53/24/45/822532445.db2.gz HQIINQDZDPDXLN-SFHVURJKSA-N 1 1 380.319 4.430 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000179709660 822532448 /nfs/dbraw/zinc/53/24/48/822532448.db2.gz HQIINQDZDPDXLN-SFHVURJKSA-N 1 1 380.319 4.430 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCc3nc(C(C)(C)C)no3)cc2)C1 ZINC000046935125 822532831 /nfs/dbraw/zinc/53/28/31/822532831.db2.gz OYQSXEWRLPHCDY-MRXNPFEDSA-N 1 1 384.524 4.170 20 0 GIADMO COc1cccc(COCC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000046935120 822532867 /nfs/dbraw/zinc/53/28/67/822532867.db2.gz QPSPVMRSYYSJMX-SFHVURJKSA-N 1 1 382.504 4.082 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(COC(C)C)cc3)cc2)CC1 ZINC000046939716 822533115 /nfs/dbraw/zinc/53/31/15/822533115.db2.gz YJDKZJNMLVZLAJ-UHFFFAOYSA-N 1 1 395.547 4.001 20 0 GIADMO CC(C)C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(Cl)cc1 ZINC000179717917 822534275 /nfs/dbraw/zinc/53/42/75/822534275.db2.gz KJYGIPCCIAAPIQ-INIZCTEOSA-N 1 1 386.970 4.218 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccccc1OCC(=O)N(C)C ZINC000179729464 822536814 /nfs/dbraw/zinc/53/68/14/822536814.db2.gz IDHSGVXOVYZHFV-GOSISDBHSA-N 1 1 399.516 4.111 20 0 GIADMO CCc1cc2c(n1Cc1ccccc1)CCC[C@H]2[NH2+]Cc1nnc2n1CCCC2 ZINC000183864702 822537772 /nfs/dbraw/zinc/53/77/72/822537772.db2.gz CMZSWWOOJLCXJR-OAQYLSRUSA-N 1 1 389.547 4.194 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047037810 822538930 /nfs/dbraw/zinc/53/89/30/822538930.db2.gz QHBUPZYSTJUHFA-IYBDPMFKSA-N 1 1 389.565 4.128 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCOc2cccc(F)c2)c1 ZINC000047066350 822541955 /nfs/dbraw/zinc/54/19/55/822541955.db2.gz RATSOCSIZCTOFG-UHFFFAOYSA-N 1 1 396.466 4.394 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000179749331 822542268 /nfs/dbraw/zinc/54/22/68/822542268.db2.gz UKIXWSNMSRTGDP-UHFFFAOYSA-N 1 1 393.487 4.235 20 0 GIADMO Fc1cccc(F)c1-n1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000179758454 822544702 /nfs/dbraw/zinc/54/47/02/822544702.db2.gz CQJPZCHQSSCQIX-OAQYLSRUSA-N 1 1 397.425 4.163 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000047104417 822544781 /nfs/dbraw/zinc/54/47/81/822544781.db2.gz XEPZYXZVIFPUFG-ZWKOTPCHSA-N 1 1 381.442 4.006 20 0 GIADMO COc1ccccc1COC1CC[NH+](CC(=O)N(c2ccccc2)C(C)C)CC1 ZINC000179762291 822546081 /nfs/dbraw/zinc/54/60/81/822546081.db2.gz HMMNDAAIOGMTOD-UHFFFAOYSA-N 1 1 396.531 4.118 20 0 GIADMO CCN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047127965 822546274 /nfs/dbraw/zinc/54/62/74/822546274.db2.gz XVGWXRZRKLUVOZ-WOJBJXKFSA-N 1 1 395.547 4.028 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)C1 ZINC000454862791 822547832 /nfs/dbraw/zinc/54/78/32/822547832.db2.gz ZUEADUZBLJEDCP-JTQLQIEISA-N 1 1 397.413 4.136 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000183925574 822547982 /nfs/dbraw/zinc/54/79/82/822547982.db2.gz NSUUALWCVFOHRP-SFHVURJKSA-N 1 1 379.529 4.412 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000183925574 822547983 /nfs/dbraw/zinc/54/79/83/822547983.db2.gz NSUUALWCVFOHRP-SFHVURJKSA-N 1 1 379.529 4.412 20 0 GIADMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000454863636 822548115 /nfs/dbraw/zinc/54/81/15/822548115.db2.gz APEWPABSWBPJLE-QYZOEREBSA-N 1 1 397.485 4.319 20 0 GIADMO COc1ccc(OCc2nc(C[N@H+](C)C[C@@H](C)c3nccs3)cs2)cc1 ZINC000183928238 822548706 /nfs/dbraw/zinc/54/87/06/822548706.db2.gz CIWREYOCQKLMKJ-CQSZACIVSA-N 1 1 389.546 4.423 20 0 GIADMO COc1ccc(OCc2nc(C[N@@H+](C)C[C@@H](C)c3nccs3)cs2)cc1 ZINC000183928238 822548709 /nfs/dbraw/zinc/54/87/09/822548709.db2.gz CIWREYOCQKLMKJ-CQSZACIVSA-N 1 1 389.546 4.423 20 0 GIADMO CC[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2C)CC[N@H+]1Cc1ccccc1 ZINC000183931482 822549474 /nfs/dbraw/zinc/54/94/74/822549474.db2.gz YCGSFDWYFISGRC-OAQYLSRUSA-N 1 1 394.519 4.082 20 0 GIADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC2c3ccccc3-c3ccccc32)c1 ZINC000183937942 822550507 /nfs/dbraw/zinc/55/05/07/822550507.db2.gz LTJRRABPHYYBLG-QHCPKHFHSA-N 1 1 383.495 4.318 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1)c1cc(F)ccc1F ZINC000179778520 822551041 /nfs/dbraw/zinc/55/10/41/822551041.db2.gz HFPOIPSOACPQIJ-YVEFUNNKSA-N 1 1 378.419 4.050 20 0 GIADMO c1ccc(COc2ccccc2C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)nc1 ZINC000179778148 822551072 /nfs/dbraw/zinc/55/10/72/822551072.db2.gz IIXLHWCAICVAOV-FQEVSTJZSA-N 1 1 399.498 4.083 20 0 GIADMO Cc1nc(-c2cccs2)sc1C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000047174361 822551154 /nfs/dbraw/zinc/55/11/54/822551154.db2.gz FXQREWIIMFKNPC-UHFFFAOYSA-N 1 1 381.486 4.321 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)COc1ccccc1-c1ccccc1 ZINC000047174415 822551169 /nfs/dbraw/zinc/55/11/69/822551169.db2.gz JTHIHSWRRODYLU-UHFFFAOYSA-N 1 1 384.439 4.260 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)s1 ZINC000183946492 822551779 /nfs/dbraw/zinc/55/17/79/822551779.db2.gz KRVBXFFPZNNFIS-GFCCVEGCSA-N 1 1 383.920 4.116 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000047188238 822552528 /nfs/dbraw/zinc/55/25/28/822552528.db2.gz HKDLZQAEXHQLKJ-LJQANCHMSA-N 1 1 397.519 4.024 20 0 GIADMO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)cs1 ZINC000183952039 822552750 /nfs/dbraw/zinc/55/27/50/822552750.db2.gz NONDDLQYBGCMBE-OAHLLOKOSA-N 1 1 395.519 4.496 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Br)s1 ZINC000183970072 822555650 /nfs/dbraw/zinc/55/56/50/822555650.db2.gz QCPHCQYXCBIABI-NSHDSACASA-N 1 1 382.327 4.066 20 0 GIADMO CC(C)[C@@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000179803454 822556020 /nfs/dbraw/zinc/55/60/20/822556020.db2.gz XENUVTIFGJOPOG-DOPJRALCSA-N 1 1 393.915 4.026 20 0 GIADMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000047228180 822556189 /nfs/dbraw/zinc/55/61/89/822556189.db2.gz PIQIHGULYBHBKW-UHFFFAOYSA-N 1 1 397.504 4.183 20 0 GIADMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000047260451 822559518 /nfs/dbraw/zinc/55/95/18/822559518.db2.gz JWCROCHBVDXBAU-INIZCTEOSA-N 1 1 396.878 4.241 20 0 GIADMO Cc1ccnc(NC(=O)C2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)c1 ZINC000047261745 822559711 /nfs/dbraw/zinc/55/97/11/822559711.db2.gz GUNVILIIQVSARO-UHFFFAOYSA-N 1 1 394.450 4.035 20 0 GIADMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000047265772 822559960 /nfs/dbraw/zinc/55/99/60/822559960.db2.gz IMQUZBMVRQBFDU-UHFFFAOYSA-N 1 1 398.450 4.420 20 0 GIADMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000047265772 822559961 /nfs/dbraw/zinc/55/99/61/822559961.db2.gz IMQUZBMVRQBFDU-UHFFFAOYSA-N 1 1 398.450 4.420 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)cn1 ZINC000047275970 822561236 /nfs/dbraw/zinc/56/12/36/822561236.db2.gz RHVHKCZIQCSOHR-NSHDSACASA-N 1 1 391.258 4.289 20 0 GIADMO C[C@H]([NH2+]Cc1noc(C2CCOCC2)n1)C(c1ccccc1)c1ccccc1 ZINC000184002851 822561891 /nfs/dbraw/zinc/56/18/91/822561891.db2.gz KGJKEXIZNYSKEJ-KRWDZBQOSA-N 1 1 377.488 4.274 20 0 GIADMO Cc1ccccc1[C@@H](C[NH+]1CCOCC1)Nc1ccc(N2CCSCC2)cc1 ZINC000184021219 822565536 /nfs/dbraw/zinc/56/55/36/822565536.db2.gz ARONMLCTCXJNHH-HSZRJFAPSA-N 1 1 397.588 4.034 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc4ccc(O)cc43)CC2)cs1 ZINC000184048857 822570663 /nfs/dbraw/zinc/57/06/63/822570663.db2.gz CSIQGLLSUWWRGG-UHFFFAOYSA-N 1 1 381.501 4.161 20 0 GIADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000179882409 822571208 /nfs/dbraw/zinc/57/12/08/822571208.db2.gz XXRVKOMTGJGFTO-WMLDXEAASA-N 1 1 386.883 4.228 20 0 GIADMO O=C(NCc1ccc(C(F)F)cc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000184064044 822573308 /nfs/dbraw/zinc/57/33/08/822573308.db2.gz MOLQQJRHTRDKKQ-MRXNPFEDSA-N 1 1 393.503 4.397 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047395996 822574726 /nfs/dbraw/zinc/57/47/26/822574726.db2.gz CARXPIGBZRNBDR-UHFFFAOYSA-N 1 1 381.373 4.029 20 0 GIADMO O=C1OCCN1c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000184078803 822574865 /nfs/dbraw/zinc/57/48/65/822574865.db2.gz GPUWVKCDGWNBLW-OAQYLSRUSA-N 1 1 377.419 4.057 20 0 GIADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000179908457 822575011 /nfs/dbraw/zinc/57/50/11/822575011.db2.gz RQTDDKYEHWORNY-VQIMIIECSA-N 1 1 390.487 4.119 20 0 GIADMO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC1CCOCC1 ZINC000179911641 822575348 /nfs/dbraw/zinc/57/53/48/822575348.db2.gz TXVSUXXNQDPSIK-CVDCTZTESA-N 1 1 395.547 4.270 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccnc1C(F)(F)F ZINC000179912294 822575642 /nfs/dbraw/zinc/57/56/42/822575642.db2.gz SJLWDTPZKGCTJU-HNNXBMFYSA-N 1 1 391.437 4.405 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccnc2C(F)(F)F)C1 ZINC000179912200 822575649 /nfs/dbraw/zinc/57/56/49/822575649.db2.gz SJLWVZBWQCBYET-OAHLLOKOSA-N 1 1 391.437 4.262 20 0 GIADMO O=C(CC[N@@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccccc1Oc1ccccc1 ZINC000047405646 822575878 /nfs/dbraw/zinc/57/58/78/822575878.db2.gz VEXGUIWSOXXDJL-SFHVURJKSA-N 1 1 380.488 4.308 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000179919161 822577092 /nfs/dbraw/zinc/57/70/92/822577092.db2.gz SATKORMFXHUNLI-CVEARBPZSA-N 1 1 385.483 4.112 20 0 GIADMO CC(=O)N(Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1)C(C)C ZINC000179919943 822577299 /nfs/dbraw/zinc/57/72/99/822577299.db2.gz IUJIVBSLPUOWEH-CYFREDJKSA-N 1 1 394.563 4.161 20 0 GIADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000184105577 822578901 /nfs/dbraw/zinc/57/89/01/822578901.db2.gz URGIGJRAAJVSLR-CZUORRHYSA-N 1 1 378.925 4.030 20 0 GIADMO COc1ccc(C[N@H+](Cc2csc(-c3ccccn3)n2)[C@H](CO)C(C)C)cc1 ZINC000179930551 822579056 /nfs/dbraw/zinc/57/90/56/822579056.db2.gz NMSHHZZPBZECQO-OAQYLSRUSA-N 1 1 397.544 4.233 20 0 GIADMO COc1ccc(C[N@@H+](Cc2csc(-c3ccccn3)n2)[C@H](CO)C(C)C)cc1 ZINC000179930551 822579058 /nfs/dbraw/zinc/57/90/58/822579058.db2.gz NMSHHZZPBZECQO-OAQYLSRUSA-N 1 1 397.544 4.233 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000179930476 822579076 /nfs/dbraw/zinc/57/90/76/822579076.db2.gz YUCPXOOPBJRWCU-XJKSGUPXSA-N 1 1 376.497 4.082 20 0 GIADMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000179931139 822579264 /nfs/dbraw/zinc/57/92/64/822579264.db2.gz PGEALZMZCCBEGR-CQSZACIVSA-N 1 1 387.749 4.087 20 0 GIADMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000179931139 822579266 /nfs/dbraw/zinc/57/92/66/822579266.db2.gz PGEALZMZCCBEGR-CQSZACIVSA-N 1 1 387.749 4.087 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184121907 822581995 /nfs/dbraw/zinc/58/19/95/822581995.db2.gz PCBGRYFJIDOXHQ-ZFWWWQNUSA-N 1 1 380.813 4.462 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184121907 822581998 /nfs/dbraw/zinc/58/19/98/822581998.db2.gz PCBGRYFJIDOXHQ-ZFWWWQNUSA-N 1 1 380.813 4.462 20 0 GIADMO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@@H+](CC)C[C@@H]2CC)c1 ZINC000455065709 822583555 /nfs/dbraw/zinc/58/35/55/822583555.db2.gz ZQOCSASXUFAYIT-HNNXBMFYSA-N 1 1 380.920 4.027 20 0 GIADMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccnc(OC3CCCCC3)c2)C1 ZINC000179948188 822583533 /nfs/dbraw/zinc/58/35/33/822583533.db2.gz BIQBZTZTBMPNDR-GOSISDBHSA-N 1 1 382.508 4.029 20 0 GIADMO Cc1csc([C@H](C)[NH2+]CC(=O)N(C)C(c2ccccc2)c2ccccc2)n1 ZINC000184137550 822584347 /nfs/dbraw/zinc/58/43/47/822584347.db2.gz LMNITZDPEGYSMQ-KRWDZBQOSA-N 1 1 379.529 4.350 20 0 GIADMO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2Br)n1 ZINC000184142598 822584982 /nfs/dbraw/zinc/58/49/82/822584982.db2.gz WFPVXZFERRIEFG-VXGBXAGGSA-N 1 1 382.327 4.200 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C(C)(C)C)n1 ZINC000179958383 822585631 /nfs/dbraw/zinc/58/56/31/822585631.db2.gz GTCODSJVTHFSAT-MRXNPFEDSA-N 1 1 397.498 4.286 20 0 GIADMO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCC1)Nc1ccc(N2CCCC2)cc1 ZINC000179982938 822590477 /nfs/dbraw/zinc/59/04/77/822590477.db2.gz ZBZSAFPUMYXUJM-UHFFFAOYSA-N 1 1 385.458 4.173 20 0 GIADMO C[C@H]([NH2+]Cc1c(F)cccc1Br)c1ccc2c(c1)CCC(=O)N2 ZINC000179984626 822590800 /nfs/dbraw/zinc/59/08/00/822590800.db2.gz XMDXKDWGQHESBH-NSHDSACASA-N 1 1 377.257 4.324 20 0 GIADMO Cc1cccc(NC(=S)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000047567407 822591459 /nfs/dbraw/zinc/59/14/59/822591459.db2.gz JJKAQERUHIJONC-HDICACEKSA-N 1 1 397.588 4.399 20 0 GIADMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCC(C)(F)F ZINC000455125421 822592776 /nfs/dbraw/zinc/59/27/76/822592776.db2.gz GNCKJVCDFAKCID-APWZRJJASA-N 1 1 396.526 4.067 20 0 GIADMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCC(C)(F)F ZINC000455125421 822592780 /nfs/dbraw/zinc/59/27/80/822592780.db2.gz GNCKJVCDFAKCID-APWZRJJASA-N 1 1 396.526 4.067 20 0 GIADMO CC(F)(F)CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000455127499 822593367 /nfs/dbraw/zinc/59/33/67/822593367.db2.gz OQDLZINIRZEHKI-OAHLLOKOSA-N 1 1 393.400 4.014 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CSc2ccccc21 ZINC000455128486 822593526 /nfs/dbraw/zinc/59/35/26/822593526.db2.gz UFQWIHOHEOCGQD-VQTJNVASSA-N 1 1 395.572 4.039 20 0 GIADMO C[C@@H](C#N)Oc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000180009859 822595616 /nfs/dbraw/zinc/59/56/16/822595616.db2.gz PBQRRKCZOIKERL-KBXCAEBGSA-N 1 1 386.883 4.055 20 0 GIADMO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3coc(-c4cccs4)n3)ccc2NC1=O ZINC000180010905 822595936 /nfs/dbraw/zinc/59/59/36/822595936.db2.gz KFCRQLOSXHDJHJ-LRDDRELGSA-N 1 1 383.473 4.363 20 0 GIADMO C[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180012170 822596186 /nfs/dbraw/zinc/59/61/86/822596186.db2.gz SAVILEZYIAATIF-OAHLLOKOSA-N 1 1 379.895 4.322 20 0 GIADMO COc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC(C)C ZINC000184218561 822598003 /nfs/dbraw/zinc/59/80/03/822598003.db2.gz FBOWVKDKIZQZDM-DLBZAZTESA-N 1 1 389.540 4.257 20 0 GIADMO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1nc2ccc(Cl)cc2n1C ZINC000180023203 822598823 /nfs/dbraw/zinc/59/88/23/822598823.db2.gz RIZFCZHTSWDKEI-KXBFYZLASA-N 1 1 396.922 4.241 20 0 GIADMO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3csc(-c4ccoc4)n3)ccc2NC1=O ZINC000180023923 822599133 /nfs/dbraw/zinc/59/91/33/822599133.db2.gz OCVGNAFOLYOKNF-PXAZEXFGSA-N 1 1 383.473 4.363 20 0 GIADMO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)cc1 ZINC000180029916 822600672 /nfs/dbraw/zinc/60/06/72/822600672.db2.gz OTQTWDZNTVEMBM-NRFANRHFSA-N 1 1 380.467 4.033 20 0 GIADMO O=C(NCc1ccccc1)C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000047703530 822601148 /nfs/dbraw/zinc/60/11/48/822601148.db2.gz GANXETUBUVETCC-UHFFFAOYSA-N 1 1 393.350 4.039 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCCC2(F)F)[C@H]1c1cccs1 ZINC000455170678 822601205 /nfs/dbraw/zinc/60/12/05/822601205.db2.gz OPFXFVHPSYRPOT-INMHGKMJSA-N 1 1 385.524 4.256 20 0 GIADMO CC(C)Cn1ncc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C1CC1 ZINC000180057456 822605655 /nfs/dbraw/zinc/60/56/55/822605655.db2.gz VIVRNYQXELONFL-IBGZPJMESA-N 1 1 388.943 4.103 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)c2ccccc2)cc1 ZINC000180059520 822606266 /nfs/dbraw/zinc/60/62/66/822606266.db2.gz BGHPFOXMHLBDAY-QHCPKHFHSA-N 1 1 394.540 4.125 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180062431 822606868 /nfs/dbraw/zinc/60/68/68/822606868.db2.gz DKGPCBRWBOCURJ-NSHDSACASA-N 1 1 377.275 4.169 20 0 GIADMO Cc1csc([C@@H](C)[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000184282446 822608177 /nfs/dbraw/zinc/60/81/77/822608177.db2.gz FGSWTBONKNKTQT-CJNGLKHVSA-N 1 1 397.466 4.312 20 0 GIADMO CC(C)OCCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000047768455 822608318 /nfs/dbraw/zinc/60/83/18/822608318.db2.gz JGOJEQNWCGACPK-UHFFFAOYSA-N 1 1 387.351 4.137 20 0 GIADMO CCC[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)C(=O)N1CCc2sccc2C1 ZINC000180084924 822612055 /nfs/dbraw/zinc/61/20/55/822612055.db2.gz AAEVSLVUKHUUMI-YJBOKZPZSA-N 1 1 396.560 4.039 20 0 GIADMO COc1ccc2oc([C@H](C)[NH2+]Cc3nnc(-c4ccccc4)n3C)c(C)c2c1 ZINC000184321955 822614649 /nfs/dbraw/zinc/61/46/49/822614649.db2.gz STNPNYKGHIPPDD-HNNXBMFYSA-N 1 1 376.460 4.396 20 0 GIADMO Cc1cccc(-c2nc(CC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)cs2)c1 ZINC000180099600 822615253 /nfs/dbraw/zinc/61/52/53/822615253.db2.gz OSKBEDODJTUXAU-RBBKRZOGSA-N 1 1 391.540 4.223 20 0 GIADMO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1nc2ccccc2n1C ZINC000180105845 822616287 /nfs/dbraw/zinc/61/62/87/822616287.db2.gz LSCKQAUMQDEYMM-AVRDEDQJSA-N 1 1 398.510 4.474 20 0 GIADMO O=C(C[N@@H+](C1CC1)C1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000047904076 822618024 /nfs/dbraw/zinc/61/80/24/822618024.db2.gz HVPXNXBBINPBRE-OAQYLSRUSA-N 1 1 398.547 4.309 20 0 GIADMO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000455252948 822618328 /nfs/dbraw/zinc/61/83/28/822618328.db2.gz DZGQWKHWFFEFJZ-MVJTYMMSSA-N 1 1 387.490 4.156 20 0 GIADMO O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000455252949 822618337 /nfs/dbraw/zinc/61/83/37/822618337.db2.gz DZGQWKHWFFEFJZ-UOVPBQLFSA-N 1 1 387.490 4.156 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccc(F)cc3)o2)[C@@H]1c1ccccc1 ZINC000180126171 822620724 /nfs/dbraw/zinc/62/07/24/822620724.db2.gz WYVHACBGMNCWBB-IRLDBZIGSA-N 1 1 394.446 4.173 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(C2SCCCS2)cc1 ZINC000047938107 822621170 /nfs/dbraw/zinc/62/11/70/822621170.db2.gz DIIUMBZVEYOVMG-CQSZACIVSA-N 1 1 375.563 4.126 20 0 GIADMO Cc1cncc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)c1 ZINC000184372548 822623852 /nfs/dbraw/zinc/62/38/52/822623852.db2.gz WFZWGBTVLFQKCP-VGSWGCGISA-N 1 1 380.513 4.234 20 0 GIADMO O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000184374243 822624113 /nfs/dbraw/zinc/62/41/13/822624113.db2.gz HZIAAICMZYPVGT-WBMJQRKESA-N 1 1 399.869 4.422 20 0 GIADMO COc1cc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1C ZINC000455282878 822626361 /nfs/dbraw/zinc/62/63/61/822626361.db2.gz LOXGKNDLZDIZCA-QGZVFWFLSA-N 1 1 381.520 4.298 20 0 GIADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)C1 ZINC000048046518 822626442 /nfs/dbraw/zinc/62/64/42/822626442.db2.gz DNQOXFAOUXUFHI-OAHLLOKOSA-N 1 1 389.590 4.342 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)c1nc(C)cs1 ZINC000184406467 822629486 /nfs/dbraw/zinc/62/94/86/822629486.db2.gz VYTKEUUANKHTTO-KRWDZBQOSA-N 1 1 377.529 4.459 20 0 GIADMO COc1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C(F)(F)F)c1 ZINC000048083341 822630338 /nfs/dbraw/zinc/63/03/38/822630338.db2.gz RHOHGOIEXIZSBM-UHFFFAOYSA-N 1 1 387.446 4.298 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000048082823 822630367 /nfs/dbraw/zinc/63/03/67/822630367.db2.gz LWQWGQYQWVEUDY-UHFFFAOYSA-N 1 1 386.309 4.172 20 0 GIADMO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180173359 822632411 /nfs/dbraw/zinc/63/24/11/822632411.db2.gz PYYQPFVTBQICKQ-UHFFFAOYSA-N 1 1 390.553 4.105 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)CCc2cc(Br)cs2)[C@@H]1c1ccccc1 ZINC000180178745 822633398 /nfs/dbraw/zinc/63/33/98/822633398.db2.gz SEVWPBVJNANTRO-AEFFLSMTSA-N 1 1 393.350 4.005 20 0 GIADMO Cc1c(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cccc1N(C)C ZINC000180180539 822633791 /nfs/dbraw/zinc/63/37/91/822633791.db2.gz LUYBFNSRFXDVFT-SFHVURJKSA-N 1 1 380.536 4.189 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1)C1CC1 ZINC000455320140 822633844 /nfs/dbraw/zinc/63/38/44/822633844.db2.gz ZWYIYGHLYRWQTC-UHFFFAOYSA-N 1 1 390.434 4.148 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1c1ccccc1 ZINC000180194422 822636793 /nfs/dbraw/zinc/63/67/93/822636793.db2.gz SPBNJGSPNULZFF-FPOVZHCZSA-N 1 1 395.890 4.099 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)[C@H]1c1ccccc1 ZINC000180201872 822638657 /nfs/dbraw/zinc/63/86/57/822638657.db2.gz PGTCQDSRKSSIRU-VQTJNVASSA-N 1 1 395.503 4.209 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(CCC(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000180209080 822639860 /nfs/dbraw/zinc/63/98/60/822639860.db2.gz IWJFWZGGBLMMNP-MOPGFXCFSA-N 1 1 376.422 4.357 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1nc2ccc(Cl)cc2n1C ZINC000180209707 822640008 /nfs/dbraw/zinc/64/00/08/822640008.db2.gz VENOEMSUQKQAGP-DNVCBOLYSA-N 1 1 396.922 4.069 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)CN1CCCCCCC1=O)C1CCCCC1 ZINC000048157383 822640960 /nfs/dbraw/zinc/64/09/60/822640960.db2.gz PAQVIOJSGMHXRF-UHFFFAOYSA-N 1 1 385.552 4.182 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc(C(C)(C)C)cs1)C(=O)N(C)Cc1cccc(F)c1 ZINC000184472246 822642109 /nfs/dbraw/zinc/64/21/09/822642109.db2.gz YJNPVGXFEHHKHY-ZIAGYGMSSA-N 1 1 377.529 4.277 20 0 GIADMO Cc1ccc([C@@H]([NH2+]Cc2ccc(C)nc2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000184474657 822642333 /nfs/dbraw/zinc/64/23/33/822642333.db2.gz OVOXGKUVRSKAAE-HSZRJFAPSA-N 1 1 394.540 4.290 20 0 GIADMO Cc1ccc(OCc2ccccc2)c(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000455377357 822643329 /nfs/dbraw/zinc/64/33/29/822643329.db2.gz DJQUYZVAKLBXJH-HSZRJFAPSA-N 1 1 379.504 4.134 20 0 GIADMO Cc1c(-c2cc(C[N@@H+](C)CCCc3cc(-c4ccccc4)no3)on2)cnn1C ZINC000184498192 822645702 /nfs/dbraw/zinc/64/57/02/822645702.db2.gz ADQRXPWJQQLQMV-UHFFFAOYSA-N 1 1 391.475 4.103 20 0 GIADMO O=C(Nc1cccc(C[NH2+][C@@H](CCO)c2ccco2)c1)c1ccc(Cl)cc1 ZINC000184506175 822646904 /nfs/dbraw/zinc/64/69/04/822646904.db2.gz WVVOXNGERKTUDE-IBGZPJMESA-N 1 1 384.863 4.399 20 0 GIADMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000180245790 822647586 /nfs/dbraw/zinc/64/75/86/822647586.db2.gz WHYJTDZMZLYUJU-QGZVFWFLSA-N 1 1 385.309 4.240 20 0 GIADMO Cn1cc([C@@H]([NH2+]Cc2ccc(Br)s2)c2cccc(F)c2)cn1 ZINC000180251077 822648347 /nfs/dbraw/zinc/64/83/47/822648347.db2.gz XSOJUOOLPLGEPW-INIZCTEOSA-N 1 1 380.286 4.262 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccs1 ZINC000180258447 822649561 /nfs/dbraw/zinc/64/95/61/822649561.db2.gz UWFGTTQJCBENFI-SUMWQHHRSA-N 1 1 398.450 4.460 20 0 GIADMO CCC(=O)Nc1ccc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000048258346 822649703 /nfs/dbraw/zinc/64/97/03/822649703.db2.gz BNMKFJNNBVCODU-UHFFFAOYSA-N 1 1 394.519 4.083 20 0 GIADMO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncc(Cl)cc3Cl)ccc2NC1=O ZINC000180259331 822649832 /nfs/dbraw/zinc/64/98/32/822649832.db2.gz ZUABDFITAKFJRG-QLJPJBMISA-N 1 1 380.275 4.349 20 0 GIADMO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000184523249 822650360 /nfs/dbraw/zinc/65/03/60/822650360.db2.gz VKCUNLBEFIQGFW-HNNXBMFYSA-N 1 1 383.492 4.258 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000184523269 822650364 /nfs/dbraw/zinc/65/03/64/822650364.db2.gz VKCUNLBEFIQGFW-OAHLLOKOSA-N 1 1 383.492 4.258 20 0 GIADMO CN1CCc2ccc(NC(=O)N3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc21 ZINC000180266843 822651325 /nfs/dbraw/zinc/65/13/25/822651325.db2.gz YUAABRSSZIBWJO-UHFFFAOYSA-N 1 1 392.547 4.055 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N2CCSC[C@@H]2c2nccs2)cc1)C(C)C ZINC000184529196 822651751 /nfs/dbraw/zinc/65/17/51/822651751.db2.gz HNKVENIUVAHRKM-GOSISDBHSA-N 1 1 389.590 4.304 20 0 GIADMO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 ZINC000184532446 822652314 /nfs/dbraw/zinc/65/23/14/822652314.db2.gz RDHXBCHQUMPSHW-CQSZACIVSA-N 1 1 385.920 4.431 20 0 GIADMO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184536167 822652956 /nfs/dbraw/zinc/65/29/56/822652956.db2.gz USNVGHFPZHBWCG-MRXNPFEDSA-N 1 1 395.528 4.128 20 0 GIADMO Cc1cc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)n(C(C)(C)C)n1 ZINC000184537045 822653165 /nfs/dbraw/zinc/65/31/65/822653165.db2.gz NXQRPGSBJJMRGP-OAHLLOKOSA-N 1 1 397.548 4.359 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000184546629 822655045 /nfs/dbraw/zinc/65/50/45/822655045.db2.gz MAZNDURXWNDHNS-ZDUSSCGKSA-N 1 1 396.541 4.347 20 0 GIADMO CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000180287162 822655870 /nfs/dbraw/zinc/65/58/70/822655870.db2.gz IOGZRTYZWADIDM-HOTGVXAUSA-N 1 1 378.476 4.327 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000048361391 822656218 /nfs/dbraw/zinc/65/62/18/822656218.db2.gz JSTSNVRJIPKLQD-HUUCEWRRSA-N 1 1 390.886 4.018 20 0 GIADMO Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1NC(=O)c1ccccc1 ZINC000048397369 822659311 /nfs/dbraw/zinc/65/93/11/822659311.db2.gz OCBNLUVKXJTQIE-LJQANCHMSA-N 1 1 393.531 4.242 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000048434216 822661697 /nfs/dbraw/zinc/66/16/97/822661697.db2.gz BSNBKGGCPDOJRA-LPHOPBHVSA-N 1 1 377.444 4.243 20 0 GIADMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000048434216 822661719 /nfs/dbraw/zinc/66/17/19/822661719.db2.gz BSNBKGGCPDOJRA-LPHOPBHVSA-N 1 1 377.444 4.243 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1c(C)cc(C)nc1C ZINC000455479351 822662337 /nfs/dbraw/zinc/66/23/37/822662337.db2.gz GKHMOBPJQWLIIJ-OAQYLSRUSA-N 1 1 380.536 4.383 20 0 GIADMO CSCC[C@@H]([NH2+]Cc1c(C)cc(C)c(C(C)=O)c1C)c1nnc2ccccn21 ZINC000184598006 822663517 /nfs/dbraw/zinc/66/35/17/822663517.db2.gz PJAUBFDVZGTFFC-LJQANCHMSA-N 1 1 396.560 4.441 20 0 GIADMO Cc1c(-c2cc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccccc3)on2)cnn1C ZINC000184612290 822665788 /nfs/dbraw/zinc/66/57/88/822665788.db2.gz DLIKJTZGRGJBCK-CVDCTZTESA-N 1 1 394.519 4.252 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)C1 ZINC000180352622 822668540 /nfs/dbraw/zinc/66/85/40/822668540.db2.gz UYLLCWREIFROPF-INIZCTEOSA-N 1 1 389.931 4.030 20 0 GIADMO Cc1c(-c2cc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cc3)on2)cnn1C ZINC000184656481 822671560 /nfs/dbraw/zinc/67/15/60/822671560.db2.gz FZMQPKFFEGFTEY-JOCHJYFZSA-N 1 1 376.435 4.402 20 0 GIADMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000048549762 822671603 /nfs/dbraw/zinc/67/16/03/822671603.db2.gz KSIQTPKWDXBFHC-HNNXBMFYSA-N 1 1 393.409 4.110 20 0 GIADMO C[N@@H+](CCC1CCOCC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180380014 822672924 /nfs/dbraw/zinc/67/29/24/822672924.db2.gz ONJPNFQUVSIEBS-UHFFFAOYSA-N 1 1 378.257 4.299 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455544564 822672922 /nfs/dbraw/zinc/67/29/22/822672922.db2.gz PFPFWEXDUBVRFY-NRFANRHFSA-N 1 1 389.421 4.234 20 0 GIADMO C[C@H](NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000048578667 822673699 /nfs/dbraw/zinc/67/36/99/822673699.db2.gz RBFCHSADUWEOOZ-SFHVURJKSA-N 1 1 393.531 4.267 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cc(F)cc(F)c1F ZINC000455569939 822676332 /nfs/dbraw/zinc/67/63/32/822676332.db2.gz ULSQGKGBDJXZBZ-CQSZACIVSA-N 1 1 377.410 4.232 20 0 GIADMO Cc1ccccc1-c1ccc(Cl)c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000455575301 822677186 /nfs/dbraw/zinc/67/71/86/822677186.db2.gz BCVJGDMKJBKUSQ-UHFFFAOYSA-N 1 1 399.966 4.025 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000048709208 822679198 /nfs/dbraw/zinc/67/91/98/822679198.db2.gz JCODMDOIXDCIBA-CQSZACIVSA-N 1 1 380.883 4.036 20 0 GIADMO O=C(NCc1ccco1)c1cccc(C[NH2+]Cc2ccccc2Br)c1 ZINC000048748340 822680962 /nfs/dbraw/zinc/68/09/62/822680962.db2.gz KAMMHFDLVQUFMH-UHFFFAOYSA-N 1 1 399.288 4.262 20 0 GIADMO CC(=O)N1CC[N@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C(C)(C)C1 ZINC000184725595 822682477 /nfs/dbraw/zinc/68/24/77/822682477.db2.gz VLGCHXRXHGFMPS-UHFFFAOYSA-N 1 1 399.922 4.035 20 0 GIADMO CC(=O)N1CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C(C)(C)C1 ZINC000184725595 822682478 /nfs/dbraw/zinc/68/24/78/822682478.db2.gz VLGCHXRXHGFMPS-UHFFFAOYSA-N 1 1 399.922 4.035 20 0 GIADMO O=C(N[C@H](c1ccccc1)C(F)F)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455615212 822684705 /nfs/dbraw/zinc/68/47/05/822684705.db2.gz FXGFIFFFYYWHHS-OFNKIYASSA-N 1 1 399.485 4.300 20 0 GIADMO COCc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000048826115 822684924 /nfs/dbraw/zinc/68/49/24/822684924.db2.gz ZLSZHDDTUWRKQY-IBGZPJMESA-N 1 1 395.547 4.207 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000455637279 822688335 /nfs/dbraw/zinc/68/83/35/822688335.db2.gz IXAWGAXFUNERDW-UHFFFAOYSA-N 1 1 390.793 4.298 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(Cl)ccc1OC(F)(F)F)C1=CC[N@@H+](C)CC1 ZINC000455638342 822688550 /nfs/dbraw/zinc/68/85/50/822688550.db2.gz KSWKYRUIWBSPLS-SNVBAGLBSA-N 1 1 377.794 4.011 20 0 GIADMO COCCC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000184780634 822689999 /nfs/dbraw/zinc/68/99/99/822689999.db2.gz YJTADDPCGREMQE-UHFFFAOYSA-N 1 1 387.351 4.137 20 0 GIADMO Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000184785496 822690749 /nfs/dbraw/zinc/69/07/49/822690749.db2.gz GUYXGEWATSQAAW-UHFFFAOYSA-N 1 1 379.414 4.329 20 0 GIADMO Fc1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000180503144 822691971 /nfs/dbraw/zinc/69/19/71/822691971.db2.gz CAUFKVNJBMFHJF-CYBMUJFWSA-N 1 1 389.272 4.011 20 0 GIADMO Fc1cccc(Br)c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000180503144 822691974 /nfs/dbraw/zinc/69/19/74/822691974.db2.gz CAUFKVNJBMFHJF-CYBMUJFWSA-N 1 1 389.272 4.011 20 0 GIADMO Cn1cc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c(-c2ccncc2)n1 ZINC000180510612 822694009 /nfs/dbraw/zinc/69/40/09/822694009.db2.gz ZFBQBUWRNWUJCE-GOTSBHOMSA-N 1 1 390.531 4.350 20 0 GIADMO C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1cncc(F)c1 ZINC000180523549 822695889 /nfs/dbraw/zinc/69/58/89/822695889.db2.gz CQSNQVNFGIAOHL-SECBINFHSA-N 1 1 375.188 4.435 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C(=O)N1CCc2ccccc2C1 ZINC000180525111 822696307 /nfs/dbraw/zinc/69/63/07/822696307.db2.gz ANCQKKZDWKPNAQ-DLBZAZTESA-N 1 1 391.540 4.434 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc3c(cn2)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000455677176 822698349 /nfs/dbraw/zinc/69/83/49/822698349.db2.gz XJSJODGESRYTMM-UWJYYQICSA-N 1 1 378.520 4.087 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1cc(F)ccc1F ZINC000180555716 822701697 /nfs/dbraw/zinc/70/16/97/822701697.db2.gz WZVWQGDTDAKLFN-HNNXBMFYSA-N 1 1 376.300 4.326 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc(F)c(F)c1 ZINC000180557039 822701851 /nfs/dbraw/zinc/70/18/51/822701851.db2.gz ZCERVHRYHHLBRF-HNNXBMFYSA-N 1 1 376.300 4.326 20 0 GIADMO Cc1c(Cl)cncc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000455696162 822704900 /nfs/dbraw/zinc/70/49/00/822704900.db2.gz OCGPCRRQNXUQGM-QZTJIDSGSA-N 1 1 384.911 4.029 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Br)c(Cl)c2Cl)C1 ZINC000184877747 822705767 /nfs/dbraw/zinc/70/57/67/822705767.db2.gz LTFOBEMEFGWBOL-VIFPVBQESA-N 1 1 395.128 4.219 20 0 GIADMO O[C@H](C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)nc1)c1ccsc1 ZINC000180583168 822706147 /nfs/dbraw/zinc/70/61/47/822706147.db2.gz FYJFKJOUEZTEDK-JOCHJYFZSA-N 1 1 393.556 4.479 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NC[C@@]3(C)CCCc4ccccc43)CC2)cs1 ZINC000180587701 822706602 /nfs/dbraw/zinc/70/66/02/822706602.db2.gz FWIXFSPBLBPHLJ-HSZRJFAPSA-N 1 1 397.588 4.074 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2OCCF)C1 ZINC000455709530 822709280 /nfs/dbraw/zinc/70/92/80/822709280.db2.gz CJPFVERYFDOMHQ-QZTJIDSGSA-N 1 1 377.504 4.153 20 0 GIADMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccccc1OCc1ccccn1)c1ccco1 ZINC000180602567 822709458 /nfs/dbraw/zinc/70/94/58/822709458.db2.gz YSLVPMOIQLYGNC-RTWAWAEBSA-N 1 1 378.472 4.342 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc1OC(F)F ZINC000180604494 822710133 /nfs/dbraw/zinc/71/01/33/822710133.db2.gz CMZPVOVQLVMWFM-HOTGVXAUSA-N 1 1 381.419 4.368 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccccc2OCCF)CC1 ZINC000455715220 822711138 /nfs/dbraw/zinc/71/11/38/822711138.db2.gz LQQXIOOICGYRCZ-UHFFFAOYSA-N 1 1 399.510 4.411 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccccc1OCCF ZINC000455723589 822714003 /nfs/dbraw/zinc/71/40/03/822714003.db2.gz MZICZULESOQBGI-GOSISDBHSA-N 1 1 385.483 4.163 20 0 GIADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000180621033 822714342 /nfs/dbraw/zinc/71/43/42/822714342.db2.gz NKSPLNHTVYWJAR-FQEVSTJZSA-N 1 1 395.507 4.135 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000180622554 822714560 /nfs/dbraw/zinc/71/45/60/822714560.db2.gz VAZHJWFNWIVEJU-MRXNPFEDSA-N 1 1 392.421 4.005 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000180623588 822714676 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COc1cccc(-c2nc(C[N@H+]3CCS[C@@H](C(C)C)C3)cs2)c1OC ZINC000174329001 822772017 /nfs/dbraw/zinc/77/20/17/822772017.db2.gz JOESTFNCRJBXHR-QGZVFWFLSA-N 1 1 378.563 4.401 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CCS[C@H](C(C)C)C3)cs2)c1OC ZINC000174328987 822772042 /nfs/dbraw/zinc/77/20/42/822772042.db2.gz JOESTFNCRJBXHR-KRWDZBQOSA-N 1 1 378.563 4.401 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CCS[C@H](C(C)C)C3)cs2)c1OC ZINC000174328987 822772044 /nfs/dbraw/zinc/77/20/44/822772044.db2.gz JOESTFNCRJBXHR-KRWDZBQOSA-N 1 1 378.563 4.401 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000456056713 822772279 /nfs/dbraw/zinc/77/22/79/822772279.db2.gz HQDTVELPBGLZHO-CYBMUJFWSA-N 1 1 389.487 4.132 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185364806 822772466 /nfs/dbraw/zinc/77/24/66/822772466.db2.gz DXFQUKWOVDSOCI-MAUKXSAKSA-N 1 1 375.563 4.090 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3ccc(Cl)c4ccccc43)sc2n1 ZINC000185395633 822778239 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GIADMO COc1ccc(-c2noc([C@H](C)N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2)cc1 ZINC000185483562 822789456 /nfs/dbraw/zinc/78/94/56/822789456.db2.gz XHXMEFFPBVLSOZ-HOTGVXAUSA-N 1 1 398.532 4.247 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000052077058 822789799 /nfs/dbraw/zinc/78/97/99/822789799.db2.gz RBXRFXHFIFNGGZ-UHFFFAOYSA-N 1 1 397.519 4.145 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000052077058 822789800 /nfs/dbraw/zinc/78/98/00/822789800.db2.gz RBXRFXHFIFNGGZ-UHFFFAOYSA-N 1 1 397.519 4.145 20 0 GIADMO CC1CCN(C(=O)C2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)CC1 ZINC000052157827 822791590 /nfs/dbraw/zinc/79/15/90/822791590.db2.gz VAFDLUDCRGQHEI-UHFFFAOYSA-N 1 1 389.590 4.342 20 0 GIADMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000174452665 822791705 /nfs/dbraw/zinc/79/17/05/822791705.db2.gz BZKDRVKJFQADDI-UHFFFAOYSA-N 1 1 386.499 4.387 20 0 GIADMO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2CN(C)Cc2ccco2)o1 ZINC000174452629 822791826 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O=C(CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)Nc1ccccc1Cl ZINC000052275821 822795443 /nfs/dbraw/zinc/79/54/43/822795443.db2.gz IVYMIEDBZNGOBM-SFHVURJKSA-N 1 1 379.287 4.396 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)n(C3CCCC3)c3ccc(OC)cc32)C1 ZINC000174482505 822795395 /nfs/dbraw/zinc/79/53/95/822795395.db2.gz OWDVKLHSFBGODD-GOSISDBHSA-N 1 1 397.563 4.487 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCSc2ccc(Br)cc2)C1 ZINC000174492486 822796395 /nfs/dbraw/zinc/79/63/95/822796395.db2.gz MEGOEUCGHPWGGU-HNNXBMFYSA-N 1 1 399.398 4.122 20 0 GIADMO CCSc1cccc(CNc2ccc(OCC[NH+]3CCN(C)CC3)cc2)c1 ZINC000185560033 822796593 /nfs/dbraw/zinc/79/65/93/822796593.db2.gz IAYMGAZCRSFKIE-UHFFFAOYSA-N 1 1 385.577 4.037 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000174501318 822797466 /nfs/dbraw/zinc/79/74/66/822797466.db2.gz BABCIXMPABKLDW-QGZVFWFLSA-N 1 1 384.549 4.008 20 0 GIADMO CC(C)Cn1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1C1CC1 ZINC000456323474 822798409 /nfs/dbraw/zinc/79/84/09/822798409.db2.gz DZPKSPBCOTUTNR-LJQANCHMSA-N 1 1 394.563 4.011 20 0 GIADMO Cc1cc(CC(C)(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC000456329480 822798941 /nfs/dbraw/zinc/79/89/41/822798941.db2.gz KJLYWGLJTIKTTD-ALOPSCKCSA-N 1 1 393.369 4.068 20 0 GIADMO C[C@H]1CN(C(=O)c2ccc([C@H]3CCCOC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456328962 822798950 /nfs/dbraw/zinc/79/89/50/822798950.db2.gz IHXXYTXCBUOMQY-YKSBVNFPSA-N 1 1 392.543 4.175 20 0 GIADMO Cc1c2cc(Br)cc(C)c2oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456334112 822799542 /nfs/dbraw/zinc/79/95/42/822799542.db2.gz UQRWWFHEBVQXNK-GOOCMWNKSA-N 1 1 391.309 4.167 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000174521449 822800364 /nfs/dbraw/zinc/80/03/64/822800364.db2.gz PSFFWCLLBSWHPQ-GFCCVEGCSA-N 1 1 383.970 4.247 20 0 GIADMO COc1ccc(N2CCC[N@H+]([C@H](C)c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000052466459 822800719 /nfs/dbraw/zinc/80/07/19/822800719.db2.gz VGVNAQZSUAWIJC-QGZVFWFLSA-N 1 1 378.476 4.019 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCCSc2ccccc2)[C@@H]1c1cccs1 ZINC000174525575 822800858 /nfs/dbraw/zinc/80/08/58/822800858.db2.gz MYXHBQRXIFUPON-QFBILLFUSA-N 1 1 389.590 4.223 20 0 GIADMO C[C@H](CC(=O)c1ccccc1F)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456349124 822800943 /nfs/dbraw/zinc/80/09/43/822800943.db2.gz VPQKYTREQACUFP-RTBURBONSA-N 1 1 396.506 4.015 20 0 GIADMO Cc1c(Br)scc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185903491 822831765 /nfs/dbraw/zinc/83/17/65/822831765.db2.gz QCYJDYATFYAFCV-STQMWFEESA-N 1 1 385.371 4.202 20 0 GIADMO C[C@H]1CN(C(=O)c2cccc([C@@H]3CCCOC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456352562 822801471 /nfs/dbraw/zinc/80/14/71/822801471.db2.gz YERXNPCNJONZRQ-HYBUGGRVSA-N 1 1 392.543 4.175 20 0 GIADMO COc1ccc(Br)cc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000052495026 822801541 /nfs/dbraw/zinc/80/15/41/822801541.db2.gz MRCNSQFQLVHDBL-UHFFFAOYSA-N 1 1 398.345 4.042 20 0 GIADMO CCOCc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000052518277 822802386 /nfs/dbraw/zinc/80/23/86/822802386.db2.gz PYGKGQWWQJKJEW-KRWDZBQOSA-N 1 1 380.488 4.279 20 0 GIADMO CCOCc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000052518277 822802391 /nfs/dbraw/zinc/80/23/91/822802391.db2.gz PYGKGQWWQJKJEW-KRWDZBQOSA-N 1 1 380.488 4.279 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC000174544857 822803408 /nfs/dbraw/zinc/80/34/08/822803408.db2.gz MAJYOHZKMKZNQD-AWEZNQCLSA-N 1 1 376.422 4.185 20 0 GIADMO CC[C@H](CNC(=O)CCCCC(=O)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000052591446 822804653 /nfs/dbraw/zinc/80/46/53/822804653.db2.gz FFPLEODXWMOKLA-HSZRJFAPSA-N 1 1 392.543 4.383 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nncn4C(C)C)C3)n2)cc1 ZINC000174557129 822804681 /nfs/dbraw/zinc/80/46/81/822804681.db2.gz VLZIQJQWUQIVTF-IBGZPJMESA-N 1 1 394.523 4.412 20 0 GIADMO CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nncn4C(C)C)C3)n2)cc1 ZINC000174557129 822804683 /nfs/dbraw/zinc/80/46/83/822804683.db2.gz VLZIQJQWUQIVTF-IBGZPJMESA-N 1 1 394.523 4.412 20 0 GIADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cn(C)c2ccccc12 ZINC000185643962 822805991 /nfs/dbraw/zinc/80/59/91/822805991.db2.gz HKECGWLAQRKDEP-ZJOUEHCJSA-N 1 1 389.543 4.451 20 0 GIADMO COc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2cccnc2Cl)c2ccccc2)cc1 ZINC000052662352 822806764 /nfs/dbraw/zinc/80/67/64/822806764.db2.gz ZFLOKWADPOECPP-FOIQADDNSA-N 1 1 395.890 4.450 20 0 GIADMO CCCCCNC(=O)C1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000052721967 822808520 /nfs/dbraw/zinc/80/85/20/822808520.db2.gz IDGMNCUCETUDTD-QGZVFWFLSA-N 1 1 384.524 4.124 20 0 GIADMO CCCc1ncc(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)o1 ZINC000456484514 822809895 /nfs/dbraw/zinc/80/98/95/822809895.db2.gz AEUMRLRCGIETAD-UHFFFAOYSA-N 1 1 377.488 4.189 20 0 GIADMO C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cn(-c3ccccc3)nc1-c1cccnc1)C2 ZINC000174598155 822810107 /nfs/dbraw/zinc/81/01/07/822810107.db2.gz SMEKGIICQSFQFM-BRTIRZTQSA-N 1 1 387.531 4.039 20 0 GIADMO CN1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cn(-c3ccccc3)nc1-c1cccnc1)C2 ZINC000174598155 822810111 /nfs/dbraw/zinc/81/01/11/822810111.db2.gz SMEKGIICQSFQFM-BRTIRZTQSA-N 1 1 387.531 4.039 20 0 GIADMO C[N@H+]1[C@@H]2CCC[C@H]1CC(NCc1cn(-c3ccccc3)nc1-c1cccnc1)C2 ZINC000174598155 822810115 /nfs/dbraw/zinc/81/01/15/822810115.db2.gz SMEKGIICQSFQFM-BRTIRZTQSA-N 1 1 387.531 4.039 20 0 GIADMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NCc1cn(-c3ccccc3)nc1-c1cccnc1)C2 ZINC000174598155 822810118 /nfs/dbraw/zinc/81/01/18/822810118.db2.gz SMEKGIICQSFQFM-BRTIRZTQSA-N 1 1 387.531 4.039 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCCCC(=O)c2ccccc2)CC1 ZINC000052777194 822810408 /nfs/dbraw/zinc/81/04/08/822810408.db2.gz WOBOAFGYZARSFY-UHFFFAOYSA-N 1 1 392.543 4.473 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CCCc1ccccc1 ZINC000052802784 822810891 /nfs/dbraw/zinc/81/08/91/822810891.db2.gz BIVSNJOHXXGFSL-UHFFFAOYSA-N 1 1 390.531 4.382 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000052829758 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4.380 20 0 GIADMO Cc1c2cc(F)ccc2sc1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000174884802 822850669 /nfs/dbraw/zinc/85/06/69/822850669.db2.gz IQQPGVQCAXRZIA-UHFFFAOYSA-N 1 1 398.507 4.154 20 0 GIADMO Cc1ccc(C)c(C(=O)CCC(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000457089957 822852312 /nfs/dbraw/zinc/85/23/12/822852312.db2.gz UHNLHIRITCQUPB-UHFFFAOYSA-N 1 1 398.469 4.142 20 0 GIADMO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cs2)cc1 ZINC000457108576 822853803 /nfs/dbraw/zinc/85/38/03/822853803.db2.gz FVSJFIIRHSISPJ-KRWDZBQOSA-N 1 1 387.549 4.152 20 0 GIADMO Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1N(C)C ZINC000174916760 822855644 /nfs/dbraw/zinc/85/56/44/822855644.db2.gz XSSNYXIMEXMGND-FQEVSTJZSA-N 1 1 380.536 4.047 20 0 GIADMO CCOc1ccc2cc(C(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000174926751 822856975 /nfs/dbraw/zinc/85/69/75/822856975.db2.gz RGDXTHAWDAWNRI-IBGZPJMESA-N 1 1 391.515 4.161 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(COc3cccc(F)c3)c2)CC[N@H+]1C ZINC000174928625 822857313 /nfs/dbraw/zinc/85/73/13/822857313.db2.gz OHNMKIMXHDHWFN-UZLBHIALSA-N 1 1 385.483 4.351 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC4(CCCC4)[C@@H]3C(C)C)CC2)cs1 ZINC000457155308 822857772 /nfs/dbraw/zinc/85/77/72/822857772.db2.gz BAEZUZFZINBAOR-IBGZPJMESA-N 1 1 375.582 4.091 20 0 GIADMO COc1ccccc1OCCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000054011103 822858521 /nfs/dbraw/zinc/85/85/21/822858521.db2.gz SDGWXVLENQGSIU-UHFFFAOYSA-N 1 1 393.487 4.471 20 0 GIADMO COc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1OC ZINC000054011306 822858704 /nfs/dbraw/zinc/85/87/04/822858704.db2.gz SUJGMTKBLPVELY-UHFFFAOYSA-N 1 1 379.460 4.324 20 0 GIADMO Cc1[nH]c2ccc(C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)cc2c1C ZINC000054012435 822858855 /nfs/dbraw/zinc/85/88/55/822858855.db2.gz AIMXPBKIIUAJHA-UHFFFAOYSA-N 1 1 376.504 4.179 20 0 GIADMO CC(C)Oc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cn1 ZINC000054011939 822858910 /nfs/dbraw/zinc/85/89/10/822858910.db2.gz HZUFJYYDIADOMN-UHFFFAOYSA-N 1 1 378.476 4.489 20 0 GIADMO CSCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000186185160 822859095 /nfs/dbraw/zinc/85/90/95/822859095.db2.gz KNLJVMXHPHSHNN-SFTDATJTSA-N 1 1 389.609 4.216 20 0 GIADMO O=C(Cc1nc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cs1)Nc1ccccc1 ZINC000186208426 822861020 /nfs/dbraw/zinc/86/10/20/822861020.db2.gz GEBUQAFXUDBQMS-UHFFFAOYSA-N 1 1 389.524 4.372 20 0 GIADMO O=C(Cc1nc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cs1)Nc1ccccc1 ZINC000186208426 822861023 /nfs/dbraw/zinc/86/10/23/822861023.db2.gz GEBUQAFXUDBQMS-UHFFFAOYSA-N 1 1 389.524 4.372 20 0 GIADMO CC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000054082704 822861487 /nfs/dbraw/zinc/86/14/87/822861487.db2.gz NZNMWQHTNJURJA-UHFFFAOYSA-N 1 1 394.450 4.405 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000174960202 822861588 /nfs/dbraw/zinc/86/15/88/822861588.db2.gz CNOPCGYMLLNEST-LSDHHAIUSA-N 1 1 396.457 4.480 20 0 GIADMO CC(=O)Nc1cccc(Nc2nn(C[N@H+]3CC[C@H](C)[C@H]3C)c(=S)s2)c1 ZINC000174962462 822862053 /nfs/dbraw/zinc/86/20/53/822862053.db2.gz SMYPKQJGZMGOQE-NWDGAFQWSA-N 1 1 377.539 4.064 20 0 GIADMO CC(=O)Nc1cccc(Nc2nn(C[N@@H+]3CC[C@H](C)[C@H]3C)c(=S)s2)c1 ZINC000174962462 822862057 /nfs/dbraw/zinc/86/20/57/822862057.db2.gz SMYPKQJGZMGOQE-NWDGAFQWSA-N 1 1 377.539 4.064 20 0 GIADMO COc1cc(C2(C(=O)N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C ZINC000174970821 822862759 /nfs/dbraw/zinc/86/27/59/822862759.db2.gz HSAYXKVZSITOMQ-OAQYLSRUSA-N 1 1 392.543 4.016 20 0 GIADMO O=C(C[NH+]1CCC(Cn2cncn2)CC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000186247396 822864474 /nfs/dbraw/zinc/86/44/74/822864474.db2.gz CSBBXGANTHIFAE-UHFFFAOYSA-N 1 1 399.498 4.021 20 0 GIADMO CC(C)n1c(-c2ccccn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000568959824 822865213 /nfs/dbraw/zinc/86/52/13/822865213.db2.gz LWKWYSYREGRJHX-MOPGFXCFSA-N 1 1 382.556 4.012 20 0 GIADMO CC(C)n1c(-c2ccccn2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000568959825 822865301 /nfs/dbraw/zinc/86/53/01/822865301.db2.gz LWKWYSYREGRJHX-OALUTQOASA-N 1 1 382.556 4.012 20 0 GIADMO COc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1OC(C)C ZINC000186260272 822866256 /nfs/dbraw/zinc/86/62/56/822866256.db2.gz YSDSSOJZPMKGKA-UHFFFAOYSA-N 1 1 397.519 4.222 20 0 GIADMO C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186268411 822867491 /nfs/dbraw/zinc/86/74/91/822867491.db2.gz KGEYYBRHGUMPQU-VGOFRKELSA-N 1 1 381.520 4.005 20 0 GIADMO C[C@@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[N@H+](C)Cc1ccccc1 ZINC000457332896 822867546 /nfs/dbraw/zinc/86/75/46/822867546.db2.gz TVOROHIBRBGGME-HNNXBMFYSA-N 1 1 391.437 4.024 20 0 GIADMO C[C@@H](C(=O)Nc1ccc2c(c1)CN(CC(F)(F)F)C2)[N@@H+](C)Cc1ccccc1 ZINC000457332896 822867549 /nfs/dbraw/zinc/86/75/49/822867549.db2.gz TVOROHIBRBGGME-HNNXBMFYSA-N 1 1 391.437 4.024 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ncoc2-c2ccc(F)cc2)cc1 ZINC000186273338 822868067 /nfs/dbraw/zinc/86/80/67/822868067.db2.gz PPMAVMVJTRUBGN-CQSZACIVSA-N 1 1 390.418 4.466 20 0 GIADMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)[C@@H]2C1 ZINC000568994362 822868250 /nfs/dbraw/zinc/86/82/50/822868250.db2.gz QLSLPBGFBZPBFU-QFBILLFUSA-N 1 1 376.460 4.053 20 0 GIADMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000054202823 822868343 /nfs/dbraw/zinc/86/83/43/822868343.db2.gz NMBXKZWGLWTOII-MRXNPFEDSA-N 1 1 380.879 4.134 20 0 GIADMO CC(C)c1nc([C@@H](C)[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)cs1 ZINC000186274576 822868550 /nfs/dbraw/zinc/86/85/50/822868550.db2.gz CRBAZOZEWWOWDU-OCCSQVGLSA-N 1 1 388.455 4.376 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(Cl)c1 ZINC000568998534 822868630 /nfs/dbraw/zinc/86/86/30/822868630.db2.gz XATYUCPSZCTKTM-NVXWUHKLSA-N 1 1 388.943 4.143 20 0 GIADMO Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c(Cl)c1 ZINC000568998534 822868634 /nfs/dbraw/zinc/86/86/34/822868634.db2.gz XATYUCPSZCTKTM-NVXWUHKLSA-N 1 1 388.943 4.143 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000175022319 822868995 /nfs/dbraw/zinc/86/89/95/822868995.db2.gz QUYOELCGVBFRDM-UHFFFAOYSA-N 1 1 393.940 4.420 20 0 GIADMO COc1cccc(F)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000186283356 822870183 /nfs/dbraw/zinc/87/01/83/822870183.db2.gz LUUOSGHOQAGGRT-UYAOXDASSA-N 1 1 397.494 4.353 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000186298935 822872984 /nfs/dbraw/zinc/87/29/84/822872984.db2.gz JNEUETLXCJBNOT-MRXNPFEDSA-N 1 1 384.501 4.166 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2-n2cccn2)[C@@H]1c1cccs1 ZINC000175048799 822873465 /nfs/dbraw/zinc/87/34/65/822873465.db2.gz CYGACKOMIZIEPM-OXJNMPFZSA-N 1 1 395.532 4.138 20 0 GIADMO COc1ccc2c(C[NH+]3CCC(C(=O)c4ccc(C)cc4)CC3)cc(=O)oc2c1 ZINC000054295302 822873610 /nfs/dbraw/zinc/87/36/10/822873610.db2.gz HJENJVTWUICSIU-UHFFFAOYSA-N 1 1 391.467 4.205 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000054298796 822874037 /nfs/dbraw/zinc/87/40/37/822874037.db2.gz QDDRDDOQRPKMSR-GOSISDBHSA-N 1 1 396.506 4.248 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3c(Cl)cccc3Cl)c2)CCO1 ZINC000175058368 822875222 /nfs/dbraw/zinc/87/52/22/822875222.db2.gz HMRJZMPEZGCSPD-AWEZNQCLSA-N 1 1 393.314 4.144 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3c(Cl)cccc3Cl)c2)CCO1 ZINC000175058368 822875225 /nfs/dbraw/zinc/87/52/25/822875225.db2.gz HMRJZMPEZGCSPD-AWEZNQCLSA-N 1 1 393.314 4.144 20 0 GIADMO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000186331013 822877208 /nfs/dbraw/zinc/87/72/08/822877208.db2.gz NSHVWAWCSJKWBE-INIZCTEOSA-N 1 1 379.460 4.240 20 0 GIADMO CCN(C(=O)c1ccc(NC(=O)C(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186332226 822877409 /nfs/dbraw/zinc/87/74/09/822877409.db2.gz AENBRGYGLITZEH-JOCHJYFZSA-N 1 1 393.531 4.018 20 0 GIADMO Cc1cccnc1-c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1C(C)C ZINC000569078068 822877579 /nfs/dbraw/zinc/87/75/79/822877579.db2.gz BOZSWANRXJHJAV-KRWDZBQOSA-N 1 1 396.564 4.174 20 0 GIADMO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000054358960 822878384 /nfs/dbraw/zinc/87/83/84/822878384.db2.gz PTHUUJKURDBYEY-UHFFFAOYSA-N 1 1 377.532 4.155 20 0 GIADMO Cc1noc(C)c1C[C@@H](C)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000175081084 822878931 /nfs/dbraw/zinc/87/89/31/822878931.db2.gz QGYAVWKBZUSZTI-GOSISDBHSA-N 1 1 391.515 4.041 20 0 GIADMO C[C@@H]1CC[C@H](CCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)O1 ZINC000175087330 822879754 /nfs/dbraw/zinc/87/97/54/822879754.db2.gz BNBKYRXWOZFUKW-VQIMIIECSA-N 1 1 398.469 4.087 20 0 GIADMO CC(C)c1c(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cnn1-c1ccccc1Cl ZINC000569103225 822880076 /nfs/dbraw/zinc/88/00/76/822880076.db2.gz XCKGFRAQPLWRJY-HNNXBMFYSA-N 1 1 389.931 4.207 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000175091260 822880488 /nfs/dbraw/zinc/88/04/88/822880488.db2.gz PRZBHGXENIUVKB-UHFFFAOYSA-N 1 1 389.455 4.231 20 0 GIADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000175109051 822883837 /nfs/dbraw/zinc/88/38/37/822883837.db2.gz OJTRNOYOTTVTEN-QLOAFGCXSA-N 1 1 383.536 4.122 20 0 GIADMO COC(=O)c1csc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000569150285 822884205 /nfs/dbraw/zinc/88/42/05/822884205.db2.gz YUAPSHYIZPNNAT-FAXKSRBJSA-N 1 1 384.545 4.381 20 0 GIADMO CCCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1OC ZINC000569155357 822885410 /nfs/dbraw/zinc/88/54/10/822885410.db2.gz CLLICJWXCMPWAM-YPAWHYETSA-N 1 1 381.516 4.489 20 0 GIADMO Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175120319 822885962 /nfs/dbraw/zinc/88/59/62/822885962.db2.gz SLLHQHBRWXUAEI-XLIONFOSSA-N 1 1 394.519 4.194 20 0 GIADMO O=C(COCc1cccc(Cl)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000457528752 822886130 /nfs/dbraw/zinc/88/61/30/822886130.db2.gz YFDCLKZBOIHBEU-UHFFFAOYSA-N 1 1 390.936 4.044 20 0 GIADMO CCc1cnc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)s1 ZINC000175121088 822886315 /nfs/dbraw/zinc/88/63/15/822886315.db2.gz TUCGSPGOPLMMMJ-INIZCTEOSA-N 1 1 386.565 4.079 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)C1 ZINC000457531958 822886871 /nfs/dbraw/zinc/88/68/71/822886871.db2.gz WWBYJXNDXGTOCF-SCTDSRPQSA-N 1 1 397.494 4.490 20 0 GIADMO C[C@@H]1CN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC[N@H+](C2CC2)C1 ZINC000457557734 822890592 /nfs/dbraw/zinc/89/05/92/822890592.db2.gz SQGJMMMIPHUDHB-SUMWQHHRSA-N 1 1 379.957 4.003 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3NC(C)C)CC2)cs1 ZINC000175145614 822891452 /nfs/dbraw/zinc/89/14/52/822891452.db2.gz USNVLFXHDNEOLU-UHFFFAOYSA-N 1 1 390.528 4.262 20 0 GIADMO O=C(c1cc(F)ccc1F)C1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000054518588 822892671 /nfs/dbraw/zinc/89/26/71/822892671.db2.gz KNKNSSJFCIDAHB-UHFFFAOYSA-N 1 1 391.368 4.145 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C(=O)N1CCCC1 ZINC000569234741 822895153 /nfs/dbraw/zinc/89/51/53/822895153.db2.gz JNOCRJVNCANCSK-HXUWFJFHSA-N 1 1 399.922 4.126 20 0 GIADMO O=C(Nc1ccc(-c2c[nH]cn2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000569248614 822896446 /nfs/dbraw/zinc/89/64/46/822896446.db2.gz SMZNEEFTOZRXBO-LJQANCHMSA-N 1 1 396.441 4.173 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)cc1 ZINC000186450409 822897479 /nfs/dbraw/zinc/89/74/79/822897479.db2.gz AHUOHLYWRMPEJM-QFIPXVFZSA-N 1 1 378.497 4.450 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)cc1 ZINC000186450409 822897484 /nfs/dbraw/zinc/89/74/84/822897484.db2.gz AHUOHLYWRMPEJM-QFIPXVFZSA-N 1 1 378.497 4.450 20 0 GIADMO COc1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)cs2)cc1 ZINC000186450386 822897573 /nfs/dbraw/zinc/89/75/73/822897573.db2.gz AHUOHLYWRMPEJM-JOCHJYFZSA-N 1 1 378.497 4.450 20 0 GIADMO COc1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)cs2)cc1 ZINC000186450386 822897576 /nfs/dbraw/zinc/89/75/76/822897576.db2.gz AHUOHLYWRMPEJM-JOCHJYFZSA-N 1 1 378.497 4.450 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)C(C)(C)Cc3ccc(Cl)cc3)CC2)[nH+]c1 ZINC000457617139 822897783 /nfs/dbraw/zinc/89/77/83/822897783.db2.gz YZJSPJCUZOETAP-UHFFFAOYSA-N 1 1 385.939 4.397 20 0 GIADMO O=C(c1cnc2ccccc2c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000457621028 822898019 /nfs/dbraw/zinc/89/80/19/822898019.db2.gz USAXZAPGHBTXKM-RUZDIDTESA-N 1 1 385.511 4.363 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000054606103 822898507 /nfs/dbraw/zinc/89/85/07/822898507.db2.gz LPTYFYMJGWFEBD-AWEZNQCLSA-N 1 1 383.883 4.132 20 0 GIADMO CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000054608996 822898836 /nfs/dbraw/zinc/89/88/36/822898836.db2.gz XPIWZQJYCFGQIJ-OAHLLOKOSA-N 1 1 381.455 4.008 20 0 GIADMO CC[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc2c(c1)OCCO2 ZINC000186463183 822899201 /nfs/dbraw/zinc/89/92/01/822899201.db2.gz OCMIOQYHQPOUOP-KRWDZBQOSA-N 1 1 398.894 4.148 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc(-n2cccn2)cc1 ZINC000186464983 822899679 /nfs/dbraw/zinc/89/96/79/822899679.db2.gz SISOASKXUDENEZ-HNNXBMFYSA-N 1 1 392.894 4.172 20 0 GIADMO Cc1c(Cl)cncc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000457643244 822900117 /nfs/dbraw/zinc/90/01/17/822900117.db2.gz CSVKBFWBBWUYIZ-RXVVDRJESA-N 1 1 383.923 4.170 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)c1nc2c(s1)CCC2 ZINC000457646302 822900642 /nfs/dbraw/zinc/90/06/42/822900642.db2.gz JWJOPOHPDDCIDE-OAHLLOKOSA-N 1 1 386.565 4.032 20 0 GIADMO O=C(c1cnc2ccccc2c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000457647866 822900976 /nfs/dbraw/zinc/90/09/76/822900976.db2.gz IPCDNBIGHKIBOE-XUZZJYLKSA-N 1 1 385.511 4.362 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cncc(F)c1 ZINC000457654886 822901972 /nfs/dbraw/zinc/90/19/72/822901972.db2.gz PAEGPMAIGOZXMW-IRXDYDNUSA-N 1 1 384.499 4.156 20 0 GIADMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186489476 822903709 /nfs/dbraw/zinc/90/37/09/822903709.db2.gz ZWENGPYSSKBOGW-AWEZNQCLSA-N 1 1 376.403 4.226 20 0 GIADMO Cc1cc(NC(=O)[C@H](C)CC(F)(F)F)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000457675027 822905036 /nfs/dbraw/zinc/90/50/36/822905036.db2.gz MPIJWTHFVGZGGT-RHSMWYFYSA-N 1 1 394.441 4.166 20 0 GIADMO CCCOc1c(Cl)cc(C[N@H+]2CCSC3(CCOCC3)C2)cc1OC ZINC000186500445 822905278 /nfs/dbraw/zinc/90/52/78/822905278.db2.gz YKQJPRDKQAYLSB-UHFFFAOYSA-N 1 1 385.957 4.235 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCC[C@H]1CCCCO1 ZINC000186517008 822907443 /nfs/dbraw/zinc/90/74/43/822907443.db2.gz PTJRKZWUWVYUTM-OAQYLSRUSA-N 1 1 399.535 4.060 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCC[C@H]1CCCCO1 ZINC000186517008 822907448 /nfs/dbraw/zinc/90/74/48/822907448.db2.gz PTJRKZWUWVYUTM-OAQYLSRUSA-N 1 1 399.535 4.060 20 0 GIADMO CC[C@H](CC(F)F)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457692313 822907478 /nfs/dbraw/zinc/90/74/78/822907478.db2.gz ZNQCFLFENPSOTK-MSOLQXFVSA-N 1 1 390.478 4.258 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457704025 822908886 /nfs/dbraw/zinc/90/88/86/822908886.db2.gz TUVFVUXWQBVKGJ-CSJNCLCHSA-N 1 1 394.918 4.077 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457704025 822908892 /nfs/dbraw/zinc/90/88/92/822908892.db2.gz TUVFVUXWQBVKGJ-CSJNCLCHSA-N 1 1 394.918 4.077 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1)C[C@@H]1CCCCO1 ZINC000457709721 822909576 /nfs/dbraw/zinc/90/95/76/822909576.db2.gz ODKVRFGPKQSFNJ-VXSCBNMQSA-N 1 1 398.547 4.020 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000457730682 822911844 /nfs/dbraw/zinc/91/18/44/822911844.db2.gz IKCVOVBGNROIBK-NQIIRXRSSA-N 1 1 397.567 4.312 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000175241229 822911945 /nfs/dbraw/zinc/91/19/45/822911945.db2.gz YZYVNZOCZLIZPX-HXUWFJFHSA-N 1 1 385.508 4.335 20 0 GIADMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccccc1CC(F)(F)F ZINC000175243586 822912568 /nfs/dbraw/zinc/91/25/68/822912568.db2.gz FMONQLNJOCFFGL-GOSISDBHSA-N 1 1 392.421 4.021 20 0 GIADMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccccc1CC(F)(F)F ZINC000175243586 822912571 /nfs/dbraw/zinc/91/25/71/822912571.db2.gz FMONQLNJOCFFGL-GOSISDBHSA-N 1 1 392.421 4.021 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1SCCc2ccccc21 ZINC000569383807 822914113 /nfs/dbraw/zinc/91/41/13/822914113.db2.gz YFYRPMCCEPEYIC-SFHVURJKSA-N 1 1 387.574 4.488 20 0 GIADMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1SCCc2ccccc21 ZINC000569383806 822914137 /nfs/dbraw/zinc/91/41/37/822914137.db2.gz YFYRPMCCEPEYIC-GOSISDBHSA-N 1 1 387.574 4.488 20 0 GIADMO Cc1ccc(C(=O)C2CCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000054804837 822914283 /nfs/dbraw/zinc/91/42/83/822914283.db2.gz XQWYCKMCVUYDSW-LJQANCHMSA-N 1 1 399.579 4.110 20 0 GIADMO COc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc(OC)c1O ZINC000569386347 822914336 /nfs/dbraw/zinc/91/43/36/822914336.db2.gz BGVAJWMDMYOXGG-OAHLLOKOSA-N 1 1 384.501 4.399 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000457754352 822915114 /nfs/dbraw/zinc/91/51/14/822915114.db2.gz PHWCEVAEWVEOJX-MLGOLLRUSA-N 1 1 393.350 4.069 20 0 GIADMO Cc1ccc2c(C[NH2+]C(C)(C)c3nc4ccccc4n3C)cc(=O)oc2c1C ZINC000186583716 822917574 /nfs/dbraw/zinc/91/75/74/822917574.db2.gz FTVIIUCWXYMEQF-UHFFFAOYSA-N 1 1 375.472 4.321 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000186587930 822918118 /nfs/dbraw/zinc/91/81/18/822918118.db2.gz DRSMYMOENUDDBT-IAGOWNOFSA-N 1 1 375.557 4.231 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c3ncc(C)s3)ccc2c1 ZINC000175262135 822918289 /nfs/dbraw/zinc/91/82/89/822918289.db2.gz GLBSGJBUAOSJMR-CVEARBPZSA-N 1 1 397.544 4.311 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)CCN1CCN(C)CC1 ZINC000186591193 822919165 /nfs/dbraw/zinc/91/91/65/822919165.db2.gz HZUOWZGPZNMPMZ-ROUUACIJSA-N 1 1 386.609 4.104 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000457785808 822919303 /nfs/dbraw/zinc/91/93/03/822919303.db2.gz LQQCVQFOHBHDLP-PKTZIBPZSA-N 1 1 375.516 4.048 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000457785807 822919385 /nfs/dbraw/zinc/91/93/85/822919385.db2.gz LQQCVQFOHBHDLP-GOTSBHOMSA-N 1 1 375.516 4.048 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCOCC1CCC1)c1ccccc1 ZINC000569418810 822920386 /nfs/dbraw/zinc/92/03/86/822920386.db2.gz JLZRJURWCURNMG-JOCHJYFZSA-N 1 1 382.504 4.090 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OC(F)F ZINC000175274060 822921693 /nfs/dbraw/zinc/92/16/93/822921693.db2.gz FDQDECVAIJHYCR-GOSISDBHSA-N 1 1 388.458 4.272 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(OC(F)F)cc1 ZINC000175277273 822922431 /nfs/dbraw/zinc/92/24/31/822922431.db2.gz CUQAULXDRBZKML-GOSISDBHSA-N 1 1 388.458 4.272 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000175277782 822922503 /nfs/dbraw/zinc/92/25/03/822922503.db2.gz GBOVSSLIEYPUTL-OAQYLSRUSA-N 1 1 389.543 4.389 20 0 GIADMO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(c1ccccc1)c1ccccc1 ZINC000457821738 822922711 /nfs/dbraw/zinc/92/27/11/822922711.db2.gz XHULYBWTFONPDL-IRFPFTSISA-N 1 1 377.532 4.131 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1coc(-c2ccccc2)n1 ZINC000175279378 822922763 /nfs/dbraw/zinc/92/27/63/822922763.db2.gz XZEYKMMNJUDVOB-FQEVSTJZSA-N 1 1 389.499 4.326 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc(Cl)ccc1Cl ZINC000175280020 822923072 /nfs/dbraw/zinc/92/30/72/822923072.db2.gz BETMVCNNFLSSLA-INIZCTEOSA-N 1 1 392.330 4.373 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NCc2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000175283476 822923777 /nfs/dbraw/zinc/92/37/77/822923777.db2.gz MFIMUZAWKUUWQP-SJLPKXTDSA-N 1 1 394.544 4.149 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)CC2)[nH+]c1 ZINC000175282779 822923942 /nfs/dbraw/zinc/92/39/42/822923942.db2.gz ARHBWZNNPHSCHN-QFBILLFUSA-N 1 1 382.508 4.135 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)C2)C1 ZINC000457834005 822923996 /nfs/dbraw/zinc/92/39/96/822923996.db2.gz QQJPDPGHJQYAIH-GMAHTHKFSA-N 1 1 381.495 4.042 20 0 GIADMO Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000054948122 822924049 /nfs/dbraw/zinc/92/40/49/822924049.db2.gz GSKIGZRBOMXDHM-DOTOQJQBSA-N 1 1 399.560 4.104 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000186624818 822925452 /nfs/dbraw/zinc/92/54/52/822925452.db2.gz OUDZZELDIDIKFP-IVZQSRNASA-N 1 1 381.451 4.161 20 0 GIADMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000569467220 822926700 /nfs/dbraw/zinc/92/67/00/822926700.db2.gz ZHGSOTYDKOZRCO-AEFFLSMTSA-N 1 1 378.476 4.156 20 0 GIADMO CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175294495 822927096 /nfs/dbraw/zinc/92/70/96/822927096.db2.gz NVIJAMHGEYQJKF-MSOLQXFVSA-N 1 1 379.595 4.031 20 0 GIADMO Cc1nc(CCCC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000175294471 822927106 /nfs/dbraw/zinc/92/71/06/822927106.db2.gz CAFGQQNPCFLFKZ-UHFFFAOYSA-N 1 1 391.968 4.162 20 0 GIADMO Cc1nc(CCCC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000175294471 822927108 /nfs/dbraw/zinc/92/71/08/822927108.db2.gz CAFGQQNPCFLFKZ-UHFFFAOYSA-N 1 1 391.968 4.162 20 0 GIADMO CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000175294749 822927148 /nfs/dbraw/zinc/92/71/48/822927148.db2.gz ZQZRENRIMAUNBJ-ZWKOTPCHSA-N 1 1 393.622 4.421 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H](C)c3ccc(Cl)s3)CC2)cc1 ZINC000175294369 822927208 /nfs/dbraw/zinc/92/72/08/822927208.db2.gz VTCWJWSHORJPTF-OAHLLOKOSA-N 1 1 392.952 4.248 20 0 GIADMO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000569480563 822927986 /nfs/dbraw/zinc/92/79/86/822927986.db2.gz SYZZONSKFVOHSW-HNNXBMFYSA-N 1 1 395.334 4.347 20 0 GIADMO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)c(F)cn1 ZINC000569495546 822929666 /nfs/dbraw/zinc/92/96/66/822929666.db2.gz NXOZOQMSFZTQJP-MRXNPFEDSA-N 1 1 392.478 4.038 20 0 GIADMO COCC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@H](C)c1ccccc1 ZINC000569520566 822933872 /nfs/dbraw/zinc/93/38/72/822933872.db2.gz MMGJBZOGNVBTRJ-HXUWFJFHSA-N 1 1 395.547 4.243 20 0 GIADMO COCC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)[C@H](C)c1ccccc1 ZINC000569520566 822933876 /nfs/dbraw/zinc/93/38/76/822933876.db2.gz MMGJBZOGNVBTRJ-HXUWFJFHSA-N 1 1 395.547 4.243 20 0 GIADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000175319356 822933925 /nfs/dbraw/zinc/93/39/25/822933925.db2.gz MVNMWBBYTLTLKN-UHFFFAOYSA-N 1 1 389.499 4.178 20 0 GIADMO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(-c2ccccc2Cl)o1 ZINC000569531945 822935381 /nfs/dbraw/zinc/93/53/81/822935381.db2.gz QDCBHEOONYZHAB-UHFFFAOYSA-N 1 1 375.944 4.058 20 0 GIADMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(-c2ccccc2Cl)o1 ZINC000569531945 822935384 /nfs/dbraw/zinc/93/53/84/822935384.db2.gz QDCBHEOONYZHAB-UHFFFAOYSA-N 1 1 375.944 4.058 20 0 GIADMO O=C(CC[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccccc1C(F)(F)F ZINC000186699010 822940101 /nfs/dbraw/zinc/94/01/01/822940101.db2.gz XHRQYXCGRDLAGA-HXUWFJFHSA-N 1 1 390.405 4.165 20 0 GIADMO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cccc1-c1ncco1 ZINC000569561827 822940333 /nfs/dbraw/zinc/94/03/33/822940333.db2.gz KIUUCCNIOQFSAT-PMACEKPBSA-N 1 1 376.460 4.217 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457939336 822940746 /nfs/dbraw/zinc/94/07/46/822940746.db2.gz POXUCTKBGMAAGA-AEFFLSMTSA-N 1 1 386.565 4.304 20 0 GIADMO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457939338 822940765 /nfs/dbraw/zinc/94/07/65/822940765.db2.gz POXUCTKBGMAAGA-SJLPKXTDSA-N 1 1 386.565 4.304 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(Br)co3)C2)s1 ZINC000569583223 822942179 /nfs/dbraw/zinc/94/21/79/822942179.db2.gz LLRUHBZQCPCRSU-CYBMUJFWSA-N 1 1 397.338 4.006 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186712338 822942533 /nfs/dbraw/zinc/94/25/33/822942533.db2.gz AKXHGYDALCKJOI-QFIPXVFZSA-N 1 1 378.497 4.450 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)cs2)c1 ZINC000186712338 822942536 /nfs/dbraw/zinc/94/25/36/822942536.db2.gz AKXHGYDALCKJOI-QFIPXVFZSA-N 1 1 378.497 4.450 20 0 GIADMO Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000569596614 822943221 /nfs/dbraw/zinc/94/32/21/822943221.db2.gz KMOFBFXLQPVORK-UHFFFAOYSA-N 1 1 383.536 4.301 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000186719730 822944182 /nfs/dbraw/zinc/94/41/82/822944182.db2.gz DOBWYBNIHXSWAL-UHFFFAOYSA-N 1 1 394.544 4.021 20 0 GIADMO C[C@@H](Nc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569625954 822946559 /nfs/dbraw/zinc/94/65/59/822946559.db2.gz WVBRSYFTAQOTQI-KNQAVFIVSA-N 1 1 377.532 4.245 20 0 GIADMO C[C@H](C[NH+]1CCCCCC1)N[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000186737641 822947856 /nfs/dbraw/zinc/94/78/56/822947856.db2.gz BVLWPQRLSSUKFL-JKSUJKDBSA-N 1 1 385.474 4.277 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1)C1CCCCC1 ZINC000055252150 822947985 /nfs/dbraw/zinc/94/79/85/822947985.db2.gz BJLJQGWSSHIOGU-QFIPXVFZSA-N 1 1 392.499 4.171 20 0 GIADMO CCc1sc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1Br ZINC000569680661 822954666 /nfs/dbraw/zinc/95/46/66/822954666.db2.gz OYLGRJAHAZXWPW-GFCCVEGCSA-N 1 1 385.371 4.019 20 0 GIADMO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186793053 822956191 /nfs/dbraw/zinc/95/61/91/822956191.db2.gz CQMPKKZSROUOOC-UHFFFAOYSA-N 1 1 382.291 4.123 20 0 GIADMO CC[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccncc1 ZINC000175393395 822957120 /nfs/dbraw/zinc/95/71/20/822957120.db2.gz BFBXQYJLCUCINK-PGRDOPGGSA-N 1 1 380.536 4.407 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)NC(c1ccccc1)c1ccccc1 ZINC000569719383 822958582 /nfs/dbraw/zinc/95/85/82/822958582.db2.gz FGPOGPDEGJGKSH-DHIUTWEWSA-N 1 1 392.543 4.173 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186808651 822958880 /nfs/dbraw/zinc/95/88/80/822958880.db2.gz PFXQJDAVCHBDFT-KRWDZBQOSA-N 1 1 376.566 4.043 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Cl)s2)CC[N@H+]1Cc1ccccc1 ZINC000175400178 822959434 /nfs/dbraw/zinc/95/94/34/822959434.db2.gz YHILXZUDWDRJJB-ZBFHGGJFSA-N 1 1 377.941 4.254 20 0 GIADMO CCOc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000175402698 822960192 /nfs/dbraw/zinc/96/01/92/822960192.db2.gz QIZJAVPLJDTJGC-DLBZAZTESA-N 1 1 377.504 4.343 20 0 GIADMO CC(C)CNC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175405884 822961097 /nfs/dbraw/zinc/96/10/97/822961097.db2.gz VEOQNPMTHPODCS-CRYYWNKWSA-N 1 1 386.561 4.003 20 0 GIADMO CC(C)CNC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000175405884 822961099 /nfs/dbraw/zinc/96/10/99/822961099.db2.gz VEOQNPMTHPODCS-CRYYWNKWSA-N 1 1 386.561 4.003 20 0 GIADMO COC(=O)c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(OC)cc2)cn1C ZINC000569741192 822961666 /nfs/dbraw/zinc/96/16/66/822961666.db2.gz NMWLUXWLGWBPHJ-UHFFFAOYSA-N 1 1 378.472 4.023 20 0 GIADMO COc1cc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000186832941 822963979 /nfs/dbraw/zinc/96/39/79/822963979.db2.gz KNRAFKPFOMUORQ-KRWDZBQOSA-N 1 1 385.483 4.271 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1)c1ccccc1Cl ZINC000569754941 822964084 /nfs/dbraw/zinc/96/40/84/822964084.db2.gz XKLKNIRIKXSQLC-FQEVSTJZSA-N 1 1 384.907 4.472 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2nnc(C(C)(C)C)s2)[C@H]1c1cccs1 ZINC000175422359 822964833 /nfs/dbraw/zinc/96/48/33/822964833.db2.gz TXBZGIRYEQDZHN-JSGCOSHPSA-N 1 1 393.582 4.102 20 0 GIADMO C[N@@H+](CCNC(=O)Nc1ccccc1CC(F)(F)F)Cc1ccc(F)cc1 ZINC000175433446 822967601 /nfs/dbraw/zinc/96/76/01/822967601.db2.gz SAPWQOKPFBZZCC-UHFFFAOYSA-N 1 1 383.389 4.184 20 0 GIADMO CCC1(CC)CN(C(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)C1 ZINC000458201038 822968157 /nfs/dbraw/zinc/96/81/57/822968157.db2.gz PMRBPFTYWLLTIO-UHFFFAOYSA-N 1 1 396.535 4.138 20 0 GIADMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186853363 822968234 /nfs/dbraw/zinc/96/82/34/822968234.db2.gz BOOOVPFKYJASTE-OALUTQOASA-N 1 1 392.446 4.401 20 0 GIADMO N#Cc1ccc([C@@H](O)C[N@H+]2CCSC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000186853363 822968237 /nfs/dbraw/zinc/96/82/37/822968237.db2.gz BOOOVPFKYJASTE-OALUTQOASA-N 1 1 392.446 4.401 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000569805102 822971439 /nfs/dbraw/zinc/97/14/39/822971439.db2.gz CULXXQFQMIUXGZ-MNOVXSKESA-N 1 1 378.263 4.317 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000175460227 822974246 /nfs/dbraw/zinc/97/42/46/822974246.db2.gz ZTDBSPFSHWMPSW-NRFANRHFSA-N 1 1 379.508 4.390 20 0 GIADMO C[N@@H+](CCCCNC(=O)NC1(c2cccc(Br)c2)CCC1)C1CC1 ZINC000458263819 822975307 /nfs/dbraw/zinc/97/53/07/822975307.db2.gz LTIQGUIHWFJNDQ-UHFFFAOYSA-N 1 1 394.357 4.002 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000175464847 822975664 /nfs/dbraw/zinc/97/56/64/822975664.db2.gz ZYJJKWZYVBEOHY-QHCPKHFHSA-N 1 1 388.515 4.481 20 0 GIADMO CC[C@@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2ccccc2)c[nH]1 ZINC000569865056 822978083 /nfs/dbraw/zinc/97/80/83/822978083.db2.gz TXXFWBUPSOCXBS-LEWJYISDSA-N 1 1 388.515 4.166 20 0 GIADMO COC(=O)Cc1cccc(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000186909983 822978316 /nfs/dbraw/zinc/97/83/16/822978316.db2.gz JTTQEEGATJSQSS-KRWDZBQOSA-N 1 1 380.488 4.029 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 ZINC000175483348 822980095 /nfs/dbraw/zinc/98/00/95/822980095.db2.gz LSJZETPQGBTFDF-INIZCTEOSA-N 1 1 386.471 4.385 20 0 GIADMO O=C(Nc1cccc(Cl)c1F)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000569891828 822981442 /nfs/dbraw/zinc/98/14/42/822981442.db2.gz QUUXPTPAXVPVIB-SJORKVTESA-N 1 1 387.886 4.465 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ncc(Br)cc1F ZINC000186954417 822986230 /nfs/dbraw/zinc/98/62/30/822986230.db2.gz GCNOSWWZZIHISY-CYBMUJFWSA-N 1 1 389.272 4.079 20 0 GIADMO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000569932582 822987213 /nfs/dbraw/zinc/98/72/13/822987213.db2.gz HAJJIAUFFQBAHS-PTAUBWNISA-N 1 1 380.319 4.424 20 0 GIADMO COc1ccc(C2(C(=O)N(C)CCC[N@@H+](C)Cc3ccco3)CCCC2)cc1 ZINC000569951462 822989281 /nfs/dbraw/zinc/98/92/81/822989281.db2.gz DPNCEHFFNKWJDW-UHFFFAOYSA-N 1 1 384.520 4.081 20 0 GIADMO O=C(c1ccc(SC(F)F)cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000055643596 822991260 /nfs/dbraw/zinc/99/12/60/822991260.db2.gz LQWYIIFWLMHHSR-UHFFFAOYSA-N 1 1 382.501 4.063 20 0 GIADMO COc1ncccc1CC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000570014565 822997050 /nfs/dbraw/zinc/99/70/50/822997050.db2.gz AMLDKRZRXUBAQB-FQEVSTJZSA-N 1 1 386.455 4.062 20 0 GIADMO CC(=O)Nc1sc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)nc1-c1ccccc1 ZINC000187017053 822998337 /nfs/dbraw/zinc/99/83/37/822998337.db2.gz RGPXVVVTMJNRNK-SFHVURJKSA-N 1 1 394.500 4.010 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2ccc([NH+]3CCC(C)CC3)cc2)c1 ZINC000055684764 822998665 /nfs/dbraw/zinc/99/86/65/822998665.db2.gz GANBQGGBBBOWBH-QGZVFWFLSA-N 1 1 394.519 4.320 20 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ZINC000570063118 823002082 /nfs/dbraw/zinc/00/20/82/823002082.db2.gz NVGHPLCYIHOFAO-YADHBBJMSA-N 1 1 382.504 4.122 20 0 GIADMO Cc1cc(N2CCC(NC(=O)N[C@@H](CC(C)C)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000175596578 823004125 /nfs/dbraw/zinc/00/41/25/823004125.db2.gz HIBGUUGHLLIGJY-NRFANRHFSA-N 1 1 395.551 4.149 20 0 GIADMO COc1c(Br)cccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000187085071 823008599 /nfs/dbraw/zinc/00/85/99/823008599.db2.gz LXLPFJCUIYNSHT-KRWDZBQOSA-N 1 1 398.341 4.008 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1sc2ccccc2c1Br ZINC000570135208 823009083 /nfs/dbraw/zinc/00/90/83/823009083.db2.gz JYZZEISDLZCTQQ-OLZOCXBDSA-N 1 1 379.323 4.020 20 0 GIADMO CCOc1ccccc1CN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175629721 823009658 /nfs/dbraw/zinc/00/96/58/823009658.db2.gz ZPRICEQRDVSQLD-KNQAVFIVSA-N 1 1 395.547 4.280 20 0 GIADMO COc1c(Br)cccc1C[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000187092753 823009758 /nfs/dbraw/zinc/00/97/58/823009758.db2.gz BQSBXATYPDAHKN-UHFFFAOYSA-N 1 1 391.309 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ZINC000411303835 823563565 /nfs/dbraw/zinc/56/35/65/823563565.db2.gz HNENUMCDVPQNJU-REWPJTCUSA-N 1 1 393.575 4.087 20 0 GIADMO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000411310125 823563785 /nfs/dbraw/zinc/56/37/85/823563785.db2.gz TZRHPOSEBOYEKQ-CYBMUJFWSA-N 1 1 397.466 4.225 20 0 GIADMO CC[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H](COC)Cc1ccccc1 ZINC000411311863 823563985 /nfs/dbraw/zinc/56/39/85/823563985.db2.gz YGCIPBZLOSMIGF-QGZVFWFLSA-N 1 1 385.895 4.068 20 0 GIADMO CC[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)[C@@H](COC)Cc1ccccc1 ZINC000411311863 823563986 /nfs/dbraw/zinc/56/39/86/823563986.db2.gz YGCIPBZLOSMIGF-QGZVFWFLSA-N 1 1 385.895 4.068 20 0 GIADMO CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)cs1 ZINC000411330238 823564835 /nfs/dbraw/zinc/56/48/35/823564835.db2.gz KSBLHLSNYGKRCZ-RYGJVYDSSA-N 1 1 389.540 4.053 20 0 GIADMO O=C(CC[N@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1Br ZINC000411338286 823565237 /nfs/dbraw/zinc/56/52/37/823565237.db2.gz VJMUFQHYWBQFAC-UHFFFAOYSA-N 1 1 393.247 4.442 20 0 GIADMO CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000461048221 823565409 /nfs/dbraw/zinc/56/54/09/823565409.db2.gz UTJBFKMRNZXXCL-QGZVFWFLSA-N 1 1 393.535 4.138 20 0 GIADMO O=C(COc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCCC1 ZINC000124085988 823566286 /nfs/dbraw/zinc/56/62/86/823566286.db2.gz VFEGZPPXIUROAK-NRFANRHFSA-N 1 1 382.479 4.164 20 0 GIADMO COc1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1OC(F)F ZINC000060935088 823567969 /nfs/dbraw/zinc/56/79/69/823567969.db2.gz XGFSXNJEWPPZCR-VMPITWQZSA-N 1 1 388.458 4.128 20 0 GIADMO CC(C)[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000411390167 823569075 /nfs/dbraw/zinc/56/90/75/823569075.db2.gz OCZDYCDNFQJTHX-UHFFFAOYSA-N 1 1 380.532 4.172 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)Cc1c(F)c(F)c(Br)c(F)c1F ZINC000411393056 823569400 /nfs/dbraw/zinc/56/94/00/823569400.db2.gz ACLLVJIUZBMMCE-UHFFFAOYSA-N 1 1 394.210 4.033 20 0 GIADMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000411395632 823569869 /nfs/dbraw/zinc/56/98/69/823569869.db2.gz DBUSVTKRSKDDJK-HXOBKFHXSA-N 1 1 395.524 4.262 20 0 GIADMO C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1Cc1ccc(S(C)(=O)=O)o1 ZINC000411395632 823569872 /nfs/dbraw/zinc/56/98/72/823569872.db2.gz DBUSVTKRSKDDJK-HXOBKFHXSA-N 1 1 395.524 4.262 20 0 GIADMO FC(F)COc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124128230 823569933 /nfs/dbraw/zinc/56/99/33/823569933.db2.gz GJXLWEQGVNAZOV-KRWDZBQOSA-N 1 1 390.478 4.028 20 0 GIADMO O=C1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(Br)c3)CC[C@H]2N1C1CC1 ZINC000411399997 823570447 /nfs/dbraw/zinc/57/04/47/823570447.db2.gz SPMHOLXSMBOFCO-SUMWQHHRSA-N 1 1 397.744 4.078 20 0 GIADMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(Br)c3)CC[C@H]2N1C1CC1 ZINC000411399997 823570448 /nfs/dbraw/zinc/57/04/48/823570448.db2.gz SPMHOLXSMBOFCO-SUMWQHHRSA-N 1 1 397.744 4.078 20 0 GIADMO CC(C)[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)Cc1cccnc1 ZINC000411409749 823571167 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GIADMO O=C(CC[N@H+](CC(F)F)CC1CCC1)Nc1ccccc1Br ZINC000411419541 823572077 /nfs/dbraw/zinc/57/20/77/823572077.db2.gz SVQBIZWUYSDLBZ-UHFFFAOYSA-N 1 1 375.257 4.145 20 0 GIADMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@H](c1ccccc1)[NH+](C)C ZINC000061012464 823572716 /nfs/dbraw/zinc/57/27/16/823572716.db2.gz KFVINGTXTURAAZ-HXUWFJFHSA-N 1 1 386.902 4.366 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000061013964 823572991 /nfs/dbraw/zinc/57/29/91/823572991.db2.gz KILOUPDSVCLZHC-LJQANCHMSA-N 1 1 384.911 4.354 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCOC1CCCC1 ZINC000061017164 823573306 /nfs/dbraw/zinc/57/33/06/823573306.db2.gz JRNOBGRMMHTQSW-LJQANCHMSA-N 1 1 387.568 4.210 20 0 GIADMO C[C@H](c1ccncc1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000411430959 823573400 /nfs/dbraw/zinc/57/34/00/823573400.db2.gz YYLRCAYVASYJOR-ZIAGYGMSSA-N 1 1 381.549 4.029 20 0 GIADMO c1ccc(-c2cccc(C[N@H+]3CCC[C@H](c4nnc5n4CCCCC5)C3)c2)nc1 ZINC000124170167 823574061 /nfs/dbraw/zinc/57/40/61/823574061.db2.gz JAYLZCKMMMIVOF-NRFANRHFSA-N 1 1 387.531 4.446 20 0 GIADMO Cc1c(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000124168826 823574118 /nfs/dbraw/zinc/57/41/18/823574118.db2.gz YCOVCRITZCGWRJ-NRFANRHFSA-N 1 1 381.907 4.475 20 0 GIADMO CCCOc1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000124179022 823575045 /nfs/dbraw/zinc/57/50/45/823575045.db2.gz GXDYMMHSQJIGHG-LJQANCHMSA-N 1 1 398.551 4.182 20 0 GIADMO COc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)c1OC ZINC000190449483 823576014 /nfs/dbraw/zinc/57/60/14/823576014.db2.gz GVCRVQWZXPMLBI-LBPRGKRZSA-N 1 1 380.282 4.326 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1Br)Cc1c[nH]c2ccccc12 ZINC000190454257 823576720 /nfs/dbraw/zinc/57/67/20/823576720.db2.gz NOKVNTCZJQYXBZ-UHFFFAOYSA-N 1 1 386.293 4.391 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccnn2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000190459124 823577417 /nfs/dbraw/zinc/57/74/17/823577417.db2.gz ZEKLIXDJHNEHBA-IEBWSBKVSA-N 1 1 383.540 4.155 20 0 GIADMO O=c1[nH]c(C[NH2+]C2(c3ccccc3)CCCC2)nc2c1cnn2-c1ccccc1 ZINC000411463488 823577534 /nfs/dbraw/zinc/57/75/34/823577534.db2.gz RTPIFQPWGUALBU-UHFFFAOYSA-N 1 1 385.471 4.080 20 0 GIADMO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC000411467733 823578288 /nfs/dbraw/zinc/57/82/88/823578288.db2.gz BTRRCDYJEHCCHM-MRXNPFEDSA-N 1 1 385.913 4.222 20 0 GIADMO C[S@](=O)C[C@H]([NH2+]Cc1cccc(Br)c1Cl)c1ccccc1 ZINC000411469742 823578515 /nfs/dbraw/zinc/57/85/15/823578515.db2.gz HKKIPUMFIANEBV-BTYIYWSLSA-N 1 1 386.742 4.312 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCc3c(O)cccc32)CC[N@H+]1Cc1ccccc1 ZINC000190470612 823578625 /nfs/dbraw/zinc/57/86/25/823578625.db2.gz LSDLOZYNGDBXQZ-KKLQWCBXSA-N 1 1 392.543 4.324 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(N)nc(N(C)C)n1)c1ccccc1-c1ccc(Cl)cc1 ZINC000411472928 823578898 /nfs/dbraw/zinc/57/88/98/823578898.db2.gz URHYZQPMLMCMQU-KGLIPLIRSA-N 1 1 396.926 4.082 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)C1 ZINC000124228233 823579166 /nfs/dbraw/zinc/57/91/66/823579166.db2.gz GUVMVBLNLDDAEG-KRWDZBQOSA-N 1 1 399.560 4.098 20 0 GIADMO Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc12 ZINC000124229034 823579242 /nfs/dbraw/zinc/57/92/42/823579242.db2.gz PSKROWSQYMBUTG-QAPCUYQASA-N 1 1 396.560 4.009 20 0 GIADMO O[C@H](C[NH2+]Cc1csc(-c2ccccn2)n1)c1c(Cl)cccc1Cl ZINC000124248864 823580921 /nfs/dbraw/zinc/58/09/21/823580921.db2.gz NYBWUEOIFLGEBM-OAHLLOKOSA-N 1 1 380.300 4.335 20 0 GIADMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)(C)C)cc2)C1 ZINC000190503764 823581694 /nfs/dbraw/zinc/58/16/94/823581694.db2.gz JGVFBRCVMMQJLM-IBGZPJMESA-N 1 1 396.535 4.245 20 0 GIADMO C[C@@H]1COc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411506838 823582229 /nfs/dbraw/zinc/58/22/29/823582229.db2.gz QRNSFUCIHZJWMR-CQSZACIVSA-N 1 1 389.293 4.061 20 0 GIADMO CC(=O)Nc1cc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc(C(F)(F)F)c1 ZINC000124266886 823582339 /nfs/dbraw/zinc/58/23/39/823582339.db2.gz CDWXJLRZEDHLEN-CQSZACIVSA-N 1 1 399.457 4.048 20 0 GIADMO Cc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061187907 823582833 /nfs/dbraw/zinc/58/28/33/823582833.db2.gz QDIQXIWWKLWQLM-HSALFYBXSA-N 1 1 395.547 4.165 20 0 GIADMO Cc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000061187907 823582837 /nfs/dbraw/zinc/58/28/37/823582837.db2.gz QDIQXIWWKLWQLM-HSALFYBXSA-N 1 1 395.547 4.165 20 0 GIADMO C[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514755 823583305 /nfs/dbraw/zinc/58/33/05/823583305.db2.gz GRIDNLJFPSAIIK-NVXWUHKLSA-N 1 1 388.943 4.175 20 0 GIADMO C[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514755 823583310 /nfs/dbraw/zinc/58/33/10/823583310.db2.gz GRIDNLJFPSAIIK-NVXWUHKLSA-N 1 1 388.943 4.175 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000411524008 823584534 /nfs/dbraw/zinc/58/45/34/823584534.db2.gz JMWZFRYYXSOCFQ-KBXCAEBGSA-N 1 1 388.309 4.256 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000411526436 823584962 /nfs/dbraw/zinc/58/49/62/823584962.db2.gz NYSHXKYIABHJGK-XXBNENTESA-N 1 1 389.499 4.287 20 0 GIADMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000411526436 823584966 /nfs/dbraw/zinc/58/49/66/823584966.db2.gz NYSHXKYIABHJGK-XXBNENTESA-N 1 1 389.499 4.287 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)sc2C1 ZINC000124298171 823585075 /nfs/dbraw/zinc/58/50/75/823585075.db2.gz FLVNHVXSNXNHHR-UHFFFAOYSA-N 1 1 389.830 4.446 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)sc2C1 ZINC000124298171 823585078 /nfs/dbraw/zinc/58/50/78/823585078.db2.gz FLVNHVXSNXNHHR-UHFFFAOYSA-N 1 1 389.830 4.446 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000124298206 823585119 /nfs/dbraw/zinc/58/51/19/823585119.db2.gz ONLCNQHVCROETK-IAGOWNOFSA-N 1 1 380.602 4.398 20 0 GIADMO C[C@H]1C[C@H](NC(=O)N2CCC(c3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000190552784 823585609 /nfs/dbraw/zinc/58/56/09/823585609.db2.gz KAXAKYWLAZLKDS-WMZHIEFXSA-N 1 1 392.547 4.024 20 0 GIADMO Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000411535014 823585717 /nfs/dbraw/zinc/58/57/17/823585717.db2.gz PONDZUXDWQMPHL-CYBMUJFWSA-N 1 1 386.402 4.003 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)C1 ZINC000124314953 823586569 /nfs/dbraw/zinc/58/65/69/823586569.db2.gz BVFPFWJLXHZHQR-QGZVFWFLSA-N 1 1 399.560 4.098 20 0 GIADMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000061255544 823587710 /nfs/dbraw/zinc/58/77/10/823587710.db2.gz JVWQBGJIMVOOPA-MRXNPFEDSA-N 1 1 376.447 4.248 20 0 GIADMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553278 823587835 /nfs/dbraw/zinc/58/78/35/823587835.db2.gz QVUPQYZEWFBSEU-XLIONFOSSA-N 1 1 385.939 4.169 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCCn1ccc2ccccc21 ZINC000061262100 823588322 /nfs/dbraw/zinc/58/83/22/823588322.db2.gz OMVWWDVBUPYFFE-UHFFFAOYSA-N 1 1 392.547 4.371 20 0 GIADMO O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061285120 823589295 /nfs/dbraw/zinc/58/92/95/823589295.db2.gz ZDBIJSINZITVMO-UHFFFAOYSA-N 1 1 394.462 4.435 20 0 GIADMO CC(C)(C)c1ncc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)s1 ZINC000061284759 823589353 /nfs/dbraw/zinc/58/93/53/823589353.db2.gz BMMAPOWMMLJRKV-UHFFFAOYSA-N 1 1 375.563 4.242 20 0 GIADMO O=C(CCCOCCc1ccccc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061284849 823589357 /nfs/dbraw/zinc/58/93/57/823589357.db2.gz ZSPHYMKEADOVST-UHFFFAOYSA-N 1 1 398.572 4.213 20 0 GIADMO CN(Cc1ccco1)C(=O)C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000411619463 823591369 /nfs/dbraw/zinc/59/13/69/823591369.db2.gz CCYDNETVMYGBSM-UHFFFAOYSA-N 1 1 386.801 4.189 20 0 GIADMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000411639421 823593108 /nfs/dbraw/zinc/59/31/08/823593108.db2.gz FITYGBUGNVDBNG-HOCLYGCPSA-N 1 1 383.517 4.047 20 0 GIADMO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1noc(-c2ccccc2)n1 ZINC000124408404 823594165 /nfs/dbraw/zinc/59/41/65/823594165.db2.gz CHSXGKAPAWCWSR-KRWDZBQOSA-N 1 1 391.519 4.122 20 0 GIADMO COC(=O)c1cc(C[N@H+](CCc2ccccn2)Cc2ccc(OC)cc2)cs1 ZINC000411672690 823596317 /nfs/dbraw/zinc/59/63/17/823596317.db2.gz VKCFVDIVFQDBFN-UHFFFAOYSA-N 1 1 396.512 4.183 20 0 GIADMO COC(=O)c1cc(C[N@@H+](CCc2ccccn2)Cc2ccc(OC)cc2)cs1 ZINC000411672690 823596321 /nfs/dbraw/zinc/59/63/21/823596321.db2.gz VKCFVDIVFQDBFN-UHFFFAOYSA-N 1 1 396.512 4.183 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+][C@H](CCOC)c2ccc(Cl)c(Cl)c2)nc1 ZINC000411704410 823598267 /nfs/dbraw/zinc/59/82/67/823598267.db2.gz UFEHWXKWDYSHOC-GOSISDBHSA-N 1 1 397.302 4.433 20 0 GIADMO O=C(CC[N@H+]1CCCC[C@H]1c1cc[nH]n1)N[C@H](c1cccs1)c1ccccc1 ZINC000411715418 823599010 /nfs/dbraw/zinc/59/90/10/823599010.db2.gz BRLYZZJFMQXHTQ-UGKGYDQZSA-N 1 1 394.544 4.294 20 0 GIADMO CC(C)Oc1cccc([C@@H](C)NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000061501597 823600012 /nfs/dbraw/zinc/60/00/12/823600012.db2.gz OSGTUTOKIPSUFB-LJQANCHMSA-N 1 1 383.536 4.356 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000411732046 823600784 /nfs/dbraw/zinc/60/07/84/823600784.db2.gz MUKBEGGWJRAXEV-FQEVSTJZSA-N 1 1 392.503 4.436 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000411732046 823600785 /nfs/dbraw/zinc/60/07/85/823600785.db2.gz MUKBEGGWJRAXEV-FQEVSTJZSA-N 1 1 392.503 4.436 20 0 GIADMO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000411732046 823600786 /nfs/dbraw/zinc/60/07/86/823600786.db2.gz MUKBEGGWJRAXEV-FQEVSTJZSA-N 1 1 392.503 4.436 20 0 GIADMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000411730741 823600802 /nfs/dbraw/zinc/60/08/02/823600802.db2.gz IYUBZEAIOUBXRH-LJQANCHMSA-N 1 1 398.894 4.391 20 0 GIADMO CC[C@@H](NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)c1ccccc1 ZINC000411742926 823601518 /nfs/dbraw/zinc/60/15/18/823601518.db2.gz FXQJNPFTHHNNGN-LAUBAEHRSA-N 1 1 393.531 4.253 20 0 GIADMO C[C@H]([NH2+]CCCN1CCN(C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000124514273 823602725 /nfs/dbraw/zinc/60/27/25/823602725.db2.gz CMRBMMWNAMRFFY-ZDUSSCGKSA-N 1 1 397.407 4.012 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3c([O-])ccc(Cl)c3F)cc2)C[C@H](C)O1 ZINC000190730394 823602770 /nfs/dbraw/zinc/60/27/70/823602770.db2.gz YVNKPCMVCOOEEC-GASCZTMLSA-N 1 1 392.902 4.084 20 0 GIADMO Cc1sc(C(C)(C)[NH2+]CC(=O)N2CCCC[C@@H]2C)nc1-c1ccccc1F ZINC000411775095 823604090 /nfs/dbraw/zinc/60/40/90/823604090.db2.gz QUOGUNZMIUMLMS-AWEZNQCLSA-N 1 1 389.540 4.483 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CSCc1cc(-c2cccs2)on1 ZINC000061620033 823606461 /nfs/dbraw/zinc/60/64/61/823606461.db2.gz SYEZJRKXYNVRJO-HNNXBMFYSA-N 1 1 393.578 4.017 20 0 GIADMO CC(C)c1c(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cnn1-c1ccc(F)cc1 ZINC000461261797 823607660 /nfs/dbraw/zinc/60/76/60/823607660.db2.gz HCOBJIFOHOBXGX-SFHVURJKSA-N 1 1 386.515 4.081 20 0 GIADMO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000124574770 823607847 /nfs/dbraw/zinc/60/78/47/823607847.db2.gz CPFHOTLFPLUEKF-ZACQAIPSSA-N 1 1 387.593 4.474 20 0 GIADMO CCCOc1c(Cl)cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1OCC ZINC000461263208 823607974 /nfs/dbraw/zinc/60/79/74/823607974.db2.gz LYMJWTLJIFHAOG-KRWDZBQOSA-N 1 1 396.959 4.474 20 0 GIADMO C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000461265978 823608828 /nfs/dbraw/zinc/60/88/28/823608828.db2.gz PPVRNIYGOXVELK-GDBMZVCRSA-N 1 1 399.398 4.263 20 0 GIADMO COc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc(Cl)c1OCC(C)C ZINC000461269401 823609496 /nfs/dbraw/zinc/60/94/96/823609496.db2.gz WZIVERFDYGISAH-KRWDZBQOSA-N 1 1 396.959 4.330 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)ccc1OCc1ccccc1 ZINC000190796951 823610145 /nfs/dbraw/zinc/61/01/45/823610145.db2.gz IQVWSOJLWQCFGO-KRWDZBQOSA-N 1 1 394.519 4.472 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000461274140 823610674 /nfs/dbraw/zinc/61/06/74/823610674.db2.gz WFBHBTUBGBYTRN-CQSZACIVSA-N 1 1 397.997 4.400 20 0 GIADMO O=C(Cc1nc(C[N@@H+]2CCSC3(CCC3)CC2)cs1)Nc1ccccc1 ZINC000411864433 823611321 /nfs/dbraw/zinc/61/13/21/823611321.db2.gz DWQSRMLOLWFENL-UHFFFAOYSA-N 1 1 387.574 4.186 20 0 GIADMO O=C(Cc1nc(C[N@H+]2CCSC3(CCC3)CC2)cs1)Nc1ccccc1 ZINC000411864433 823611323 /nfs/dbraw/zinc/61/13/23/823611323.db2.gz DWQSRMLOLWFENL-UHFFFAOYSA-N 1 1 387.574 4.186 20 0 GIADMO Cc1[nH+]ccn1CCCCSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000124620421 823611817 /nfs/dbraw/zinc/61/18/17/823611817.db2.gz YLQWZOCABSHUFT-UHFFFAOYSA-N 1 1 378.885 4.379 20 0 GIADMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000461289702 823612226 /nfs/dbraw/zinc/61/22/26/823612226.db2.gz HAXHMMIUGFANOL-HMXCVIKNSA-N 1 1 397.563 4.053 20 0 GIADMO CN(CCCc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789271 823614253 /nfs/dbraw/zinc/61/42/53/823614253.db2.gz GKHGYULLWZLKMT-UHFFFAOYSA-N 1 1 383.561 4.332 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000411923252 823614578 /nfs/dbraw/zinc/61/45/78/823614578.db2.gz KMHRDOVDMBXKGV-VQIMIIECSA-N 1 1 383.289 4.305 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000411919768 823614604 /nfs/dbraw/zinc/61/46/04/823614604.db2.gz BMSVEEKFGMKHTF-CZUORRHYSA-N 1 1 390.270 4.351 20 0 GIADMO O[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000411919768 823614605 /nfs/dbraw/zinc/61/46/05/823614605.db2.gz BMSVEEKFGMKHTF-CZUORRHYSA-N 1 1 390.270 4.351 20 0 GIADMO COc1ccnc(C[NH2+]C2(c3cccc(Br)c3)CCC2)c1OC ZINC000190841136 823615243 /nfs/dbraw/zinc/61/52/43/823615243.db2.gz OFKCFZHEADKRSE-UHFFFAOYSA-N 1 1 377.282 4.030 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000411956629 823616622 /nfs/dbraw/zinc/61/66/22/823616622.db2.gz WIXJJIQCYOMHIO-MOPGFXCFSA-N 1 1 399.288 4.412 20 0 GIADMO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000411956629 823616625 /nfs/dbraw/zinc/61/66/25/823616625.db2.gz WIXJJIQCYOMHIO-MOPGFXCFSA-N 1 1 399.288 4.412 20 0 GIADMO COCc1cccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000061868623 823616999 /nfs/dbraw/zinc/61/69/99/823616999.db2.gz GOCLDCSAZUBBBS-LJQANCHMSA-N 1 1 395.547 4.064 20 0 GIADMO CC(C)Oc1ccc(CCNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000061868984 823617037 /nfs/dbraw/zinc/61/70/37/823617037.db2.gz FLEXGNGKBOBWSQ-UHFFFAOYSA-N 1 1 397.563 4.356 20 0 GIADMO Cc1sc2nc([C@H](C)N3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)[nH]c(=O)c2c1C ZINC000411980471 823617619 /nfs/dbraw/zinc/61/76/19/823617619.db2.gz GSDGVXBAVVAPOP-ZBFHGGJFSA-N 1 1 396.560 4.281 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cn2cc(C)ccc2n1)C(C)C ZINC000411991872 823618835 /nfs/dbraw/zinc/61/88/35/823618835.db2.gz YLMHJKCMNFSQIQ-IBGZPJMESA-N 1 1 399.560 4.015 20 0 GIADMO O=C1[C@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCCN1c1ccccc1 ZINC000411994858 823619114 /nfs/dbraw/zinc/61/91/14/823619114.db2.gz BHNCTBUPSLJBPG-YADHBBJMSA-N 1 1 376.500 4.036 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C ZINC000411997087 823619612 /nfs/dbraw/zinc/61/96/12/823619612.db2.gz IAIYLTPYYBAYLJ-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C ZINC000411997087 823619613 /nfs/dbraw/zinc/61/96/13/823619613.db2.gz IAIYLTPYYBAYLJ-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C ZINC000411997090 823619685 /nfs/dbraw/zinc/61/96/85/823619685.db2.gz IAIYLTPYYBAYLJ-SIKLNZKXSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C ZINC000411997090 823619686 /nfs/dbraw/zinc/61/96/86/823619686.db2.gz IAIYLTPYYBAYLJ-SIKLNZKXSA-N 1 1 378.516 4.484 20 0 GIADMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001479 823620432 /nfs/dbraw/zinc/62/04/32/823620432.db2.gz QBXYSWOYQAJJOU-WMZHIEFXSA-N 1 1 390.527 4.208 20 0 GIADMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001479 823620433 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CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000191084221 823646631 /nfs/dbraw/zinc/64/66/31/823646631.db2.gz MNDDLPPEVJSJJC-HZPDHXFCSA-N 1 1 385.474 4.182 20 0 GIADMO Cc1ccsc1-c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1Cc1cccs1 ZINC000461505872 823650551 /nfs/dbraw/zinc/65/05/51/823650551.db2.gz GUKRVTNCSGCTIK-CVEARBPZSA-N 1 1 399.589 4.098 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)c1 ZINC000191121189 823651251 /nfs/dbraw/zinc/65/12/51/823651251.db2.gz JUIDAIHLYMSUAT-DEOSSOPVSA-N 1 1 392.543 4.350 20 0 GIADMO Cc1c([C@@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)(C)C ZINC000191146727 823653626 /nfs/dbraw/zinc/65/36/26/823653626.db2.gz HBAPRTKXIGCIDW-CEXWTWQISA-N 1 1 398.595 4.407 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H](c1ccccc1)C1CC1 ZINC000125130634 823653804 /nfs/dbraw/zinc/65/38/04/823653804.db2.gz RYUAHGLPVSTOQE-JOCHJYFZSA-N 1 1 384.470 4.239 20 0 GIADMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000191154437 823654411 /nfs/dbraw/zinc/65/44/11/823654411.db2.gz VIKYIUCSNFWZRS-HOTGVXAUSA-N 1 1 383.923 4.472 20 0 GIADMO Cc1ccc(C)c(-n2cnc3cc(C(=O)N(C)[C@@H]4CC[N@H+](C)C[C@@H]4C)ccc32)c1 ZINC000191159889 823654980 /nfs/dbraw/zinc/65/49/80/823654980.db2.gz MZKDNOMIMRYNTJ-GHTZIAJQSA-N 1 1 390.531 4.055 20 0 GIADMO C[C@@H]1CCC[C@H](C)[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000125157150 823655712 /nfs/dbraw/zinc/65/57/12/823655712.db2.gz JUBILSUEECNTPJ-CABCVRRESA-N 1 1 378.563 4.224 20 0 GIADMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000125157150 823655713 /nfs/dbraw/zinc/65/57/13/823655713.db2.gz JUBILSUEECNTPJ-CABCVRRESA-N 1 1 378.563 4.224 20 0 GIADMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(Oc4cccnc4)cc3)CC2)c1 ZINC000063263648 823657999 /nfs/dbraw/zinc/65/79/99/823657999.db2.gz AWYPBCZVHGNPFR-UHFFFAOYSA-N 1 1 387.483 4.140 20 0 GIADMO C[N@H+](Cc1ccco1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000191191387 823658090 /nfs/dbraw/zinc/65/80/90/823658090.db2.gz DCYXVLISSUGISE-MRXNPFEDSA-N 1 1 380.282 4.232 20 0 GIADMO C[N@@H+](Cc1ccco1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000191191387 823658093 /nfs/dbraw/zinc/65/80/93/823658093.db2.gz DCYXVLISSUGISE-MRXNPFEDSA-N 1 1 380.282 4.232 20 0 GIADMO C[N@H+]1CC[C@H](CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)C1 ZINC000191199181 823658576 /nfs/dbraw/zinc/65/85/76/823658576.db2.gz PXNGNZNHDSZUGK-AWEZNQCLSA-N 1 1 385.924 4.027 20 0 GIADMO CCN1CCC([N@H+](C)Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000125218524 823659884 /nfs/dbraw/zinc/65/98/84/823659884.db2.gz FPHOYSDDYRXUTH-UHFFFAOYSA-N 1 1 384.568 4.230 20 0 GIADMO CCN1CCC([N@@H+](C)Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000125218524 823659887 /nfs/dbraw/zinc/65/98/87/823659887.db2.gz FPHOYSDDYRXUTH-UHFFFAOYSA-N 1 1 384.568 4.230 20 0 GIADMO Cc1c(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)sc2cccc(F)c12 ZINC000461562822 823660276 /nfs/dbraw/zinc/66/02/76/823660276.db2.gz DLCLRLPSYVJDAF-OAHLLOKOSA-N 1 1 390.524 4.112 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cnn1C(C)(C)C ZINC000191224159 823660768 /nfs/dbraw/zinc/66/07/68/823660768.db2.gz SSACIBHJHGAAGI-QRVBRYPASA-N 1 1 398.595 4.407 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)OC)c2)cc1)C1CC1 ZINC000412546828 823661185 /nfs/dbraw/zinc/66/11/85/823661185.db2.gz KDCBKYVRSSQJEO-MRXNPFEDSA-N 1 1 380.488 4.200 20 0 GIADMO Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000461586706 823665901 /nfs/dbraw/zinc/66/59/01/823665901.db2.gz LCTKWUOKFCQBJB-OAHLLOKOSA-N 1 1 390.911 4.158 20 0 GIADMO Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000461587707 823666196 /nfs/dbraw/zinc/66/61/96/823666196.db2.gz NEWDFHHVDNKPAE-OAHLLOKOSA-N 1 1 390.911 4.158 20 0 GIADMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000125354457 823670165 /nfs/dbraw/zinc/67/01/65/823670165.db2.gz BPIDAIWKNKYRJB-INIZCTEOSA-N 1 1 397.544 4.089 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2ccccc2)CC1 ZINC000063464356 823673229 /nfs/dbraw/zinc/67/32/29/823673229.db2.gz ROWZMQCVTJYOSS-QFIPXVFZSA-N 1 1 391.559 4.488 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)NCc1ccc(COc2ccccc2)cc1 ZINC000125402430 823673536 /nfs/dbraw/zinc/67/35/36/823673536.db2.gz QWBDJHWNSHFVIK-QHCPKHFHSA-N 1 1 389.499 4.047 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)NCc1ccc(COc2ccccc2)cc1 ZINC000125402430 823673538 /nfs/dbraw/zinc/67/35/38/823673538.db2.gz QWBDJHWNSHFVIK-QHCPKHFHSA-N 1 1 389.499 4.047 20 0 GIADMO CC(=O)c1ccccc1NC(=O)C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000063471060 823674204 /nfs/dbraw/zinc/67/42/04/823674204.db2.gz YKUOIZAQRJHNHB-UHFFFAOYSA-N 1 1 394.421 4.485 20 0 GIADMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1OC(F)F ZINC000125417357 823674547 /nfs/dbraw/zinc/67/45/47/823674547.db2.gz KQBQNSPSSAGYJL-ZDUSSCGKSA-N 1 1 396.409 4.203 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)cc2F)cc1OC(F)F ZINC000125417357 823674549 /nfs/dbraw/zinc/67/45/49/823674549.db2.gz KQBQNSPSSAGYJL-ZDUSSCGKSA-N 1 1 396.409 4.203 20 0 GIADMO C[C@@H](NC(=O)C[N@H+](CCc1ccccc1)Cc1cccnc1)c1cccs1 ZINC000191345664 823674525 /nfs/dbraw/zinc/67/45/25/823674525.db2.gz DTEHLBFYLGXQDT-GOSISDBHSA-N 1 1 379.529 4.065 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](CCc1ccccc1)Cc1cccnc1)c1cccs1 ZINC000191345664 823674529 /nfs/dbraw/zinc/67/45/29/823674529.db2.gz DTEHLBFYLGXQDT-GOSISDBHSA-N 1 1 379.529 4.065 20 0 GIADMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2F)cc1OC(F)F ZINC000125417125 823674562 /nfs/dbraw/zinc/67/45/62/823674562.db2.gz KQBQNSPSSAGYJL-CYBMUJFWSA-N 1 1 396.409 4.203 20 0 GIADMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)cc2F)cc1OC(F)F ZINC000125417125 823674563 /nfs/dbraw/zinc/67/45/63/823674563.db2.gz KQBQNSPSSAGYJL-CYBMUJFWSA-N 1 1 396.409 4.203 20 0 GIADMO Cc1cccc(C[N@H+](Cc2ccccn2)C[C@@H](O)COCc2cccs2)c1 ZINC000125419518 823674607 /nfs/dbraw/zinc/67/46/07/823674607.db2.gz BTLYNYMTHLCMAQ-OAQYLSRUSA-N 1 1 382.529 4.031 20 0 GIADMO Cc1cc(C(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c(C)n1CC(F)(F)F ZINC000125442670 823676515 /nfs/dbraw/zinc/67/65/15/823676515.db2.gz VBXXVPIZMNHOSE-ZDUSSCGKSA-N 1 1 382.426 4.119 20 0 GIADMO Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)n1 ZINC000063501804 823676575 /nfs/dbraw/zinc/67/65/75/823676575.db2.gz OTXNWEQAFXHOHN-HXUWFJFHSA-N 1 1 392.528 4.486 20 0 GIADMO S=c1n(C2CC2)cnn1C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000063506822 823676872 /nfs/dbraw/zinc/67/68/72/823676872.db2.gz XFZWBBJUPGTTHN-UHFFFAOYSA-N 1 1 379.327 4.138 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2s1 ZINC000125456022 823677549 /nfs/dbraw/zinc/67/75/49/823677549.db2.gz DXVYUEDTKWIOQF-GOSISDBHSA-N 1 1 379.529 4.281 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000063660993 823687615 /nfs/dbraw/zinc/68/76/15/823687615.db2.gz PIYKXZLWKUZIOC-BPQIPLTHSA-N 1 1 394.544 4.304 20 0 GIADMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000191482071 823689542 /nfs/dbraw/zinc/68/95/42/823689542.db2.gz SJBMALYETZNPFI-KRWDZBQOSA-N 1 1 394.437 4.224 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000063705557 823690109 /nfs/dbraw/zinc/69/01/09/823690109.db2.gz CPOLLJHHDBTSLH-CYBMUJFWSA-N 1 1 375.365 4.073 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000063710825 823690349 /nfs/dbraw/zinc/69/03/49/823690349.db2.gz QCASCJZZPCKQBA-CQSZACIVSA-N 1 1 389.392 4.463 20 0 GIADMO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000063723446 823691706 /nfs/dbraw/zinc/69/17/06/823691706.db2.gz KVMFOVVWCIVRIB-UHFFFAOYSA-N 1 1 392.543 4.481 20 0 GIADMO Cc1nc2cc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)ccc2n1-c1ccccc1 ZINC000063725030 823691959 /nfs/dbraw/zinc/69/19/59/823691959.db2.gz VZBQDELOPBTPII-UHFFFAOYSA-N 1 1 390.531 4.280 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000063725048 823691999 /nfs/dbraw/zinc/69/19/99/823691999.db2.gz JYGPSRDNZHZGDE-UHFFFAOYSA-N 1 1 391.968 4.339 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)CC1 ZINC000063726424 823692090 /nfs/dbraw/zinc/69/20/90/823692090.db2.gz SKJJOEBYBYGGSV-UHFFFAOYSA-N 1 1 377.488 4.441 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000063726281 823692194 /nfs/dbraw/zinc/69/21/94/823692194.db2.gz QYGWPQLBENALQN-UHFFFAOYSA-N 1 1 393.742 4.358 20 0 GIADMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000461766758 823693369 /nfs/dbraw/zinc/69/33/69/823693369.db2.gz XYADHWNHVYTIFT-JFJDKTSWSA-N 1 1 399.579 4.203 20 0 GIADMO CCc1c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cnn1-c1ccc(C)cc1 ZINC000063758075 823693776 /nfs/dbraw/zinc/69/37/76/823693776.db2.gz URERQAOTVMETGD-IBGZPJMESA-N 1 1 382.552 4.128 20 0 GIADMO COc1ccc(CNC(=O)C[N@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000063762838 823694028 /nfs/dbraw/zinc/69/40/28/823694028.db2.gz DPJUMIYTCAZZAJ-UHFFFAOYSA-N 1 1 386.495 4.254 20 0 GIADMO COc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000063762838 823694030 /nfs/dbraw/zinc/69/40/30/823694030.db2.gz DPJUMIYTCAZZAJ-UHFFFAOYSA-N 1 1 386.495 4.254 20 0 GIADMO CCCOc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1OCCC ZINC000461776530 823694330 /nfs/dbraw/zinc/69/43/30/823694330.db2.gz PIOICJNXDYIOBV-UHFFFAOYSA-N 1 1 387.480 4.100 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1(c2cccc(Br)c2)CC1 ZINC000063771477 823694561 /nfs/dbraw/zinc/69/45/61/823694561.db2.gz OOJSWFAOOVVRBC-UHFFFAOYSA-N 1 1 393.369 4.204 20 0 GIADMO O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000461786567 823695337 /nfs/dbraw/zinc/69/53/37/823695337.db2.gz NRAVPNZUNHDIJJ-UHFFFAOYSA-N 1 1 387.443 4.066 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1c1nc2ccccc2n1CC ZINC000461794102 823696229 /nfs/dbraw/zinc/69/62/29/823696229.db2.gz FONWBKUYEZPMHJ-PXNSSMCTSA-N 1 1 385.556 4.023 20 0 GIADMO CC[C@H](c1nnc(SCCC(C)(C)OC)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000412981347 823696705 /nfs/dbraw/zinc/69/67/05/823696705.db2.gz GXZTXQYCGMXBGB-QGZVFWFLSA-N 1 1 392.569 4.196 20 0 GIADMO COc1ccccc1Oc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000461798719 823697025 /nfs/dbraw/zinc/69/70/25/823697025.db2.gz WNCVREICGSULQM-UHFFFAOYSA-N 1 1 393.443 4.324 20 0 GIADMO Cc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537544 823697383 /nfs/dbraw/zinc/69/73/83/823697383.db2.gz CWKDSCYTZRGHKX-QFBILLFUSA-N 1 1 388.353 4.153 20 0 GIADMO Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1Br ZINC000191537544 823697384 /nfs/dbraw/zinc/69/73/84/823697384.db2.gz CWKDSCYTZRGHKX-QFBILLFUSA-N 1 1 388.353 4.153 20 0 GIADMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000163310299 823700875 /nfs/dbraw/zinc/70/08/75/823700875.db2.gz BYUGTIUKEDHJGV-NHCUHLMSSA-N 1 1 398.497 4.439 20 0 GIADMO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000574317679 823701783 /nfs/dbraw/zinc/70/17/83/823701783.db2.gz ZHKPNUSKQHKXPY-RHSMWYFYSA-N 1 1 396.491 4.161 20 0 GIADMO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000574317679 823701784 /nfs/dbraw/zinc/70/17/84/823701784.db2.gz ZHKPNUSKQHKXPY-RHSMWYFYSA-N 1 1 396.491 4.161 20 0 GIADMO C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)c1nc(C(C)(C)C)no1 ZINC000191574534 823702569 /nfs/dbraw/zinc/70/25/69/823702569.db2.gz ZQBRXKHYBLRGOH-CYBMUJFWSA-N 1 1 394.922 4.475 20 0 GIADMO Oc1ccc(Cl)c(F)c1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000191585880 823704664 /nfs/dbraw/zinc/70/46/64/823704664.db2.gz UGMZZHATVUKGDM-UHFFFAOYSA-N 1 1 379.794 4.096 20 0 GIADMO CC1(C)c2ccccc2CC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000574346352 823705631 /nfs/dbraw/zinc/70/56/31/823705631.db2.gz IBUJKRXYCZIWJQ-UHFFFAOYSA-N 1 1 377.513 4.202 20 0 GIADMO CC1(C)c2ccccc2CC[N@@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000574346352 823705633 /nfs/dbraw/zinc/70/56/33/823705633.db2.gz IBUJKRXYCZIWJQ-UHFFFAOYSA-N 1 1 377.513 4.202 20 0 GIADMO CCC[N@@H+](Cc1nc2ccc(F)cc2o1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000163388208 823705895 /nfs/dbraw/zinc/70/58/95/823705895.db2.gz WVFKDJCSXPTAJB-UHFFFAOYSA-N 1 1 395.478 4.484 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCSC2(CCC2)CC1 ZINC000413097773 823706724 /nfs/dbraw/zinc/70/67/24/823706724.db2.gz PQKVHJARAGWAHR-UHFFFAOYSA-N 1 1 375.582 4.098 20 0 GIADMO COc1ccc(CN(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000413102526 823707253 /nfs/dbraw/zinc/70/72/53/823707253.db2.gz FFGZIWRBOUHKSP-MRXNPFEDSA-N 1 1 381.948 4.145 20 0 GIADMO c1nc(N2CCOCC2)sc1C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000125792700 823711999 /nfs/dbraw/zinc/71/19/99/823711999.db2.gz NQEDLQRZIZTSDZ-JOCHJYFZSA-N 1 1 391.540 4.127 20 0 GIADMO Brc1ccc2[nH]c(C[NH2+]Cc3nccn3-c3ccccc3)cc2c1 ZINC000191611226 823712162 /nfs/dbraw/zinc/71/21/62/823712162.db2.gz JHVHKCZBLKMKMT-UHFFFAOYSA-N 1 1 381.277 4.406 20 0 GIADMO CCc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000191616502 823713850 /nfs/dbraw/zinc/71/38/50/823713850.db2.gz BINHDAZBDBQFLI-GDBMZVCRSA-N 1 1 389.931 4.035 20 0 GIADMO Cc1nc(CC[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cs1 ZINC000125807217 823715708 /nfs/dbraw/zinc/71/57/08/823715708.db2.gz SCIMUBORQYLIAH-UHFFFAOYSA-N 1 1 395.528 4.182 20 0 GIADMO CCC(=O)Nc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000574393425 823718617 /nfs/dbraw/zinc/71/86/17/823718617.db2.gz WLTZNISPWKRLKH-WBDAEOGXSA-N 1 1 377.532 4.320 20 0 GIADMO Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)s1 ZINC000163586875 823725446 /nfs/dbraw/zinc/72/54/46/823725446.db2.gz BPJUGSJXIWOFCC-IBGZPJMESA-N 1 1 399.604 4.454 20 0 GIADMO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000191658316 823725724 /nfs/dbraw/zinc/72/57/24/823725724.db2.gz UTQSZQZBSAQRGO-HNNXBMFYSA-N 1 1 376.250 4.051 20 0 GIADMO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccccc1SC(F)F ZINC000191664466 823726884 /nfs/dbraw/zinc/72/68/84/823726884.db2.gz CQJQPAJACLRVDX-UHFFFAOYSA-N 1 1 377.460 4.214 20 0 GIADMO CC(=O)c1ccccc1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000461869833 823730199 /nfs/dbraw/zinc/73/01/99/823730199.db2.gz FROFMUKXZKNSOC-HDICACEKSA-N 1 1 378.516 4.297 20 0 GIADMO OC[C@H]1CN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CCC1(F)F ZINC000461872174 823731558 /nfs/dbraw/zinc/73/15/58/823731558.db2.gz QQDQYYYJYGDWBA-GFCCVEGCSA-N 1 1 397.263 4.329 20 0 GIADMO CCCOCc1ccccc1C[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000163662141 823734111 /nfs/dbraw/zinc/73/41/11/823734111.db2.gz UTKLDTDNIGEDCO-INIZCTEOSA-N 1 1 382.483 4.492 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)CC1CCCC1 ZINC000064021134 823734887 /nfs/dbraw/zinc/73/48/87/823734887.db2.gz SSKKYTXJSAFIMA-UHFFFAOYSA-N 1 1 383.467 4.139 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2nc(-c3ccccc3)oc2C2CC2)C1 ZINC000163682656 823736006 /nfs/dbraw/zinc/73/60/06/823736006.db2.gz JLLVRZPZIQIHOW-QGZVFWFLSA-N 1 1 381.520 4.317 20 0 GIADMO COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 ZINC000125883565 823736777 /nfs/dbraw/zinc/73/67/77/823736777.db2.gz GRNBYHLTHCCSBC-HNNXBMFYSA-N 1 1 392.446 4.188 20 0 GIADMO CC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064030370 823737389 /nfs/dbraw/zinc/73/73/89/823737389.db2.gz BOKYNMNMINWJJT-KBPBESRZSA-N 1 1 376.722 4.107 20 0 GIADMO CCN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@@H]1CCOC1 ZINC000461885679 823738561 /nfs/dbraw/zinc/73/85/61/823738561.db2.gz SYVHETMEBCVJEG-MRXNPFEDSA-N 1 1 382.533 4.035 20 0 GIADMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(Cl)c3Br)CC[C@@H]21 ZINC000191716330 823744827 /nfs/dbraw/zinc/74/48/27/823744827.db2.gz IGTVUNSSGBILQM-FZMZJTMJSA-N 1 1 386.721 4.051 20 0 GIADMO CSC1(CN[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC[NH+](C)CC1 ZINC000574493016 823747085 /nfs/dbraw/zinc/74/70/85/823747085.db2.gz LKNKMMWOABHKKC-NRFANRHFSA-N 1 1 397.588 4.092 20 0 GIADMO CC[C@@H](CNC(=O)c1sc(C(F)(F)F)nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000461905703 823748030 /nfs/dbraw/zinc/74/80/30/823748030.db2.gz CATWPSHGDAUQPI-HNNXBMFYSA-N 1 1 397.466 4.037 20 0 GIADMO CC[C@@H](CNC(=O)c1sc(C(F)(F)F)nc1C)[N@H+]1CCc2ccccc2C1 ZINC000461905703 823748033 /nfs/dbraw/zinc/74/80/33/823748033.db2.gz CATWPSHGDAUQPI-HNNXBMFYSA-N 1 1 397.466 4.037 20 0 GIADMO CC(C)CN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCc2cccnc21 ZINC000163794783 823749842 /nfs/dbraw/zinc/74/98/42/823749842.db2.gz TXDIJAGAPUEFBI-OTYNDTSQSA-N 1 1 384.568 4.142 20 0 GIADMO CCOc1ccc(-c2csc(NC(=O)c3cc(C[NH+]4CCCC4)on3)n2)cc1 ZINC000461909337 823749846 /nfs/dbraw/zinc/74/98/46/823749846.db2.gz PTTCNDSEMXZRCR-UHFFFAOYSA-N 1 1 398.488 4.045 20 0 GIADMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(Cl)c2Br)C1 ZINC000191734695 823751005 /nfs/dbraw/zinc/75/10/05/823751005.db2.gz NTLXKSBWEKORSR-GFCCVEGCSA-N 1 1 388.737 4.202 20 0 GIADMO COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000574516065 823753398 /nfs/dbraw/zinc/75/33/98/823753398.db2.gz TVEDXGMFMCRFCX-CQSZACIVSA-N 1 1 396.418 4.308 20 0 GIADMO Cn1c2ccccc2nc1[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000125973564 823757342 /nfs/dbraw/zinc/75/73/42/823757342.db2.gz CWZNJHJQOCWEDO-FCHUYYIVSA-N 1 1 393.437 4.264 20 0 GIADMO O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1cc(C[NH+]2CCCC2)on1 ZINC000461925253 823758603 /nfs/dbraw/zinc/75/86/03/823758603.db2.gz CGAYUDWXWQSMMJ-UHFFFAOYSA-N 1 1 385.483 4.041 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)ccc1O ZINC000125981083 823758917 /nfs/dbraw/zinc/75/89/17/823758917.db2.gz NXVWVFRTMUINIL-UHFFFAOYSA-N 1 1 377.444 4.180 20 0 GIADMO C[C@H]1C[C@H](NC(=O)N2CCSC3(CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000413361130 823759673 /nfs/dbraw/zinc/75/96/73/823759673.db2.gz OBNVHNFMDLQFML-AZUAARDMSA-N 1 1 387.593 4.111 20 0 GIADMO O=C(Nc1cccc(OCCc2ccccc2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000461928583 823760881 /nfs/dbraw/zinc/76/08/81/823760881.db2.gz TYGFHWIMIJUSGM-UHFFFAOYSA-N 1 1 391.471 4.144 20 0 GIADMO C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)CN1CCN(C)CC1 ZINC000574554107 823764282 /nfs/dbraw/zinc/76/42/82/823764282.db2.gz YFZMGQPIPOWNGD-STZQEDGTSA-N 1 1 378.004 4.229 20 0 GIADMO COCCOCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000574556853 823765079 /nfs/dbraw/zinc/76/50/79/823765079.db2.gz HOUAHBAVIGRLDX-JOCHJYFZSA-N 1 1 385.504 4.204 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000461945406 823767176 /nfs/dbraw/zinc/76/71/76/823767176.db2.gz CETKLHKOFXTLBW-KRWDZBQOSA-N 1 1 394.441 4.020 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccccc1 ZINC000126019934 823767943 /nfs/dbraw/zinc/76/79/43/823767943.db2.gz SPBRWFKDGBJQRS-VXKWHMMOSA-N 1 1 375.447 4.125 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)[C@H](C)C1 ZINC000191791068 823769040 /nfs/dbraw/zinc/76/90/40/823769040.db2.gz KNBHDVIEUFGQQZ-HIFRSBDPSA-N 1 1 399.520 4.145 20 0 GIADMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000126035828 823771226 /nfs/dbraw/zinc/77/12/26/823771226.db2.gz LZXMJHPBGPRNPE-GCJKJVERSA-N 1 1 378.516 4.115 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cccc(OCC(C)C)c2)c1 ZINC000064227568 823775322 /nfs/dbraw/zinc/77/53/22/823775322.db2.gz LWHGCGYJLNPWMV-UHFFFAOYSA-N 1 1 383.536 4.173 20 0 GIADMO NC(=O)[C@@H]([NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccccc1 ZINC000126052982 823775705 /nfs/dbraw/zinc/77/57/05/823775705.db2.gz RFFZTNIXPUPYGO-WMZOPIPTSA-N 1 1 381.476 4.143 20 0 GIADMO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000191808779 823776970 /nfs/dbraw/zinc/77/69/70/823776970.db2.gz FWLUVQMASHWLSF-HOTGVXAUSA-N 1 1 394.943 4.347 20 0 GIADMO N#Cc1ccc(Br)c(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1 ZINC000191814144 823779108 /nfs/dbraw/zinc/77/91/08/823779108.db2.gz NPKINUUPKVMVIQ-UHFFFAOYSA-N 1 1 389.268 4.255 20 0 GIADMO CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000574608135 823779595 /nfs/dbraw/zinc/77/95/95/823779595.db2.gz LRKUXWOAXXNVTR-MRXNPFEDSA-N 1 1 383.330 4.057 20 0 GIADMO COC(=O)[C@H]1CC[N@@H+](CCSc2ccnc3cc(Cl)ccc32)C[C@@H]1C ZINC000191823957 823784474 /nfs/dbraw/zinc/78/44/74/823784474.db2.gz DCQZTQYOTNBAGL-ZFWWWQNUSA-N 1 1 378.925 4.111 20 0 GIADMO CSCC[C@@H]([NH2+][C@H]1CCSc2ccc(F)cc21)c1nnc2ccccn21 ZINC000164187589 823785046 /nfs/dbraw/zinc/78/50/46/823785046.db2.gz MRHUEEMPSJSFGX-JKSUJKDBSA-N 1 1 388.537 4.489 20 0 GIADMO COC(=O)c1coc([C@H](C)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000574634242 823786732 /nfs/dbraw/zinc/78/67/32/823786732.db2.gz SBWLTNQCPGPYQU-BLLLJJGKSA-N 1 1 384.398 4.039 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000126105917 823789157 /nfs/dbraw/zinc/78/91/57/823789157.db2.gz QWNIMTBZPVVXPX-IBGZPJMESA-N 1 1 387.321 4.488 20 0 GIADMO CN(C)C(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000126105917 823789164 /nfs/dbraw/zinc/78/91/64/823789164.db2.gz QWNIMTBZPVVXPX-IBGZPJMESA-N 1 1 387.321 4.488 20 0 GIADMO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831505 823789443 /nfs/dbraw/zinc/78/94/43/823789443.db2.gz AIPSZPHHYKPHHR-FXAWDEMLSA-N 1 1 381.545 4.238 20 0 GIADMO C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831505 823789449 /nfs/dbraw/zinc/78/94/49/823789449.db2.gz AIPSZPHHYKPHHR-FXAWDEMLSA-N 1 1 381.545 4.238 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000461999093 823789868 /nfs/dbraw/zinc/78/98/68/823789868.db2.gz BJZGQLDSCHNLNZ-GHTZIAJQSA-N 1 1 382.552 4.225 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000064316843 823790296 /nfs/dbraw/zinc/79/02/96/823790296.db2.gz IGNCTQSXYVTWIK-QGZVFWFLSA-N 1 1 383.801 4.128 20 0 GIADMO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000191835869 823791351 /nfs/dbraw/zinc/79/13/51/823791351.db2.gz KYVMXKULLWTVCA-AWEZNQCLSA-N 1 1 379.888 4.102 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000574656628 823792236 /nfs/dbraw/zinc/79/22/36/823792236.db2.gz UXASVIUMKLCWAP-INIZCTEOSA-N 1 1 378.476 4.348 20 0 GIADMO Cc1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)s1 ZINC000126122480 823793535 /nfs/dbraw/zinc/79/35/35/823793535.db2.gz QFXDHCUTOJSBEI-QGZVFWFLSA-N 1 1 387.549 4.378 20 0 GIADMO CCNC(=O)c1cccc(NC(=O)C[N@H+](CC)[C@H](C)c2cc3ccccc3o2)c1 ZINC000064348973 823797722 /nfs/dbraw/zinc/79/77/22/823797722.db2.gz CACWAMZKVDCXIV-MRXNPFEDSA-N 1 1 393.487 4.204 20 0 GIADMO CCNC(=O)c1cccc(NC(=O)C[N@@H+](CC)[C@H](C)c2cc3ccccc3o2)c1 ZINC000064348973 823797728 /nfs/dbraw/zinc/79/77/28/823797728.db2.gz CACWAMZKVDCXIV-MRXNPFEDSA-N 1 1 393.487 4.204 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2nccn2CCCc2ccccc2)cc1OC ZINC000164357216 823797847 /nfs/dbraw/zinc/79/78/47/823797847.db2.gz XIKYIPLLRSGZPN-SFHVURJKSA-N 1 1 379.504 4.384 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(Br)s2)c(OC)c1 ZINC000164402907 823801311 /nfs/dbraw/zinc/80/13/11/823801311.db2.gz FGLMFDQHVYKBOV-JTQLQIEISA-N 1 1 386.311 4.387 20 0 GIADMO CCCOc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1OC ZINC000462029490 823802238 /nfs/dbraw/zinc/80/22/38/823802238.db2.gz DBIASODGGZNYFS-OAQYLSRUSA-N 1 1 396.531 4.155 20 0 GIADMO CC(C)(CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(Cl)c(Cl)c1 ZINC000462030736 823803057 /nfs/dbraw/zinc/80/30/57/823803057.db2.gz DZBCWAUDOQSQIH-UHFFFAOYSA-N 1 1 396.318 4.285 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000164443506 823803104 /nfs/dbraw/zinc/80/31/04/823803104.db2.gz BMEWOLGNHKAQRM-JOCHJYFZSA-N 1 1 388.515 4.437 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000164443639 823803294 /nfs/dbraw/zinc/80/32/94/823803294.db2.gz BMEWOLGNHKAQRM-QFIPXVFZSA-N 1 1 388.515 4.437 20 0 GIADMO C[C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1c(Cl)cccc1Cl ZINC000462033303 823804041 /nfs/dbraw/zinc/80/40/41/823804041.db2.gz VPRKMIGJWYQIOO-LBPRGKRZSA-N 1 1 382.291 4.111 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000126171253 823804907 /nfs/dbraw/zinc/80/49/07/823804907.db2.gz JOSKRUWPYIJBQV-UTKZUKDTSA-N 1 1 398.526 4.120 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1)c1nnnn1-c1ccccc1 ZINC000574711504 823805907 /nfs/dbraw/zinc/80/59/07/823805907.db2.gz BDHQXYGREZLQRU-INIZCTEOSA-N 1 1 389.434 4.445 20 0 GIADMO CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462036919 823806081 /nfs/dbraw/zinc/80/60/81/823806081.db2.gz HZZVMNRBTAQASM-UHFFFAOYSA-N 1 1 375.472 4.210 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](Oc2ccc(Cl)cc2)C(C)C)C1 ZINC000462047822 823811316 /nfs/dbraw/zinc/81/13/16/823811316.db2.gz JHYLWAMGTCWRAF-FXAWDEMLSA-N 1 1 389.927 4.366 20 0 GIADMO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000574726908 823811406 /nfs/dbraw/zinc/81/14/06/823811406.db2.gz SWZWBQSLCCEJKL-IYBDPMFKSA-N 1 1 395.425 4.401 20 0 GIADMO C[N@@H+]1CCN(C(=O)N[C@H]2CCc3sc(Cl)cc32)[C@@H](c2ccccc2)C1 ZINC000462053822 823814170 /nfs/dbraw/zinc/81/41/70/823814170.db2.gz MYGYOEWFNKPMCA-JKSUJKDBSA-N 1 1 375.925 4.087 20 0 GIADMO C[N@H+]1CCN(C(=O)N[C@H]2CCc3sc(Cl)cc32)[C@@H](c2ccccc2)C1 ZINC000462053822 823814176 /nfs/dbraw/zinc/81/41/76/823814176.db2.gz MYGYOEWFNKPMCA-JKSUJKDBSA-N 1 1 375.925 4.087 20 0 GIADMO CCc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH2+][C@H]1CCCn2ncnc21 ZINC000164737971 823817644 /nfs/dbraw/zinc/81/76/44/823817644.db2.gz VVKZQBUXAYXTJO-SFTDATJTSA-N 1 1 375.520 4.192 20 0 GIADMO COc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000574763632 823820265 /nfs/dbraw/zinc/82/02/65/823820265.db2.gz WGTBBHCFUYPCNO-CQSZACIVSA-N 1 1 395.425 4.356 20 0 GIADMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000574774127 823822767 /nfs/dbraw/zinc/82/27/67/823822767.db2.gz OAFQKMCKNGQMKM-UXHICEINSA-N 1 1 379.895 4.080 20 0 GIADMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000574774127 823822770 /nfs/dbraw/zinc/82/27/70/823822770.db2.gz OAFQKMCKNGQMKM-UXHICEINSA-N 1 1 379.895 4.080 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2C)c(C)c1 ZINC000191962354 823825751 /nfs/dbraw/zinc/82/57/51/823825751.db2.gz MYTBXRUNEJGFDW-UHFFFAOYSA-N 1 1 376.504 4.176 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(-n3ccnc3)cc2C)c(C)c1 ZINC000191962354 823825757 /nfs/dbraw/zinc/82/57/57/823825757.db2.gz MYTBXRUNEJGFDW-UHFFFAOYSA-N 1 1 376.504 4.176 20 0 GIADMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000574798365 823829954 /nfs/dbraw/zinc/82/99/54/823829954.db2.gz IVYCFFIFPQJLGX-UHFFFAOYSA-N 1 1 395.890 4.489 20 0 GIADMO c1csc(N2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000064518832 823833807 /nfs/dbraw/zinc/83/38/07/823833807.db2.gz PAJQFFIWKCAUIK-UHFFFAOYSA-N 1 1 393.556 4.461 20 0 GIADMO O=C(CCOc1ccccc1Cl)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521511 823835382 /nfs/dbraw/zinc/83/53/82/823835382.db2.gz MCMUVWDLFFRNRL-INIZCTEOSA-N 1 1 392.952 4.199 20 0 GIADMO O=C(CCSc1ccccc1F)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521844 823835427 /nfs/dbraw/zinc/83/54/27/823835427.db2.gz VWGIFAWUNKDUNK-INIZCTEOSA-N 1 1 392.565 4.398 20 0 GIADMO O=C(CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)Nc1ccc(F)cc1 ZINC000165153094 823836620 /nfs/dbraw/zinc/83/66/20/823836620.db2.gz KHSYDQYHCTYRKO-QFIPXVFZSA-N 1 1 391.446 4.124 20 0 GIADMO Fc1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)n2)cc1F ZINC000192029940 823837211 /nfs/dbraw/zinc/83/72/11/823837211.db2.gz YKFFQJVXHQIGNU-SJLPKXTDSA-N 1 1 391.805 4.288 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)N2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000574836736 823838140 /nfs/dbraw/zinc/83/81/40/823838140.db2.gz YIXBYUCVYWQIQB-XXBNENTESA-N 1 1 377.532 4.150 20 0 GIADMO CC(C)OCc1cccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000064533620 823838391 /nfs/dbraw/zinc/83/83/91/823838391.db2.gz GOCPQBBSCXRPRA-UHFFFAOYSA-N 1 1 387.549 4.065 20 0 GIADMO CSCC[C@@H](C)[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000126317679 823838580 /nfs/dbraw/zinc/83/85/80/823838580.db2.gz HWDNOCJCZLWIMN-SECBINFHSA-N 1 1 376.345 4.134 20 0 GIADMO CC(C)c1cccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000462132483 823839770 /nfs/dbraw/zinc/83/97/70/823839770.db2.gz GBLGLUFGQMJLLG-FRIKZZABSA-N 1 1 398.572 4.284 20 0 GIADMO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335162 823844310 /nfs/dbraw/zinc/84/43/10/823844310.db2.gz XWLPFEQIRJURHB-RBBKRZOGSA-N 1 1 391.559 4.029 20 0 GIADMO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335162 823844319 /nfs/dbraw/zinc/84/43/19/823844319.db2.gz XWLPFEQIRJURHB-RBBKRZOGSA-N 1 1 391.559 4.029 20 0 GIADMO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)nnn1-c1cccc(Cl)c1 ZINC000165380342 823846531 /nfs/dbraw/zinc/84/65/31/823846531.db2.gz GMSYQBHEERDNOD-STQMWFEESA-N 1 1 398.898 4.132 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(-c2cscn2)c1 ZINC000462159762 823849362 /nfs/dbraw/zinc/84/93/62/823849362.db2.gz SHOAXJVAVHNOKR-OXQOHEQNSA-N 1 1 377.513 4.060 20 0 GIADMO C[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000413845588 823850300 /nfs/dbraw/zinc/85/03/00/823850300.db2.gz PCQAKEFEVXEZMD-XHSDSOJGSA-N 1 1 393.959 4.013 20 0 GIADMO CSc1cc(Br)ccc1-c1noc([C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000574889976 823852409 /nfs/dbraw/zinc/85/24/09/823852409.db2.gz KUKCARXRSJKJRZ-SNVBAGLBSA-N 1 1 391.294 4.148 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N[C@@H]3c4ccccc4CCC[C@@H]3C)CC2)[nH+]1 ZINC000462170750 823852471 /nfs/dbraw/zinc/85/24/71/823852471.db2.gz MJMSEHTUEDCVRI-SBUREZEXSA-N 1 1 392.547 4.372 20 0 GIADMO C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000462173224 823853304 /nfs/dbraw/zinc/85/33/04/823853304.db2.gz CKCTYLMJEIICGA-OAHLLOKOSA-N 1 1 383.458 4.426 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000462173001 823853319 /nfs/dbraw/zinc/85/33/19/823853319.db2.gz BHYYLTJPRGPTCT-RHSMWYFYSA-N 1 1 383.542 4.122 20 0 GIADMO CN(CC(C)(C)C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413872539 823853791 /nfs/dbraw/zinc/85/37/91/823853791.db2.gz FIDUHMKJFDYDLJ-UHFFFAOYSA-N 1 1 396.373 4.101 20 0 GIADMO CCC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000064632605 823855559 /nfs/dbraw/zinc/85/55/59/823855559.db2.gz BFUNEEDVVAFDDT-GOSISDBHSA-N 1 1 387.483 4.439 20 0 GIADMO CN(C)C(=O)CC[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632438 823855588 /nfs/dbraw/zinc/85/55/88/823855588.db2.gz OCFGFBMFXKHGLY-UHFFFAOYSA-N 1 1 380.410 4.408 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000462178218 823856060 /nfs/dbraw/zinc/85/60/60/823856060.db2.gz URRLKMQHBKOICK-VFNWGFHPSA-N 1 1 381.907 4.001 20 0 GIADMO CN(C(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1)[C@@H]1CCCc2ccccc21 ZINC000064640848 823856348 /nfs/dbraw/zinc/85/63/48/823856348.db2.gz KIGMOILYMFBAKO-ISKFKSNPSA-N 1 1 392.543 4.204 20 0 GIADMO CN(C(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1)[C@@H]1CCCc2ccccc21 ZINC000064640848 823856352 /nfs/dbraw/zinc/85/63/52/823856352.db2.gz KIGMOILYMFBAKO-ISKFKSNPSA-N 1 1 392.543 4.204 20 0 GIADMO CN(CCCc1ccccc1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644334 823856823 /nfs/dbraw/zinc/85/68/23/823856823.db2.gz KVDBCIJUNWPSIQ-HXUWFJFHSA-N 1 1 385.577 4.234 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)c2cccnc2)CC1 ZINC000413884617 823858101 /nfs/dbraw/zinc/85/81/01/823858101.db2.gz CDAZFNOCNUHWLM-IBGZPJMESA-N 1 1 386.584 4.045 20 0 GIADMO Cc1cccc(-c2noc(C[NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)n2)c1 ZINC000192094548 823858548 /nfs/dbraw/zinc/85/85/48/823858548.db2.gz ZJCGFZVFHMOFRM-PKOBYXMFSA-N 1 1 387.842 4.457 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ncoc1-c1ccccc1Cl ZINC000462184951 823858906 /nfs/dbraw/zinc/85/89/06/823858906.db2.gz CXMGDXPPMHIRPT-BEFAXECRSA-N 1 1 395.890 4.245 20 0 GIADMO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1OCC(=O)N(C)C ZINC000165694962 823859383 /nfs/dbraw/zinc/85/93/83/823859383.db2.gz RVQHIOVOYYXXHL-KSSFIOAISA-N 1 1 376.447 4.234 20 0 GIADMO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)sc2nccc(C)c12 ZINC000462188470 823860897 /nfs/dbraw/zinc/86/08/97/823860897.db2.gz IEESYSDIKMZYDY-CRAIPNDOSA-N 1 1 379.529 4.163 20 0 GIADMO COc1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1C(C)C ZINC000462190305 823861873 /nfs/dbraw/zinc/86/18/73/823861873.db2.gz QEZACYZAJLKANM-XLIONFOSSA-N 1 1 396.531 4.078 20 0 GIADMO CCc1oc(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1C(=O)OC ZINC000574929529 823862327 /nfs/dbraw/zinc/86/23/27/823862327.db2.gz HSDQKVPXTUGRQM-CYBMUJFWSA-N 1 1 386.423 4.289 20 0 GIADMO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nnc(-c3ccccc3Cl)o2)cc1F ZINC000192111543 823863864 /nfs/dbraw/zinc/86/38/64/823863864.db2.gz NCZMMNNMPVYDPF-FUHWJXTLSA-N 1 1 391.805 4.288 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000462195085 823864111 /nfs/dbraw/zinc/86/41/11/823864111.db2.gz JWBIDUACCCQBBW-LBPRGKRZSA-N 1 1 385.455 4.111 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1COC(C)(C)C ZINC000462196658 823865208 /nfs/dbraw/zinc/86/52/08/823865208.db2.gz QXSLLSSRKCFEIU-GCJKJVERSA-N 1 1 380.532 4.252 20 0 GIADMO CC(=O)N(c1nc(C[NH+]2CCc3ccccc3CC2)cs1)c1ccccc1 ZINC000165907426 823865809 /nfs/dbraw/zinc/86/58/09/823865809.db2.gz OFLTYGCZWQECBR-UHFFFAOYSA-N 1 1 377.513 4.429 20 0 GIADMO CC(=O)N(c1nc(CN2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)cs1)c1ccccc1 ZINC000166220196 823872733 /nfs/dbraw/zinc/87/27/33/823872733.db2.gz WYTBEKVPOSJNFD-LEWJYISDSA-N 1 1 398.576 4.275 20 0 GIADMO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574960836 823873014 /nfs/dbraw/zinc/87/30/14/823873014.db2.gz CVNKMVMRBSQSST-KDOFPFPSSA-N 1 1 396.350 4.053 20 0 GIADMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1cscc1Br)Cc1ccccc1 ZINC000574960836 823873018 /nfs/dbraw/zinc/87/30/18/823873018.db2.gz CVNKMVMRBSQSST-KDOFPFPSSA-N 1 1 396.350 4.053 20 0 GIADMO CCCC[C@@H](C)N(C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000574964584 823874143 /nfs/dbraw/zinc/87/41/43/823874143.db2.gz LTXPVEWTKHZCIQ-GOSISDBHSA-N 1 1 386.540 4.016 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)C1 ZINC000064735221 823875261 /nfs/dbraw/zinc/87/52/61/823875261.db2.gz VPCODCHWKIXYJJ-KGVIQGDOSA-N 1 1 382.548 4.002 20 0 GIADMO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000064737303 823876423 /nfs/dbraw/zinc/87/64/23/823876423.db2.gz MJEHRVGDTPWUBA-HNNXBMFYSA-N 1 1 383.517 4.385 20 0 GIADMO Cc1cc(CNC(=O)NCC(C)(C)Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000574969805 823876609 /nfs/dbraw/zinc/87/66/09/823876609.db2.gz ZSQNWBFYBIELFF-UHFFFAOYSA-N 1 1 380.536 4.058 20 0 GIADMO Cc1c(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000126477163 823878254 /nfs/dbraw/zinc/87/82/54/823878254.db2.gz UZCOAZRYVGQHDI-UHFFFAOYSA-N 1 1 393.918 4.427 20 0 GIADMO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166519897 823879110 /nfs/dbraw/zinc/87/91/10/823879110.db2.gz KRHMFGWQZKMWMB-SCFUHWHPSA-N 1 1 381.383 4.448 20 0 GIADMO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166519897 823879115 /nfs/dbraw/zinc/87/91/15/823879115.db2.gz KRHMFGWQZKMWMB-SCFUHWHPSA-N 1 1 381.383 4.448 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2cccc(Br)c2)C1 ZINC000462228975 823883227 /nfs/dbraw/zinc/88/32/27/823883227.db2.gz CEEWLLLYMBIENT-JKSUJKDBSA-N 1 1 381.358 4.037 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)cc1NC(C)=O ZINC000126503953 823885750 /nfs/dbraw/zinc/88/57/50/823885750.db2.gz CNCJXVCMGKSQME-NSHDSACASA-N 1 1 395.272 4.406 20 0 GIADMO Cc1nc(C)c([C@H](C)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007651 823885647 /nfs/dbraw/zinc/88/56/47/823885647.db2.gz JILZHXVVYKZISQ-LAUBAEHRSA-N 1 1 399.604 4.339 20 0 GIADMO Cc1nc(C)c([C@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007651 823885652 /nfs/dbraw/zinc/88/56/52/823885652.db2.gz JILZHXVVYKZISQ-LAUBAEHRSA-N 1 1 399.604 4.339 20 0 GIADMO C[N@@H+](CCNC(=O)CCOc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000064805044 823888427 /nfs/dbraw/zinc/88/84/27/823888427.db2.gz JMZMGUFQMMMQMD-UHFFFAOYSA-N 1 1 388.511 4.371 20 0 GIADMO C[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC000575018024 823889329 /nfs/dbraw/zinc/88/93/29/823889329.db2.gz OQHQYSKFFNKWPW-FVQBIDKESA-N 1 1 376.850 4.428 20 0 GIADMO CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)CCn1cc[nH+]c1C(C)C ZINC000414030613 823892865 /nfs/dbraw/zinc/89/28/65/823892865.db2.gz ZURCKBTVGVNDDK-GOSISDBHSA-N 1 1 398.551 4.279 20 0 GIADMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c2ccccc2C1 ZINC000126543120 823894446 /nfs/dbraw/zinc/89/44/46/823894446.db2.gz XHLBETRCAMUTIL-IAGOWNOFSA-N 1 1 390.405 4.167 20 0 GIADMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)c2ccccc2C1 ZINC000126543120 823894455 /nfs/dbraw/zinc/89/44/55/823894455.db2.gz XHLBETRCAMUTIL-IAGOWNOFSA-N 1 1 390.405 4.167 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccc(Br)c(C)c2)C1 ZINC000575032860 823894830 /nfs/dbraw/zinc/89/48/30/823894830.db2.gz DTPFHPAZQVYRQI-INIZCTEOSA-N 1 1 395.385 4.225 20 0 GIADMO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000192184662 823895402 /nfs/dbraw/zinc/89/54/02/823895402.db2.gz QJHCWGQWUWDBLX-OAHLLOKOSA-N 1 1 377.423 4.221 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167791886 823895913 /nfs/dbraw/zinc/89/59/13/823895913.db2.gz SNHZGYUGAGQGOR-UONOGXRCSA-N 1 1 377.891 4.247 20 0 GIADMO CC(C)(C)OC(=O)NC1(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)CCCCC1 ZINC000126552598 823896723 /nfs/dbraw/zinc/89/67/23/823896723.db2.gz GTJHYAGTAUEDKD-SFHVURJKSA-N 1 1 384.524 4.316 20 0 GIADMO C[C@H](NC(C)(C)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccc1 ZINC000167853244 823896960 /nfs/dbraw/zinc/89/69/60/823896960.db2.gz KYXUIAOQZUSNKF-ROUUACIJSA-N 1 1 381.520 4.423 20 0 GIADMO COc1ccc([C@@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc1NC(C)=O ZINC000167869889 823897805 /nfs/dbraw/zinc/89/78/05/823897805.db2.gz NVKMLIJZSRAJIO-IAGOWNOFSA-N 1 1 383.536 4.434 20 0 GIADMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167902009 823898391 /nfs/dbraw/zinc/89/83/91/823898391.db2.gz FXVFFSKSURWXPG-STXHMFSFSA-N 1 1 384.395 4.276 20 0 GIADMO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCCn2nc(C(C)C)nc21 ZINC000167989989 823898842 /nfs/dbraw/zinc/89/88/42/823898842.db2.gz MSMRGPDQTWFABS-XJKSGUPXSA-N 1 1 382.537 4.414 20 0 GIADMO CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000168042676 823899265 /nfs/dbraw/zinc/89/92/65/823899265.db2.gz PKEXIZGDPFNRME-GOSISDBHSA-N 1 1 386.971 4.282 20 0 GIADMO C[NH+](C)C1(CN[C@H]2CCCc3nc(-c4ccccc4F)sc32)CCOCC1 ZINC000168303416 823901876 /nfs/dbraw/zinc/90/18/76/823901876.db2.gz WMHWHOUDCFCHHR-KRWDZBQOSA-N 1 1 389.540 4.027 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1csc(-c2ccccc2)n1 ZINC000414075515 823902513 /nfs/dbraw/zinc/90/25/13/823902513.db2.gz PBJSLMOAZZILGS-IAGOWNOFSA-N 1 1 394.544 4.281 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)Cc1cccc(F)c1 ZINC000126573670 823903196 /nfs/dbraw/zinc/90/31/96/823903196.db2.gz DTCXWFOEQPNLOU-UHFFFAOYSA-N 1 1 380.467 4.089 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc([C@H]2CCCS2)n1C1CC1 ZINC000575066827 823903288 /nfs/dbraw/zinc/90/32/88/823903288.db2.gz HIKOIJSCLIUJNM-UYAOXDASSA-N 1 1 397.592 4.139 20 0 GIADMO Clc1cccc([C@@H]2CCC[C@H]([NH2+]C3CCN(C[C@H]4CCOC4)CC3)C2)c1 ZINC000414079022 823903755 /nfs/dbraw/zinc/90/37/55/823903755.db2.gz BQTPIXSOWRAAPN-JUXOCIIHSA-N 1 1 376.972 4.457 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1csc(-c2ccccc2)n1 ZINC000414080864 823904592 /nfs/dbraw/zinc/90/45/92/823904592.db2.gz UWCBQXWNPKNQME-OAHLLOKOSA-N 1 1 386.542 4.206 20 0 GIADMO C[C@@H]([NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)c1ccn(C)n1 ZINC000414084911 823905448 /nfs/dbraw/zinc/90/54/48/823905448.db2.gz YBYRJQVKLDKRBH-GOSISDBHSA-N 1 1 392.503 4.069 20 0 GIADMO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC000414085057 823905732 /nfs/dbraw/zinc/90/57/32/823905732.db2.gz XWKFMUSKIAUYFF-HZMBPMFUSA-N 1 1 382.432 4.259 20 0 GIADMO O=C(Nc1ccccc1)Nc1cccc2c1CC[N@@H+](CCO[C@H]1CCCCO1)C2 ZINC000575078870 823906292 /nfs/dbraw/zinc/90/62/92/823906292.db2.gz LORKNFHDPMKBCO-QFIPXVFZSA-N 1 1 395.503 4.232 20 0 GIADMO CCN(C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000462269635 823907267 /nfs/dbraw/zinc/90/72/67/823907267.db2.gz SOEIPLZBQWSQDT-KRWDZBQOSA-N 1 1 384.499 4.422 20 0 GIADMO Cc1cc(CNC(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc(N2CCCC2)[nH+]1 ZINC000462271942 823908401 /nfs/dbraw/zinc/90/84/01/823908401.db2.gz NBBNIQLACRSFBI-CALCHBBNSA-N 1 1 398.473 4.253 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(N)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169138664 823908609 /nfs/dbraw/zinc/90/86/09/823908609.db2.gz WKOUDWRHZLYNKN-APWZRJJASA-N 1 1 391.437 4.101 20 0 GIADMO CCc1ccc(C(C)(C)NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000462276819 823910013 /nfs/dbraw/zinc/91/00/13/823910013.db2.gz ULBVWVBKWQVDFN-UHFFFAOYSA-N 1 1 380.536 4.287 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000462282545 823911625 /nfs/dbraw/zinc/91/16/25/823911625.db2.gz WMVGGBDHYDPOFI-ACJLOTCBSA-N 1 1 399.445 4.143 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000462282545 823911634 /nfs/dbraw/zinc/91/16/34/823911634.db2.gz WMVGGBDHYDPOFI-ACJLOTCBSA-N 1 1 399.445 4.143 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000462282545 823911645 /nfs/dbraw/zinc/91/16/45/823911645.db2.gz WMVGGBDHYDPOFI-ACJLOTCBSA-N 1 1 399.445 4.143 20 0 GIADMO Fc1cccc(-c2ccc(C[NH+]3CCN(Cc4noc(C5CC5)n4)CC3)s2)c1 ZINC000064931888 823914065 /nfs/dbraw/zinc/91/40/65/823914065.db2.gz MUIZYMGJEJGGNJ-UHFFFAOYSA-N 1 1 398.507 4.132 20 0 GIADMO CC[N@@H+](Cc1cc(=O)n2ccsc2n1)C(c1ccccc1)c1ccccc1 ZINC000575111283 823915257 /nfs/dbraw/zinc/91/52/57/823915257.db2.gz GTMLMLSPXCYETI-UHFFFAOYSA-N 1 1 375.497 4.368 20 0 GIADMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3ncccc3Oc3ccccc3)sc2C1 ZINC000575113941 823916134 /nfs/dbraw/zinc/91/61/34/823916134.db2.gz HODASLJETQAJCP-UHFFFAOYSA-N 1 1 394.500 4.349 20 0 GIADMO CC(C)[N@H+]1CCc2nc(NC(=O)c3ncccc3Oc3ccccc3)sc2C1 ZINC000575113941 823916140 /nfs/dbraw/zinc/91/61/40/823916140.db2.gz HODASLJETQAJCP-UHFFFAOYSA-N 1 1 394.500 4.349 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000064956801 823918002 /nfs/dbraw/zinc/91/80/02/823918002.db2.gz LDMOACQSRXCBQS-BBRMVZONSA-N 1 1 399.343 4.107 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C(=O)N1Cc2ccccc2C1 ZINC000414160319 823920672 /nfs/dbraw/zinc/92/06/72/823920672.db2.gz ZMVCWBURGIIULL-HOTGVXAUSA-N 1 1 377.513 4.392 20 0 GIADMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000064995192 823922694 /nfs/dbraw/zinc/92/26/94/823922694.db2.gz VRQNHFJDFKSFSH-ZFWWWQNUSA-N 1 1 385.321 4.105 20 0 GIADMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000064995290 823922792 /nfs/dbraw/zinc/92/27/92/823922792.db2.gz GIPXEPLIIMUYCH-CABCVRRESA-N 1 1 377.579 4.388 20 0 GIADMO COc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1Cl ZINC000414177503 823923136 /nfs/dbraw/zinc/92/31/36/823923136.db2.gz JQVOKTVHCXGMEG-RHSMWYFYSA-N 1 1 375.900 4.075 20 0 GIADMO CC(C)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000462323255 823924867 /nfs/dbraw/zinc/92/48/67/823924867.db2.gz HFPKHEGZOQISHG-XLIONFOSSA-N 1 1 392.590 4.233 20 0 GIADMO COc1ccc(NC(=O)CC[N@@H+](C)CCCc2cc(-c3ccccc3)no2)cc1 ZINC000170647057 823925589 /nfs/dbraw/zinc/92/55/89/823925589.db2.gz KPVGAAYWJXHORW-UHFFFAOYSA-N 1 1 393.487 4.243 20 0 GIADMO C[C@@H]1CCCN(c2cc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)ccn2)C1 ZINC000462340794 823931059 /nfs/dbraw/zinc/93/10/59/823931059.db2.gz MOCATRPRSJVVME-OAHLLOKOSA-N 1 1 386.927 4.285 20 0 GIADMO c1cc(CCCN2CC[N@@H+](CCCc3ccncc3)C3(CCCCC3)C2)ccn1 ZINC000462346577 823933894 /nfs/dbraw/zinc/93/38/94/823933894.db2.gz LLMHFSHBPDJPNJ-UHFFFAOYSA-N 1 1 392.591 4.363 20 0 GIADMO c1cc(CCCN2CC[N@H+](CCCc3ccncc3)CC23CCCCC3)ccn1 ZINC000462346577 823933899 /nfs/dbraw/zinc/93/38/99/823933899.db2.gz LLMHFSHBPDJPNJ-UHFFFAOYSA-N 1 1 392.591 4.363 20 0 GIADMO c1cc(CCCN2CC[N@@H+](CCCc3ccncc3)CC23CCCCC3)ccn1 ZINC000462346577 823933907 /nfs/dbraw/zinc/93/39/07/823933907.db2.gz LLMHFSHBPDJPNJ-UHFFFAOYSA-N 1 1 392.591 4.363 20 0 GIADMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1Cl ZINC000414233366 823935292 /nfs/dbraw/zinc/93/52/92/823935292.db2.gz FCHLIKBBCWBCME-CQSZACIVSA-N 1 1 381.925 4.382 20 0 GIADMO CCOc1ccc([C@@H](CC)[NH2+]Cc2ccccc2S(C)(=O)=O)cc1OCC ZINC000414241401 823937978 /nfs/dbraw/zinc/93/79/78/823937978.db2.gz OQUQIPMAIPQKTH-GOSISDBHSA-N 1 1 391.533 4.128 20 0 GIADMO O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000575204105 823938043 /nfs/dbraw/zinc/93/80/43/823938043.db2.gz KCLXBQDQHUQKSR-YADHBBJMSA-N 1 1 394.946 4.493 20 0 GIADMO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)CCC2 ZINC000126735029 823938413 /nfs/dbraw/zinc/93/84/13/823938413.db2.gz SGOAEWWZMRCVMJ-KBXCAEBGSA-N 1 1 388.556 4.071 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000414244143 823938787 /nfs/dbraw/zinc/93/87/87/823938787.db2.gz RSXXOIMGHFVPPE-GOSISDBHSA-N 1 1 383.435 4.350 20 0 GIADMO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000126737853 823938952 /nfs/dbraw/zinc/93/89/52/823938952.db2.gz KGQMCXQIHLZKED-GOSISDBHSA-N 1 1 376.460 4.197 20 0 GIADMO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000126738103 823938986 /nfs/dbraw/zinc/93/89/86/823938986.db2.gz KGQMCXQIHLZKED-SFHVURJKSA-N 1 1 376.460 4.197 20 0 GIADMO Cc1nn(-c2cccc(F)c2)cc1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000414246550 823939599 /nfs/dbraw/zinc/93/95/99/823939599.db2.gz BRZKOJIVPCJPEP-UHFFFAOYSA-N 1 1 378.495 4.205 20 0 GIADMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000575217990 823942950 /nfs/dbraw/zinc/94/29/50/823942950.db2.gz LXMUACMRYLLQNJ-CYBMUJFWSA-N 1 1 399.844 4.407 20 0 GIADMO C[C@H](NC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192314210 823943672 /nfs/dbraw/zinc/94/36/72/823943672.db2.gz MJQLHVGQYZJRGU-RYUDHWBXSA-N 1 1 385.339 4.350 20 0 GIADMO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000462368042 823944388 /nfs/dbraw/zinc/94/43/88/823944388.db2.gz MYFHCSNLRFNBQL-UHFFFAOYSA-N 1 1 395.728 4.241 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000170708480 823949327 /nfs/dbraw/zinc/94/93/27/823949327.db2.gz VZWVREDKFKETPN-NRFANRHFSA-N 1 1 395.503 4.113 20 0 GIADMO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCCC[C@H]2F)c2ccc(F)c(F)c2)c1 ZINC000414276997 823950120 /nfs/dbraw/zinc/95/01/20/823950120.db2.gz AXYHTMZBKPUUTC-RLLQIKCJSA-N 1 1 397.462 4.328 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192336474 823950463 /nfs/dbraw/zinc/95/04/63/823950463.db2.gz HFDLYYWHGFBRBI-UHFFFAOYSA-N 1 1 380.496 4.055 20 0 GIADMO Cc1ccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000192344799 823954561 /nfs/dbraw/zinc/95/45/61/823954561.db2.gz ZIHHXEPPXYOHMV-UHFFFAOYSA-N 1 1 397.906 4.188 20 0 GIADMO FC(F)SCc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355133 823957130 /nfs/dbraw/zinc/95/71/30/823957130.db2.gz PSFFNGFJUDYRNO-LJQANCHMSA-N 1 1 396.503 4.116 20 0 GIADMO Cc1c(CNC(=O)c2cc(C[NH+]3CCCC3)on2)sc2ccc(Cl)cc12 ZINC000462395160 823958512 /nfs/dbraw/zinc/95/85/12/823958512.db2.gz HDVBFTDSICDUBX-UHFFFAOYSA-N 1 1 389.908 4.377 20 0 GIADMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1O ZINC000575338157 823958676 /nfs/dbraw/zinc/95/86/76/823958676.db2.gz MHSQKTSBGDDWAO-CTNGQTDRSA-N 1 1 382.552 4.289 20 0 GIADMO Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000575342763 823958782 /nfs/dbraw/zinc/95/87/82/823958782.db2.gz PRFXNQCVIBMEPH-UHFFFAOYSA-N 1 1 375.488 4.083 20 0 GIADMO C[C@H]1[C@H](NC(=O)Nc2cccc(OC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000575351804 823960380 /nfs/dbraw/zinc/96/03/80/823960380.db2.gz ZVWRCKIDUMBWRH-KBXCAEBGSA-N 1 1 375.419 4.073 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000575359514 823961471 /nfs/dbraw/zinc/96/14/71/823961471.db2.gz MDAAMEZJKICUEV-MZKRTTBSSA-N 1 1 383.580 4.150 20 0 GIADMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000575371346 823964311 /nfs/dbraw/zinc/96/43/11/823964311.db2.gz HFTSBIHDVUAOIJ-INIZCTEOSA-N 1 1 379.287 4.223 20 0 GIADMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000575371346 823964319 /nfs/dbraw/zinc/96/43/19/823964319.db2.gz HFTSBIHDVUAOIJ-INIZCTEOSA-N 1 1 379.287 4.223 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000575398418 823966308 /nfs/dbraw/zinc/96/63/08/823966308.db2.gz LYQQKSAOWMZHMU-TXTKFYIRSA-N 1 1 398.572 4.235 20 0 GIADMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000170785712 823971398 /nfs/dbraw/zinc/97/13/98/823971398.db2.gz KBVNBDFNCHSCOD-NRFANRHFSA-N 1 1 377.488 4.345 20 0 GIADMO O[C@@](C[NH2+]Cc1csc(-c2ccsc2)n1)(c1ccccc1)C(F)(F)F ZINC000170790634 823972358 /nfs/dbraw/zinc/97/23/58/823972358.db2.gz NXPXKOYFBNKXOV-INIZCTEOSA-N 1 1 384.448 4.411 20 0 GIADMO Fc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)s1 ZINC000575477115 823973635 /nfs/dbraw/zinc/97/36/35/823973635.db2.gz XVNCKPMSIXVHOA-AWEZNQCLSA-N 1 1 383.496 4.324 20 0 GIADMO Fc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000575477115 823973644 /nfs/dbraw/zinc/97/36/44/823973644.db2.gz XVNCKPMSIXVHOA-AWEZNQCLSA-N 1 1 383.496 4.324 20 0 GIADMO Fc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)s1 ZINC000575477115 823973649 /nfs/dbraw/zinc/97/36/49/823973649.db2.gz XVNCKPMSIXVHOA-AWEZNQCLSA-N 1 1 383.496 4.324 20 0 GIADMO Cc1oc2nc(C[N@@H+](CC(C)C)[C@H]3CCCc4cccnc43)nc(N)c2c1C ZINC000126883587 823974051 /nfs/dbraw/zinc/97/40/51/823974051.db2.gz MTMACGWZOOZHAD-KRWDZBQOSA-N 1 1 379.508 4.352 20 0 GIADMO Cc1oc2nc(C[N@H+](CC(C)C)[C@H]3CCCc4cccnc43)nc(N)c2c1C ZINC000126883587 823974057 /nfs/dbraw/zinc/97/40/57/823974057.db2.gz MTMACGWZOOZHAD-KRWDZBQOSA-N 1 1 379.508 4.352 20 0 GIADMO Cc1nn2c(C[N@@H+](C[C@@H](C)c3ccccc3)[C@@H](C)CO)c(C(C)C)nc2s1 ZINC000575600549 823978801 /nfs/dbraw/zinc/97/88/01/823978801.db2.gz VTVPFIRZVSAZAB-CVEARBPZSA-N 1 1 386.565 4.209 20 0 GIADMO CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000575600692 823978845 /nfs/dbraw/zinc/97/88/45/823978845.db2.gz AWDBPJWFDQLBAZ-CQSZACIVSA-N 1 1 387.351 4.077 20 0 GIADMO CCc1ncc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000414436277 823985375 /nfs/dbraw/zinc/98/53/75/823985375.db2.gz BZNBEHPFJWGRPR-HUDNXNEVSA-N 1 1 384.955 4.396 20 0 GIADMO CCc1ncc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000414436277 823985381 /nfs/dbraw/zinc/98/53/81/823985381.db2.gz BZNBEHPFJWGRPR-HUDNXNEVSA-N 1 1 384.955 4.396 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](Cc3cccnc3N)C2)n1 ZINC000575750792 823985808 /nfs/dbraw/zinc/98/58/08/823985808.db2.gz SWJAWTUPVLPSMB-INIZCTEOSA-N 1 1 380.517 4.176 20 0 GIADMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414442218 823986571 /nfs/dbraw/zinc/98/65/71/823986571.db2.gz GPCOCXSFPCKILJ-AWEZNQCLSA-N 1 1 377.453 4.243 20 0 GIADMO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)C(=O)N(c3nccs3)C3CCCCC3)C2)c1 ZINC000575759527 823988090 /nfs/dbraw/zinc/98/80/90/823988090.db2.gz UUHDHEFGADATRM-MSOLQXFVSA-N 1 1 398.576 4.390 20 0 GIADMO Cc1ccnc([C@H]2CC[N@H+]([C@H](C)C(=O)N(c3nccs3)C3CCCCC3)C2)c1 ZINC000575759527 823988096 /nfs/dbraw/zinc/98/80/96/823988096.db2.gz UUHDHEFGADATRM-MSOLQXFVSA-N 1 1 398.576 4.390 20 0 GIADMO Cc1cc(C[NH+](C)C)ccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000414457374 823988489 /nfs/dbraw/zinc/98/84/89/823988489.db2.gz JDENAWLANYESDO-UHFFFAOYSA-N 1 1 391.295 4.303 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[N@@H+](Cc3ccc(-n4cncn4)cc3)C3CC3)cc2)n1 ZINC000575765144 823988751 /nfs/dbraw/zinc/98/87/51/823988751.db2.gz CVEAYAVSUDUXJE-UHFFFAOYSA-N 1 1 398.514 4.234 20 0 GIADMO O=C(Nc1cccc(C[N@H+]2CCCO[C@H](CF)C2)c1)c1ccccc1Cl ZINC000414480112 823991896 /nfs/dbraw/zinc/99/18/96/823991896.db2.gz SYIQWTSIITVOAD-QGZVFWFLSA-N 1 1 376.859 4.153 20 0 GIADMO Cc1cc(C)n2c(C[NH2+]Cc3cccc(Br)c3Cl)cnc2n1 ZINC000414487239 823993600 /nfs/dbraw/zinc/99/36/00/823993600.db2.gz VBFSDNNNRRJMGY-UHFFFAOYSA-N 1 1 379.689 4.052 20 0 GIADMO COC(=O)c1ccc(C[NH2+]Cc2cnccc2C(C)(C)C)c(Br)c1 ZINC000414497345 823995311 /nfs/dbraw/zinc/99/53/11/823995311.db2.gz KEJHKTVUPDCPLD-UHFFFAOYSA-N 1 1 391.309 4.218 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000575790548 823997119 /nfs/dbraw/zinc/99/71/19/823997119.db2.gz NVNCNJXIFGGJLH-LBPRGKRZSA-N 1 1 378.385 4.226 20 0 GIADMO C[C@H](C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000414512004 823998810 /nfs/dbraw/zinc/99/88/10/823998810.db2.gz LZCJBSGHPXZSNN-GCJKJVERSA-N 1 1 383.557 4.463 20 0 GIADMO C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000192462081 823999822 /nfs/dbraw/zinc/99/98/22/823999822.db2.gz MVNRLLSRTMNEEK-MSOLQXFVSA-N 1 1 396.506 4.029 20 0 GIADMO CCN(CC)c1ccc(-c2nnc(SCCCc3c[nH+]cn3C)n2CC)cc1 ZINC000575816510 824002542 /nfs/dbraw/zinc/00/25/42/824002542.db2.gz RNISQRCQLYAXTR-UHFFFAOYSA-N 1 1 398.580 4.270 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192469589 824003378 /nfs/dbraw/zinc/00/33/78/824003378.db2.gz GIBSDFWCXHSIMZ-CVEARBPZSA-N 1 1 392.341 4.028 20 0 GIADMO CCOC(=O)c1nc(SCC[N@@H+](C)Cc2ccccc2)cc(C(C)(C)C)n1 ZINC000575824431 824003825 /nfs/dbraw/zinc/00/38/25/824003825.db2.gz WTKSAJFRZGPEMV-UHFFFAOYSA-N 1 1 387.549 4.175 20 0 GIADMO CN(C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1)C(=O)OC(C)(C)C ZINC000170918047 824005171 /nfs/dbraw/zinc/00/51/71/824005171.db2.gz DCHBPAXJSILTJB-HNNXBMFYSA-N 1 1 389.471 4.170 20 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ZINC000170943958 824009674 /nfs/dbraw/zinc/00/96/74/824009674.db2.gz LMROXJDYOMHZRF-HNNXBMFYSA-N 1 1 381.451 4.072 20 0 GIADMO COc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000414550495 824009837 /nfs/dbraw/zinc/00/98/37/824009837.db2.gz NHHWHAYMONKSDS-QFIPXVFZSA-N 1 1 378.516 4.339 20 0 GIADMO Fc1ccc(-n2cc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)cn2)cc1 ZINC000414552513 824010122 /nfs/dbraw/zinc/01/01/22/824010122.db2.gz KJIUZTXMTHCNFR-QFIPXVFZSA-N 1 1 377.463 4.365 20 0 GIADMO COc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cn1 ZINC000414553276 824010329 /nfs/dbraw/zinc/01/03/29/824010329.db2.gz KVGMEDRCVFQCCR-FQEVSTJZSA-N 1 1 375.472 4.196 20 0 GIADMO COCCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1OC ZINC000414558384 824012037 /nfs/dbraw/zinc/01/20/37/824012037.db2.gz ORPWQBOALWXYPJ-QHCPKHFHSA-N 1 1 397.515 4.074 20 0 GIADMO Fc1ccc(Cn2cc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)cn2)cc1 ZINC000414569755 824014462 /nfs/dbraw/zinc/01/44/62/824014462.db2.gz ZSZDJCTXDNRDIZ-QHCPKHFHSA-N 1 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C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4ccncc4)cn3)C[C@@H]21 ZINC001165023172 721822547 /nfs/dbraw/zinc/82/25/47/721822547.db2.gz HXULKUQBXKLULK-YFNKSVMNSA-N 1 1 399.542 4.276 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc(C5CC5)n4)CC3)C2)cc1 ZINC001164940839 721932957 /nfs/dbraw/zinc/93/29/57/721932957.db2.gz FFZUVAOOVMHIRE-UHFFFAOYSA-N 1 1 377.532 4.139 20 0 GIADMO FC(F)(c1ccnc(Cl)c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955084 722012463 /nfs/dbraw/zinc/01/24/63/722012463.db2.gz SYMJHRXWMWXZKU-UHFFFAOYSA-N 1 1 392.881 4.167 20 0 GIADMO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C[C@@H]21 ZINC001164981580 722098335 /nfs/dbraw/zinc/09/83/35/722098335.db2.gz LTHKJQDVUPGMLS-WSTZPKSXSA-N 1 1 398.938 4.012 20 0 GIADMO C[N@@H+](Cc1ccc(N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164976083 722165798 /nfs/dbraw/zinc/16/57/98/722165798.db2.gz JOIRGHCJOLLRRT-LADGPHEKSA-N 1 1 399.579 4.011 20 0 GIADMO COc1ccc2ncc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2c1 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381.520 4.387 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCCN(c3cc[nH+]c(N(C)C)n3)C2)n1 ZINC000570514165 823048445 /nfs/dbraw/zinc/04/84/45/823048445.db2.gz WHCNIKTWESPFOC-HNNXBMFYSA-N 1 1 395.532 4.059 20 0 GIADMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC000187359275 823049296 /nfs/dbraw/zinc/04/92/96/823049296.db2.gz AYMALUKEXLYAJY-CVEARBPZSA-N 1 1 377.834 4.111 20 0 GIADMO Cc1csc([C@H](NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C2CC2)n1 ZINC000175829314 823049618 /nfs/dbraw/zinc/04/96/18/823049618.db2.gz GQHJMKTYBRIHLQ-FXAWDEMLSA-N 1 1 398.576 4.209 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)CC1 ZINC000175830871 823049973 /nfs/dbraw/zinc/04/99/73/823049973.db2.gz KPYSRLPAFWQNHB-SFHVURJKSA-N 1 1 378.586 4.056 20 0 GIADMO Fc1cc(Br)cc([C@@H]2CCC[N@@H+]2Cc2c[nH]c3nccnc23)c1 ZINC000570526202 823050011 /nfs/dbraw/zinc/05/00/11/823050011.db2.gz POPFUFDXURVYPC-HNNXBMFYSA-N 1 1 375.245 4.148 20 0 GIADMO Fc1cc(Br)cc([C@@H]2CCC[N@H+]2Cc2c[nH]c3nccnc23)c1 ZINC000570526202 823050016 /nfs/dbraw/zinc/05/00/16/823050016.db2.gz POPFUFDXURVYPC-HNNXBMFYSA-N 1 1 375.245 4.148 20 0 GIADMO CSCc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000187364061 823050392 /nfs/dbraw/zinc/05/03/92/823050392.db2.gz HFQQVIYUWZLMKI-QFBILLFUSA-N 1 1 375.582 4.002 20 0 GIADMO Cc1nc(C(F)(F)F)ccc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000570530270 823050512 /nfs/dbraw/zinc/05/05/12/823050512.db2.gz CKJDJYJECQTEMR-AWEZNQCLSA-N 1 1 394.441 4.441 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)CC[N@H+]2C2CC2)c1 ZINC000570535892 823051056 /nfs/dbraw/zinc/05/10/56/823051056.db2.gz BXYGNDVUMUJJIS-OSGQAZFXSA-N 1 1 396.453 4.068 20 0 GIADMO CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000175837875 823051764 /nfs/dbraw/zinc/05/17/64/823051764.db2.gz OLGKKOODDCBMIX-KRWDZBQOSA-N 1 1 392.503 4.482 20 0 GIADMO COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000570557155 823054256 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20 0 GIADMO CN(C)C(=O)c1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175860674 823057426 /nfs/dbraw/zinc/05/74/26/823057426.db2.gz UITGSVWUVMZNII-PMACEKPBSA-N 1 1 386.561 4.318 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ocnc1-c1ccccc1 ZINC000570591345 823058806 /nfs/dbraw/zinc/05/88/06/823058806.db2.gz JPSKFIZNJFAATB-INIZCTEOSA-N 1 1 381.501 4.045 20 0 GIADMO CCC[N@@H+](CC)CCNC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000175872965 823060785 /nfs/dbraw/zinc/06/07/85/823060785.db2.gz GOIGLGKRZJRISE-UHFFFAOYSA-N 1 1 382.480 4.026 20 0 GIADMO O=C(CC[N@@H+](Cc1ccco1)Cc1ccccc1)N1CCc2sccc2C1 ZINC000055898781 823063807 /nfs/dbraw/zinc/06/38/07/823063807.db2.gz IZAGLBBQGANAAQ-UHFFFAOYSA-N 1 1 380.513 4.318 20 0 GIADMO Cc1cnc([C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C2CC2)s1 ZINC000175901475 823067631 /nfs/dbraw/zinc/06/76/31/823067631.db2.gz GUPOPSXZQXRBAF-SFHVURJKSA-N 1 1 399.495 4.035 20 0 GIADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](c2ccc(F)cc2F)C(C)(C)C)c1 ZINC000120795628 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CCC(=O)Nc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000056407527 823145219 /nfs/dbraw/zinc/14/52/19/823145219.db2.gz CZHBFDGDLALLRG-UHFFFAOYSA-N 1 1 399.922 4.037 20 0 GIADMO CCC(=O)Nc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000056407527 823145223 /nfs/dbraw/zinc/14/52/23/823145223.db2.gz CZHBFDGDLALLRG-UHFFFAOYSA-N 1 1 399.922 4.037 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1COc2ccccc21 ZINC000571197357 823147019 /nfs/dbraw/zinc/14/70/19/823147019.db2.gz WPXMANAIEKDBIM-GHTZIAJQSA-N 1 1 393.531 4.036 20 0 GIADMO FC(F)(F)Cn1c(=S)n(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccncc1 ZINC000176200727 823151091 /nfs/dbraw/zinc/15/10/91/823151091.db2.gz HXIZCWPWESXSPO-GASCZTMLSA-N 1 1 397.470 4.118 20 0 GIADMO FC(F)(F)Cn1c(=S)n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccncc1 ZINC000176200727 823151094 /nfs/dbraw/zinc/15/10/94/823151094.db2.gz HXIZCWPWESXSPO-GASCZTMLSA-N 1 1 397.470 4.118 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000176183997 823147400 /nfs/dbraw/zinc/14/74/00/823147400.db2.gz TZNBMIUYRPHMQM-OPAMFIHVSA-N 1 1 375.472 4.062 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000121265354 823151110 /nfs/dbraw/zinc/15/11/10/823151110.db2.gz NXXPGKVUDMTQFM-HXUWFJFHSA-N 1 1 397.519 4.317 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000121265354 823151113 /nfs/dbraw/zinc/15/11/13/823151113.db2.gz NXXPGKVUDMTQFM-HXUWFJFHSA-N 1 1 397.519 4.317 20 0 GIADMO CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000176185379 823147923 /nfs/dbraw/zinc/14/79/23/823147923.db2.gz PAMLRXULVXXUAV-RDJZCZTQSA-N 1 1 391.471 4.028 20 0 GIADMO CCOCc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)ccc1OC ZINC000571207560 823148626 /nfs/dbraw/zinc/14/86/26/823148626.db2.gz BYUXTRDATAYVPM-VJBWXMMDSA-N 1 1 381.516 4.236 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Cc2ccccc2OC(C)C)cc1 ZINC000176190344 823148738 /nfs/dbraw/zinc/14/87/38/823148738.db2.gz BPLPGPXMPJESMM-QGZVFWFLSA-N 1 1 377.488 4.388 20 0 GIADMO FC(F)(F)c1ccc(-n2cc(C[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cn2)cc1 ZINC000571218431 823150328 /nfs/dbraw/zinc/15/03/28/823150328.db2.gz MVRQPYWJQRPMEO-RBUKOAKNSA-N 1 1 391.437 4.425 20 0 GIADMO FC(F)(F)c1ccc(-n2cc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cn2)cc1 ZINC000571218431 823150334 /nfs/dbraw/zinc/15/03/34/823150334.db2.gz MVRQPYWJQRPMEO-RBUKOAKNSA-N 1 1 391.437 4.425 20 0 GIADMO CCOc1cc(CNc2[nH+]cccc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000121261210 823150364 /nfs/dbraw/zinc/15/03/64/823150364.db2.gz KCOUUNMDAZOTDT-UHFFFAOYSA-N 1 1 391.471 4.418 20 0 GIADMO C[N@H+]1CCC[C@@H](CCNC(=O)N(Cc2c(F)cccc2F)C2CCCC2)C1 ZINC000459245154 823150998 /nfs/dbraw/zinc/15/09/98/823150998.db2.gz BGVNVGQASJTQGF-INIZCTEOSA-N 1 1 379.495 4.151 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)C1 ZINC000459250063 823151642 /nfs/dbraw/zinc/15/16/42/823151642.db2.gz FIETVHYVBLBLSO-MRXNPFEDSA-N 1 1 379.495 4.151 20 0 GIADMO Cc1cccc2nc(C3CC[NH+](Cc4cnnn4Cc4ccccc4)CC3)oc21 ZINC000571236042 823153205 /nfs/dbraw/zinc/15/32/05/823153205.db2.gz LCZBBGWDQHREJE-UHFFFAOYSA-N 1 1 387.487 4.156 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000459266032 823153810 /nfs/dbraw/zinc/15/38/10/823153810.db2.gz OYLNZONWUQBLPY-BEFAXECRSA-N 1 1 389.590 4.199 20 0 GIADMO CC[N@H+](C)[C@H](C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C)c1ccccc1 ZINC000571243373 823154447 /nfs/dbraw/zinc/15/44/47/823154447.db2.gz JOHVQECJWBNEOP-FQEVSTJZSA-N 1 1 382.895 4.466 20 0 GIADMO CC[N@@H+](C)[C@H](C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C)c1ccccc1 ZINC000571243373 823154449 /nfs/dbraw/zinc/15/44/49/823154449.db2.gz JOHVQECJWBNEOP-FQEVSTJZSA-N 1 1 382.895 4.466 20 0 GIADMO COc1cccc2c(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cc(C)[nH+]c12 ZINC000121283324 823154851 /nfs/dbraw/zinc/15/48/51/823154851.db2.gz PUHUUCIYBABFTP-INIZCTEOSA-N 1 1 381.520 4.027 20 0 GIADMO COc1ccc(F)cc1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187904599 823155760 /nfs/dbraw/zinc/15/57/60/823155760.db2.gz NBOPTQOWKBDRCA-UWJYYQICSA-N 1 1 399.510 4.029 20 0 GIADMO CCOCCCNC(=O)C1CC[NH+]([C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000056493206 823159168 /nfs/dbraw/zinc/15/91/68/823159168.db2.gz OIHNECAVKWHTDW-CQSZACIVSA-N 1 1 387.351 4.309 20 0 GIADMO CCS(=O)(=O)CCCCC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000190700478 823599662 /nfs/dbraw/zinc/59/96/62/823599662.db2.gz VWDWXGMBGQEQTF-OAHLLOKOSA-N 1 1 394.364 4.052 20 0 GIADMO C[N@H+]1CCC[C@H](CCNC(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000459310424 823160013 /nfs/dbraw/zinc/16/00/13/823160013.db2.gz NMJCEXWPVCUTEU-HXUWFJFHSA-N 1 1 383.511 4.269 20 0 GIADMO O=C1C[C@]2(CC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)Oc2ccccc21 ZINC000571292190 823161137 /nfs/dbraw/zinc/16/11/37/823161137.db2.gz IDMUYDSOBYLSQS-QFIPXVFZSA-N 1 1 378.403 4.091 20 0 GIADMO O=C1C[C@]2(CC[N@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)Oc2ccccc21 ZINC000571292190 823161141 /nfs/dbraw/zinc/16/11/41/823161141.db2.gz IDMUYDSOBYLSQS-QFIPXVFZSA-N 1 1 378.403 4.091 20 0 GIADMO CCOc1cc(C[NH+]2CCC(OC3CCCC3)CC2)cc(Br)c1O ZINC000459327468 823161783 /nfs/dbraw/zinc/16/17/83/823161783.db2.gz ODMAMOBICRSKTH-UHFFFAOYSA-N 1 1 398.341 4.477 20 0 GIADMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000187954735 823163235 /nfs/dbraw/zinc/16/32/35/823163235.db2.gz UPKKRJAIGHGQFT-QLJPJBMISA-N 1 1 379.715 4.068 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000187955148 823163582 /nfs/dbraw/zinc/16/35/82/823163582.db2.gz YPXUSCNPLDDCCE-KRWDZBQOSA-N 1 1 385.474 4.258 20 0 GIADMO c1cn2c(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c(C3CC3)nc2s1 ZINC000571328726 823166194 /nfs/dbraw/zinc/16/61/94/823166194.db2.gz SDWFWZXQYJOEAS-QHCPKHFHSA-N 1 1 392.572 4.371 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CCO1 ZINC000459334688 823163669 /nfs/dbraw/zinc/16/36/69/823163669.db2.gz ABIZCMBIPDPGMP-CYBMUJFWSA-N 1 1 396.375 4.228 20 0 GIADMO CCOc1cc(C[N@@H+](CC)Cc2ccc(C(=O)N(C)C)cc2)cc(Cl)c1O ZINC000459339363 823164878 /nfs/dbraw/zinc/16/48/78/823164878.db2.gz NRAUXJCYPZFLED-UHFFFAOYSA-N 1 1 390.911 4.168 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[N@H+](Cc2ccccc2)CC2CCOCC2)CCO1 ZINC000459342022 823165565 /nfs/dbraw/zinc/16/55/65/823165565.db2.gz GRZOSJQGWCXZDU-OAQYLSRUSA-N 1 1 394.559 4.341 20 0 GIADMO O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC2(CCCC2)c2ccccc21 ZINC000176276653 823170040 /nfs/dbraw/zinc/17/00/40/823170040.db2.gz FFHBVPXWLPUOCD-QHCPKHFHSA-N 1 1 390.527 4.043 20 0 GIADMO COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000459361675 823171922 /nfs/dbraw/zinc/17/19/22/823171922.db2.gz PNIZDPQSRIDTBC-UGKGYDQZSA-N 1 1 378.516 4.161 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)c2cc(C)n(Cc3cccs3)c2C)C1 ZINC000176278293 823170638 /nfs/dbraw/zinc/17/06/38/823170638.db2.gz IRZYPRQWUOHSIZ-LJQANCHMSA-N 1 1 387.593 4.061 20 0 GIADMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000121370966 823172079 /nfs/dbraw/zinc/17/20/79/823172079.db2.gz ORQGYJLDHYLVPE-KBXCAEBGSA-N 1 1 395.503 4.426 20 0 GIADMO CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1OCC ZINC000571370901 823173271 /nfs/dbraw/zinc/17/32/71/823173271.db2.gz SOMQPSIVBBIHFV-KRWDZBQOSA-N 1 1 377.916 4.479 20 0 GIADMO CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)cc1OCC ZINC000571370901 823173274 /nfs/dbraw/zinc/17/32/74/823173274.db2.gz SOMQPSIVBBIHFV-KRWDZBQOSA-N 1 1 377.916 4.479 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C(C)=O)C2)cc1 ZINC000571372216 823173572 /nfs/dbraw/zinc/17/35/72/823173572.db2.gz ZQWRHRPCSFJJHK-FXAWDEMLSA-N 1 1 394.515 4.180 20 0 GIADMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C(C)=O)C2)cc1 ZINC000571372216 823173574 /nfs/dbraw/zinc/17/35/74/823173574.db2.gz ZQWRHRPCSFJJHK-FXAWDEMLSA-N 1 1 394.515 4.180 20 0 GIADMO Cc1ccc(-n2ncc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2C(C)C)cc1 ZINC000571377042 823174542 /nfs/dbraw/zinc/17/45/42/823174542.db2.gz WVNZQRRFQRLJBZ-WIYYLYMNSA-N 1 1 395.551 4.252 20 0 GIADMO CSc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000121397756 823177304 /nfs/dbraw/zinc/17/73/04/823177304.db2.gz PKYGQAXRVAZURY-SFHVURJKSA-N 1 1 389.590 4.141 20 0 GIADMO CSc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000121397756 823177306 /nfs/dbraw/zinc/17/73/06/823177306.db2.gz PKYGQAXRVAZURY-SFHVURJKSA-N 1 1 389.590 4.141 20 0 GIADMO Cc1nc2scc(C3CC3)n2c1CNCc1ccc(C[NH+]2CCCC2)cc1 ZINC000459375939 823176389 /nfs/dbraw/zinc/17/63/89/823176389.db2.gz KXJHEYYHOYXVSL-UHFFFAOYSA-N 1 1 380.561 4.467 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)NCC[C@H](C)CC(C)(C)C)CC2)oc1C ZINC000188044375 823176617 /nfs/dbraw/zinc/17/66/17/823176617.db2.gz AKIQZYWZJCYNRT-INIZCTEOSA-N 1 1 392.588 4.265 20 0 GIADMO FC(F)(F)c1cc([C@H]2C[N@@H+](CCc3cn[nH]c3)CCO2)cc(C(F)(F)F)c1 ZINC000459399187 823183486 /nfs/dbraw/zinc/18/34/86/823183486.db2.gz APNIOTMQTWLRCP-OAHLLOKOSA-N 1 1 393.331 4.063 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)C[C@H](C)O1 ZINC000121408340 823179431 /nfs/dbraw/zinc/17/94/31/823179431.db2.gz GWLJUGRVBAIZTK-BETUJISGSA-N 1 1 394.302 4.250 20 0 GIADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)C[C@H](C)O1 ZINC000121408340 823179432 /nfs/dbraw/zinc/17/94/32/823179432.db2.gz GWLJUGRVBAIZTK-BETUJISGSA-N 1 1 394.302 4.250 20 0 GIADMO C[C@@H](NC1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCOCC1)c1ccccc1 ZINC000121411542 823179990 /nfs/dbraw/zinc/17/99/90/823179990.db2.gz CHSMUSLYGNOQLE-OPAMFIHVSA-N 1 1 386.486 4.442 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000176314937 823180190 /nfs/dbraw/zinc/18/01/90/823180190.db2.gz KPUGAEKTQGAQTB-CABCVRRESA-N 1 1 381.501 4.255 20 0 GIADMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000176323960 823182183 /nfs/dbraw/zinc/18/21/83/823182183.db2.gz VBOWSYGSYHLIMD-NSHDSACASA-N 1 1 398.347 4.021 20 0 GIADMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000176323960 823182187 /nfs/dbraw/zinc/18/21/87/823182187.db2.gz VBOWSYGSYHLIMD-NSHDSACASA-N 1 1 398.347 4.021 20 0 GIADMO C[C@H](CNCc1cn(C2CCCC2)nc1-c1ccccn1)C[NH+]1CCCCC1 ZINC000459396190 823182579 /nfs/dbraw/zinc/18/25/79/823182579.db2.gz VOHPUWCJBVCTHV-LJQANCHMSA-N 1 1 381.568 4.272 20 0 GIADMO FC(F)(F)c1cc([C@H]2C[N@H+](CCc3cn[nH]c3)CCO2)cc(C(F)(F)F)c1 ZINC000459399187 823183482 /nfs/dbraw/zinc/18/34/82/823183482.db2.gz APNIOTMQTWLRCP-OAHLLOKOSA-N 1 1 393.331 4.063 20 0 GIADMO CCCOc1c(Cl)cc(C[N@H+]2CC=C(c3ccnn3C)CC2)cc1OC ZINC000571448139 823183815 /nfs/dbraw/zinc/18/38/15/823183815.db2.gz TWGCJYSDLTUMSP-UHFFFAOYSA-N 1 1 375.900 4.160 20 0 GIADMO CCCOc1c(Cl)cc(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1OC ZINC000571448139 823183820 /nfs/dbraw/zinc/18/38/20/823183820.db2.gz TWGCJYSDLTUMSP-UHFFFAOYSA-N 1 1 375.900 4.160 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc2cc(Br)ccc2o1 ZINC000461260294 823607060 /nfs/dbraw/zinc/60/70/60/823607060.db2.gz DDVWALKEVZEWFP-HNNXBMFYSA-N 1 1 379.298 4.142 20 0 GIADMO COc1cc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)ccc1OC(F)F ZINC000571448414 823184146 /nfs/dbraw/zinc/18/41/46/823184146.db2.gz GCQWQEVTDFEKJS-HOTGVXAUSA-N 1 1 379.447 4.283 20 0 GIADMO CCOc1ccc(-c2nc(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)sc2C)cc1 ZINC000571450439 823184248 /nfs/dbraw/zinc/18/42/48/823184248.db2.gz AFEMEJGCQUVMFA-INIZCTEOSA-N 1 1 396.516 4.223 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)C1 ZINC000176331998 823184370 /nfs/dbraw/zinc/18/43/70/823184370.db2.gz NPUUGUJAIKKKRP-RBUKOAKNSA-N 1 1 380.536 4.229 20 0 GIADMO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459405280 823185878 /nfs/dbraw/zinc/18/58/78/823185878.db2.gz FEEUIMPAMMFZML-SFTDATJTSA-N 1 1 393.575 4.227 20 0 GIADMO Cc1cc(C[N@H+]2CCCN(CC(F)F)CC2)cc(C)c1OCc1ccccn1 ZINC000571483599 823189691 /nfs/dbraw/zinc/18/96/91/823189691.db2.gz GTNVQMBVBNSZEH-UHFFFAOYSA-N 1 1 389.490 4.050 20 0 GIADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000056663716 823192609 /nfs/dbraw/zinc/19/26/09/823192609.db2.gz LWHKESXSSQCDED-QZTJIDSGSA-N 1 1 385.508 4.238 20 0 GIADMO CN(Cc1ccccc1)c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000056679488 823193185 /nfs/dbraw/zinc/19/31/85/823193185.db2.gz QFIGGLVZVZVFLV-NRFANRHFSA-N 1 1 392.503 4.340 20 0 GIADMO COCc1cc(C[NH2+][C@@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000459457184 823195868 /nfs/dbraw/zinc/19/58/68/823195868.db2.gz FWOXMMQGIMIKJZ-MOPGFXCFSA-N 1 1 395.906 4.317 20 0 GIADMO Cc1cnccc1CC[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000571518847 823195217 /nfs/dbraw/zinc/19/52/17/823195217.db2.gz LRUNFEXWTXGNRQ-UHFFFAOYSA-N 1 1 389.499 4.120 20 0 GIADMO Cc1csc(C2(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)CCCC2)n1 ZINC000571533109 823196827 /nfs/dbraw/zinc/19/68/27/823196827.db2.gz DRKWHNJTPFUTRD-INIZCTEOSA-N 1 1 377.941 4.293 20 0 GIADMO COC[C@H]([NH2+]Cc1c(C)nc2scc(C3CC3)n12)c1ccc(F)c(F)c1 ZINC000459461879 823197135 /nfs/dbraw/zinc/19/71/35/823197135.db2.gz KPORKJMGOVNLIB-INIZCTEOSA-N 1 1 377.460 4.337 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1)CC(F)(F)F 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379.932 4.083 20 0 GIADMO COc1cc(OC)cc([C@@H]([NH2+]CCc2ccc(Cl)cc2)c2nccn2C)c1 ZINC000459472919 823199558 /nfs/dbraw/zinc/19/95/58/823199558.db2.gz XEFNGURAZXFXFX-HXUWFJFHSA-N 1 1 385.895 4.012 20 0 GIADMO COCc1noc([C@H](C)[NH+]2CCC(c3ccc(Br)c(C)c3)CC2)n1 ZINC000188194209 823201316 /nfs/dbraw/zinc/20/13/16/823201316.db2.gz FNGFFHSCZZPZMW-ZDUSSCGKSA-N 1 1 394.313 4.228 20 0 GIADMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)sc2C1 ZINC000571558885 823200116 /nfs/dbraw/zinc/20/01/16/823200116.db2.gz FZRLPXSXRHNFIV-KBPBESRZSA-N 1 1 375.925 4.305 20 0 GIADMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)sc2C1 ZINC000571558885 823200120 /nfs/dbraw/zinc/20/01/20/823200120.db2.gz FZRLPXSXRHNFIV-KBPBESRZSA-N 1 1 375.925 4.305 20 0 GIADMO OC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2)C[C@H]1c1ccsc1 ZINC000459475573 823200531 /nfs/dbraw/zinc/20/05/31/823200531.db2.gz GRFTYSLRWKLPTH-BBRMVZONSA-N 1 1 386.742 4.372 20 0 GIADMO FC(F)COc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)cc1 ZINC000571603271 823206375 /nfs/dbraw/zinc/20/63/75/823206375.db2.gz YHOMPWXLHFPBRW-UHFFFAOYSA-N 1 1 383.442 4.365 20 0 GIADMO Cc1nnc(C[NH+]2CCC(c3ccc(Br)c(C)c3)CC2)n1C1CC1 ZINC000188196668 823201894 /nfs/dbraw/zinc/20/18/94/823201894.db2.gz ZASFIWSYWHKCNE-UHFFFAOYSA-N 1 1 389.341 4.372 20 0 GIADMO Fc1ccc([C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)c2ncc[nH]2)cc1 ZINC000188198599 823202014 /nfs/dbraw/zinc/20/20/14/823202014.db2.gz JTEFTPRMDRYKDU-HXUWFJFHSA-N 1 1 393.491 4.379 20 0 GIADMO COc1sc(C[NH2+][C@H](CN(C)C)c2ccc(F)cc2)cc1Br ZINC000574407648 823721774 /nfs/dbraw/zinc/72/17/74/823721774.db2.gz VGZXCKFUADKSGD-OAHLLOKOSA-N 1 1 387.318 4.051 20 0 GIADMO CC[C@@H](C)Oc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000056741800 823204770 /nfs/dbraw/zinc/20/47/70/823204770.db2.gz ZQYZLDCPHLCFQA-OAHLLOKOSA-N 1 1 379.464 4.075 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)C2c3ccccc3-c3ccccc32)cc1 ZINC000176435351 823206986 /nfs/dbraw/zinc/20/69/86/823206986.db2.gz FBYYDPVIXJLGFI-UHFFFAOYSA-N 1 1 385.467 4.285 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)C2c3ccccc3-c3ccccc32)cc1 ZINC000176435351 823206991 /nfs/dbraw/zinc/20/69/91/823206991.db2.gz FBYYDPVIXJLGFI-UHFFFAOYSA-N 1 1 385.467 4.285 20 0 GIADMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459509435 823207413 /nfs/dbraw/zinc/20/74/13/823207413.db2.gz XWZSVEITBIUHNE-XJABCFGWSA-N 1 1 384.545 4.023 20 0 GIADMO CC[C@H]([NH2+][C@H]1CCCc2cn(CCOC)nc21)c1cc(Cl)ccc1OC ZINC000571606435 823207579 /nfs/dbraw/zinc/20/75/79/823207579.db2.gz JUAKXGGQSSUYIQ-ROUUACIJSA-N 1 1 377.916 4.310 20 0 GIADMO C[C@H]1CN(C/C=C\c2ccc(OCc3ccccc3)cc2)CC[N@H+]1CC(C)(C)O ZINC000459509758 823207728 /nfs/dbraw/zinc/20/77/28/823207728.db2.gz LKZSWRPIVSCBKU-UKSYNSBOSA-N 1 1 394.559 4.056 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)cc1F ZINC000459516464 823209199 /nfs/dbraw/zinc/20/91/99/823209199.db2.gz HPLNEIDHCZHXPL-KRWDZBQOSA-N 1 1 382.479 4.025 20 0 GIADMO COCCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000571623512 823211006 /nfs/dbraw/zinc/21/10/06/823211006.db2.gz BKYZZFINPNIGCJ-FXAWDEMLSA-N 1 1 383.488 4.054 20 0 GIADMO C[C@H](c1nc(-c2cccs2)no1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571630268 823211923 /nfs/dbraw/zinc/21/19/23/823211923.db2.gz KKODJPLXTFSSEW-QRQLOZEOSA-N 1 1 394.544 4.313 20 0 GIADMO CCOc1cc(C[N@@H+](Cc2ccccn2)C(C)C)cc(Br)c1O ZINC000571643261 823213556 /nfs/dbraw/zinc/21/35/56/823213556.db2.gz FHTIQUNIQOIHTQ-UHFFFAOYSA-N 1 1 379.298 4.359 20 0 GIADMO Fc1ccc([C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c2ncc[nH]2)cc1 ZINC000188288732 823214649 /nfs/dbraw/zinc/21/46/49/823214649.db2.gz QMIPUTCCXNPLJQ-KXBFYZLASA-N 1 1 388.849 4.299 20 0 GIADMO O=C(COc1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1)N1CCCC1 ZINC000571660990 823215738 /nfs/dbraw/zinc/21/57/38/823215738.db2.gz JBGQUBBUCPWPOM-DEOSSOPVSA-N 1 1 390.527 4.415 20 0 GIADMO C[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C1CCN(c2cnccn2)CC1 ZINC000571664581 823216077 /nfs/dbraw/zinc/21/60/77/823216077.db2.gz XFXQTCBUEXVLIY-UHFFFAOYSA-N 1 1 399.951 4.354 20 0 GIADMO CCOc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc(Cl)c1O ZINC000459544787 823216740 /nfs/dbraw/zinc/21/67/40/823216740.db2.gz KENNVGSRGSPTHS-QWFCFKBJSA-N 1 1 387.907 4.449 20 0 GIADMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459546015 823217357 /nfs/dbraw/zinc/21/73/57/823217357.db2.gz MBWRGUDHSYJBSP-QAUSVWTNSA-N 1 1 392.543 4.074 20 0 GIADMO CCOc1cc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)cc(Cl)c1O ZINC000459561574 823220533 /nfs/dbraw/zinc/22/05/33/823220533.db2.gz MQWDBRQSCBIZGX-UHFFFAOYSA-N 1 1 394.865 4.293 20 0 GIADMO CCO[C@H](C)c1nc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000409446611 823220806 /nfs/dbraw/zinc/22/08/06/823220806.db2.gz IJVURDMVCRPVIN-RLLQIKCJSA-N 1 1 385.577 4.195 20 0 GIADMO C[C@@H]1CN(c2ccccc2C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CCO1 ZINC000459564543 823221292 /nfs/dbraw/zinc/22/12/92/823221292.db2.gz FPWRPXUAYBJWMM-CXAGYDPISA-N 1 1 376.422 4.106 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCSc2ccc(C)cc2)cc1F ZINC000409451820 823221515 /nfs/dbraw/zinc/22/15/15/823221515.db2.gz DMAOGPKQRJOGTL-UHFFFAOYSA-N 1 1 383.492 4.427 20 0 GIADMO c1c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459568087 823221893 /nfs/dbraw/zinc/22/18/93/823221893.db2.gz KJEAFIOIKFKTPO-DHIUTWEWSA-N 1 1 378.520 4.204 20 0 GIADMO c1c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459568087 823221898 /nfs/dbraw/zinc/22/18/98/823221898.db2.gz KJEAFIOIKFKTPO-DHIUTWEWSA-N 1 1 378.520 4.204 20 0 GIADMO CCc1sc(-c2nnc(C[N@@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459580094 823224617 /nfs/dbraw/zinc/22/46/17/823224617.db2.gz JRRUQQIXEBFIDJ-FQEVSTJZSA-N 1 1 391.537 4.223 20 0 GIADMO CCc1sc(-c2nnc(C[N@H+]3CC[C@](C)(C(=O)OC(C)(C)C)C3)o2)cc1C ZINC000459580094 823224620 /nfs/dbraw/zinc/22/46/20/823224620.db2.gz JRRUQQIXEBFIDJ-FQEVSTJZSA-N 1 1 391.537 4.223 20 0 GIADMO COc1ccc(-c2csc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)cc1 ZINC000176517691 823227093 /nfs/dbraw/zinc/22/70/93/823227093.db2.gz XMKMTSNZQDNGBC-YJBOKZPZSA-N 1 1 387.549 4.048 20 0 GIADMO C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000409477020 823229481 /nfs/dbraw/zinc/22/94/81/823229481.db2.gz VCHFLMCFVOJOQL-RISCZKNCSA-N 1 1 387.332 4.486 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1cncc(F)c1 ZINC000459619123 823230453 /nfs/dbraw/zinc/23/04/53/823230453.db2.gz DWSYLIQSZNDWMR-VIFPVBQESA-N 1 1 375.753 4.182 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409479362 823230526 /nfs/dbraw/zinc/23/05/26/823230526.db2.gz WJWMTZORHBCLSB-GJZGRUSLSA-N 1 1 395.828 4.207 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409479362 823230531 /nfs/dbraw/zinc/23/05/31/823230531.db2.gz WJWMTZORHBCLSB-GJZGRUSLSA-N 1 1 395.828 4.207 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cncc(F)c1 ZINC000459620459 823230840 /nfs/dbraw/zinc/23/08/40/823230840.db2.gz LGSWXCYBAPFJSF-VIFPVBQESA-N 1 1 375.753 4.182 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21)c1nc2c(s1)CCC2 ZINC000459631502 823233052 /nfs/dbraw/zinc/23/30/52/823233052.db2.gz CJQWGGHPHOZNHP-KGLIPLIRSA-N 1 1 387.574 4.200 20 0 GIADMO Cc1ccc(-c2n[nH]cc2CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000571770174 823232482 /nfs/dbraw/zinc/23/24/82/823232482.db2.gz RHGSVOAUTLCJME-SIKLNZKXSA-N 1 1 378.495 4.007 20 0 GIADMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(OC[C@H]4CCCCO4)CC3)o2)cc1C ZINC000121697286 823232567 /nfs/dbraw/zinc/23/25/67/823232567.db2.gz JFURXCNZOFEHHT-WIYYLYMNSA-N 1 1 399.535 4.465 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H]1c1cccs1)c1nc2c(s1)CCC2 ZINC000459634417 823234148 /nfs/dbraw/zinc/23/41/48/823234148.db2.gz MYJSNNYYFKJQKL-IPYPFGDCSA-N 1 1 375.563 4.096 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459639949 823235227 /nfs/dbraw/zinc/23/52/27/823235227.db2.gz LBLAINUMZHGEOH-AEFFLSMTSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459639949 823235231 /nfs/dbraw/zinc/23/52/31/823235231.db2.gz LBLAINUMZHGEOH-AEFFLSMTSA-N 1 1 398.469 4.311 20 0 GIADMO COc1cc(C[NH+]2CC(COc3ccccc3)C2)ccc1OCc1ccncc1 ZINC000459638217 823235324 /nfs/dbraw/zinc/23/53/24/823235324.db2.gz YKCLRJMXHBLTSY-UHFFFAOYSA-N 1 1 390.483 4.180 20 0 GIADMO FC(F)(F)[C@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC12CCOCC2 ZINC000459639955 823235578 /nfs/dbraw/zinc/23/55/78/823235578.db2.gz LBTNQURCNYCWMN-HNNXBMFYSA-N 1 1 387.833 4.169 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC12CCOCC2 ZINC000459639955 823235580 /nfs/dbraw/zinc/23/55/80/823235580.db2.gz LBTNQURCNYCWMN-HNNXBMFYSA-N 1 1 387.833 4.169 20 0 GIADMO Cc1cc(Br)cn2c(C[NH2+][C@@H](C)c3nc4c(s3)CCC4)cnc12 ZINC000459642361 823236067 /nfs/dbraw/zinc/23/60/67/823236067.db2.gz BNGKJTGYKJNNIJ-NSHDSACASA-N 1 1 391.338 4.201 20 0 GIADMO FC(F)(F)c1cncc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459658066 823242470 /nfs/dbraw/zinc/24/24/70/823242470.db2.gz IUBDLSLTDDNDST-AWEZNQCLSA-N 1 1 382.348 4.281 20 0 GIADMO FC(F)(F)c1cncc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459658066 823242474 /nfs/dbraw/zinc/24/24/74/823242474.db2.gz IUBDLSLTDDNDST-AWEZNQCLSA-N 1 1 382.348 4.281 20 0 GIADMO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(-c2cccs2)n1 ZINC000459650609 823239303 /nfs/dbraw/zinc/23/93/03/823239303.db2.gz NQQZIUYFMBOSPG-INIZCTEOSA-N 1 1 399.482 4.330 20 0 GIADMO COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459653859 823240362 /nfs/dbraw/zinc/24/03/62/823240362.db2.gz DQHSTVQKDZIESB-HIFRSBDPSA-N 1 1 389.414 4.117 20 0 GIADMO CCC(=O)c1ccc(OCCCCC(=O)N2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000409530251 823242735 /nfs/dbraw/zinc/24/27/35/823242735.db2.gz SBQKKVPVHWLAES-UHFFFAOYSA-N 1 1 394.515 4.307 20 0 GIADMO CCC(=O)c1ccc(OCCCCC(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1 ZINC000409530251 823242737 /nfs/dbraw/zinc/24/27/37/823242737.db2.gz SBQKKVPVHWLAES-UHFFFAOYSA-N 1 1 394.515 4.307 20 0 GIADMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)s1 ZINC000121745798 823241586 /nfs/dbraw/zinc/24/15/86/823241586.db2.gz CJSZALOJAGDBIB-CYBMUJFWSA-N 1 1 380.439 4.498 20 0 GIADMO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000121745040 823241659 /nfs/dbraw/zinc/24/16/59/823241659.db2.gz DMPLATSJWCDHMP-KURKYZTESA-N 1 1 391.512 4.265 20 0 GIADMO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000121745040 823241663 /nfs/dbraw/zinc/24/16/63/823241663.db2.gz DMPLATSJWCDHMP-KURKYZTESA-N 1 1 391.512 4.265 20 0 GIADMO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)CC12CCOCC2 ZINC000459656947 823241699 /nfs/dbraw/zinc/24/16/99/823241699.db2.gz WLVVYGUYRRTKHG-QGZVFWFLSA-N 1 1 385.426 4.029 20 0 GIADMO CCc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)o1 ZINC000121746710 823241939 /nfs/dbraw/zinc/24/19/39/823241939.db2.gz WTWFZMQKANQEMI-ZDUSSCGKSA-N 1 1 378.398 4.283 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(I)c1)c1nc2c(s1)CCC2 ZINC000459659817 823243273 /nfs/dbraw/zinc/24/32/73/823243273.db2.gz ZXCABEGIVRHRHO-JTQLQIEISA-N 1 1 384.286 4.087 20 0 GIADMO FC(F)Oc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459664089 823245060 /nfs/dbraw/zinc/24/50/60/823245060.db2.gz PMBOXQMHYXEBTM-HNNXBMFYSA-N 1 1 379.369 4.469 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)NCCCc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000176602016 823245821 /nfs/dbraw/zinc/24/58/21/823245821.db2.gz FMGFOOHJVSKXES-FXAWDEMLSA-N 1 1 389.540 4.202 20 0 GIADMO CCOC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](C)c1cc(C)ccc1OC)n2CC ZINC000459666382 823245857 /nfs/dbraw/zinc/24/58/57/823245857.db2.gz MMPOMMXPAVPYJL-MRXNPFEDSA-N 1 1 395.503 4.401 20 0 GIADMO C[C@H]1CCN(C(=O)C[NH+]2CCC(C3CCOCC3)CC2)c2ccccc2S1 ZINC000571862420 823247301 /nfs/dbraw/zinc/24/73/01/823247301.db2.gz MVQIATWWCIIPEE-KRWDZBQOSA-N 1 1 388.577 4.043 20 0 GIADMO CC[NH+]1CCC(N2CCCN(Cc3cnc(C4CCCCC4)s3)CC2)CC1 ZINC000571871566 823248108 /nfs/dbraw/zinc/24/81/08/823248108.db2.gz AKYWVXMDGUCBBP-UHFFFAOYSA-N 1 1 390.641 4.183 20 0 GIADMO CO[C@H](C)c1nc(C)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000176610789 823248256 /nfs/dbraw/zinc/24/82/56/823248256.db2.gz QCSORUXVAJOMFX-BPIHKTFHSA-N 1 1 399.560 4.084 20 0 GIADMO CCCCOc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121776495 823248325 /nfs/dbraw/zinc/24/83/25/823248325.db2.gz DSWFKIJOYPBVNT-LJQANCHMSA-N 1 1 394.519 4.296 20 0 GIADMO FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000188489273 823249601 /nfs/dbraw/zinc/24/96/01/823249601.db2.gz LWZKKOBDNNLMHJ-VQIMIIECSA-N 1 1 386.421 4.386 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nnc(-c3ccc[nH]3)n2C2CC2)CC1 ZINC000571889214 823249954 /nfs/dbraw/zinc/24/99/54/823249954.db2.gz HQXLNLHELKKHDM-QGZVFWFLSA-N 1 1 382.556 4.089 20 0 GIADMO CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000409566953 823250453 /nfs/dbraw/zinc/25/04/53/823250453.db2.gz GTCANYSOWOQKRS-KRWDZBQOSA-N 1 1 382.838 4.203 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1F ZINC000409569192 823251137 /nfs/dbraw/zinc/25/11/37/823251137.db2.gz CNJAMFVPAROJLY-UHFFFAOYSA-N 1 1 389.883 4.382 20 0 GIADMO FC(F)(F)Oc1cccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000121787006 823251412 /nfs/dbraw/zinc/25/14/12/823251412.db2.gz QUYYJRNLEIIXAH-HNNXBMFYSA-N 1 1 376.382 4.008 20 0 GIADMO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cn1 ZINC000571903507 823251706 /nfs/dbraw/zinc/25/17/06/823251706.db2.gz ZKCAKYKBKWUBKS-UHFFFAOYSA-N 1 1 383.499 4.384 20 0 GIADMO CC(=O)N1CC[NH+](Cc2ccccc2NC2CC(c3ccccc3C)C2)CC1 ZINC000188504271 823252199 /nfs/dbraw/zinc/25/21/99/823252199.db2.gz YXQCSGXKYUUWQA-UHFFFAOYSA-N 1 1 377.532 4.017 20 0 GIADMO Cc1ccc2cc[nH+]c(N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000571914125 823253150 /nfs/dbraw/zinc/25/31/50/823253150.db2.gz ZIUDVOPGUWYZFR-UHFFFAOYSA-N 1 1 389.455 4.127 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000121802466 823254458 /nfs/dbraw/zinc/25/44/58/823254458.db2.gz RXAHPTKKOWXEEZ-LHSJRXKWSA-N 1 1 378.451 4.368 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)o1 ZINC000459729899 823257874 /nfs/dbraw/zinc/25/78/74/823257874.db2.gz SDFHEPXSCDAWOI-GDBMZVCRSA-N 1 1 389.293 4.105 20 0 GIADMO Brc1ccccc1-c1cnc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)o1 ZINC000459729899 823257877 /nfs/dbraw/zinc/25/78/77/823257877.db2.gz SDFHEPXSCDAWOI-GDBMZVCRSA-N 1 1 389.293 4.105 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000571929679 823256070 /nfs/dbraw/zinc/25/60/70/823256070.db2.gz MGRSXAQLHRCVIC-CVDCTZTESA-N 1 1 396.556 4.054 20 0 GIADMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(c2ccc(O)cc2)CC1 ZINC000057153486 823256220 /nfs/dbraw/zinc/25/62/20/823256220.db2.gz RIMVKKDCONIBNX-JOCHJYFZSA-N 1 1 378.516 4.010 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC(C)C ZINC000571933280 823256469 /nfs/dbraw/zinc/25/64/69/823256469.db2.gz JRHRFODTAFQJKX-LJQANCHMSA-N 1 1 383.492 4.003 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC(C)C ZINC000571933280 823256474 /nfs/dbraw/zinc/25/64/74/823256474.db2.gz JRHRFODTAFQJKX-LJQANCHMSA-N 1 1 383.492 4.003 20 0 GIADMO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121813511 823256625 /nfs/dbraw/zinc/25/66/25/823256625.db2.gz YCCATQOXPALKRF-IBGZPJMESA-N 1 1 391.559 4.393 20 0 GIADMO Cn1nccc1[C@H](CO)[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000459722019 823256652 /nfs/dbraw/zinc/25/66/52/823256652.db2.gz UUEVNPMUMRLUST-SFHVURJKSA-N 1 1 391.393 4.054 20 0 GIADMO Fc1cccc(C[N@H+]2CCC[C@@H](c3nc([C@H]4COc5ccccc5O4)no3)C2)c1 ZINC000571935359 823256702 /nfs/dbraw/zinc/25/67/02/823256702.db2.gz KRXSRVZVRYVMQH-OXQOHEQNSA-N 1 1 395.434 4.101 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000409593756 823256744 /nfs/dbraw/zinc/25/67/44/823256744.db2.gz JFJABZAIVUWYSS-INIZCTEOSA-N 1 1 387.911 4.191 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000409593756 823256751 /nfs/dbraw/zinc/25/67/51/823256751.db2.gz JFJABZAIVUWYSS-INIZCTEOSA-N 1 1 387.911 4.191 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(F)c(Cl)c2)cc1F ZINC000409600414 823258377 /nfs/dbraw/zinc/25/83/77/823258377.db2.gz QZEMPTKGIWKVDZ-UHFFFAOYSA-N 1 1 376.794 4.434 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057169083 823258455 /nfs/dbraw/zinc/25/84/55/823258455.db2.gz OKFLXIRFDXZQAD-LJQANCHMSA-N 1 1 379.504 4.132 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)Cc3cnc4ccccc4c3)C2)s1 ZINC000571954059 823259747 /nfs/dbraw/zinc/25/97/47/823259747.db2.gz WJYOSAAYIVKWBB-SFHVURJKSA-N 1 1 393.556 4.128 20 0 GIADMO C[N@@H+](CCCNC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1)C1CCCCC1 ZINC000571959722 823260556 /nfs/dbraw/zinc/26/05/56/823260556.db2.gz JAICCWKWKIGLRS-IBGZPJMESA-N 1 1 375.532 4.054 20 0 GIADMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1OCc1cccnc1 ZINC000459765617 823262234 /nfs/dbraw/zinc/26/22/34/823262234.db2.gz NYZCMAYMEZOVGL-FCHUYYIVSA-N 1 1 396.531 4.042 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409619775 823263448 /nfs/dbraw/zinc/26/34/48/823263448.db2.gz GTAPYJGFJUZBPT-QRQLOZEOSA-N 1 1 379.495 4.022 20 0 GIADMO COc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1-c1ccccn1 ZINC000121856741 823264272 /nfs/dbraw/zinc/26/42/72/823264272.db2.gz TZKBGKSWBCJJIS-SFHVURJKSA-N 1 1 381.520 4.142 20 0 GIADMO Cc1ccccc1[C@@]1(F)CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000409623188 823264295 /nfs/dbraw/zinc/26/42/95/823264295.db2.gz GZCNGRBJGKDOTO-XUZZJYLKSA-N 1 1 395.522 4.097 20 0 GIADMO Cc1ccccc1[C@@]1(F)CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000409623189 823264394 /nfs/dbraw/zinc/26/43/94/823264394.db2.gz GZCNGRBJGKDOTO-ZJSXRUAMSA-N 1 1 395.522 4.097 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000057222326 823266504 /nfs/dbraw/zinc/26/65/04/823266504.db2.gz PYBQBSJVYJXJSK-UHFFFAOYSA-N 1 1 387.443 4.110 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000057222276 823266610 /nfs/dbraw/zinc/26/66/10/823266610.db2.gz XZJAAXJERNORRV-UHFFFAOYSA-N 1 1 388.452 4.449 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000057222182 823266615 /nfs/dbraw/zinc/26/66/15/823266615.db2.gz AEFDWGXBWFFUMT-UHFFFAOYSA-N 1 1 393.447 4.020 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4cccs4)nc3C)sc2C1 ZINC000121870970 823266985 /nfs/dbraw/zinc/26/69/85/823266985.db2.gz XYXCUYOKHIUAOJ-UHFFFAOYSA-N 1 1 384.530 4.205 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(-c4cccs4)nc3C)sc2C1 ZINC000121870970 823266988 /nfs/dbraw/zinc/26/69/88/823266988.db2.gz XYXCUYOKHIUAOJ-UHFFFAOYSA-N 1 1 384.530 4.205 20 0 GIADMO Cc1oc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1C1CC1 ZINC000571994589 823267201 /nfs/dbraw/zinc/26/72/01/823267201.db2.gz HKWKWUHZYCWNNX-HNAYVOBHSA-N 1 1 382.508 4.377 20 0 GIADMO CCc1sc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)o2)cc1C ZINC000571995420 823267275 /nfs/dbraw/zinc/26/72/75/823267275.db2.gz NVVQDRLNNYQHFK-LJQANCHMSA-N 1 1 387.549 4.450 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1nc(C)sc1C)C(C)C ZINC000411977125 823617451 /nfs/dbraw/zinc/61/74/51/823617451.db2.gz AGWNMQYEBZWJLF-MRXNPFEDSA-N 1 1 380.579 4.132 20 0 GIADMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1nc(C)sc1C)C(C)C ZINC000411977125 823617452 /nfs/dbraw/zinc/61/74/52/823617452.db2.gz AGWNMQYEBZWJLF-MRXNPFEDSA-N 1 1 380.579 4.132 20 0 GIADMO O=C(C[C@@H]1C=CCCC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000188603901 823271026 /nfs/dbraw/zinc/27/10/26/823271026.db2.gz QSNKAGZKNUEDKT-MRXNPFEDSA-N 1 1 391.353 4.276 20 0 GIADMO c1[nH+]c([C@H]2CCCN(c3nn4cc(C5CCCC5)nc4s3)C2)n2c1CCCC2 ZINC000409665258 823278029 /nfs/dbraw/zinc/27/80/29/823278029.db2.gz LIQUIANMGYJYLF-INIZCTEOSA-N 1 1 396.564 4.365 20 0 GIADMO O=C(c1cnc2c(F)ccc(F)c2c1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000460024142 823280347 /nfs/dbraw/zinc/28/03/47/823280347.db2.gz MFCABOOHQQWGKJ-MRXNPFEDSA-N 1 1 379.410 4.138 20 0 GIADMO CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000006046586 817644190 /nfs/dbraw/zinc/64/41/90/817644190.db2.gz YOVKJHAHRZPUME-UHFFFAOYSA-N 1 1 379.891 4.333 20 0 GIADMO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057286130 823275967 /nfs/dbraw/zinc/27/59/67/823275967.db2.gz QVWIFDSFGONTGA-UHFFFAOYSA-N 1 1 398.551 4.398 20 0 GIADMO CC[C@@H]1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2-n2cc[nH+]c2C)CCO1 ZINC000460023531 823280148 /nfs/dbraw/zinc/28/01/48/823280148.db2.gz PXQFSWCOWRMNBU-UKRRQHHQSA-N 1 1 381.398 4.343 20 0 GIADMO CC(C)[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1nc2ccccc2[nH]1 ZINC000572068625 823277339 /nfs/dbraw/zinc/27/73/39/823277339.db2.gz IHQYMACJEJPWJH-FQEVSTJZSA-N 1 1 397.523 4.017 20 0 GIADMO CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000176723603 823277645 /nfs/dbraw/zinc/27/76/45/823277645.db2.gz IZDOBELXAPCZAL-RDJZCZTQSA-N 1 1 386.927 4.036 20 0 GIADMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000006649462 817714867 /nfs/dbraw/zinc/71/48/67/817714867.db2.gz QUAQQISCKYIKKL-AWEZNQCLSA-N 1 1 376.884 4.206 20 0 GIADMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000006649462 817714872 /nfs/dbraw/zinc/71/48/72/817714872.db2.gz QUAQQISCKYIKKL-AWEZNQCLSA-N 1 1 376.884 4.206 20 0 GIADMO Cc1c(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)cnn1CCC(C)C ZINC000121952617 823283940 /nfs/dbraw/zinc/28/39/40/823283940.db2.gz XPLGBFXAAVJSPJ-ROUUACIJSA-N 1 1 398.551 4.099 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCCOc3ccccc32)cc1 ZINC000121957248 823284500 /nfs/dbraw/zinc/28/45/00/823284500.db2.gz GYHZPVYLWMZLLI-HRAATJIYSA-N 1 1 390.487 4.455 20 0 GIADMO CC[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1cccs1 ZINC000460111660 823286700 /nfs/dbraw/zinc/28/67/00/823286700.db2.gz SAUFDPKJIJZDHD-UFYCRDLUSA-N 1 1 383.561 4.363 20 0 GIADMO Cc1cc(C)cc(NC(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000409704443 823286715 /nfs/dbraw/zinc/28/67/15/823286715.db2.gz DZIRHNJPDXXTLH-UHFFFAOYSA-N 1 1 394.563 4.023 20 0 GIADMO COc1cc(Br)c(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)cc1OC ZINC000572131444 823287736 /nfs/dbraw/zinc/28/77/36/823287736.db2.gz BMNATWUVSIQTEQ-AWEZNQCLSA-N 1 1 391.309 4.159 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1COCc2ccccc21 ZINC000572133230 823288114 /nfs/dbraw/zinc/28/81/14/823288114.db2.gz HDLZSYLELALBGK-JPYJTQIMSA-N 1 1 393.531 4.132 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1COCc2ccccc21 ZINC000572133229 823288263 /nfs/dbraw/zinc/28/82/63/823288263.db2.gz HDLZSYLELALBGK-FDDCHVKYSA-N 1 1 393.531 4.132 20 0 GIADMO CCN(C(=O)Nc1cnn(-c2ccccc2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460123059 823289012 /nfs/dbraw/zinc/28/90/12/823289012.db2.gz AQYDOVFKZWRQLO-JOCHJYFZSA-N 1 1 389.503 4.001 20 0 GIADMO Cc1c(Cl)cccc1NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000176771923 823289441 /nfs/dbraw/zinc/28/94/41/823289441.db2.gz YLWKAYCYVHXQGK-IYBDPMFKSA-N 1 1 393.959 4.392 20 0 GIADMO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000572142703 823289794 /nfs/dbraw/zinc/28/97/94/823289794.db2.gz GNDZUEADWFOYIB-PMACEKPBSA-N 1 1 379.504 4.071 20 0 GIADMO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)CC1 ZINC000572150726 823290679 /nfs/dbraw/zinc/29/06/79/823290679.db2.gz GHRMXCUMISDIGR-UHFFFAOYSA-N 1 1 395.551 4.225 20 0 GIADMO COc1ccc2oc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)c(C)c2c1 ZINC000007406350 817832442 /nfs/dbraw/zinc/83/24/42/817832442.db2.gz FAWXSGKEVPZHTD-GOSISDBHSA-N 1 1 382.460 4.300 20 0 GIADMO CCN(C(=O)Nc1cc(F)c(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460136129 823292882 /nfs/dbraw/zinc/29/28/82/823292882.db2.gz XEISFJAGPUGZQH-INIZCTEOSA-N 1 1 377.410 4.232 20 0 GIADMO C[C@@H](c1ccsc1)[NH+]1CCN(Cn2nc(C(F)(F)F)sc2=S)CC1 ZINC000188723919 823293389 /nfs/dbraw/zinc/29/33/89/823293389.db2.gz MBHPMRLWEYLJQC-JTQLQIEISA-N 1 1 394.513 4.091 20 0 GIADMO COc1cccc(Cl)c1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000460137136 823293405 /nfs/dbraw/zinc/29/34/05/823293405.db2.gz GZSFMZCRRCGDFQ-GASCZTMLSA-N 1 1 388.895 4.210 20 0 GIADMO COc1cccc(Cl)c1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000460137136 823293409 /nfs/dbraw/zinc/29/34/09/823293409.db2.gz GZSFMZCRRCGDFQ-GASCZTMLSA-N 1 1 388.895 4.210 20 0 GIADMO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007582385 817873866 /nfs/dbraw/zinc/87/38/66/817873866.db2.gz HVOYPRCUHWGWLY-SFHVURJKSA-N 1 1 379.529 4.101 20 0 GIADMO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007582385 817873874 /nfs/dbraw/zinc/87/38/74/817873874.db2.gz HVOYPRCUHWGWLY-SFHVURJKSA-N 1 1 379.529 4.101 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000007682745 817894294 /nfs/dbraw/zinc/89/42/94/817894294.db2.gz ZYLXSQQNSCXPOM-JOCHJYFZSA-N 1 1 380.513 4.094 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000007682745 817894298 /nfs/dbraw/zinc/89/42/98/817894298.db2.gz ZYLXSQQNSCXPOM-JOCHJYFZSA-N 1 1 380.513 4.094 20 0 GIADMO O=C(Cc1cccc(OC(F)F)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000409759230 823300615 /nfs/dbraw/zinc/30/06/15/823300615.db2.gz RVDPWZNAJIVVIU-UHFFFAOYSA-N 1 1 392.471 4.018 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)C1 ZINC000409761156 823301213 /nfs/dbraw/zinc/30/12/13/823301213.db2.gz BBSQGYVMAFAPJC-QHCPKHFHSA-N 1 1 378.560 4.278 20 0 GIADMO COc1ccc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c(OC(C)C)c1 ZINC000188773553 823302094 /nfs/dbraw/zinc/30/20/94/823302094.db2.gz GIHQTXHLGBMYJO-QGZVFWFLSA-N 1 1 398.503 4.128 20 0 GIADMO C[NH+](C)C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1 ZINC000572200904 823298717 /nfs/dbraw/zinc/29/87/17/823298717.db2.gz KUKICFGPZFWFIW-HSZRJFAPSA-N 1 1 379.479 4.192 20 0 GIADMO C[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000572202354 823299138 /nfs/dbraw/zinc/29/91/38/823299138.db2.gz MGQFCLDOGSUKMM-CJAUYULYSA-N 1 1 398.355 4.347 20 0 GIADMO C[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000572202354 823299143 /nfs/dbraw/zinc/29/91/43/823299143.db2.gz MGQFCLDOGSUKMM-CJAUYULYSA-N 1 1 398.355 4.347 20 0 GIADMO Cc1cccnc1[C@@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000176813633 823299797 /nfs/dbraw/zinc/29/97/97/823299797.db2.gz ODYWJOYNLIOJPY-IRLDBZIGSA-N 1 1 394.563 4.393 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000007995833 817977532 /nfs/dbraw/zinc/97/75/32/817977532.db2.gz JJFPYOCYGWWAQJ-SJORKVTESA-N 1 1 381.520 4.019 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000007995833 817977537 /nfs/dbraw/zinc/97/75/37/817977537.db2.gz JJFPYOCYGWWAQJ-SJORKVTESA-N 1 1 381.520 4.019 20 0 GIADMO O=c1ccn(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c2c(Br)cccc12 ZINC000176827428 823303563 /nfs/dbraw/zinc/30/35/63/823303563.db2.gz SAQKBTIZGMZTAM-RDJZCZTQSA-N 1 1 393.350 4.082 20 0 GIADMO Cc1ccc(C)c(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2C)c1 ZINC000008170385 818010751 /nfs/dbraw/zinc/01/07/51/818010751.db2.gz GLTUPVORJGCABG-UHFFFAOYSA-N 1 1 375.310 4.445 20 0 GIADMO Cc1ccc(C)c(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)c1 ZINC000008170385 818010753 /nfs/dbraw/zinc/01/07/53/818010753.db2.gz GLTUPVORJGCABG-UHFFFAOYSA-N 1 1 375.310 4.445 20 0 GIADMO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000008240789 818021891 /nfs/dbraw/zinc/02/18/91/818021891.db2.gz JCCLSXZGCVSNQG-NSHDSACASA-N 1 1 383.236 4.325 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1F ZINC000008241381 818022098 /nfs/dbraw/zinc/02/20/98/818022098.db2.gz BKJGJDIXVIQRTL-SECBINFHSA-N 1 1 387.199 4.156 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc2nc(C)oc2c1 ZINC000176837325 823305887 /nfs/dbraw/zinc/30/58/87/823305887.db2.gz BIXUQCHDPJZFJC-IBGZPJMESA-N 1 1 393.491 4.050 20 0 GIADMO CCn1c(Cc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460177352 823306530 /nfs/dbraw/zinc/30/65/30/823306530.db2.gz LMRHMZWCRAQGFG-PGRDOPGGSA-N 1 1 391.563 4.351 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)c1 ZINC000011034793 818046353 /nfs/dbraw/zinc/04/63/53/818046353.db2.gz ZNRKAOSNBBMSLB-UHFFFAOYSA-N 1 1 381.520 4.018 20 0 GIADMO 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ZINC000177023799 823352228 /nfs/dbraw/zinc/35/22/28/823352228.db2.gz MHBDBVKCVBWBCF-CQSZACIVSA-N 1 1 393.300 4.229 20 0 GIADMO CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000177026237 823352820 /nfs/dbraw/zinc/35/28/20/823352820.db2.gz SDJBGBBPSKZBRB-FQEVSTJZSA-N 1 1 384.545 4.499 20 0 GIADMO Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccs3)o2)o1 ZINC000020947926 818642654 /nfs/dbraw/zinc/64/26/54/818642654.db2.gz BYOANQYWDUMTBV-SNVBAGLBSA-N 1 1 380.267 4.491 20 0 GIADMO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccs3)o2)o1 ZINC000020947926 818642658 /nfs/dbraw/zinc/64/26/58/818642658.db2.gz BYOANQYWDUMTBV-SNVBAGLBSA-N 1 1 380.267 4.491 20 0 GIADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-c3ccccc3Cl)o2)C[C@@H](C)O1 ZINC000021058085 818650752 /nfs/dbraw/zinc/65/07/52/818650752.db2.gz QLEBZMIYHAOYKH-HUUCEWRRSA-N 1 1 390.911 4.218 20 0 GIADMO CSCC(C)(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000409945944 823350422 /nfs/dbraw/zinc/35/04/22/823350422.db2.gz HAVJBWHEPGSMSF-UHFFFAOYSA-N 1 1 389.392 4.463 20 0 GIADMO CCCCCOc1cc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)ccc1OC ZINC000057961343 823350575 /nfs/dbraw/zinc/35/05/75/823350575.db2.gz NTGDMEAHDOJUAI-KRWDZBQOSA-N 1 1 386.540 4.433 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000189062043 823350586 /nfs/dbraw/zinc/35/05/86/823350586.db2.gz PSEIQIXIBLZEEI-UHFFFAOYSA-N 1 1 390.478 4.013 20 0 GIADMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000572558817 823361023 /nfs/dbraw/zinc/36/10/23/823361023.db2.gz OLVAJQSLVFCGDK-QFIPXVFZSA-N 1 1 382.504 4.376 20 0 GIADMO Cc1cc(C(=O)N=c2[nH]c3c(s2)C[N@H+](Cc2ccccc2)CC3)sc1C ZINC000021529313 818700171 /nfs/dbraw/zinc/70/01/71/818700171.db2.gz XACWTZNFKGPRLB-UHFFFAOYSA-N 1 1 383.542 4.054 20 0 GIADMO Cc1cc(C(=O)N=c2[nH]c3c(s2)C[N@@H+](Cc2ccccc2)CC3)sc1C ZINC000021529313 818700178 /nfs/dbraw/zinc/70/01/78/818700178.db2.gz XACWTZNFKGPRLB-UHFFFAOYSA-N 1 1 383.542 4.054 20 0 GIADMO CCn1ncc2ccc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc21 ZINC000177057560 823361076 /nfs/dbraw/zinc/36/10/76/823361076.db2.gz XOYGYUVNUGONJA-UTKZUKDTSA-N 1 1 391.519 4.231 20 0 GIADMO CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)c1 ZINC000058048140 823357637 /nfs/dbraw/zinc/35/76/37/823357637.db2.gz ASMYLVAHSWQACV-HNNXBMFYSA-N 1 1 387.911 4.111 20 0 GIADMO CC(C)c1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cnn1-c1ccc(Cl)cc1 ZINC000177043618 823357686 /nfs/dbraw/zinc/35/76/86/823357686.db2.gz HTGMSAGQXQQLLL-GDBMZVCRSA-N 1 1 386.927 4.004 20 0 GIADMO Cc1ccsc1CCCC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000122461072 823357749 /nfs/dbraw/zinc/35/77/49/823357749.db2.gz DZNYHJPVQOCPEB-UHFFFAOYSA-N 1 1 389.565 4.012 20 0 GIADMO COCc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000058058581 823358172 /nfs/dbraw/zinc/35/81/72/823358172.db2.gz FYSJNCCOZFWRDE-UHFFFAOYSA-N 1 1 387.911 4.226 20 0 GIADMO COCc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000058058581 823358177 /nfs/dbraw/zinc/35/81/77/823358177.db2.gz FYSJNCCOZFWRDE-UHFFFAOYSA-N 1 1 387.911 4.226 20 0 GIADMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000021673111 818723623 /nfs/dbraw/zinc/72/36/23/818723623.db2.gz XMGOFBAXVTXMFO-FQEVSTJZSA-N 1 1 396.487 4.022 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189113860 823359723 /nfs/dbraw/zinc/35/97/23/823359723.db2.gz QWESHULMUJZZND-RYUDHWBXSA-N 1 1 384.465 4.057 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000177051812 823359795 /nfs/dbraw/zinc/35/97/95/823359795.db2.gz NGZJHXWZQPZOQJ-ZDUSSCGKSA-N 1 1 389.487 4.379 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)c2nnnn2C2CC2)CCC3)cc1 ZINC000189113545 823359902 /nfs/dbraw/zinc/35/99/02/823359902.db2.gz WYMQKKRHVPKAEY-CJNGLKHVSA-N 1 1 380.521 4.168 20 0 GIADMO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1OC)c1ccccc1OCC(=O)N(C)C ZINC000122490828 823362225 /nfs/dbraw/zinc/36/22/25/823362225.db2.gz SWMVGLPJVYJCSB-QAPCUYQASA-N 1 1 388.483 4.103 20 0 GIADMO COCCOc1ccc(Cl)cc1-c1noc([C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000572567015 823362363 /nfs/dbraw/zinc/36/23/63/823362363.db2.gz JMZXDZMBVWZJLT-IBGZPJMESA-N 1 1 397.878 4.084 20 0 GIADMO CCN(Cc1cnc(-c2ccncc2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572568383 823362717 /nfs/dbraw/zinc/36/27/17/823362717.db2.gz QGENGZZLHXMZTM-HXUWFJFHSA-N 1 1 378.545 4.302 20 0 GIADMO CC[N@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000572568383 823362724 /nfs/dbraw/zinc/36/27/24/823362724.db2.gz QGENGZZLHXMZTM-HXUWFJFHSA-N 1 1 378.545 4.302 20 0 GIADMO CC[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000572568383 823362731 /nfs/dbraw/zinc/36/27/31/823362731.db2.gz QGENGZZLHXMZTM-HXUWFJFHSA-N 1 1 378.545 4.302 20 0 GIADMO Cc1nc(CCCC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cs1 ZINC000177065682 823362940 /nfs/dbraw/zinc/36/29/40/823362940.db2.gz GGPKHWOVUQVDNW-BEFAXECRSA-N 1 1 377.579 4.035 20 0 GIADMO CN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000572571172 823363470 /nfs/dbraw/zinc/36/34/70/823363470.db2.gz VUJZZBCXTAQCNJ-OAQYLSRUSA-N 1 1 383.511 4.269 20 0 GIADMO C[N@@H+](CCCNC(=O)CCc1ncc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000022276662 818788071 /nfs/dbraw/zinc/78/80/71/818788071.db2.gz JCIJNWQDKFDGSW-UHFFFAOYSA-N 1 1 395.478 4.052 20 0 GIADMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCCC(F)(F)C1 ZINC000460362810 823364077 /nfs/dbraw/zinc/36/40/77/823364077.db2.gz ZSZKPUCJVLLKTD-RBUKOAKNSA-N 1 1 379.495 4.166 20 0 GIADMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)C1 ZINC000572575705 823364130 /nfs/dbraw/zinc/36/41/30/823364130.db2.gz HWBZWLGWXCLQOK-OAHLLOKOSA-N 1 1 394.450 4.239 20 0 GIADMO CCOc1ccc([C@H]2CCC[N@H+]2CCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000022474562 818812736 /nfs/dbraw/zinc/81/27/36/818812736.db2.gz YKJLABUQGYPEDM-JOCHJYFZSA-N 1 1 392.499 4.299 20 0 GIADMO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccccc2F)no1 ZINC000189148924 823365397 /nfs/dbraw/zinc/36/53/97/823365397.db2.gz XDHZDRILRGCIHS-UHFFFAOYSA-N 1 1 395.482 4.009 20 0 GIADMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2O[C@H](C)C[C@@H]2C)cc1)C[C@H]1CCCCO1 ZINC000409998541 823367361 /nfs/dbraw/zinc/36/73/61/823367361.db2.gz MNMFCYLFUOERPS-KKXYHZGYSA-N 1 1 388.552 4.218 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2csc(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000122516543 823365750 /nfs/dbraw/zinc/36/57/50/823365750.db2.gz OTJRUSFJTDUEDN-CXAGYDPISA-N 1 1 377.941 4.266 20 0 GIADMO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000572592278 823366397 /nfs/dbraw/zinc/36/63/97/823366397.db2.gz BNQPSHRMPNNYPH-GFOFROLCSA-N 1 1 385.335 4.336 20 0 GIADMO CC(C)c1noc2ncc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc21 ZINC000022620007 818834966 /nfs/dbraw/zinc/83/49/66/818834966.db2.gz NSTOVUHGGYAJBR-QGZVFWFLSA-N 1 1 386.883 4.032 20 0 GIADMO Cc1nc(-c2ccccc2)c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC000022699139 818847432 /nfs/dbraw/zinc/84/74/32/818847432.db2.gz XJGZVCDJJIBUSY-UHFFFAOYSA-N 1 1 391.540 4.467 20 0 GIADMO CC(C)CCC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000177089985 823368668 /nfs/dbraw/zinc/36/86/68/823368668.db2.gz QNTKNLALYNZTSN-GOSISDBHSA-N 1 1 398.551 4.324 20 0 GIADMO CCC(CC)[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000022755386 818856581 /nfs/dbraw/zinc/85/65/81/818856581.db2.gz MXCYLVFCJHFYFL-HSZRJFAPSA-N 1 1 394.559 4.072 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000460376684 823368980 /nfs/dbraw/zinc/36/89/80/823368980.db2.gz KUBSODQXUXVLEV-AWEZNQCLSA-N 1 1 392.931 4.223 20 0 GIADMO Brc1ccc2[nH]c(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)nc2c1 ZINC000460378869 823369640 /nfs/dbraw/zinc/36/96/40/823369640.db2.gz DFJVHVVAGXXHHW-OAHLLOKOSA-N 1 1 378.314 4.249 20 0 GIADMO Brc1ccc2nc(C[N@H+](C[C@H]3CCCO3)C3CCCC3)[nH]c2c1 ZINC000460378869 823369647 /nfs/dbraw/zinc/36/96/47/823369647.db2.gz DFJVHVVAGXXHHW-OAHLLOKOSA-N 1 1 378.314 4.249 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)[C@H](C)C1 ZINC000122541983 823369632 /nfs/dbraw/zinc/36/96/32/823369632.db2.gz GDYWTYYHMPXJQU-UTKZUKDTSA-N 1 1 385.552 4.008 20 0 GIADMO Brc1ccc2nc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)[nH]c2c1 ZINC000460378869 823369653 /nfs/dbraw/zinc/36/96/53/823369653.db2.gz DFJVHVVAGXXHHW-OAHLLOKOSA-N 1 1 378.314 4.249 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000022911548 818875606 /nfs/dbraw/zinc/87/56/06/818875606.db2.gz MTKPDLGXEVZXKF-UHFFFAOYSA-N 1 1 395.528 4.240 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000177094479 823370209 /nfs/dbraw/zinc/37/02/09/823370209.db2.gz MXPFPFQZPGTKLK-UHFFFAOYSA-N 1 1 392.478 4.316 20 0 GIADMO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189181015 823371037 /nfs/dbraw/zinc/37/10/37/823371037.db2.gz HTONXHBGSAXPOL-KBXCAEBGSA-N 1 1 375.900 4.266 20 0 GIADMO O=C(c1cccc2ncccc21)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000023185252 818905729 /nfs/dbraw/zinc/90/57/29/818905729.db2.gz ZTVNNXSCEZMNPI-UHFFFAOYSA-N 1 1 379.891 4.236 20 0 GIADMO O=C(c1cccc2ncccc21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000023185252 818905736 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4.210 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000572651927 823375574 /nfs/dbraw/zinc/37/55/74/823375574.db2.gz ZNRMTDSGOLROGP-UXHICEINSA-N 1 1 397.950 4.041 20 0 GIADMO O=C(c1cc(Cl)c(Cl)[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023694903 818975049 /nfs/dbraw/zinc/97/50/49/818975049.db2.gz RGYAPTVZJHNPQE-UHFFFAOYSA-N 1 1 388.298 4.433 20 0 GIADMO CCCC[N@@H+](C)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000023696938 818975262 /nfs/dbraw/zinc/97/52/62/818975262.db2.gz RVNIUUVVVCRNPE-NRFANRHFSA-N 1 1 393.531 4.157 20 0 GIADMO COc1cccc(C[N@H+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000023707388 818975999 /nfs/dbraw/zinc/97/59/99/818975999.db2.gz RQFMALQPQKSHRO-DEOSSOPVSA-N 1 1 388.511 4.227 20 0 GIADMO COc1cccc(C[N@@H+](C)CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000023707388 818976002 /nfs/dbraw/zinc/97/60/02/818976002.db2.gz RQFMALQPQKSHRO-DEOSSOPVSA-N 1 1 388.511 4.227 20 0 GIADMO Cc1nc(C)c(-c2csc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)s1 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MIAVZZPHSDYISX-UHFFFAOYSA-N 1 1 385.432 4.085 20 0 GIADMO C[NH+]1CCC(NC[C@@H](c2ccc(Cl)cc2)N2CCc3sccc3C2)CC1 ZINC000177220294 823402836 /nfs/dbraw/zinc/40/28/36/823402836.db2.gz ZDTRLRSEDDBONT-FQEVSTJZSA-N 1 1 389.996 4.185 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000058519445 823402946 /nfs/dbraw/zinc/40/29/46/823402946.db2.gz WGUBWBLCSCTMCD-QGZVFWFLSA-N 1 1 395.503 4.154 20 0 GIADMO CC(C)c1nc(CNCc2ccc(OCCC[NH+](C)C)cc2)c2ccccn21 ZINC000572846961 823408450 /nfs/dbraw/zinc/40/84/50/823408450.db2.gz NGFKVRGNKXBGIM-UHFFFAOYSA-N 1 1 380.536 4.078 20 0 GIADMO Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1Cl ZINC000572818089 823405029 /nfs/dbraw/zinc/40/50/29/823405029.db2.gz VTMGKJXGPJCPDK-GOSISDBHSA-N 1 1 387.911 4.061 20 0 GIADMO CC[C@@H](NC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)c1ccc(Cl)cc1 ZINC000058538456 823406202 /nfs/dbraw/zinc/40/62/02/823406202.db2.gz NHXKJUXWXMFIRN-RTBURBONSA-N 1 1 389.927 4.402 20 0 GIADMO Cc1cccc([C@@H]2CCC[N@H+]2CCc2nc3sc4c(c3c(N)n2)CCCC4)n1 ZINC000572827720 823406414 /nfs/dbraw/zinc/40/64/14/823406414.db2.gz FTPBELHEDHEMCB-KRWDZBQOSA-N 1 1 393.560 4.235 20 0 GIADMO CC[C@H]1CN(c2cc(C(F)F)nc3ccc(Cl)cc32)CC[N@H+]1C[C@H](C)O ZINC000572828902 823406799 /nfs/dbraw/zinc/40/67/99/823406799.db2.gz BNORBOAMHAPCFO-JSGCOSHPSA-N 1 1 383.870 4.107 20 0 GIADMO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3cccc(Br)c3)s2)c1 ZINC000189399456 823408242 /nfs/dbraw/zinc/40/82/42/823408242.db2.gz XOIMYUUJEZUYQY-UHFFFAOYSA-N 1 1 391.290 4.159 20 0 GIADMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cnn(Cc3ccc(F)cc3)c1)CCO2 ZINC000189414968 823411408 /nfs/dbraw/zinc/41/14/08/823411408.db2.gz LALQNXOTQMJSIX-NRFANRHFSA-N 1 1 381.451 4.083 20 0 GIADMO CCOc1ccc(CN(C)C(=O)C[N@H+](C)Cc2csc3ccccc23)cc1 ZINC000058591100 823413867 /nfs/dbraw/zinc/41/38/67/823413867.db2.gz JBBGFGGCTPIJLI-UHFFFAOYSA-N 1 1 382.529 4.390 20 0 GIADMO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2csc3ccccc23)cc1 ZINC000058591100 823413873 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20 0 GIADMO C[C@@H](Sc1nc2ccccc2s1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000058593738 823414439 /nfs/dbraw/zinc/41/44/39/823414439.db2.gz HSJWWHKVMNZHOS-NVXWUHKLSA-N 1 1 397.569 4.168 20 0 GIADMO Cc1cnc([C@@H](NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C2CC2)s1 ZINC000122806178 823415690 /nfs/dbraw/zinc/41/56/90/823415690.db2.gz IRVLDZBWUFHHBZ-KUHUBIRLSA-N 1 1 395.532 4.457 20 0 GIADMO c1ccc(OCc2cccnc2)c(CNc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000122821352 823418090 /nfs/dbraw/zinc/41/80/90/823418090.db2.gz AWPIXVIHPCYWDW-UHFFFAOYSA-N 1 1 389.499 4.105 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N(CCC(F)(F)F)CC1CC1 ZINC000177293748 823423882 /nfs/dbraw/zinc/42/38/82/823423882.db2.gz ILZHODPEGYJVNE-GOSISDBHSA-N 1 1 383.458 4.025 20 0 GIADMO C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000177295292 823424439 /nfs/dbraw/zinc/42/44/39/823424439.db2.gz AUWPPDWZWAJAGP-SFHVURJKSA-N 1 1 391.515 4.334 20 0 GIADMO CC(C)(C)OCc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)no1 ZINC000572959908 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UYTJBJNAUKFQFF-KRWDZBQOSA-N 1 1 397.544 4.243 20 0 GIADMO NC(=O)C1([NH2+]Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CCCCC1 ZINC000122903674 823431639 /nfs/dbraw/zinc/43/16/39/823431639.db2.gz QFSZJOISAZNHRN-UHFFFAOYSA-N 1 1 396.922 4.016 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)c(C(F)(F)F)c1 ZINC000024687010 819865399 /nfs/dbraw/zinc/86/53/99/819865399.db2.gz REBUEUSBKORORI-CYBMUJFWSA-N 1 1 393.409 4.295 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2)c(C(F)(F)F)c1 ZINC000024687010 819865414 /nfs/dbraw/zinc/86/54/14/819865414.db2.gz REBUEUSBKORORI-CYBMUJFWSA-N 1 1 393.409 4.295 20 0 GIADMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCc1ccncc1)CC2 ZINC000024786768 819876831 /nfs/dbraw/zinc/87/68/31/819876831.db2.gz DZBHPDDGNSVINZ-QFIPXVFZSA-N 1 1 380.513 4.351 20 0 GIADMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000024821627 819881244 /nfs/dbraw/zinc/88/12/44/819881244.db2.gz JMONBFGJSBTZHJ-HSZRJFAPSA-N 1 1 393.531 4.379 20 0 GIADMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 ZINC000024821627 819881257 /nfs/dbraw/zinc/88/12/57/819881257.db2.gz JMONBFGJSBTZHJ-HSZRJFAPSA-N 1 1 393.531 4.379 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)cc1OC ZINC000024897513 819890784 /nfs/dbraw/zinc/89/07/84/819890784.db2.gz DEJDMCPCIJGSFH-UHFFFAOYSA-N 1 1 397.302 4.471 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)CC[N@H+]1C ZINC000177331778 823436090 /nfs/dbraw/zinc/43/60/90/823436090.db2.gz CCRCDSIGAADOQO-UZLBHIALSA-N 1 1 386.540 4.152 20 0 GIADMO COc1cccc(-n2ccn(C[N@H+](C)Cc3ccc(N(C)C)cc3)c2=S)c1 ZINC000024980437 819903734 /nfs/dbraw/zinc/90/37/34/819903734.db2.gz CLYQERGIWMYAMA-UHFFFAOYSA-N 1 1 382.533 4.172 20 0 GIADMO COc1cccc(-n2ccn(C[N@@H+](C)Cc3ccc(N(C)C)cc3)c2=S)c1 ZINC000024980437 819903736 /nfs/dbraw/zinc/90/37/36/819903736.db2.gz CLYQERGIWMYAMA-UHFFFAOYSA-N 1 1 382.533 4.172 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@H]3c3cccs3)cc2)C[C@@H](C)O1 ZINC000025057977 819917785 /nfs/dbraw/zinc/91/77/85/819917785.db2.gz FEDDUDVOVIIXLZ-HLIPFELVSA-N 1 1 384.545 4.335 20 0 GIADMO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)Sc3ccc(C)cc3)CC2)cc1 ZINC000025081619 819923002 /nfs/dbraw/zinc/92/30/02/819923002.db2.gz UPVTXZURYSJLEV-IBGZPJMESA-N 1 1 398.572 4.219 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H](C)Sc3ccc(C)cc3)CC2)cc1 ZINC000025081619 819923007 /nfs/dbraw/zinc/92/30/07/819923007.db2.gz UPVTXZURYSJLEV-IBGZPJMESA-N 1 1 398.572 4.219 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000025087577 819924544 /nfs/dbraw/zinc/92/45/44/819924544.db2.gz QHWGMEUMBDJLHK-ROKPMTFOSA-N 1 1 392.543 4.143 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000025087577 819924552 /nfs/dbraw/zinc/92/45/52/819924552.db2.gz QHWGMEUMBDJLHK-ROKPMTFOSA-N 1 1 392.543 4.143 20 0 GIADMO CCCOc1ccccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025092400 819926467 /nfs/dbraw/zinc/92/64/67/819926467.db2.gz RPVHXYLAQRIYEN-HDICACEKSA-N 1 1 382.504 4.337 20 0 GIADMO CCCOc1ccccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000025092400 819926473 /nfs/dbraw/zinc/92/64/73/819926473.db2.gz RPVHXYLAQRIYEN-HDICACEKSA-N 1 1 382.504 4.337 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3N3CCCC3)cc2)C[C@@H](C)O1 ZINC000025096812 819927910 /nfs/dbraw/zinc/92/79/10/819927910.db2.gz MPNDBWQQSMPIAB-RTBURBONSA-N 1 1 393.531 4.148 20 0 GIADMO CC(=O)Nc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000025214855 819944000 /nfs/dbraw/zinc/94/40/00/819944000.db2.gz SXSRIOIBVQADEX-HSZRJFAPSA-N 1 1 387.483 4.423 20 0 GIADMO COc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)COCc2cccc(OC)c2)cc1 ZINC000025302195 819958030 /nfs/dbraw/zinc/95/80/30/819958030.db2.gz IAFAESLAPQRSNC-ZJSXRUAMSA-N 1 1 399.531 4.199 20 0 GIADMO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000025308588 819959927 /nfs/dbraw/zinc/95/99/27/819959927.db2.gz DYVNUJTVXMUQII-FEVQIYFRSA-N 1 1 385.479 4.444 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C(C)C)cc1 ZINC000025361792 819969718 /nfs/dbraw/zinc/96/97/18/819969718.db2.gz BRTASCODUQYKQE-GGAORHGYSA-N 1 1 384.495 4.485 20 0 GIADMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)C(C)C)cc1 ZINC000025361792 819969728 /nfs/dbraw/zinc/96/97/28/819969728.db2.gz BRTASCODUQYKQE-GGAORHGYSA-N 1 1 384.495 4.485 20 0 GIADMO Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000025377659 819973223 /nfs/dbraw/zinc/97/32/23/819973223.db2.gz WAJCDTWGFWUIEH-JOCHJYFZSA-N 1 1 395.934 4.467 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025444017 819981327 /nfs/dbraw/zinc/98/13/27/819981327.db2.gz DRNBSMYHJSPXQW-NRFANRHFSA-N 1 1 397.494 4.083 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025444017 819981338 /nfs/dbraw/zinc/98/13/38/819981338.db2.gz DRNBSMYHJSPXQW-NRFANRHFSA-N 1 1 397.494 4.083 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025459542 819984981 /nfs/dbraw/zinc/98/49/81/819984981.db2.gz ZMMRVPPPVYQISC-UHFFFAOYSA-N 1 1 389.499 4.217 20 0 GIADMO CC(C)(CNC(=O)CCc1cc2ccccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000025463129 819986157 /nfs/dbraw/zinc/98/61/57/819986157.db2.gz NUFKRSLSIFVKFE-UHFFFAOYSA-N 1 1 376.500 4.319 20 0 GIADMO O=S(=O)(CC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000058747629 823443581 /nfs/dbraw/zinc/44/35/81/823443581.db2.gz WDRZUOIZBXNXPF-UHFFFAOYSA-N 1 1 377.937 4.068 20 0 GIADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CCCc4c3cnn4C)c2c1C ZINC000025567293 820003749 /nfs/dbraw/zinc/00/37/49/820003749.db2.gz AKMIOJBNBVFVAH-INIZCTEOSA-N 1 1 396.564 4.127 20 0 GIADMO C[C@H](CNC(=O)c1ccc(SC(F)F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000025640427 820010077 /nfs/dbraw/zinc/01/00/77/820010077.db2.gz ICYDWTGVNXQOOV-CQSZACIVSA-N 1 1 376.472 4.178 20 0 GIADMO CCOC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000025945279 820043147 /nfs/dbraw/zinc/04/31/47/820043147.db2.gz JYEBTLLXOMLRSB-HXUWFJFHSA-N 1 1 396.487 4.225 20 0 GIADMO CCOC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000025945279 820043154 /nfs/dbraw/zinc/04/31/54/820043154.db2.gz JYEBTLLXOMLRSB-HXUWFJFHSA-N 1 1 396.487 4.225 20 0 GIADMO COc1cccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccccc2Br)c1 ZINC000123015951 823448561 /nfs/dbraw/zinc/44/85/61/823448561.db2.gz WJLHGZIBAVESJT-CYBMUJFWSA-N 1 1 377.282 4.089 20 0 GIADMO COc1cccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccccc2Br)c1 ZINC000123015951 823448563 /nfs/dbraw/zinc/44/85/63/823448563.db2.gz WJLHGZIBAVESJT-CYBMUJFWSA-N 1 1 377.282 4.089 20 0 GIADMO FC(F)C(F)(F)COCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000189576992 823449095 /nfs/dbraw/zinc/44/90/95/823449095.db2.gz LALQFBGOFAJNKG-GFCCVEGCSA-N 1 1 380.451 4.118 20 0 GIADMO O=C(C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000026100382 820057304 /nfs/dbraw/zinc/05/73/04/820057304.db2.gz UKUUAOXIXVNNGO-RUZDIDTESA-N 1 1 382.507 4.219 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N(Cc2cccc(O)c2)CC2CC2)[C@H](C(F)(F)F)C1 ZINC000573113455 823449416 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Cc1[nH]c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4C)CC3)cc2c1C ZINC000027387338 820237283 /nfs/dbraw/zinc/23/72/83/820237283.db2.gz KMXILRKNPIFDEQ-UHFFFAOYSA-N 1 1 375.516 4.441 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)Nc1cc(Cl)ccc1N1CCCCC1)c1ccco1 ZINC000058863121 823463669 /nfs/dbraw/zinc/46/36/69/823463669.db2.gz KIRMHDFYNNUZTM-GOSISDBHSA-N 1 1 390.915 4.348 20 0 GIADMO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000027474764 820249627 /nfs/dbraw/zinc/24/96/27/820249627.db2.gz SWCFUCGMJJIFAQ-INIZCTEOSA-N 1 1 391.540 4.464 20 0 GIADMO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000027474764 820249641 /nfs/dbraw/zinc/24/96/41/820249641.db2.gz SWCFUCGMJJIFAQ-INIZCTEOSA-N 1 1 391.540 4.464 20 0 GIADMO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000027497720 820253625 /nfs/dbraw/zinc/25/36/25/820253625.db2.gz CCWDLUVNIHKIOU-CRAIPNDOSA-N 1 1 376.884 4.044 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1SCC(F)(F)F)c1ccco1 ZINC000058884238 823466602 /nfs/dbraw/zinc/46/66/02/823466602.db2.gz XCRKWIBTIRJUSL-ZDUSSCGKSA-N 1 1 387.427 4.358 20 0 GIADMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)c1 ZINC000027702980 820278664 /nfs/dbraw/zinc/27/86/64/820278664.db2.gz JNWGXFOPXBNYAZ-HNNXBMFYSA-N 1 1 391.309 4.095 20 0 GIADMO Cc1cccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2Br)c1 ZINC000027702980 820278670 /nfs/dbraw/zinc/27/86/70/820278670.db2.gz JNWGXFOPXBNYAZ-HNNXBMFYSA-N 1 1 391.309 4.095 20 0 GIADMO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)C1 ZINC000177457520 823466906 /nfs/dbraw/zinc/46/69/06/823466906.db2.gz VETPQQAHLGCEQA-QRVBRYPASA-N 1 1 392.540 4.205 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+]1Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 ZINC000189654447 823468499 /nfs/dbraw/zinc/46/84/99/823468499.db2.gz KHGFZMYGSQCGBI-NRFANRHFSA-N 1 1 387.549 4.181 20 0 GIADMO CC[C@@]1(CO)CCC[N@H+]1Cc1csc(N(C(C)=O)c2ccc(C)cc2C)n1 ZINC000189654447 823468503 /nfs/dbraw/zinc/46/85/03/823468503.db2.gz KHGFZMYGSQCGBI-NRFANRHFSA-N 1 1 387.549 4.181 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)C2CC2)cc1 ZINC000028275578 820321952 /nfs/dbraw/zinc/32/19/52/820321952.db2.gz RNROVZGPQGFODX-RCDICMHDSA-N 1 1 388.458 4.234 20 0 GIADMO COc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)C2CC2)cc1 ZINC000028275578 820321963 /nfs/dbraw/zinc/32/19/63/820321963.db2.gz RNROVZGPQGFODX-RCDICMHDSA-N 1 1 388.458 4.234 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000410347949 823469779 /nfs/dbraw/zinc/46/97/79/823469779.db2.gz SPYCSBZCVWEXOI-KRWDZBQOSA-N 1 1 379.504 4.318 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177470698 823470310 /nfs/dbraw/zinc/47/03/10/823470310.db2.gz QGQNKWBPWDORDF-ICSRJNTNSA-N 1 1 388.552 4.105 20 0 GIADMO COc1ccc(OC)c(C[N@@H+](Cc2cc(OC)c(O)c(OC)c2)C(C)(C)C)c1 ZINC000573248403 823470503 /nfs/dbraw/zinc/47/05/03/823470503.db2.gz QYPNXDKQBGDOHO-UHFFFAOYSA-N 1 1 389.492 4.227 20 0 GIADMO O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CCc2ccccc2Cl)CC1 ZINC000058922387 823470828 /nfs/dbraw/zinc/47/08/28/823470828.db2.gz ZZUDTRPFKDNKBS-UHFFFAOYSA-N 1 1 377.315 4.384 20 0 GIADMO COc1ccc([C@@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccco2)cc1 ZINC000573266114 823473202 /nfs/dbraw/zinc/47/32/02/823473202.db2.gz UEYKPMOYXTYGKK-NZQKXSOJSA-N 1 1 390.483 4.016 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(Cc3ncc(-c4cccs4)o3)CC2)C[C@H](C)O1 ZINC000177484247 823473505 /nfs/dbraw/zinc/47/35/05/823473505.db2.gz LMFBUTSKFRMANC-CALCHBBNSA-N 1 1 389.565 4.114 20 0 GIADMO O=C(CC[N@H+]1CCc2ccccc2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000028842572 820363241 /nfs/dbraw/zinc/36/32/41/820363241.db2.gz SAUDLHPYQSIJCK-HSZRJFAPSA-N 1 1 376.525 4.402 20 0 GIADMO Cc1ccc(OCCN(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000410359288 823473727 /nfs/dbraw/zinc/47/37/27/823473727.db2.gz LAGBBNULJSAHLE-UHFFFAOYSA-N 1 1 383.536 4.056 20 0 GIADMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000028898197 820369312 /nfs/dbraw/zinc/36/93/12/820369312.db2.gz OWRHNBKKSMFISD-KBPBESRZSA-N 1 1 376.884 4.343 20 0 GIADMO COc1ccc(OCC[N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000028897244 820369506 /nfs/dbraw/zinc/36/95/06/820369506.db2.gz WMTBQHJWIVQMFW-UHFFFAOYSA-N 1 1 397.302 4.341 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000028899436 820370204 /nfs/dbraw/zinc/37/02/04/820370204.db2.gz XHQRJFRVYJHACZ-GOSISDBHSA-N 1 1 383.511 4.237 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000123176549 823474254 /nfs/dbraw/zinc/47/42/54/823474254.db2.gz ZBNWZFTZDXFLCI-QMTHXVAHSA-N 1 1 382.348 4.279 20 0 GIADMO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1Cl ZINC000028965352 820377958 /nfs/dbraw/zinc/37/79/58/820377958.db2.gz FVGTZPRHVGUSFG-LBPRGKRZSA-N 1 1 395.286 4.444 20 0 GIADMO Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C(=O)N4CCCCC4)CC3)o2)cc1C ZINC000177505413 823478990 /nfs/dbraw/zinc/47/89/90/823478990.db2.gz RNMNAMINGORMDK-SFHVURJKSA-N 1 1 396.535 4.139 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000410372950 823479265 /nfs/dbraw/zinc/47/92/65/823479265.db2.gz WNKRUNFBWNCTPB-KRWDZBQOSA-N 1 1 395.503 4.011 20 0 GIADMO Cc1sc(-c2ccco2)nc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000029402790 820451001 /nfs/dbraw/zinc/45/10/01/820451001.db2.gz WHFOLXSFGQLHQR-OAHLLOKOSA-N 1 1 389.908 4.398 20 0 GIADMO Cc1nc(CCNc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cs1 ZINC000029461759 820458524 /nfs/dbraw/zinc/45/85/24/820458524.db2.gz KVNLMIFVBPXKIN-UHFFFAOYSA-N 1 1 387.578 4.323 20 0 GIADMO COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)[C@H]3CCc4ccccc43)ccc2c1 ZINC000029488086 820462683 /nfs/dbraw/zinc/46/26/83/820462683.db2.gz FRFBREAVGVENTM-DEOSSOPVSA-N 1 1 388.511 4.426 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCc3nc4ccccc4o3)C2)s1 ZINC000573330356 823480853 /nfs/dbraw/zinc/48/08/53/823480853.db2.gz PXSDVUPOWAAQJO-QGZVFWFLSA-N 1 1 397.544 4.111 20 0 GIADMO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000029499527 820463900 /nfs/dbraw/zinc/46/39/00/820463900.db2.gz HMMNUEZUIIDDQA-ZDUSSCGKSA-N 1 1 379.279 4.213 20 0 GIADMO Fc1ccccc1-c1ccc(C[NH+]2CCN(Cc3nc(C4CC4)no3)CC2)s1 ZINC000029532381 820470049 /nfs/dbraw/zinc/47/00/49/820470049.db2.gz KIZHJXUFDMCWDH-UHFFFAOYSA-N 1 1 398.507 4.132 20 0 GIADMO CCC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)cc1 ZINC000573356776 823483631 /nfs/dbraw/zinc/48/36/31/823483631.db2.gz SQVCHXQJTNRFPC-NRFANRHFSA-N 1 1 382.504 4.099 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3c3cccn3C)cc2)C1 ZINC000410380665 823481759 /nfs/dbraw/zinc/48/17/59/823481759.db2.gz HRBPJFUETQAQGC-WMZHIEFXSA-N 1 1 394.563 4.304 20 0 GIADMO CC[C@](C)(O)C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000189720186 823481799 /nfs/dbraw/zinc/48/17/99/823481799.db2.gz SFGOUWDFOJXYTG-FQEVSTJZSA-N 1 1 394.437 4.307 20 0 GIADMO COc1cccc(-c2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)c1 ZINC000573352981 823483480 /nfs/dbraw/zinc/48/34/80/823483480.db2.gz PDUXKXHPKHPEIW-AUSIDOKSSA-N 1 1 375.472 4.299 20 0 GIADMO CCc1cc2c(ncnc2NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)s1 ZINC000029626542 820487537 /nfs/dbraw/zinc/48/75/37/820487537.db2.gz BWUPHLUTUWSIDB-IBGZPJMESA-N 1 1 382.533 4.048 20 0 GIADMO Cc1sc2ncnc(NC[C@@H](c3cccc(C)c3)[NH+]3CCOCC3)c2c1C ZINC000029626596 820487565 /nfs/dbraw/zinc/48/75/65/820487565.db2.gz SJRGVARBKXIVKS-SFHVURJKSA-N 1 1 382.533 4.102 20 0 GIADMO O=C(CCSc1nc2ccccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000029630192 820488352 /nfs/dbraw/zinc/48/83/52/820488352.db2.gz UIJNHBRMWINQCV-UHFFFAOYSA-N 1 1 397.569 4.123 20 0 GIADMO Cc1cc2ccccc2n1CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029637734 820489574 /nfs/dbraw/zinc/48/95/74/820489574.db2.gz IFCJXXRHZXOWSD-UHFFFAOYSA-N 1 1 382.533 4.421 20 0 GIADMO COc1ccc(C([NH2+]CC(=O)Nc2cccc(C)c2)c2ccc(OC)cc2)cc1 ZINC000029644963 820491007 /nfs/dbraw/zinc/49/10/07/820491007.db2.gz STCDZQJRWBRXFQ-UHFFFAOYSA-N 1 1 390.483 4.330 20 0 GIADMO COc1ccc(C([NH2+]CC(=O)Nc2ccccc2F)c2ccc(OC)cc2)cc1 ZINC000029645050 820491040 /nfs/dbraw/zinc/49/10/40/820491040.db2.gz CGCYWNAWSHBNCE-UHFFFAOYSA-N 1 1 394.446 4.161 20 0 GIADMO Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1 ZINC000059023839 823483902 /nfs/dbraw/zinc/48/39/02/823483902.db2.gz MYODGFJKDISRCM-LJQANCHMSA-N 1 1 393.531 4.046 20 0 GIADMO CCOc1ccccc1N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000029693093 820498772 /nfs/dbraw/zinc/49/87/72/820498772.db2.gz QRKBAKDJOXHMSH-UHFFFAOYSA-N 1 1 381.451 4.202 20 0 GIADMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000029705028 820501762 /nfs/dbraw/zinc/50/17/62/820501762.db2.gz RAMXVMYWWAAAGH-HNNXBMFYSA-N 1 1 377.423 4.254 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177533092 823484252 /nfs/dbraw/zinc/48/42/52/823484252.db2.gz IYNDVJFQZZMTSP-PGRDOPGGSA-N 1 1 388.515 4.306 20 0 GIADMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C(C)C)cc2)C2CC2)cc1 ZINC000029706577 820502641 /nfs/dbraw/zinc/50/26/41/820502641.db2.gz OWEDOHNWZMZSGA-QHCPKHFHSA-N 1 1 396.531 4.173 20 0 GIADMO Cc1ccc(-c2cc(C[N@@H+](C)Cc3ccc(C(=O)NC4CC4)cc3)on2)cc1 ZINC000029720289 820506526 /nfs/dbraw/zinc/50/65/26/820506526.db2.gz KOBAXMGZCNPMIC-UHFFFAOYSA-N 1 1 375.472 4.174 20 0 GIADMO Cc1ccc(-c2cc(C[N@H+](C)Cc3ccc(C(=O)NC4CC4)cc3)on2)cc1 ZINC000029720289 820506533 /nfs/dbraw/zinc/50/65/33/820506533.db2.gz KOBAXMGZCNPMIC-UHFFFAOYSA-N 1 1 375.472 4.174 20 0 GIADMO Cc1c2cccc(F)c2oc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000029773369 820514968 /nfs/dbraw/zinc/51/49/68/820514968.db2.gz AJVGVDVXDIXHBZ-UHFFFAOYSA-N 1 1 384.426 4.368 20 0 GIADMO Cc1c2cccc(F)c2oc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000029773369 820514974 /nfs/dbraw/zinc/51/49/74/820514974.db2.gz AJVGVDVXDIXHBZ-UHFFFAOYSA-N 1 1 384.426 4.368 20 0 GIADMO CC(C)(C)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1Cc1ccccc1 ZINC000573379182 823486413 /nfs/dbraw/zinc/48/64/13/823486413.db2.gz UMDRWTQZIMGBIZ-UHFFFAOYSA-N 1 1 381.568 4.079 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)C1 ZINC000177544827 823487178 /nfs/dbraw/zinc/48/71/78/823487178.db2.gz FKBBYRVSWZXCIA-MRXNPFEDSA-N 1 1 385.512 4.056 20 0 GIADMO CC[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000029908997 820545931 /nfs/dbraw/zinc/54/59/31/820545931.db2.gz GDTQVHPSVYCUDY-NRFANRHFSA-N 1 1 375.516 4.054 20 0 GIADMO CC[C@@H](CNC(=O)CSCc1ccc(F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000029908204 820546173 /nfs/dbraw/zinc/54/61/73/820546173.db2.gz ROUPRCHUXYABMP-NRFANRHFSA-N 1 1 386.536 4.012 20 0 GIADMO CCCCNC(=O)C1CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000029929340 820550222 /nfs/dbraw/zinc/55/02/22/820550222.db2.gz TYELTBGOMATGBM-AWEZNQCLSA-N 1 1 378.467 4.121 20 0 GIADMO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1OCC ZINC000029939366 820551515 /nfs/dbraw/zinc/55/15/15/820551515.db2.gz FZOSTWRNGSHGQJ-GOSISDBHSA-N 1 1 386.492 4.034 20 0 GIADMO C[N@@H+]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000029992250 820563278 /nfs/dbraw/zinc/56/32/78/820563278.db2.gz DPTWJSDWDXRSFC-LJQANCHMSA-N 1 1 398.304 4.059 20 0 GIADMO C[N@H+]1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)[C@@H](c2ccccc2)C1 ZINC000029992250 820563285 /nfs/dbraw/zinc/56/32/85/820563285.db2.gz DPTWJSDWDXRSFC-LJQANCHMSA-N 1 1 398.304 4.059 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 ZINC000030007266 820567546 /nfs/dbraw/zinc/56/75/46/820567546.db2.gz MHILATGEUUCXFU-OAQYLSRUSA-N 1 1 392.430 4.082 20 0 GIADMO COc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1OC(C)C ZINC000189784018 823493774 /nfs/dbraw/zinc/49/37/74/823493774.db2.gz AKBIZJFRSRYGBR-GHTZIAJQSA-N 1 1 383.492 4.049 20 0 GIADMO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3ccc(Br)o3)c2cc1C ZINC000030214601 820587001 /nfs/dbraw/zinc/58/70/01/820587001.db2.gz IWBLNBWRNLLJGR-UHFFFAOYSA-N 1 1 376.250 4.397 20 0 GIADMO Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3ccc(Br)o3)c2cc1C ZINC000030214601 820587010 /nfs/dbraw/zinc/58/70/10/820587010.db2.gz IWBLNBWRNLLJGR-UHFFFAOYSA-N 1 1 376.250 4.397 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000030224536 820590586 /nfs/dbraw/zinc/59/05/86/820590586.db2.gz IYBUXNJISMPWCS-AEFFLSMTSA-N 1 1 388.496 4.295 20 0 GIADMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000030224536 820590589 /nfs/dbraw/zinc/59/05/89/820590589.db2.gz IYBUXNJISMPWCS-AEFFLSMTSA-N 1 1 388.496 4.295 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000123310291 823494571 /nfs/dbraw/zinc/49/45/71/823494571.db2.gz KNFMSQGADCWEMJ-KRWDZBQOSA-N 1 1 388.581 4.409 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000030268729 820593322 /nfs/dbraw/zinc/59/33/22/820593322.db2.gz GDHQKLIBDQHQBE-UHFFFAOYSA-N 1 1 376.497 4.277 20 0 GIADMO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)N(C)C(C)C)CC3)cs2)cc1 ZINC000030272269 820593854 /nfs/dbraw/zinc/59/38/54/820593854.db2.gz PUZYUQHKFIISFH-UHFFFAOYSA-N 1 1 385.577 4.451 20 0 GIADMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000177558430 823490512 /nfs/dbraw/zinc/49/05/12/823490512.db2.gz QVLXDYIWNGIXOZ-FOIQADDNSA-N 1 1 377.513 4.287 20 0 GIADMO CC[C@@H](CNC(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000059308495 823490896 /nfs/dbraw/zinc/49/08/96/823490896.db2.gz ZEPCYMLZJYYRNK-VQTJNVASSA-N 1 1 383.561 4.432 20 0 GIADMO COc1cc(C[NH2+]C2(c3nccs3)CCCC2)cc(Br)c1O ZINC000177560099 823491172 /nfs/dbraw/zinc/49/11/72/823491172.db2.gz MQEINUNMIOIQLU-UHFFFAOYSA-N 1 1 383.311 4.179 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3cccc(Br)c3)CCCC2)CC[N@H+]1C ZINC000123315011 823495204 /nfs/dbraw/zinc/49/52/04/823495204.db2.gz BJULKXJYIYDLTI-QAPCUYQASA-N 1 1 393.369 4.202 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1csc2c1CCCC2 ZINC000059350924 823492910 /nfs/dbraw/zinc/49/29/10/823492910.db2.gz GOAWZNWUFXOSQN-UHFFFAOYSA-N 1 1 390.499 4.300 20 0 GIADMO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000059404448 823495616 /nfs/dbraw/zinc/49/56/16/823495616.db2.gz VFPDRHZCVPSAFJ-RHSMWYFYSA-N 1 1 389.927 4.356 20 0 GIADMO Brc1ccccc1-c1ccc(C[NH2+]Cc2nnc3n2CCC3)s1 ZINC000030652361 820659204 /nfs/dbraw/zinc/65/92/04/820659204.db2.gz KDUGBMZUZYEINU-UHFFFAOYSA-N 1 1 389.322 4.005 20 0 GIADMO O=C(c1cccc2cn[nH]c21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000030698921 820667335 /nfs/dbraw/zinc/66/73/35/820667335.db2.gz LBGUCISBPIVAAQ-UHFFFAOYSA-N 1 1 396.494 4.110 20 0 GIADMO O=C(c1cccc2c[nH]nc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000030698921 820667345 /nfs/dbraw/zinc/66/73/45/820667345.db2.gz LBGUCISBPIVAAQ-UHFFFAOYSA-N 1 1 396.494 4.110 20 0 GIADMO COc1cc(CCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1Cl ZINC000123350858 823500334 /nfs/dbraw/zinc/50/03/34/823500334.db2.gz IIRZYGXRFFMEED-MJGOQNOKSA-N 1 1 392.971 4.394 20 0 GIADMO Cc1csc(C(C)(C)NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000123342483 823498791 /nfs/dbraw/zinc/49/87/91/823498791.db2.gz LQBATOGHBHQFMH-CQSZACIVSA-N 1 1 383.521 4.241 20 0 GIADMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC(F)(F)F)cc1 ZINC000030961032 820712306 /nfs/dbraw/zinc/71/23/06/820712306.db2.gz CRTIMETVRKYMKO-UHFFFAOYSA-N 1 1 382.382 4.054 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC(F)(F)F)cc1 ZINC000030961032 820712310 /nfs/dbraw/zinc/71/23/10/820712310.db2.gz CRTIMETVRKYMKO-UHFFFAOYSA-N 1 1 382.382 4.054 20 0 GIADMO Cc1nc(C)c(C[NH2+][C@@H](C)c2cc3c(cc2Br)OCCO3)s1 ZINC000123390689 823504462 /nfs/dbraw/zinc/50/44/62/823504462.db2.gz KBAZFECVFHLORZ-VIFPVBQESA-N 1 1 383.311 4.144 20 0 GIADMO C[N@@H+](CCCNC(=O)c1cc2c(cccc2OC(F)F)[nH]1)Cc1ccccc1 ZINC000031219952 820773031 /nfs/dbraw/zinc/77/30/31/820773031.db2.gz CXKZKGLVHOKYKU-UHFFFAOYSA-N 1 1 387.430 4.021 20 0 GIADMO COc1ccc(CN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)C2CC2)cc1 ZINC000123366564 823502154 /nfs/dbraw/zinc/50/21/54/823502154.db2.gz HFHQOBSHGWDDNS-HSZRJFAPSA-N 1 1 394.515 4.032 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)c2C(C)C)cc1 ZINC000060207124 823511761 /nfs/dbraw/zinc/51/17/61/823511761.db2.gz GBZYHGYMHSBEKT-IBGZPJMESA-N 1 1 382.552 4.154 20 0 GIADMO C[C@@H]1CCCC[C@H]1[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1 ZINC000031468650 820814792 /nfs/dbraw/zinc/81/47/92/820814792.db2.gz XXCUQFLHOGXNFC-WIYYLYMNSA-N 1 1 379.504 4.145 20 0 GIADMO C[C@H]1CCCC[C@H]1[NH+](CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1 ZINC000031468654 820814837 /nfs/dbraw/zinc/81/48/37/820814837.db2.gz XXCUQFLHOGXNFC-GHTZIAJQSA-N 1 1 379.504 4.145 20 0 GIADMO CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1cccc2ncccc21 ZINC000410624473 823506949 /nfs/dbraw/zinc/50/69/49/823506949.db2.gz LRADSGCBSNAKCQ-HUUCEWRRSA-N 1 1 379.426 4.106 20 0 GIADMO CCSc1cc(Cl)ccc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000460769129 823507456 /nfs/dbraw/zinc/50/74/56/823507456.db2.gz NGDQRLUZULAESF-KBPBESRZSA-N 1 1 384.973 4.070 20 0 GIADMO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031544643 820823405 /nfs/dbraw/zinc/82/34/05/820823405.db2.gz HLOBYXHADYWQLV-FQEVSTJZSA-N 1 1 377.463 4.077 20 0 GIADMO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031566862 820827086 /nfs/dbraw/zinc/82/70/86/820827086.db2.gz TWWSLEBMQRCITL-FQEVSTJZSA-N 1 1 375.472 4.044 20 0 GIADMO C[C@@H](NC(=O)N(Cc1c(F)cccc1F)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189866646 823507997 /nfs/dbraw/zinc/50/79/97/823507997.db2.gz GUPISOQVKOKHMA-CVEARBPZSA-N 1 1 391.506 4.292 20 0 GIADMO O=c1c2cc(-c3ccccc3)sc2ncn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000031629165 820836609 /nfs/dbraw/zinc/83/66/09/820836609.db2.gz YXRNYCSEIIAMNB-UHFFFAOYSA-N 1 1 398.491 4.418 20 0 GIADMO Cc1ccccc1NC(=O)Cc1nc(C[N@H+](C)CCc2cccs2)cs1 ZINC000177657286 823508819 /nfs/dbraw/zinc/50/88/19/823508819.db2.gz PMGBVNPMEQHVAK-UHFFFAOYSA-N 1 1 385.558 4.369 20 0 GIADMO Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C)CCc2cccs2)cs1 ZINC000177657286 823508821 /nfs/dbraw/zinc/50/88/21/823508821.db2.gz PMGBVNPMEQHVAK-UHFFFAOYSA-N 1 1 385.558 4.369 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)n1 ZINC000177657598 823508856 /nfs/dbraw/zinc/50/88/56/823508856.db2.gz HOFLPPRZYQPHKI-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C2)n1 ZINC000177657598 823508860 /nfs/dbraw/zinc/50/88/60/823508860.db2.gz HOFLPPRZYQPHKI-QGZVFWFLSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000031766608 820857337 /nfs/dbraw/zinc/85/73/37/820857337.db2.gz ZXEQTNUGLXUMLG-UHFFFAOYSA-N 1 1 389.499 4.307 20 0 GIADMO CC[NH+](CC)[C@@H](CNC(=O)CCC(=O)c1cc(C)sc1C)c1ccco1 ZINC000060157056 823510403 /nfs/dbraw/zinc/51/04/03/823510403.db2.gz JGIYYTJNUFLYGJ-KRWDZBQOSA-N 1 1 376.522 4.120 20 0 GIADMO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000060159713 823510599 /nfs/dbraw/zinc/51/05/99/823510599.db2.gz XHPIPDHWFMBFQB-IBGZPJMESA-N 1 1 386.923 4.056 20 0 GIADMO CCOc1cccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000060185076 823511191 /nfs/dbraw/zinc/51/11/91/823511191.db2.gz RHUXYCWIRLZPET-YLJYHZDGSA-N 1 1 384.495 4.314 20 0 GIADMO C[C@@H](CNC(=O)Cc1coc2cc3c(cc12)CCC3)[N@@H+]1CCc2sccc2C1 ZINC000031963851 820880882 /nfs/dbraw/zinc/88/08/82/820880882.db2.gz FQTMTWKVUQLMAK-HNNXBMFYSA-N 1 1 394.540 4.089 20 0 GIADMO C[C@@H](CNC(=O)Cc1coc2cc3c(cc12)CCC3)[N@H+]1CCc2sccc2C1 ZINC000031963851 820880892 /nfs/dbraw/zinc/88/08/92/820880892.db2.gz FQTMTWKVUQLMAK-HNNXBMFYSA-N 1 1 394.540 4.089 20 0 GIADMO Cc1nc([C@H](C)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000189956667 823517694 /nfs/dbraw/zinc/51/76/94/823517694.db2.gz WBUCZGKOVMVZSF-ZBFHGGJFSA-N 1 1 391.943 4.141 20 0 GIADMO O=C(NCc1ccccc1Cl)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244789 823513122 /nfs/dbraw/zinc/51/31/22/823513122.db2.gz MPMOAFAUDNDKBC-OAHLLOKOSA-N 1 1 377.941 4.113 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)CCCSc2ccc(Br)cc2)CC[N@H+]1C ZINC000123488192 823513947 /nfs/dbraw/zinc/51/39/47/823513947.db2.gz RHZCKXSQPAMQJJ-ZBFHGGJFSA-N 1 1 399.398 4.263 20 0 GIADMO CCCCC1CCC(C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000060303081 823514734 /nfs/dbraw/zinc/51/47/34/823514734.db2.gz JHYMVDFOJBUPMS-UHFFFAOYSA-N 1 1 399.579 4.399 20 0 GIADMO CC(C)Oc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cs2)cc1 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383.344 4.160 20 0 GIADMO Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000032428161 820942116 /nfs/dbraw/zinc/94/21/16/820942116.db2.gz CCKAYCJXAHOPJL-QGZVFWFLSA-N 1 1 386.561 4.122 20 0 GIADMO Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000032428161 820942122 /nfs/dbraw/zinc/94/21/22/820942122.db2.gz CCKAYCJXAHOPJL-QGZVFWFLSA-N 1 1 386.561 4.122 20 0 GIADMO C[C@H](CNC(=O)C1(c2cccc(F)c2)CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000032429556 820942727 /nfs/dbraw/zinc/94/27/27/820942727.db2.gz SLLBRCFCWQFVLL-MRXNPFEDSA-N 1 1 386.536 4.262 20 0 GIADMO C[C@H](CNC(=O)C1(c2cccc(F)c2)CCCC1)[N@H+]1CCc2sccc2C1 ZINC000032429556 820942729 /nfs/dbraw/zinc/94/27/29/820942729.db2.gz SLLBRCFCWQFVLL-MRXNPFEDSA-N 1 1 386.536 4.262 20 0 GIADMO Cc1ccc2c(C[N@@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)cc(=O)oc2c1C ZINC000177726130 823517308 /nfs/dbraw/zinc/51/73/08/823517308.db2.gz IWBMXCLKCKZRIX-JWIGPWBQSA-N 1 1 383.513 4.340 20 0 GIADMO Cc1ccc2c(C[N@H+](C)[C@H](C)c3ccc([S@](C)=O)cc3)cc(=O)oc2c1C ZINC000177726130 823517309 /nfs/dbraw/zinc/51/73/09/823517309.db2.gz IWBMXCLKCKZRIX-JWIGPWBQSA-N 1 1 383.513 4.340 20 0 GIADMO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1ccccc1 ZINC000032510387 820962993 /nfs/dbraw/zinc/96/29/93/820962993.db2.gz DTHXDVCSHJLSBZ-GOSISDBHSA-N 1 1 379.485 4.151 20 0 GIADMO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)Cc1ccccc1 ZINC000032510387 820962998 /nfs/dbraw/zinc/96/29/98/820962998.db2.gz DTHXDVCSHJLSBZ-GOSISDBHSA-N 1 1 379.485 4.151 20 0 GIADMO CCc1ccc(C[N@H+](C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 ZINC000032510774 820963184 /nfs/dbraw/zinc/96/31/84/820963184.db2.gz ZQBHXMCCSCUDKF-HXUWFJFHSA-N 1 1 391.471 4.245 20 0 GIADMO CCc1ccc(C[N@@H+](C)CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 ZINC000032510774 820963192 /nfs/dbraw/zinc/96/31/92/820963192.db2.gz ZQBHXMCCSCUDKF-HXUWFJFHSA-N 1 1 391.471 4.245 20 0 GIADMO C[C@@H](CNC(=O)c1cc2cc(Cl)ccc2o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000032724915 820997692 /nfs/dbraw/zinc/99/76/92/820997692.db2.gz VGGHHKMCMSJMLA-INIZCTEOSA-N 1 1 397.906 4.027 20 0 GIADMO C[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc32)cc1)[N@H+]1CCCC[C@H]1C ZINC000032733112 820999514 /nfs/dbraw/zinc/99/95/14/820999514.db2.gz LYXUXVAZWRZSQZ-MSOLQXFVSA-N 1 1 376.504 4.018 20 0 GIADMO CC(C)c1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c2cnn(C(C)C)c2n1 ZINC000032732987 820999632 /nfs/dbraw/zinc/99/96/32/820999632.db2.gz SLMPUXUCDHEQNA-DLBZAZTESA-N 1 1 385.556 4.128 20 0 GIADMO C[C@@H](CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000032733402 821000705 /nfs/dbraw/zinc/00/07/05/821000705.db2.gz YIDJUYPCTKABCG-HOTGVXAUSA-N 1 1 375.513 4.026 20 0 GIADMO COCC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000032773205 821007098 /nfs/dbraw/zinc/00/70/98/821007098.db2.gz QVVIFCSQHYBLAR-OAHLLOKOSA-N 1 1 395.330 4.319 20 0 GIADMO COCC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000032773205 821007107 /nfs/dbraw/zinc/00/71/07/821007107.db2.gz QVVIFCSQHYBLAR-OAHLLOKOSA-N 1 1 395.330 4.319 20 0 GIADMO CCCc1cccc(C(C)C)c1NC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000189984058 823521633 /nfs/dbraw/zinc/52/16/33/823521633.db2.gz TYNBASRNAUQENM-UHFFFAOYSA-N 1 1 388.600 4.302 20 0 GIADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NC(=O)CC(C)C)ccc1Cl ZINC000177761372 823521866 /nfs/dbraw/zinc/52/18/66/823521866.db2.gz MPOCEYFOZXEGIX-SJORKVTESA-N 1 1 391.943 4.023 20 0 GIADMO CC(=O)Nc1nc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cs1 ZINC000032967834 821023541 /nfs/dbraw/zinc/02/35/41/821023541.db2.gz DASJCTUZFZJBIH-UHFFFAOYSA-N 1 1 386.521 4.118 20 0 GIADMO Cc1cccc(NC(=O)c2ccccc2NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000123567529 823522282 /nfs/dbraw/zinc/52/22/82/823522282.db2.gz JCHGFAMSFZSGJC-UHFFFAOYSA-N 1 1 376.460 4.206 20 0 GIADMO Cc1c(C(=O)NCCC[N@H+](C)C2CCCCC2)cnn1-c1ccc(Cl)cc1 ZINC000033006421 821026187 /nfs/dbraw/zinc/02/61/87/821026187.db2.gz SYEKNXGVFWDXDH-UHFFFAOYSA-N 1 1 388.943 4.219 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189993414 823522944 /nfs/dbraw/zinc/52/29/44/823522944.db2.gz DVLOSVFZFSKIHP-NRFANRHFSA-N 1 1 396.535 4.478 20 0 GIADMO O=C1NC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)Nc2cccc(Cl)c21 ZINC000034812240 821062728 /nfs/dbraw/zinc/06/27/28/821062728.db2.gz ORJSEIYXQFSCBC-UHFFFAOYSA-N 1 1 376.287 4.141 20 0 GIADMO COc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c1OC ZINC000035718656 821066504 /nfs/dbraw/zinc/06/65/04/821066504.db2.gz RVSFQJKEIKRFEK-QFIPXVFZSA-N 1 1 377.484 4.440 20 0 GIADMO CCCCOc1c(Cl)cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000123651038 823529275 /nfs/dbraw/zinc/52/92/75/823529275.db2.gz ZBCQKAXRUHLXEM-ZBFHGGJFSA-N 1 1 382.932 4.082 20 0 GIADMO COc1ccc(OC)c(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000060426018 823525913 /nfs/dbraw/zinc/52/59/13/823525913.db2.gz GYYSNRCDKYKXDD-QGZVFWFLSA-N 1 1 382.504 4.008 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000039563834 821116110 /nfs/dbraw/zinc/11/61/10/821116110.db2.gz QFNUGQSZBNDKTK-UHFFFAOYSA-N 1 1 384.545 4.500 20 0 GIADMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000040149687 821149685 /nfs/dbraw/zinc/14/96/85/821149685.db2.gz TZYUSAKGPXKKBB-UHFFFAOYSA-N 1 1 392.421 4.152 20 0 GIADMO Cc1noc2nc(C)cc(C(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)c12 ZINC000060475287 823532166 /nfs/dbraw/zinc/53/21/66/823532166.db2.gz RUMVLQADTAGUGR-MRXNPFEDSA-N 1 1 392.503 4.144 20 0 GIADMO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060482146 823532844 /nfs/dbraw/zinc/53/28/44/823532844.db2.gz BRSODONMECTWLR-MRXNPFEDSA-N 1 1 378.944 4.128 20 0 GIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000190065685 823532959 /nfs/dbraw/zinc/53/29/59/823532959.db2.gz XOWDOTHJSMHEKS-BDJLRTHQSA-N 1 1 387.833 4.056 20 0 GIADMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000190065685 823532963 /nfs/dbraw/zinc/53/29/63/823532963.db2.gz XOWDOTHJSMHEKS-BDJLRTHQSA-N 1 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O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000044308893 821565671 /nfs/dbraw/zinc/56/56/71/821565671.db2.gz TXGSLXJOYWAQGW-UHFFFAOYSA-N 1 1 390.487 4.445 20 0 GIADMO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000180992050 821579712 /nfs/dbraw/zinc/57/97/12/821579712.db2.gz BGTMVLWXYOVYCU-CABCVRRESA-N 1 1 380.492 4.435 20 0 GIADMO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(OC)cc1 ZINC000181019959 821596593 /nfs/dbraw/zinc/59/65/93/821596593.db2.gz QKEWIELFPFILDN-LMNJBCLMSA-N 1 1 386.561 4.450 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)[C@@H]1c1cccs1 ZINC000181020103 821596598 /nfs/dbraw/zinc/59/65/98/821596598.db2.gz DAEXUVSDEJAHDD-XMSQKQJNSA-N 1 1 381.545 4.361 20 0 GIADMO Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c(Cl)n1 ZINC000044520768 821598775 /nfs/dbraw/zinc/59/87/75/821598775.db2.gz IEZQYMMNSZMING-KRWDZBQOSA-N 1 1 378.303 4.264 20 0 GIADMO Clc1cc(Br)cc(Cl)c1OCC[NH2+]Cc1cscn1 ZINC000181023919 821598980 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/nfs/dbraw/zinc/68/76/08/821687608.db2.gz FKWNEDQFGNHIRH-JTSKRJEESA-N 1 1 395.551 4.088 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000045003306 821689025 /nfs/dbraw/zinc/68/90/25/821689025.db2.gz RBMKTWPPKXCFQU-MRXNPFEDSA-N 1 1 396.487 4.101 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)cc1OC ZINC000045003306 821689029 /nfs/dbraw/zinc/68/90/29/821689029.db2.gz RBMKTWPPKXCFQU-MRXNPFEDSA-N 1 1 396.487 4.101 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc(Cl)cc(Cl)n1 ZINC000181230949 821708706 /nfs/dbraw/zinc/70/87/06/821708706.db2.gz WOARTBFSFQRQJI-CQSZACIVSA-N 1 1 378.303 4.125 20 0 GIADMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2nncs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181273990 821727727 /nfs/dbraw/zinc/72/77/27/821727727.db2.gz QDSGPZQLGYYMBK-KGLIPLIRSA-N 1 1 397.907 4.066 20 0 GIADMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2nncs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181273990 821727733 /nfs/dbraw/zinc/72/77/33/821727733.db2.gz QDSGPZQLGYYMBK-KGLIPLIRSA-N 1 1 397.907 4.066 20 0 GIADMO C[C@@H]([NH2+]Cc1coc(-c2c(F)cccc2F)n1)c1ccc(N2CCOC2=O)cc1 ZINC000181284711 821735247 /nfs/dbraw/zinc/73/52/47/821735247.db2.gz MJZPFESZIDVGEM-CYBMUJFWSA-N 1 1 399.397 4.427 20 0 GIADMO c1coc(-c2cc(C[N@H+]3CCC[C@H](c4nc(-c5ccccc5)n[nH]4)C3)no2)c1 ZINC000181309174 821748317 /nfs/dbraw/zinc/74/83/17/821748317.db2.gz NWEBLUIIGDPPAH-INIZCTEOSA-N 1 1 375.432 4.099 20 0 GIADMO CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)s1 ZINC000181339135 821770379 /nfs/dbraw/zinc/77/03/79/821770379.db2.gz JVEOOLZBMJXCIL-NVXWUHKLSA-N 1 1 388.581 4.237 20 0 GIADMO Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1 ZINC000181381208 821796891 /nfs/dbraw/zinc/79/68/91/821796891.db2.gz UVPXJNSTXKXCML-JOCHJYFZSA-N 1 1 399.494 4.221 20 0 GIADMO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)n2C)cc1OCC ZINC000181385455 821799465 /nfs/dbraw/zinc/79/94/65/821799465.db2.gz HYVPNZZJAMHFCS-MRXNPFEDSA-N 1 1 380.492 4.130 20 0 GIADMO COC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccc(F)c(F)c1 ZINC000181414881 821813538 /nfs/dbraw/zinc/81/35/38/821813538.db2.gz BIRYGXRADWMJDJ-LJQANCHMSA-N 1 1 376.447 4.312 20 0 GIADMO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000181416612 821814290 /nfs/dbraw/zinc/81/42/90/821814290.db2.gz UVSOWZZBPZAJMV-KYNGSXCRSA-N 1 1 386.458 4.004 20 0 GIADMO Nc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)nc2ccccc12 ZINC000181417001 821815243 /nfs/dbraw/zinc/81/52/43/821815243.db2.gz HSGADPJQPADHRX-YJBOKZPZSA-N 1 1 382.533 4.142 20 0 GIADMO COc1ccccc1[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)c1ccco1 ZINC000181432050 821824140 /nfs/dbraw/zinc/82/41/40/821824140.db2.gz SLEOOHSZGCNGNJ-JLTOFOAXSA-N 1 1 399.878 4.433 20 0 GIADMO COC[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccc(F)c(F)c1 ZINC000181436827 821826383 /nfs/dbraw/zinc/82/63/83/821826383.db2.gz ICBFYICMAWBNCG-GOSISDBHSA-N 1 1 380.460 4.216 20 0 GIADMO CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000181456466 821834234 /nfs/dbraw/zinc/83/42/34/821834234.db2.gz HZYVEGVBQNISCX-SFHVURJKSA-N 1 1 392.547 4.301 20 0 GIADMO c1[nH]c([C@H]2CCC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1-c1ccccc1 ZINC000181464224 821838342 /nfs/dbraw/zinc/83/83/42/821838342.db2.gz WLIDXVIYVOQVBV-SFHVURJKSA-N 1 1 388.519 4.260 20 0 GIADMO c1[nH]c([C@H]2CCC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)nc1-c1ccccc1 ZINC000181464224 821838349 /nfs/dbraw/zinc/83/83/49/821838349.db2.gz WLIDXVIYVOQVBV-SFHVURJKSA-N 1 1 388.519 4.260 20 0 GIADMO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cn1 ZINC000181492168 821851092 /nfs/dbraw/zinc/85/10/92/821851092.db2.gz FCRMWJHBZUOEKZ-UHFFFAOYSA-N 1 1 378.303 4.091 20 0 GIADMO Cc1ccccc1[C@@H](OC[C@H](O)C[N@@H+](C)CCc1ccncc1)c1ccccc1 ZINC000181494042 821852318 /nfs/dbraw/zinc/85/23/18/821852318.db2.gz MHIKOUMDCTXZRH-NOZRDPDXSA-N 1 1 390.527 4.031 20 0 GIADMO Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181513085 821861779 /nfs/dbraw/zinc/86/17/79/821861779.db2.gz IJRZKNAKJNCFSB-PBHICJAKSA-N 1 1 375.582 4.492 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000181516208 821863245 /nfs/dbraw/zinc/86/32/45/821863245.db2.gz NKMGEZFXHHMEKT-INIZCTEOSA-N 1 1 395.425 4.081 20 0 GIADMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000181516208 821863253 /nfs/dbraw/zinc/86/32/53/821863253.db2.gz NKMGEZFXHHMEKT-INIZCTEOSA-N 1 1 395.425 4.081 20 0 GIADMO C[C@@H](NC(=O)CCc1ccc(Br)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181521745 821865157 /nfs/dbraw/zinc/86/51/57/821865157.db2.gz SGXGIRHGDMJHQW-WBVHZDCISA-N 1 1 393.369 4.151 20 0 GIADMO Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)s2)o1 ZINC000181528715 821867842 /nfs/dbraw/zinc/86/78/42/821867842.db2.gz HSMIOPLQHKWEDM-ZBFHGGJFSA-N 1 1 387.549 4.403 20 0 GIADMO CCCCOc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000181533475 821870649 /nfs/dbraw/zinc/87/06/49/821870649.db2.gz HASVANKQLLYCNR-MJGOQNOKSA-N 1 1 388.552 4.257 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3cc(C)cc(Br)c3o2)[C@H](C)C1 ZINC000181537816 821872480 /nfs/dbraw/zinc/87/24/80/821872480.db2.gz NSOOEXQFGIGESN-CJNGLKHVSA-N 1 1 393.325 4.306 20 0 GIADMO CC(C)n1cc(Br)cc1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181538676 821873021 /nfs/dbraw/zinc/87/30/21/821873021.db2.gz JXUBWYWHZYMFKY-HUUCEWRRSA-N 1 1 396.373 4.214 20 0 GIADMO CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181538695 821873076 /nfs/dbraw/zinc/87/30/76/821873076.db2.gz JXUBWYWHZYMFKY-GJZGRUSLSA-N 1 1 396.373 4.214 20 0 GIADMO C[C@H](NC(=O)c1cccc(Br)c1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181540313 821873638 /nfs/dbraw/zinc/87/36/38/821873638.db2.gz WDGPUEOXOOOACC-QWHCGFSZSA-N 1 1 399.760 4.485 20 0 GIADMO Cc1cc(Br)ccc1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181540077 821873838 /nfs/dbraw/zinc/87/38/38/821873838.db2.gz PSGDHNQRXMDFHU-NVXWUHKLSA-N 1 1 393.369 4.069 20 0 GIADMO C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181543513 821874705 /nfs/dbraw/zinc/87/47/05/821874705.db2.gz AEFDIKKRJQCIQU-IRXDYDNUSA-N 1 1 399.510 4.183 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1cccc(O)c1 ZINC000181562945 821882135 /nfs/dbraw/zinc/88/21/35/821882135.db2.gz GGIRTGBWTWJMTF-KBXCAEBGSA-N 1 1 395.484 4.075 20 0 GIADMO Cc1csc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc(Br)cc2)C2CC2)n1 ZINC000181595928 821896137 /nfs/dbraw/zinc/89/61/37/821896137.db2.gz YJIYFABTAOCXMI-ABAIWWIYSA-N 1 1 394.338 4.282 20 0 GIADMO C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181628244 821911882 /nfs/dbraw/zinc/91/18/82/821911882.db2.gz AHYPKYJNZOELCR-QFBILLFUSA-N 1 1 380.532 4.233 20 0 GIADMO CC(C)(COc1ncccc1C(F)(F)F)[NH2+]Cc1nc(-c2cccs2)no1 ZINC000181655627 821926178 /nfs/dbraw/zinc/92/61/78/821926178.db2.gz QJBIMNKFYFXGHJ-UHFFFAOYSA-N 1 1 398.410 4.159 20 0 GIADMO C[N@H+](Cc1cc(Br)ccc1F)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181668005 821934205 /nfs/dbraw/zinc/93/42/05/821934205.db2.gz KJSAZHJLSGAVCA-UHFFFAOYSA-N 1 1 399.348 4.305 20 0 GIADMO C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669512 821934708 /nfs/dbraw/zinc/93/47/08/821934708.db2.gz SXIIHACIDVOGQE-HKUYNNGSSA-N 1 1 397.588 4.046 20 0 GIADMO C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181669911 821935718 /nfs/dbraw/zinc/93/57/18/821935718.db2.gz YLAWHFRWRPRQMJ-HUUCEWRRSA-N 1 1 387.524 4.332 20 0 GIADMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000181674297 821937738 /nfs/dbraw/zinc/93/77/38/821937738.db2.gz FBTOUUYHMGJJCH-CQSZACIVSA-N 1 1 393.503 4.073 20 0 GIADMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000181674297 821937747 /nfs/dbraw/zinc/93/77/47/821937747.db2.gz FBTOUUYHMGJJCH-CQSZACIVSA-N 1 1 393.503 4.073 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000181720609 821960954 /nfs/dbraw/zinc/96/09/54/821960954.db2.gz VOLOORTVNHOZQZ-PIGZYNQJSA-N 1 1 387.332 4.443 20 0 GIADMO C[C@@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccc(-n2cccn2)cc1 ZINC000181765082 821983074 /nfs/dbraw/zinc/98/30/74/821983074.db2.gz DIQNXPKDBBEOQX-OAHLLOKOSA-N 1 1 379.414 4.187 20 0 GIADMO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1cccc(N2CCCC2)c1 ZINC000181861741 822019682 /nfs/dbraw/zinc/01/96/82/822019682.db2.gz CKWAIZZHLABSKE-MRXNPFEDSA-N 1 1 381.911 4.372 20 0 GIADMO CC(C)c1ccc([C@@H]([NH2+]Cc2csc(CS(C)(=O)=O)n2)C(C)C)cc1 ZINC000181941706 822041520 /nfs/dbraw/zinc/04/15/20/822041520.db2.gz GJQZCNHLTMRGRG-IBGZPJMESA-N 1 1 380.579 4.298 20 0 GIADMO CC(C)[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(Cl)cc1F ZINC000181954617 822044403 /nfs/dbraw/zinc/04/44/03/822044403.db2.gz ONZNEPVMSBMLET-OAQYLSRUSA-N 1 1 390.934 4.113 20 0 GIADMO CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000181978382 822051330 /nfs/dbraw/zinc/05/13/30/822051330.db2.gz GDLPJEBXULNVEC-UHFFFAOYSA-N 1 1 399.988 4.151 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(F)c1F ZINC000181994858 822056915 /nfs/dbraw/zinc/05/69/15/822056915.db2.gz BIINCDICUMNJJT-ZJUUUORDSA-N 1 1 383.782 4.204 20 0 GIADMO C[C@H]([NH2+]Cc1coc(-c2cccc(Cl)c2)n1)c1ccc(-n2ccnn2)cc1 ZINC000182051811 822074526 /nfs/dbraw/zinc/07/45/26/822074526.db2.gz WSAXWHGMNBMKGB-AWEZNQCLSA-N 1 1 379.851 4.427 20 0 GIADMO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000182075981 822083435 /nfs/dbraw/zinc/08/34/35/822083435.db2.gz VWPYWUDYUNXUCN-KCGBSUFVSA-N 1 1 377.532 4.491 20 0 GIADMO CC(=O)Nc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000182075981 822083444 /nfs/dbraw/zinc/08/34/44/822083444.db2.gz VWPYWUDYUNXUCN-KCGBSUFVSA-N 1 1 377.532 4.491 20 0 GIADMO CC(=O)Nc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000182075981 822083451 /nfs/dbraw/zinc/08/34/51/822083451.db2.gz VWPYWUDYUNXUCN-KCGBSUFVSA-N 1 1 377.532 4.491 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000182125165 822104928 /nfs/dbraw/zinc/10/49/28/822104928.db2.gz HKTKJRIZLCGFPQ-UHFFFAOYSA-N 1 1 393.447 4.014 20 0 GIADMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)CCc1ccccc1 ZINC000182198805 822143134 /nfs/dbraw/zinc/14/31/34/822143134.db2.gz DTIUMCLHKMMDSW-INIZCTEOSA-N 1 1 395.330 4.248 20 0 GIADMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)CCc1ccccc1 ZINC000182198805 822143139 /nfs/dbraw/zinc/14/31/39/822143139.db2.gz DTIUMCLHKMMDSW-INIZCTEOSA-N 1 1 395.330 4.248 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)cc1 ZINC000182218634 822153373 /nfs/dbraw/zinc/15/33/73/822153373.db2.gz OZMITEXWXOZDBX-HNNXBMFYSA-N 1 1 394.441 4.462 20 0 GIADMO COC(=O)c1occc1C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000182232251 822158659 /nfs/dbraw/zinc/15/86/59/822158659.db2.gz IOVWTYBBGSHNMX-LBPRGKRZSA-N 1 1 386.473 4.358 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182243300 822164204 /nfs/dbraw/zinc/16/42/04/822164204.db2.gz PIKBRTBSZCLPOX-OXJNMPFZSA-N 1 1 387.593 4.382 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182243300 822164208 /nfs/dbraw/zinc/16/42/08/822164208.db2.gz PIKBRTBSZCLPOX-OXJNMPFZSA-N 1 1 387.593 4.382 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000182308055 822197113 /nfs/dbraw/zinc/19/71/13/822197113.db2.gz AHRPXQWLMCUDJI-HZPDHXFCSA-N 1 1 381.701 4.370 20 0 GIADMO C[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182353150 822211744 /nfs/dbraw/zinc/21/17/44/822211744.db2.gz ZWIVZGAKNHFVPL-GOEBONIOSA-N 1 1 383.458 4.158 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@H](CCO)c3ccc(OC)cc3)cs2)cc1 ZINC000182388018 822225215 /nfs/dbraw/zinc/22/52/15/822225215.db2.gz JLVWABWLBCPJKH-OAQYLSRUSA-N 1 1 398.528 4.431 20 0 GIADMO OCCC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1 ZINC000182438378 822243050 /nfs/dbraw/zinc/24/30/50/822243050.db2.gz NCWBXEOLQWSZLJ-LJQANCHMSA-N 1 1 391.302 4.178 20 0 GIADMO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(C)noc1C ZINC000182460455 822251252 /nfs/dbraw/zinc/25/12/52/822251252.db2.gz GVDNPHHTMVHATJ-JKSUJKDBSA-N 1 1 382.291 4.444 20 0 GIADMO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1c(C)noc1C ZINC000182460509 822251289 /nfs/dbraw/zinc/25/12/89/822251289.db2.gz GVDNPHHTMVHATJ-CVEARBPZSA-N 1 1 382.291 4.444 20 0 GIADMO COc1ccc(-c2noc([C@H](C)[NH+]3CCC(OCc4ccccc4)CC3)n2)cc1 ZINC000177946862 822253388 /nfs/dbraw/zinc/25/33/88/822253388.db2.gz SURHMLCLOGOSLF-KRWDZBQOSA-N 1 1 393.487 4.487 20 0 GIADMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1c(C)noc1C ZINC000182482415 822259790 /nfs/dbraw/zinc/25/97/90/822259790.db2.gz HRANVHXZQJUEDY-IONNQARKSA-N 1 1 391.340 4.055 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)c1c(C)noc1C ZINC000182481897 822259854 /nfs/dbraw/zinc/25/98/54/822259854.db2.gz OCHKEBNMDFZWGU-GOSISDBHSA-N 1 1 398.532 4.327 20 0 GIADMO CC[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1c(C)noc1C ZINC000182505676 822272828 /nfs/dbraw/zinc/27/28/28/822272828.db2.gz BDQVXSGNBCIZSK-CQSZACIVSA-N 1 1 391.320 4.113 20 0 GIADMO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000177994562 822274899 /nfs/dbraw/zinc/27/48/99/822274899.db2.gz NIDCGMDQGSQWLU-LLVKDONJSA-N 1 1 387.402 4.192 20 0 GIADMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000177994562 822274904 /nfs/dbraw/zinc/27/49/04/822274904.db2.gz NIDCGMDQGSQWLU-LLVKDONJSA-N 1 1 387.402 4.192 20 0 GIADMO Fc1ccc(F)c(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000177997765 822275996 /nfs/dbraw/zinc/27/59/96/822275996.db2.gz BYIXQPDKYXUHAQ-LBPRGKRZSA-N 1 1 396.363 4.406 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCCOCc1ccccc1 ZINC000182524846 822282478 /nfs/dbraw/zinc/28/24/78/822282478.db2.gz YUBLXIDRBGRGFL-NRFANRHFSA-N 1 1 382.504 4.013 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)C1 ZINC000178019613 822285207 /nfs/dbraw/zinc/28/52/07/822285207.db2.gz HRNZQNSFRXXOCL-QGZVFWFLSA-N 1 1 383.492 4.293 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(OCc3ccccc3C)c2)C1 ZINC000178035253 822292129 /nfs/dbraw/zinc/29/21/29/822292129.db2.gz HFDZBBMFLYITKX-IBGZPJMESA-N 1 1 381.520 4.380 20 0 GIADMO CCc1cnccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000182540873 822292438 /nfs/dbraw/zinc/29/24/38/822292438.db2.gz VDVAYVOBMCKNHD-UHFFFAOYSA-N 1 1 392.330 4.345 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(COCc3ccccc3)cc2)C1 ZINC000178041028 822295429 /nfs/dbraw/zinc/29/54/29/822295429.db2.gz WJMVCDUDWZCQKV-OAQYLSRUSA-N 1 1 381.520 4.209 20 0 GIADMO O[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000182552287 822298137 /nfs/dbraw/zinc/29/81/37/822298137.db2.gz ISBONSVXBHKEDB-HOTGVXAUSA-N 1 1 384.467 4.335 20 0 GIADMO COc1cc([C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)ccc1OC(F)F ZINC000178046579 822298680 /nfs/dbraw/zinc/29/86/80/822298680.db2.gz HXAIKXXYIQORIN-UONOGXRCSA-N 1 1 388.418 4.289 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178049099 822300460 /nfs/dbraw/zinc/30/04/60/822300460.db2.gz VKACBDRSNKJDKP-QGZVFWFLSA-N 1 1 395.528 4.354 20 0 GIADMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178049099 822300467 /nfs/dbraw/zinc/30/04/67/822300467.db2.gz VKACBDRSNKJDKP-QGZVFWFLSA-N 1 1 395.528 4.354 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1)c1ccccc1 ZINC000178056999 822303518 /nfs/dbraw/zinc/30/35/18/822303518.db2.gz UUFAYLOVMBUTTB-QGZVFWFLSA-N 1 1 393.462 4.123 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1)c1ccccc1 ZINC000178056999 822303529 /nfs/dbraw/zinc/30/35/29/822303529.db2.gz UUFAYLOVMBUTTB-QGZVFWFLSA-N 1 1 393.462 4.123 20 0 GIADMO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182567406 822306584 /nfs/dbraw/zinc/30/65/84/822306584.db2.gz UPQVUDGYCYVGLT-HNNXBMFYSA-N 1 1 376.485 4.499 20 0 GIADMO CN(C)C(=O)Cc1nc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)cs1 ZINC000182584068 822312356 /nfs/dbraw/zinc/31/23/56/822312356.db2.gz DXUHZEQGGQZNEP-IBGZPJMESA-N 1 1 377.941 4.058 20 0 GIADMO CCC[N@@H+](CCC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000182637645 822334075 /nfs/dbraw/zinc/33/40/75/822334075.db2.gz DTNXLTHEBNCALQ-UHFFFAOYSA-N 1 1 396.506 4.415 20 0 GIADMO C[C@H](NC(=O)NCc1ccccc1OC1CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182646855 822337451 /nfs/dbraw/zinc/33/74/51/822337451.db2.gz YZCOSCMORUZFBP-PKOBYXMFSA-N 1 1 385.552 4.070 20 0 GIADMO O=C1C[C@@H](c2ccccc2F)CN1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000182655198 822340290 /nfs/dbraw/zinc/34/02/90/822340290.db2.gz VJNWZLRYXNOJLN-DLBZAZTESA-N 1 1 393.462 4.120 20 0 GIADMO O=C1C[C@@H](c2ccccc2F)CN1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000182655198 822340299 /nfs/dbraw/zinc/34/02/99/822340299.db2.gz VJNWZLRYXNOJLN-DLBZAZTESA-N 1 1 393.462 4.120 20 0 GIADMO Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccc(C(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000178186803 822346198 /nfs/dbraw/zinc/34/61/98/822346198.db2.gz QIMKKHWSDZIYFE-FGZHOGPDSA-N 1 1 392.547 4.106 20 0 GIADMO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000178219314 822354944 /nfs/dbraw/zinc/35/49/44/822354944.db2.gz CUPISTAYICZKSU-UHFFFAOYSA-N 1 1 377.941 4.313 20 0 GIADMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000182701067 822354918 /nfs/dbraw/zinc/35/49/18/822354918.db2.gz MHQFGLFZMRZGOU-DOTOQJQBSA-N 1 1 378.488 4.024 20 0 GIADMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000178238592 822357568 /nfs/dbraw/zinc/35/75/68/822357568.db2.gz JPOLKXOCCQMGCE-OAHLLOKOSA-N 1 1 382.435 4.208 20 0 GIADMO COCCC[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000182733513 822359451 /nfs/dbraw/zinc/35/94/51/822359451.db2.gz ZNQPHFISTSTKLV-AWEZNQCLSA-N 1 1 387.351 4.137 20 0 GIADMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000178258526 822360080 /nfs/dbraw/zinc/36/00/80/822360080.db2.gz UZDNLKUUWWUIJZ-IYBDPMFKSA-N 1 1 398.469 4.057 20 0 GIADMO Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]Cc1nnc3n1CCCCC3)CCC2 ZINC000178285261 822363330 /nfs/dbraw/zinc/36/33/30/822363330.db2.gz ODAGXYRJNANCDY-MRXNPFEDSA-N 1 1 397.523 4.434 20 0 GIADMO CC[N@H+](c1ccc(N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1)C(C)C ZINC000182773330 822365438 /nfs/dbraw/zinc/36/54/38/822365438.db2.gz HDFWTCAXAQWJTC-MRXNPFEDSA-N 1 1 375.538 4.003 20 0 GIADMO C[C@H](CNC(=O)N[C@@H](c1ccco1)c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000045154300 822366768 /nfs/dbraw/zinc/36/67/68/822366768.db2.gz CQBNDDYFBZIACL-IIBYNOLFSA-N 1 1 395.528 4.177 20 0 GIADMO C[C@H](CNC(=O)N[C@@H](c1ccco1)c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000045154300 822366771 /nfs/dbraw/zinc/36/67/71/822366771.db2.gz CQBNDDYFBZIACL-IIBYNOLFSA-N 1 1 395.528 4.177 20 0 GIADMO O=C(N[C@H](c1ccco1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000045155996 822367020 /nfs/dbraw/zinc/36/70/20/822367020.db2.gz SDGDUEQUFRVGCS-QHCPKHFHSA-N 1 1 389.499 4.287 20 0 GIADMO COC(=O)c1c(C[N@@H+](C)C[C@H]2CCOC2)nc2ccccc2c1-c1ccccc1 ZINC000178340422 822369045 /nfs/dbraw/zinc/36/90/45/822369045.db2.gz HGQLGDWHFWHGGZ-QGZVFWFLSA-N 1 1 390.483 4.157 20 0 GIADMO C[C@H]([NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1)C(C)(C)c1ccccc1 ZINC000182799905 822369682 /nfs/dbraw/zinc/36/96/82/822369682.db2.gz METZWOGQQXAYAY-HNNXBMFYSA-N 1 1 380.517 4.246 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045234084 822371845 /nfs/dbraw/zinc/37/18/45/822371845.db2.gz CKPXVZGYACBAGL-CRAIPNDOSA-N 1 1 379.545 4.316 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)n1 ZINC000182816438 822372305 /nfs/dbraw/zinc/37/23/05/822372305.db2.gz VCHFKIASMGZJBL-MRXNPFEDSA-N 1 1 376.382 4.394 20 0 GIADMO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)n1 ZINC000182816438 822372309 /nfs/dbraw/zinc/37/23/09/822372309.db2.gz VCHFKIASMGZJBL-MRXNPFEDSA-N 1 1 376.382 4.394 20 0 GIADMO C[C@@H](NC(=O)Nc1cccc(Cl)c1N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182834055 822375259 /nfs/dbraw/zinc/37/52/59/822375259.db2.gz RETAOGKMOVIBDF-CABCVRRESA-N 1 1 378.948 4.181 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182836062 822375346 /nfs/dbraw/zinc/37/53/46/822375346.db2.gz WDOVFNIGEWAHPY-HOTGVXAUSA-N 1 1 394.441 4.183 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182836062 822375351 /nfs/dbraw/zinc/37/53/51/822375351.db2.gz WDOVFNIGEWAHPY-HOTGVXAUSA-N 1 1 394.441 4.183 20 0 GIADMO O=C(Nc1ccc(SC(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178426399 822378060 /nfs/dbraw/zinc/37/80/60/822378060.db2.gz PURKQXGAAKARTI-DYVFJYSZSA-N 1 1 381.492 4.482 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1C ZINC000182857839 822379982 /nfs/dbraw/zinc/37/99/82/822379982.db2.gz OFUYZQRMVSYRCL-CVEARBPZSA-N 1 1 394.441 4.183 20 0 GIADMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1C ZINC000182857839 822379987 /nfs/dbraw/zinc/37/99/87/822379987.db2.gz OFUYZQRMVSYRCL-CVEARBPZSA-N 1 1 394.441 4.183 20 0 GIADMO CC(C)n1ncc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc21 ZINC000178449277 822380104 /nfs/dbraw/zinc/38/01/04/822380104.db2.gz QAEKPWOKTXAKPD-XLIONFOSSA-N 1 1 381.524 4.098 20 0 GIADMO CSCC[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)c1nnc2ccccn21 ZINC000178454911 822380649 /nfs/dbraw/zinc/38/06/49/822380649.db2.gz SPNVHLBMLJQYED-JKSUJKDBSA-N 1 1 388.537 4.489 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C)c1ccc2c(c1)OCCO2 ZINC000178479843 822383399 /nfs/dbraw/zinc/38/33/99/822383399.db2.gz RVSPPHYJSUFUQK-AUUYWEPGSA-N 1 1 396.466 4.288 20 0 GIADMO C[C@H](NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182875463 822383958 /nfs/dbraw/zinc/38/39/58/822383958.db2.gz NHJJBYRPIMDDJD-KSMMKXTCSA-N 1 1 399.362 4.186 20 0 GIADMO COc1ccc(Cl)cc1CN(C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182878576 822384531 /nfs/dbraw/zinc/38/45/31/822384531.db2.gz OJSWIDCCVYTEFH-CVEARBPZSA-N 1 1 393.959 4.143 20 0 GIADMO COC(=O)c1oc([C@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1C ZINC000182879457 822384772 /nfs/dbraw/zinc/38/47/72/822384772.db2.gz MJHVNSZGOQLPGL-KGLIPLIRSA-N 1 1 385.439 4.420 20 0 GIADMO COC(=O)c1oc([C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1C ZINC000182879440 822384786 /nfs/dbraw/zinc/38/47/86/822384786.db2.gz MJHVNSZGOQLPGL-ZIAGYGMSSA-N 1 1 385.439 4.420 20 0 GIADMO Cc1cc(Br)c(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)s1 ZINC000453572797 822386243 /nfs/dbraw/zinc/38/62/43/822386243.db2.gz OKGFGDGMJRFUDC-CYBMUJFWSA-N 1 1 387.730 4.179 20 0 GIADMO CCC[C@H]1CN(C(=O)Nc2ccccc2COC)CC[N@H+]1Cc1ccccc1 ZINC000182887489 822386383 /nfs/dbraw/zinc/38/63/83/822386383.db2.gz NFHSQEHLZSQYLW-NRFANRHFSA-N 1 1 381.520 4.351 20 0 GIADMO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2cnc(C3CCC3)s2)C[C@H]1C(F)(F)F ZINC000453581207 822387919 /nfs/dbraw/zinc/38/79/19/822387919.db2.gz VFSVLXXADWNMPQ-ZIAGYGMSSA-N 1 1 390.471 4.363 20 0 GIADMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)C[C@H]1C(F)(F)F ZINC000453581207 822387922 /nfs/dbraw/zinc/38/79/22/822387922.db2.gz VFSVLXXADWNMPQ-ZIAGYGMSSA-N 1 1 390.471 4.363 20 0 GIADMO C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182897958 822388449 /nfs/dbraw/zinc/38/84/49/822388449.db2.gz FDHYSOHQSYOVJK-LSDHHAIUSA-N 1 1 386.927 4.113 20 0 GIADMO C[C@H](NC(=O)CSc1nccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898166 822388510 /nfs/dbraw/zinc/38/85/10/822388510.db2.gz LJWYSYYHRBPZHS-WMZOPIPTSA-N 1 1 383.561 4.096 20 0 GIADMO C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)CCO2 ZINC000178534653 822388975 /nfs/dbraw/zinc/38/89/75/822388975.db2.gz QHKGHKARVMHHNI-MOPGFXCFSA-N 1 1 380.532 4.172 20 0 GIADMO COc1ccc(C[NH2+]Cc2sc(C)cc2Br)c(OC)c1OC ZINC000453589778 822389756 /nfs/dbraw/zinc/38/97/56/822389756.db2.gz NLZUPNZFBUPPRU-UHFFFAOYSA-N 1 1 386.311 4.135 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000178543902 822390122 /nfs/dbraw/zinc/39/01/22/822390122.db2.gz HMWVCSBAMAUEQY-LBPRGKRZSA-N 1 1 377.838 4.138 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)nc2Cl)c1 ZINC000178547355 822390505 /nfs/dbraw/zinc/39/05/05/822390505.db2.gz SVHIHRBTZZQZAJ-UHFFFAOYSA-N 1 1 385.817 4.136 20 0 GIADMO Cc1nc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)sc1C ZINC000178546791 822390522 /nfs/dbraw/zinc/39/05/22/822390522.db2.gz IEKIJAJTQXEHQE-RBUKOAKNSA-N 1 1 384.549 4.278 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182908664 822390693 /nfs/dbraw/zinc/39/06/93/822390693.db2.gz OLIADJXOOROEIC-KGLIPLIRSA-N 1 1 380.330 4.224 20 0 GIADMO CON1CCC([N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000453599925 822391305 /nfs/dbraw/zinc/39/13/05/822391305.db2.gz DFBJXBFYOITCPS-UHFFFAOYSA-N 1 1 396.560 4.118 20 0 GIADMO Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000182916057 822391986 /nfs/dbraw/zinc/39/19/86/822391986.db2.gz RRUQNRLJCTYXKJ-RTBURBONSA-N 1 1 395.551 4.264 20 0 GIADMO Brc1ccc(-c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000178592269 822394739 /nfs/dbraw/zinc/39/47/39/822394739.db2.gz KRSAEKMPPWLKKT-UHFFFAOYSA-N 1 1 392.293 4.091 20 0 GIADMO Brc1ccc(-c2ccc(C[N@H+]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000178592269 822394745 /nfs/dbraw/zinc/39/47/45/822394745.db2.gz KRSAEKMPPWLKKT-UHFFFAOYSA-N 1 1 392.293 4.091 20 0 GIADMO Cc1ccc2oc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2n1 ZINC000178599821 822395310 /nfs/dbraw/zinc/39/53/10/822395310.db2.gz FNQUXVYXSMHTKR-PZJWPPBQSA-N 1 1 389.499 4.263 20 0 GIADMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCSc3ccnc4cc(Cl)ccc43)[C@@H]2C1 ZINC000182933768 822395499 /nfs/dbraw/zinc/39/54/99/822395499.db2.gz CLYPJKFDPCUVAM-ATZDWAIDSA-N 1 1 392.952 4.249 20 0 GIADMO Cc1sc([C@H](C)NC(=O)c2csc(C[NH3+])n2)nc1-c1ccc(Cl)cc1 ZINC000178626601 822397375 /nfs/dbraw/zinc/39/73/75/822397375.db2.gz ZSDUFOVKPXHJIT-VIFPVBQESA-N 1 1 392.937 4.178 20 0 GIADMO CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182947929 822398038 /nfs/dbraw/zinc/39/80/38/822398038.db2.gz YTAFBRYEKFWJDN-DLBZAZTESA-N 1 1 386.540 4.056 20 0 GIADMO CC(C)OCCOCc1cccc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000182971206 822401926 /nfs/dbraw/zinc/40/19/26/822401926.db2.gz JVDOLIHONSQRCN-YKSBVNFPSA-N 1 1 397.563 4.346 20 0 GIADMO Cc1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000178692214 822403155 /nfs/dbraw/zinc/40/31/55/822403155.db2.gz QHFAVRNWQRINQC-UHFFFAOYSA-N 1 1 398.938 4.196 20 0 GIADMO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000178701964 822404048 /nfs/dbraw/zinc/40/40/48/822404048.db2.gz XMJPVPJAWLTJHF-LSDHHAIUSA-N 1 1 391.512 4.025 20 0 GIADMO CCOC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000178701964 822404050 /nfs/dbraw/zinc/40/40/50/822404050.db2.gz XMJPVPJAWLTJHF-LSDHHAIUSA-N 1 1 391.512 4.025 20 0 GIADMO O=C(Nc1c[nH]nc1-c1ccccc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000178703369 822404061 /nfs/dbraw/zinc/40/40/61/822404061.db2.gz GOPCWZJCZZJMRA-GOSISDBHSA-N 1 1 378.451 4.067 20 0 GIADMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178703787 822404300 /nfs/dbraw/zinc/40/43/00/822404300.db2.gz DGBSOMDKOAOXOU-VFNWGFHPSA-N 1 1 384.476 4.064 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000045692817 822405712 /nfs/dbraw/zinc/40/57/12/822405712.db2.gz KZJWUEFGHARYMY-KRWDZBQOSA-N 1 1 385.499 4.029 20 0 GIADMO CC(C)(CNC(=S)Nc1ccc(F)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000045711394 822407025 /nfs/dbraw/zinc/40/70/25/822407025.db2.gz RUCGZSPAHQHIJB-UHFFFAOYSA-N 1 1 375.488 4.088 20 0 GIADMO Cc1nc(C(=O)OC[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c(C)s1 ZINC000178747811 822407150 /nfs/dbraw/zinc/40/71/50/822407150.db2.gz ZOSQLUKAZGYKGC-CQSZACIVSA-N 1 1 380.460 4.107 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000178766603 822408308 /nfs/dbraw/zinc/40/83/08/822408308.db2.gz JFJKGKDVFVYYRH-UHFFFAOYSA-N 1 1 389.503 4.440 20 0 GIADMO Cc1csc(CCNc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)n1 ZINC000045726229 822408506 /nfs/dbraw/zinc/40/85/06/822408506.db2.gz HGUZRCMGNISSBM-UHFFFAOYSA-N 1 1 387.578 4.323 20 0 GIADMO C[N@H+](CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C[C@H]1CCOC1 ZINC000178778409 822409130 /nfs/dbraw/zinc/40/91/30/822409130.db2.gz WLQNCSVQMMREBM-OAHLLOKOSA-N 1 1 390.936 4.398 20 0 GIADMO COc1cc([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)ccc1SC ZINC000183005978 822409928 /nfs/dbraw/zinc/40/99/28/822409928.db2.gz WACAFTRYCOQBFL-DNVCBOLYSA-N 1 1 399.560 4.040 20 0 GIADMO COc1ccc2cc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc2c1 ZINC000178804262 822411984 /nfs/dbraw/zinc/41/19/84/822411984.db2.gz PRIVEXGWMREHRC-REWPJTCUSA-N 1 1 393.531 4.007 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc([S@@](C)=O)cc1 ZINC000178807873 822412354 /nfs/dbraw/zinc/41/23/54/822412354.db2.gz OBVKQYVSABRHQR-HHHXNRCGSA-N 1 1 380.513 4.038 20 0 GIADMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc([S@@](C)=O)cc1 ZINC000178807943 822412453 /nfs/dbraw/zinc/41/24/53/822412453.db2.gz XGFVUONMFQUGSY-RUZDIDTESA-N 1 1 399.343 4.191 20 0 GIADMO Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000045780205 822412760 /nfs/dbraw/zinc/41/27/60/822412760.db2.gz KSTFIRYMYUTZEL-RXVVDRJESA-N 1 1 396.535 4.404 20 0 GIADMO COCCN(Cc1ccco1)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000045780045 822412830 /nfs/dbraw/zinc/41/28/30/822412830.db2.gz JGWQVUNBDWCWMW-LJQANCHMSA-N 1 1 399.535 4.012 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCc2ccc(O)cc2C1 ZINC000045780803 822412970 /nfs/dbraw/zinc/41/29/70/822412970.db2.gz GSZKXOGXBZWTKF-SFHVURJKSA-N 1 1 393.531 4.035 20 0 GIADMO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1C[C@H](O)c1ccccc1)OCCO3 ZINC000045793853 822414366 /nfs/dbraw/zinc/41/43/66/822414366.db2.gz WWBKCCYMQXHUIZ-UTKZUKDTSA-N 1 1 379.500 4.380 20 0 GIADMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000178839438 822415388 /nfs/dbraw/zinc/41/53/88/822415388.db2.gz SINIEYGJIAUWEQ-IBGZPJMESA-N 1 1 394.515 4.346 20 0 GIADMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1ccc(OC)cc1C)c1ccccc1Cl ZINC000183050031 822417746 /nfs/dbraw/zinc/41/77/46/822417746.db2.gz JONMNRURCYMROK-FOIQADDNSA-N 1 1 395.952 4.159 20 0 GIADMO C[S@](=O)C[C@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 ZINC000183086943 822423169 /nfs/dbraw/zinc/42/31/69/822423169.db2.gz XUJHTODMUDIVNI-DWACAAAGSA-N 1 1 392.524 4.148 20 0 GIADMO CC(C)c1cnc(C[NH+]2CCC(OCCCNC(=O)OC(C)(C)C)CC2)s1 ZINC000183120879 822427376 /nfs/dbraw/zinc/42/73/76/822427376.db2.gz WJPOUQPWQGNMET-UHFFFAOYSA-N 1 1 397.585 4.162 20 0 GIADMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC3(C4CCC4)CCC3)c2C1 ZINC000454088282 822428045 /nfs/dbraw/zinc/42/80/45/822428045.db2.gz NKQDXJJYHMUOOV-QGZVFWFLSA-N 1 1 397.563 4.072 20 0 GIADMO c1c(C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)nnn1Cc1cccnc1 ZINC000183129083 822428248 /nfs/dbraw/zinc/42/82/48/822428248.db2.gz PGYRRYNHIROLQG-HSZRJFAPSA-N 1 1 375.520 4.099 20 0 GIADMO c1c(C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)nnn1Cc1cccnc1 ZINC000183129066 822428272 /nfs/dbraw/zinc/42/82/72/822428272.db2.gz PGYRRYNHIROLQG-QHCPKHFHSA-N 1 1 375.520 4.099 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nc([C@H](C)OCC(C)C)no2)cc1 ZINC000183148715 822431432 /nfs/dbraw/zinc/43/14/32/822431432.db2.gz VTRLZDUPKYGRDW-CVEARBPZSA-N 1 1 383.496 4.148 20 0 GIADMO Cc1cccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c1Cl ZINC000179039683 822432504 /nfs/dbraw/zinc/43/25/04/822432504.db2.gz ORUOIURSFPKNJB-UHFFFAOYSA-N 1 1 397.906 4.188 20 0 GIADMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000179085626 822436758 /nfs/dbraw/zinc/43/67/58/822436758.db2.gz FTIKTIJCIFIKLW-WBMJQRKESA-N 1 1 381.339 4.308 20 0 GIADMO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000179090344 822437053 /nfs/dbraw/zinc/43/70/53/822437053.db2.gz GTWYQZCWFRZOSK-FDDCHVKYSA-N 1 1 391.515 4.492 20 0 GIADMO COc1cc([C@@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185277 822437479 /nfs/dbraw/zinc/43/74/79/822437479.db2.gz HKWCPJNUYKKQCL-GVDBMIGSSA-N 1 1 376.541 4.016 20 0 GIADMO COc1cc([C@@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185277 822437481 /nfs/dbraw/zinc/43/74/81/822437481.db2.gz HKWCPJNUYKKQCL-GVDBMIGSSA-N 1 1 376.541 4.016 20 0 GIADMO O=C(O[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cnc(-c2ccccn2)s1 ZINC000183188839 822438167 /nfs/dbraw/zinc/43/81/67/822438167.db2.gz CHMOGEIGLWMYLD-QGZVFWFLSA-N 1 1 379.485 4.027 20 0 GIADMO O=C(O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnc(-c2ccccn2)s1 ZINC000183188839 822438168 /nfs/dbraw/zinc/43/81/68/822438168.db2.gz CHMOGEIGLWMYLD-QGZVFWFLSA-N 1 1 379.485 4.027 20 0 GIADMO COc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)cc1OC1CCCC1 ZINC000183193459 822439154 /nfs/dbraw/zinc/43/91/54/822439154.db2.gz OPOIXQMTLPFTTI-UHFFFAOYSA-N 1 1 392.459 4.158 20 0 GIADMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179121743 822440547 /nfs/dbraw/zinc/44/05/47/822440547.db2.gz WEQGBJUAIYSVAS-HZPDHXFCSA-N 1 1 390.934 4.428 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CCC[C@@]2(CCOC2)C1)C1CCCCC1 ZINC000454226719 822440886 /nfs/dbraw/zinc/44/08/86/822440886.db2.gz KXCBCKPKKPDUCF-HSZRJFAPSA-N 1 1 385.552 4.486 20 0 GIADMO Cc1cc(OC[C@H](O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(C(C)C)cc1Cl ZINC000046092554 822440895 /nfs/dbraw/zinc/44/08/95/822440895.db2.gz QNTKVBPKBYXSKS-FUHWJXTLSA-N 1 1 381.944 4.012 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183204017 822441012 /nfs/dbraw/zinc/44/10/12/822441012.db2.gz JRSJYXQMWUSREF-ZDUSSCGKSA-N 1 1 391.397 4.350 20 0 GIADMO FC(F)Oc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000046103169 822441116 /nfs/dbraw/zinc/44/11/16/822441116.db2.gz OEVUBJPVIQUMDG-UHFFFAOYSA-N 1 1 391.487 4.023 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H](O)CC(C)(C)C1)C1CCCCC1 ZINC000454229668 822441300 /nfs/dbraw/zinc/44/13/00/822441300.db2.gz QCPIOBLBKGJSOY-FQEVSTJZSA-N 1 1 387.568 4.466 20 0 GIADMO CCCOc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OCCC ZINC000454233974 822441661 /nfs/dbraw/zinc/44/16/61/822441661.db2.gz CJYULJNQASZFSX-JOCHJYFZSA-N 1 1 389.540 4.214 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)C1 ZINC000183211081 822442415 /nfs/dbraw/zinc/44/24/15/822442415.db2.gz CSISIGUREOUJFL-ZDUSSCGKSA-N 1 1 396.318 4.371 20 0 GIADMO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000046143730 822443935 /nfs/dbraw/zinc/44/39/35/822443935.db2.gz YTBMZTNTBHOHPV-GOSISDBHSA-N 1 1 397.450 4.339 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)c3cccc(F)c3)CC[N@H+]2C2CC2)c1 ZINC000183231517 822444893 /nfs/dbraw/zinc/44/48/93/822444893.db2.gz NQYHXLOYYLBFDY-UJUVCNOISA-N 1 1 382.479 4.032 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@H]3c3sccc3C)CC[N@H+]2C2CC2)c1 ZINC000183241453 822446925 /nfs/dbraw/zinc/44/69/25/822446925.db2.gz AMWCMXLLSWBVPL-XRXFAXGQSA-N 1 1 396.556 4.263 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)CCCc3cccs3)CC[N@H+]2C2CC2)c1 ZINC000183249358 822448398 /nfs/dbraw/zinc/44/83/98/822448398.db2.gz GCYBHAVJRFZKON-IFMALSPDSA-N 1 1 384.545 4.174 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(Br)c1Cl ZINC000183273994 822451982 /nfs/dbraw/zinc/45/19/82/822451982.db2.gz FIMSHTZYERTAHS-CYBMUJFWSA-N 1 1 387.749 4.487 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ncc(Br)s1 ZINC000179214134 822452400 /nfs/dbraw/zinc/45/24/00/822452400.db2.gz QCVJEGFXVNYJOY-GHMZBOCLSA-N 1 1 396.310 4.274 20 0 GIADMO C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ncc(Br)s1 ZINC000179228406 822453973 /nfs/dbraw/zinc/45/39/73/822453973.db2.gz FWPPSYFNODZFJS-XHDPSFHLSA-N 1 1 377.307 4.443 20 0 GIADMO C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000046281771 822457690 /nfs/dbraw/zinc/45/76/90/822457690.db2.gz XSNGIJFQPSJYQC-MRXNPFEDSA-N 1 1 394.544 4.057 20 0 GIADMO CCn1ccnc1[C@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000454356297 822461220 /nfs/dbraw/zinc/46/12/20/822461220.db2.gz BFMOLEYSFZWEHO-SFHVURJKSA-N 1 1 397.567 4.228 20 0 GIADMO O=C(C1CCC(F)(F)CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000179293114 822461958 /nfs/dbraw/zinc/46/19/58/822461958.db2.gz GEQQJQIHWVYCAD-PMACEKPBSA-N 1 1 376.491 4.325 20 0 GIADMO Cc1ccnc(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000454365194 822462644 /nfs/dbraw/zinc/46/26/44/822462644.db2.gz NIZMFGDQHIPIAV-UHFFFAOYSA-N 1 1 380.536 4.154 20 0 GIADMO Cc1cccc(OCCCC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046341487 822463226 /nfs/dbraw/zinc/46/32/26/822463226.db2.gz ZPTSEUHBLLAQQL-BGYRXZFFSA-N 1 1 396.531 4.402 20 0 GIADMO Cc1cccc(OCCCC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046341487 822463228 /nfs/dbraw/zinc/46/32/28/822463228.db2.gz ZPTSEUHBLLAQQL-BGYRXZFFSA-N 1 1 396.531 4.402 20 0 GIADMO C[C@H](C[C@H](O)c1ccco1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000179324285 822466098 /nfs/dbraw/zinc/46/60/98/822466098.db2.gz BLSSKKNWAAIUTH-GCJKJVERSA-N 1 1 392.499 4.154 20 0 GIADMO Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cccc1-c1ccccn1 ZINC000179325811 822466302 /nfs/dbraw/zinc/46/63/02/822466302.db2.gz CXNVHJQUGVDNAN-MRXNPFEDSA-N 1 1 391.540 4.295 20 0 GIADMO Cc1c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cccc1-c1ccccn1 ZINC000179325811 822466303 /nfs/dbraw/zinc/46/63/03/822466303.db2.gz CXNVHJQUGVDNAN-MRXNPFEDSA-N 1 1 391.540 4.295 20 0 GIADMO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000179330133 822467187 /nfs/dbraw/zinc/46/71/87/822467187.db2.gz YWNVXDULSAHXBQ-UHFFFAOYSA-N 1 1 387.749 4.231 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CC1 ZINC000046403817 822470339 /nfs/dbraw/zinc/47/03/39/822470339.db2.gz LHFVUXXMCGNMCM-UHFFFAOYSA-N 1 1 377.410 4.100 20 0 GIADMO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)C2)C1 ZINC000454408230 822470604 /nfs/dbraw/zinc/47/06/04/822470604.db2.gz WCJOTUJURZUHNT-QHCPKHFHSA-N 1 1 397.494 4.354 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCCSc4ccccc43)cc2)C[C@H](C)O1 ZINC000046432507 822472673 /nfs/dbraw/zinc/47/26/73/822472673.db2.gz ZSBUFHODUUNBDI-ROUUACIJSA-N 1 1 396.556 4.438 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(COc4cccc(F)c4)c3)C2)C1 ZINC000454428116 822474175 /nfs/dbraw/zinc/47/41/75/822474175.db2.gz PKOMKVHJRUEQRV-HSZRJFAPSA-N 1 1 397.494 4.354 20 0 GIADMO CCOc1cc(C[N@H+](C)Cc2cnc(C)s2)cc(Br)c1OC ZINC000179382565 822474454 /nfs/dbraw/zinc/47/44/54/822474454.db2.gz XLBSONLJNORZBD-UHFFFAOYSA-N 1 1 385.327 4.253 20 0 GIADMO CCOc1cc(C[N@@H+](C)Cc2cnc(C)s2)cc(Br)c1OC ZINC000179382565 822474458 /nfs/dbraw/zinc/47/44/58/822474458.db2.gz XLBSONLJNORZBD-UHFFFAOYSA-N 1 1 385.327 4.253 20 0 GIADMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2Cl)cc1OC ZINC000183436572 822474756 /nfs/dbraw/zinc/47/47/56/822474756.db2.gz KHHNUCRQLRVNIE-GFCCVEGCSA-N 1 1 380.847 4.094 20 0 GIADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)C1 ZINC000183448814 822476628 /nfs/dbraw/zinc/47/66/28/822476628.db2.gz MWYWWTWWZZDVHV-NZSAHSFTSA-N 1 1 395.469 4.282 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179399764 822477355 /nfs/dbraw/zinc/47/73/55/822477355.db2.gz WWVXENPROPHWKH-LSDHHAIUSA-N 1 1 399.560 4.091 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000179418485 822479709 /nfs/dbraw/zinc/47/97/09/822479709.db2.gz NSUWRJOKJQEEKJ-UHFFFAOYSA-N 1 1 386.499 4.134 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000179418485 822479710 /nfs/dbraw/zinc/47/97/10/822479710.db2.gz NSUWRJOKJQEEKJ-UHFFFAOYSA-N 1 1 386.499 4.134 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526629 822481066 /nfs/dbraw/zinc/48/10/66/822481066.db2.gz PWDSKOXJCCNSFO-SFHVURJKSA-N 1 1 376.504 4.008 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526629 822481069 /nfs/dbraw/zinc/48/10/69/822481069.db2.gz PWDSKOXJCCNSFO-SFHVURJKSA-N 1 1 376.504 4.008 20 0 GIADMO O=C(NC[C@H]1CCCCC1(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000454476291 822481153 /nfs/dbraw/zinc/48/11/53/822481153.db2.gz BDLSQPWZZJYZQR-XUBOLADHSA-N 1 1 391.506 4.307 20 0 GIADMO C[C@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183486721 822483966 /nfs/dbraw/zinc/48/39/66/822483966.db2.gz WYVABGMJPVOZNZ-GJZGRUSLSA-N 1 1 378.948 4.181 20 0 GIADMO CC[C@@H](NC(=O)C[NH2+][C@H](c1nc(C)cs1)C1CC1)c1ccc(Cl)cc1 ZINC000183488884 822484349 /nfs/dbraw/zinc/48/43/49/822484349.db2.gz QGPGVFMYLNMIKG-AEFFLSMTSA-N 1 1 377.941 4.413 20 0 GIADMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000179454788 822485353 /nfs/dbraw/zinc/48/53/53/822485353.db2.gz BFTOJLVZRDEASD-CQSZACIVSA-N 1 1 397.466 4.129 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(Br)cc2F)[C@@H]1c1ccccc1 ZINC000179473479 822487651 /nfs/dbraw/zinc/48/76/51/822487651.db2.gz PXISXCWUKBLNHI-IRXDYDNUSA-N 1 1 392.272 4.155 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H]1c1ccccc1 ZINC000179478951 822488534 /nfs/dbraw/zinc/48/85/34/822488534.db2.gz IMWSUJVYGAXJSR-XLIONFOSSA-N 1 1 376.460 4.272 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(F)ccc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183520292 822489230 /nfs/dbraw/zinc/48/92/30/822489230.db2.gz CUSKHFHWSBGFQA-CHWSQXEVSA-N 1 1 385.430 4.202 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3cccc4cccnc43)cc2)C1 ZINC000046596483 822489711 /nfs/dbraw/zinc/48/97/11/822489711.db2.gz HJPPEUXTGOCVNR-LJQANCHMSA-N 1 1 387.527 4.326 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(C)c1 ZINC000179501207 822492324 /nfs/dbraw/zinc/49/23/24/822492324.db2.gz LOPSEIQWDOKERN-LJQANCHMSA-N 1 1 395.551 4.206 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(C)c1 ZINC000179501207 822492325 /nfs/dbraw/zinc/49/23/25/822492325.db2.gz LOPSEIQWDOKERN-LJQANCHMSA-N 1 1 395.551 4.206 20 0 GIADMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(C)c1 ZINC000179501207 822492326 /nfs/dbraw/zinc/49/23/26/822492326.db2.gz LOPSEIQWDOKERN-LJQANCHMSA-N 1 1 395.551 4.206 20 0 GIADMO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ncc(Br)s1 ZINC000179503178 822492497 /nfs/dbraw/zinc/49/24/97/822492497.db2.gz BBPNLEWSOZDSPS-WRWORJQWSA-N 1 1 379.682 4.082 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)C2CC2)n1 ZINC000183544285 822492671 /nfs/dbraw/zinc/49/26/71/822492671.db2.gz WROXKAWJGVDQRI-DLBZAZTESA-N 1 1 377.579 4.457 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Br)C2CC2)n1 ZINC000183548771 822493347 /nfs/dbraw/zinc/49/33/47/822493347.db2.gz WOJQCKXZMFTNST-XHDPSFHLSA-N 1 1 394.338 4.282 20 0 GIADMO C[NH+](C)CCOc1cc(CN[C@@H]2CCSc3ccc(Cl)cc32)ccn1 ZINC000179511216 822493642 /nfs/dbraw/zinc/49/36/42/822493642.db2.gz ZWWKRUWICFEFPN-QGZVFWFLSA-N 1 1 377.941 4.002 20 0 GIADMO C[C@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1nccs1 ZINC000183552810 822493960 /nfs/dbraw/zinc/49/39/60/822493960.db2.gz SVSPPJFDQQVEPJ-QGZVFWFLSA-N 1 1 379.529 4.309 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccnc1C(F)(F)F ZINC000179516500 822494786 /nfs/dbraw/zinc/49/47/86/822494786.db2.gz PBBKUOQPLNWJOF-KRWDZBQOSA-N 1 1 391.437 4.085 20 0 GIADMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000183563928 822495260 /nfs/dbraw/zinc/49/52/60/822495260.db2.gz UBELBLVUKUVYDA-GFCCVEGCSA-N 1 1 379.485 4.379 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179517498 822495307 /nfs/dbraw/zinc/49/53/07/822495307.db2.gz BDGXMXWIHZHIKE-AEFFLSMTSA-N 1 1 395.551 4.321 20 0 GIADMO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179517498 822495310 /nfs/dbraw/zinc/49/53/10/822495310.db2.gz BDGXMXWIHZHIKE-AEFFLSMTSA-N 1 1 395.551 4.321 20 0 GIADMO CSCCCCCCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000183564765 822495327 /nfs/dbraw/zinc/49/53/27/822495327.db2.gz XYNXCECZGOHAMH-UHFFFAOYSA-N 1 1 381.611 4.280 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(-n4cccn4)c3)n2)cc1 ZINC000183569240 822495914 /nfs/dbraw/zinc/49/59/14/822495914.db2.gz SJVSOGZLEDVSGO-MRXNPFEDSA-N 1 1 389.459 4.172 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000179522867 822496505 /nfs/dbraw/zinc/49/65/05/822496505.db2.gz HNHAFPVRRKMFKR-UHFFFAOYSA-N 1 1 391.515 4.029 20 0 GIADMO Cc1cccc([C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c2ccccn2)c1 ZINC000179536153 822499290 /nfs/dbraw/zinc/49/92/90/822499290.db2.gz ZVQIBMOKQPTBPZ-HSZRJFAPSA-N 1 1 392.547 4.139 20 0 GIADMO C[C@H]([NH2+][C@@H](c1cccc(F)c1)c1ccccn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179553684 822502429 /nfs/dbraw/zinc/50/24/29/822502429.db2.gz VJFALNFUGWMIBQ-BTYIYWSLSA-N 1 1 399.491 4.032 20 0 GIADMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2F)cc1 ZINC000179557578 822503321 /nfs/dbraw/zinc/50/33/21/822503321.db2.gz RWYFOIZWKSMTDD-CABCVRRESA-N 1 1 396.503 4.407 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CSc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000454603214 822504316 /nfs/dbraw/zinc/50/43/16/822504316.db2.gz RLOZVSHLFIADDC-HOJAQTOUSA-N 1 1 395.572 4.228 20 0 GIADMO COCCn1ccc2ccc(NC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc21 ZINC000183651997 822506267 /nfs/dbraw/zinc/50/62/67/822506267.db2.gz YOOOQRGWMRNZBO-HKUYNNGSSA-N 1 1 398.551 4.062 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1csc(Cc2ccccc2)n1 ZINC000046691752 822506294 /nfs/dbraw/zinc/50/62/94/822506294.db2.gz LGMSVJSAUUHTQA-LJQANCHMSA-N 1 1 395.528 4.284 20 0 GIADMO COc1ccc(Cl)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000454619396 822507602 /nfs/dbraw/zinc/50/76/02/822507602.db2.gz SPSSPWXSNUMQDT-INIZCTEOSA-N 1 1 387.911 4.334 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1cccc2cccnc21 ZINC000046715565 822508884 /nfs/dbraw/zinc/50/88/84/822508884.db2.gz ZBVZVVOQYNJTSU-IBGZPJMESA-N 1 1 387.527 4.468 20 0 GIADMO CCC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@H](C)c1cc2ccccc2o1 ZINC000179598414 822510106 /nfs/dbraw/zinc/51/01/06/822510106.db2.gz JQPZWBQWLJPUBX-GOSISDBHSA-N 1 1 396.535 4.285 20 0 GIADMO CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2coc(-c3ccccc3)n2)cc1 ZINC000183683831 822510934 /nfs/dbraw/zinc/51/09/34/822510934.db2.gz IKFJOEGQVYCEOJ-HSZRJFAPSA-N 1 1 391.515 4.067 20 0 GIADMO Cc1nn(-c2ccccc2)cc1NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000183689167 822511828 /nfs/dbraw/zinc/51/18/28/822511828.db2.gz VZJUEGMTRSXPEH-HDICACEKSA-N 1 1 383.540 4.060 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000046751113 822512885 /nfs/dbraw/zinc/51/28/85/822512885.db2.gz UHHJFFQBXIPQDA-MOPGFXCFSA-N 1 1 398.551 4.371 20 0 GIADMO COc1ccc(C[N@H+](C)Cc2ccccc2OCc2ccccn2)c(OC)c1 ZINC000179617297 822513801 /nfs/dbraw/zinc/51/38/01/822513801.db2.gz AMUZYJYBOFTCRL-UHFFFAOYSA-N 1 1 378.472 4.310 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2ccccc2OCc2ccccn2)c(OC)c1 ZINC000179617297 822513802 /nfs/dbraw/zinc/51/38/02/822513802.db2.gz AMUZYJYBOFTCRL-UHFFFAOYSA-N 1 1 378.472 4.310 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)c1ccc(F)cc1F ZINC000179623865 822514771 /nfs/dbraw/zinc/51/47/71/822514771.db2.gz XFGWXDAOGVVZAO-OAHLLOKOSA-N 1 1 398.837 4.315 20 0 GIADMO CC(C)[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@@H]1C(C)C ZINC000454671891 822515237 /nfs/dbraw/zinc/51/52/37/822515237.db2.gz ZTSDLHGZDASAEH-AZUAARDMSA-N 1 1 375.582 4.380 20 0 GIADMO COc1cc(-c2noc(C[NH2+][C@H](C)c3cccc(C)c3C)n2)cc(OC)c1OC ZINC000183711494 822515342 /nfs/dbraw/zinc/51/53/42/822515342.db2.gz MOYBXSNUIXSJLA-OAHLLOKOSA-N 1 1 397.475 4.230 20 0 GIADMO CCOC(=O)c1sc2nc(C[NH2+][C@H](C)c3cccc(C)c3C)nc(N)c2c1C ZINC000183735776 822519155 /nfs/dbraw/zinc/51/91/55/822519155.db2.gz KRMODXCSJPPUMS-CQSZACIVSA-N 1 1 398.532 4.226 20 0 GIADMO O=C(C[NH2+]C1(c2ccccc2F)CC1)Nc1c(F)cc(F)cc1Br ZINC000179654220 822521024 /nfs/dbraw/zinc/52/10/24/822521024.db2.gz QGJOTDDLZDIPRG-UHFFFAOYSA-N 1 1 399.210 4.084 20 0 GIADMO C[C@H](C1CC1)N(C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000179654862 822521247 /nfs/dbraw/zinc/52/12/47/822521247.db2.gz XCVYEUWGPSFXPI-JOTOCRJQSA-N 1 1 393.934 4.444 20 0 GIADMO CC[C@H]1CN(Cc2nnc(Cc3ccccc3C)o2)CC[N@H+]1Cc1ccccc1 ZINC000183748447 822521765 /nfs/dbraw/zinc/52/17/65/822521765.db2.gz UDZYESDRCWSEOC-QFIPXVFZSA-N 1 1 390.531 4.065 20 0 GIADMO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000046838446 822522812 /nfs/dbraw/zinc/52/28/12/822522812.db2.gz ZUQYQTKJACMGCU-RBUKOAKNSA-N 1 1 396.531 4.153 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)c1 ZINC000183757706 822523187 /nfs/dbraw/zinc/52/31/87/822523187.db2.gz DDAYRTJKJTUCQL-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)cc1 ZINC000183761948 822524080 /nfs/dbraw/zinc/52/40/80/822524080.db2.gz WEJIREVONIGIAT-LLVKDONJSA-N 1 1 380.275 4.241 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000179674264 822524577 /nfs/dbraw/zinc/52/45/77/822524577.db2.gz CRZLATCSFBLTRI-JQWIXIFHSA-N 1 1 393.247 4.023 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H](C)CC(C)(C)C3)CC2)oc1C ZINC000183769353 822525707 /nfs/dbraw/zinc/52/57/07/822525707.db2.gz YUDQHDFWNATKKV-HNAYVOBHSA-N 1 1 375.557 4.082 20 0 GIADMO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(F)cc1Cl ZINC000183776243 822526716 /nfs/dbraw/zinc/52/67/16/822526716.db2.gz WYGSMQYVOLNSRP-CQSZACIVSA-N 1 1 375.875 4.369 20 0 GIADMO Cc1cc([C@H](C)[NH2+]CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c(C)o1 ZINC000183791646 822528441 /nfs/dbraw/zinc/52/84/41/822528441.db2.gz XDDFDEXKNAJLEH-KSSFIOAISA-N 1 1 381.432 4.111 20 0 GIADMO C[C@@H](CNC(=O)N[C@H]1CCSc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000046908410 822529090 /nfs/dbraw/zinc/52/90/90/822529090.db2.gz PSJMORVBKLZWEM-YOEHRIQHSA-N 1 1 387.574 4.031 20 0 GIADMO C[C@@H](CNC(=O)N[C@H]1CCSc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000046908410 822529094 /nfs/dbraw/zinc/52/90/94/822529094.db2.gz PSJMORVBKLZWEM-YOEHRIQHSA-N 1 1 387.574 4.031 20 0 GIADMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000179702777 822530912 /nfs/dbraw/zinc/53/09/12/822530912.db2.gz QAYIBJBAEDAYEM-KSSFIOAISA-N 1 1 395.425 4.241 20 0 GIADMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000179702777 822530914 /nfs/dbraw/zinc/53/09/14/822530914.db2.gz QAYIBJBAEDAYEM-KSSFIOAISA-N 1 1 395.425 4.241 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCC(C)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000454776993 822531925 /nfs/dbraw/zinc/53/19/25/822531925.db2.gz UGTIJKJXOHVNKG-IRXDYDNUSA-N 1 1 389.437 4.223 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)NCCCC(C)(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000454776993 822531929 /nfs/dbraw/zinc/53/19/29/822531929.db2.gz UGTIJKJXOHVNKG-IRXDYDNUSA-N 1 1 389.437 4.223 20 0 GIADMO COc1ccccc1-c1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000454784000 822533391 /nfs/dbraw/zinc/53/33/91/822533391.db2.gz UZPZZHMVTDWKBO-HSZRJFAPSA-N 1 1 379.504 4.312 20 0 GIADMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)C1 ZINC000046956646 822534130 /nfs/dbraw/zinc/53/41/30/822534130.db2.gz CBYDDSKRBQJTFT-QGZVFWFLSA-N 1 1 395.507 4.102 20 0 GIADMO COc1ccc(-c2nc(C[NH2+][C@@H](CCCO)c3ccccc3)cs2)c(OC)c1 ZINC000179727049 822536175 /nfs/dbraw/zinc/53/61/75/822536175.db2.gz OILJBWWSADXBHP-FQEVSTJZSA-N 1 1 398.528 4.431 20 0 GIADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000046997868 822536730 /nfs/dbraw/zinc/53/67/30/822536730.db2.gz UUYNNJOGJRNPKP-LEWJYISDSA-N 1 1 387.483 4.365 20 0 GIADMO Clc1cccc(-c2nnc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)o2)c1 ZINC000179733412 822537968 /nfs/dbraw/zinc/53/79/68/822537968.db2.gz DEIZBTYDHSISFX-FQEVSTJZSA-N 1 1 397.862 4.402 20 0 GIADMO Fc1ccccc1-c1cnc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000179736792 822539000 /nfs/dbraw/zinc/53/90/00/822539000.db2.gz ZFLSLEAROJTFPJ-JOCHJYFZSA-N 1 1 380.419 4.493 20 0 GIADMO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(-c2cccs2)no1 ZINC000179738404 822539670 /nfs/dbraw/zinc/53/96/70/822539670.db2.gz IQSGZFGGPVPONK-KPZWWZAWSA-N 1 1 383.473 4.371 20 0 GIADMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000179742657 822540868 /nfs/dbraw/zinc/54/08/68/822540868.db2.gz XZDUSZMOEBSOFT-CYBMUJFWSA-N 1 1 390.858 4.288 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454825136 822541324 /nfs/dbraw/zinc/54/13/24/822541324.db2.gz ZYKDMGMUUAVOBE-HOTGVXAUSA-N 1 1 391.865 4.347 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)NCCC(C)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454825136 822541326 /nfs/dbraw/zinc/54/13/26/822541326.db2.gz ZYKDMGMUUAVOBE-HOTGVXAUSA-N 1 1 391.865 4.347 20 0 GIADMO O=C(C1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1)N1CCCCCC1 ZINC000179753482 822543293 /nfs/dbraw/zinc/54/32/93/822543293.db2.gz XRIVAXGSYMFHCC-UHFFFAOYSA-N 1 1 386.433 4.459 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000179753839 822543322 /nfs/dbraw/zinc/54/33/22/822543322.db2.gz GYENKKMIGNJWQD-KRWDZBQOSA-N 1 1 393.487 4.487 20 0 GIADMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cc(Cl)ccc3SCC(F)(F)F)C[C@@H]21 ZINC000454849478 822545557 /nfs/dbraw/zinc/54/55/57/822545557.db2.gz DPVQDGDWBAWTDN-MFKMUULPSA-N 1 1 393.862 4.162 20 0 GIADMO CCN(CC)C(=O)[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1 ZINC000179762314 822546091 /nfs/dbraw/zinc/54/60/91/822546091.db2.gz LULJMMDZAYPYRR-XZOQPEGZSA-N 1 1 394.515 4.108 20 0 GIADMO C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000047127567 822546450 /nfs/dbraw/zinc/54/64/50/822546450.db2.gz SOWUWULVNPKITG-AQNXPRMDSA-N 1 1 395.547 4.198 20 0 GIADMO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(-c2ccccc2)no1 ZINC000179767288 822548008 /nfs/dbraw/zinc/54/80/08/822548008.db2.gz YYHZPISCZXTKOL-VBKZILBWSA-N 1 1 377.444 4.310 20 0 GIADMO C[N@@H+](Cc1c(C2CC2)nc2sccn12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179766677 822548043 /nfs/dbraw/zinc/54/80/43/822548043.db2.gz RPFZYWGXEPMDDB-UHFFFAOYSA-N 1 1 390.553 4.105 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000179767535 822548208 /nfs/dbraw/zinc/54/82/08/822548208.db2.gz OEMSBGMRJNQEFC-CYBMUJFWSA-N 1 1 387.434 4.143 20 0 GIADMO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179767535 822548209 /nfs/dbraw/zinc/54/82/09/822548209.db2.gz OEMSBGMRJNQEFC-CYBMUJFWSA-N 1 1 387.434 4.143 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179767535 822548211 /nfs/dbraw/zinc/54/82/11/822548211.db2.gz OEMSBGMRJNQEFC-CYBMUJFWSA-N 1 1 387.434 4.143 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1nccs1 ZINC000183934714 822549890 /nfs/dbraw/zinc/54/98/90/822549890.db2.gz XDSJYSYHPQDAJO-LBPRGKRZSA-N 1 1 386.348 4.144 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)c1nccs1 ZINC000183934714 822549891 /nfs/dbraw/zinc/54/98/91/822549891.db2.gz XDSJYSYHPQDAJO-LBPRGKRZSA-N 1 1 386.348 4.144 20 0 GIADMO C[C@@H](C[N@@H+](C)CCCCCCN1C(=O)c2ccccc2C1=O)c1nccs1 ZINC000183946460 822551816 /nfs/dbraw/zinc/55/18/16/822551816.db2.gz XJBMDHSHAFORCE-INIZCTEOSA-N 1 1 385.533 4.035 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183946705 822552002 /nfs/dbraw/zinc/55/20/02/822552002.db2.gz CATIBUBRTINZDG-OAHLLOKOSA-N 1 1 397.548 4.010 20 0 GIADMO C[C@@H]1CN(c2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000179783386 822552149 /nfs/dbraw/zinc/55/21/49/822552149.db2.gz MFZMFLGOMCHWIJ-JOCBIADPSA-N 1 1 397.485 4.358 20 0 GIADMO COC1CCN(c2ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2C(F)(F)F)CC1 ZINC000179782859 822552160 /nfs/dbraw/zinc/55/21/60/822552160.db2.gz UDHYIZQBHYRXOO-HOCLYGCPSA-N 1 1 385.474 4.215 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000047187875 822552501 /nfs/dbraw/zinc/55/25/01/822552501.db2.gz VYBWFSWOAALGJP-QGZVFWFLSA-N 1 1 399.560 4.242 20 0 GIADMO C[C@@H](C[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nccs1 ZINC000183951491 822552768 /nfs/dbraw/zinc/55/27/68/822552768.db2.gz OBHVGCYQDNGMJF-JTQLQIEISA-N 1 1 391.846 4.489 20 0 GIADMO C[C@@H](C[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nccs1 ZINC000183951491 822552772 /nfs/dbraw/zinc/55/27/72/822552772.db2.gz OBHVGCYQDNGMJF-JTQLQIEISA-N 1 1 391.846 4.489 20 0 GIADMO CCC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000047209927 822554560 /nfs/dbraw/zinc/55/45/60/822554560.db2.gz HOLVFNZXQQPHNS-LJQANCHMSA-N 1 1 385.552 4.038 20 0 GIADMO CC[C@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1cc(F)ccc1F ZINC000179801483 822555603 /nfs/dbraw/zinc/55/56/03/822555603.db2.gz UWWVRTGXEPLSTD-INIZCTEOSA-N 1 1 390.352 4.190 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(Cc1ccco1)CC(F)(F)F)c1cc(F)ccc1F ZINC000179801494 822555621 /nfs/dbraw/zinc/55/56/21/822555621.db2.gz UWWVRTGXEPLSTD-MRXNPFEDSA-N 1 1 390.352 4.190 20 0 GIADMO C[N@@H+](CCCCNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1)C1CC1 ZINC000454915067 822555962 /nfs/dbraw/zinc/55/59/62/822555962.db2.gz OVUGIXJREVBHKM-UHFFFAOYSA-N 1 1 386.540 4.201 20 0 GIADMO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)c1nc(-c2nc[nH]n2)no1 ZINC000179803861 822556239 /nfs/dbraw/zinc/55/62/39/822556239.db2.gz JQZLYGJDQVGHRM-SMDDNHRTSA-N 1 1 394.401 4.312 20 0 GIADMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000179810872 822557541 /nfs/dbraw/zinc/55/75/41/822557541.db2.gz CYEAHIDTBODLMF-UHFFFAOYSA-N 1 1 393.350 4.232 20 0 GIADMO COCCOc1cc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1OC ZINC000179811145 822557706 /nfs/dbraw/zinc/55/77/06/822557706.db2.gz PPTYRZPZFJUMTG-INIZCTEOSA-N 1 1 381.476 4.388 20 0 GIADMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000179814933 822558485 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GIADMO Brc1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc2c1OCCO2 ZINC000179828075 822561082 /nfs/dbraw/zinc/56/10/82/822561082.db2.gz PFPRDGQWIMQMNL-ZDUSSCGKSA-N 1 1 395.322 4.056 20 0 GIADMO Brc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc2c1OCCO2 ZINC000179828060 822561153 /nfs/dbraw/zinc/56/11/53/822561153.db2.gz PFPRDGQWIMQMNL-CYBMUJFWSA-N 1 1 395.322 4.056 20 0 GIADMO Brc1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc2c1OCCO2 ZINC000179828060 822561154 /nfs/dbraw/zinc/56/11/54/822561154.db2.gz PFPRDGQWIMQMNL-CYBMUJFWSA-N 1 1 395.322 4.056 20 0 GIADMO Cc1cc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2C)cc(N2CCCC2)[nH+]1 ZINC000454968196 822564534 /nfs/dbraw/zinc/56/45/34/822564534.db2.gz FKLUFAHCSQWIFK-NRFANRHFSA-N 1 1 396.510 4.484 20 0 GIADMO O=C(NCCC1CC(F)(F)C1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000454976813 822565311 /nfs/dbraw/zinc/56/53/11/822565311.db2.gz GCTBBAPWHVLYLM-LJQANCHMSA-N 1 1 379.495 4.023 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCc2ccc3[nH]ccc3c2)C[C@H](C)O1 ZINC000179847842 822565555 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GIADMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000179888383 822572106 /nfs/dbraw/zinc/57/21/06/822572106.db2.gz QUENRIHYTWNBRI-KRWDZBQOSA-N 1 1 386.879 4.120 20 0 GIADMO Cc1[nH+]ccn1CCCNC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000047380686 822573152 /nfs/dbraw/zinc/57/31/52/822573152.db2.gz HKSJKKRPTCUVTK-UHFFFAOYSA-N 1 1 389.912 4.104 20 0 GIADMO Cc1[nH]nc2ncc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc12 ZINC000047383109 822573408 /nfs/dbraw/zinc/57/34/08/822573408.db2.gz VUHHJKQEWSRXGW-UHFFFAOYSA-N 1 1 377.492 4.283 20 0 GIADMO Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c1C ZINC000047385324 822573419 /nfs/dbraw/zinc/57/34/19/822573419.db2.gz MYHPQZYXRPXXJJ-UHFFFAOYSA-N 1 1 377.473 4.297 20 0 GIADMO C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184070808 822574017 /nfs/dbraw/zinc/57/40/17/822574017.db2.gz ZINCATWNYYSPHD-OAHLLOKOSA-N 1 1 376.884 4.185 20 0 GIADMO Cc1ccc(Br)c(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000455042042 822578450 /nfs/dbraw/zinc/57/84/50/822578450.db2.gz YCQWMEFMUUZRCF-AWEZNQCLSA-N 1 1 380.330 4.096 20 0 GIADMO Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184121572 822581987 /nfs/dbraw/zinc/58/19/87/822581987.db2.gz XKCLUGVNFMZAHE-DOTOQJQBSA-N 1 1 379.863 4.119 20 0 GIADMO Cc1ocnc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000184121572 822581990 /nfs/dbraw/zinc/58/19/90/822581990.db2.gz XKCLUGVNFMZAHE-DOTOQJQBSA-N 1 1 379.863 4.119 20 0 GIADMO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000184149058 822585926 /nfs/dbraw/zinc/58/59/26/822585926.db2.gz PBSZWFDMJZXUDN-NEPJUHHUSA-N 1 1 382.327 4.200 20 0 GIADMO COc1cc(OC)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000047522151 822586721 /nfs/dbraw/zinc/58/67/21/822586721.db2.gz ATUGWRHXVAYTGG-MRXNPFEDSA-N 1 1 398.503 4.339 20 0 GIADMO Cc1nn(C)c2nc(C)c(C(=O)Nc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)cc12 ZINC000047544992 822589252 /nfs/dbraw/zinc/58/92/52/822589252.db2.gz CRMVUGGFOWZURB-OAHLLOKOSA-N 1 1 391.519 4.212 20 0 GIADMO CC(F)(F)CCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455124362 822592594 /nfs/dbraw/zinc/59/25/94/822592594.db2.gz CXTYRADERJDYEP-NRFANRHFSA-N 1 1 379.495 4.120 20 0 GIADMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCC(C)(F)F ZINC000455125424 822592681 /nfs/dbraw/zinc/59/26/81/822592681.db2.gz GNCKJVCDFAKCID-VQIMIIECSA-N 1 1 396.526 4.067 20 0 GIADMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCC(C)(F)F ZINC000455125424 822592684 /nfs/dbraw/zinc/59/26/84/822592684.db2.gz GNCKJVCDFAKCID-VQIMIIECSA-N 1 1 396.526 4.067 20 0 GIADMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nc4cc(F)ccc4n3CC)ccc2NC1=O ZINC000180013547 822596587 /nfs/dbraw/zinc/59/65/87/822596587.db2.gz GMXJUMWWNDVVDT-ORAYPTAESA-N 1 1 396.466 4.156 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000180015268 822597048 /nfs/dbraw/zinc/59/70/48/822597048.db2.gz CHLNMFGWRLIPFX-ZAAXVRCTSA-N 1 1 381.911 4.419 20 0 GIADMO CCOc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)co2)cc1 ZINC000180023761 822598891 /nfs/dbraw/zinc/59/88/91/822598891.db2.gz IPLUKDDRRHQOHV-HNNXBMFYSA-N 1 1 391.471 4.476 20 0 GIADMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3csc(-c4ccoc4)n3)ccc2NC1=O ZINC000180023938 822599108 /nfs/dbraw/zinc/59/91/08/822599108.db2.gz OCVGNAFOLYOKNF-YVEFUNNKSA-N 1 1 383.473 4.363 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc(OC(F)F)c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000047714529 822602653 /nfs/dbraw/zinc/60/26/53/822602653.db2.gz WGEBULMGSAYWJW-LLVKDONJSA-N 1 1 399.438 4.057 20 0 GIADMO C[C@H](CNC(=O)Nc1ccc(OC(F)F)c(F)c1)[N@H+]1CCc2sccc2C1 ZINC000047714529 822602657 /nfs/dbraw/zinc/60/26/57/822602657.db2.gz WGEBULMGSAYWJW-LLVKDONJSA-N 1 1 399.438 4.057 20 0 GIADMO O=C(CCc1ccccc1Cl)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715591 822603363 /nfs/dbraw/zinc/60/33/63/822603363.db2.gz DKBWWRZICLGQBK-UHFFFAOYSA-N 1 1 392.877 4.332 20 0 GIADMO COc1cc([C@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)ccc1OC(F)F ZINC000180048452 822604178 /nfs/dbraw/zinc/60/41/78/822604178.db2.gz GSLOWRNOYDDVLS-ZDUSSCGKSA-N 1 1 393.434 4.010 20 0 GIADMO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3nc(C4CC4)cs3)CC[N@H+]2C2CC2)c1 ZINC000180067692 822608244 /nfs/dbraw/zinc/60/82/44/822608244.db2.gz YDJVISACHYNBDU-PKOBYXMFSA-N 1 1 398.532 4.129 20 0 GIADMO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000184284200 822608569 /nfs/dbraw/zinc/60/85/69/822608569.db2.gz ILUFAMNBYBLHLE-UHFFFAOYSA-N 1 1 385.483 4.271 20 0 GIADMO CCOc1cccc2cc([C@@H](C)NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)oc21 ZINC000047792282 822609384 /nfs/dbraw/zinc/60/93/84/822609384.db2.gz MCBXVXNLMMJAAS-ZBFHGGJFSA-N 1 1 385.464 4.088 20 0 GIADMO C[C@H](C[S@@](C)=O)[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000184300282 822610788 /nfs/dbraw/zinc/61/07/88/822610788.db2.gz MXRNMSFNMDTIPG-XUTBRHNUSA-N 1 1 384.314 4.034 20 0 GIADMO Clc1ccc([C@@H]([NH2+]Cc2cccnc2N2CCOCC2)c2ccccc2)cc1 ZINC000180081398 822611538 /nfs/dbraw/zinc/61/15/38/822611538.db2.gz HQIXLLXRPCEADT-QFIPXVFZSA-N 1 1 393.918 4.451 20 0 GIADMO CCCOc1ccccc1Oc1ncccc1C[NH2+]Cc1cn(C)nc1CC ZINC000180085774 822612201 /nfs/dbraw/zinc/61/22/01/822612201.db2.gz YXYPLVZHQHCNKU-UHFFFAOYSA-N 1 1 380.492 4.248 20 0 GIADMO COCCN(C(C)=O)c1nc(C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)cs1 ZINC000180088530 822612815 /nfs/dbraw/zinc/61/28/15/822612815.db2.gz CVIZFIQNXDCXMF-IBGZPJMESA-N 1 1 389.565 4.328 20 0 GIADMO Cc1nc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c(-c2ccccc2)o1 ZINC000184324401 822615348 /nfs/dbraw/zinc/61/53/48/822615348.db2.gz KJGXPUMSVPAQKH-UHFFFAOYSA-N 1 1 390.418 4.213 20 0 GIADMO O=C(Nc1cccc(OC(F)F)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000047908058 822618659 /nfs/dbraw/zinc/61/86/59/822618659.db2.gz MOWGUXUUPHMDST-UHFFFAOYSA-N 1 1 393.409 4.167 20 0 GIADMO O=C(Nc1cccc(OC(F)F)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000047908058 822618662 /nfs/dbraw/zinc/61/86/62/822618662.db2.gz MOWGUXUUPHMDST-UHFFFAOYSA-N 1 1 393.409 4.167 20 0 GIADMO Cc1cc2c(cc1NC(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)OCO2 ZINC000180126178 822620739 /nfs/dbraw/zinc/62/07/39/822620739.db2.gz CQVXKTCCSYKWJP-KRWDZBQOSA-N 1 1 387.524 4.232 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1nc2ccccc2s1 ZINC000047956954 822622368 /nfs/dbraw/zinc/62/23/68/822622368.db2.gz OQNALMOYPAQBDO-UHFFFAOYSA-N 1 1 382.533 4.136 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000180132559 822622596 /nfs/dbraw/zinc/62/25/96/822622596.db2.gz WEYJZHKHIKNHFR-RHSMWYFYSA-N 1 1 389.931 4.028 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1nc(C)cs1 ZINC000184381507 822625437 /nfs/dbraw/zinc/62/54/37/822625437.db2.gz CLNXPSLYBXICPT-GFCCVEGCSA-N 1 1 386.290 4.033 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000048046714 822626359 /nfs/dbraw/zinc/62/63/59/822626359.db2.gz NZFZLEYEXNHZTP-MOPGFXCFSA-N 1 1 399.579 4.108 20 0 GIADMO COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1C ZINC000180148664 822626947 /nfs/dbraw/zinc/62/69/47/822626947.db2.gz BEVVDCOUTQBDQV-IBGZPJMESA-N 1 1 375.900 4.054 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)c2ncccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000180154617 822628477 /nfs/dbraw/zinc/62/84/77/822628477.db2.gz UQJXHLYSCHZFLM-WBVHZDCISA-N 1 1 391.437 4.226 20 0 GIADMO CC(C)CC(=O)Nc1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000048073598 822629428 /nfs/dbraw/zinc/62/94/28/822629428.db2.gz GJQIUUPKCJQZNW-UHFFFAOYSA-N 1 1 388.556 4.255 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1nc(C)cs1 ZINC000184408706 822629839 /nfs/dbraw/zinc/62/98/39/822629839.db2.gz BWXLGMXKLLNXCI-QGZVFWFLSA-N 1 1 395.532 4.194 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000048084579 822630521 /nfs/dbraw/zinc/63/05/21/822630521.db2.gz KUTGXYRCPLFVKJ-UHFFFAOYSA-N 1 1 396.535 4.245 20 0 GIADMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194715 822636719 /nfs/dbraw/zinc/63/67/19/822636719.db2.gz JQTPETZACMYOSH-KDOFPFPSSA-N 1 1 376.342 4.159 20 0 GIADMO CCN1CC[C@H]([N@H+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194715 822636722 /nfs/dbraw/zinc/63/67/22/822636722.db2.gz JQTPETZACMYOSH-KDOFPFPSSA-N 1 1 376.342 4.159 20 0 GIADMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194715 822636726 /nfs/dbraw/zinc/63/67/26/822636726.db2.gz JQTPETZACMYOSH-KDOFPFPSSA-N 1 1 376.342 4.159 20 0 GIADMO CN(Cc1c(C2CC2)nc2sccn12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180196885 822637437 /nfs/dbraw/zinc/63/74/37/822637437.db2.gz CHMCJONOJJFDNE-SFHVURJKSA-N 1 1 380.561 4.227 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048139353 822637808 /nfs/dbraw/zinc/63/78/08/822637808.db2.gz XHJZDXKYMOQSTR-KRWDZBQOSA-N 1 1 376.520 4.202 20 0 GIADMO O=C(NC[C@H]1CCCC1(F)F)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455393658 822645773 /nfs/dbraw/zinc/64/57/73/822645773.db2.gz COHCFGOHCBUWDB-TZIWHRDSSA-N 1 1 391.506 4.120 20 0 GIADMO CCC[N@@H+](CCc1cccs1)CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000184504247 822646731 /nfs/dbraw/zinc/64/67/31/822646731.db2.gz ZEHQQHRRGOEZAW-FQEVSTJZSA-N 1 1 399.585 4.365 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CSCc1cccnc1 ZINC000048234075 822647320 /nfs/dbraw/zinc/64/73/20/822647320.db2.gz WVKDQMQRCHDGEJ-GOSISDBHSA-N 1 1 383.561 4.006 20 0 GIADMO C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1cccc(O)c1 ZINC000180248022 822647946 /nfs/dbraw/zinc/64/79/46/822647946.db2.gz ZDJWAGQBFVNAIU-LBPRGKRZSA-N 1 1 378.266 4.167 20 0 GIADMO C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1cccc(O)c1 ZINC000180248042 822647958 /nfs/dbraw/zinc/64/79/58/822647958.db2.gz ZDJWAGQBFVNAIU-GFCCVEGCSA-N 1 1 378.266 4.167 20 0 GIADMO COc1ccc(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)c(OC)c1 ZINC000184516119 822649160 /nfs/dbraw/zinc/64/91/60/822649160.db2.gz LIBPKYZVZSQLBW-CQSZACIVSA-N 1 1 397.500 4.117 20 0 GIADMO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000048257203 822649312 /nfs/dbraw/zinc/64/93/12/822649312.db2.gz LRGNUQNQOOZPNN-UHFFFAOYSA-N 1 1 394.519 4.002 20 0 GIADMO O=C(Nc1cccc(C[NH2+][C@H](CCO)c2ccco2)c1)c1ccccc1Cl ZINC000184520511 822649939 /nfs/dbraw/zinc/64/99/39/822649939.db2.gz LTBHVWKSEZXYTM-LJQANCHMSA-N 1 1 384.863 4.399 20 0 GIADMO CC(=O)c1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)ccc1F ZINC000455418685 822650285 /nfs/dbraw/zinc/65/02/85/822650285.db2.gz JBYOSFHCIPBOCA-INIZCTEOSA-N 1 1 383.467 4.014 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)Cc1ccccn1 ZINC000048273495 822650717 /nfs/dbraw/zinc/65/07/17/822650717.db2.gz RMTCEKGNRKQMOJ-QFIPXVFZSA-N 1 1 397.519 4.398 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)Cc1ccccn1 ZINC000048273495 822650721 /nfs/dbraw/zinc/65/07/21/822650721.db2.gz RMTCEKGNRKQMOJ-QFIPXVFZSA-N 1 1 397.519 4.398 20 0 GIADMO CCC(=O)Nc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000048389717 822658654 /nfs/dbraw/zinc/65/86/54/822658654.db2.gz JARSFUJYHBNQMU-UHFFFAOYSA-N 1 1 382.508 4.197 20 0 GIADMO CC(=O)c1cccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000184586401 822661731 /nfs/dbraw/zinc/66/17/31/822661731.db2.gz PSRBCRZRCWRBBO-GOSISDBHSA-N 1 1 393.409 4.332 20 0 GIADMO Cn1ncc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)c1C(F)(F)F ZINC000180327855 822664148 /nfs/dbraw/zinc/66/41/48/822664148.db2.gz IZLPBGLZEUTIAL-KRWDZBQOSA-N 1 1 393.384 4.488 20 0 GIADMO CN(C)C(=O)CC1CC[NH+](Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000180328609 822664156 /nfs/dbraw/zinc/66/41/56/822664156.db2.gz YQIHVXBCZUDLHA-UHFFFAOYSA-N 1 1 378.944 4.352 20 0 GIADMO Cn1cc([C@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2)cn1 ZINC000184601546 822664275 /nfs/dbraw/zinc/66/42/75/822664275.db2.gz YEPSBVUUMCHJQA-GOSISDBHSA-N 1 1 379.357 4.337 20 0 GIADMO Cc1c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cccc1-c1ncco1 ZINC000455492048 822665023 /nfs/dbraw/zinc/66/50/23/822665023.db2.gz QBFCSUZADZKVCG-QGZVFWFLSA-N 1 1 390.487 4.388 20 0 GIADMO Cc1c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cccc1-c1ncco1 ZINC000455492048 822665025 /nfs/dbraw/zinc/66/50/25/822665025.db2.gz QBFCSUZADZKVCG-QGZVFWFLSA-N 1 1 390.487 4.388 20 0 GIADMO C[C@@H](CNC(=O)Nc1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000048479699 822666491 /nfs/dbraw/zinc/66/64/91/822666491.db2.gz AJEBUPVFJYHLHI-ROUUACIJSA-N 1 1 394.519 4.181 20 0 GIADMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)C[C@@H]1CC ZINC000455499460 822666603 /nfs/dbraw/zinc/66/66/03/822666603.db2.gz DPAKKJKLYTZLIX-NRFANRHFSA-N 1 1 396.535 4.022 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000184675983 822674519 /nfs/dbraw/zinc/67/45/19/822674519.db2.gz VAAAOVQREVTHLE-MRXNPFEDSA-N 1 1 384.915 4.078 20 0 GIADMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000184675983 822674522 /nfs/dbraw/zinc/67/45/22/822674522.db2.gz VAAAOVQREVTHLE-MRXNPFEDSA-N 1 1 384.915 4.078 20 0 GIADMO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000180415753 822677842 /nfs/dbraw/zinc/67/78/42/822677842.db2.gz AQXBOWZHBKQBHA-AWEZNQCLSA-N 1 1 396.373 4.019 20 0 GIADMO O=C(NCCC1CC(F)(F)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455591553 822680048 /nfs/dbraw/zinc/68/00/48/822680048.db2.gz BVGFCZCXPIHNJE-VQTJNVASSA-N 1 1 391.506 4.118 20 0 GIADMO CCN(CC)[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000184708234 822680195 /nfs/dbraw/zinc/68/01/95/822680195.db2.gz MFPBQUKSVUVWBC-NRFANRHFSA-N 1 1 397.563 4.081 20 0 GIADMO CCOc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1OC ZINC000048776398 822682206 /nfs/dbraw/zinc/68/22/06/822682206.db2.gz LXDPWMHHFQWGQO-UHFFFAOYSA-N 1 1 377.488 4.058 20 0 GIADMO CC1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Br)CC2)CC1 ZINC000180440616 822682413 /nfs/dbraw/zinc/68/24/13/822682413.db2.gz VWJRDSWGRKKKQX-UHFFFAOYSA-N 1 1 397.332 4.059 20 0 GIADMO COc1cccc(C[NH2+][C@H](C)c2cc3c(cc2Br)OCCO3)c1 ZINC000048786268 822683323 /nfs/dbraw/zinc/68/33/23/822683323.db2.gz IURIIJQAMNLLMS-GFCCVEGCSA-N 1 1 378.266 4.080 20 0 GIADMO Cc1c(-c2cc(C[NH2+][C@H](C)c3ccc(OCC4CC4)c(F)c3)on2)cnn1C ZINC000184733019 822683711 /nfs/dbraw/zinc/68/37/11/822683711.db2.gz UPZDNDFIYMVPBD-CYBMUJFWSA-N 1 1 384.455 4.162 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000455609162 822683796 /nfs/dbraw/zinc/68/37/96/822683796.db2.gz KRGUOKJJILAHHR-UHFFFAOYSA-N 1 1 397.485 4.469 20 0 GIADMO C[N@@H+](CCCCNC(=O)N(Cc1cccs1)Cc1cccs1)C1CC1 ZINC000455614534 822684759 /nfs/dbraw/zinc/68/47/59/822684759.db2.gz NRNVKVNGSHISSP-UHFFFAOYSA-N 1 1 377.579 4.396 20 0 GIADMO COCc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000048828356 822684905 /nfs/dbraw/zinc/68/49/05/822684905.db2.gz ZKEPRYGRUJQMKZ-LJQANCHMSA-N 1 1 395.547 4.064 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1)C1CC1 ZINC000455619258 822685323 /nfs/dbraw/zinc/68/53/23/822685323.db2.gz QWTUDDBWCRSNEY-HXUWFJFHSA-N 1 1 379.495 4.132 20 0 GIADMO Cc1cc(NC(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)cn2cc[nH+]c12 ZINC000455632496 822687203 /nfs/dbraw/zinc/68/72/03/822687203.db2.gz UZVYQYJLHHYNAQ-UHFFFAOYSA-N 1 1 392.381 4.248 20 0 GIADMO C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180466890 822687197 /nfs/dbraw/zinc/68/71/97/822687197.db2.gz DHCORBDJKGATPT-QFIPXVFZSA-N 1 1 389.946 4.186 20 0 GIADMO CN1CCC[N@H+](CCCN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180466890 822687199 /nfs/dbraw/zinc/68/71/99/822687199.db2.gz DHCORBDJKGATPT-QFIPXVFZSA-N 1 1 389.946 4.186 20 0 GIADMO CN1CCC[N@@H+](CCCN[C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180466890 822687202 /nfs/dbraw/zinc/68/72/02/822687202.db2.gz DHCORBDJKGATPT-QFIPXVFZSA-N 1 1 389.946 4.186 20 0 GIADMO CC(C)n1cc(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)cn1 ZINC000184770140 822688725 /nfs/dbraw/zinc/68/87/25/822688725.db2.gz QERPCZKQEFRLPC-UHFFFAOYSA-N 1 1 378.314 4.270 20 0 GIADMO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184786910 822690911 /nfs/dbraw/zinc/69/09/11/822690911.db2.gz PMYWTXNRSMUASZ-ZDUSSCGKSA-N 1 1 385.537 4.288 20 0 GIADMO CCOc1c(OC)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1OC ZINC000180507628 822693333 /nfs/dbraw/zinc/69/33/33/822693333.db2.gz JUBUVOBXGXPULP-IRXDYDNUSA-N 1 1 391.533 4.252 20 0 GIADMO CCN(C(=O)Nc1ccc([C@@H]2CCOC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455659596 822693667 /nfs/dbraw/zinc/69/36/67/822693667.db2.gz GPBFVJFSGMCCCF-GGAORHGYSA-N 1 1 393.531 4.319 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000180513545 822694383 /nfs/dbraw/zinc/69/43/83/822694383.db2.gz AMSJJNKTYQUNKK-KBXCAEBGSA-N 1 1 384.549 4.081 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000180513545 822694385 /nfs/dbraw/zinc/69/43/85/822694385.db2.gz AMSJJNKTYQUNKK-KBXCAEBGSA-N 1 1 384.549 4.081 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(F)c(Br)cc2C)[C@H](C)C1 ZINC000184838669 822698184 /nfs/dbraw/zinc/69/81/84/822698184.db2.gz CHODDXFJRBXLDA-WBMJQRKESA-N 1 1 386.309 4.091 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2O)C1 ZINC000180537108 822698297 /nfs/dbraw/zinc/69/82/97/822698297.db2.gz LSEIPBMOCTXGBG-CABCVRRESA-N 1 1 384.442 4.138 20 0 GIADMO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180568815 822704032 /nfs/dbraw/zinc/70/40/32/822704032.db2.gz VCNQIZZIWIVWHC-GOSISDBHSA-N 1 1 382.401 4.376 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc(Cl)cn1 ZINC000180581675 822705893 /nfs/dbraw/zinc/70/58/93/822705893.db2.gz FCIQQHGOQJZANB-ZDUSSCGKSA-N 1 1 375.753 4.096 20 0 GIADMO CCOC(=O)CC[N@H+](Cc1cc(-c2ccc(Cl)cc2)no1)Cc1cccnc1 ZINC000180596668 822708113 /nfs/dbraw/zinc/70/81/13/822708113.db2.gz HQHFFAGLBACHNA-UHFFFAOYSA-N 1 1 399.878 4.345 20 0 GIADMO CCOC(=O)CC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)Cc1cccnc1 ZINC000180596668 822708114 /nfs/dbraw/zinc/70/81/14/822708114.db2.gz HQHFFAGLBACHNA-UHFFFAOYSA-N 1 1 399.878 4.345 20 0 GIADMO Cc1ccc(S(=O)(=O)CCC[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184891544 822708444 /nfs/dbraw/zinc/70/84/44/822708444.db2.gz WVAMEKJAWUFRSJ-KRWDZBQOSA-N 1 1 384.501 4.165 20 0 GIADMO CCN(C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)[C@H](C)c1cccc(OC)c1 ZINC000049789715 822709467 /nfs/dbraw/zinc/70/94/67/822709467.db2.gz UQXHOMUQVXAVFY-DYESRHJHSA-N 1 1 399.535 4.099 20 0 GIADMO C[C@H](CNC(=O)Nc1cn(C)nc1C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000455720746 822713208 /nfs/dbraw/zinc/71/32/08/822713208.db2.gz VGTUZHNWJBOBCK-QGZVFWFLSA-N 1 1 383.540 4.110 20 0 GIADMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C2CC2)n1 ZINC000455722113 822713584 /nfs/dbraw/zinc/71/35/84/822713584.db2.gz XKLSAXRPCFJQMQ-GHTZIAJQSA-N 1 1 377.532 4.393 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc3cc(C(=O)OC)sc32)C[C@@H]1C ZINC000455724082 822713942 /nfs/dbraw/zinc/71/39/42/822713942.db2.gz ZSNFQNBFBKZRGF-ZFWWWQNUSA-N 1 1 389.521 4.024 20 0 GIADMO COc1c(F)cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000050058206 822716461 /nfs/dbraw/zinc/71/64/61/822716461.db2.gz AKHMCKKSSGGVCU-ZDUSSCGKSA-N 1 1 395.475 4.069 20 0 GIADMO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000184961894 822719027 /nfs/dbraw/zinc/71/90/27/822719027.db2.gz IJAFISRSOXQBMK-NWDGAFQWSA-N 1 1 396.354 4.138 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](CC(C)C)c2cccs2)cn1 ZINC000050140531 822720252 /nfs/dbraw/zinc/72/02/52/822720252.db2.gz 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CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C(C)(C)C)n2)c2ccc(F)cc2C1 ZINC000185357398 822770693 /nfs/dbraw/zinc/77/06/93/822770693.db2.gz XFNLVATUUMFXRA-GOSISDBHSA-N 1 1 375.513 4.163 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185360125 822771245 /nfs/dbraw/zinc/77/12/45/822771245.db2.gz JMOYOFUPXGHJSI-SJKOYZFVSA-N 1 1 393.940 4.490 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1C ZINC000185364637 822772457 /nfs/dbraw/zinc/77/24/57/822772457.db2.gz LBNZJDFCQDRVEG-JOCHJYFZSA-N 1 1 396.535 4.232 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185364792 822772474 /nfs/dbraw/zinc/77/24/74/822772474.db2.gz DXFQUKWOVDSOCI-CRAIPNDOSA-N 1 1 375.563 4.090 20 0 GIADMO Cc1ccc(NCCCNC(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)[nH+]c1 ZINC000051686789 822773698 /nfs/dbraw/zinc/77/36/98/822773698.db2.gz KGINMYAVUYGHKR-IRLDBZIGSA-N 1 1 396.535 4.001 20 0 GIADMO Clc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2cc[nH]n2)cc1 ZINC000174367188 822778788 /nfs/dbraw/zinc/77/87/88/822778788.db2.gz YYKGNRXTDGAJQB-UHFFFAOYSA-N 1 1 377.879 4.265 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000174368933 822779263 /nfs/dbraw/zinc/77/92/63/822779263.db2.gz NEIVMBHMZQAKOR-UHFFFAOYSA-N 1 1 376.460 4.288 20 0 GIADMO Cn1cc([C@H]([NH2+]C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c2ccc(F)cc2)cn1 ZINC000185410672 822780215 /nfs/dbraw/zinc/78/02/15/822780215.db2.gz JKSNFYYLGYJGMV-TZIWHRDSSA-N 1 1 398.869 4.085 20 0 GIADMO C[C@@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-n2cccn2)cc1 ZINC000174380091 822781000 /nfs/dbraw/zinc/78/10/00/822781000.db2.gz OPLZOWSVULZDIV-AUSIDOKSSA-N 1 1 388.515 4.277 20 0 GIADMO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000185437230 822783693 /nfs/dbraw/zinc/78/36/93/822783693.db2.gz FOQWHXOQKXECMG-MJGOQNOKSA-N 1 1 383.536 4.251 20 0 GIADMO CC(C)Oc1ccc2ccccc2c1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000185439202 822784095 /nfs/dbraw/zinc/78/40/95/822784095.db2.gz RDPBIFJMGCEZFD-SFHVURJKSA-N 1 1 383.536 4.110 20 0 GIADMO NC(=O)c1csc(C[NH2+][C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)c1 ZINC000185441373 822784383 /nfs/dbraw/zinc/78/43/83/822784383.db2.gz UYSSKGPGTKVODR-OAHLLOKOSA-N 1 1 387.505 4.277 20 0 GIADMO Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000174405089 822785762 /nfs/dbraw/zinc/78/57/62/822785762.db2.gz ZMLOPFVLUCPNFN-OAQYLSRUSA-N 1 1 397.906 4.373 20 0 GIADMO CCOc1ccccc1[C@H](CC(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174411445 822786586 /nfs/dbraw/zinc/78/65/86/822786586.db2.gz PWTLIYAWJDXQNL-HBFSDRIKSA-N 1 1 375.557 4.297 20 0 GIADMO C[C@@H](CCNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)[N@@H+](C)Cc1ccccc1 ZINC000174418703 822787412 /nfs/dbraw/zinc/78/74/12/822787412.db2.gz ZQDHKSCVYDFPDL-KRWDZBQOSA-N 1 1 394.544 4.175 20 0 GIADMO Cc1cc(C)c(NC(=O)CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(Cl)c1 ZINC000185483239 822789395 /nfs/dbraw/zinc/78/93/95/822789395.db2.gz UHWKSYSGPXZEQE-INIZCTEOSA-N 1 1 391.968 4.336 20 0 GIADMO Cn1c(=S)n(CN2CCC[N@H+](C(C)(C)C)CC2)nc1-c1ccc(Cl)cc1 ZINC000052087318 822790198 /nfs/dbraw/zinc/79/01/98/822790198.db2.gz GUWXASXPQOYZFX-UHFFFAOYSA-N 1 1 393.988 4.035 20 0 GIADMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185493080 822790515 /nfs/dbraw/zinc/79/05/15/822790515.db2.gz HOQXEKWCEQQOHB-HNNXBMFYSA-N 1 1 383.879 4.435 20 0 GIADMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1Oc1cccnc1 ZINC000052148403 822791518 /nfs/dbraw/zinc/79/15/18/822791518.db2.gz CIQSDOGCXAPNMA-UHFFFAOYSA-N 1 1 384.439 4.298 20 0 GIADMO CC1CCN(C(=O)C2CC[NH+](CCOc3c(Cl)cccc3Cl)CC2)CC1 ZINC000052157838 822791671 /nfs/dbraw/zinc/79/16/71/822791671.db2.gz VSGZXGQIQRHNOO-UHFFFAOYSA-N 1 1 399.362 4.343 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000052186713 822792746 /nfs/dbraw/zinc/79/27/46/822792746.db2.gz KVSRUUXNXFFHOC-GOSISDBHSA-N 1 1 387.568 4.108 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000052186266 822792779 /nfs/dbraw/zinc/79/27/79/822792779.db2.gz KKTUZCDBWBKFGR-UHFFFAOYSA-N 1 1 388.886 4.412 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC2(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000185518674 822792835 /nfs/dbraw/zinc/79/28/35/822792835.db2.gz MJOGGQJWAPXTRZ-UYAOXDASSA-N 1 1 383.561 4.206 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000052192060 822792921 /nfs/dbraw/zinc/79/29/21/822792921.db2.gz GIKKLQDVGXJFCA-UHFFFAOYSA-N 1 1 383.502 4.036 20 0 GIADMO CCN(Cc1cncc(Br)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486372 822795943 /nfs/dbraw/zinc/79/59/43/822795943.db2.gz NKQUDFCLRCPQNK-SFHVURJKSA-N 1 1 388.353 4.188 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 ZINC000174489911 822796212 /nfs/dbraw/zinc/79/62/12/822796212.db2.gz SWTWWSPMCMVNIT-SFHVURJKSA-N 1 1 393.506 4.243 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC000174494255 822796549 /nfs/dbraw/zinc/79/65/49/822796549.db2.gz QMQGHMQVCHQQDJ-AWEZNQCLSA-N 1 1 385.558 4.439 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3c(F)cccc3NC3CC3)cc2)C[C@H](C)O1 ZINC000174510936 822799053 /nfs/dbraw/zinc/79/90/53/822799053.db2.gz DCUBRVNKJHVJMA-IYBDPMFKSA-N 1 1 397.494 4.262 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3c(F)cccc3NC3CC3)cc2)C[C@H](C)O1 ZINC000174510936 822799054 /nfs/dbraw/zinc/79/90/54/822799054.db2.gz DCUBRVNKJHVJMA-IYBDPMFKSA-N 1 1 397.494 4.262 20 0 GIADMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(COC(C)C)cc2)c1 ZINC000052430099 822799326 /nfs/dbraw/zinc/79/93/26/822799326.db2.gz RUMWRRSHJWPUGQ-QHCPKHFHSA-N 1 1 396.531 4.074 20 0 GIADMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(COC(C)C)cc2)c1 ZINC000052430099 822799329 /nfs/dbraw/zinc/79/93/29/822799329.db2.gz RUMWRRSHJWPUGQ-QHCPKHFHSA-N 1 1 396.531 4.074 20 0 GIADMO CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC000052432005 822799420 /nfs/dbraw/zinc/79/94/20/822799420.db2.gz FYAUAWSQFZLBKF-YLJYHZDGSA-N 1 1 382.504 4.108 20 0 GIADMO Cc1ccccc1OCCC[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000052457862 822800361 /nfs/dbraw/zinc/80/03/61/822800361.db2.gz DWZKBJRLPOSDGZ-UHFFFAOYSA-N 1 1 380.410 4.353 20 0 GIADMO Cc1ccccc1OCCC[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000052457862 822800365 /nfs/dbraw/zinc/80/03/65/822800365.db2.gz DWZKBJRLPOSDGZ-UHFFFAOYSA-N 1 1 380.410 4.353 20 0 GIADMO COc1ccc(N2CCC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000052466894 822800866 /nfs/dbraw/zinc/80/08/66/822800866.db2.gz IMCNOPVJNARZMJ-UHFFFAOYSA-N 1 1 381.451 4.202 20 0 GIADMO C[N@@H+](Cc1ccccc1NC(=O)NC[C@](C)(O)c1ccco1)C1CCCCC1 ZINC000174526411 822801196 /nfs/dbraw/zinc/80/11/96/822801196.db2.gz KIWWVKODGNUGEG-QFIPXVFZSA-N 1 1 385.508 4.073 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)ccc1O ZINC000174537517 822802825 /nfs/dbraw/zinc/80/28/25/822802825.db2.gz CPYCEAVIRVWUML-UHFFFAOYSA-N 1 1 376.456 4.285 20 0 GIADMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000185647434 822806398 /nfs/dbraw/zinc/80/63/98/822806398.db2.gz YLLZAHHSHPVEPN-GFCCVEGCSA-N 1 1 395.404 4.238 20 0 GIADMO O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCc2ccc(F)c(F)c21 ZINC000456441487 822807344 /nfs/dbraw/zinc/80/73/44/822807344.db2.gz QZPHKCLKNSROPY-INIZCTEOSA-N 1 1 385.458 4.361 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)cc1F ZINC000052712398 822808259 /nfs/dbraw/zinc/80/82/59/822808259.db2.gz ZGUNBFPXZPXUFG-GHMZBOCLSA-N 1 1 375.469 4.161 20 0 GIADMO O=C(NC1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1)c1ccccc1F ZINC000052724477 822808464 /nfs/dbraw/zinc/80/84/64/822808464.db2.gz KVCLIQFDWYKGGP-UHFFFAOYSA-N 1 1 395.503 4.344 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000174594081 822809521 /nfs/dbraw/zinc/80/95/21/822809521.db2.gz MLMUPVAWHTYODR-QGZVFWFLSA-N 1 1 391.519 4.370 20 0 GIADMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000174594081 822809524 /nfs/dbraw/zinc/80/95/24/822809524.db2.gz MLMUPVAWHTYODR-QGZVFWFLSA-N 1 1 391.519 4.370 20 0 GIADMO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804118 822811195 /nfs/dbraw/zinc/81/11/95/822811195.db2.gz DHLNIUQKWHRAPA-HNAYVOBHSA-N 1 1 383.517 4.039 20 0 GIADMO C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804118 822811198 /nfs/dbraw/zinc/81/11/98/822811198.db2.gz DHLNIUQKWHRAPA-HNAYVOBHSA-N 1 1 383.517 4.039 20 0 GIADMO C[C@@H](N[C@@H](C)C(=O)Nc1ccc2ccccc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697941 822811215 /nfs/dbraw/zinc/81/12/15/822811215.db2.gz HTPHQLYVOGISER-LQWHRVPQSA-N 1 1 379.548 4.409 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804125 822811210 /nfs/dbraw/zinc/81/12/10/822811210.db2.gz FDXARCVYGVMOMU-DNVCBOLYSA-N 1 1 383.517 4.039 20 0 GIADMO C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000052804125 822811212 /nfs/dbraw/zinc/81/12/12/822811212.db2.gz FDXARCVYGVMOMU-DNVCBOLYSA-N 1 1 383.517 4.039 20 0 GIADMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000052816814 822811589 /nfs/dbraw/zinc/81/15/89/822811589.db2.gz UPNAYSPWQGUATJ-OAHLLOKOSA-N 1 1 391.918 4.438 20 0 GIADMO CCSCc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000456510013 822811579 /nfs/dbraw/zinc/81/15/79/822811579.db2.gz YJDBSZDDQKRNCP-OAQYLSRUSA-N 1 1 384.545 4.076 20 0 GIADMO COC(=O)COc1ccc([C@H](C)[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000185701678 822811731 /nfs/dbraw/zinc/81/17/31/822811731.db2.gz NRYBTSFNLPIABV-JKSUJKDBSA-N 1 1 380.444 4.305 20 0 GIADMO COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000052822095 822812039 /nfs/dbraw/zinc/81/20/39/822812039.db2.gz SKXDBDBCBLLHOC-NHCUHLMSSA-N 1 1 397.519 4.272 20 0 GIADMO COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000052822095 822812041 /nfs/dbraw/zinc/81/20/41/822812041.db2.gz SKXDBDBCBLLHOC-NHCUHLMSSA-N 1 1 397.519 4.272 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000052829887 822812402 /nfs/dbraw/zinc/81/24/02/822812402.db2.gz YHCFMFSFWANAIZ-HNNXBMFYSA-N 1 1 398.869 4.273 20 0 GIADMO O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCOCC12CCCCC2 ZINC000456520062 822812603 /nfs/dbraw/zinc/81/26/03/822812603.db2.gz JGOUNRCEKRDCHS-IBGZPJMESA-N 1 1 385.552 4.055 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711753 822812916 /nfs/dbraw/zinc/81/29/16/822812916.db2.gz FNBLVYYLOIQXLA-YQVWRLOYSA-N 1 1 391.987 4.102 20 0 GIADMO COc1ccc(-c2noc([C@@H](C)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)cc1 ZINC000185712127 822813123 /nfs/dbraw/zinc/81/31/23/822813123.db2.gz INCGIPKKGXATEE-JFIYKMOQSA-N 1 1 384.524 4.049 20 0 GIADMO COc1ccc(C[N@H+](Cc2nnnn2-c2c(C)cccc2C)[C@H](C)C2CC2)cc1 ZINC000052867376 822813463 /nfs/dbraw/zinc/81/34/63/822813463.db2.gz YZEOFBBPVDFRSU-GOSISDBHSA-N 1 1 391.519 4.088 20 0 GIADMO COc1ccc(C[N@@H+](Cc2nnnn2-c2c(C)cccc2C)[C@H](C)C2CC2)cc1 ZINC000052867376 822813467 /nfs/dbraw/zinc/81/34/67/822813467.db2.gz YZEOFBBPVDFRSU-GOSISDBHSA-N 1 1 391.519 4.088 20 0 GIADMO C[NH+](C)[C@H](C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(Cl)c1 ZINC000456544154 822814567 /nfs/dbraw/zinc/81/45/67/822814567.db2.gz PZTDTACNAAOVEH-NUJGCVRESA-N 1 1 378.925 4.041 20 0 GIADMO CCOc1ccc(C[N@@H+](C)CCCc2nc(-c3cccs3)no2)cc1OC ZINC000052892047 822814573 /nfs/dbraw/zinc/81/45/73/822814573.db2.gz QNOIUDJUXPWYGQ-UHFFFAOYSA-N 1 1 387.505 4.270 20 0 GIADMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000052906649 822814773 /nfs/dbraw/zinc/81/47/73/822814773.db2.gz AKMMQLGSSNJBDP-SFHVURJKSA-N 1 1 390.874 4.399 20 0 GIADMO Cc1ncsc1C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000174634251 822815324 /nfs/dbraw/zinc/81/53/24/822815324.db2.gz JBTXERBJVVANKB-HXUWFJFHSA-N 1 1 386.542 4.043 20 0 GIADMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)c2nnc3ccccn32)o1 ZINC000052918910 822815683 /nfs/dbraw/zinc/81/56/83/822815683.db2.gz LWCMLSSOURJSCG-QGZVFWFLSA-N 1 1 398.470 4.334 20 0 GIADMO C[N@@H+](Cc1cc(Br)cs1)C1CCN(CCc2ccccn2)CC1 ZINC000174655336 822818540 /nfs/dbraw/zinc/81/85/40/822818540.db2.gz JTCICQDVRZSKLJ-UHFFFAOYSA-N 1 1 394.382 4.045 20 0 GIADMO CN(Cc1cc(Br)cs1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655336 822818543 /nfs/dbraw/zinc/81/85/43/822818543.db2.gz JTCICQDVRZSKLJ-UHFFFAOYSA-N 1 1 394.382 4.045 20 0 GIADMO O=C(NCC1(CCOCc2ccccc2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000185766016 822819106 /nfs/dbraw/zinc/81/91/06/822819106.db2.gz INJADYVFUNPSPF-UHFFFAOYSA-N 1 1 399.579 4.033 20 0 GIADMO Cc1cc(C)cc(OCc2noc(CN[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)c1 ZINC000185767839 822819366 /nfs/dbraw/zinc/81/93/66/822819366.db2.gz YVNWCZCNDOAZSN-RBUKOAKNSA-N 1 1 398.551 4.008 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)CCCCc1ccccc1 ZINC000053079980 822820551 /nfs/dbraw/zinc/82/05/51/822820551.db2.gz TYEXBLOTWSYKMZ-UHFFFAOYSA-N 1 1 390.531 4.382 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000053112905 822822209 /nfs/dbraw/zinc/82/22/09/822822209.db2.gz FCPGSTWBUAIEDY-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000053112905 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ZINC000457629417 822898792 /nfs/dbraw/zinc/89/87/92/822898792.db2.gz KWNNWJDUZBTZLF-LAUBAEHRSA-N 1 1 386.923 4.026 20 0 GIADMO Cc1cc(Br)c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000457635933 822899426 /nfs/dbraw/zinc/89/94/26/822899426.db2.gz JOZINUOXCYQISQ-WFASDCNBSA-N 1 1 393.350 4.212 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000054620687 822899511 /nfs/dbraw/zinc/89/95/11/822899511.db2.gz IVZUBSZVHZSMGZ-CYBMUJFWSA-N 1 1 380.473 4.127 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000054625012 822899976 /nfs/dbraw/zinc/89/99/76/822899976.db2.gz ATIRYXMMRBTNDX-SFHVURJKSA-N 1 1 399.498 4.110 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)cn1 ZINC000054626367 822899988 /nfs/dbraw/zinc/89/99/88/822899988.db2.gz GICDOCWEEOZAAT-UHFFFAOYSA-N 1 1 392.846 4.419 20 0 GIADMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000186478196 822901764 /nfs/dbraw/zinc/90/17/64/822901764.db2.gz ILPIEOLTDSBHBC-TXTKFYIRSA-N 1 1 380.536 4.259 20 0 GIADMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(CCc3ccc(Cl)c(Cl)c3)n1)OC2 ZINC000569290459 822902507 /nfs/dbraw/zinc/90/25/07/822902507.db2.gz VHOFKOOGJDGQIP-CRAIPNDOSA-N 1 1 382.291 4.087 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@H](c1noc(CCc3ccc(Cl)c(Cl)c3)n1)OC2 ZINC000569290459 822902508 /nfs/dbraw/zinc/90/25/08/822902508.db2.gz VHOFKOOGJDGQIP-CRAIPNDOSA-N 1 1 382.291 4.087 20 0 GIADMO CC[C@H](CC(F)F)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000457657748 822902531 /nfs/dbraw/zinc/90/25/31/822902531.db2.gz KJKWTXZNZINYRA-KFKAGJAMSA-N 1 1 381.511 4.130 20 0 GIADMO CC[C@H](CC(F)F)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000457657748 822902533 /nfs/dbraw/zinc/90/25/33/822902533.db2.gz KJKWTXZNZINYRA-KFKAGJAMSA-N 1 1 381.511 4.130 20 0 GIADMO Cc1cc(OCc2ccccc2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000457670238 822904308 /nfs/dbraw/zinc/90/43/08/822904308.db2.gz XDIYQACRDROZKG-RTBURBONSA-N 1 1 384.545 4.192 20 0 GIADMO C[C@H](CC(F)(F)F)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457675539 822904994 /nfs/dbraw/zinc/90/49/94/822904994.db2.gz ASKRLKPTFWESRH-IFUGULHKSA-N 1 1 380.813 4.177 20 0 GIADMO CCCOC[C@H](Cc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186503286 822905873 /nfs/dbraw/zinc/90/58/73/822905873.db2.gz VFQUSOPRFQCPAS-HSALFYBXSA-N 1 1 395.385 4.003 20 0 GIADMO CCCOC[C@H](Cc1cccc(Br)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186503286 822905876 /nfs/dbraw/zinc/90/58/76/822905876.db2.gz VFQUSOPRFQCPAS-HSALFYBXSA-N 1 1 395.385 4.003 20 0 GIADMO CN(Cc1csc2ccccc12)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054686398 822906404 /nfs/dbraw/zinc/90/64/04/822906404.db2.gz ZFWKROCLDLGCEE-UHFFFAOYSA-N 1 1 385.558 4.163 20 0 GIADMO CN(Cc1csc2ccccc12)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054686398 822906407 /nfs/dbraw/zinc/90/64/07/822906407.db2.gz ZFWKROCLDLGCEE-UHFFFAOYSA-N 1 1 385.558 4.163 20 0 GIADMO Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000457688325 822906906 /nfs/dbraw/zinc/90/69/06/822906906.db2.gz VBGKPTSTNGIKKF-UTKZUKDTSA-N 1 1 398.547 4.039 20 0 GIADMO COc1cccc([C@H]2C[C@H](N(C)C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)C2)c1 ZINC000457728625 822911759 /nfs/dbraw/zinc/91/17/59/822911759.db2.gz HEPVZYYATKLATF-JBACZVJFSA-N 1 1 387.568 4.095 20 0 GIADMO Cc1ccc(OCCCC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(Cl)c1 ZINC000569371624 822912477 /nfs/dbraw/zinc/91/24/77/822912477.db2.gz FJBVBLREPHVDKE-QGZVFWFLSA-N 1 1 378.944 4.140 20 0 GIADMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186564306 822914007 /nfs/dbraw/zinc/91/40/07/822914007.db2.gz OILDWWJIHNWYGN-JSGCOSHPSA-N 1 1 376.397 4.048 20 0 GIADMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000186564824 822914035 /nfs/dbraw/zinc/91/40/35/822914035.db2.gz AZBSYWMPGPEVMF-LJQANCHMSA-N 1 1 398.576 4.363 20 0 GIADMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000054805940 822914222 /nfs/dbraw/zinc/91/42/22/822914222.db2.gz DQMXOJYICRAZST-ROUUACIJSA-N 1 1 398.551 4.227 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C2CC2)cc1 ZINC000054808062 822914671 /nfs/dbraw/zinc/91/46/71/822914671.db2.gz HJDZXVMYXQMLSE-UHFFFAOYSA-N 1 1 378.516 4.486 20 0 GIADMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000175252105 822914686 /nfs/dbraw/zinc/91/46/86/822914686.db2.gz UKAOHYMSEFUATF-DLBZAZTESA-N 1 1 379.529 4.396 20 0 GIADMO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000175252147 822914748 /nfs/dbraw/zinc/91/47/48/822914748.db2.gz UKAOHYMSEFUATF-IAGOWNOFSA-N 1 1 379.529 4.396 20 0 GIADMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186569489 822915257 /nfs/dbraw/zinc/91/52/57/822915257.db2.gz OZGAVXQVKLYHNY-OAHLLOKOSA-N 1 1 398.938 4.271 20 0 GIADMO O=C(Cc1ccccc1OC1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457761342 822915839 /nfs/dbraw/zinc/91/58/39/822915839.db2.gz IXNYUPSQBUTMED-OAQYLSRUSA-N 1 1 392.543 4.189 20 0 GIADMO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)CCN2CCN(C)CC2)CCC3)cc1 ZINC000186575834 822916123 /nfs/dbraw/zinc/91/61/23/822916123.db2.gz IYOYVPXBVISHHY-QUCCMNQESA-N 1 1 398.620 4.112 20 0 GIADMO Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cs1 ZINC000569399081 822916719 /nfs/dbraw/zinc/91/67/19/822916719.db2.gz DMTVVXWOMFIPLV-HNNXBMFYSA-N 1 1 391.556 4.380 20 0 GIADMO CCOc1c(F)cccc1C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175268887 822920109 /nfs/dbraw/zinc/92/01/09/822920109.db2.gz KDIJJYDDEUYVSL-IBGZPJMESA-N 1 1 384.495 4.209 20 0 GIADMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)C2)C1 ZINC000569420062 822920351 /nfs/dbraw/zinc/92/03/51/822920351.db2.gz DPMQXNMLLOYVEY-HXUWFJFHSA-N 1 1 386.883 4.087 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000175271012 822920932 /nfs/dbraw/zinc/92/09/32/822920932.db2.gz CSPGZOAJVRPBAL-INIZCTEOSA-N 1 1 376.422 4.088 20 0 GIADMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186598947 822921222 /nfs/dbraw/zinc/92/12/22/822921222.db2.gz MHILFZPGEOVCCN-OALUTQOASA-N 1 1 385.527 4.295 20 0 GIADMO CC[C@H]1c2ccsc2CCN1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000175278404 822922718 /nfs/dbraw/zinc/92/27/18/822922718.db2.gz PYCDHFUTXXZPHV-SFHVURJKSA-N 1 1 384.549 4.139 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](c3ccccc3)c3ccc(F)cc3)C2)C1 ZINC000457834006 822924014 /nfs/dbraw/zinc/92/40/14/822924014.db2.gz QQJPDPGHJQYAIH-JTHBVZDNSA-N 1 1 381.495 4.042 20 0 GIADMO O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000569449132 822925004 /nfs/dbraw/zinc/92/50/04/822925004.db2.gz WBNWZOSIADXMJO-XZOQPEGZSA-N 1 1 389.543 4.090 20 0 GIADMO Brc1ccc(-c2nccc(C[N@H+]3CC[C@H](c4ccncc4)C3)n2)cc1 ZINC000569468585 822926711 /nfs/dbraw/zinc/92/67/11/822926711.db2.gz GLLPSPUWDAFGPR-KRWDZBQOSA-N 1 1 395.304 4.291 20 0 GIADMO CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000175293550 822926828 /nfs/dbraw/zinc/92/68/28/822926828.db2.gz UPNIWXQLHOPTSQ-STZQEDGTSA-N 1 1 380.536 4.227 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(NC(=O)c2ccccc2)c1C ZINC000054975477 822927336 /nfs/dbraw/zinc/92/73/36/822927336.db2.gz HTZBRHMXIMHKHS-SFHVURJKSA-N 1 1 396.560 4.018 20 0 GIADMO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000569478518 822927825 /nfs/dbraw/zinc/92/78/25/822927825.db2.gz MRBVYNQZNYNXOG-XMSQKQJNSA-N 1 1 385.471 4.021 20 0 GIADMO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000569478518 822927828 /nfs/dbraw/zinc/92/78/28/822927828.db2.gz MRBVYNQZNYNXOG-XMSQKQJNSA-N 1 1 385.471 4.021 20 0 GIADMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000186644813 822928891 /nfs/dbraw/zinc/92/88/91/822928891.db2.gz IIHUVPBVAPVXSD-MWTRTKDXSA-N 1 1 392.478 4.126 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)c(F)cn1 ZINC000569495544 822929682 /nfs/dbraw/zinc/92/96/82/822929682.db2.gz NXOZOQMSFZTQJP-INIZCTEOSA-N 1 1 392.478 4.038 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000569508166 822931455 /nfs/dbraw/zinc/93/14/55/822931455.db2.gz ORMBOKVMQSFRJS-AWEZNQCLSA-N 1 1 395.400 4.388 20 0 GIADMO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F)c1ccccc1 ZINC000569511530 822932271 /nfs/dbraw/zinc/93/22/71/822932271.db2.gz ZYHCDXDDMXEMKO-STQMWFEESA-N 1 1 379.273 4.116 20 0 GIADMO O=C(Nc1ccccc1)NC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000055030460 822932521 /nfs/dbraw/zinc/93/25/21/822932521.db2.gz CUMIGXJOQCRGBI-UHFFFAOYSA-N 1 1 376.460 4.128 20 0 GIADMO C[C@]1(c2ccccc2)CC(=O)N(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000186669100 822933613 /nfs/dbraw/zinc/93/36/13/822933613.db2.gz GCNSVTXYEYQALL-UUOWRZLLSA-N 1 1 389.499 4.155 20 0 GIADMO C[C@]1(c2ccccc2)CC(=O)N(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000186669100 822933616 /nfs/dbraw/zinc/93/36/16/822933616.db2.gz GCNSVTXYEYQALL-UUOWRZLLSA-N 1 1 389.499 4.155 20 0 GIADMO c1csc(-c2nn(-c3ccccc3)cc2CNC2CC[NH+](C3CC3)CC2)c1 ZINC000055043115 822933722 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NJZGZMJVUYTPPH-IIBYNOLFSA-N 1 1 390.487 4.011 20 0 GIADMO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000055105103 822938613 /nfs/dbraw/zinc/93/86/13/822938613.db2.gz BRRYJZOTXIMFFQ-OAHLLOKOSA-N 1 1 390.478 4.217 20 0 GIADMO C[C@H](OCc1ccccc1)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000569560828 822940050 /nfs/dbraw/zinc/94/00/50/822940050.db2.gz JNIKDLJQSLRRPW-SFHVURJKSA-N 1 1 387.483 4.188 20 0 GIADMO O=C(CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccccc1C(F)(F)F ZINC000186699031 822940161 /nfs/dbraw/zinc/94/01/61/822940161.db2.gz XHRQYXCGRDLAGA-FQEVSTJZSA-N 1 1 390.405 4.165 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)on1 ZINC000569610502 822944396 /nfs/dbraw/zinc/94/43/96/822944396.db2.gz KITZCMVCPZMSFU-OAQYLSRUSA-N 1 1 392.430 4.466 20 0 GIADMO CCc1nnc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)o1 ZINC000175361871 822946530 /nfs/dbraw/zinc/94/65/30/822946530.db2.gz IIEYNIKQYLWBJT-IBGZPJMESA-N 1 1 390.487 4.150 20 0 GIADMO 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380.275 4.473 20 0 GIADMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(/C=C/c3cc(Cl)cc(Cl)c3)n1)OC2 ZINC000569855520 822976391 /nfs/dbraw/zinc/97/63/91/822976391.db2.gz CMALGLUTPJLUER-AIWSSPEVSA-N 1 1 380.275 4.473 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC=C(c4cccnc4)C3)cs2)cc1 ZINC000569856818 822976606 /nfs/dbraw/zinc/97/66/06/822976606.db2.gz JXNGESVQJSXXIM-UHFFFAOYSA-N 1 1 391.496 4.281 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC=C(c4cccnc4)C3)cs2)cc1 ZINC000569856818 822976607 /nfs/dbraw/zinc/97/66/07/822976607.db2.gz JXNGESVQJSXXIM-UHFFFAOYSA-N 1 1 391.496 4.281 20 0 GIADMO Cc1cccc(N2CCC(NC(=O)N3CCC(c4ccsc4)CC3)CC2)[nH+]1 ZINC000186898714 822976738 /nfs/dbraw/zinc/97/67/38/822976738.db2.gz LTNJURLMOSWZRJ-UHFFFAOYSA-N 1 1 384.549 4.010 20 0 GIADMO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1ccc2c(c1)COC(C)(C)O2 ZINC000186911333 822978522 /nfs/dbraw/zinc/97/85/22/822978522.db2.gz RTYMGUAJUMFDQW-UHFFFAOYSA-N 1 1 382.504 4.084 20 0 GIADMO O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000175484738 822980249 /nfs/dbraw/zinc/98/02/49/822980249.db2.gz WFWGBARFECJGOI-UHFFFAOYSA-N 1 1 375.488 4.239 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186921759 822980300 /nfs/dbraw/zinc/98/03/00/822980300.db2.gz DHAXXMBXORZLCP-INIZCTEOSA-N 1 1 397.544 4.082 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186923304 822980685 /nfs/dbraw/zinc/98/06/85/822980685.db2.gz MQJXCUUHCMMZOX-INIZCTEOSA-N 1 1 381.451 4.006 20 0 GIADMO C(=C/[C@@H]1CCCCC[N@@H+]1Cc1cnc(N2CCOCC2)s1)\c1ccccc1 ZINC000569914153 822985092 /nfs/dbraw/zinc/98/50/92/822985092.db2.gz SMJAOBPQMNOXHC-CFGKVWFZSA-N 1 1 383.561 4.438 20 0 GIADMO CC(C)Cc1ccc([C@H]([NH2+]Cc2csc(CS(C)(=O)=O)n2)C(C)C)cc1 ZINC000175502658 822985107 /nfs/dbraw/zinc/98/51/07/822985107.db2.gz BYGZQIUJFRLVHX-HXUWFJFHSA-N 1 1 394.606 4.373 20 0 GIADMO C[C@@H]1C[C@H](Nc2ccc(F)c(N3CCCNC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000569916511 822985522 /nfs/dbraw/zinc/98/55/22/822985522.db2.gz MDVNNQXBYHPJIY-YLJYHZDGSA-N 1 1 396.510 4.210 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCc3c2cc(F)cc3F)[C@@H]1c1cccs1 ZINC000175505944 822985555 /nfs/dbraw/zinc/98/55/55/822985555.db2.gz WFBLYVZZVBEIBG-BFUOFWGJSA-N 1 1 391.487 4.182 20 0 GIADMO CN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@@H]1CCc2ccccc21 ZINC000175508397 822986333 /nfs/dbraw/zinc/98/63/33/822986333.db2.gz OMVANCYIOZUGFF-YFVAEKQCSA-N 1 1 383.561 4.460 20 0 GIADMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC(=O)N3C)CCN1Cc1ccccc1 ZINC000186961698 822987750 /nfs/dbraw/zinc/98/77/50/822987750.db2.gz ZYFMEYLYFTUYDT-WMZHIEFXSA-N 1 1 391.559 4.081 20 0 GIADMO C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000186961698 822987752 /nfs/dbraw/zinc/98/77/52/822987752.db2.gz ZYFMEYLYFTUYDT-WMZHIEFXSA-N 1 1 391.559 4.081 20 0 GIADMO C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000186961698 822987756 /nfs/dbraw/zinc/98/77/56/822987756.db2.gz ZYFMEYLYFTUYDT-WMZHIEFXSA-N 1 1 391.559 4.081 20 0 GIADMO C[N@H+]1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC12CCCCC2 ZINC000569937746 822987789 /nfs/dbraw/zinc/98/77/89/822987789.db2.gz NEEFWMCLRBVGIH-UHFFFAOYSA-N 1 1 393.531 4.368 20 0 GIADMO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCC[C@H]1CF ZINC000458370368 822988007 /nfs/dbraw/zinc/98/80/07/822988007.db2.gz UAGBMTYXUYAJRN-HNNXBMFYSA-N 1 1 388.314 4.101 20 0 GIADMO CCOc1cc(C)ccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000055618188 822988208 /nfs/dbraw/zinc/98/82/08/822988208.db2.gz QQBZAWIWKZBSBP-HDICACEKSA-N 1 1 382.504 4.255 20 0 GIADMO CCOc1cc(C)ccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000055618188 822988210 /nfs/dbraw/zinc/98/82/10/822988210.db2.gz QQBZAWIWKZBSBP-HDICACEKSA-N 1 1 382.504 4.255 20 0 GIADMO CN(CCc1cccs1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000175515486 822988491 /nfs/dbraw/zinc/98/84/91/822988491.db2.gz KPICEVXTPYOUES-CRAIPNDOSA-N 1 1 377.579 4.077 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000175519522 822989842 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1 389.540 4.131 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nc(C)cs1 ZINC000411512431 823582825 /nfs/dbraw/zinc/58/28/25/823582825.db2.gz LVMDIXACAAZPDC-LJQANCHMSA-N 1 1 383.517 4.314 20 0 GIADMO CC[C@@H]([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1c(C)noc1C ZINC000411522120 823584351 /nfs/dbraw/zinc/58/43/51/823584351.db2.gz ZYXWNCDIYAJJRW-HXUWFJFHSA-N 1 1 381.476 4.154 20 0 GIADMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3ccccc3F)n2)cc1 ZINC000411525849 823584676 /nfs/dbraw/zinc/58/46/76/823584676.db2.gz BOWUSTVBPDWUOX-CQSZACIVSA-N 1 1 382.439 4.118 20 0 GIADMO Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000411535015 823585754 /nfs/dbraw/zinc/58/57/54/823585754.db2.gz PONDZUXDWQMPHL-ZDUSSCGKSA-N 1 1 386.402 4.003 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1)c1nnnn1C1CC1 ZINC000190555275 823585775 /nfs/dbraw/zinc/58/57/75/823585775.db2.gz VUBUGGHAKWXFDS-LSDHHAIUSA-N 1 1 381.455 4.138 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1)Nc1cccc(F)c1 ZINC000124314312 823586391 /nfs/dbraw/zinc/58/63/91/823586391.db2.gz PSHOZCUMFBXRCJ-GOSISDBHSA-N 1 1 392.478 4.408 20 0 GIADMO CC(C)([NH2+]CCC(=O)Nc1ccccc1F)c1nc(C(F)(F)F)cs1 ZINC000411539837 823586501 /nfs/dbraw/zinc/58/65/01/823586501.db2.gz MIHYYTMTILZYNI-UHFFFAOYSA-N 1 1 375.391 4.155 20 0 GIADMO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190569922 823587355 /nfs/dbraw/zinc/58/73/55/823587355.db2.gz ARKFEBKKZCYGSN-MRXNPFEDSA-N 1 1 393.462 4.244 20 0 GIADMO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190569911 823587373 /nfs/dbraw/zinc/58/73/73/823587373.db2.gz ARKFEBKKZCYGSN-INIZCTEOSA-N 1 1 393.462 4.244 20 0 GIADMO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000061285171 823589325 /nfs/dbraw/zinc/58/93/25/823589325.db2.gz VBVNKVYKTACXPP-UHFFFAOYSA-N 1 1 393.314 4.220 20 0 GIADMO O=c1[nH]c(CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)nc2ccccc21 ZINC000411610030 823590396 /nfs/dbraw/zinc/59/03/96/823590396.db2.gz XOIBASQITKZYDF-NRFANRHFSA-N 1 1 399.498 4.495 20 0 GIADMO O=c1[nH]c(CC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)nc2ccccc21 ZINC000411610030 823590399 /nfs/dbraw/zinc/59/03/99/823590399.db2.gz XOIBASQITKZYDF-NRFANRHFSA-N 1 1 399.498 4.495 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000124366880 823590591 /nfs/dbraw/zinc/59/05/91/823590591.db2.gz CTVKPLQDQROTMG-QGZVFWFLSA-N 1 1 399.560 4.098 20 0 GIADMO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000411618889 823591233 /nfs/dbraw/zinc/59/12/33/823591233.db2.gz JMESVUAJMHTTJR-JOCHJYFZSA-N 1 1 397.544 4.437 20 0 GIADMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000411618889 823591237 /nfs/dbraw/zinc/59/12/37/823591237.db2.gz JMESVUAJMHTTJR-JOCHJYFZSA-N 1 1 397.544 4.437 20 0 GIADMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1NC(=O)CC(C)C ZINC000124375694 823591453 /nfs/dbraw/zinc/59/14/53/823591453.db2.gz BBQXGMLDNQVYCZ-IBGZPJMESA-N 1 1 387.568 4.077 20 0 GIADMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000411621876 823591583 /nfs/dbraw/zinc/59/15/83/823591583.db2.gz SCYXAMJMWBPLGY-CYBMUJFWSA-N 1 1 393.247 4.441 20 0 GIADMO Cc1cnn(-c2cc[nH+]cc2NC(=O)Cc2csc(-c3cccc(F)c3)n2)c1 ZINC000124381960 823592044 /nfs/dbraw/zinc/59/20/44/823592044.db2.gz HGSIAAZBJNWUGO-UHFFFAOYSA-N 1 1 393.447 4.020 20 0 GIADMO CCC(CC)n1nccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000124412349 823594709 /nfs/dbraw/zinc/59/47/09/823594709.db2.gz FWIKYFQIIYQDMU-RBBKRZOGSA-N 1 1 394.563 4.371 20 0 GIADMO CCCCN(C)Cn1nc(C[NH+]2CCCCC2)n(Cc2ccccc2)c1=S ZINC000124425823 823595726 /nfs/dbraw/zinc/59/57/26/823595726.db2.gz SSJBMSLCMREWGS-UHFFFAOYSA-N 1 1 387.597 4.138 20 0 GIADMO CCOC(=O)[C@@H](CC)[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000190673022 823597329 /nfs/dbraw/zinc/59/73/29/823597329.db2.gz SVTXLXXSZIKULE-OAHLLOKOSA-N 1 1 387.307 4.128 20 0 GIADMO CCOC(=O)[C@@H](CC)[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000190673022 823597335 /nfs/dbraw/zinc/59/73/35/823597335.db2.gz SVTXLXXSZIKULE-OAHLLOKOSA-N 1 1 387.307 4.128 20 0 GIADMO C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCS1 ZINC000190688054 823598436 /nfs/dbraw/zinc/59/84/36/823598436.db2.gz UKJFRTWEMQYWHM-GOSISDBHSA-N 1 1 378.545 4.321 20 0 GIADMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CCCn1ccnc1 ZINC000124465468 823598910 /nfs/dbraw/zinc/59/89/10/823598910.db2.gz VYZFEWNYSMRAFE-ZDUSSCGKSA-N 1 1 379.386 4.035 20 0 GIADMO O=C(CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1)N[C@H](c1cccs1)c1ccccc1 ZINC000411715416 823599155 /nfs/dbraw/zinc/59/91/55/823599155.db2.gz BRLYZZJFMQXHTQ-KNQAVFIVSA-N 1 1 394.544 4.294 20 0 GIADMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OCCC(C)C ZINC000124472108 823599606 /nfs/dbraw/zinc/59/96/06/823599606.db2.gz GUIKRWOSBUTNGI-WBVHZDCISA-N 1 1 396.959 4.328 20 0 GIADMO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000190700478 823599660 /nfs/dbraw/zinc/59/96/60/823599660.db2.gz VWDWXGMBGQEQTF-OAHLLOKOSA-N 1 1 394.364 4.052 20 0 GIADMO O=C(CC[N@H+]1CCC=C(c2cccnc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000411731721 823600741 /nfs/dbraw/zinc/60/07/41/823600741.db2.gz LWFOHECMOGTQLI-UHFFFAOYSA-N 1 1 375.394 4.218 20 0 GIADMO C[NH+](C)[C@H](C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000461230865 823601787 /nfs/dbraw/zinc/60/17/87/823601787.db2.gz FFWXZNHEBSUVEW-SFHVURJKSA-N 1 1 388.393 4.133 20 0 GIADMO OC[C@@H]1C[N@@H+](Cc2ccc(-c3ncco3)cc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000411751794 823602368 /nfs/dbraw/zinc/60/23/68/823602368.db2.gz SQONGMWOGWYJDB-HKUYNNGSSA-N 1 1 386.854 4.342 20 0 GIADMO CC1(C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c2ccccc2O1 ZINC000411759578 823602980 /nfs/dbraw/zinc/60/29/80/823602980.db2.gz PYZROLZMXVFPBP-PXNSSMCTSA-N 1 1 398.572 4.421 20 0 GIADMO COCC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCSC1 ZINC000411758568 823602990 /nfs/dbraw/zinc/60/29/90/823602990.db2.gz OIIYNLVJKRUNSH-ZDUSSCGKSA-N 1 1 391.364 4.166 20 0 GIADMO CC(C)[C@H](C(=O)Oc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)[NH+]1CCCCC1 ZINC000124522261 823603244 /nfs/dbraw/zinc/60/32/44/823603244.db2.gz IDXIJHVKISOJFU-RBUKOAKNSA-N 1 1 399.491 4.004 20 0 GIADMO CC1CC[NH+]([C@H](CNCc2cnn(-c3ccccc3)c2)c2cccs2)CC1 ZINC000061555800 823603646 /nfs/dbraw/zinc/60/36/46/823603646.db2.gz QDVWUOLHUPNFOM-OAQYLSRUSA-N 1 1 380.561 4.497 20 0 GIADMO Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124548128 823605426 /nfs/dbraw/zinc/60/54/26/823605426.db2.gz LRAQYEMCNQWQRQ-SFTDATJTSA-N 1 1 397.563 4.150 20 0 GIADMO COc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(OC(F)F)c1 ZINC000124573584 823607659 /nfs/dbraw/zinc/60/76/59/823607659.db2.gz GLXZKDVUTYQASE-FQEVSTJZSA-N 1 1 377.431 4.242 20 0 GIADMO Cc1cccc(COc2cccc(CC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)c1 ZINC000124574990 823607786 /nfs/dbraw/zinc/60/77/86/823607786.db2.gz CPUWBFNCZWPZHG-DENIHFKCSA-N 1 1 380.532 4.058 20 0 GIADMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124578421 823607970 /nfs/dbraw/zinc/60/79/70/823607970.db2.gz XZOVCNXKIRCUKX-FHWLQOOXSA-N 1 1 395.547 4.105 20 0 GIADMO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000411820777 823608441 /nfs/dbraw/zinc/60/84/41/823608441.db2.gz SAXNUZZFOQHTHG-INIZCTEOSA-N 1 1 395.528 4.104 20 0 GIADMO CC(C)OCCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190783505 823608630 /nfs/dbraw/zinc/60/86/30/823608630.db2.gz WJJSPYFPRBMIAE-MRXNPFEDSA-N 1 1 394.313 4.451 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)COC(c1ccccc1)c1ccccc1 ZINC000461271591 823609890 /nfs/dbraw/zinc/60/98/90/823609890.db2.gz MDCODYKPZUDPFC-QFIPXVFZSA-N 1 1 380.532 4.125 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccccc1SCc1cscn1 ZINC000461272321 823610010 /nfs/dbraw/zinc/61/00/10/823610010.db2.gz PHRGIHGZXCJKCD-QGZVFWFLSA-N 1 1 389.590 4.382 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000061735409 823610179 /nfs/dbraw/zinc/61/01/79/823610179.db2.gz DRQOUXJBKJXEAB-MRXNPFEDSA-N 1 1 387.474 4.339 20 0 GIADMO COc1cc(-c2nc(C[N@H+]3CCSC4(CCC4)CC3)cs2)ccc1O ZINC000411873169 823611651 /nfs/dbraw/zinc/61/16/51/823611651.db2.gz XMOVCTZUNNWLHK-UHFFFAOYSA-N 1 1 376.547 4.386 20 0 GIADMO Cc1[nH+]ccn1CCCCSc1nnc(COc2ccccc2Cl)n1C ZINC000124618052 823611669 /nfs/dbraw/zinc/61/16/69/823611669.db2.gz XQIRHFDPQIHJEM-UHFFFAOYSA-N 1 1 391.928 4.125 20 0 GIADMO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190822526 823613202 /nfs/dbraw/zinc/61/32/02/823613202.db2.gz AMFQGKCZJCBWCT-MSOLQXFVSA-N 1 1 382.552 4.352 20 0 GIADMO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000411891649 823613302 /nfs/dbraw/zinc/61/33/02/823613302.db2.gz KDVIQZSLDZMUSJ-QAPCUYQASA-N 1 1 390.270 4.445 20 0 GIADMO CN(CCCOc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061789920 823614471 /nfs/dbraw/zinc/61/44/71/823614471.db2.gz TUORLSYCAFNLOX-UHFFFAOYSA-N 1 1 399.560 4.168 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC[C@H]1Cc1ccccc1 ZINC000061789482 823614537 /nfs/dbraw/zinc/61/45/37/823614537.db2.gz VQAGXOJUGWYVNR-NRFANRHFSA-N 1 1 395.572 4.474 20 0 GIADMO COc1cccc(-c2nc(C[N@@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)c1OC ZINC000411952949 823616141 /nfs/dbraw/zinc/61/61/41/823616141.db2.gz UANLXMUAQJXSBF-MJGOQNOKSA-N 1 1 396.512 4.135 20 0 GIADMO COc1cccc(-c2nc(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)cs2)c1OC ZINC000411952949 823616142 /nfs/dbraw/zinc/61/61/42/823616142.db2.gz UANLXMUAQJXSBF-MJGOQNOKSA-N 1 1 396.512 4.135 20 0 GIADMO O=C(CC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000411956064 823616586 /nfs/dbraw/zinc/61/65/86/823616586.db2.gz VVPPCEMCTQLHDQ-QAPCUYQASA-N 1 1 379.287 4.130 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C)o3)n2Cc2cccs2)C[C@H]1C ZINC000461318700 823617123 /nfs/dbraw/zinc/61/71/23/823617123.db2.gz NUBGKTDLGZFFOS-WBVHZDCISA-N 1 1 399.564 4.265 20 0 GIADMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000124686497 823617493 /nfs/dbraw/zinc/61/74/93/823617493.db2.gz LGUFGWCALQOPQF-FQEVSTJZSA-N 1 1 393.487 4.440 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1sc(C)nc1C)C(C)C ZINC000411979816 823617659 /nfs/dbraw/zinc/61/76/59/823617659.db2.gz GDJNAYOBGNPNCD-INIZCTEOSA-N 1 1 380.579 4.132 20 0 GIADMO CCN(C(=O)[C@@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000411982105 823617807 /nfs/dbraw/zinc/61/78/07/823617807.db2.gz BZWVJGKPPPTRAV-KNQAVFIVSA-N 1 1 384.564 4.410 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(C)c1 ZINC000411994845 823619122 /nfs/dbraw/zinc/61/91/22/823619122.db2.gz BHCHDJAIVWLALQ-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(C)c1 ZINC000411994845 823619124 /nfs/dbraw/zinc/61/91/24/823619124.db2.gz BHCHDJAIVWLALQ-KNQAVFIVSA-N 1 1 378.516 4.484 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)N(Cc1ccccc1)C1CC1 ZINC000411995212 823619250 /nfs/dbraw/zinc/61/92/50/823619250.db2.gz CIUSWCQYYDSUTC-XMMPIXPASA-N 1 1 390.527 4.031 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)N(Cc1ccccc1)C1CC1 ZINC000411995212 823619253 /nfs/dbraw/zinc/61/92/53/823619253.db2.gz CIUSWCQYYDSUTC-XMMPIXPASA-N 1 1 390.527 4.031 20 0 GIADMO CC(C)CNC(=O)c1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000411997428 823619982 /nfs/dbraw/zinc/61/99/82/823619982.db2.gz IRJHPJQQJZUYKB-QHCPKHFHSA-N 1 1 392.543 4.426 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1oc(CC(C)C)nc1C ZINC000190892185 823620569 /nfs/dbraw/zinc/62/05/69/823620569.db2.gz TUOUZLNMNFQVJQ-IBGZPJMESA-N 1 1 399.535 4.014 20 0 GIADMO C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000412002321 823620601 /nfs/dbraw/zinc/62/06/01/823620601.db2.gz SYISYWDTZUQXIX-ZRCGQRJVSA-N 1 1 392.543 4.149 20 0 GIADMO C[C@H](CNC(=O)[C@H](C)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)c1ccccc1 ZINC000412002321 823620603 /nfs/dbraw/zinc/62/06/03/823620603.db2.gz SYISYWDTZUQXIX-ZRCGQRJVSA-N 1 1 392.543 4.149 20 0 GIADMO O=C(C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000412001802 823620650 /nfs/dbraw/zinc/62/06/50/823620650.db2.gz REGZUCCVILZVLV-LADGPHEKSA-N 1 1 390.527 4.034 20 0 GIADMO O=C(C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000412001802 823620651 /nfs/dbraw/zinc/62/06/51/823620651.db2.gz REGZUCCVILZVLV-LADGPHEKSA-N 1 1 390.527 4.034 20 0 GIADMO OCC1([C@H]([NH2+]Cc2coc(-c3cccs3)n2)c2ccccc2)CCOCC1 ZINC000412004490 823621024 /nfs/dbraw/zinc/62/10/24/823621024.db2.gz COQQMSAAIIITTF-LJQANCHMSA-N 1 1 384.501 4.023 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)c2ccccc2)CCOCC1 ZINC000412004392 823621095 /nfs/dbraw/zinc/62/10/95/823621095.db2.gz CLHPRQHURUIIAI-NRFANRHFSA-N 1 1 394.540 4.430 20 0 GIADMO C[C@H](CNC(=O)NCc1csc2ccccc12)[N@H+]1CCc2ccccc2C1 ZINC000061993010 823621280 /nfs/dbraw/zinc/62/12/80/823621280.db2.gz OZXVTMUBHIWYCH-MRXNPFEDSA-N 1 1 379.529 4.147 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2nccn2CC(F)(F)F)c2ccccc2)CCCCC1 ZINC000412004740 823621313 /nfs/dbraw/zinc/62/13/13/823621313.db2.gz DLPOTVNGVOIYNN-SFHVURJKSA-N 1 1 381.442 4.219 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000412006842 823621747 /nfs/dbraw/zinc/62/17/47/823621747.db2.gz HXILXGLHXDDAGZ-FGZHOGPDSA-N 1 1 379.504 4.242 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2csc(C3CCCC3)n2)c2ccccc2)CCOCC1 ZINC000412007348 823621887 /nfs/dbraw/zinc/62/18/87/823621887.db2.gz FKXUNCCGCBWYRF-FQEVSTJZSA-N 1 1 386.561 4.421 20 0 GIADMO OCC1([C@@H]([NH2+]Cc2nncn2-c2ccccc2)c2ccccc2)CCCCC1 ZINC000412008813 823621972 /nfs/dbraw/zinc/62/19/72/823621972.db2.gz MJXKQNYKISYDBB-QFIPXVFZSA-N 1 1 376.504 4.041 20 0 GIADMO COC1([C@@H](C)[NH2+]Cc2csc(N(C(C)=O)c3ccc(C)cc3C)n2)CCC1 ZINC000412017231 823622986 /nfs/dbraw/zinc/62/29/86/823622986.db2.gz CPWJJPWUTMMFMX-MRXNPFEDSA-N 1 1 387.549 4.492 20 0 GIADMO CCC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C[C@@H]1CCCCO1 ZINC000461364555 823623356 /nfs/dbraw/zinc/62/33/56/823623356.db2.gz VQWFSVLSAKAWJM-INIZCTEOSA-N 1 1 375.538 4.458 20 0 GIADMO CCC[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)C[C@@H]1CCCCO1 ZINC000461364555 823623358 /nfs/dbraw/zinc/62/33/58/823623358.db2.gz VQWFSVLSAKAWJM-INIZCTEOSA-N 1 1 375.538 4.458 20 0 GIADMO CC[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412055782 823624567 /nfs/dbraw/zinc/62/45/67/823624567.db2.gz MNJMMCCAHYRGSW-QZTJIDSGSA-N 1 1 379.342 4.377 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC000412055957 823624599 /nfs/dbraw/zinc/62/45/99/823624599.db2.gz NBUCCAROBRCLKI-OAHLLOKOSA-N 1 1 385.733 4.079 20 0 GIADMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2Cl)CC1 ZINC000412055957 823624600 /nfs/dbraw/zinc/62/46/00/823624600.db2.gz NBUCCAROBRCLKI-OAHLLOKOSA-N 1 1 385.733 4.079 20 0 GIADMO O=C(CCCOc1cccc(F)c1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062229674 823625118 /nfs/dbraw/zinc/62/51/18/823625118.db2.gz XZGJVJNVXTVLAT-HXUWFJFHSA-N 1 1 384.495 4.013 20 0 GIADMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000412064229 823625364 /nfs/dbraw/zinc/62/53/64/823625364.db2.gz JTMUTQWSIQYPEC-GOSISDBHSA-N 1 1 394.600 4.105 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCCCOc1cc(C)ccc1C ZINC000062264953 823627030 /nfs/dbraw/zinc/62/70/30/823627030.db2.gz PCACVGHQTPZYIM-UHFFFAOYSA-N 1 1 378.476 4.380 20 0 GIADMO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000412118561 823627632 /nfs/dbraw/zinc/62/76/32/823627632.db2.gz DSJNRCHTXZPKPM-RBQRNVLBSA-N 1 1 378.516 4.007 20 0 GIADMO CN(CC[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccccc1 ZINC000461386447 823627679 /nfs/dbraw/zinc/62/76/79/823627679.db2.gz LMHNKVIZIMIDTN-UHFFFAOYSA-N 1 1 382.533 4.245 20 0 GIADMO CN(CC[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccccc1 ZINC000461386447 823627680 /nfs/dbraw/zinc/62/76/80/823627680.db2.gz LMHNKVIZIMIDTN-UHFFFAOYSA-N 1 1 382.533 4.245 20 0 GIADMO Cc1c2cc(F)ccc2oc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000062291194 823627701 /nfs/dbraw/zinc/62/77/01/823627701.db2.gz WSNAYKBLKWJRSQ-HNNXBMFYSA-N 1 1 396.462 4.031 20 0 GIADMO Cc1c2cc(F)ccc2oc1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000062291194 823627704 /nfs/dbraw/zinc/62/77/04/823627704.db2.gz WSNAYKBLKWJRSQ-HNNXBMFYSA-N 1 1 396.462 4.031 20 0 GIADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)C1 ZINC000412136341 823629198 /nfs/dbraw/zinc/62/91/98/823629198.db2.gz ZNVJTTWVQLWGDQ-DNVFCKCGSA-N 1 1 384.564 4.389 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC[N@H+]1C ZINC000124834240 823629699 /nfs/dbraw/zinc/62/96/99/823629699.db2.gz XABIKINVFLWLKP-JGVFFNPUSA-N 1 1 385.122 4.250 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000412146229 823630134 /nfs/dbraw/zinc/63/01/34/823630134.db2.gz FHRRNFWEWYGQGG-GBXCKJPGSA-N 1 1 392.543 4.256 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000412159473 823631663 /nfs/dbraw/zinc/63/16/63/823631663.db2.gz RNLZITQIEGGSAV-RBBKRZOGSA-N 1 1 392.543 4.312 20 0 GIADMO Cc1ccc(CCCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461421465 823632908 /nfs/dbraw/zinc/63/29/08/823632908.db2.gz COWHWOYTQAJGML-LEWJYISDSA-N 1 1 382.573 4.360 20 0 GIADMO CC(C)(C)c1ncc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000461427534 823634483 /nfs/dbraw/zinc/63/44/83/823634483.db2.gz LTZWIWBTZBUZRD-MSOLQXFVSA-N 1 1 383.561 4.035 20 0 GIADMO COCCN(C)c1ccc(C[NH2+][C@H](c2ccccc2)c2ccccc2OC)cn1 ZINC000190986148 823634823 /nfs/dbraw/zinc/63/48/23/823634823.db2.gz NDQIMLOWZAOZIQ-XMMPIXPASA-N 1 1 391.515 4.052 20 0 GIADMO Cc1cc(CNC[C@@H](C)[NH+]2CCC(C)CC2)cc(C)c1OCc1ccccn1 ZINC000062423460 823634950 /nfs/dbraw/zinc/63/49/50/823634950.db2.gz FCKQFSQYNNFACZ-OAQYLSRUSA-N 1 1 381.564 4.487 20 0 GIADMO Cc1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc2ccccc12 ZINC000461429882 823635122 /nfs/dbraw/zinc/63/51/22/823635122.db2.gz PDLXNLDDKIVXQK-RTWAWAEBSA-N 1 1 385.511 4.137 20 0 GIADMO C[C@H](OC1CCCCCC1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461429945 823635322 /nfs/dbraw/zinc/63/53/22/823635322.db2.gz PPGUACJQRNENCE-NNWRFLSQSA-N 1 1 384.564 4.095 20 0 GIADMO O=C(c1cc(F)c(F)cc1Cl)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461431360 823635761 /nfs/dbraw/zinc/63/57/61/823635761.db2.gz RSABODAHEMCWCE-HZPDHXFCSA-N 1 1 390.861 4.212 20 0 GIADMO CCc1cccc2c(C(=O)[C@@H]([NH2+]C[C@]3(OC)CCOC3)c3ccccc3)c[nH]c21 ZINC000461434198 823636467 /nfs/dbraw/zinc/63/64/67/823636467.db2.gz FLJVFHASFRZLOI-LADGPHEKSA-N 1 1 392.499 4.049 20 0 GIADMO O=C(CCc1ccccc1Cl)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461435770 823636932 /nfs/dbraw/zinc/63/69/32/823636932.db2.gz ZROCJVFCZGHPMA-RTWAWAEBSA-N 1 1 382.935 4.253 20 0 GIADMO O=C(CCc1ccccc1Cl)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461435769 823637043 /nfs/dbraw/zinc/63/70/43/823637043.db2.gz ZROCJVFCZGHPMA-NHCUHLMSSA-N 1 1 382.935 4.253 20 0 GIADMO O=C(Cc1ccc(Cl)c(F)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461436655 823637236 /nfs/dbraw/zinc/63/72/36/823637236.db2.gz PVGJLIMTXZVFNU-OALUTQOASA-N 1 1 386.898 4.002 20 0 GIADMO O=C(c1ccccc1C(F)(F)F)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461437831 823637418 /nfs/dbraw/zinc/63/74/18/823637418.db2.gz VSDUQLSRRBTBQM-ZWKOTPCHSA-N 1 1 388.433 4.300 20 0 GIADMO C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1F ZINC000124935619 823638547 /nfs/dbraw/zinc/63/85/47/823638547.db2.gz RHCMGQYFZAACJD-MJGOQNOKSA-N 1 1 386.486 4.139 20 0 GIADMO C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1F ZINC000124935437 823638577 /nfs/dbraw/zinc/63/85/77/823638577.db2.gz RHCMGQYFZAACJD-HKUYNNGSSA-N 1 1 386.486 4.139 20 0 GIADMO O=C(CCc1ccc(Cl)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443262 823638670 /nfs/dbraw/zinc/63/86/70/823638670.db2.gz NESFGNHMOQMTRG-LEWJYISDSA-N 1 1 382.935 4.253 20 0 GIADMO C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1c(F)cccc1F ZINC000461444521 823638813 /nfs/dbraw/zinc/63/88/13/823638813.db2.gz IYLINSRBPYHHKJ-UHOSZYNNSA-N 1 1 384.470 4.049 20 0 GIADMO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461447271 823639448 /nfs/dbraw/zinc/63/94/48/823639448.db2.gz FRBAJPGATFGGFM-OIBXWCBGSA-N 1 1 394.534 4.375 20 0 GIADMO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412251237 823639911 /nfs/dbraw/zinc/63/99/11/823639911.db2.gz NEIRGAPONWTWEI-JJJJLYANSA-N 1 1 382.935 4.470 20 0 GIADMO CC(C)(C)[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000191031470 823640083 /nfs/dbraw/zinc/64/00/83/823640083.db2.gz FDNUTODSKXHKCS-ZDUSSCGKSA-N 1 1 395.351 4.131 20 0 GIADMO O=C(N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1(Cc2ccccc2)CCC1 ZINC000461451375 823640280 /nfs/dbraw/zinc/64/02/80/823640280.db2.gz RWWVZYXUPJBIGA-RPWUZVMVSA-N 1 1 388.555 4.380 20 0 GIADMO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1(Cc2ccccc2)CCC1 ZINC000461451376 823640308 /nfs/dbraw/zinc/64/03/08/823640308.db2.gz RWWVZYXUPJBIGA-ZEQRLZLVSA-N 1 1 388.555 4.380 20 0 GIADMO C[C@H](NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000412256416 823640324 /nfs/dbraw/zinc/64/03/24/823640324.db2.gz QXYICULVFRSXEB-KUWBRRTOSA-N 1 1 392.543 4.303 20 0 GIADMO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1(Cc2ccccc2)CCC1 ZINC000461451373 823640390 /nfs/dbraw/zinc/64/03/90/823640390.db2.gz RWWVZYXUPJBIGA-BJKOFHAPSA-N 1 1 388.555 4.380 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCOc3c(C)cccc32)cc1 ZINC000191033645 823640457 /nfs/dbraw/zinc/64/04/57/823640457.db2.gz YGAKYEUDWGHAOQ-HRAATJIYSA-N 1 1 390.487 4.373 20 0 GIADMO C[C@H](SCc1ccccc1)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461452570 823640515 /nfs/dbraw/zinc/64/05/15/823640515.db2.gz VOTSZHZXVYZRQG-WWPVKYPJSA-N 1 1 394.584 4.289 20 0 GIADMO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461453270 823640657 /nfs/dbraw/zinc/64/06/57/823640657.db2.gz ZKPAISRMJCCWGR-RTBURBONSA-N 1 1 393.918 4.415 20 0 GIADMO Cc1cc2[nH]c(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cc2c(C)c1 ZINC000461453445 823640931 /nfs/dbraw/zinc/64/09/31/823640931.db2.gz XTLUMKXZCDAKSD-RTWAWAEBSA-N 1 1 387.527 4.379 20 0 GIADMO CC(C)COc1ccccc1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000062646825 823643167 /nfs/dbraw/zinc/64/31/67/823643167.db2.gz LAQFUOSNKDOEAL-IBGZPJMESA-N 1 1 375.557 4.175 20 0 GIADMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(C)oc3C)n2Cc2cccs2)C[C@H]1C ZINC000461477700 823644661 /nfs/dbraw/zinc/64/46/61/823644661.db2.gz GZJDAGXTKBQWDS-HUUCEWRRSA-N 1 1 399.564 4.184 20 0 GIADMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(C)oc3C)n2Cc2cccs2)C[C@@H]1C ZINC000461477699 823644703 /nfs/dbraw/zinc/64/47/03/823644703.db2.gz GZJDAGXTKBQWDS-GJZGRUSLSA-N 1 1 399.564 4.184 20 0 GIADMO C[N@@H+](CCNC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC1 ZINC000063117673 823652043 /nfs/dbraw/zinc/65/20/43/823652043.db2.gz AQYHUGRAMOIQHX-OAQYLSRUSA-N 1 1 388.964 4.373 20 0 GIADMO Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000125131553 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NVBQJDVUTOVFEV-UHFFFAOYSA-N 1 1 391.515 4.095 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000191224054 823660783 /nfs/dbraw/zinc/66/07/83/823660783.db2.gz YFBGKSFRLNMZGD-OTWHNJEPSA-N 1 1 384.568 4.232 20 0 GIADMO CC[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000125236232 823661213 /nfs/dbraw/zinc/66/12/13/823661213.db2.gz JPTPRALFKBHWAR-RBUKOAKNSA-N 1 1 393.531 4.190 20 0 GIADMO FC(F)(F)c1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000125249929 823662256 /nfs/dbraw/zinc/66/22/56/823662256.db2.gz BJSPQDNVVXLPDL-MRXNPFEDSA-N 1 1 378.442 4.403 20 0 GIADMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125252710 823662709 /nfs/dbraw/zinc/66/27/09/823662709.db2.gz GCEPRNRBUDUOPV-ZDUSSCGKSA-N 1 1 394.903 4.298 20 0 GIADMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125252710 823662710 /nfs/dbraw/zinc/66/27/10/823662710.db2.gz GCEPRNRBUDUOPV-ZDUSSCGKSA-N 1 1 394.903 4.298 20 0 GIADMO O=C(OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)c1csc(C2CC2)n1 ZINC000125260447 823663026 /nfs/dbraw/zinc/66/30/26/823663026.db2.gz DFDQRHOCCBQKQR-ZDUSSCGKSA-N 1 1 392.471 4.368 20 0 GIADMO CCN1CCC([N@H+](C)Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000125261334 823663206 /nfs/dbraw/zinc/66/32/06/823663206.db2.gz LRJMRGJQBUNFJA-UHFFFAOYSA-N 1 1 398.547 4.199 20 0 GIADMO CCN1CCC([N@@H+](C)Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000125261334 823663208 /nfs/dbraw/zinc/66/32/08/823663208.db2.gz LRJMRGJQBUNFJA-UHFFFAOYSA-N 1 1 398.547 4.199 20 0 GIADMO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191249134 823663360 /nfs/dbraw/zinc/66/33/60/823663360.db2.gz PBLUHSZGGYDVLT-UHFFFAOYSA-N 1 1 398.265 4.084 20 0 GIADMO COc1ccccc1NC(=O)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191250812 823663383 /nfs/dbraw/zinc/66/33/83/823663383.db2.gz TZYXTBDBTVUXCT-UHFFFAOYSA-N 1 1 392.858 4.044 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3(c4ccc(F)cc4)CCC3)cc2)C[C@H](C)O1 ZINC000063338573 823664482 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4.175 20 0 GIADMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000125331788 823668565 /nfs/dbraw/zinc/66/85/65/823668565.db2.gz MBAAJOKALGQUOI-JOCHJYFZSA-N 1 1 375.472 4.369 20 0 GIADMO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(OCc2ccccc2)cc1 ZINC000125331788 823668568 /nfs/dbraw/zinc/66/85/68/823668568.db2.gz MBAAJOKALGQUOI-JOCHJYFZSA-N 1 1 375.472 4.369 20 0 GIADMO FC(F)(F)c1nnc(N2CCC[N@H+]([C@H]3CCCc4ccccc43)CC2)s1 ZINC000191306714 823669726 /nfs/dbraw/zinc/66/97/26/823669726.db2.gz ADEDNJXJEOEZDM-HNNXBMFYSA-N 1 1 382.455 4.147 20 0 GIADMO C[C@@H](NC(=O)CSc1ccc2ccccc2c1)C1([NH+]2CCOCC2)CCCC1 ZINC000461608683 823670124 /nfs/dbraw/zinc/67/01/24/823670124.db2.gz KFIFXWAYLOELCM-GOSISDBHSA-N 1 1 398.572 4.082 20 0 GIADMO COc1cccc(NC(=O)C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000063470987 823674293 /nfs/dbraw/zinc/67/42/93/823674293.db2.gz FISNDQZWLBVLBL-UHFFFAOYSA-N 1 1 382.410 4.291 20 0 GIADMO C[C@H](NC(=O)C[N@H+](CCc1ccccc1)Cc1cccnc1)c1cccs1 ZINC000191345649 823674554 /nfs/dbraw/zinc/67/45/54/823674554.db2.gz DTEHLBFYLGXQDT-SFHVURJKSA-N 1 1 379.529 4.065 20 0 GIADMO C[C@H](NC(=O)C[N@@H+](CCc1ccccc1)Cc1cccnc1)c1cccs1 ZINC000191345649 823674556 /nfs/dbraw/zinc/67/45/56/823674556.db2.gz DTEHLBFYLGXQDT-SFHVURJKSA-N 1 1 379.529 4.065 20 0 GIADMO CCOc1cc(C[N@H+](C)[C@@H](C)c2ccc(C(=O)OC)o2)ccc1OC(F)F ZINC000125420123 823674812 /nfs/dbraw/zinc/67/48/12/823674812.db2.gz HDYFCJVVCKBBHR-LBPRGKRZSA-N 1 1 383.391 4.259 20 0 GIADMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2ccc(C(=O)OC)o2)ccc1OC(F)F ZINC000125420123 823674815 /nfs/dbraw/zinc/67/48/15/823674815.db2.gz HDYFCJVVCKBBHR-LBPRGKRZSA-N 1 1 383.391 4.259 20 0 GIADMO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000191349291 823675085 /nfs/dbraw/zinc/67/50/85/823675085.db2.gz AFUOYZGBXJOFLQ-JOCHJYFZSA-N 1 1 381.907 4.471 20 0 GIADMO Cc1c2cc(F)ccc2oc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000125425278 823675153 /nfs/dbraw/zinc/67/51/53/823675153.db2.gz FPIKMYIBHULORI-HNAYVOBHSA-N 1 1 385.483 4.039 20 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823677576 /nfs/dbraw/zinc/67/75/76/823677576.db2.gz KYEGOBOOVDGESM-OAQYLSRUSA-N 1 1 399.531 4.278 20 0 GIADMO COc1cccc(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2SC)c1 ZINC000063549458 823678932 /nfs/dbraw/zinc/67/89/32/823678932.db2.gz QGDDBTBCHYJOEM-SFHVURJKSA-N 1 1 384.545 4.453 20 0 GIADMO CCOc1ccc(NC(=O)C[NH2+]Cc2ccccc2OCc2ccccc2)cc1 ZINC000063559574 823679382 /nfs/dbraw/zinc/67/93/82/823679382.db2.gz KADAVYNTRVYOQD-UHFFFAOYSA-N 1 1 390.483 4.393 20 0 GIADMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1 ZINC000125531339 823682958 /nfs/dbraw/zinc/68/29/58/823682958.db2.gz POEJLNLMGTZJBE-GOSISDBHSA-N 1 1 381.520 4.140 20 0 GIADMO CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccncc3)cc(=O)oc2c1 ZINC000125547364 823684276 /nfs/dbraw/zinc/68/42/76/823684276.db2.gz GUWWDNBRZBEMMR-LJQANCHMSA-N 1 1 393.443 4.094 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)c1cccc(O)c1 ZINC000191437831 823685245 /nfs/dbraw/zinc/68/52/45/823685245.db2.gz CKTBXIFRDLGQHC-XQQFMLRXSA-N 1 1 383.517 4.227 20 0 GIADMO FC(F)(F)c1cccc(NC(=S)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000063675648 823688483 /nfs/dbraw/zinc/68/84/83/823688483.db2.gz JZVKFHMWYKXGHR-UHFFFAOYSA-N 1 1 399.507 4.324 20 0 GIADMO COc1ccc(NC(=O)C[NH+]2CCC(OC3CCCCC3)CC2)cc1Cl ZINC000125596769 823688588 /nfs/dbraw/zinc/68/85/88/823688588.db2.gz PWMMSAWEMXQXAG-UHFFFAOYSA-N 1 1 380.916 4.101 20 0 GIADMO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000063693755 823689826 /nfs/dbraw/zinc/68/98/26/823689826.db2.gz CYWQRGGXCJWORA-HXUWFJFHSA-N 1 1 392.543 4.385 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125612722 823689978 /nfs/dbraw/zinc/68/99/78/823689978.db2.gz HQRMUOSNNHJYIT-HNNXBMFYSA-N 1 1 394.943 4.489 20 0 GIADMO C[N@@H+](Cc1cc(Br)ccc1F)Cn1cnc2cc(F)c(F)cc21 ZINC000063729481 823692351 /nfs/dbraw/zinc/69/23/51/823692351.db2.gz GMUCDSAUESHCNX-UHFFFAOYSA-N 1 1 384.199 4.306 20 0 GIADMO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063724376 823691987 /nfs/dbraw/zinc/69/19/87/823691987.db2.gz QETWKWJQQMGVQE-UHFFFAOYSA-N 1 1 389.540 4.128 20 0 GIADMO C[N@H+](Cc1cc(Br)ccc1F)Cn1cnc2cc(F)c(F)cc21 ZINC000063729481 823692353 /nfs/dbraw/zinc/69/23/53/823692353.db2.gz GMUCDSAUESHCNX-UHFFFAOYSA-N 1 1 384.199 4.306 20 0 GIADMO C[N@@H+](Cc1cc(Br)ccc1F)Cc1c(O)ccc2ccncc21 ZINC000063729537 823692369 /nfs/dbraw/zinc/69/23/69/823692369.db2.gz IYNMWLZOKWZVHO-UHFFFAOYSA-N 1 1 375.241 4.474 20 0 GIADMO COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]Cc3cc(C)no3)s2)cc1OC ZINC000125651599 823693438 /nfs/dbraw/zinc/69/34/38/823693438.db2.gz BAHJSGFJFCDLBN-CYBMUJFWSA-N 1 1 387.505 4.207 20 0 GIADMO CCCc1c(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cnn1Cc1ccccc1 ZINC000063771292 823694512 /nfs/dbraw/zinc/69/45/12/823694512.db2.gz PLQOWHULWVIRLV-UHFFFAOYSA-N 1 1 396.579 4.220 20 0 GIADMO COc1cc(-c2noc(C[NH+]3CCC(Nc4cccc(C)c4)CC3)n2)ccc1C ZINC000125672732 823695460 /nfs/dbraw/zinc/69/54/60/823695460.db2.gz FLTRKMDAWKPBLM-UHFFFAOYSA-N 1 1 392.503 4.439 20 0 GIADMO O=C(C[C@H]1C=CCCC1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972362 823695806 /nfs/dbraw/zinc/69/58/06/823695806.db2.gz OAOLQHLIPFQNHP-INIZCTEOSA-N 1 1 391.353 4.276 20 0 GIADMO C[C@@H]1CC=CC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412973366 823695821 /nfs/dbraw/zinc/69/58/21/823695821.db2.gz QKDRASBSFHZMBP-DNVCBOLYSA-N 1 1 391.353 4.132 20 0 GIADMO O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@H]1CC12CCCC2 ZINC000412978358 823696142 /nfs/dbraw/zinc/69/61/42/823696142.db2.gz YKERZTMWTYAYOZ-GOSISDBHSA-N 1 1 391.353 4.110 20 0 GIADMO Cc1cc(C[C@@H](C)[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)n[nH]1 ZINC000191535285 823696927 /nfs/dbraw/zinc/69/69/27/823696927.db2.gz FTVOUGJVZINBNV-YJYMSZOUSA-N 1 1 392.341 4.169 20 0 GIADMO C[N@H+](Cc1cc(-c2ccccc2)no1)[C@H](CO)c1cccc(Br)c1 ZINC000125695102 823697407 /nfs/dbraw/zinc/69/74/07/823697407.db2.gz NTNVYYCGYKIZBD-LJQANCHMSA-N 1 1 387.277 4.270 20 0 GIADMO C[N@@H+](Cc1cc(-c2ccccc2)no1)[C@H](CO)c1cccc(Br)c1 ZINC000125695102 823697409 /nfs/dbraw/zinc/69/74/09/823697409.db2.gz NTNVYYCGYKIZBD-LJQANCHMSA-N 1 1 387.277 4.270 20 0 GIADMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125710048 823698975 /nfs/dbraw/zinc/69/89/75/823698975.db2.gz SXMAUQFOJMZWHE-GOSISDBHSA-N 1 1 384.495 4.185 20 0 GIADMO COc1cc(C[N@H+](C)Cc2ccc(Cl)nc2)ccc1OCc1ccncc1 ZINC000125713201 823699216 /nfs/dbraw/zinc/69/92/16/823699216.db2.gz QDSLHELRAKHBIL-UHFFFAOYSA-N 1 1 383.879 4.350 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)ccc1OCc1ccncc1 ZINC000125713201 823699220 /nfs/dbraw/zinc/69/92/20/823699220.db2.gz QDSLHELRAKHBIL-UHFFFAOYSA-N 1 1 383.879 4.350 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000063822294 823699485 /nfs/dbraw/zinc/69/94/85/823699485.db2.gz VRJNQJOOTQCUHK-GOSISDBHSA-N 1 1 392.971 4.017 20 0 GIADMO Cc1cc(SCC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c(C)cc1Br ZINC000063834665 823700421 /nfs/dbraw/zinc/70/04/21/823700421.db2.gz RYXWIUZQOCNQCN-OAHLLOKOSA-N 1 1 399.398 4.005 20 0 GIADMO COc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc(Cl)c1OCCC(C)C ZINC000063836286 823700587 /nfs/dbraw/zinc/70/05/87/823700587.db2.gz RRHKKJOOMAZHOK-MRXNPFEDSA-N 1 1 396.959 4.234 20 0 GIADMO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000574317678 823701821 /nfs/dbraw/zinc/70/18/21/823701821.db2.gz ZHKPNUSKQHKXPY-PBHICJAKSA-N 1 1 396.491 4.161 20 0 GIADMO C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000574317678 823701824 /nfs/dbraw/zinc/70/18/24/823701824.db2.gz ZHKPNUSKQHKXPY-PBHICJAKSA-N 1 1 396.491 4.161 20 0 GIADMO CC(C)[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2Br)[nH]c1=S ZINC000063858880 823703023 /nfs/dbraw/zinc/70/30/23/823703023.db2.gz QQCZTBJNMQPNGP-AWEZNQCLSA-N 1 1 381.343 4.448 20 0 GIADMO CC(C)[C@@H]1CCC[N@H+]1Cn1nc(-c2ccccc2Br)[nH]c1=S ZINC000063858880 823703026 /nfs/dbraw/zinc/70/30/26/823703026.db2.gz QQCZTBJNMQPNGP-AWEZNQCLSA-N 1 1 381.343 4.448 20 0 GIADMO CC(C)COC(=O)N1CCC([NH2+][C@H](C)c2nc(C3CCCCC3)no2)CC1 ZINC000191582137 823704194 /nfs/dbraw/zinc/70/41/94/823704194.db2.gz IIBSQXBDNRZLMX-OAHLLOKOSA-N 1 1 378.517 4.025 20 0 GIADMO Cc1cccc([C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c2ccccn2)c1 ZINC000125755227 823704723 /nfs/dbraw/zinc/70/47/23/823704723.db2.gz BIAYPHZJYYXXTN-REWPJTCUSA-N 1 1 394.563 4.291 20 0 GIADMO CCC(CC)n1nccc1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000574346751 823705620 /nfs/dbraw/zinc/70/56/20/823705620.db2.gz NJLJQXVSDNWCSU-LJQANCHMSA-N 1 1 380.492 4.098 20 0 GIADMO O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000574352562 823706804 /nfs/dbraw/zinc/70/68/04/823706804.db2.gz YPZPJDGUPMLOBU-QFIPXVFZSA-N 1 1 397.478 4.343 20 0 GIADMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3nc4ccc(F)cc4o3)C2)cc1 ZINC000163409664 823707203 /nfs/dbraw/zinc/70/72/03/823707203.db2.gz LGVHIFGSPBCHIU-MRXNPFEDSA-N 1 1 396.466 4.309 20 0 GIADMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3nc4ccc(F)cc4o3)C2)cc1 ZINC000163409664 823707209 /nfs/dbraw/zinc/70/72/09/823707209.db2.gz LGVHIFGSPBCHIU-MRXNPFEDSA-N 1 1 396.466 4.309 20 0 GIADMO COc1cc(C[N@@H+](C)Cc2ccccc2N(C)C)cc(OC)c1OCC(F)F ZINC000574365848 823710383 /nfs/dbraw/zinc/71/03/83/823710383.db2.gz IWLGFLYFQPCLQX-UHFFFAOYSA-N 1 1 394.462 4.046 20 0 GIADMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1CCC(=O)N1CCCCC1 ZINC000125803951 823715262 /nfs/dbraw/zinc/71/52/62/823715262.db2.gz MYHDKSCBPKYEPB-KRWDZBQOSA-N 1 1 380.964 4.040 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)c1c(F)cncc1F ZINC000574387123 823716335 /nfs/dbraw/zinc/71/63/35/823716335.db2.gz RFYXIXLOOJJKRS-WDEREUQCSA-N 1 1 398.251 4.190 20 0 GIADMO C[C@H]1C[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CC2(CCOCC2)O1 ZINC000574393964 823718312 /nfs/dbraw/zinc/71/83/12/823718312.db2.gz DLXUYVMIGMSNOE-HNNXBMFYSA-N 1 1 392.952 4.250 20 0 GIADMO C[C@@H]1C[N@@H+](CCSc2ccnc3cc(Cl)ccc32)CC2(CCOCC2)O1 ZINC000574393965 823718562 /nfs/dbraw/zinc/71/85/62/823718562.db2.gz DLXUYVMIGMSNOE-OAHLLOKOSA-N 1 1 392.952 4.250 20 0 GIADMO CC(C)(C)OCCCC[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000574396824 823718959 /nfs/dbraw/zinc/71/89/59/823718959.db2.gz JFCFTXSOQMWHLX-LJQANCHMSA-N 1 1 378.532 4.139 20 0 GIADMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)o1 ZINC000574399681 823719599 /nfs/dbraw/zinc/71/95/99/823719599.db2.gz NTNFYRFWAQVTKU-MIVHDCIWSA-N 1 1 388.471 4.344 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000125841990 823725722 /nfs/dbraw/zinc/72/57/22/823725722.db2.gz YSNHYBCNEQXNBM-GCJKJVERSA-N 1 1 394.519 4.152 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191662130 823726387 /nfs/dbraw/zinc/72/63/87/823726387.db2.gz FNZCJDHOFAOYJY-OAHLLOKOSA-N 1 1 375.394 4.465 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(-c3ccccn3)no2)cc1 ZINC000461865010 823727101 /nfs/dbraw/zinc/72/71/01/823727101.db2.gz GEFXNIMFSMSPNK-INIZCTEOSA-N 1 1 376.460 4.363 20 0 GIADMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ncc(-c2ccccc2)o1 ZINC000125853550 823729189 /nfs/dbraw/zinc/72/91/89/823729189.db2.gz XNZINEMNHBOXLR-GHTZIAJQSA-N 1 1 389.499 4.431 20 0 GIADMO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000191672703 823729354 /nfs/dbraw/zinc/72/93/54/823729354.db2.gz POVTUXVFZOTISZ-UHFFFAOYSA-N 1 1 377.460 4.214 20 0 GIADMO CCS[C@@H](C)c1noc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000125858888 823730909 /nfs/dbraw/zinc/73/09/09/823730909.db2.gz AQVVEGCHVTVHAV-HNNXBMFYSA-N 1 1 385.537 4.338 20 0 GIADMO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)n1 ZINC000125858888 823730910 /nfs/dbraw/zinc/73/09/10/823730910.db2.gz AQVVEGCHVTVHAV-HNNXBMFYSA-N 1 1 385.537 4.338 20 0 GIADMO FC(F)(F)c1nnc(N2CCC[N@@H+](Cc3coc4ccccc34)CC2)s1 ZINC000191685874 823733359 /nfs/dbraw/zinc/73/33/59/823733359.db2.gz JPTFWPAJSFLDQT-UHFFFAOYSA-N 1 1 382.411 4.015 20 0 GIADMO Cc1ccc(C[N@@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)o1 ZINC000191687673 823734031 /nfs/dbraw/zinc/73/40/31/823734031.db2.gz FNXQONMSPAJHTH-UHFFFAOYSA-N 1 1 382.298 4.132 20 0 GIADMO Cc1ccc(C[N@H+](C)Cc2cccc(Br)c2OCC(C)(C)O)o1 ZINC000191687673 823734037 /nfs/dbraw/zinc/73/40/37/823734037.db2.gz FNXQONMSPAJHTH-UHFFFAOYSA-N 1 1 382.298 4.132 20 0 GIADMO COCC[NH+]1CCC(N[C@H](COc2c(C)cccc2C)c2ccccc2)CC1 ZINC000461888482 823739712 /nfs/dbraw/zinc/73/97/12/823739712.db2.gz GVGREIDZVPQHTJ-HSZRJFAPSA-N 1 1 382.548 4.124 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000125906567 823740957 /nfs/dbraw/zinc/74/09/57/823740957.db2.gz RTIQITIXLJOPTB-QGZVFWFLSA-N 1 1 380.513 4.345 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000125906567 823740962 /nfs/dbraw/zinc/74/09/62/823740962.db2.gz RTIQITIXLJOPTB-QGZVFWFLSA-N 1 1 380.513 4.345 20 0 GIADMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1 ZINC000574501603 823750011 /nfs/dbraw/zinc/75/00/11/823750011.db2.gz YZFZFWMZLPIMJQ-MJGOQNOKSA-N 1 1 399.498 4.208 20 0 GIADMO COc1cc(F)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1OC ZINC000163814322 823751536 /nfs/dbraw/zinc/75/15/36/823751536.db2.gz ZIUHROKPGMYHCU-HNNXBMFYSA-N 1 1 386.467 4.470 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc(F)c(Cl)cc1Cl ZINC000163815322 823751671 /nfs/dbraw/zinc/75/16/71/823751671.db2.gz AIXVNQKTNVHKRO-LBPRGKRZSA-N 1 1 399.293 4.450 20 0 GIADMO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000163829806 823752576 /nfs/dbraw/zinc/75/25/76/823752576.db2.gz HCHCLJPGHJOPIO-INIZCTEOSA-N 1 1 395.528 4.128 20 0 GIADMO CCCN(C(=O)c1ccc2cnccc2n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000413337180 823755587 /nfs/dbraw/zinc/75/55/87/823755587.db2.gz VVZSKJIVFDLYLX-NRFANRHFSA-N 1 1 388.515 4.147 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)c2cccc(Br)c2)c1 ZINC000461925073 823758645 /nfs/dbraw/zinc/75/86/45/823758645.db2.gz ZONUIWFYDRLMSG-OAHLLOKOSA-N 1 1 389.337 4.321 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c(C)c1OC ZINC000574539799 823759438 /nfs/dbraw/zinc/75/94/38/823759438.db2.gz KMHRXGAFVMPESA-VFNWGFHPSA-N 1 1 383.467 4.325 20 0 GIADMO CCCOc1ccccc1Oc1ncccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000163916280 823760558 /nfs/dbraw/zinc/76/05/58/823760558.db2.gz SSHGKEJJEUSLKV-NLWGTHIKSA-N 1 1 383.536 4.481 20 0 GIADMO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CC(F)(F)F ZINC000413370055 823761552 /nfs/dbraw/zinc/76/15/52/823761552.db2.gz VKVLCAXTMFKZQU-SOLBZPMBSA-N 1 1 385.474 4.317 20 0 GIADMO OC[C@@]1(c2ccccc2)CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000461930669 823761926 /nfs/dbraw/zinc/76/19/26/823761926.db2.gz ICGIWBYAOOAGJG-HXUWFJFHSA-N 1 1 383.289 4.138 20 0 GIADMO CC(C)(C)CCOc1cnccc1C[NH2+]Cc1cncc(Br)c1 ZINC000574551731 823763080 /nfs/dbraw/zinc/76/30/80/823763080.db2.gz QFQLLLYMWNDITK-UHFFFAOYSA-N 1 1 378.314 4.344 20 0 GIADMO Cc1ccsc1CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000163952350 823764895 /nfs/dbraw/zinc/76/48/95/823764895.db2.gz KGAJXGLJPRSVGD-KRWDZBQOSA-N 1 1 376.591 4.469 20 0 GIADMO C[C@@H](CNc1ccc[nH+]c1N1CCC(O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000574558300 823765462 /nfs/dbraw/zinc/76/54/62/823765462.db2.gz CQRBRHPNLQHFQI-AWEZNQCLSA-N 1 1 379.426 4.277 20 0 GIADMO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126016095 823766640 /nfs/dbraw/zinc/76/66/40/823766640.db2.gz CWCFIWSJPCPCCC-UTKZUKDTSA-N 1 1 394.625 4.420 20 0 GIADMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574570727 823769267 /nfs/dbraw/zinc/76/92/67/823769267.db2.gz NEAGYQSGUBYGAP-MCIONIFRSA-N 1 1 377.510 4.159 20 0 GIADMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574570727 823769274 /nfs/dbraw/zinc/76/92/74/823769274.db2.gz NEAGYQSGUBYGAP-MCIONIFRSA-N 1 1 377.510 4.159 20 0 GIADMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000574570728 823769571 /nfs/dbraw/zinc/76/95/71/823769571.db2.gz NEAGYQSGUBYGAP-MGPQQGTHSA-N 1 1 377.510 4.159 20 0 GIADMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000574570728 823769576 /nfs/dbraw/zinc/76/95/76/823769576.db2.gz NEAGYQSGUBYGAP-MGPQQGTHSA-N 1 1 377.510 4.159 20 0 GIADMO CCCN1CCC([NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000164028615 823771813 /nfs/dbraw/zinc/77/18/13/823771813.db2.gz VNXVURMPJYNVGL-GOSISDBHSA-N 1 1 383.536 4.194 20 0 GIADMO COC(=O)[C@H]1CC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H]1C ZINC000191803457 823773956 /nfs/dbraw/zinc/77/39/56/823773956.db2.gz PFKSOASYSHZSLW-LRDDRELGSA-N 1 1 398.450 4.460 20 0 GIADMO COC(=O)[C@H]1CC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H]1C ZINC000191803457 823773961 /nfs/dbraw/zinc/77/39/61/823773961.db2.gz PFKSOASYSHZSLW-LRDDRELGSA-N 1 1 398.450 4.460 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC[C@H]3CC(C)(C)C)c2)CCO1 ZINC000064227831 823775158 /nfs/dbraw/zinc/77/51/58/823775158.db2.gz GBEPWHQWSFRNBT-RXVVDRJESA-N 1 1 387.568 4.018 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC[C@H]3CC(C)(C)C)c2)CCO1 ZINC000064227831 823775163 /nfs/dbraw/zinc/77/51/63/823775163.db2.gz GBEPWHQWSFRNBT-RXVVDRJESA-N 1 1 387.568 4.018 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccc(OC)cc2)C2CC2)c1 ZINC000064229752 823775757 /nfs/dbraw/zinc/77/57/57/823775757.db2.gz WALCCDQWGYBRJX-UHFFFAOYSA-N 1 1 381.520 4.021 20 0 GIADMO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000191808791 823777006 /nfs/dbraw/zinc/77/70/06/823777006.db2.gz FWLUVQMASHWLSF-CVEARBPZSA-N 1 1 394.943 4.347 20 0 GIADMO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H]3c3ccccc3Br)cc12 ZINC000126055444 823777013 /nfs/dbraw/zinc/77/70/13/823777013.db2.gz SZRVWLLNGPYTRZ-GOSISDBHSA-N 1 1 385.309 4.376 20 0 GIADMO Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@H]3c3ccccc3Br)cc12 ZINC000126055444 823777017 /nfs/dbraw/zinc/77/70/17/823777017.db2.gz SZRVWLLNGPYTRZ-GOSISDBHSA-N 1 1 385.309 4.376 20 0 GIADMO C[C@H](NC(=O)NCc1cnccc1C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000413440201 823778201 /nfs/dbraw/zinc/77/82/01/823778201.db2.gz RWSFLQOLEQOVCW-ICSRJNTNSA-N 1 1 394.563 4.089 20 0 GIADMO C[C@@H](NC(=O)NCc1cnccc1C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 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DZTDTBDZGZBPIR-CZUORRHYSA-N 1 1 392.475 4.476 20 0 GIADMO C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834072 823790838 /nfs/dbraw/zinc/79/08/38/823790838.db2.gz NKNNWDMYZDAUIT-KNQAVFIVSA-N 1 1 375.516 4.177 20 0 GIADMO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1ccc2ccccc2n1 ZINC000191834072 823790848 /nfs/dbraw/zinc/79/08/48/823790848.db2.gz NKNNWDMYZDAUIT-KNQAVFIVSA-N 1 1 375.516 4.177 20 0 GIADMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(Cc1cccs1)C1Cc2ccccc2C1 ZINC000462011411 823793745 /nfs/dbraw/zinc/79/37/45/823793745.db2.gz QUCSLMFTZBHLNK-KRWDZBQOSA-N 1 1 385.577 4.156 20 0 GIADMO C[C@H](CC(F)F)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413537723 823794369 /nfs/dbraw/zinc/79/43/69/823794369.db2.gz HBAXATMGFWHSJT-ZBFHGGJFSA-N 1 1 392.412 4.191 20 0 GIADMO C[C@@H]([NH2+]Cc1nccn1CCCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000164342452 823797420 /nfs/dbraw/zinc/79/74/20/823797420.db2.gz OUQMUFIJLTZURD-GOSISDBHSA-N 1 1 377.488 4.138 20 0 GIADMO CC[N@H+](CC(=O)N(C)C1CC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000064348572 823797754 /nfs/dbraw/zinc/79/77/54/823797754.db2.gz ZGWQFDQVMZIQSZ-UHFFFAOYSA-N 1 1 380.410 4.408 20 0 GIADMO CC[N@@H+](CC(=O)N(C)C1CC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000064348572 823797758 /nfs/dbraw/zinc/79/77/58/823797758.db2.gz ZGWQFDQVMZIQSZ-UHFFFAOYSA-N 1 1 380.410 4.408 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1F ZINC000164380502 823799559 /nfs/dbraw/zinc/79/95/59/823799559.db2.gz SYIORZQRZYCUDF-OAQYLSRUSA-N 1 1 393.466 4.070 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000126156056 823801357 /nfs/dbraw/zinc/80/13/57/823801357.db2.gz RZYYNPAJDOEYBU-SFHVURJKSA-N 1 1 389.421 4.074 20 0 GIADMO Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000126156056 823801364 /nfs/dbraw/zinc/80/13/64/823801364.db2.gz RZYYNPAJDOEYBU-SFHVURJKSA-N 1 1 389.421 4.074 20 0 GIADMO O=C(c1cc(-c2ccccc2)ns1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000462036931 823805881 /nfs/dbraw/zinc/80/58/81/823805881.db2.gz IJPNVGUGEBRDNS-UHFFFAOYSA-N 1 1 377.513 4.158 20 0 GIADMO O=C(c1cc(-c2ccccc2)ns1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000462036931 823805885 /nfs/dbraw/zinc/80/58/85/823805885.db2.gz IJPNVGUGEBRDNS-UHFFFAOYSA-N 1 1 377.513 4.158 20 0 GIADMO COc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)c(OC)c1OC ZINC000164529523 823807074 /nfs/dbraw/zinc/80/70/74/823807074.db2.gz SPXJGDSRXSGERF-LBPRGKRZSA-N 1 1 385.382 4.462 20 0 GIADMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(OCc3ccc(F)cc3)cc1)C[C@@H](C)O2 ZINC000574716881 823807779 /nfs/dbraw/zinc/80/77/79/823807779.db2.gz XIHDPEJDRSJSHT-PMAPCBKXSA-N 1 1 385.479 4.173 20 0 GIADMO Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)o2)c(C)c1 ZINC000164560244 823808389 /nfs/dbraw/zinc/80/83/89/823808389.db2.gz MZFHVIBLMJHNGD-ICSRJNTNSA-N 1 1 382.504 4.032 20 0 GIADMO O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1CCC(F)(F)F ZINC000126192087 823809352 /nfs/dbraw/zinc/80/93/52/823809352.db2.gz OGMLMNSTKJFMBW-UHFFFAOYSA-N 1 1 391.437 4.361 20 0 GIADMO CC(C)COc1ccc(C(C)(C)CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000462044877 823810163 /nfs/dbraw/zinc/81/01/63/823810163.db2.gz LJSDJSDQIRDFKA-UHFFFAOYSA-N 1 1 399.535 4.013 20 0 GIADMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000064402072 823812243 /nfs/dbraw/zinc/81/22/43/823812243.db2.gz GKNJKHJXFUTHJZ-CYBMUJFWSA-N 1 1 389.912 4.120 20 0 GIADMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000064402072 823812247 /nfs/dbraw/zinc/81/22/47/823812247.db2.gz GKNJKHJXFUTHJZ-CYBMUJFWSA-N 1 1 389.912 4.120 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000462055230 823814589 /nfs/dbraw/zinc/81/45/89/823814589.db2.gz PVQJOBHWRTZOOT-ACJLOTCBSA-N 1 1 384.351 4.428 20 0 GIADMO C[C@@H]1CCc2c(sc3nc(C[NH2+][C@H]4CCO[C@@H]4c4ccccc4)nc(N)c23)C1 ZINC000191931929 823814737 /nfs/dbraw/zinc/81/47/37/823814737.db2.gz USUIOZWEXRWSBW-JOTOCRJQSA-N 1 1 394.544 4.018 20 0 GIADMO CC[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462062500 823817328 /nfs/dbraw/zinc/81/73/28/823817328.db2.gz YJUGIXOSZBBUKK-HNNXBMFYSA-N 1 1 396.318 4.328 20 0 GIADMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCc1c(C)noc1C)CC2 ZINC000164739819 823818070 /nfs/dbraw/zinc/81/80/70/823818070.db2.gz RYHWGJQPOINKSE-XMMPIXPASA-N 1 1 392.499 4.499 20 0 GIADMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(OCc2noc(C)n2)cc1 ZINC000462069652 823818860 /nfs/dbraw/zinc/81/88/60/823818860.db2.gz ANPFUKYWMHGRIL-FQEVSTJZSA-N 1 1 392.503 4.058 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cnccc1C(C)(C)C ZINC000413700965 823820800 /nfs/dbraw/zinc/82/08/00/823820800.db2.gz SKMMBSKAKAGTLL-HXUWFJFHSA-N 1 1 394.563 4.043 20 0 GIADMO Cc1ccccc1COc1cccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000462077369 823821182 /nfs/dbraw/zinc/82/11/82/823821182.db2.gz UICYWTHSMNHJFF-UHFFFAOYSA-N 1 1 391.471 4.410 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462078786 823821585 /nfs/dbraw/zinc/82/15/85/823821585.db2.gz IUDGMXMRQCLDHV-JSGCOSHPSA-N 1 1 389.487 4.197 20 0 GIADMO Cc1cccc([C@@H]2CCC[N@H+]2Cn2ccc(=O)c3cccc(Br)c32)n1 ZINC000164821247 823821729 /nfs/dbraw/zinc/82/17/29/823821729.db2.gz XHWAWLBNAUBFBR-SFHVURJKSA-N 1 1 398.304 4.262 20 0 GIADMO CSCC[C@H](C)[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000126261164 823823708 /nfs/dbraw/zinc/82/37/08/823823708.db2.gz OIAOMLKGSZQRSG-VIFPVBQESA-N 1 1 376.345 4.134 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000064481596 823827802 /nfs/dbraw/zinc/82/78/02/823827802.db2.gz ZYNSZKODOSFNEK-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@H+](Cc2cc(F)cc3cccnc32)CC1 ZINC000064481596 823827803 /nfs/dbraw/zinc/82/78/03/823827803.db2.gz ZYNSZKODOSFNEK-UHFFFAOYSA-N 1 1 397.881 4.375 20 0 GIADMO C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)CC(F)(F)F ZINC000413739243 823829050 /nfs/dbraw/zinc/82/90/50/823829050.db2.gz BEWMYKWWHLBQBX-JKSUJKDBSA-N 1 1 377.495 4.261 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000064489273 823829599 /nfs/dbraw/zinc/82/95/99/823829599.db2.gz WQPKAIBNUIDKJU-HZPDHXFCSA-N 1 1 397.276 4.080 20 0 GIADMO C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191981439 823830586 /nfs/dbraw/zinc/83/05/86/823830586.db2.gz ZSPOZYQYURZWRP-HXUWFJFHSA-N 1 1 382.504 4.472 20 0 GIADMO O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cc(C[NH+]2CCCC2)on1 ZINC000462110588 823830706 /nfs/dbraw/zinc/83/07/06/823830706.db2.gz FQBSSWUEMPQFBS-SFHVURJKSA-N 1 1 381.501 4.046 20 0 GIADMO C=Cc1ccc(C(=O)Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)cc1 ZINC000191983407 823830853 /nfs/dbraw/zinc/83/08/53/823830853.db2.gz RIWNXHIXMZKMIS-UHFFFAOYSA-N 1 1 377.488 4.315 20 0 GIADMO Cc1ccc(NC(=O)c2cc3sccc3[nH]2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000191983451 823831321 /nfs/dbraw/zinc/83/13/21/823831321.db2.gz IJTVDHFQZMBRIP-UHFFFAOYSA-N 1 1 396.516 4.215 20 0 GIADMO CC(=O)c1ccc(Oc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000126292046 823831659 /nfs/dbraw/zinc/83/16/59/823831659.db2.gz HAMCKGCWGUGAST-OXJNMPFZSA-N 1 1 380.488 4.236 20 0 GIADMO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)cc1OC ZINC000064517639 823834010 /nfs/dbraw/zinc/83/40/10/823834010.db2.gz ZGYDJNAZFJOONE-OAQYLSRUSA-N 1 1 396.531 4.116 20 0 GIADMO COc1cc(C[NH2+]Cc2c(C)nn(C)c2Cl)ccc1OCc1ccccc1 ZINC000126301709 823834259 /nfs/dbraw/zinc/83/42/59/823834259.db2.gz OLJGUXBBXIAGLK-UHFFFAOYSA-N 1 1 385.895 4.259 20 0 GIADMO CC(C)Sc1cccc(Cl)c1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000192028633 823837094 /nfs/dbraw/zinc/83/70/94/823837094.db2.gz RRXMNDQJDDVCCW-UHFFFAOYSA-N 1 1 391.968 4.362 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N1CCC=C(F)C1 ZINC000462129808 823838771 /nfs/dbraw/zinc/83/87/71/823838771.db2.gz GYONVHPHWMCVJZ-IBGZPJMESA-N 1 1 385.508 4.116 20 0 GIADMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N1CCC=C(F)C1 ZINC000462129808 823838778 /nfs/dbraw/zinc/83/87/78/823838778.db2.gz GYONVHPHWMCVJZ-IBGZPJMESA-N 1 1 385.508 4.116 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462133293 823839923 /nfs/dbraw/zinc/83/99/23/823839923.db2.gz JADZGFOMAAGRII-UHFFFAOYSA-N 1 1 392.381 4.076 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(COC(C)C)c2)CC1 ZINC000064544019 823840125 /nfs/dbraw/zinc/84/01/25/823840125.db2.gz XQUCLLROFIKBPX-UHFFFAOYSA-N 1 1 381.520 4.270 20 0 GIADMO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)o1 ZINC000165294934 823842682 /nfs/dbraw/zinc/84/26/82/823842682.db2.gz WUURUNZVYODCBB-OXQOHEQNSA-N 1 1 383.492 4.134 20 0 GIADMO C[C@H]1CN(c2ccc(NC(=O)C[N@@H+](C3CC3)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000064556827 823843573 /nfs/dbraw/zinc/84/35/73/823843573.db2.gz YOKAMLBRXVTLMH-ROUUACIJSA-N 1 1 385.552 4.036 20 0 GIADMO COC(=O)CC[N@H+](Cc1csc(Cc2ccc(Cl)cc2)n1)CC(C)C ZINC000064558902 823843748 /nfs/dbraw/zinc/84/37/48/823843748.db2.gz BZPWHYVDUQWSEJ-UHFFFAOYSA-N 1 1 380.941 4.408 20 0 GIADMO CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000126341611 823843993 /nfs/dbraw/zinc/84/39/93/823843993.db2.gz RORVVNMRJLXKKI-QAPCUYQASA-N 1 1 381.358 4.384 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000574858510 823845331 /nfs/dbraw/zinc/84/53/31/823845331.db2.gz SAPVWUMRMDNSKP-HKUYNNGSSA-N 1 1 398.304 4.147 20 0 GIADMO O[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000574858510 823845335 /nfs/dbraw/zinc/84/53/35/823845335.db2.gz SAPVWUMRMDNSKP-HKUYNNGSSA-N 1 1 398.304 4.147 20 0 GIADMO COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064631935 823855167 /nfs/dbraw/zinc/85/51/67/823855167.db2.gz SJVMDQQMBJOLRL-LJQANCHMSA-N 1 1 396.531 4.033 20 0 GIADMO Cc1ccc(C)c(OC2CC[NH+](CC(=O)N[C@H](C)c3ccc(F)cc3)CC2)c1 ZINC000064631999 823855255 /nfs/dbraw/zinc/85/52/55/823855255.db2.gz CQFVDCDDIVALQW-GOSISDBHSA-N 1 1 384.495 4.163 20 0 GIADMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192088797 823856091 /nfs/dbraw/zinc/85/60/91/823856091.db2.gz XJYZLNVMXVTDIH-NRFANRHFSA-N 1 1 378.447 4.185 20 0 GIADMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CC3(CCC3)C(=O)O2)cc1 ZINC000192088804 823856220 /nfs/dbraw/zinc/85/62/20/823856220.db2.gz XJYZLNVMXVTDIH-OAQYLSRUSA-N 1 1 378.447 4.185 20 0 GIADMO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064643940 823856230 /nfs/dbraw/zinc/85/62/30/823856230.db2.gz BGSWLRDOBAKSAZ-OALUTQOASA-N 1 1 385.577 4.453 20 0 GIADMO CCc1ccc(CNC(=O)C[N@@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)s1 ZINC000064641664 823856274 /nfs/dbraw/zinc/85/62/74/823856274.db2.gz BJQJXGRRYMLFKP-INIZCTEOSA-N 1 1 386.561 4.236 20 0 GIADMO O=C(NCc1cc2ccccc2o1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064643956 823856336 /nfs/dbraw/zinc/85/63/36/823856336.db2.gz LCYJKXPXACUOIP-INIZCTEOSA-N 1 1 383.517 4.206 20 0 GIADMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000064644222 823856672 /nfs/dbraw/zinc/85/66/72/823856672.db2.gz BLPRORNOZRLMBO-UYUJGIFYSA-N 1 1 387.593 4.180 20 0 GIADMO Cc1csc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1Br ZINC000192091786 823857314 /nfs/dbraw/zinc/85/73/14/823857314.db2.gz LYJISSFRLSVHJZ-WFASDCNBSA-N 1 1 393.350 4.069 20 0 GIADMO CC(C)c1cccc(NC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000574904673 823857850 /nfs/dbraw/zinc/85/78/50/823857850.db2.gz ZQBQDDZYHHWQSU-UHFFFAOYSA-N 1 1 395.551 4.412 20 0 GIADMO CC[C@@H]([NH2+][C@H](C)c1cccnc1Cl)c1ccccc1OCC(=O)N(C)C ZINC000165681157 823858290 /nfs/dbraw/zinc/85/82/90/823858290.db2.gz OHRWILVHLVMQAS-RHSMWYFYSA-N 1 1 375.900 4.004 20 0 GIADMO Cc1ccc2c(CCC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c[nH]c2c1 ZINC000462189088 823861413 /nfs/dbraw/zinc/86/14/13/823861413.db2.gz PAZSWJMUERRTGY-MBSDFSHPSA-N 1 1 375.516 4.046 20 0 GIADMO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192108293 823862634 /nfs/dbraw/zinc/86/26/34/823862634.db2.gz WJTNWYZIEAIQLF-CQSZACIVSA-N 1 1 389.883 4.088 20 0 GIADMO CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192108293 823862641 /nfs/dbraw/zinc/86/26/41/823862641.db2.gz WJTNWYZIEAIQLF-CQSZACIVSA-N 1 1 389.883 4.088 20 0 GIADMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NCc2ccc(-c3ccccc3)o2)C1 ZINC000126422125 823862661 /nfs/dbraw/zinc/86/26/61/823862661.db2.gz HJJXGYXZMRYQDW-HXUWFJFHSA-N 1 1 389.499 4.256 20 0 GIADMO C[C@H]([NH2+][C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 ZINC000165838780 823864107 /nfs/dbraw/zinc/86/41/07/823864107.db2.gz GDMPHXVRPLGDCU-OYHNWAKOSA-N 1 1 391.425 4.381 20 0 GIADMO Cc1nc(C(F)(F)F)sc1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000462195084 823864256 /nfs/dbraw/zinc/86/42/56/823864256.db2.gz JWBIDUACCCQBBW-GFCCVEGCSA-N 1 1 385.455 4.111 20 0 GIADMO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000192120495 823866474 /nfs/dbraw/zinc/86/64/74/823866474.db2.gz ZBEXEZZNMPFPQQ-DZGCQCFKSA-N 1 1 395.450 4.295 20 0 GIADMO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000192120495 823866482 /nfs/dbraw/zinc/86/64/82/823866482.db2.gz ZBEXEZZNMPFPQQ-DZGCQCFKSA-N 1 1 395.450 4.295 20 0 GIADMO CCOc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1F ZINC000574945795 823867571 /nfs/dbraw/zinc/86/75/71/823867571.db2.gz ARKUODXFUXSQMR-OALUTQOASA-N 1 1 397.494 4.210 20 0 GIADMO CCc1nc2c(s1)[C@H](N[C@H](CC[N@@H+](C)CCOC)c1ccccc1)CCC2 ZINC000165994319 823868080 /nfs/dbraw/zinc/86/80/80/823868080.db2.gz YAJDSCJFKFSKFY-RTBURBONSA-N 1 1 387.593 4.382 20 0 GIADMO CCc1c(NC(=O)CCn2cc[nH+]c2C(C)C)cnn1-c1ccccc1Cl ZINC000192124915 823868248 /nfs/dbraw/zinc/86/82/48/823868248.db2.gz WZKKMOJSYLBCFA-UHFFFAOYSA-N 1 1 385.899 4.437 20 0 GIADMO CC(C)(C)[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(F)cc1F ZINC000462206077 823870810 /nfs/dbraw/zinc/87/08/10/823870810.db2.gz XGSTYGDQUWTBBF-SFHVURJKSA-N 1 1 377.435 4.066 20 0 GIADMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000166181630 823871760 /nfs/dbraw/zinc/87/17/60/823871760.db2.gz MKNXIUZNELWFBO-MTNREXPMSA-N 1 1 395.522 4.284 20 0 GIADMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000574961899 823872842 /nfs/dbraw/zinc/87/28/42/823872842.db2.gz NVMXRQAGESMRGS-KRWDZBQOSA-N 1 1 393.560 4.018 20 0 GIADMO Cn1cc(C[C@H]2CC[N@@H+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)C2)cn1 ZINC000166235376 823873305 /nfs/dbraw/zinc/87/33/05/823873305.db2.gz ZLVCOOPNHWOSPR-CQSZACIVSA-N 1 1 390.409 4.159 20 0 GIADMO Cc1cc(-c2noc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)n2)ccc1F ZINC000192138120 823874975 /nfs/dbraw/zinc/87/49/75/823874975.db2.gz BIEHFWAMNDTLQG-MJGOQNOKSA-N 1 1 389.377 4.082 20 0 GIADMO Cc1ccc(-c2nc(CC(=O)N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)cs2)o1 ZINC000064735665 823875351 /nfs/dbraw/zinc/87/53/51/823875351.db2.gz WDZYZEHFUUMMCV-DAYGRLMNSA-N 1 1 387.549 4.118 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccnc1Sc1ccc(C)c(C)c1 ZINC000064736967 823876336 /nfs/dbraw/zinc/87/63/36/823876336.db2.gz LIKCSGUNRMCGIA-HNNXBMFYSA-N 1 1 394.544 4.421 20 0 GIADMO CCOc1ccc(-c2nc(C)c(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)s2)cc1 ZINC000064737095 823876393 /nfs/dbraw/zinc/87/63/93/823876393.db2.gz SSOFNTINHTUSTI-AWEZNQCLSA-N 1 1 398.532 4.088 20 0 GIADMO CC(C)(C)c1nc2ccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2[nH]1 ZINC000574970171 823876741 /nfs/dbraw/zinc/87/67/41/823876741.db2.gz ZIAQTTWRIYGVBG-INIZCTEOSA-N 1 1 386.565 4.016 20 0 GIADMO C[N@@H+](CCC(=O)Nc1cccc(Br)c1)Cc1ccc(F)cc1F ZINC000574978990 823878665 /nfs/dbraw/zinc/87/86/65/823878665.db2.gz PXEYKMBWXDOQCP-UHFFFAOYSA-N 1 1 383.236 4.188 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@H]3c4ccccc4CCC[C@@H]3C)CC2)[nH+]c1 ZINC000462224540 823880963 /nfs/dbraw/zinc/88/09/63/823880963.db2.gz NDRYYKDWBWUEIS-FDDCHVKYSA-N 1 1 392.547 4.372 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@@H]3c4ccccc4CCC[C@@H]3C)CC2)[nH+]c1 ZINC000462224542 823880989 /nfs/dbraw/zinc/88/09/89/823880989.db2.gz NDRYYKDWBWUEIS-MBSDFSHPSA-N 1 1 392.547 4.372 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Oc1ccncc1 ZINC000126487861 823881620 /nfs/dbraw/zinc/88/16/20/823881620.db2.gz CAEZEXCDTJPFDK-KNQAVFIVSA-N 1 1 391.515 4.271 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CC(c4ccccc4)(C(C)C)C3)CC2)cs1 ZINC000413995520 823885542 /nfs/dbraw/zinc/88/55/42/823885542.db2.gz TWAOWARBHRMFDH-UHFFFAOYSA-N 1 1 397.588 4.100 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1C(F)(F)F ZINC000462233442 823886984 /nfs/dbraw/zinc/88/69/84/823886984.db2.gz QMXLFXXXCDSPOE-RDTXWAMCSA-N 1 1 377.410 4.347 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C)cc2OC[C@@H]2CCOC2)c1 ZINC000167168639 823887544 /nfs/dbraw/zinc/88/75/44/823887544.db2.gz VGJKRIAYYJOSCM-QZTJIDSGSA-N 1 1 385.504 4.278 20 0 GIADMO CC(C)[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000064801644 823888216 /nfs/dbraw/zinc/88/82/16/823888216.db2.gz GPRIKRJWSIMKSZ-UHFFFAOYSA-N 1 1 388.430 4.443 20 0 GIADMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000575015341 823888271 /nfs/dbraw/zinc/88/82/71/823888271.db2.gz UUMCPPMOQMPSCB-INIZCTEOSA-N 1 1 395.425 4.307 20 0 GIADMO Cc1cc(Br)ccc1C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000462236789 823889045 /nfs/dbraw/zinc/88/90/45/823889045.db2.gz MFAZWKNRSFMQLA-UHFFFAOYSA-N 1 1 376.298 4.398 20 0 GIADMO O=C(C[N@@H+](C1CC1)C1CCCC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000064808295 823889294 /nfs/dbraw/zinc/88/92/94/823889294.db2.gz JKZGIZDADSUFOF-UHFFFAOYSA-N 1 1 377.488 4.284 20 0 GIADMO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2noc(C3CC3)n2)CC1)c1ccccc1 ZINC000462237745 823889384 /nfs/dbraw/zinc/88/93/84/823889384.db2.gz OOILPMORAQQBDF-JXFKEZNVSA-N 1 1 396.535 4.173 20 0 GIADMO Cc1sc(NC(=O)CCn2cc[nH+]c2C(C)C)nc1-c1c[nH]c2ncccc12 ZINC000126539130 823893705 /nfs/dbraw/zinc/89/37/05/823893705.db2.gz JVAPQBJVTOUSCN-UHFFFAOYSA-N 1 1 394.504 4.344 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CSCc2cscn2)c1 ZINC000126542068 823894213 /nfs/dbraw/zinc/89/42/13/823894213.db2.gz HRYNHNQTKHOLSY-UHFFFAOYSA-N 1 1 386.546 4.383 20 0 GIADMO C[C@@H](NC(C)(C)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccccc1 ZINC000167860287 823897133 /nfs/dbraw/zinc/89/71/33/823897133.db2.gz GXLIYRIVFVECCL-QZTJIDSGSA-N 1 1 381.520 4.423 20 0 GIADMO COc1cc([C@@H](C)[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc(OC)c1OC ZINC000167856953 823897187 /nfs/dbraw/zinc/89/71/87/823897187.db2.gz NEOPQMHYUHNJEJ-IAGOWNOFSA-N 1 1 386.536 4.492 20 0 GIADMO O=C1O[C@H](C[N@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)CC12CCC2 ZINC000192193274 823897502 /nfs/dbraw/zinc/89/75/02/823897502.db2.gz NJYPLHQCPKDUJJ-JKSUJKDBSA-N 1 1 385.451 4.281 20 0 GIADMO O=C1O[C@H](C[N@@H+]2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)CC12CCC2 ZINC000192193274 823897510 /nfs/dbraw/zinc/89/75/10/823897510.db2.gz NJYPLHQCPKDUJJ-JKSUJKDBSA-N 1 1 385.451 4.281 20 0 GIADMO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167903672 823897972 /nfs/dbraw/zinc/89/79/72/823897972.db2.gz LQWJZFHZWUNCCS-QFBILLFUSA-N 1 1 398.555 4.461 20 0 GIADMO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](Cc3snnc3C)C2)n1 ZINC000575049764 823899437 /nfs/dbraw/zinc/89/94/37/823899437.db2.gz NNOWMAKKNUKEQY-AWEZNQCLSA-N 1 1 386.546 4.358 20 0 GIADMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000168050387 823899608 /nfs/dbraw/zinc/89/96/08/823899608.db2.gz PFUCJIKGPAGFPP-HOTGVXAUSA-N 1 1 380.414 4.412 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)ccc1OCCO ZINC000414067087 823900153 /nfs/dbraw/zinc/90/01/53/823900153.db2.gz IPXVLDZKEZLZAH-HNNXBMFYSA-N 1 1 384.501 4.041 20 0 GIADMO CCC(=O)Nc1ccccc1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000462253124 823900138 /nfs/dbraw/zinc/90/01/38/823900138.db2.gz GQVBHYASCBFOHM-SFHVURJKSA-N 1 1 385.552 4.152 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126571725 823901982 /nfs/dbraw/zinc/90/19/82/823901982.db2.gz UNVSRHQKSDWKFX-IEBWSBKVSA-N 1 1 380.492 4.131 20 0 GIADMO O=c1[nH]c(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000575065821 823902572 /nfs/dbraw/zinc/90/25/72/823902572.db2.gz FNSDNIBYSPIHLI-MAUKXSAKSA-N 1 1 390.270 4.262 20 0 GIADMO Cc1noc(-c2ccccc2)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126572259 823902639 /nfs/dbraw/zinc/90/26/39/823902639.db2.gz UNVSRHQKSDWKFX-HKUYNNGSSA-N 1 1 380.492 4.131 20 0 GIADMO COC(=O)c1cnc([C@@H](C)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000414075793 823902936 /nfs/dbraw/zinc/90/29/36/823902936.db2.gz XVHZUWLRARZDFV-JKSUJKDBSA-N 1 1 387.549 4.155 20 0 GIADMO O=C(Nc1ccc(O)c(Cl)c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000192210025 823903706 /nfs/dbraw/zinc/90/37/06/823903706.db2.gz PINQHHIMYUPGBP-UHFFFAOYSA-N 1 1 377.897 4.238 20 0 GIADMO Cc1cc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)cc(N2CCCC2)[nH+]1 ZINC000462264636 823905383 /nfs/dbraw/zinc/90/53/83/823905383.db2.gz YZUNSRMGPIYBQX-UHFFFAOYSA-N 1 1 382.483 4.004 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000064892348 823906585 /nfs/dbraw/zinc/90/65/85/823906585.db2.gz MPZCEWGWTMJWBE-UHFFFAOYSA-N 1 1 395.572 4.089 20 0 GIADMO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414087765 823906603 /nfs/dbraw/zinc/90/66/03/823906603.db2.gz IQMKFPNHNACWAH-KVJIRVJXSA-N 1 1 376.972 4.334 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccncc1C(F)(F)F ZINC000192226171 823908810 /nfs/dbraw/zinc/90/88/10/823908810.db2.gz OBXQRNCEGMWDES-QGZVFWFLSA-N 1 1 391.437 4.085 20 0 GIADMO Cc1cc(CNC(=O)N2CCCC[C@H]2Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000462275512 823909573 /nfs/dbraw/zinc/90/95/73/823909573.db2.gz GGKDNZFWJHLTSK-QFIPXVFZSA-N 1 1 392.547 4.297 20 0 GIADMO O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126616568 823912170 /nfs/dbraw/zinc/91/21/70/823912170.db2.gz QRYMEDTWKVPKJE-JXFKEZNVSA-N 1 1 394.540 4.068 20 0 GIADMO O=C(c1cccs1)c1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126616107 823912323 /nfs/dbraw/zinc/91/23/23/823912323.db2.gz QRYMEDTWKVPKJE-UZLBHIALSA-N 1 1 394.540 4.068 20 0 GIADMO O=C(Nc1cc(C2CCCC2)[nH]n1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000192244320 823914886 /nfs/dbraw/zinc/91/48/86/823914886.db2.gz GCUVJINGOFLAIL-UHFFFAOYSA-N 1 1 385.537 4.260 20 0 GIADMO Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC(F)F ZINC000575112575 823915480 /nfs/dbraw/zinc/91/54/80/823915480.db2.gz WNCLVVMBUJOUGC-KRWDZBQOSA-N 1 1 375.419 4.117 20 0 GIADMO Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC(F)F ZINC000575112575 823915490 /nfs/dbraw/zinc/91/54/90/823915490.db2.gz WNCLVVMBUJOUGC-KRWDZBQOSA-N 1 1 375.419 4.117 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC000192252277 823917644 /nfs/dbraw/zinc/91/76/44/823917644.db2.gz SZCVWEDQCGUUMX-UHFFFAOYSA-N 1 1 393.369 4.092 20 0 GIADMO CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000575139391 823921150 /nfs/dbraw/zinc/92/11/50/823921150.db2.gz JUHWARCATPCSHQ-QFIPXVFZSA-N 1 1 395.547 4.035 20 0 GIADMO C[NH+](C)[C@@H](C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccccc1 ZINC000170627376 823921326 /nfs/dbraw/zinc/92/13/26/823921326.db2.gz XQOYBNNIOZMIRR-HSZRJFAPSA-N 1 1 399.494 4.131 20 0 GIADMO CN(CCCc1cc(-c2ccccc2)no1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000170629666 823921842 /nfs/dbraw/zinc/92/18/42/823921842.db2.gz ZVJOQNBQPLZJKH-QFIPXVFZSA-N 1 1 377.488 4.036 20 0 GIADMO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000126669898 823923210 /nfs/dbraw/zinc/92/32/10/823923210.db2.gz ZJKGRYOZDKQAQG-FQEVSTJZSA-N 1 1 390.959 4.048 20 0 GIADMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000126669898 823923219 /nfs/dbraw/zinc/92/32/19/823923219.db2.gz ZJKGRYOZDKQAQG-FQEVSTJZSA-N 1 1 390.959 4.048 20 0 GIADMO COc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1Cl ZINC000414177505 823923262 /nfs/dbraw/zinc/92/32/62/823923262.db2.gz JQVOKTVHCXGMEG-WMLDXEAASA-N 1 1 375.900 4.075 20 0 GIADMO Ic1ccccc1[C@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000462322872 823924438 /nfs/dbraw/zinc/92/44/38/823924438.db2.gz RFLNHTXGRRUSCK-GOSISDBHSA-N 1 1 392.284 4.456 20 0 GIADMO CCC[N@H+](Cc1cncc(Br)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000170645235 823925108 /nfs/dbraw/zinc/92/51/08/823925108.db2.gz CJWMBBZDGVDBND-CQSZACIVSA-N 1 1 376.298 4.083 20 0 GIADMO CCC[N@@H+](Cc1cncc(Br)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000170645235 823925113 /nfs/dbraw/zinc/92/51/13/823925113.db2.gz CJWMBBZDGVDBND-CQSZACIVSA-N 1 1 376.298 4.083 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2Br)cc1OC ZINC000575152310 823925083 /nfs/dbraw/zinc/92/50/83/823925083.db2.gz RXKYHKMSVMKVQP-CXAGYDPISA-N 1 1 394.309 4.241 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000170647454 823925408 /nfs/dbraw/zinc/92/54/08/823925408.db2.gz YBMFPWQFOCPBCV-KRWDZBQOSA-N 1 1 387.549 4.081 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000170647454 823925415 /nfs/dbraw/zinc/92/54/15/823925415.db2.gz YBMFPWQFOCPBCV-KRWDZBQOSA-N 1 1 387.549 4.081 20 0 GIADMO Cc1[nH]c2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2c1C ZINC000065018845 823926040 /nfs/dbraw/zinc/92/60/40/823926040.db2.gz WUSIGVVZSZDAIY-OAQYLSRUSA-N 1 1 390.531 4.249 20 0 GIADMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(Cl)c1 ZINC000462328589 823926524 /nfs/dbraw/zinc/92/65/24/823926524.db2.gz VAWWBZPMTBMGBZ-KSSFIOAISA-N 1 1 398.981 4.071 20 0 GIADMO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651077 823927367 /nfs/dbraw/zinc/92/73/67/823927367.db2.gz ATDPQGTXPLSPGG-MRXNPFEDSA-N 1 1 385.483 4.128 20 0 GIADMO Cc1nc(-c2ccc(CNC(=O)CC[N@H+](C)C3CCCCC3)s2)cs1 ZINC000575176296 823931949 /nfs/dbraw/zinc/93/19/49/823931949.db2.gz NNTVOVFUBSDTCZ-UHFFFAOYSA-N 1 1 377.579 4.451 20 0 GIADMO CC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)c1ccccc1 ZINC000414223509 823933128 /nfs/dbraw/zinc/93/31/28/823933128.db2.gz OZHWBEAHNLREGW-IRXDYDNUSA-N 1 1 394.334 4.409 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cs1)c1c(C)cc(C)cc1C ZINC000575188511 823934272 /nfs/dbraw/zinc/93/42/72/823934272.db2.gz KMRUCPBFENGKJN-TZIWHRDSSA-N 1 1 399.560 4.410 20 0 GIADMO COc1ccc([C@@H](Cc2ccccc2)NC(=O)N2CCC[N@H+](C(C)C)CC2)cc1 ZINC000462347317 823934400 /nfs/dbraw/zinc/93/44/00/823934400.db2.gz IAKNFWQLOSNZBR-HSZRJFAPSA-N 1 1 395.547 4.105 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000414233315 823935232 /nfs/dbraw/zinc/93/52/32/823935232.db2.gz DYCLIMRAUAKQTA-KRWDZBQOSA-N 1 1 394.334 4.020 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000414237878 823936757 /nfs/dbraw/zinc/93/67/57/823936757.db2.gz LTAXPTRTJJTJEK-QGZVFWFLSA-N 1 1 394.334 4.020 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](Oc3ccc(Cl)cc3)c3ccccc3)C2)C1 ZINC000575201522 823937355 /nfs/dbraw/zinc/93/73/55/823937355.db2.gz BAHLCPAVIWSJDB-IRLDBZIGSA-N 1 1 384.907 4.014 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](c3ccccc3)C(C)C)CC2)cs1 ZINC000170684947 823938642 /nfs/dbraw/zinc/93/86/42/823938642.db2.gz TXRMNEAZDFMYJQ-NRFANRHFSA-N 1 1 385.577 4.220 20 0 GIADMO C[C@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000192298707 823938927 /nfs/dbraw/zinc/93/89/27/823938927.db2.gz NVFQFNUFQSJRAL-SNVBAGLBSA-N 1 1 399.347 4.205 20 0 GIADMO C[C@H](CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000192298707 823938936 /nfs/dbraw/zinc/93/89/36/823938936.db2.gz NVFQFNUFQSJRAL-SNVBAGLBSA-N 1 1 399.347 4.205 20 0 GIADMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000575213497 823941069 /nfs/dbraw/zinc/94/10/69/823941069.db2.gz FJTOEAHSWYECEL-DENIHFKCSA-N 1 1 381.520 4.106 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(C(C)(C)C)ccc3O)CC2)cs1 ZINC000170693521 823941814 /nfs/dbraw/zinc/94/18/14/823941814.db2.gz BXNUDMMXHMBYLO-UHFFFAOYSA-N 1 1 387.549 4.305 20 0 GIADMO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC000126763834 823945168 /nfs/dbraw/zinc/94/51/68/823945168.db2.gz XOSSGAJMVZPNMK-QZTJIDSGSA-N 1 1 385.527 4.388 20 0 GIADMO CS(=O)(=O)c1ccccc1C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000414264244 823945542 /nfs/dbraw/zinc/94/55/42/823945542.db2.gz TZNIGSSUZZOMIJ-SFHVURJKSA-N 1 1 399.434 4.230 20 0 GIADMO O=C(c1ccc(Sc2ccccn2)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126774683 823948061 /nfs/dbraw/zinc/94/80/61/823948061.db2.gz BHVLBFGSGIOHQL-NQIIRXRSSA-N 1 1 393.556 4.322 20 0 GIADMO Clc1cccc([C@@H]([NH2+]Cc2nnnn2C2CCOCC2)C2CCCCC2)c1 ZINC000575241343 823949995 /nfs/dbraw/zinc/94/99/95/823949995.db2.gz QMUFOJGOCVBBMB-FQEVSTJZSA-N 1 1 389.931 4.089 20 0 GIADMO Cc1oc(-c2cccs2)nc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000065140338 823949960 /nfs/dbraw/zinc/94/99/60/823949960.db2.gz OSCRYLJTTDIEGS-YOEHRIQHSA-N 1 1 381.501 4.277 20 0 GIADMO COCCCC[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccccc1 ZINC000065165103 823955522 /nfs/dbraw/zinc/95/55/22/823955522.db2.gz AUAMOIBXDBVODR-FQEVSTJZSA-N 1 1 380.532 4.283 20 0 GIADMO O=C1CC[C@@H](c2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)N1 ZINC000414310441 823955640 /nfs/dbraw/zinc/95/56/40/823955640.db2.gz HNEIIPUSLKDSTL-GPJHCHHRSA-N 1 1 375.516 4.245 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000462390883 823956890 /nfs/dbraw/zinc/95/68/90/823956890.db2.gz ZSBDQJFTDCNTJT-UHFFFAOYSA-N 1 1 393.457 4.258 20 0 GIADMO 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GIADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)C2 ZINC001164447472 718993021 /nfs/dbraw/zinc/99/30/21/718993021.db2.gz BQUXIHGVNIRQLR-UHFFFAOYSA-N 1 1 393.800 4.006 20 0 GIADMO FC(F)(c1ccnc(Cl)c1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621308 719053890 /nfs/dbraw/zinc/05/38/90/719053890.db2.gz INZXGUUSESEJFD-SJLPKXTDSA-N 1 1 377.866 4.381 20 0 GIADMO Clc1ccnc2nc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc12 ZINC001164628880 719083538 /nfs/dbraw/zinc/08/35/38/719083538.db2.gz UEWIOCFUQMYGCR-YLJYHZDGSA-N 1 1 378.907 4.384 20 0 GIADMO Cc1nc(-c2ccccn2)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1C ZINC001164623526 719105147 /nfs/dbraw/zinc/10/51/47/719105147.db2.gz DLBDXODRUKZDQD-FYYLOGMGSA-N 1 1 399.542 4.256 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@@H](C)C[N@@H+]1C ZINC001164636689 719170845 /nfs/dbraw/zinc/17/08/45/719170845.db2.gz MZINISVKFQXZOQ-ZJUUUORDSA-N 1 1 375.250 4.010 20 0 GIADMO C[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(Cl)ccc3n2)[C@@H](C)C[N@H+]1C 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FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723628 720337872 /nfs/dbraw/zinc/33/78/72/720337872.db2.gz IFSCLUDQBQAJOM-GJZGRUSLSA-N 1 1 399.272 4.182 20 0 GIADMO FC(F)(c1cc(Cl)nc(Cl)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723628 720337881 /nfs/dbraw/zinc/33/78/81/720337881.db2.gz IFSCLUDQBQAJOM-GJZGRUSLSA-N 1 1 399.272 4.182 20 0 GIADMO CC(C)(C)c1cc2ncnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2s1 ZINC001164726589 720358112 /nfs/dbraw/zinc/35/81/12/720358112.db2.gz PWQHANPNNKZKJV-QZTJIDSGSA-N 1 1 393.560 4.237 20 0 GIADMO Fc1cc2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2cc1Cl ZINC001164727488 720469540 /nfs/dbraw/zinc/46/95/40/720469540.db2.gz NCNVLIYHFDRPBN-WOJBJXKFSA-N 1 1 382.870 4.276 20 0 GIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729054 720472123 /nfs/dbraw/zinc/47/21/23/720472123.db2.gz QXCWLACJXVEWAE-WBAXXEDZSA-N 1 1 385.943 4.200 20 0 GIADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729052 720472860 /nfs/dbraw/zinc/47/28/60/720472860.db2.gz QXCWLACJXVEWAE-QGTPRVQTSA-N 1 1 385.943 4.200 20 0 GIADMO Cc1cccc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nc12 ZINC001164833260 720506995 /nfs/dbraw/zinc/50/69/95/720506995.db2.gz CKJPKRAWFGARDL-BHIFYINESA-N 1 1 389.547 4.118 20 0 GIADMO Cc1cc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834432 720522904 /nfs/dbraw/zinc/52/29/04/720522904.db2.gz GJHNABNELMSXGN-MQSCRBSSSA-N 1 1 389.547 4.118 20 0 GIADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3occc31)CC2 ZINC001164839893 720658033 /nfs/dbraw/zinc/65/80/33/720658033.db2.gz KQBNJLHFWNWRGY-LJQANCHMSA-N 1 1 377.488 4.088 20 0 GIADMO Cc1nc(C(C)C)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840487 720663704 /nfs/dbraw/zinc/66/37/04/720663704.db2.gz MUIKRFARLZWNEQ-NRFANRHFSA-N 1 1 394.563 4.168 20 0 GIADMO Cc1c[nH]c2nc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)ccc12 ZINC001164842739 720679817 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ZINC001165027198 721807364 /nfs/dbraw/zinc/80/73/64/721807364.db2.gz UFPZHCVXPRSQMV-IOMROCGXSA-N 1 1 375.520 4.003 20 0 GIADMO Cc1cccc2ncnc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c12 ZINC001165027659 721814146 /nfs/dbraw/zinc/81/41/46/721814146.db2.gz VKWKYRLWMQPCGY-VCOUNFBDSA-N 1 1 387.531 4.070 20 0 GIADMO CC(C)Oc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026163 721815467 /nfs/dbraw/zinc/81/54/67/721815467.db2.gz PIXMMAHZJFDBKN-VLCRHTCISA-N 1 1 380.536 4.001 20 0 GIADMO CC(C)Oc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026163 721815469 /nfs/dbraw/zinc/81/54/69/721815469.db2.gz PIXMMAHZJFDBKN-VLCRHTCISA-N 1 1 380.536 4.001 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4[nH]ccc4cc3Cl)C[C@H]21 ZINC001165028181 721816771 /nfs/dbraw/zinc/81/67/71/721816771.db2.gz WMGILWNXFZUBKS-YVWKXTFCSA-N 1 1 395.938 4.300 20 0 GIADMO CC(C)Sc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nn1 ZINC001165026215 721827238 /nfs/dbraw/zinc/82/72/38/721827238.db2.gz OHLIEEBYVZPPBD-YSIASYRMSA-N 1 1 397.592 4.109 20 0 GIADMO CC(C)c1c(Cl)ncnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165020644 721829677 /nfs/dbraw/zinc/82/96/77/721829677.db2.gz DAPVTNAJZUSJJT-UHOSZYNNSA-N 1 1 399.970 4.385 20 0 GIADMO CCc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(Cl)nc1C ZINC001165029619 721831422 /nfs/dbraw/zinc/83/14/22/721831422.db2.gz XGZXAKDXBHYJEQ-XKGZKEIXSA-N 1 1 399.970 4.133 20 0 GIADMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C(C)C)cn4)CC3)C2)cc1 ZINC001164940488 721927420 /nfs/dbraw/zinc/92/74/20/721927420.db2.gz RQGHIVIJLIIKTB-UHFFFAOYSA-N 1 1 379.548 4.385 20 0 GIADMO Cc1ccc(CN2CCOC3(CCN(c4cc5[nH]ccc5c(C)[nH+]4)CC3)C2)cc1 ZINC001164939625 721929797 /nfs/dbraw/zinc/92/97/97/721929797.db2.gz NGFMCRQFUBMNBM-UHFFFAOYSA-N 1 1 390.531 4.051 20 0 GIADMO Clc1cc2[nH]ccc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953848 722014328 /nfs/dbraw/zinc/01/43/28/722014328.db2.gz ZLBLSYMODMTDMM-UHFFFAOYSA-N 1 1 381.911 4.104 20 0 GIADMO Fc1cccc2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001164955430 722020457 /nfs/dbraw/zinc/02/04/57/722020457.db2.gz GKRHKZVFRVYHPI-UHFFFAOYSA-N 1 1 376.479 4.261 20 0 GIADMO c1ccc(-c2cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ncn2)cc1 ZINC001164955685 722021148 /nfs/dbraw/zinc/02/11/48/722021148.db2.gz NDWRRQBLEARUDM-UHFFFAOYSA-N 1 1 385.515 4.031 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncnc4ccc(F)cc42)C3)c1 ZINC001164994723 722193482 /nfs/dbraw/zinc/19/34/82/722193482.db2.gz PLCAQUFGLAQSIL-JOCHJYFZSA-N 1 1 380.442 4.153 20 0 GIADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(Cl)nc4c2CCC4)C3)c1 ZINC001164993278 722193866 /nfs/dbraw/zinc/19/38/66/722193866.db2.gz DZWWZWBSCAETIV-OAQYLSRUSA-N 1 1 386.902 4.003 20 0 GIADMO Cc1nc2ccc(F)cc2c(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995464 722196370 /nfs/dbraw/zinc/19/63/70/722196370.db2.gz VAIHRVJESFYVEV-HSZRJFAPSA-N 1 1 394.469 4.461 20 0 GIADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nncc4ccc(F)cc42)C3)c1 ZINC001164994460 722202247 /nfs/dbraw/zinc/20/22/47/722202247.db2.gz HHTNGABELHGKKW-QFIPXVFZSA-N 1 1 380.442 4.153 20 0 GIADMO Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(-c2ccco2)n1 ZINC001164994049 722209966 /nfs/dbraw/zinc/20/99/66/722209966.db2.gz DXQOFTUIYLZQFD-HSZRJFAPSA-N 1 1 392.478 4.429 20 0 GIADMO Cc1onc(-c2ccccc2C)c1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000570493489 823046061 /nfs/dbraw/zinc/04/60/61/823046061.db2.gz RXRGMZYHVQUJRD-UHFFFAOYSA-N 1 1 390.487 4.192 20 0 GIADMO CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000175821632 823048164 /nfs/dbraw/zinc/04/81/64/823048164.db2.gz GQACCTYXXJFVJC-PMACEKPBSA-N 1 1 386.561 4.222 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1Cl ZINC000175823987 823048624 /nfs/dbraw/zinc/04/86/24/823048624.db2.gz ASTZGOKNPYVBNS-DAYGRLMNSA-N 1 1 392.952 4.167 20 0 GIADMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(C(F)(F)F)c1)CC2 ZINC000187359219 823049410 /nfs/dbraw/zinc/04/94/10/823049410.db2.gz AYMALUKEXLYAJY-JKSUJKDBSA-N 1 1 377.834 4.111 20 0 GIADMO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175829497 823049731 /nfs/dbraw/zinc/04/97/31/823049731.db2.gz QBXCCPZKRCARIW-HIFRSBDPSA-N 1 1 398.981 4.010 20 0 GIADMO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175829497 823049736 /nfs/dbraw/zinc/04/97/36/823049736.db2.gz QBXCCPZKRCARIW-HIFRSBDPSA-N 1 1 398.981 4.010 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)CC[N@H+]2C2CC2)c1 ZINC000570535893 823051071 /nfs/dbraw/zinc/05/10/71/823051071.db2.gz BXYGNDVUMUJJIS-WTLGNFPFSA-N 1 1 396.453 4.068 20 0 GIADMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000187369220 823051256 /nfs/dbraw/zinc/05/12/56/823051256.db2.gz QYIBAMFIMNVKDB-HXUWFJFHSA-N 1 1 380.467 4.477 20 0 GIADMO C[C@H]1C[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](c2ccsc2)O1 ZINC000120719974 823052068 /nfs/dbraw/zinc/05/20/68/823052068.db2.gz ULTPFYVZUDNTPL-MAUKXSAKSA-N 1 1 380.554 4.157 20 0 GIADMO C[N@@H+](CCC1CCOCC1)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000120727290 823053290 /nfs/dbraw/zinc/05/32/90/823053290.db2.gz DKGUGSNHDRTQOE-UHFFFAOYSA-N 1 1 379.298 4.353 20 0 GIADMO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000120728370 823053498 /nfs/dbraw/zinc/05/34/98/823053498.db2.gz RKMCIMDYJXIPIY-ZSZQSSIHSA-N 1 1 391.353 4.028 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc3c2OCC3)[C@H]1c1ccccc1 ZINC000570590280 823058437 /nfs/dbraw/zinc/05/84/37/823058437.db2.gz JYVFZGLRCZPPGM-YLJYHZDGSA-N 1 1 384.907 4.088 20 0 GIADMO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)c1noc2ccc(Cl)cc21 ZINC000570561172 823055115 /nfs/dbraw/zinc/05/51/15/823055115.db2.gz YGCWVCSJDBEAKP-KBPBESRZSA-N 1 1 394.903 4.295 20 0 GIADMO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)c1noc2ccc(Cl)cc21 ZINC000570561172 823055119 /nfs/dbraw/zinc/05/51/19/823055119.db2.gz YGCWVCSJDBEAKP-KBPBESRZSA-N 1 1 394.903 4.295 20 0 GIADMO CC(=O)Nc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)cs1 ZINC000175857139 823056657 /nfs/dbraw/zinc/05/66/57/823056657.db2.gz GZUYVZRUFQZFMR-HOTGVXAUSA-N 1 1 379.551 4.031 20 0 GIADMO CC(=O)Nc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)cs1 ZINC000175857139 823056662 /nfs/dbraw/zinc/05/66/62/823056662.db2.gz GZUYVZRUFQZFMR-HOTGVXAUSA-N 1 1 379.551 4.031 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)NC2CCC(C(F)F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000458570425 823057750 /nfs/dbraw/zinc/05/77/50/823057750.db2.gz CNLDFNREDYDALL-MHVXSEJMSA-N 1 1 385.886 4.208 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NC2CCC(C(F)F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000458570425 823057753 /nfs/dbraw/zinc/05/77/53/823057753.db2.gz CNLDFNREDYDALL-MHVXSEJMSA-N 1 1 385.886 4.208 20 0 GIADMO CC(C)[N@H+]1CC[C@H](CNCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000570587839 823058134 /nfs/dbraw/zinc/05/81/34/823058134.db2.gz RMYHRUQBQPLRJG-CQSZACIVSA-N 1 1 394.382 4.393 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](c2c(F)cccc2F)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187410931 823058372 /nfs/dbraw/zinc/05/83/72/823058372.db2.gz MKYYGGCPIDZFTB-BBWFWOEESA-N 1 1 391.506 4.117 20 0 GIADMO COc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c(OC)c1 ZINC000570617643 823063193 /nfs/dbraw/zinc/06/31/93/823063193.db2.gz BVTRJZSQGSCLKF-UONOGXRCSA-N 1 1 395.931 4.132 20 0 GIADMO Cc1cccnc1[C@H]([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)C(C)C ZINC000120784726 823063412 /nfs/dbraw/zinc/06/34/12/823063412.db2.gz XAGFFCNFHWDINI-GOSISDBHSA-N 1 1 380.517 4.099 20 0 GIADMO CCCOc1c(Br)cc(C[N@@H+](C)CCc2ccccn2)cc1OC ZINC000120804026 823067586 /nfs/dbraw/zinc/06/75/86/823067586.db2.gz MBQQIDSQTUVFRH-UHFFFAOYSA-N 1 1 393.325 4.316 20 0 GIADMO COc1cccc2c(N3CCC[C@@H](c4nnc5n4CCCCC5)C3)cc(C)[nH+]c12 ZINC000120785791 823063672 /nfs/dbraw/zinc/06/36/72/823063672.db2.gz WVXAWYARQXFDNC-QGZVFWFLSA-N 1 1 391.519 4.254 20 0 GIADMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000055902116 823063935 /nfs/dbraw/zinc/06/39/35/823063935.db2.gz MPFQTPWCZDMRMX-MRXNPFEDSA-N 1 1 379.460 4.045 20 0 GIADMO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458634409 823067870 /nfs/dbraw/zinc/06/78/70/823067870.db2.gz QAXCERMOFLIBNT-VGWMRTNUSA-N 1 1 375.479 4.012 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1OC ZINC000055927474 823067949 /nfs/dbraw/zinc/06/79/49/823067949.db2.gz QMRYXHLNFRTWHC-WOJBJXKFSA-N 1 1 386.536 4.022 20 0 GIADMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000120814695 823069497 /nfs/dbraw/zinc/06/94/97/823069497.db2.gz HOBDBHYSMSSBKS-JTSKRJEESA-N 1 1 377.532 4.404 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)[C@H](C)C1 ZINC000120819612 823070890 /nfs/dbraw/zinc/07/08/90/823070890.db2.gz YOSGVRHKULZKCQ-GDBMZVCRSA-N 1 1 387.446 4.130 20 0 GIADMO C[C@H](CCCc1cccnc1)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458661345 823071125 /nfs/dbraw/zinc/07/11/25/823071125.db2.gz DYAMASVTOYCKRD-QTEQDKRBSA-N 1 1 394.563 4.003 20 0 GIADMO C[C@H](Cc1cccc(F)c1)N(C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458681323 823073430 /nfs/dbraw/zinc/07/34/30/823073430.db2.gz NSRWQVLIPMWENV-DXIQSLLYSA-N 1 1 397.538 4.309 20 0 GIADMO Cc1ccc2snc(C(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)c2c1 ZINC000570704230 823073698 /nfs/dbraw/zinc/07/36/98/823073698.db2.gz NTOFIYUBKVYSBU-QGZVFWFLSA-N 1 1 379.529 4.341 20 0 GIADMO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120853916 823077085 /nfs/dbraw/zinc/07/70/85/823077085.db2.gz MKZNBMFEEJZLSX-HIFRSBDPSA-N 1 1 399.470 4.497 20 0 GIADMO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000120853916 823077090 /nfs/dbraw/zinc/07/70/90/823077090.db2.gz MKZNBMFEEJZLSX-HIFRSBDPSA-N 1 1 399.470 4.497 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120847642 823075950 /nfs/dbraw/zinc/07/59/50/823075950.db2.gz UYJGIHLVVAKWPI-HNNXBMFYSA-N 1 1 384.499 4.022 20 0 GIADMO COc1ccc2c(c1)oc(C(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)c2-c1ccccc1 ZINC000055996717 823076400 /nfs/dbraw/zinc/07/64/00/823076400.db2.gz DHWWQZTXOMVMSF-VQTJNVASSA-N 1 1 390.483 4.465 20 0 GIADMO Cc1cc(Br)cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000187508595 823077525 /nfs/dbraw/zinc/07/75/25/823077525.db2.gz QDIDRMPTIRQWNZ-KSSFIOAISA-N 1 1 392.341 4.238 20 0 GIADMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)nc1 ZINC000570735605 823078415 /nfs/dbraw/zinc/07/84/15/823078415.db2.gz SQZJHVQCUKOSQA-QGZVFWFLSA-N 1 1 391.437 4.133 20 0 GIADMO Cn1cc([C@@H]2C[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2(C)C)cn1 ZINC000570735901 823078569 /nfs/dbraw/zinc/07/85/69/823078569.db2.gz AGCMLIJUDIXPGR-VXKWHMMOSA-N 1 1 388.515 4.226 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC000570756144 823081658 /nfs/dbraw/zinc/08/16/58/823081658.db2.gz UKPOQCKEADBZBJ-GCJKJVERSA-N 1 1 375.520 4.058 20 0 GIADMO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000570756144 823081663 /nfs/dbraw/zinc/08/16/63/823081663.db2.gz UKPOQCKEADBZBJ-GCJKJVERSA-N 1 1 375.520 4.058 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000570756144 823081668 /nfs/dbraw/zinc/08/16/68/823081668.db2.gz UKPOQCKEADBZBJ-GCJKJVERSA-N 1 1 375.520 4.058 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000120870791 823080118 /nfs/dbraw/zinc/08/01/18/823080118.db2.gz TUFMUNDTWFTMJF-IYBDPMFKSA-N 1 1 377.488 4.338 20 0 GIADMO Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000120870791 823080122 /nfs/dbraw/zinc/08/01/22/823080122.db2.gz TUFMUNDTWFTMJF-IYBDPMFKSA-N 1 1 377.488 4.338 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3C[C@H](c4cccc(C(F)(F)F)c4)C3)C2)C1 ZINC000458744752 823080487 /nfs/dbraw/zinc/08/04/87/823080487.db2.gz WQMPPTNQWBSTKY-YVWKXTFCSA-N 1 1 395.469 4.079 20 0 GIADMO CCC[C@H]1CN(C(=O)c2cncc(C(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000570754106 823081157 /nfs/dbraw/zinc/08/11/57/823081157.db2.gz LUAGHDOOCGOXAY-IBGZPJMESA-N 1 1 391.437 4.227 20 0 GIADMO CO[C@@H](C)c1cccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175956491 823082031 /nfs/dbraw/zinc/08/20/31/823082031.db2.gz ZHHIMVAJQWOHSU-AZUAARDMSA-N 1 1 381.520 4.380 20 0 GIADMO O=C(NCc1nccc2ccccc21)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000175971873 823085472 /nfs/dbraw/zinc/08/54/72/823085472.db2.gz LZMJVZKLXARUEB-QFIPXVFZSA-N 1 1 377.463 4.045 20 0 GIADMO O=C(NCc1nccc2ccccc21)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175971873 823085475 /nfs/dbraw/zinc/08/54/75/823085475.db2.gz LZMJVZKLXARUEB-QFIPXVFZSA-N 1 1 377.463 4.045 20 0 GIADMO Cc1cc(CNC(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000458787035 823085717 /nfs/dbraw/zinc/08/57/17/823085717.db2.gz KXYJKANQWMGWFD-FCHUYYIVSA-N 1 1 392.547 4.468 20 0 GIADMO Cc1cc(C)cc(OCc2noc(C[N@@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)n2)c1 ZINC000570796038 823088710 /nfs/dbraw/zinc/08/87/10/823088710.db2.gz HQXBNAPNZCOCLT-QFIPXVFZSA-N 1 1 397.519 4.047 20 0 GIADMO Cc1cc(C)cc(OCc2noc(C[N@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)n2)c1 ZINC000570796038 823088716 /nfs/dbraw/zinc/08/87/16/823088716.db2.gz HQXBNAPNZCOCLT-QFIPXVFZSA-N 1 1 397.519 4.047 20 0 GIADMO c1[nH]c(-c2ccccc2)nc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000175985992 823088971 /nfs/dbraw/zinc/08/89/71/823088971.db2.gz VFXRFNUQSGDCSB-UHFFFAOYSA-N 1 1 375.472 4.407 20 0 GIADMO C[C@H](NCc1ccccc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000120934545 823089138 /nfs/dbraw/zinc/08/91/38/823089138.db2.gz CENPSXPLMTWLGY-HNNXBMFYSA-N 1 1 377.326 4.240 20 0 GIADMO Cc1nc(COC(C)(C)C)oc1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000570805506 823089468 /nfs/dbraw/zinc/08/94/68/823089468.db2.gz JBEHZUBFCVKDCM-QHCPKHFHSA-N 1 1 399.535 4.083 20 0 GIADMO C[C@@H](NCc1ccccc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000120938410 823089818 /nfs/dbraw/zinc/08/98/18/823089818.db2.gz IHHZUHOXYGBAIR-OAHLLOKOSA-N 1 1 377.326 4.240 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2C2CC2)CC1 ZINC000570808938 823089978 /nfs/dbraw/zinc/08/99/78/823089978.db2.gz CNVZAPKHAIWFDB-UHFFFAOYSA-N 1 1 399.558 4.291 20 0 GIADMO CCc1ccccc1OCCC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570811978 823090654 /nfs/dbraw/zinc/09/06/54/823090654.db2.gz WOIKJEXJXAARLO-UGKGYDQZSA-N 1 1 380.532 4.045 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccc(N3CCCC3)nc2)cc1 ZINC000175996210 823091408 /nfs/dbraw/zinc/09/14/08/823091408.db2.gz MDHNJXYDMQVRSG-INIZCTEOSA-N 1 1 390.491 4.059 20 0 GIADMO CCCOc1ccc([C@H](C)[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1OC ZINC000056161952 823093143 /nfs/dbraw/zinc/09/31/43/823093143.db2.gz PBKODYLHANJLFZ-AOMKIAJQSA-N 1 1 382.504 4.155 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccccc1SC(F)(F)F ZINC000056166451 823094084 /nfs/dbraw/zinc/09/40/84/823094084.db2.gz IGGPGFSAKOZJRX-UHFFFAOYSA-N 1 1 386.464 4.148 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccccc1SC(F)(F)F ZINC000056166451 823094088 /nfs/dbraw/zinc/09/40/88/823094088.db2.gz IGGPGFSAKOZJRX-UHFFFAOYSA-N 1 1 386.464 4.148 20 0 GIADMO CCOc1cccc([C@H](C)NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000176012209 823095521 /nfs/dbraw/zinc/09/55/21/823095521.db2.gz LVQNGTPPYNKLGO-FPOVZHCZSA-N 1 1 395.547 4.310 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1OC ZINC000056182186 823097489 /nfs/dbraw/zinc/09/74/89/823097489.db2.gz LFHCFADQQQXMPR-VGOFRKELSA-N 1 1 382.504 4.108 20 0 GIADMO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000187618796 823098771 /nfs/dbraw/zinc/09/87/71/823098771.db2.gz SEANSVAJEBLYJU-QHCPKHFHSA-N 1 1 396.487 4.018 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000187618796 823098775 /nfs/dbraw/zinc/09/87/75/823098775.db2.gz SEANSVAJEBLYJU-QHCPKHFHSA-N 1 1 396.487 4.018 20 0 GIADMO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000187618813 823098814 /nfs/dbraw/zinc/09/88/14/823098814.db2.gz SEANSVAJEBLYJU-HSZRJFAPSA-N 1 1 396.487 4.018 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000187618813 823098816 /nfs/dbraw/zinc/09/88/16/823098816.db2.gz SEANSVAJEBLYJU-HSZRJFAPSA-N 1 1 396.487 4.018 20 0 GIADMO Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cccc1C(=O)Nc1ccccc1 ZINC000570887507 823102508 /nfs/dbraw/zinc/10/25/08/823102508.db2.gz DYXURAGGJSFWPX-INIZCTEOSA-N 1 1 382.508 4.098 20 0 GIADMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000187653609 823105802 /nfs/dbraw/zinc/10/58/02/823105802.db2.gz ADYJBTSWJOHPPY-UHFFFAOYSA-N 1 1 399.844 4.486 20 0 GIADMO CCCn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000121033528 823106253 /nfs/dbraw/zinc/10/62/53/823106253.db2.gz GZSSKFZVJAUPOH-UHFFFAOYSA-N 1 1 382.552 4.061 20 0 GIADMO Cc1ccc(CCCC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000176049868 823106679 /nfs/dbraw/zinc/10/66/79/823106679.db2.gz MXQUVSJZVKPXKT-UHFFFAOYSA-N 1 1 389.565 4.012 20 0 GIADMO Cc1cc(-c2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2C(C)C)c2ccccc2n1 ZINC000570917441 823107452 /nfs/dbraw/zinc/10/74/52/823107452.db2.gz COSXMNHNQMVXOX-GOSISDBHSA-N 1 1 390.535 4.057 20 0 GIADMO COc1ccc2c(c1)c(C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c(C)n2C1CCCC1 ZINC000121050783 823109400 /nfs/dbraw/zinc/10/94/00/823109400.db2.gz YTWRIPNQSSADMD-GOSISDBHSA-N 1 1 397.563 4.487 20 0 GIADMO C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CC[N@H+](C2CCC2)C1 ZINC000458940388 823109451 /nfs/dbraw/zinc/10/94/51/823109451.db2.gz FXOZYAIRNDGQCA-ZOBUZTSGSA-N 1 1 375.479 4.013 20 0 GIADMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(F)c2ccccc21 ZINC000570960852 823112251 /nfs/dbraw/zinc/11/22/51/823112251.db2.gz JQDQVZDPKOVNRJ-MJGOQNOKSA-N 1 1 391.490 4.463 20 0 GIADMO Cc1nc2ccccn2c(=O)c1CC[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000570976063 823114460 /nfs/dbraw/zinc/11/44/60/823114460.db2.gz YZGWQZOQJYYRLN-MRXNPFEDSA-N 1 1 381.907 4.424 20 0 GIADMO CC[C@@H](C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000570980328 823115021 /nfs/dbraw/zinc/11/50/21/823115021.db2.gz VYSVSJJVGSLDGA-QHCPKHFHSA-N 1 1 393.531 4.047 20 0 GIADMO CCC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1)C(C)(C)C ZINC000459003528 823115170 /nfs/dbraw/zinc/11/51/70/823115170.db2.gz LWUPDLRTNJQJBK-YSIASYRMSA-N 1 1 391.604 4.049 20 0 GIADMO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1NC(=O)c1cccs1 ZINC000121084264 823115525 /nfs/dbraw/zinc/11/55/25/823115525.db2.gz WWIYQEMCYCMLHV-KRWDZBQOSA-N 1 1 399.560 4.159 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC000459008574 823116184 /nfs/dbraw/zinc/11/61/84/823116184.db2.gz LYAPBIAACRRZSL-LIRRHRJNSA-N 1 1 381.923 4.304 20 0 GIADMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187709831 823117816 /nfs/dbraw/zinc/11/78/16/823117816.db2.gz CWGVLNADRWYZHN-SNVBAGLBSA-N 1 1 375.881 4.315 20 0 GIADMO CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCOC3(CCC3)C2)CC1)CC(C)C ZINC000459021907 823117983 /nfs/dbraw/zinc/11/79/83/823117983.db2.gz OUTBVSMKMPKTBU-NRFANRHFSA-N 1 1 393.616 4.125 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCOC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000459022869 823118078 /nfs/dbraw/zinc/11/80/78/823118078.db2.gz PCNUZGWJVCKFPZ-HJNYFJLDSA-N 1 1 399.579 4.030 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000176100665 823120261 /nfs/dbraw/zinc/12/02/61/823120261.db2.gz MTBUHKRZZSEYOE-APWZRJJASA-N 1 1 390.449 4.417 20 0 GIADMO COc1c(Cl)cccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000056287390 823121565 /nfs/dbraw/zinc/12/15/65/823121565.db2.gz CZSUZTSDIWJXFG-GASCZTMLSA-N 1 1 388.895 4.210 20 0 GIADMO COc1c(Cl)cccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000056287390 823121569 /nfs/dbraw/zinc/12/15/69/823121569.db2.gz CZSUZTSDIWJXFG-GASCZTMLSA-N 1 1 388.895 4.210 20 0 GIADMO O=C(Nc1cccc(Oc2cnccn2)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121131722 823123669 /nfs/dbraw/zinc/12/36/69/823123669.db2.gz CLSBHUYHGMZMMK-OAQYLSRUSA-N 1 1 388.471 4.262 20 0 GIADMO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3=CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000187749574 823124994 /nfs/dbraw/zinc/12/49/94/823124994.db2.gz KYTVCJWEHLCVDU-RXVVDRJESA-N 1 1 391.600 4.186 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000176115612 823125036 /nfs/dbraw/zinc/12/50/36/823125036.db2.gz PJNRPRMTSCSKAY-NLWGTHIKSA-N 1 1 398.572 4.345 20 0 GIADMO CSc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1Cl ZINC000571053877 823125564 /nfs/dbraw/zinc/12/55/64/823125564.db2.gz JWKOUOYYSOYBHW-OAHLLOKOSA-N 1 1 375.925 4.308 20 0 GIADMO CSc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1Cl ZINC000571053876 823125576 /nfs/dbraw/zinc/12/55/76/823125576.db2.gz JWKOUOYYSOYBHW-HNNXBMFYSA-N 1 1 375.925 4.308 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176117618 823126191 /nfs/dbraw/zinc/12/61/91/823126191.db2.gz NOBUOMUDXSGIGG-UZLBHIALSA-N 1 1 390.449 4.417 20 0 GIADMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000121147757 823127061 /nfs/dbraw/zinc/12/70/61/823127061.db2.gz WRGMHVGMIKNLJO-UHFFFAOYSA-N 1 1 386.858 4.063 20 0 GIADMO Cc1cnc(C2CCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)CC2)s1 ZINC000571076572 823128460 /nfs/dbraw/zinc/12/84/60/823128460.db2.gz LVKXVVCDGFJIQH-YLJYHZDGSA-N 1 1 398.576 4.004 20 0 GIADMO C[C@@H]1C[NH+](Cc2ccccc2NCc2nnc(-c3ccccc3)s2)C[C@@H](C)O1 ZINC000121153170 823128543 /nfs/dbraw/zinc/12/85/43/823128543.db2.gz CFZPFWPIMKZCOE-IAGOWNOFSA-N 1 1 394.544 4.426 20 0 GIADMO CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H](C)Cc1ccsc1 ZINC000187775400 823130323 /nfs/dbraw/zinc/13/03/23/823130323.db2.gz RVPNKUPUMNAAKA-ZDUSSCGKSA-N 1 1 396.940 4.310 20 0 GIADMO CCN(C(=O)NC[C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459129114 823131877 /nfs/dbraw/zinc/13/18/77/823131877.db2.gz DGLNSDPFYHYLCK-SFHLNBCPSA-N 1 1 387.568 4.059 20 0 GIADMO Cc1cc2cc(NC(=O)N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000176134745 823132346 /nfs/dbraw/zinc/13/23/46/823132346.db2.gz BQWLUHPSDQHMFG-IBGZPJMESA-N 1 1 376.504 4.462 20 0 GIADMO Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121177453 823132964 /nfs/dbraw/zinc/13/29/64/823132964.db2.gz XWWKLVKOEZDYAM-YJBOKZPZSA-N 1 1 375.900 4.001 20 0 GIADMO C[C@@H](CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC000571112132 823133943 /nfs/dbraw/zinc/13/39/43/823133943.db2.gz NYZLEAGQAVSABH-YADARESESA-N 1 1 380.507 4.444 20 0 GIADMO C[N@@H+](CCCCNC(=O)N1CCC(c2nc3ccccc3s2)CC1)C1CC1 ZINC000459141043 823134098 /nfs/dbraw/zinc/13/40/98/823134098.db2.gz FAOCMDDXERHSKC-UHFFFAOYSA-N 1 1 386.565 4.060 20 0 GIADMO CN(C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459143464 823134386 /nfs/dbraw/zinc/13/43/86/823134386.db2.gz PVWFIQWONFOGNX-KWVUDZMESA-N 1 1 375.944 4.243 20 0 GIADMO COc1cc([C@@H](C)[NH2+][C@@H](C)c2nccnc2C)ccc1OCc1ccncc1 ZINC000187794229 823134440 /nfs/dbraw/zinc/13/44/40/823134440.db2.gz FXQLJLPFTPDCRF-WBVHZDCISA-N 1 1 378.476 4.179 20 0 GIADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)NCC(C)(C)C2=CCCC2)CC1 ZINC000459181124 823139176 /nfs/dbraw/zinc/13/91/76/823139176.db2.gz SQMAJCIZCSJNQK-OAQYLSRUSA-N 1 1 384.568 4.214 20 0 GIADMO CCC(CC)n1nccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000121220971 823141258 /nfs/dbraw/zinc/14/12/58/823141258.db2.gz NFPQBEGUOIEKON-VCSGRIEYSA-N 1 1 380.536 4.170 20 0 GIADMO CCc1cccc2c1OCC[C@H]2NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000571150177 823141353 /nfs/dbraw/zinc/14/13/53/823141353.db2.gz VDUPVUMBYHTLJV-HXUWFJFHSA-N 1 1 395.503 4.029 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1F)[N@@H+]1CCc2sccc2C1 ZINC000056394235 823142366 /nfs/dbraw/zinc/14/23/66/823142366.db2.gz FNMVMMYTBXEZEO-CABCVRRESA-N 1 1 375.513 4.036 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1F)[N@H+]1CCc2sccc2C1 ZINC000056394235 823142369 /nfs/dbraw/zinc/14/23/69/823142369.db2.gz FNMVMMYTBXEZEO-CABCVRRESA-N 1 1 375.513 4.036 20 0 GIADMO FC(F)(F)c1ccccc1OCC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000187837434 823143316 /nfs/dbraw/zinc/14/33/16/823143316.db2.gz OOHPAVCINROEHE-UHFFFAOYSA-N 1 1 390.409 4.039 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000121234610 823144263 /nfs/dbraw/zinc/14/42/63/823144263.db2.gz DWVXTRWHYMALAQ-HXUWFJFHSA-N 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C[C@H]1CN(c2ccccc2CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCO1 ZINC000459465925 823198097 /nfs/dbraw/zinc/19/80/97/823198097.db2.gz QLFLMSTXORXCCW-INIZCTEOSA-N 1 1 376.504 4.288 20 0 GIADMO Cc1cc(F)c(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000459467815 823198430 /nfs/dbraw/zinc/19/84/30/823198430.db2.gz QKZDJVLVNZSCOB-GOSISDBHSA-N 1 1 376.903 4.034 20 0 GIADMO Cc1cc(F)c(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000459467816 823198654 /nfs/dbraw/zinc/19/86/54/823198654.db2.gz QKZDJVLVNZSCOB-SFHVURJKSA-N 1 1 376.903 4.034 20 0 GIADMO COc1cc(OC)cc([C@H]([NH2+]CCc2ccc(Cl)cc2)c2nccn2C)c1 ZINC000459472918 823199481 /nfs/dbraw/zinc/19/94/81/823199481.db2.gz XEFNGURAZXFXFX-FQEVSTJZSA-N 1 1 385.895 4.012 20 0 GIADMO CC[C@H](C)Oc1ccc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000056728915 823201345 /nfs/dbraw/zinc/20/13/45/823201345.db2.gz ZRESGNGJRDPSAP-SFHVURJKSA-N 1 1 397.519 4.018 20 0 GIADMO F[C@H](c1noc(Cn2c[nH+]c3c2CCCC3)n1)c1ccc(C(F)(F)F)cc1 ZINC000571566900 823201390 /nfs/dbraw/zinc/20/13/90/823201390.db2.gz UWYQHLVDIUMCNZ-INIZCTEOSA-N 1 1 380.345 4.271 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1)CC(F)(F)F ZINC000176406431 823201504 /nfs/dbraw/zinc/20/15/04/823201504.db2.gz PKCXADPLGZAFGD-AWEZNQCLSA-N 1 1 385.405 4.187 20 0 GIADMO Brc1cccc(OC2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)c1 ZINC000459483285 823201916 /nfs/dbraw/zinc/20/19/16/823201916.db2.gz MQXRBSFRKNABFA-UHFFFAOYSA-N 1 1 388.309 4.160 20 0 GIADMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC=C(c3ccccc3C(F)(F)F)CC1)C2 ZINC000571576104 823202985 /nfs/dbraw/zinc/20/29/85/823202985.db2.gz NPGBOIFVBZYQNR-INIZCTEOSA-N 1 1 389.421 4.089 20 0 GIADMO Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056752673 823206885 /nfs/dbraw/zinc/20/68/85/823206885.db2.gz IIBAHPMKJHWLMD-QHCPKHFHSA-N 1 1 393.531 4.239 20 0 GIADMO Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000056752629 823206911 /nfs/dbraw/zinc/20/69/11/823206911.db2.gz YPPWXDRCWQLBHM-QHCPKHFHSA-N 1 1 393.531 4.239 20 0 GIADMO CCN(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000188238337 823207874 /nfs/dbraw/zinc/20/78/74/823207874.db2.gz CRMXESNRQMEHBE-FCHUYYIVSA-N 1 1 376.504 4.145 20 0 GIADMO Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000056761238 823208498 /nfs/dbraw/zinc/20/84/98/823208498.db2.gz GYRGGTKBFNCBQU-IBGZPJMESA-N 1 1 381.520 4.095 20 0 GIADMO O=C(COc1ccccc1CNc1ccc([NH+]2CCCCC2)cc1)N1CCCC1 ZINC000121582375 823210566 /nfs/dbraw/zinc/21/05/66/823210566.db2.gz JPEROYMGVQKOFY-UHFFFAOYSA-N 1 1 393.531 4.290 20 0 GIADMO CCOc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc(Br)c1OC ZINC000188280557 823213679 /nfs/dbraw/zinc/21/36/79/823213679.db2.gz XLBCBLIWWQLXQD-QGZVFWFLSA-N 1 1 398.341 4.247 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)c3nc(C(C)(C)C)no3)C2)s1 ZINC000571645821 823213942 /nfs/dbraw/zinc/21/39/42/823213942.db2.gz ISQWZPRFVUDXOA-CVEARBPZSA-N 1 1 376.570 4.252 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)c3nc(C(C)(C)C)no3)C2)s1 ZINC000571645824 823213990 /nfs/dbraw/zinc/21/39/90/823213990.db2.gz ISQWZPRFVUDXOA-HZPDHXFCSA-N 1 1 376.570 4.252 20 0 GIADMO Cc1noc([C@@H]2CC[N@@H+](C/C=C/c3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000459538188 823214966 /nfs/dbraw/zinc/21/49/66/823214966.db2.gz SKTXJDCQIYZELB-WKOQKXSESA-N 1 1 375.472 4.460 20 0 GIADMO Cc1noc([C@H]2CC[N@@H+](C/C=C/c3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000459538183 823214984 /nfs/dbraw/zinc/21/49/84/823214984.db2.gz SKTXJDCQIYZELB-FERLCFGISA-N 1 1 375.472 4.460 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCSc2ccc(F)cc2)CC1 ZINC000056792641 823215028 /nfs/dbraw/zinc/21/50/28/823215028.db2.gz QDPTYGAMFXXBNJ-UHFFFAOYSA-N 1 1 381.561 4.070 20 0 GIADMO CCc1oc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cc1C(=O)OC ZINC000571660782 823215527 /nfs/dbraw/zinc/21/55/27/823215527.db2.gz MTNYPNBBPLDQOZ-INIZCTEOSA-N 1 1 394.471 4.453 20 0 GIADMO Oc1cccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1Br ZINC000459539556 823215659 /nfs/dbraw/zinc/21/56/59/823215659.db2.gz WEWBFOXXKDSJRJ-OAHLLOKOSA-N 1 1 390.325 4.067 20 0 GIADMO CC1(C)C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H]1[C@@H]1CCCO1 ZINC000459562881 823220768 /nfs/dbraw/zinc/22/07/68/823220768.db2.gz NQVOJUFHAVCFHC-UNMCSNQZSA-N 1 1 380.536 4.450 20 0 GIADMO CC1(C)C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H]1[C@H]1CCCO1 ZINC000459562239 823220901 /nfs/dbraw/zinc/22/09/01/823220901.db2.gz NQVOJUFHAVCFHC-IFMALSPDSA-N 1 1 380.536 4.450 20 0 GIADMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H](C)C1 ZINC000459563781 823221232 /nfs/dbraw/zinc/22/12/32/823221232.db2.gz VKNZFVYXUDBMLH-DNVFCKCGSA-N 1 1 393.579 4.222 20 0 GIADMO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1C(C)(C)C ZINC000409450981 823221305 /nfs/dbraw/zinc/22/13/05/823221305.db2.gz CQUUEACVCQNJJU-HKUYNNGSSA-N 1 1 382.552 4.327 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2ccc(C)cc2)cc1F ZINC000409456623 823223219 /nfs/dbraw/zinc/22/32/19/823223219.db2.gz HDPHYADVZJOXRE-UHFFFAOYSA-N 1 1 383.492 4.178 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCNC(=O)[C@@H]3CC=CCC3)cc2)C1 ZINC000409461174 823224745 /nfs/dbraw/zinc/22/47/45/823224745.db2.gz NPODEJPOJWLLGC-PZJWPPBQSA-N 1 1 397.563 4.110 20 0 GIADMO CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1)c1ccc(C)cc1 ZINC000571731927 823227061 /nfs/dbraw/zinc/22/70/61/823227061.db2.gz AOMLAUUXHFIUHF-PWRODBHTSA-N 1 1 399.560 4.262 20 0 GIADMO CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1)c1ccc(C)cc1 ZINC000571731927 823227066 /nfs/dbraw/zinc/22/70/66/823227066.db2.gz AOMLAUUXHFIUHF-PWRODBHTSA-N 1 1 399.560 4.262 20 0 GIADMO CCc1nnc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c2)o1 ZINC000176519218 823227766 /nfs/dbraw/zinc/22/77/66/823227766.db2.gz SGABOGIRICWJIJ-LJQANCHMSA-N 1 1 394.450 4.041 20 0 GIADMO CCc1nnc(-c2cccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)c2)o1 ZINC000176519218 823227772 /nfs/dbraw/zinc/22/77/72/823227772.db2.gz SGABOGIRICWJIJ-LJQANCHMSA-N 1 1 394.450 4.041 20 0 GIADMO Cc1noc(C2C[NH+](Cc3cn(-c4ccccc4Cl)nc3C(C)(C)C)C2)n1 ZINC000459606954 823228919 /nfs/dbraw/zinc/22/89/19/823228919.db2.gz MZWXCBUVWMKNIE-UHFFFAOYSA-N 1 1 385.899 4.114 20 0 GIADMO CC[C@@]1(CO)CCCN(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000188384894 823230899 /nfs/dbraw/zinc/23/08/99/823230899.db2.gz JUQRLKZILWKWLD-HSZRJFAPSA-N 1 1 387.568 4.468 20 0 GIADMO CCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000056908174 823231354 /nfs/dbraw/zinc/23/13/54/823231354.db2.gz XYGGMGOVDURZFS-IBGZPJMESA-N 1 1 396.535 4.032 20 0 GIADMO Cc1ccc(-c2csc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c3cncc(F)c3)n2)cc1 ZINC000459622690 823231396 /nfs/dbraw/zinc/23/13/96/823231396.db2.gz QHUFTULLMCARTJ-UONOGXRCSA-N 1 1 384.480 4.330 20 0 GIADMO COCC1(C)C[NH+](Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1 ZINC000459624006 823231645 /nfs/dbraw/zinc/23/16/45/823231645.db2.gz SBPADBIZIFWQMO-UHFFFAOYSA-N 1 1 375.896 4.396 20 0 GIADMO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1cccc(Br)c1 ZINC000459633059 823233418 /nfs/dbraw/zinc/23/34/18/823233418.db2.gz KFVZRKICWPUHRI-GHMZBOCLSA-N 1 1 394.338 4.072 20 0 GIADMO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)c1nc2c(s1)CCC2 ZINC000459633960 823233825 /nfs/dbraw/zinc/23/38/25/823233825.db2.gz GYKLARNTIBRYDN-CVEARBPZSA-N 1 1 383.561 4.110 20 0 GIADMO COc1ccc(C[C@H](C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000121703791 823233889 /nfs/dbraw/zinc/23/38/89/823233889.db2.gz ZQRZQVUNFZUVOM-KRWDZBQOSA-N 1 1 384.545 4.061 20 0 GIADMO Fc1ccc(-n2nccc2C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1 ZINC000459646083 823237443 /nfs/dbraw/zinc/23/74/43/823237443.db2.gz HWKVEKLMLWLDDL-GOSISDBHSA-N 1 1 397.416 4.192 20 0 GIADMO CC[N@H+]1CC[C@@H](CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C1 ZINC000056983725 823237812 /nfs/dbraw/zinc/23/78/12/823237812.db2.gz XEXXUHMXGGJPRZ-ZDUSSCGKSA-N 1 1 397.466 4.209 20 0 GIADMO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000121709865 823235048 /nfs/dbraw/zinc/23/50/48/823235048.db2.gz KKWKNRGCUWXBCH-QHCPKHFHSA-N 1 1 395.524 4.141 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459639950 823235138 /nfs/dbraw/zinc/23/51/38/823235138.db2.gz LBLAINUMZHGEOH-FUHWJXTLSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459639950 823235145 /nfs/dbraw/zinc/23/51/45/823235145.db2.gz LBLAINUMZHGEOH-FUHWJXTLSA-N 1 1 398.469 4.311 20 0 GIADMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000459640682 823235683 /nfs/dbraw/zinc/23/56/83/823235683.db2.gz XGAOTWRAQFRTRD-RYUDHWBXSA-N 1 1 393.940 4.280 20 0 GIADMO Fc1ccccc1Cc1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000571800757 823236187 /nfs/dbraw/zinc/23/61/87/823236187.db2.gz CKGFTCOLNFOSSJ-AUSIDOKSSA-N 1 1 377.463 4.353 20 0 GIADMO C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000571803564 823236690 /nfs/dbraw/zinc/23/66/90/823236690.db2.gz DPQHDEVOGYYNLS-LZFQIVBZSA-N 1 1 385.508 4.433 20 0 GIADMO C[C@H](Oc1ccc(C(C)(C)C)cc1)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000571803564 823236695 /nfs/dbraw/zinc/23/66/95/823236695.db2.gz DPQHDEVOGYYNLS-LZFQIVBZSA-N 1 1 385.508 4.433 20 0 GIADMO FC(F)OC[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000571805492 823236822 /nfs/dbraw/zinc/23/68/22/823236822.db2.gz FIHJDJJRPXDNRX-GOSISDBHSA-N 1 1 398.457 4.055 20 0 GIADMO C[N@H+](Cc1cccc(-c2ccncc2)c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000121730302 823238625 /nfs/dbraw/zinc/23/86/25/823238625.db2.gz JWIPZBBQXAHEKH-QFIPXVFZSA-N 1 1 393.556 4.315 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459651877 823239538 /nfs/dbraw/zinc/23/95/38/823239538.db2.gz ZPQXALVZJLHHLS-FUHWJXTLSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1C ZINC000459651877 823239542 /nfs/dbraw/zinc/23/95/42/823239542.db2.gz ZPQXALVZJLHHLS-FUHWJXTLSA-N 1 1 398.469 4.311 20 0 GIADMO Cc1cnccc1NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000121739745 823240624 /nfs/dbraw/zinc/24/06/24/823240624.db2.gz DNOFXVCDBWQOHR-UHFFFAOYSA-N 1 1 384.483 4.310 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459654336 823240856 /nfs/dbraw/zinc/24/08/56/823240856.db2.gz FEHMVKDEBGDEMK-QGZVFWFLSA-N 1 1 398.469 4.231 20 0 GIADMO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(C)c1 ZINC000459654336 823240861 /nfs/dbraw/zinc/24/08/61/823240861.db2.gz FEHMVKDEBGDEMK-QGZVFWFLSA-N 1 1 398.469 4.231 20 0 GIADMO CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459656715 823241905 /nfs/dbraw/zinc/24/19/05/823241905.db2.gz HMWYDFRSHVAQHQ-OAHLLOKOSA-N 1 1 379.463 4.179 20 0 GIADMO C[C@@H](c1ccc(NC(=O)N2CCc3cccc(F)c3[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000571842124 823243262 /nfs/dbraw/zinc/24/32/62/823243262.db2.gz PQGNEHCHOCQFAH-DLBZAZTESA-N 1 1 397.494 4.370 20 0 GIADMO Fc1ccccc1-n1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459662109 823244219 /nfs/dbraw/zinc/24/42/19/823244219.db2.gz NGHOIMMTSTWTKF-GOSISDBHSA-N 1 1 397.416 4.192 20 0 GIADMO Fc1ccccc1-n1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459662109 823244223 /nfs/dbraw/zinc/24/42/23/823244223.db2.gz NGHOIMMTSTWTKF-GOSISDBHSA-N 1 1 397.416 4.192 20 0 GIADMO COc1cccc(Cl)c1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188462598 823244272 /nfs/dbraw/zinc/24/42/72/823244272.db2.gz AYAQYEBKKCQMSH-CQSZACIVSA-N 1 1 378.875 4.175 20 0 GIADMO Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000571844704 823244374 /nfs/dbraw/zinc/24/43/74/823244374.db2.gz HNUKUXSBHQHUFF-CQSZACIVSA-N 1 1 394.441 4.081 20 0 GIADMO FC(F)(F)[C@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)CC12CCOCC2 ZINC000459662742 823244498 /nfs/dbraw/zinc/24/44/98/823244498.db2.gz NSXHFHPAUXAGPL-IBGZPJMESA-N 1 1 393.453 4.112 20 0 GIADMO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459663439 823244673 /nfs/dbraw/zinc/24/46/73/823244673.db2.gz OPPVLCWFJWKXPV-MRXNPFEDSA-N 1 1 386.458 4.440 20 0 GIADMO CCCOc1c(Br)cc(C[NH2+]Cc2cnc(C)o2)cc1OCC ZINC000459672383 823247747 /nfs/dbraw/zinc/24/77/47/823247747.db2.gz IFVGTQAJCDNUMB-UHFFFAOYSA-N 1 1 383.286 4.223 20 0 GIADMO Brc1cccc2c(NCCc3nnc4n3CCC4)cc(C3CC3)[nH+]c12 ZINC000571859782 823247130 /nfs/dbraw/zinc/24/71/30/823247130.db2.gz UUBCTXPUAODWCU-UHFFFAOYSA-N 1 1 398.308 4.067 20 0 GIADMO CCc1ccc([C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)C(C)C)cc1 ZINC000057128337 823252360 /nfs/dbraw/zinc/25/23/60/823252360.db2.gz BNHFPWBVCFQBAH-JOCHJYFZSA-N 1 1 391.519 4.335 20 0 GIADMO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)c1O ZINC000057086069 823248406 /nfs/dbraw/zinc/24/84/06/823248406.db2.gz CLJGFMVPAZVESG-UHFFFAOYSA-N 1 1 394.515 4.044 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3cc[nH]c(=O)c3c2)[C@H]1c1cccs1 ZINC000571876404 823249054 /nfs/dbraw/zinc/24/90/54/823249054.db2.gz RVKWOZYSEXXHSZ-KXBFYZLASA-N 1 1 396.516 4.207 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccncc1 ZINC000571889832 823250263 /nfs/dbraw/zinc/25/02/63/823250263.db2.gz GCAIPBYVJVSHKJ-OAQYLSRUSA-N 1 1 383.584 4.136 20 0 GIADMO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cc(Br)ccc2F)[C@@H]1O ZINC000459687301 823250535 /nfs/dbraw/zinc/25/05/35/823250535.db2.gz HLZIWTUIHWHZMD-HIFRSBDPSA-N 1 1 386.286 4.013 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cn1 ZINC000057127879 823252100 /nfs/dbraw/zinc/25/21/00/823252100.db2.gz DTMYRXWWLBQTTE-HNNXBMFYSA-N 1 1 389.459 4.225 20 0 GIADMO CCOC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000459700089 823253214 /nfs/dbraw/zinc/25/32/14/823253214.db2.gz DKSDMNYRMAWXAR-INIZCTEOSA-N 1 1 376.522 4.218 20 0 GIADMO CCOC[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000459700089 823253218 /nfs/dbraw/zinc/25/32/18/823253218.db2.gz DKSDMNYRMAWXAR-INIZCTEOSA-N 1 1 376.522 4.218 20 0 GIADMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459707656 823254608 /nfs/dbraw/zinc/25/46/08/823254608.db2.gz JMPJZSFCJKVSRF-QFIPXVFZSA-N 1 1 394.563 4.073 20 0 GIADMO CC[C@@H](c1nnc(SCc2cccc(C)n2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000571924587 823255000 /nfs/dbraw/zinc/25/50/00/823255000.db2.gz RELNROLOPMLYDR-IBGZPJMESA-N 1 1 397.548 4.284 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cnc(-c3ncccn3)s2)cc1 ZINC000121814812 823256638 /nfs/dbraw/zinc/25/66/38/823256638.db2.gz UMWVKTONGZBDEB-OAHLLOKOSA-N 1 1 393.516 4.227 20 0 GIADMO Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC000571938811 823257550 /nfs/dbraw/zinc/25/75/50/823257550.db2.gz BXDLYZAORHTGSY-LJQANCHMSA-N 1 1 388.471 4.038 20 0 GIADMO Cc1occc1-c1nnc(SCCCc2c[nH+]cn2C)n1-c1ccccc1 ZINC000571939998 823257561 /nfs/dbraw/zinc/25/75/61/823257561.db2.gz QVQUGRRIUNLCCS-UHFFFAOYSA-N 1 1 379.489 4.294 20 0 GIADMO COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000057173017 823258944 /nfs/dbraw/zinc/25/89/44/823258944.db2.gz QPPJMGQZFXRTRG-QGZVFWFLSA-N 1 1 376.460 4.033 20 0 GIADMO FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1 ZINC000459741486 823259166 /nfs/dbraw/zinc/25/91/66/823259166.db2.gz YJGXOGRBOWHNKV-DLBZAZTESA-N 1 1 377.410 4.096 20 0 GIADMO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000121838181 823260655 /nfs/dbraw/zinc/26/06/55/823260655.db2.gz ATCIBENXTLCDNH-RTWAWAEBSA-N 1 1 398.503 4.179 20 0 GIADMO C[C@H]([NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)c1ccn(C)n1 ZINC000459770559 823262862 /nfs/dbraw/zinc/26/28/62/823262862.db2.gz YRUYBJJVAVAXEN-HZMBPMFUSA-N 1 1 381.320 4.143 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@H+](Cc1nc(C)c(C)s1)C(C)C ZINC000411986599 823618099 /nfs/dbraw/zinc/61/80/99/823618099.db2.gz PRATWHDVYFCQAK-INIZCTEOSA-N 1 1 380.579 4.132 20 0 GIADMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC000409625102 823264937 /nfs/dbraw/zinc/26/49/37/823264937.db2.gz OGRHNGBIZHXBHG-BHIYHBOVSA-N 1 1 379.495 4.164 20 0 GIADMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1nc(C)c(C)s1)C(C)C ZINC000411986599 823618102 /nfs/dbraw/zinc/61/81/02/823618102.db2.gz PRATWHDVYFCQAK-INIZCTEOSA-N 1 1 380.579 4.132 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC(F)(F)C2)[C@H]1c1cccs1 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IGSHRQYZTCCQIP-NSHDSACASA-N 1 1 382.247 4.361 20 0 GIADMO CCc1nc(C[N@H+](C[C@H](O)COc2ccccc2SC)C(C)C)cs1 ZINC000411977858 823617448 /nfs/dbraw/zinc/61/74/48/823617448.db2.gz BQVMULVNSVBZRP-INIZCTEOSA-N 1 1 380.579 4.078 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000409629123 823266452 /nfs/dbraw/zinc/26/64/52/823266452.db2.gz GUTUPKCEDFBEAO-UXHICEINSA-N 1 1 393.522 4.366 20 0 GIADMO CCc1nc(C[N@@H+](C[C@H](O)COc2ccccc2SC)C(C)C)cs1 ZINC000411977858 823617449 /nfs/dbraw/zinc/61/74/49/823617449.db2.gz BQVMULVNSVBZRP-INIZCTEOSA-N 1 1 380.579 4.078 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000057223470 823266858 /nfs/dbraw/zinc/26/68/58/823266858.db2.gz DFFJQOLPYYUJAG-LLVKDONJSA-N 1 1 391.258 4.289 20 0 GIADMO O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000121881984 823269574 /nfs/dbraw/zinc/26/95/74/823269574.db2.gz DFCCNOYFOLIIIB-NRFANRHFSA-N 1 1 390.483 4.145 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CC[N@H+]1C ZINC000572018695 823269700 /nfs/dbraw/zinc/26/97/00/823269700.db2.gz MRLIJNFTGCNPAV-GXTWGEPZSA-N 1 1 378.929 4.410 20 0 GIADMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cnc(C(C)(C)C)nc3)C2)cc1 ZINC000572022928 823270352 /nfs/dbraw/zinc/27/03/52/823270352.db2.gz BRAWOXNJTMSYGL-GOSISDBHSA-N 1 1 395.551 4.116 20 0 GIADMO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000572023644 823270677 /nfs/dbraw/zinc/27/06/77/823270677.db2.gz VOTMXNSCNQHVPT-LBPRGKRZSA-N 1 1 393.318 4.355 20 0 GIADMO c1[nH+]c([C@H]2CCCN(c3cncc(OC4CCCCC4)n3)C2)n2c1CCCC2 ZINC000409642967 823271451 /nfs/dbraw/zinc/27/14/51/823271451.db2.gz AGWHSIWZMIEXRA-KRWDZBQOSA-N 1 1 381.524 4.105 20 0 GIADMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)[C@@H](C)C1 ZINC000572038868 823272571 /nfs/dbraw/zinc/27/25/71/823272571.db2.gz BLGHHFYIJZHAIB-IYBDPMFKSA-N 1 1 396.560 4.009 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 ZINC000121897449 823272683 /nfs/dbraw/zinc/27/26/83/823272683.db2.gz ANYGYNWLEIHPHH-UHFFFAOYSA-N 1 1 395.453 4.460 20 0 GIADMO Cc1ccc(NC(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1C ZINC000188621979 823274805 /nfs/dbraw/zinc/27/48/05/823274805.db2.gz NXVQNAJZBFHNFT-QGZVFWFLSA-N 1 1 379.504 4.241 20 0 GIADMO CCOc1cccc2cc([C@H](C)NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)oc21 ZINC000409647272 823273024 /nfs/dbraw/zinc/27/30/24/823273024.db2.gz HXTNJQGFSQWFJK-IRXDYDNUSA-N 1 1 392.499 4.456 20 0 GIADMO CCOc1cccc2cc([C@H](C)NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)oc21 ZINC000409647272 823273025 /nfs/dbraw/zinc/27/30/25/823273025.db2.gz HXTNJQGFSQWFJK-IRXDYDNUSA-N 1 1 392.499 4.456 20 0 GIADMO FC(F)c1nc2ccccc2c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000409654177 823274885 /nfs/dbraw/zinc/27/48/85/823274885.db2.gz XSWZGYVXTYODGT-AWEZNQCLSA-N 1 1 383.446 4.484 20 0 GIADMO O=C(c1cnc2c(F)ccc(F)c2c1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000460024128 823280398 /nfs/dbraw/zinc/28/03/98/823280398.db2.gz 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Cc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000460101139 823284583 /nfs/dbraw/zinc/28/45/83/823284583.db2.gz CJWUJUTXEMOBGB-AJSBUHFISA-N 1 1 377.532 4.220 20 0 GIADMO COc1ccc(C[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000121968241 823286221 /nfs/dbraw/zinc/28/62/21/823286221.db2.gz KZWMVISRUTZIGF-NNMXDRDESA-N 1 1 380.532 4.043 20 0 GIADMO COc1ccc(C[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000121968797 823286348 /nfs/dbraw/zinc/28/63/48/823286348.db2.gz KZWMVISRUTZIGF-IPJJNNNSSA-N 1 1 380.532 4.043 20 0 GIADMO CS(=O)(=O)c1ccc(Nc2ccc([NH+]3CCCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000007187482 817785433 /nfs/dbraw/zinc/78/54/33/817785433.db2.gz BPNKSYFSZIRSDT-UHFFFAOYSA-N 1 1 389.477 4.122 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@H](c3ccco3)C2)c1 ZINC000176774702 823290031 /nfs/dbraw/zinc/29/00/31/823290031.db2.gz ASNVPNDUHJEWOV-QHCPKHFHSA-N 1 1 390.483 4.125 20 0 GIADMO Cn1cc[nH+]c1CC1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000121998444 823290721 /nfs/dbraw/zinc/29/07/21/823290721.db2.gz STJOIMITKZKXBS-UHFFFAOYSA-N 1 1 387.483 4.139 20 0 GIADMO O=C(N[C@H](c1c(Cl)cccc1Cl)C1CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000460130079 823290931 /nfs/dbraw/zinc/29/09/31/823290931.db2.gz KTVBAKMWQUNCMM-LBTNJELSSA-N 1 1 382.335 4.371 20 0 GIADMO O=C(NCc1ccc(Cl)s1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460135749 823292541 /nfs/dbraw/zinc/29/25/41/823292541.db2.gz SMWQLUSCBZSQPN-SJORKVTESA-N 1 1 389.952 4.065 20 0 GIADMO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000007452534 817844678 /nfs/dbraw/zinc/84/46/78/817844678.db2.gz MNMDOSOTRNNHJP-UHFFFAOYSA-N 1 1 396.409 4.102 20 0 GIADMO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000007452534 817844685 /nfs/dbraw/zinc/84/46/85/817844685.db2.gz MNMDOSOTRNNHJP-UHFFFAOYSA-N 1 1 396.409 4.102 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC(C)C ZINC000572173519 823294529 /nfs/dbraw/zinc/29/45/29/823294529.db2.gz GRJXFUCXSQDUPX-GOSISDBHSA-N 1 1 397.519 4.221 20 0 GIADMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC(C)C ZINC000572173519 823294533 /nfs/dbraw/zinc/29/45/33/823294533.db2.gz GRJXFUCXSQDUPX-GOSISDBHSA-N 1 1 397.519 4.221 20 0 GIADMO Cc1cc([C@H](C)NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)o1 ZINC000460140208 823294535 /nfs/dbraw/zinc/29/45/35/823294535.db2.gz AFTDDFHJWSMALK-WMQCIHAUSA-N 1 1 381.520 4.121 20 0 GIADMO CCN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000460140242 823294947 /nfs/dbraw/zinc/29/49/47/823294947.db2.gz ASRZZCHCGLSSBJ-SFTDATJTSA-N 1 1 387.568 4.030 20 0 GIADMO COc1ccc(C[N@H+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000007682664 817894414 /nfs/dbraw/zinc/89/44/14/817894414.db2.gz SDGNZVITMJBZJI-XMMPIXPASA-N 1 1 388.511 4.227 20 0 GIADMO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000007682664 817894421 /nfs/dbraw/zinc/89/44/21/817894421.db2.gz SDGNZVITMJBZJI-XMMPIXPASA-N 1 1 388.511 4.227 20 0 GIADMO CCc1ccc(C[N@H+](C)CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000007683298 817894495 /nfs/dbraw/zinc/89/44/95/817894495.db2.gz QPLKFSURCJRSSN-UHFFFAOYSA-N 1 1 390.531 4.430 20 0 GIADMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000007683298 817894502 /nfs/dbraw/zinc/89/45/02/817894502.db2.gz QPLKFSURCJRSSN-UHFFFAOYSA-N 1 1 390.531 4.430 20 0 GIADMO Cc1cc(F)cc2c1CN(C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000409744171 823297212 /nfs/dbraw/zinc/29/72/12/823297212.db2.gz YQBKSEQGCDQBNV-GHTZIAJQSA-N 1 1 395.522 4.112 20 0 GIADMO O=C(/C=C/c1ccc[nH]1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000188768655 823300734 /nfs/dbraw/zinc/30/07/34/823300734.db2.gz OBDRBTACXQIZKI-ONEGZZNKSA-N 1 1 378.303 4.116 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Br)c1ccccc1Cl ZINC000007797916 817918404 /nfs/dbraw/zinc/91/84/04/817918404.db2.gz IVRUOSCXZDRKPT-INIZCTEOSA-N 1 1 381.701 4.135 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000460159667 823301682 /nfs/dbraw/zinc/30/16/82/823301682.db2.gz GGYACEUQRXAPFM-KRWDZBQOSA-N 1 1 396.457 4.167 20 0 GIADMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000007915359 817957522 /nfs/dbraw/zinc/95/75/22/817957522.db2.gz QUZMJXYZFCWATQ-CYBMUJFWSA-N 1 1 395.728 4.412 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000007915359 817957530 /nfs/dbraw/zinc/95/75/30/817957530.db2.gz QUZMJXYZFCWATQ-CYBMUJFWSA-N 1 1 395.728 4.412 20 0 GIADMO CC(C)c1cc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c2ccccc2n1 ZINC000122049425 823298876 /nfs/dbraw/zinc/29/88/76/823298876.db2.gz QAYOOSPYXWEBSF-UHFFFAOYSA-N 1 1 376.504 4.187 20 0 GIADMO C[N@@H+]1CC[C@H](NC(=O)NCC2CCC(F)(F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000409757215 823299989 /nfs/dbraw/zinc/29/99/89/823299989.db2.gz FHCLHAKEXXGVLL-DLBZAZTESA-N 1 1 385.886 4.210 20 0 GIADMO C[N@H+]1CC[C@H](NC(=O)NCC2CCC(F)(F)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000409757215 823299997 /nfs/dbraw/zinc/29/99/97/823299997.db2.gz FHCLHAKEXXGVLL-DLBZAZTESA-N 1 1 385.886 4.210 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)CCc1n[nH]c2ccccc21)c1noc(Cc2ccccc2)n1 ZINC000572205545 823299992 /nfs/dbraw/zinc/29/99/92/823299992.db2.gz NZFKBMWMHCCMKM-JKSUJKDBSA-N 1 1 375.476 4.209 20 0 GIADMO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000008126373 818004517 /nfs/dbraw/zinc/00/45/17/818004517.db2.gz YLKAFQOUDWYUJX-QFIPXVFZSA-N 1 1 393.531 4.117 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000572232835 823305454 /nfs/dbraw/zinc/30/54/54/823305454.db2.gz DRKAEPLMRUKGCE-UONOGXRCSA-N 1 1 380.414 4.068 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000572232835 823305460 /nfs/dbraw/zinc/30/54/60/823305460.db2.gz DRKAEPLMRUKGCE-UONOGXRCSA-N 1 1 380.414 4.068 20 0 GIADMO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c(Br)c1 ZINC000008241705 818021861 /nfs/dbraw/zinc/02/18/61/818021861.db2.gz INQSPFXCISVHSQ-NSHDSACASA-N 1 1 383.236 4.325 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000011165897 818058400 /nfs/dbraw/zinc/05/84/00/818058400.db2.gz OHDCJVHUQQOXSI-HNNXBMFYSA-N 1 1 391.284 4.439 20 0 GIADMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000011165897 818058408 /nfs/dbraw/zinc/05/84/08/818058408.db2.gz OHDCJVHUQQOXSI-HNNXBMFYSA-N 1 1 391.284 4.439 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000122126420 823310224 /nfs/dbraw/zinc/31/02/24/823310224.db2.gz CCCKTAFPHHYISZ-ICSRJNTNSA-N 1 1 382.508 4.088 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCc3cc(Cl)c(Cl)cc3[C@@H]1C)CC2 ZINC000572293658 823314878 /nfs/dbraw/zinc/31/48/78/823314878.db2.gz HEKPIEPLUCSQOU-SMDDNHRTSA-N 1 1 378.303 4.207 20 0 GIADMO COCC[N@H+](C)CCCC1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000122135886 823311540 /nfs/dbraw/zinc/31/15/40/823311540.db2.gz ZBFXFEDDNMPJTM-UHFFFAOYSA-N 1 1 389.515 4.051 20 0 GIADMO COCC[N@@H+](C)CCCC1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000122135886 823311543 /nfs/dbraw/zinc/31/15/43/823311543.db2.gz ZBFXFEDDNMPJTM-UHFFFAOYSA-N 1 1 389.515 4.051 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)[C@H](C)C1 ZINC000122143963 823312674 /nfs/dbraw/zinc/31/26/74/823312674.db2.gz GZQHNYKHDLGGOL-APWZRJJASA-N 1 1 385.577 4.158 20 0 GIADMO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000122146940 823312904 /nfs/dbraw/zinc/31/29/04/823312904.db2.gz MVOOUPPHMZALSR-RVKKMQEKSA-N 1 1 383.458 4.140 20 0 GIADMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)N2CCc3sccc3C2)s1 ZINC000122149143 823313089 /nfs/dbraw/zinc/31/30/89/823313089.db2.gz AQOVDPCNTCSALK-AWEZNQCLSA-N 1 1 377.579 4.043 20 0 GIADMO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)oc2ccccc23)C[C@H](C)O1 ZINC000057598370 823313237 /nfs/dbraw/zinc/31/32/37/823313237.db2.gz PRZZDNNINKQNAH-IYBDPMFKSA-N 1 1 381.476 4.207 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)c2scnc2C(C)(C)C)[C@H]1c1cccs1 ZINC000176898858 823320278 /nfs/dbraw/zinc/32/02/78/823320278.db2.gz PDKNWAQEZWZREL-HIFRSBDPSA-N 1 1 377.579 4.315 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000176876422 823315724 /nfs/dbraw/zinc/31/57/24/823315724.db2.gz XMMPZMORZQXNLS-UHFFFAOYSA-N 1 1 375.900 4.377 20 0 GIADMO C[N@@H+](Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)CC1(O)CCOCC1 ZINC000188840703 823315964 /nfs/dbraw/zinc/31/59/64/823315964.db2.gz JMIFZVHLSLOQGH-UHFFFAOYSA-N 1 1 385.451 4.407 20 0 GIADMO CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc(OCC)cc2)cc1 ZINC000057626746 823316372 /nfs/dbraw/zinc/31/63/72/823316372.db2.gz OJLSSSLKZWABTM-QHCPKHFHSA-N 1 1 396.531 4.280 20 0 GIADMO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1C(C)C ZINC000057642960 823317262 /nfs/dbraw/zinc/31/72/62/823317262.db2.gz LGGGBUMBVVHIKF-KDURUIRLSA-N 1 1 397.563 4.225 20 0 GIADMO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1C(C)C ZINC000057642960 823317269 /nfs/dbraw/zinc/31/72/69/823317269.db2.gz LGGGBUMBVVHIKF-KDURUIRLSA-N 1 1 397.563 4.225 20 0 GIADMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000122187258 823318578 /nfs/dbraw/zinc/31/85/78/823318578.db2.gz FQSOVRMLXLROQQ-IBGZPJMESA-N 1 1 390.487 4.204 20 0 GIADMO C[N@H+](Cc1c(-c2ccccc2)nc2sccn12)C[C@@H]1COc2ccccc2O1 ZINC000014214518 818228796 /nfs/dbraw/zinc/22/87/96/818228796.db2.gz SSKZJGGEPFUHRP-QGZVFWFLSA-N 1 1 391.496 4.335 20 0 GIADMO C[N@@H+](CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2)C1CCCC1 ZINC000014703288 818259814 /nfs/dbraw/zinc/25/98/14/818259814.db2.gz NEXPRKWQRAELGM-UHFFFAOYSA-N 1 1 383.561 4.430 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409845793 823323767 /nfs/dbraw/zinc/32/37/67/823323767.db2.gz RYCTYJYEDJJUST-VPWXQRGCSA-N 1 1 396.934 4.041 20 0 GIADMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000409845791 823323928 /nfs/dbraw/zinc/32/39/28/823323928.db2.gz RYCTYJYEDJJUST-MDYRTPRTSA-N 1 1 396.934 4.041 20 0 GIADMO CC1=CC[N@@H+](CCNC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000460230117 823324512 /nfs/dbraw/zinc/32/45/12/823324512.db2.gz PSIVEUGPHQSZBR-UHFFFAOYSA-N 1 1 381.442 4.031 20 0 GIADMO C[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)[N@@H+](C)C1CC1 ZINC000057715262 823324609 /nfs/dbraw/zinc/32/46/09/823324609.db2.gz HIKHJGRPVIBOBJ-INIZCTEOSA-N 1 1 375.472 4.221 20 0 GIADMO Cc1cc(CNC(=O)NC2(c3ccc(Cl)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000460233081 823325489 /nfs/dbraw/zinc/32/54/89/823325489.db2.gz UYBXXPZLJCPLJE-UHFFFAOYSA-N 1 1 384.911 4.132 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000409850031 823325679 /nfs/dbraw/zinc/32/56/79/823325679.db2.gz RPXDCHHJRMQPPX-LPHOPBHVSA-N 1 1 377.513 4.375 20 0 GIADMO CCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cs1 ZINC000122280813 823331831 /nfs/dbraw/zinc/33/18/31/823331831.db2.gz PYJQRKOGMRCHOT-KGLIPLIRSA-N 1 1 383.521 4.321 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460237672 823327139 /nfs/dbraw/zinc/32/71/39/823327139.db2.gz VLFHHSBSQWCPDW-ZDUSSCGKSA-N 1 1 375.847 4.280 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1oc(CC(C)C)nc1C ZINC000188913061 823327462 /nfs/dbraw/zinc/32/74/62/823327462.db2.gz AIBSGDOVRPIHNC-FQEVSTJZSA-N 1 1 383.536 4.166 20 0 GIADMO C[C@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000409857433 823327733 /nfs/dbraw/zinc/32/77/33/823327733.db2.gz LCPXPBHZWGNWRE-NSHDSACASA-N 1 1 375.387 4.099 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000015300275 818309300 /nfs/dbraw/zinc/30/93/00/818309300.db2.gz QFLJPVVETRBDPB-CYBMUJFWSA-N 1 1 380.460 4.469 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000015300275 818309307 /nfs/dbraw/zinc/30/93/07/818309307.db2.gz QFLJPVVETRBDPB-CYBMUJFWSA-N 1 1 380.460 4.469 20 0 GIADMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCCCSc2ccccc2)cc1 ZINC000015300735 818309346 /nfs/dbraw/zinc/30/93/46/818309346.db2.gz HGPMZBBWKJHUOB-NRFANRHFSA-N 1 1 384.545 4.131 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000015509404 818332205 /nfs/dbraw/zinc/33/22/05/818332205.db2.gz CIMPJUNRTLCKFM-NEPJUHHUSA-N 1 1 380.847 4.174 20 0 GIADMO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2cc(=O)n3ccsc3n2)s1 ZINC000015523009 818334003 /nfs/dbraw/zinc/33/40/03/818334003.db2.gz KNWDWDPFUINZGD-UHFFFAOYSA-N 1 1 395.553 4.371 20 0 GIADMO CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000176938842 823329363 /nfs/dbraw/zinc/32/93/63/823329363.db2.gz WZOSYIYPTUEBGH-RBUKOAKNSA-N 1 1 393.622 4.421 20 0 GIADMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccc2ccccc2c1 ZINC000015550635 818337774 /nfs/dbraw/zinc/33/77/74/818337774.db2.gz SGYSHUSNEUGCOG-UHFFFAOYSA-N 1 1 387.483 4.129 20 0 GIADMO C[C@H](C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)[NH+]1CC(C)C1 ZINC000572376662 823329581 /nfs/dbraw/zinc/32/95/81/823329581.db2.gz PRVFKJMTHZKSKB-CQSZACIVSA-N 1 1 386.883 4.263 20 0 GIADMO Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1NC(=O)C[NH+]1CCCCC1 ZINC000122263965 823329648 /nfs/dbraw/zinc/32/96/48/823329648.db2.gz VBUZXMBHNZGWTO-UHFFFAOYSA-N 1 1 397.544 4.222 20 0 GIADMO CCCn1c(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c2cc(OC)ccc21 ZINC000122282908 823332147 /nfs/dbraw/zinc/33/21/47/823332147.db2.gz YAZGLUMAQJCKFM-OXJNMPFZSA-N 1 1 385.552 4.171 20 0 GIADMO C[C@@H](c1nn(CN2CCC(C)CC2)c(=S)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000016080945 818389815 /nfs/dbraw/zinc/38/98/15/818389815.db2.gz JZFSFMIEVDYJED-HNNXBMFYSA-N 1 1 393.988 4.369 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2ccccc2c1)c1cccs1 ZINC000016204123 818406205 /nfs/dbraw/zinc/40/62/05/818406205.db2.gz FKKTVELNOHGNMW-LJQANCHMSA-N 1 1 380.513 4.283 20 0 GIADMO Cc1ccc(OC(F)F)c([C@H](C)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000122305633 823335498 /nfs/dbraw/zinc/33/54/98/823335498.db2.gz XPZQRPYAYQRMTR-INIZCTEOSA-N 1 1 378.463 4.388 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339563 818426095 /nfs/dbraw/zinc/42/60/95/818426095.db2.gz IZFVUHRLRMFEOC-OAQYLSRUSA-N 1 1 394.515 4.032 20 0 GIADMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339563 818426101 /nfs/dbraw/zinc/42/61/01/818426101.db2.gz IZFVUHRLRMFEOC-OAQYLSRUSA-N 1 1 394.515 4.032 20 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20 0 GIADMO COc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000016634465 818461061 /nfs/dbraw/zinc/46/10/61/818461061.db2.gz ZSOGNAPFVBLXSH-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO O=C(CCCC[NH+]1CCOCC1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000572438081 823339126 /nfs/dbraw/zinc/33/91/26/823339126.db2.gz AEHVHDCBSKOOCS-OEIFXAAASA-N 1 1 376.566 4.035 20 0 GIADMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000572446518 823340848 /nfs/dbraw/zinc/34/08/48/823340848.db2.gz YNFGUIHRRUYAHN-BBATYDOGSA-N 1 1 395.334 4.412 20 0 GIADMO CCc1ccc2c(C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)cc(=O)oc2c1 ZINC000017306003 818506817 /nfs/dbraw/zinc/50/68/17/818506817.db2.gz DEUDBQZMJPHQQL-MRXNPFEDSA-N 1 1 388.471 4.129 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305814 818506994 /nfs/dbraw/zinc/50/69/94/818506994.db2.gz MTLDDVDJSTXLEX-KRWDZBQOSA-N 1 1 391.519 4.024 20 0 GIADMO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000017305814 818507001 /nfs/dbraw/zinc/50/70/01/818507001.db2.gz MTLDDVDJSTXLEX-KRWDZBQOSA-N 1 1 391.519 4.024 20 0 GIADMO Cc1c(O)ccc2c(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)cc(=O)oc12 ZINC000017308104 818507112 /nfs/dbraw/zinc/50/71/12/818507112.db2.gz DLPMOQSJBLXARB-INIZCTEOSA-N 1 1 385.485 4.050 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000057850918 823341317 /nfs/dbraw/zinc/34/13/17/823341317.db2.gz AOJDUWUHHKYCEQ-UONOGXRCSA-N 1 1 380.410 4.125 20 0 GIADMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000057850918 823341321 /nfs/dbraw/zinc/34/13/21/823341321.db2.gz AOJDUWUHHKYCEQ-UONOGXRCSA-N 1 1 380.410 4.125 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)C1 ZINC000176984299 823342438 /nfs/dbraw/zinc/34/24/38/823342438.db2.gz HPUNGZBNNROLMQ-SFHVURJKSA-N 1 1 379.504 4.113 20 0 GIADMO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000057874052 823343411 /nfs/dbraw/zinc/34/34/11/823343411.db2.gz PMIORJMSMUPQJR-NSHDSACASA-N 1 1 380.275 4.241 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000057873800 823343708 /nfs/dbraw/zinc/34/37/08/823343708.db2.gz KTOGFAHSQLQEAP-NSHDSACASA-N 1 1 383.275 4.300 20 0 GIADMO CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC[NH+]1CCC1 ZINC000572461809 823344346 /nfs/dbraw/zinc/34/43/46/823344346.db2.gz YIBGMNSXIVBEHZ-UHFFFAOYSA-N 1 1 382.291 4.036 20 0 GIADMO CC(=O)N1CC[C@@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)c2ccccc21 ZINC000572492561 823349314 /nfs/dbraw/zinc/34/93/14/823349314.db2.gz GAWWWWYHEZQOKZ-MRXNPFEDSA-N 1 1 382.357 4.312 20 0 GIADMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3)nc2C)CC1 ZINC000018110800 818546800 /nfs/dbraw/zinc/54/68/00/818546800.db2.gz KXGAAENHBZQMEW-UHFFFAOYSA-N 1 1 385.511 4.323 20 0 GIADMO COc1ccccc1-c1nc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cs1 ZINC000057886736 823345084 /nfs/dbraw/zinc/34/50/84/823345084.db2.gz YSUSAWMIEFOYRW-UHFFFAOYSA-N 1 1 399.560 4.043 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000189046771 823347606 /nfs/dbraw/zinc/34/76/06/823347606.db2.gz QPICRBQQWLDXLJ-IBGZPJMESA-N 1 1 399.501 4.486 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000572483950 823347728 /nfs/dbraw/zinc/34/77/28/823347728.db2.gz FINNHKSEBDLMFM-IERDGZPVSA-N 1 1 389.503 4.429 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ocnc3-c3ccccc3)C2)s1 ZINC000572489079 823348394 /nfs/dbraw/zinc/34/83/94/823348394.db2.gz BQFBJQXGGCTMMV-KRWDZBQOSA-N 1 1 395.528 4.306 20 0 GIADMO C[C@@H](CCNC(=O)c1c(F)cccc1Br)[N@@H+](C)Cc1ccccc1 ZINC000177023782 823352036 /nfs/dbraw/zinc/35/20/36/823352036.db2.gz MHBDBVKCVBWBCF-AWEZNQCLSA-N 1 1 393.300 4.229 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc(Br)c(F)cc1F ZINC000189077190 823353000 /nfs/dbraw/zinc/35/30/00/823353000.db2.gz MXQBCIZFYLWRBU-LLVKDONJSA-N 1 1 390.272 4.065 20 0 GIADMO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(OCCCOC)CC1 ZINC000122432098 823353054 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CN(C(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000572504499 823350722 /nfs/dbraw/zinc/35/07/22/823350722.db2.gz TZTNIDKTAALQAX-GPXNEJASSA-N 1 1 396.506 4.017 20 0 GIADMO CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000177019590 823350675 /nfs/dbraw/zinc/35/06/75/823350675.db2.gz NFTQRPSXYPWJAJ-UTKZUKDTSA-N 1 1 394.519 4.128 20 0 GIADMO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)cc1OC ZINC000122454710 823356859 /nfs/dbraw/zinc/35/68/59/823356859.db2.gz RLIOVNGPURSVDA-CABCVRRESA-N 1 1 377.456 4.280 20 0 GIADMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc2ccccc21 ZINC000021580914 818707963 /nfs/dbraw/zinc/70/79/63/818707963.db2.gz ZQAVAVLZUQONST-UHFFFAOYSA-N 1 1 376.456 4.072 20 0 GIADMO Fc1ccccc1-c1noc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000189099888 823357657 /nfs/dbraw/zinc/35/76/57/823357657.db2.gz XZSYMMUJSACBTP-UHFFFAOYSA-N 1 1 395.434 4.206 20 0 GIADMO O=C(NCCc1cccs1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000189100138 823357756 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20 0 GIADMO Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cnn1C1CCCCC1 ZINC000572554425 823360047 /nfs/dbraw/zinc/36/00/47/823360047.db2.gz WPZLLTRVRHQLCN-GCJKJVERSA-N 1 1 380.536 4.090 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1 ZINC000021918366 818755714 /nfs/dbraw/zinc/75/57/14/818755714.db2.gz RFWJKHIGTWNQHS-UHFFFAOYSA-N 1 1 379.273 4.439 20 0 GIADMO CN(C)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000122485703 823361575 /nfs/dbraw/zinc/36/15/75/823361575.db2.gz DOIXQXYJCDZWHL-UHFFFAOYSA-N 1 1 386.927 4.146 20 0 GIADMO CN(C)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000122485703 823361581 /nfs/dbraw/zinc/36/15/81/823361581.db2.gz DOIXQXYJCDZWHL-UHFFFAOYSA-N 1 1 386.927 4.146 20 0 GIADMO COc1ccc(-c2nc(C[NH+]3CCC([C@H]4CCCO4)CC3)cs2)c(OC)c1 ZINC000189124573 823360863 /nfs/dbraw/zinc/36/08/63/823360863.db2.gz MQXKAENBCXOEGZ-LJQANCHMSA-N 1 1 388.533 4.218 20 0 GIADMO CC(=O)c1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000122481587 823360881 /nfs/dbraw/zinc/36/08/81/823360881.db2.gz FMRHAIOCPWXBLO-HSZRJFAPSA-N 1 1 376.431 4.346 20 0 GIADMO COc1ccc([C@H](C)CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000177065647 823362790 /nfs/dbraw/zinc/36/27/90/823362790.db2.gz FPBDMCGAFMYDKM-CDMIOBSGSA-N 1 1 386.561 4.450 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)cc1Cn1cccn1 ZINC000122500863 823363686 /nfs/dbraw/zinc/36/36/86/823363686.db2.gz DENCBSKVDQZGKP-HZPDHXFCSA-N 1 1 383.467 4.500 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000460365073 823364708 /nfs/dbraw/zinc/36/47/08/823364708.db2.gz NKBZVZFWDYBFAQ-GUYCJALGSA-N 1 1 389.293 4.198 20 0 GIADMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000460365073 823364714 /nfs/dbraw/zinc/36/47/14/823364714.db2.gz NKBZVZFWDYBFAQ-GUYCJALGSA-N 1 1 389.293 4.198 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000460367119 823365288 /nfs/dbraw/zinc/36/52/88/823365288.db2.gz UZCIDYLLZCFJCO-SUMWQHHRSA-N 1 1 379.382 4.002 20 0 GIADMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000460367119 823365291 /nfs/dbraw/zinc/36/52/91/823365291.db2.gz UZCIDYLLZCFJCO-SUMWQHHRSA-N 1 1 379.382 4.002 20 0 GIADMO O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CCc2sccc2C1 ZINC000022549883 818824076 /nfs/dbraw/zinc/82/40/76/818824076.db2.gz YONFYPRJDLFKBD-GOSISDBHSA-N 1 1 381.497 4.338 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000409996406 823366557 /nfs/dbraw/zinc/36/65/57/823366557.db2.gz FFGJSIXKNZUIIZ-HNNXBMFYSA-N 1 1 375.513 4.108 20 0 GIADMO COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(Br)cc2)c(OC)c1 ZINC000022783606 818860921 /nfs/dbraw/zinc/86/09/21/818860921.db2.gz GCKHHEPDHQGOHS-GFCCVEGCSA-N 1 1 380.282 4.326 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000177092284 823369222 /nfs/dbraw/zinc/36/92/22/823369222.db2.gz LQGGRRQSKDCZFE-LAUBAEHRSA-N 1 1 389.503 4.251 20 0 GIADMO Cc1ccc2c(C[N@H+]3CCCN(Cc4ccc(F)cc4)CC3)cc(=O)oc2c1C 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AMOWVEULHGOPKB-SJLPKXTDSA-N 1 1 390.449 4.447 20 0 GIADMO COc1ccccc1SCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000122541442 823369701 /nfs/dbraw/zinc/36/97/01/823369701.db2.gz PUYKAJRUEYELLH-UYAOXDASSA-N 1 1 398.572 4.299 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000122549267 823370644 /nfs/dbraw/zinc/37/06/44/823370644.db2.gz HUDFQNRLTWDYCO-JOCHJYFZSA-N 1 1 394.494 4.346 20 0 GIADMO Clc1ccc(C[N@@H+]2CCCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000023008967 818886860 /nfs/dbraw/zinc/88/68/60/818886860.db2.gz WCSUMDOTMUZZBJ-UHFFFAOYSA-N 1 1 382.895 4.098 20 0 GIADMO Clc1ccc(C[N@H+]2CCCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000023008967 818886862 /nfs/dbraw/zinc/88/68/62/818886862.db2.gz WCSUMDOTMUZZBJ-UHFFFAOYSA-N 1 1 382.895 4.098 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000122555565 823371803 /nfs/dbraw/zinc/37/18/03/823371803.db2.gz ONXOUCPQJKICRL-RDTXWAMCSA-N 1 1 391.968 4.195 20 0 GIADMO C[C@H]1C[C@@H](NC(=O)CCSc2ccnc3cc(Cl)ccc32)C[N@H+]1C1CC1 ZINC000177102930 823371793 /nfs/dbraw/zinc/37/17/93/823371793.db2.gz RTJDIUUJEWKQMF-DZGCQCFKSA-N 1 1 389.952 4.112 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)[C@H](C)C1 ZINC000122555417 823371843 /nfs/dbraw/zinc/37/18/43/823371843.db2.gz ONXOUCPQJKICRL-KDOFPFPSSA-N 1 1 391.968 4.195 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)c1csc(-c2ccc(C)cc2)n1)[NH+](C)C ZINC000023178334 818905782 /nfs/dbraw/zinc/90/57/82/818905782.db2.gz NPKODANDKQBNPU-LJQANCHMSA-N 1 1 395.528 4.160 20 0 GIADMO Cc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023188144 818906300 /nfs/dbraw/zinc/90/63/00/818906300.db2.gz AZUQGZYPIAENFL-UHFFFAOYSA-N 1 1 376.422 4.362 20 0 GIADMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000023409603 818935312 /nfs/dbraw/zinc/93/53/12/818935312.db2.gz WYWYXJMJKLADQS-MRXNPFEDSA-N 1 1 382.287 4.068 20 0 GIADMO CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000023409603 818935321 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ZINC000189242687 823380623 /nfs/dbraw/zinc/38/06/23/823380623.db2.gz VSIROSOXYYDRHM-WOJBJXKFSA-N 1 1 389.543 4.442 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCOc1ccc(F)cc1 ZINC000024339529 819048237 /nfs/dbraw/zinc/04/82/37/819048237.db2.gz ZVPKSONHSPDYIE-ZDUSSCGKSA-N 1 1 384.373 4.182 20 0 GIADMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000024339529 819048245 /nfs/dbraw/zinc/04/82/45/819048245.db2.gz ZVPKSONHSPDYIE-ZDUSSCGKSA-N 1 1 384.373 4.182 20 0 GIADMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c(C)c1 ZINC000177152628 823384905 /nfs/dbraw/zinc/38/49/05/823384905.db2.gz TUCZEVSHHFVBAX-NRFANRHFSA-N 1 1 378.472 4.071 20 0 GIADMO Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c(C)c1 ZINC000177152628 823384913 /nfs/dbraw/zinc/38/49/13/823384913.db2.gz TUCZEVSHHFVBAX-NRFANRHFSA-N 1 1 378.472 4.071 20 0 GIADMO c1ccc(CCn2c(C3CCC3)nnc2N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000460429239 823386099 /nfs/dbraw/zinc/38/60/99/823386099.db2.gz QSLCICJRTGMHNL-UHFFFAOYSA-N 1 1 393.579 4.243 20 0 GIADMO CSc1ccccc1[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000410084425 823386694 /nfs/dbraw/zinc/38/66/94/823386694.db2.gz DYQUUQNGSBOPMO-UYAOXDASSA-N 1 1 397.588 4.333 20 0 GIADMO Cc1cccc2nc(C3CCN(C(=O)NC[C@H]4CC[N@H+](CC(C)C)C4)CC3)oc21 ZINC000189285116 823386900 /nfs/dbraw/zinc/38/69/00/823386900.db2.gz DZIHDWKFUWARPJ-GOSISDBHSA-N 1 1 398.551 4.003 20 0 GIADMO C[C@@H](OC[C@H](O)C[NH2+]Cc1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000572713748 823387428 /nfs/dbraw/zinc/38/74/28/823387428.db2.gz AHYLXJFGTYATHV-DNVCBOLYSA-N 1 1 386.879 4.223 20 0 GIADMO O=C(C[N@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1Br ZINC000177163145 823387832 /nfs/dbraw/zinc/38/78/32/823387832.db2.gz HIENQXGBNJCKST-UHFFFAOYSA-N 1 1 379.220 4.052 20 0 GIADMO O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)Nc1ccccc1Br ZINC000177163145 823387841 /nfs/dbraw/zinc/38/78/41/823387841.db2.gz HIENQXGBNJCKST-UHFFFAOYSA-N 1 1 379.220 4.052 20 0 GIADMO CC[N@H+]1CC[C@H](N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)[C@H](C)C1 ZINC000122650645 823388030 /nfs/dbraw/zinc/38/80/30/823388030.db2.gz RTQHELHBVBISCF-BDAKNGLRSA-N 1 1 399.149 4.498 20 0 GIADMO Nc1ccc(F)c(NC(=O)CC[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000177179249 823392563 /nfs/dbraw/zinc/39/25/63/823392563.db2.gz WJEBQLBSNDNSSE-UHFFFAOYSA-N 1 1 379.435 4.055 20 0 GIADMO Cc1[nH+]cc2n1C[C@H](C(=O)NCCc1ccc(Oc3ccc(F)cc3)cc1)CC2 ZINC000572727961 823389451 /nfs/dbraw/zinc/38/94/51/823389451.db2.gz YDTZYPLOYUAEOK-GOSISDBHSA-N 1 1 393.462 4.044 20 0 GIADMO CC[C@H](NC(=O)C[NH2+]C1(c2nccs2)CCCC1)c1ccc(Cl)cc1 ZINC000177169045 823389539 /nfs/dbraw/zinc/38/95/39/823389539.db2.gz YRPYMXZONXFRDN-INIZCTEOSA-N 1 1 377.941 4.423 20 0 GIADMO COc1ccc(CC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cc1F ZINC000058428401 823390157 /nfs/dbraw/zinc/39/01/57/823390157.db2.gz QZOWNZQPVRVARU-UHFFFAOYSA-N 1 1 381.451 4.384 20 0 GIADMO CC(C)COC(=O)Nc1cccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000058433525 823390954 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823445646 /nfs/dbraw/zinc/44/56/46/823445646.db2.gz LAOLPKWSSVMZEJ-UHFFFAOYSA-N 1 1 399.564 4.010 20 0 GIADMO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000177370334 823447424 /nfs/dbraw/zinc/44/74/24/823447424.db2.gz XHEZAUNVBHRBIW-IBGZPJMESA-N 1 1 391.515 4.419 20 0 GIADMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccccc2OC(F)F)C2CC2)cc1 ZINC000025947590 820042820 /nfs/dbraw/zinc/04/28/20/820042820.db2.gz BTBCATJXDRQYQF-UHFFFAOYSA-N 1 1 386.442 4.345 20 0 GIADMO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1)C1CCCCC1 ZINC000026094077 820057233 /nfs/dbraw/zinc/05/72/33/820057233.db2.gz KOAMVDNWMWCKBP-UHFFFAOYSA-N 1 1 393.940 4.300 20 0 GIADMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1)C1CCCCC1 ZINC000026094077 820057241 /nfs/dbraw/zinc/05/72/41/820057241.db2.gz KOAMVDNWMWCKBP-UHFFFAOYSA-N 1 1 393.940 4.300 20 0 GIADMO CCOc1ccc([C@H](C)NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000026164849 820065556 /nfs/dbraw/zinc/06/55/56/820065556.db2.gz AVSVSVKHLQQSCI-SFHVURJKSA-N 1 1 395.547 4.282 20 0 GIADMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)CCCc2ccc(Br)s2)C[C@@H](C)C1 ZINC000573118886 823449870 /nfs/dbraw/zinc/44/98/70/823449870.db2.gz TYBGFHJBBCVHBZ-DZKIICNBSA-N 1 1 399.398 4.022 20 0 GIADMO C[C@@H](CNC(=O)N[C@H]1CCSc2ccc(F)cc21)[N@H+]1CCc2ccccc2C1 ZINC000026173022 820066535 /nfs/dbraw/zinc/06/65/35/820066535.db2.gz VRVSVJRGHPTYGZ-YWZLYKJASA-N 1 1 399.535 4.109 20 0 GIADMO COc1ccc([C@@H](NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)C(C)C)cc1 ZINC000026173964 820066835 /nfs/dbraw/zinc/06/68/35/820066835.db2.gz DFOGQZXIBYCAQI-JPYJTQIMSA-N 1 1 395.547 4.138 20 0 GIADMO C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1cc2ccccc2o1 ZINC000026174080 820067047 /nfs/dbraw/zinc/06/70/47/820067047.db2.gz VTJQZWMDGARESN-DLBZAZTESA-N 1 1 377.488 4.240 20 0 GIADMO C[C@H](CNC(=O)N[C@H](C)c1cc2ccccc2o1)[N@H+]1CCc2ccccc2C1 ZINC000026174085 820067181 /nfs/dbraw/zinc/06/71/81/820067181.db2.gz VTJQZWMDGARESN-IAGOWNOFSA-N 1 1 377.488 4.240 20 0 GIADMO CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)nc1-c1ccncc1 ZINC000026236827 820073363 /nfs/dbraw/zinc/07/33/63/820073363.db2.gz SMNVAAPKXJCKMF-LJQANCHMSA-N 1 1 379.533 4.161 20 0 GIADMO CCn1c(=S)n(C[N@H+]2CCC[C@@H]2Cc2ccccc2)nc1-c1ccncc1 ZINC000026236827 820073373 /nfs/dbraw/zinc/07/33/73/820073373.db2.gz SMNVAAPKXJCKMF-LJQANCHMSA-N 1 1 379.533 4.161 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000026298800 820079325 /nfs/dbraw/zinc/07/93/25/820079325.db2.gz AYNHTHSSQLJJKS-INIZCTEOSA-N 1 1 378.476 4.062 20 0 GIADMO CCOc1ccc(C(C)=O)cc1C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000026298800 820079334 /nfs/dbraw/zinc/07/93/34/820079334.db2.gz AYNHTHSSQLJJKS-INIZCTEOSA-N 1 1 378.476 4.062 20 0 GIADMO Cc1cccc(-c2nn(Cc3ccccc3)cc2CNCC(C)(C)[NH+](C)C)c1 ZINC000026310830 820081568 /nfs/dbraw/zinc/08/15/68/820081568.db2.gz KBUIKXVZPYIRNA-UHFFFAOYSA-N 1 1 376.548 4.337 20 0 GIADMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000123035869 823451435 /nfs/dbraw/zinc/45/14/35/823451435.db2.gz OPWHTGORWLLXTD-SFHVURJKSA-N 1 1 395.434 4.181 20 0 GIADMO CCCC[N@@H+](CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000026450504 820099092 /nfs/dbraw/zinc/09/90/92/820099092.db2.gz KXSQGBZXMMKPDH-SFHVURJKSA-N 1 1 393.531 4.381 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(C)(C)c3ccccc3C)CC2)cc1 ZINC000058791959 823452825 /nfs/dbraw/zinc/45/28/25/823452825.db2.gz LZGYAVRRSPGNIJ-UHFFFAOYSA-N 1 1 380.532 4.016 20 0 GIADMO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c(C)c1 ZINC000026640285 820126489 /nfs/dbraw/zinc/12/64/89/820126489.db2.gz PXROOXANYRRYMD-QWFCFKBJSA-N 1 1 384.564 4.091 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)C(C)(C)c3ccccc3C)cc2)CC1 ZINC000058805797 823455451 /nfs/dbraw/zinc/45/54/51/823455451.db2.gz HSULPGBDHNDOKR-UHFFFAOYSA-N 1 1 379.548 4.049 20 0 GIADMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000026910702 820163128 /nfs/dbraw/zinc/16/31/28/820163128.db2.gz MQLXILCGWHYMBU-QGZVFWFLSA-N 1 1 379.435 4.331 20 0 GIADMO CC[NH+](CC)Cc1ccccc1CN[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026984885 820173425 /nfs/dbraw/zinc/17/34/25/820173425.db2.gz IGLOIXWKKKUKIH-GOSISDBHSA-N 1 1 390.531 4.193 20 0 GIADMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1)c1ccccc1 ZINC000027237373 820214312 /nfs/dbraw/zinc/21/43/12/820214312.db2.gz GXAYDZMVRKPIQT-FQEVSTJZSA-N 1 1 397.906 4.130 20 0 GIADMO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3COc3ccc(Cl)cc3)o2)cc1 ZINC000027237998 820214344 /nfs/dbraw/zinc/21/43/44/820214344.db2.gz FBEXQPHGCFEKJU-QGZVFWFLSA-N 1 1 399.878 4.442 20 0 GIADMO COc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3COc3ccc(Cl)cc3)o2)cc1 ZINC000027237998 820214350 /nfs/dbraw/zinc/21/43/50/820214350.db2.gz FBEXQPHGCFEKJU-QGZVFWFLSA-N 1 1 399.878 4.442 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027334984 820226458 /nfs/dbraw/zinc/22/64/58/820226458.db2.gz LXHZQUSWUBYSLH-QGZVFWFLSA-N 1 1 399.491 4.418 20 0 GIADMO COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(F)c1 ZINC000027344473 820228463 /nfs/dbraw/zinc/22/84/63/820228463.db2.gz NBLAJBFMMDJAGJ-IBGZPJMESA-N 1 1 376.859 4.055 20 0 GIADMO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](CCCCC2CCOCC2)CC1 ZINC000410329920 823465232 /nfs/dbraw/zinc/46/52/32/823465232.db2.gz LAIUYHBYSGZOHU-UHFFFAOYSA-N 1 1 378.944 4.085 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000027391337 820237880 /nfs/dbraw/zinc/23/78/80/820237880.db2.gz SSJDQJDIWXAVGI-UHFFFAOYSA-N 1 1 376.422 4.362 20 0 GIADMO FC(F)Oc1ccc(Cl)cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177444980 823463524 /nfs/dbraw/zinc/46/35/24/823463524.db2.gz LKMSLPSTWYAJCG-INIZCTEOSA-N 1 1 375.843 4.101 20 0 GIADMO Cc1nc(-c2ccc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cs1 ZINC000058879869 823465412 /nfs/dbraw/zinc/46/54/12/823465412.db2.gz XBWFGOLRIJQYNW-UHFFFAOYSA-N 1 1 392.528 4.468 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1 ZINC000058861198 823463753 /nfs/dbraw/zinc/46/37/53/823463753.db2.gz MKOCQMIOIZQQSV-UHFFFAOYSA-N 1 1 384.499 4.157 20 0 GIADMO CC[C@@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000189637669 823464181 /nfs/dbraw/zinc/46/41/81/823464181.db2.gz QOCFUHDGXKJBJK-QFIPXVFZSA-N 1 1 397.544 4.005 20 0 GIADMO CC[C@@]1(CO)CCC[N@H+]1Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000189637669 823464183 /nfs/dbraw/zinc/46/41/83/823464183.db2.gz QOCFUHDGXKJBJK-QFIPXVFZSA-N 1 1 397.544 4.005 20 0 GIADMO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1C ZINC000027545923 820258383 /nfs/dbraw/zinc/25/83/83/820258383.db2.gz WLUYSILOSSJVCI-UHFFFAOYSA-N 1 1 394.563 4.358 20 0 GIADMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000027558036 820259691 /nfs/dbraw/zinc/25/96/91/820259691.db2.gz WFQBRAWFIZFNSR-MRXNPFEDSA-N 1 1 397.494 4.130 20 0 GIADMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000027558036 820259699 /nfs/dbraw/zinc/25/96/99/820259699.db2.gz WFQBRAWFIZFNSR-MRXNPFEDSA-N 1 1 397.494 4.130 20 0 GIADMO C[C@@H](NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1cccs1 ZINC000027574529 820261762 /nfs/dbraw/zinc/26/17/62/820261762.db2.gz IIMFBEXTOWIYBK-OAHLLOKOSA-N 1 1 386.517 4.099 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)CC[N@H+]1Cc1ccccc1 ZINC000177474103 823471079 /nfs/dbraw/zinc/47/10/79/823471079.db2.gz ONOBDGLPAOHBPD-CJNGLKHVSA-N 1 1 398.507 4.147 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1cncc(Br)c1)c1ccco1 ZINC000177452358 823465788 /nfs/dbraw/zinc/46/57/88/823465788.db2.gz PJFNXCFJZHBKCQ-DLBZAZTESA-N 1 1 379.298 4.305 20 0 GIADMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1cncc(Br)c1)c1ccco1 ZINC000177452358 823465792 /nfs/dbraw/zinc/46/57/92/823465792.db2.gz PJFNXCFJZHBKCQ-DLBZAZTESA-N 1 1 379.298 4.305 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1cncc(Br)c1)c1ccco1 ZINC000177452389 823465831 /nfs/dbraw/zinc/46/58/31/823465831.db2.gz PJFNXCFJZHBKCQ-IAGOWNOFSA-N 1 1 379.298 4.305 20 0 GIADMO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1cncc(Br)c1)c1ccco1 ZINC000177452389 823465836 /nfs/dbraw/zinc/46/58/36/823465836.db2.gz PJFNXCFJZHBKCQ-IAGOWNOFSA-N 1 1 379.298 4.305 20 0 GIADMO CC(=O)Oc1ccc(C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 ZINC000123123858 823466105 /nfs/dbraw/zinc/46/61/05/823466105.db2.gz ZRBFHKSBHCGTJF-UHFFFAOYSA-N 1 1 381.451 4.206 20 0 GIADMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(=O)c1ccccc1)c1cccs1 ZINC000027679339 820274725 /nfs/dbraw/zinc/27/47/25/820274725.db2.gz GPBQHWOHQOHCGN-IBGZPJMESA-N 1 1 378.497 4.012 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000058882898 823466423 /nfs/dbraw/zinc/46/64/23/823466423.db2.gz YLZISCFVBZGFSW-RVKKMQEKSA-N 1 1 386.927 4.208 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000058882898 823466425 /nfs/dbraw/zinc/46/64/25/823466425.db2.gz YLZISCFVBZGFSW-RVKKMQEKSA-N 1 1 386.927 4.208 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000058882898 823466427 /nfs/dbraw/zinc/46/64/27/823466427.db2.gz YLZISCFVBZGFSW-RVKKMQEKSA-N 1 1 386.927 4.208 20 0 GIADMO COc1ccccc1-c1nc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cs1 ZINC000058884274 823466557 /nfs/dbraw/zinc/46/65/57/823466557.db2.gz BPKZFNZBHATSIX-BBWFWOEESA-N 1 1 399.560 4.296 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCc3sccc3C2)cc1 ZINC000410337106 823466597 /nfs/dbraw/zinc/46/65/97/823466597.db2.gz LVUZQRIEGGMPKG-QGZVFWFLSA-N 1 1 383.561 4.390 20 0 GIADMO CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000027951211 820300296 /nfs/dbraw/zinc/30/02/96/820300296.db2.gz WUXNEZRQPVBSCB-IAGOWNOFSA-N 1 1 397.544 4.086 20 0 GIADMO COCCO[C@H]1CC[N@@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000189670621 823471749 /nfs/dbraw/zinc/47/17/49/823471749.db2.gz KCGJFHYACSTQNU-JSGCOSHPSA-N 1 1 385.291 4.447 20 0 GIADMO COCCO[C@H]1CC[N@H+]([C@@H](C)c2ncc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000189670621 823471752 /nfs/dbraw/zinc/47/17/52/823471752.db2.gz KCGJFHYACSTQNU-JSGCOSHPSA-N 1 1 385.291 4.447 20 0 GIADMO COc1cc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)ccc1OCC(F)(F)F ZINC000123147611 823469924 /nfs/dbraw/zinc/46/99/24/823469924.db2.gz PLGQVLWJLDFYFI-ZDUSSCGKSA-N 1 1 393.409 4.374 20 0 GIADMO Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000123147787 823469975 /nfs/dbraw/zinc/46/99/75/823469975.db2.gz HNXLFWHDJRLJPG-SJORKVTESA-N 1 1 398.551 4.096 20 0 GIADMO COc1ccc(OC)c(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000410348815 823470006 /nfs/dbraw/zinc/47/00/06/823470006.db2.gz BFOZUQHBEMFYNN-KRWDZBQOSA-N 1 1 397.519 4.257 20 0 GIADMO COc1ccccc1CN(C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000058916572 823470014 /nfs/dbraw/zinc/47/00/14/823470014.db2.gz RAGOLLCLUNORFX-UHFFFAOYSA-N 1 1 388.511 4.356 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1nnc(-c2ccccc2)o1 ZINC000028348090 820327303 /nfs/dbraw/zinc/32/73/03/820327303.db2.gz LWVHLJMNVKHUNB-LSDHHAIUSA-N 1 1 376.460 4.497 20 0 GIADMO COCc1ccccc1C[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000028370624 820329820 /nfs/dbraw/zinc/32/98/20/820329820.db2.gz VRXWSPKYSUCDSA-JOCHJYFZSA-N 1 1 378.447 4.442 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000028381819 820330752 /nfs/dbraw/zinc/33/07/52/820330752.db2.gz LSBVSDGGZVEDED-KGLIPLIRSA-N 1 1 393.503 4.176 20 0 GIADMO C[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)[N@H+]1CCc2sccc2C1 ZINC000028381819 820330760 /nfs/dbraw/zinc/33/07/60/820330760.db2.gz LSBVSDGGZVEDED-KGLIPLIRSA-N 1 1 393.503 4.176 20 0 GIADMO C[C@@H](CNC(=O)N(C)Cc1ccc2ccccc2c1)[N@@H+]1CCc2sccc2C1 ZINC000028379489 820331202 /nfs/dbraw/zinc/33/12/02/820331202.db2.gz IGQMYIGHMUCTET-KRWDZBQOSA-N 1 1 393.556 4.490 20 0 GIADMO C[C@@H](CNC(=O)N(C)Cc1ccc2ccccc2c1)[N@H+]1CCc2sccc2C1 ZINC000028379489 820331212 /nfs/dbraw/zinc/33/12/12/820331212.db2.gz IGQMYIGHMUCTET-KRWDZBQOSA-N 1 1 393.556 4.490 20 0 GIADMO COc1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410349878 823470430 /nfs/dbraw/zinc/47/04/30/823470430.db2.gz RDQLAJROLBLPAC-SFHVURJKSA-N 1 1 381.520 4.069 20 0 GIADMO CCC(CC)CN(CC)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410355250 823471642 /nfs/dbraw/zinc/47/16/42/823471642.db2.gz ZCKQCTFTRIBLGP-KDURUIRLSA-N 1 1 389.584 4.264 20 0 GIADMO CC[C@@H](CNC(=O)N(C)Cc1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC000028392642 820332279 /nfs/dbraw/zinc/33/22/79/820332279.db2.gz VYMCKYLKCNBKTN-NRFANRHFSA-N 1 1 385.939 4.318 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCc2ccccc2)C1 ZINC000410351593 823470759 /nfs/dbraw/zinc/47/07/59/823470759.db2.gz LWLSPBHNOGAOQR-FQEVSTJZSA-N 1 1 379.548 4.303 20 0 GIADMO CCOc1cccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000410352638 823470907 /nfs/dbraw/zinc/47/09/07/823470907.db2.gz POZSPNLEKBWNKM-IBGZPJMESA-N 1 1 395.547 4.317 20 0 GIADMO CCN(C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCCCC1 ZINC000410354445 823471830 /nfs/dbraw/zinc/47/18/30/823471830.db2.gz QBSSHRSPUYOMMZ-KDURUIRLSA-N 1 1 387.568 4.160 20 0 GIADMO COC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000410369359 823477182 /nfs/dbraw/zinc/47/71/82/823477182.db2.gz DSIJPVAXIGCIRD-KRWDZBQOSA-N 1 1 395.503 4.169 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000028726588 820353404 /nfs/dbraw/zinc/35/34/04/820353404.db2.gz MXADDPBGQAXHMP-UHFFFAOYSA-N 1 1 381.495 4.337 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000028726588 820353415 /nfs/dbraw/zinc/35/34/15/820353415.db2.gz MXADDPBGQAXHMP-UHFFFAOYSA-N 1 1 381.495 4.337 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000410357813 823473093 /nfs/dbraw/zinc/47/30/93/823473093.db2.gz CEGWMFDLAFPEAE-QGZVFWFLSA-N 1 1 379.504 4.175 20 0 GIADMO COC(=O)c1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000410358323 823473385 /nfs/dbraw/zinc/47/33/85/823473385.db2.gz IJYGCYANLQPHRJ-QGZVFWFLSA-N 1 1 395.503 4.027 20 0 GIADMO Cc1ccc(C)c(NC(=O)[C@H](C)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000028899275 820369443 /nfs/dbraw/zinc/36/94/43/820369443.db2.gz OPOMZMUDLXGBNP-FQEVSTJZSA-N 1 1 379.548 4.406 20 0 GIADMO C[N@@H+](CCOc1ccccc1Cl)CCC(=O)Nc1ccc(Cl)cc1F ZINC000028901719 820370228 /nfs/dbraw/zinc/37/02/28/820370228.db2.gz NKRPJOJPCKBHLH-UHFFFAOYSA-N 1 1 385.266 4.472 20 0 GIADMO Fc1cc(Br)c(C[NH2+]Cc2cccc(-n3cccn3)c2)cc1F ZINC000573273060 823474198 /nfs/dbraw/zinc/47/41/98/823474198.db2.gz UCNBNFDIBMBFFR-UHFFFAOYSA-N 1 1 378.220 4.203 20 0 GIADMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccn(-c4ccccc4)n3)cc2)C1 ZINC000058949507 823474340 /nfs/dbraw/zinc/47/43/40/823474340.db2.gz DUEICNJMCKDQEG-LJQANCHMSA-N 1 1 388.515 4.034 20 0 GIADMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000028966090 820378277 /nfs/dbraw/zinc/37/82/77/820378277.db2.gz WQYWTWBBIJNIQD-SJKOYZFVSA-N 1 1 379.254 4.084 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000058952448 823475003 /nfs/dbraw/zinc/47/50/03/823475003.db2.gz PILMAYGSTWMVPK-AOMKIAJQSA-N 1 1 398.934 4.192 20 0 GIADMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccccc2N(C)C)C1 ZINC000410363707 823475226 /nfs/dbraw/zinc/47/52/26/823475226.db2.gz WSYXGDVOTDJWAJ-SFHVURJKSA-N 1 1 380.536 4.306 20 0 GIADMO Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000573280238 823475238 /nfs/dbraw/zinc/47/52/38/823475238.db2.gz FFPPQOBTYJOCRM-LBPRGKRZSA-N 1 1 382.291 4.028 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000029070147 820389077 /nfs/dbraw/zinc/38/90/77/820389077.db2.gz MDWFHKLWVBHAQV-KRWDZBQOSA-N 1 1 377.492 4.022 20 0 GIADMO CC(C)c1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000029070147 820389082 /nfs/dbraw/zinc/38/90/82/820389082.db2.gz MDWFHKLWVBHAQV-KRWDZBQOSA-N 1 1 377.492 4.022 20 0 GIADMO COc1ccc(CN(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1C ZINC000123186539 823475584 /nfs/dbraw/zinc/47/55/84/823475584.db2.gz ORMOBZGDINPPSB-QGZVFWFLSA-N 1 1 392.503 4.400 20 0 GIADMO Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000058956845 823475694 /nfs/dbraw/zinc/47/56/94/823475694.db2.gz SNGDRRLHDSNPTL-CQSZACIVSA-N 1 1 398.532 4.155 20 0 GIADMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000058957916 823476061 /nfs/dbraw/zinc/47/60/61/823476061.db2.gz OMWBWORUHAUTCP-LLVKDONJSA-N 1 1 390.846 4.014 20 0 GIADMO COc1ccc(NC(=O)C[NH+]2CCC(CCc3ccc(C)cc3)CC2)c(OC)c1 ZINC000029168198 820404258 /nfs/dbraw/zinc/40/42/58/820404258.db2.gz PNRAURLJLQEUJX-UHFFFAOYSA-N 1 1 396.531 4.296 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000410372523 823478995 /nfs/dbraw/zinc/47/89/95/823478995.db2.gz OEJSUAUKCCSSJO-UHFFFAOYSA-N 1 1 383.511 4.197 20 0 GIADMO C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC[N@H+](C2CC2)CC1 ZINC000177516122 823480301 /nfs/dbraw/zinc/48/03/01/823480301.db2.gz PUFJXLDFKRBEMC-LBPRGKRZSA-N 1 1 381.307 4.275 20 0 GIADMO Cc1ccc([C@H](NC(=O)C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)C2CC2)cc1 ZINC000029481457 820460740 /nfs/dbraw/zinc/46/07/40/820460740.db2.gz VBDZEEFFQMYRFQ-DQEYMECFSA-N 1 1 392.543 4.008 20 0 GIADMO COc1ccc(F)c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000189719633 823481479 /nfs/dbraw/zinc/48/14/79/823481479.db2.gz SSFOFKSHTXLWHP-AEFFLSMTSA-N 1 1 377.847 4.055 20 0 GIADMO COc1ccc(F)c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000189719633 823481481 /nfs/dbraw/zinc/48/14/81/823481481.db2.gz SSFOFKSHTXLWHP-AEFFLSMTSA-N 1 1 377.847 4.055 20 0 GIADMO C[C@H]1C[C@H](NC(=O)Nc2cccc(OCCF)c2)CC[N@H+]1Cc1ccccc1 ZINC000123227325 823481569 /nfs/dbraw/zinc/48/15/69/823481569.db2.gz QLRAJPFFGXXMKV-FXAWDEMLSA-N 1 1 385.483 4.210 20 0 GIADMO C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410383212 823482308 /nfs/dbraw/zinc/48/23/08/823482308.db2.gz NWSBRRLXWYJPCK-MOPGFXCFSA-N 1 1 383.536 4.332 20 0 GIADMO CC(C)C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccc(Cl)cc1 ZINC000573345417 823482348 /nfs/dbraw/zinc/48/23/48/823482348.db2.gz VTEVDQLCIGAKNB-WOJBJXKFSA-N 1 1 386.927 4.178 20 0 GIADMO COc1cc(F)c(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000189723990 823482467 /nfs/dbraw/zinc/48/24/67/823482467.db2.gz IYYZQZIQCZDKFD-YJBOKZPZSA-N 1 1 395.837 4.194 20 0 GIADMO COc1cc(F)c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000189723990 823482469 /nfs/dbraw/zinc/48/24/69/823482469.db2.gz IYYZQZIQCZDKFD-YJBOKZPZSA-N 1 1 395.837 4.194 20 0 GIADMO O=C(COc1ccc(F)cc1Cl)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029636826 820489647 /nfs/dbraw/zinc/48/96/47/820489647.db2.gz DHVILEHDMCSVPY-UHFFFAOYSA-N 1 1 397.903 4.329 20 0 GIADMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1 ZINC000410385160 823482624 /nfs/dbraw/zinc/48/26/24/823482624.db2.gz APYGNPQIXOIBOB-QGZVFWFLSA-N 1 1 384.373 4.398 20 0 GIADMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccccc1 ZINC000410385160 823482627 /nfs/dbraw/zinc/48/26/27/823482627.db2.gz APYGNPQIXOIBOB-QGZVFWFLSA-N 1 1 384.373 4.398 20 0 GIADMO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029702393 820500729 /nfs/dbraw/zinc/50/07/29/820500729.db2.gz VCVIBYJUFYFAKU-HNNXBMFYSA-N 1 1 396.903 4.461 20 0 GIADMO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029702393 820500737 /nfs/dbraw/zinc/50/07/37/820500737.db2.gz VCVIBYJUFYFAKU-HNNXBMFYSA-N 1 1 396.903 4.461 20 0 GIADMO CC(C)[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1cccc(Cl)c1 ZINC000059038113 823484135 /nfs/dbraw/zinc/48/41/35/823484135.db2.gz MLPWPDUVKFAWTP-UHFFFAOYSA-N 1 1 388.895 4.350 20 0 GIADMO CC(C)[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1cccc(Cl)c1 ZINC000059038113 823484138 /nfs/dbraw/zinc/48/41/38/823484138.db2.gz MLPWPDUVKFAWTP-UHFFFAOYSA-N 1 1 388.895 4.350 20 0 GIADMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000177532927 823484329 /nfs/dbraw/zinc/48/43/29/823484329.db2.gz RZUDYHRCQIOSMI-TZMCWYRMSA-N 1 1 388.265 4.470 20 0 GIADMO C[C@@H](C1CC1)[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000029725317 820507192 /nfs/dbraw/zinc/50/71/92/820507192.db2.gz QNSYPGMSQJZNCI-KBXCAEBGSA-N 1 1 383.517 4.282 20 0 GIADMO Cc1ccc(Oc2ccc(NC(=O)NC[C@H](c3ccco3)[NH+](C)C)cn2)cc1 ZINC000059059257 823484917 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Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)sc1C ZINC000029832626 820528753 /nfs/dbraw/zinc/52/87/53/820528753.db2.gz VYROASYGXCBAKM-UKRRQHHQSA-N 1 1 384.505 4.108 20 0 GIADMO Cc1nc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)sc1C ZINC000029832626 820528762 /nfs/dbraw/zinc/52/87/62/820528762.db2.gz VYROASYGXCBAKM-UKRRQHHQSA-N 1 1 384.505 4.108 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2ccc(F)cc2)o1 ZINC000029839562 820529342 /nfs/dbraw/zinc/52/93/42/820529342.db2.gz GBGDQJYQIZCFPI-UHFFFAOYSA-N 1 1 378.447 4.264 20 0 GIADMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)CCCOc1ccccc1 ZINC000029854244 820532622 /nfs/dbraw/zinc/53/26/22/820532622.db2.gz GLTRLEJNVQHWOP-OAHLLOKOSA-N 1 1 380.410 4.433 20 0 GIADMO CC[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000029909475 820546000 /nfs/dbraw/zinc/54/60/00/820546000.db2.gz OBIZCEOKNXHNAK-FQEVSTJZSA-N 1 1 390.449 4.201 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000123265173 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395.503 4.163 20 0 GIADMO COC[C@H]([NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1)c1ccco1 ZINC000177571693 823493660 /nfs/dbraw/zinc/49/36/60/823493660.db2.gz OSEADGLSRHRCTK-NRFANRHFSA-N 1 1 391.471 4.292 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)C2(c3cccc(Br)c3)CCCC2)CC[N@H+]1C ZINC000123314794 823495305 /nfs/dbraw/zinc/49/53/05/823495305.db2.gz BJULKXJYIYDLTI-MAUKXSAKSA-N 1 1 393.369 4.202 20 0 GIADMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000059404446 823495491 /nfs/dbraw/zinc/49/54/91/823495491.db2.gz VFPDRHZCVPSAFJ-PBHICJAKSA-N 1 1 389.927 4.356 20 0 GIADMO O=C(CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 ZINC000059374701 823494320 /nfs/dbraw/zinc/49/43/20/823494320.db2.gz VXAKUWQEQQILIH-UHFFFAOYSA-N 1 1 389.902 4.016 20 0 GIADMO O=C(CSc1ccc2ccccc2c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030363208 820605660 /nfs/dbraw/zinc/60/56/60/820605660.db2.gz RZPOCLRBBIHTHK-UHFFFAOYSA-N 1 1 376.525 4.106 20 0 GIADMO O=C(CSc1ccc2ccccc2c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000030363208 820605666 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386.561 4.279 20 0 GIADMO Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000460756007 823504831 /nfs/dbraw/zinc/50/48/31/823504831.db2.gz NQEMBTCXWBLOOA-QGZVFWFLSA-N 1 1 387.321 4.070 20 0 GIADMO CC[C@@H](NC(=O)c1c(C)cccc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000410573065 823505028 /nfs/dbraw/zinc/50/50/28/823505028.db2.gz JVSXJFJKOQKTEZ-WOJBJXKFSA-N 1 1 386.923 4.058 20 0 GIADMO CC[C@@H](NC(=O)c1c(C)cccc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000410573065 823505032 /nfs/dbraw/zinc/50/50/32/823505032.db2.gz JVSXJFJKOQKTEZ-WOJBJXKFSA-N 1 1 386.923 4.058 20 0 GIADMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)cc1 ZINC000189819244 823501534 /nfs/dbraw/zinc/50/15/34/823501534.db2.gz AYCFTYZZSVCFRT-INIZCTEOSA-N 1 1 393.487 4.351 20 0 GIADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c3cc(Cl)ccc3n2)C1 ZINC000410594121 823505820 /nfs/dbraw/zinc/50/58/20/823505820.db2.gz SZCICPYCZWDBNL-KPZWWZAWSA-N 1 1 378.303 4.098 20 0 GIADMO COc1ccc(CN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(OC)c2)C2CC2)cc1 ZINC000123366799 823502079 /nfs/dbraw/zinc/50/20/79/823502079.db2.gz HFHQOBSHGWDDNS-QHCPKHFHSA-N 1 1 394.515 4.032 20 0 GIADMO Cc1ccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccccc4C)CC3)on2)cc1 ZINC000031417275 820808419 /nfs/dbraw/zinc/80/84/19/820808419.db2.gz PPZRUPCFDYTNJP-UHFFFAOYSA-N 1 1 389.499 4.307 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCc1ccccn1 ZINC000123408530 823506772 /nfs/dbraw/zinc/50/67/72/823506772.db2.gz HUKNMYLGACTAGQ-QHCPKHFHSA-N 1 1 389.499 4.253 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCc1ccccn1 ZINC000123408530 823506776 /nfs/dbraw/zinc/50/67/76/823506776.db2.gz HUKNMYLGACTAGQ-QHCPKHFHSA-N 1 1 389.499 4.253 20 0 GIADMO COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000060089274 823507324 /nfs/dbraw/zinc/50/73/24/823507324.db2.gz CPIZZWVWHBRCAS-VWLOTQADSA-N 1 1 388.511 4.307 20 0 GIADMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000060092950 823507716 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GIADMO C[C@H](CNC(=O)c1ccc(OC2CCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000031961341 820880399 /nfs/dbraw/zinc/88/03/99/820880399.db2.gz JCIBDPVPLJQKPP-MRXNPFEDSA-N 1 1 384.545 4.246 20 0 GIADMO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)c1ccc(C)s1)c1ccsc1 ZINC000031986919 820885023 /nfs/dbraw/zinc/88/50/23/820885023.db2.gz UHBDCKBIMJMJFA-MRXNPFEDSA-N 1 1 378.563 4.280 20 0 GIADMO C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000060220425 823512584 /nfs/dbraw/zinc/51/25/84/823512584.db2.gz DKURLMIZKGVXPL-OAHLLOKOSA-N 1 1 390.936 4.295 20 0 GIADMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc3ncccc32)ccc1SC ZINC000060241966 823512991 /nfs/dbraw/zinc/51/29/91/823512991.db2.gz LYKGDVGEOVLOGQ-HNNXBMFYSA-N 1 1 395.528 4.424 20 0 GIADMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc3ncccc32)ccc1SC ZINC000060241966 823512993 /nfs/dbraw/zinc/51/29/93/823512993.db2.gz LYKGDVGEOVLOGQ-HNNXBMFYSA-N 1 1 395.528 4.424 20 0 GIADMO O=C(NCc1ccccc1Cl)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000060244786 823513160 /nfs/dbraw/zinc/51/31/60/823513160.db2.gz MPMOAFAUDNDKBC-HNNXBMFYSA-N 1 1 377.941 4.113 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000177728084 823517718 /nfs/dbraw/zinc/51/77/18/823517718.db2.gz MWFOHQVCVQXLQB-HBIPHATFSA-N 1 1 395.524 4.212 20 0 GIADMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000177728084 823517719 /nfs/dbraw/zinc/51/77/19/823517719.db2.gz MWFOHQVCVQXLQB-HBIPHATFSA-N 1 1 395.524 4.212 20 0 GIADMO CCCc1ccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)cc1 ZINC000060270868 823513858 /nfs/dbraw/zinc/51/38/58/823513858.db2.gz OGROYJDWEXDMBQ-UHFFFAOYSA-N 1 1 391.515 4.178 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2c3c(ccc2Cl)OCC3)[C@H](C(F)(F)F)C1 ZINC000410802633 823514642 /nfs/dbraw/zinc/51/46/42/823514642.db2.gz QKJZBOASGGQNFH-VXGBXAGGSA-N 1 1 390.833 4.122 20 0 GIADMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C2SCCS2)cc1 ZINC000032399637 820933759 /nfs/dbraw/zinc/93/37/59/820933759.db2.gz SENXTBHPXYPCLQ-UHFFFAOYSA-N 1 1 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CC[N@H+]1CC[C@H](CNC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)C1 ZINC000180720039 821416333 /nfs/dbraw/zinc/41/63/33/821416333.db2.gz MWBKWSCIFPTQFJ-GFCCVEGCSA-N 1 1 382.291 4.028 20 0 GIADMO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)c1nc2c(s1)CCCC2 ZINC000180724809 821419101 /nfs/dbraw/zinc/41/91/01/821419101.db2.gz AEXXSHFLIOHZPX-IUODEOHRSA-N 1 1 375.925 4.131 20 0 GIADMO O=C(Nc1ccccc1SC(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000043552842 821426992 /nfs/dbraw/zinc/42/69/92/821426992.db2.gz MMQFQMAXZHCRCM-UHFFFAOYSA-N 1 1 377.460 4.351 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000043565346 821427688 /nfs/dbraw/zinc/42/76/88/821427688.db2.gz BVXGTUOFTXLXMM-QGZVFWFLSA-N 1 1 385.533 4.258 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043643490 821435198 /nfs/dbraw/zinc/43/51/98/821435198.db2.gz KRZJUFLJMYROGS-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2C(F)(F)F)c1 ZINC000043643490 821435204 /nfs/dbraw/zinc/43/52/04/821435204.db2.gz KRZJUFLJMYROGS-ZDUSSCGKSA-N 1 1 396.409 4.182 20 0 GIADMO CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180760255 821439395 /nfs/dbraw/zinc/43/93/95/821439395.db2.gz CYJNURGQANDOAH-HKUYNNGSSA-N 1 1 395.931 4.208 20 0 GIADMO CC(C)[N@H+]1CC[C@H](NC(=O)CCc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180760255 821439401 /nfs/dbraw/zinc/43/94/01/821439401.db2.gz CYJNURGQANDOAH-HKUYNNGSSA-N 1 1 395.931 4.208 20 0 GIADMO C[N@@H+]1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c2ccccc2C1 ZINC000180785133 821456563 /nfs/dbraw/zinc/45/65/63/821456563.db2.gz FRGQQDPVLMRIKG-UHFFFAOYSA-N 1 1 395.503 4.055 20 0 GIADMO C[N@H+]1CCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)c2ccccc2C1 ZINC000180785133 821456569 /nfs/dbraw/zinc/45/65/69/821456569.db2.gz FRGQQDPVLMRIKG-UHFFFAOYSA-N 1 1 395.503 4.055 20 0 GIADMO Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000180804785 821468154 /nfs/dbraw/zinc/46/81/54/821468154.db2.gz FESWPBVCOLFTOJ-AWEZNQCLSA-N 1 1 393.388 4.268 20 0 GIADMO COc1ccc([C@@H](CN[C@H](c2ccccc2)c2ccccn2)[NH+](C)C)cc1OC ZINC000180810250 821471615 /nfs/dbraw/zinc/47/16/15/821471615.db2.gz MXAQSWPFCKHRJY-ZJSXRUAMSA-N 1 1 391.515 4.081 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180855362 821496699 /nfs/dbraw/zinc/49/66/99/821496699.db2.gz JAZWUYGBSZNYDC-LPHOPBHVSA-N 1 1 395.551 4.264 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180855344 821496825 /nfs/dbraw/zinc/49/68/25/821496825.db2.gz JAZWUYGBSZNYDC-VQIMIIECSA-N 1 1 395.551 4.264 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863175 821501077 /nfs/dbraw/zinc/50/10/77/821501077.db2.gz AXJFERCGDKKANX-KSZLIROESA-N 1 1 395.551 4.333 20 0 GIADMO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180863175 821501084 /nfs/dbraw/zinc/50/10/84/821501084.db2.gz AXJFERCGDKKANX-KSZLIROESA-N 1 1 395.551 4.333 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000044098878 821522726 /nfs/dbraw/zinc/52/27/26/821522726.db2.gz LDPZHERFALBNHR-AWEZNQCLSA-N 1 1 384.387 4.248 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000180927583 821542947 /nfs/dbraw/zinc/54/29/47/821542947.db2.gz SIVZJNUXXVGDHP-IBGZPJMESA-N 1 1 383.540 4.014 20 0 GIADMO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(OC)cc1 ZINC000181019923 821596670 /nfs/dbraw/zinc/59/66/70/821596670.db2.gz QKEWIELFPFILDN-CUWPLCDZSA-N 1 1 386.561 4.450 20 0 GIADMO CC(C)c1noc([C@H](C)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000044586541 821616131 /nfs/dbraw/zinc/61/61/31/821616131.db2.gz YNGXMQGDXXYILA-AWEZNQCLSA-N 1 1 382.430 4.091 20 0 GIADMO CCN1CC[NH+](Cc2ccc(N[C@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000181080028 821622646 /nfs/dbraw/zinc/62/26/46/821622646.db2.gz PDTGCOZTOXEJGV-RUZDIDTESA-N 1 1 386.543 4.421 20 0 GIADMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181093235 821629351 /nfs/dbraw/zinc/62/93/51/821629351.db2.gz WSBPLYUMXYNBQB-AWEZNQCLSA-N 1 1 399.445 4.239 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000181093235 821629359 /nfs/dbraw/zinc/62/93/59/821629359.db2.gz WSBPLYUMXYNBQB-AWEZNQCLSA-N 1 1 399.445 4.239 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)[N@@H+](C)Cc1ccccc1 ZINC000181106315 821635883 /nfs/dbraw/zinc/63/58/83/821635883.db2.gz NHAHDGYKMOZMMR-ZDUSSCGKSA-N 1 1 387.434 4.143 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[N@H+](C)Cc1ccccc1 ZINC000181106315 821635885 /nfs/dbraw/zinc/63/58/85/821635885.db2.gz NHAHDGYKMOZMMR-ZDUSSCGKSA-N 1 1 387.434 4.143 20 0 GIADMO C[C@@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[N@@H+](C)Cc1ccccc1 ZINC000181106315 821635888 /nfs/dbraw/zinc/63/58/88/821635888.db2.gz NHAHDGYKMOZMMR-ZDUSSCGKSA-N 1 1 387.434 4.143 20 0 GIADMO O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000181114248 821640704 /nfs/dbraw/zinc/64/07/04/821640704.db2.gz JYLQLJUIFITSAN-SFHVURJKSA-N 1 1 399.445 4.459 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000181134357 821654313 /nfs/dbraw/zinc/65/43/13/821654313.db2.gz FLRPOWSLERYHIN-FUHWJXTLSA-N 1 1 379.504 4.418 20 0 GIADMO COc1ccc2ccccc2c1-c1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000181134387 821654378 /nfs/dbraw/zinc/65/43/78/821654378.db2.gz FLRPOWSLERYHIN-WMZOPIPTSA-N 1 1 379.504 4.418 20 0 GIADMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cc(F)cc5c4OCOC5)C3)nc2c1 ZINC000181149578 821664228 /nfs/dbraw/zinc/66/42/28/821664228.db2.gz SESAEBFLYOTVQI-HNNXBMFYSA-N 1 1 381.451 4.257 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cc(F)cc5c4OCOC5)C3)[nH]c2c1 ZINC000181149578 821664231 /nfs/dbraw/zinc/66/42/31/821664231.db2.gz SESAEBFLYOTVQI-HNNXBMFYSA-N 1 1 381.451 4.257 20 0 GIADMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cc(F)cc5c4OCOC5)C3)[nH]c2c1 ZINC000181149578 821664238 /nfs/dbraw/zinc/66/42/38/821664238.db2.gz SESAEBFLYOTVQI-HNNXBMFYSA-N 1 1 381.451 4.257 20 0 GIADMO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045014410 821690840 /nfs/dbraw/zinc/69/08/40/821690840.db2.gz QIQPPQMFZDQNTL-OALUTQOASA-N 1 1 382.470 4.398 20 0 GIADMO CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(Cl)nc2)cc1 ZINC000181233452 821710386 /nfs/dbraw/zinc/71/03/86/821710386.db2.gz HDMRCHZYOAPSTP-UHFFFAOYSA-N 1 1 384.911 4.423 20 0 GIADMO Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)s2)o1 ZINC000181236020 821711576 /nfs/dbraw/zinc/71/15/76/821711576.db2.gz QDOGNKORHKPCHQ-UHFFFAOYSA-N 1 1 383.473 4.069 20 0 GIADMO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccc(N2CCOC2=O)cc1 ZINC000181267229 821725165 /nfs/dbraw/zinc/72/51/65/821725165.db2.gz AVZGRVHCWAVRED-AWEZNQCLSA-N 1 1 381.407 4.288 20 0 GIADMO C[C@@H]([NH2+]CCOc1ncc(Cl)cc1Cl)c1ncc(Br)s1 ZINC000181341268 821772614 /nfs/dbraw/zinc/77/26/14/821772614.db2.gz ZCIZVOXBMUDMLF-SSDOTTSWSA-N 1 1 397.125 4.337 20 0 GIADMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(OC(F)F)cc2OC(F)F)n[nH]1 ZINC000181426229 821820840 /nfs/dbraw/zinc/82/08/40/821820840.db2.gz FDSBDXMDDWATIP-MWLCHTKSSA-N 1 1 375.366 4.203 20 0 GIADMO Cc1ccc([C@@H]([NH2+][C@H](C)c2cccnc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000181428275 821821570 /nfs/dbraw/zinc/82/15/70/821821570.db2.gz BYBKHOAHVZLIQJ-VGOFRKELSA-N 1 1 380.513 4.234 20 0 GIADMO Cc1cccc(-c2nc(CC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)c1 ZINC000181430275 821822747 /nfs/dbraw/zinc/82/27/47/821822747.db2.gz DLCGSJQDFUWBSV-IEBWSBKVSA-N 1 1 397.588 4.430 20 0 GIADMO COCCc1nc(C)c([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431977 821823622 /nfs/dbraw/zinc/82/36/22/821823622.db2.gz FATOSBCDZMBIHO-UWVAXJGDSA-N 1 1 387.593 4.344 20 0 GIADMO COCCc1nc(C)c([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)s1 ZINC000181431977 821823629 /nfs/dbraw/zinc/82/36/29/821823629.db2.gz FATOSBCDZMBIHO-UWVAXJGDSA-N 1 1 387.593 4.344 20 0 GIADMO COc1ccccc1[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccco1 ZINC000181433899 821825215 /nfs/dbraw/zinc/82/52/15/821825215.db2.gz GPHXHTWLAHAUNI-QHCPKHFHSA-N 1 1 377.488 4.027 20 0 GIADMO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](c2ccco2)c2ccccc2OC)cc1 ZINC000181434163 821825411 /nfs/dbraw/zinc/82/54/11/821825411.db2.gz JEQHVIZRVHJAQA-MWTRTKDXSA-N 1 1 394.471 4.393 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 ZINC000181437230 821826889 /nfs/dbraw/zinc/82/68/89/821826889.db2.gz NMLGLFSJXLMSFH-INIZCTEOSA-N 1 1 389.229 4.187 20 0 GIADMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCc1ccncc1)c1ccc(Cl)cc1Cl ZINC000181451991 821831909 /nfs/dbraw/zinc/83/19/09/821831909.db2.gz RBTQTTYBIIHDAG-KGLIPLIRSA-N 1 1 380.319 4.129 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181451932 821832036 /nfs/dbraw/zinc/83/20/36/821832036.db2.gz ONRISTFWWKZFNI-ZBFHGGJFSA-N 1 1 387.549 4.023 20 0 GIADMO Cc1cccc(C)c1-n1nnnc1C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000181464580 821838801 /nfs/dbraw/zinc/83/88/01/821838801.db2.gz OGKCVCVYZVOSSW-UHFFFAOYSA-N 1 1 381.911 4.492 20 0 GIADMO CCCCN(CCCO)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000181467845 821839887 /nfs/dbraw/zinc/83/98/87/821839887.db2.gz VCNUSJLGBSLGEY-UHFFFAOYSA-N 1 1 375.557 4.468 20 0 GIADMO Cc1nc(CCC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)oc1-c1ccccc1 ZINC000181487496 821848564 /nfs/dbraw/zinc/84/85/64/821848564.db2.gz GSLPZUODMBFCKG-FXAWDEMLSA-N 1 1 395.547 4.352 20 0 GIADMO C[C@@H](NC(=O)c1csc(-c2cccs2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181499631 821855579 /nfs/dbraw/zinc/85/55/79/821855579.db2.gz IYWZQMTYCQKVRK-ZIAGYGMSSA-N 1 1 375.563 4.254 20 0 GIADMO C[C@H](NC(=O)c1csc(-c2cccs2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181499610 821855783 /nfs/dbraw/zinc/85/57/83/821855783.db2.gz IYWZQMTYCQKVRK-UONOGXRCSA-N 1 1 375.563 4.254 20 0 GIADMO C[N@H+]1CCCN(C(=O)Nc2ccccc2SC[C@H]2CC2(Cl)Cl)CC1 ZINC000181505289 821857090 /nfs/dbraw/zinc/85/70/90/821857090.db2.gz YEAIMRSHEMVEDU-CYBMUJFWSA-N 1 1 388.364 4.142 20 0 GIADMO COc1ccc2cccc(CC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2c1 ZINC000181505927 821857724 /nfs/dbraw/zinc/85/77/24/821857724.db2.gz TYKOXSRQMUIGFQ-YLJYHZDGSA-N 1 1 380.532 4.160 20 0 GIADMO Cc1cccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1Br ZINC000181506205 821858321 /nfs/dbraw/zinc/85/83/21/821858321.db2.gz JGUKRSKNSCNVDG-CABCVRRESA-N 1 1 379.342 4.140 20 0 GIADMO Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181513027 821861274 /nfs/dbraw/zinc/86/12/74/821861274.db2.gz IJRZKNAKJNCFSB-WMLDXEAASA-N 1 1 375.582 4.492 20 0 GIADMO C[C@H](NC(=O)CCc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181519602 821864165 /nfs/dbraw/zinc/86/41/65/821864165.db2.gz CWFXLXYJQROXBT-RDJZCZTQSA-N 1 1 393.369 4.151 20 0 GIADMO C[C@H](NC(=O)CCc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181519560 821864295 /nfs/dbraw/zinc/86/42/95/821864295.db2.gz CWFXLXYJQROXBT-DOTOQJQBSA-N 1 1 393.369 4.151 20 0 GIADMO C[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(-n2cncn2)cc1 ZINC000181522435 821865390 /nfs/dbraw/zinc/86/53/90/821865390.db2.gz HOGUBXRECSSWRK-CQSZACIVSA-N 1 1 379.851 4.427 20 0 GIADMO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)sc1Cl ZINC000181525212 821866707 /nfs/dbraw/zinc/86/67/07/821866707.db2.gz BRGDQLWEQPNMBF-IONNQARKSA-N 1 1 375.243 4.259 20 0 GIADMO CCc1ccccc1NC(=O)CN1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000181531533 821869934 /nfs/dbraw/zinc/86/99/34/821869934.db2.gz GBYXTAAKPZYOCM-UHFFFAOYSA-N 1 1 399.966 4.091 20 0 GIADMO Oc1c(Br)cccc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000181532606 821869999 /nfs/dbraw/zinc/86/99/99/821869999.db2.gz AFLMNNAJVZWMHI-UHFFFAOYSA-N 1 1 394.284 4.475 20 0 GIADMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccc(OCC2CC2)c(F)c1 ZINC000181570252 821884319 /nfs/dbraw/zinc/88/43/19/821884319.db2.gz SYGXUFWJMQTDDJ-OAHLLOKOSA-N 1 1 380.467 4.261 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000181592434 821894227 /nfs/dbraw/zinc/89/42/27/821894227.db2.gz ULRIJBOVTNGSAD-QUCCMNQESA-N 1 1 384.524 4.070 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)n1 ZINC000181601404 821898009 /nfs/dbraw/zinc/89/80/09/821898009.db2.gz RAUWBMWVQBCMRP-XHDPSFHLSA-N 1 1 399.438 4.418 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)C2CC2)n1 ZINC000181610495 821902538 /nfs/dbraw/zinc/90/25/38/821902538.db2.gz YKKXLBJJTRNSAW-INIZCTEOSA-N 1 1 394.338 4.202 20 0 GIADMO C[C@H](NC(=O)c1cc(Cl)ccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181640373 821918504 /nfs/dbraw/zinc/91/85/04/821918504.db2.gz LHBZKCZTHWGXFL-STQMWFEESA-N 1 1 399.760 4.485 20 0 GIADMO CC(C)c1ccc(N2Cc3ccc(NC(=O)N4CCC[N@@H+](C)CC4)cc3C2)cc1 ZINC000181648196 821921444 /nfs/dbraw/zinc/92/14/44/821921444.db2.gz VAOKAWCZWHRBCU-UHFFFAOYSA-N 1 1 392.547 4.500 20 0 GIADMO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000181652470 821924249 /nfs/dbraw/zinc/92/42/49/821924249.db2.gz FTDMHLJRWPPCGV-GFCCVEGCSA-N 1 1 385.888 4.132 20 0 GIADMO C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181657483 821926761 /nfs/dbraw/zinc/92/67/61/821926761.db2.gz ZNRRXQYNIXRFHT-JKSUJKDBSA-N 1 1 378.944 4.267 20 0 GIADMO C[C@H](NC(=O)CCCc1ncc(-c2ccccc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181665917 821932901 /nfs/dbraw/zinc/93/29/01/821932901.db2.gz OZYKUWXEMCQGTB-AZUAARDMSA-N 1 1 395.547 4.434 20 0 GIADMO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2cc(Cl)ccc2o1 ZINC000181670337 821935573 /nfs/dbraw/zinc/93/55/73/821935573.db2.gz WIYXDFTUUVMSJI-OAHLLOKOSA-N 1 1 399.922 4.228 20 0 GIADMO COC[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000181685507 821943931 /nfs/dbraw/zinc/94/39/31/821943931.db2.gz BYIDDOGPDIZLMY-INIZCTEOSA-N 1 1 386.801 4.275 20 0 GIADMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000181749486 821975535 /nfs/dbraw/zinc/97/55/35/821975535.db2.gz VHBYMIALXAVRQS-SFHVURJKSA-N 1 1 383.536 4.292 20 0 GIADMO Cc1cc2cc(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)oc2c(Br)c1 ZINC000181757356 821979017 /nfs/dbraw/zinc/97/90/17/821979017.db2.gz YHPADACIYKRQPX-XJKSGUPXSA-N 1 1 391.309 4.060 20 0 GIADMO CCC[C@H]([NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)c1ccccc1 ZINC000181763258 821981821 /nfs/dbraw/zinc/98/18/21/821981821.db2.gz QWHRTXDDCSRDJK-SFHVURJKSA-N 1 1 382.533 4.152 20 0 GIADMO CC[C@H]([NH2+]Cc1ccn(-c2c(F)cccc2F)n1)c1ccc2c(c1)OCCO2 ZINC000181765261 821983083 /nfs/dbraw/zinc/98/30/83/821983083.db2.gz BUZQGWDUPGSLJR-SFHVURJKSA-N 1 1 385.414 4.163 20 0 GIADMO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(Cl)n1 ZINC000181811897 822002668 /nfs/dbraw/zinc/00/26/68/822002668.db2.gz UUTMAOPCHMRYNG-UHFFFAOYSA-N 1 1 393.865 4.024 20 0 GIADMO CCC[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cccc(C(F)(F)F)c1 ZINC000181848576 822016492 /nfs/dbraw/zinc/01/64/92/822016492.db2.gz SYVCEBYWFHWMLV-HNNXBMFYSA-N 1 1 381.423 4.406 20 0 GIADMO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2ccc(OC)cc2Br)cc1 ZINC000181911573 822035060 /nfs/dbraw/zinc/03/50/60/822035060.db2.gz FLEBMHHQNQHEMO-DJJJIMSYSA-N 1 1 394.309 4.241 20 0 GIADMO CCO[C@@H](C)c1noc(CN2CC[NH+]([C@@H](C)c3ccc(C(C)C)cc3)CC2)n1 ZINC000181921548 822036922 /nfs/dbraw/zinc/03/69/22/822036922.db2.gz UDYMCDZULJMQKS-ROUUACIJSA-N 1 1 386.540 4.169 20 0 GIADMO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000181930576 822038891 /nfs/dbraw/zinc/03/88/91/822038891.db2.gz MYKRPGMOSHQRPG-OTWHNJEPSA-N 1 1 395.547 4.105 20 0 GIADMO COc1ccccc1-c1nnc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)o1 ZINC000181980662 822051671 /nfs/dbraw/zinc/05/16/71/822051671.db2.gz KAIAZNVCCZXSAT-NRFANRHFSA-N 1 1 395.459 4.003 20 0 GIADMO COc1cccc([C@@H]2[C@H](NC(=O)N(C)[C@@H](C)c3cccs3)CC[N@H+]2C2CC2)c1 ZINC000181988131 822054536 /nfs/dbraw/zinc/05/45/36/822054536.db2.gz INYILYXGIZTJIF-NYSBEXSLSA-N 1 1 399.560 4.437 20 0 GIADMO C[C@H]([NH2+]CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)c1cccc(F)c1F ZINC000182001687 822058924 /nfs/dbraw/zinc/05/89/24/822058924.db2.gz AVNAWKIRPVGREU-HNNXBMFYSA-N 1 1 395.453 4.413 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000182011952 822062011 /nfs/dbraw/zinc/06/20/11/822062011.db2.gz ZCNNAIXMGJUUIX-GOSISDBHSA-N 1 1 379.479 4.291 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(OCCC(C)C)CC3)co2)cc1 ZINC000182064351 822079201 /nfs/dbraw/zinc/07/92/01/822079201.db2.gz XDKNSVMXFACJAS-UHFFFAOYSA-N 1 1 386.492 4.155 20 0 GIADMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000182092902 822090810 /nfs/dbraw/zinc/09/08/10/822090810.db2.gz GHPJVLKXGQWIFH-JOCHJYFZSA-N 1 1 391.563 4.045 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@](C)(O)c2ccccc2)c1 ZINC000182119004 822102242 /nfs/dbraw/zinc/10/22/42/822102242.db2.gz XEFDULQGWXZCNL-QHCPKHFHSA-N 1 1 377.488 4.291 20 0 GIADMO CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000182175577 822132893 /nfs/dbraw/zinc/13/28/93/822132893.db2.gz PDXCZJVEAJOWEZ-OXQOHEQNSA-N 1 1 399.535 4.123 20 0 GIADMO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182226117 822156459 /nfs/dbraw/zinc/15/64/59/822156459.db2.gz RVMXHEGXOAKKJT-UHFFFAOYSA-N 1 1 387.568 4.062 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)sc1Cl ZINC000182268712 822179758 /nfs/dbraw/zinc/17/97/58/822179758.db2.gz OCKWMDJBJQYYQV-DOMZBBRYSA-N 1 1 385.360 4.472 20 0 GIADMO COC(=O)c1ccc(-c2nc(C[NH2+][C@H](c3ncccc3C)C(C)C)co2)cc1 ZINC000182337895 822207577 /nfs/dbraw/zinc/20/75/77/822207577.db2.gz DGNBWXOGVGYZQL-IBGZPJMESA-N 1 1 379.460 4.319 20 0 GIADMO Cc1ccc([C@H](C)[NH2+]Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000182343375 822209121 /nfs/dbraw/zinc/20/91/21/822209121.db2.gz HRTDUJHHWDSKCO-HNNXBMFYSA-N 1 1 386.542 4.373 20 0 GIADMO C[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182353191 822211729 /nfs/dbraw/zinc/21/17/29/822211729.db2.gz ZWIVZGAKNHFVPL-HOCLYGCPSA-N 1 1 383.458 4.158 20 0 GIADMO CC[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccccc2F)n1)[C@@H]1CCCO1 ZINC000182361447 822215280 /nfs/dbraw/zinc/21/52/80/822215280.db2.gz FTTHADZWNOYCAH-AEFFLSMTSA-N 1 1 377.485 4.014 20 0 GIADMO CC[C@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1c(C)noc1C ZINC000182439509 822243376 /nfs/dbraw/zinc/24/33/76/822243376.db2.gz GWTRYPQNUZAUJZ-IBGZPJMESA-N 1 1 387.499 4.099 20 0 GIADMO Cc1sc2[nH]c(C[NH2+][C@H](C)c3ccc(C(F)(F)F)cc3)nc(=O)c2c1C ZINC000182462238 822252238 /nfs/dbraw/zinc/25/22/38/822252238.db2.gz OVOSRMPJSWQSDX-SNVBAGLBSA-N 1 1 381.423 4.471 20 0 GIADMO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](CC)c2c(C)noc2C)cc1 ZINC000182467026 822254490 /nfs/dbraw/zinc/25/44/90/822254490.db2.gz AGRZKQVWPCKFLT-UXHICEINSA-N 1 1 385.508 4.095 20 0 GIADMO C[C@@H](NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccoc1 ZINC000177985042 822269819 /nfs/dbraw/zinc/26/98/19/822269819.db2.gz WNNLVHGWXLFGEU-HXUWFJFHSA-N 1 1 375.516 4.453 20 0 GIADMO CCc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](C[N@H+](C)CC)C3)cn2)c1 ZINC000178014835 822283133 /nfs/dbraw/zinc/28/31/33/822283133.db2.gz ZLYMPHQTNPRBKB-SFHVURJKSA-N 1 1 382.508 4.242 20 0 GIADMO Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H](O)CCc2ccccc2)n1 ZINC000182540337 822291730 /nfs/dbraw/zinc/29/17/30/822291730.db2.gz SBUXQUFPCCBGKB-DEOSSOPVSA-N 1 1 375.516 4.089 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(OCc3ccccc3C)c2)C1 ZINC000178035265 822292049 /nfs/dbraw/zinc/29/20/49/822292049.db2.gz HFDZBBMFLYITKX-LJQANCHMSA-N 1 1 381.520 4.380 20 0 GIADMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000182564189 822304720 /nfs/dbraw/zinc/30/47/20/822304720.db2.gz LJWWNWXZCQVMON-OAHLLOKOSA-N 1 1 376.497 4.311 20 0 GIADMO C[C@H](CN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000182612412 822322204 /nfs/dbraw/zinc/32/22/04/822322204.db2.gz KPQDPGDQPWVGQK-VOBGVNJCSA-N 1 1 398.576 4.084 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(CO)cc1 ZINC000182627107 822328688 /nfs/dbraw/zinc/32/86/88/822328688.db2.gz HUDPFSLQLWDNFN-UHFFFAOYSA-N 1 1 381.303 4.336 20 0 GIADMO Cc1ccc(N2CCC(C(=O)Nc3ccn(-c4ccccc4Cl)n3)CC2)[nH+]c1 ZINC000178148458 822333422 /nfs/dbraw/zinc/33/34/22/822333422.db2.gz SDMQPQAYUCWPJY-UHFFFAOYSA-N 1 1 395.894 4.084 20 0 GIADMO Cc1cc(N2CCC(NC(=O)CCCCCc3cccs3)CC2)nc(C)[nH+]1 ZINC000178176269 822342792 /nfs/dbraw/zinc/34/27/92/822342792.db2.gz UHDHGEMKWNBABE-UHFFFAOYSA-N 1 1 386.565 4.043 20 0 GIADMO CSc1cnn(-c2ccccc2)c1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178192422 822348213 /nfs/dbraw/zinc/34/82/13/822348213.db2.gz ADVXEGSAMJHJPM-UHFFFAOYSA-N 1 1 399.564 4.076 20 0 GIADMO CSc1cc(C)ccc1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182724595 822358096 /nfs/dbraw/zinc/35/80/96/822358096.db2.gz NFEGMAYPAHANIB-FUHWJXTLSA-N 1 1 375.582 4.169 20 0 GIADMO Cc1ccccc1[C@H](C)CC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178252021 822358724 /nfs/dbraw/zinc/35/87/24/822358724.db2.gz JCEXXMUONHRZOS-NJYVYQBISA-N 1 1 386.580 4.227 20 0 GIADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H](C)Oc3ccc4ccccc4c3)n2C)CC1 ZINC000453422952 822360667 /nfs/dbraw/zinc/36/06/67/822360667.db2.gz LBHVFWAAXNOXKH-GOSISDBHSA-N 1 1 393.535 4.029 20 0 GIADMO CC[C@@H](C(=O)N1CCC([NH2+]C2CCN(C(C)(C)C)CC2)CC1)c1ccccc1 ZINC000178274993 822362183 /nfs/dbraw/zinc/36/21/83/822362183.db2.gz VBKOAIKNOKHSNQ-JOCHJYFZSA-N 1 1 385.596 4.024 20 0 GIADMO C[C@@H](N1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1)C(F)(F)F ZINC000178282366 822362946 /nfs/dbraw/zinc/36/29/46/822362946.db2.gz OEIFESZIKXQNJD-CQSZACIVSA-N 1 1 398.391 4.433 20 0 GIADMO C[C@H](NC(=O)NCc1cccc(-c2ccccn2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182759872 822363637 /nfs/dbraw/zinc/36/36/37/822363637.db2.gz QCARTUNSDFVPMR-RXVVDRJESA-N 1 1 392.547 4.201 20 0 GIADMO COc1ccc([C@H]([NH2+]CC(=O)N(C)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000178332630 822368010 /nfs/dbraw/zinc/36/80/10/822368010.db2.gz FTIHRPPRXACKRY-JOCHJYFZSA-N 1 1 398.503 4.233 20 0 GIADMO COc1ccc([C@@H]([NH2+]CC(=O)N(C)Cc2cccs2)c2ccc(F)cc2)cc1 ZINC000178332644 822368129 /nfs/dbraw/zinc/36/81/29/822368129.db2.gz FTIHRPPRXACKRY-QFIPXVFZSA-N 1 1 398.503 4.233 20 0 GIADMO Cc1cc(N2CCCC2)ccc1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182828734 822374394 /nfs/dbraw/zinc/37/43/94/822374394.db2.gz WWISBSNGMBVQOQ-MOPGFXCFSA-N 1 1 384.568 4.370 20 0 GIADMO NC(=[NH+]OCc1nnc(-c2ccccc2Cl)o1)C12CC3CC(CC(C3)C1)C2 ZINC000178405665 822376142 /nfs/dbraw/zinc/37/61/42/822376142.db2.gz OGJWGZHNQPFWJD-UHFFFAOYSA-N 1 1 386.883 4.395 20 0 GIADMO C[C@@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182851145 822378895 /nfs/dbraw/zinc/37/88/95/822378895.db2.gz SFFCRGAFWCFEKJ-GDBMZVCRSA-N 1 1 386.927 4.113 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182855722 822379727 /nfs/dbraw/zinc/37/97/27/822379727.db2.gz ABVDFDVPUMTMDV-HUUCEWRRSA-N 1 1 399.457 4.402 20 0 GIADMO CSCC[C@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)c1nnc2ccccn21 ZINC000178455284 822380677 /nfs/dbraw/zinc/38/06/77/822380677.db2.gz RTZSZMHBASDJFM-KXBFYZLASA-N 1 1 377.517 4.423 20 0 GIADMO C[C@H](NC(=O)N1CCC(COc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182861072 822380946 /nfs/dbraw/zinc/38/09/46/822380946.db2.gz UGNYHXRYJTVCHE-PZJWPPBQSA-N 1 1 399.579 4.140 20 0 GIADMO C[C@H](NC(=O)Nc1nnc(-c2ccsc2)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182860632 822381050 /nfs/dbraw/zinc/38/10/50/822381050.db2.gz FZYAOUMJTDKLEO-QWHCGFSZSA-N 1 1 391.566 4.041 20 0 GIADMO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(F)c1 ZINC000182872062 822383328 /nfs/dbraw/zinc/38/33/28/822383328.db2.gz DLFLPMAMPKMOPP-ZDUSSCGKSA-N 1 1 385.414 4.096 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182887674 822386373 /nfs/dbraw/zinc/38/63/73/822386373.db2.gz SCTAUVUDTZGSNB-QWHCGFSZSA-N 1 1 398.320 4.363 20 0 GIADMO Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CCC2 ZINC000182889967 822386754 /nfs/dbraw/zinc/38/67/54/822386754.db2.gz LGAOQAVMMVGIPJ-IDHHARJASA-N 1 1 390.597 4.123 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000178526191 822387966 /nfs/dbraw/zinc/38/79/66/822387966.db2.gz GJEVYUYOLZHUQT-NEPJUHHUSA-N 1 1 387.423 4.242 20 0 GIADMO C[C@@H](NC(=O)CSc1nccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182898146 822388399 /nfs/dbraw/zinc/38/83/99/822388399.db2.gz LJWYSYYHRBPZHS-SJLPKXTDSA-N 1 1 383.561 4.096 20 0 GIADMO C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182899932 822388885 /nfs/dbraw/zinc/38/88/85/822388885.db2.gz ACYHLWFNXMHHRR-OLZOCXBDSA-N 1 1 380.876 4.023 20 0 GIADMO C[C@@H](NC(=O)Nc1ccccc1N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182902555 822389471 /nfs/dbraw/zinc/38/94/71/822389471.db2.gz BTWAYDTZTWOMQC-MOPGFXCFSA-N 1 1 384.568 4.451 20 0 GIADMO CCOc1ccc(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1CO ZINC000182905610 822390003 /nfs/dbraw/zinc/39/00/03/822390003.db2.gz OXQWHMOPQMQDNJ-UHFFFAOYSA-N 1 1 392.902 4.447 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NCc2sc(C)cc2Br)[C@H](C)C1 ZINC000453592371 822390101 /nfs/dbraw/zinc/39/01/01/822390101.db2.gz RCXIXUNJVHOZKS-CJNGLKHVSA-N 1 1 389.403 4.046 20 0 GIADMO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000178572361 822392832 /nfs/dbraw/zinc/39/28/32/822392832.db2.gz OKKQVYPEAJKENY-IEBWSBKVSA-N 1 1 381.545 4.207 20 0 GIADMO COCCN1[C@H](C)C[N@H+](CCSc2ccnc3cc(Cl)ccc32)C[C@@H]1C ZINC000182926800 822394255 /nfs/dbraw/zinc/39/42/55/822394255.db2.gz ONPIUIIIPKMMDV-IYBDPMFKSA-N 1 1 393.984 4.021 20 0 GIADMO COCC[N@H+]1[C@H](C)CN(CCSc2ccnc3cc(Cl)ccc32)C[C@@H]1C ZINC000182926800 822394260 /nfs/dbraw/zinc/39/42/60/822394260.db2.gz ONPIUIIIPKMMDV-IYBDPMFKSA-N 1 1 393.984 4.021 20 0 GIADMO COCC[N@@H+]1[C@H](C)CN(CCSc2ccnc3cc(Cl)ccc32)C[C@@H]1C ZINC000182926800 822394265 /nfs/dbraw/zinc/39/42/65/822394265.db2.gz ONPIUIIIPKMMDV-IYBDPMFKSA-N 1 1 393.984 4.021 20 0 GIADMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCSc3ccnc4cc(Cl)ccc43)[C@@H]2C1 ZINC000182933806 822395608 /nfs/dbraw/zinc/39/56/08/822395608.db2.gz CLYPJKFDPCUVAM-LZQZEXGQSA-N 1 1 392.952 4.249 20 0 GIADMO C[C@@H](NC(=O)N(C)CCOc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182938338 822396339 /nfs/dbraw/zinc/39/63/39/822396339.db2.gz HKLDGROOPKVYLV-SJORKVTESA-N 1 1 393.959 4.013 20 0 GIADMO Cc1sc([C@@H](C)NC(=O)c2csc(C[NH3+])n2)nc1-c1ccc(Cl)cc1 ZINC000178626586 822397430 /nfs/dbraw/zinc/39/74/30/822397430.db2.gz ZSDUFOVKPXHJIT-SECBINFHSA-N 1 1 392.937 4.178 20 0 GIADMO COCC[C@H](C)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000182968877 822401574 /nfs/dbraw/zinc/40/15/74/822401574.db2.gz NOAZWJNFEUSXLP-KRWDZBQOSA-N 1 1 384.520 4.099 20 0 GIADMO Cn1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(C2CCCCC2)n1 ZINC000182972980 822402416 /nfs/dbraw/zinc/40/24/16/822402416.db2.gz GZNCTKUCYMFLDR-IBGZPJMESA-N 1 1 396.583 4.165 20 0 GIADMO COc1cc(-c2noc(C[NH+]3CCC(Nc4ccc(F)cc4)CC3)n2)ccc1C ZINC000178695876 822403632 /nfs/dbraw/zinc/40/36/32/822403632.db2.gz IUGUWKSBRASPMM-UHFFFAOYSA-N 1 1 396.466 4.269 20 0 GIADMO CC[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H](C)c1cccc(O)c1 ZINC000178712295 822404882 /nfs/dbraw/zinc/40/48/82/822404882.db2.gz UVAIMIYHRJAPBA-AWEZNQCLSA-N 1 1 381.501 4.198 20 0 GIADMO CC[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)[C@@H](C)c1cccc(O)c1 ZINC000178712295 822404884 /nfs/dbraw/zinc/40/48/84/822404884.db2.gz UVAIMIYHRJAPBA-AWEZNQCLSA-N 1 1 381.501 4.198 20 0 GIADMO Cc1c([C@H](C)[NH2+]Cc2ccc(Br)s2)nnn1-c1ccc(F)cc1 ZINC000178713661 822405092 /nfs/dbraw/zinc/40/50/92/822405092.db2.gz UXSPISIUSTXLDU-JTQLQIEISA-N 1 1 395.301 4.390 20 0 GIADMO O=C(CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Cl ZINC000045681326 822405252 /nfs/dbraw/zinc/40/52/52/822405252.db2.gz ZOQYNFGFVLGHSY-SFHVURJKSA-N 1 1 386.879 4.277 20 0 GIADMO C[C@@H](CNC(=S)Nc1ccc(OC(F)F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000045712257 822407092 /nfs/dbraw/zinc/40/70/92/822407092.db2.gz HZVHPIXDRXGVFT-AWEZNQCLSA-N 1 1 391.487 4.021 20 0 GIADMO CC[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(Cl)s1 ZINC000183004980 822409681 /nfs/dbraw/zinc/40/96/81/822409681.db2.gz KFNORMGSWXJWHX-JKSUJKDBSA-N 1 1 377.941 4.414 20 0 GIADMO Cc1nc(C(C)C)sc1[C@@H](C)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000183011851 822411041 /nfs/dbraw/zinc/41/10/41/822411041.db2.gz GHAXMNIPSATUNK-RDTXWAMCSA-N 1 1 386.565 4.198 20 0 GIADMO COc1ccccc1CN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000045786397 822413455 /nfs/dbraw/zinc/41/34/55/822413455.db2.gz XQWINAKTLCLJRX-LJQANCHMSA-N 1 1 395.547 4.269 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1nc2ccccc2s1 ZINC000045788954 822414040 /nfs/dbraw/zinc/41/40/40/822414040.db2.gz DKUWFBVXMUGVGQ-UHFFFAOYSA-N 1 1 396.560 4.178 20 0 GIADMO Cc1cnc([C@H](C)[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000183030155 822414350 /nfs/dbraw/zinc/41/43/50/822414350.db2.gz HJCUFQGTARUKFJ-BBRMVZONSA-N 1 1 397.466 4.312 20 0 GIADMO CC(C)=CCC[C@H](C)NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000453848115 822416177 /nfs/dbraw/zinc/41/61/77/822416177.db2.gz KJABTDZTQTXNEQ-SFHVURJKSA-N 1 1 396.535 4.244 20 0 GIADMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000183048299 822417288 /nfs/dbraw/zinc/41/72/88/822417288.db2.gz XQLPYOADVVSINX-MSYCTHLASA-N 1 1 391.559 4.349 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183121965 822427354 /nfs/dbraw/zinc/42/73/54/822427354.db2.gz JLVNQOHGWCHTGW-LOTPSLMQSA-N 1 1 397.485 4.167 20 0 GIADMO CN(C)c1cccc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)n1 ZINC000179031492 822431547 /nfs/dbraw/zinc/43/15/47/822431547.db2.gz RUZGKKLJVCVRBI-UHFFFAOYSA-N 1 1 394.906 4.343 20 0 GIADMO C[N@@H+]1CC[C@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1c1ccccc1 ZINC000179045682 822433173 /nfs/dbraw/zinc/43/31/73/822433173.db2.gz HLSINKHCAYWYAD-RXVVDRJESA-N 1 1 393.512 4.074 20 0 GIADMO C[N@H+]1CC[C@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1c1ccccc1 ZINC000179045682 822433175 /nfs/dbraw/zinc/43/31/75/822433175.db2.gz HLSINKHCAYWYAD-RXVVDRJESA-N 1 1 393.512 4.074 20 0 GIADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000046008502 822433999 /nfs/dbraw/zinc/43/39/99/822433999.db2.gz IGNKKTVNJWSMOI-HNNXBMFYSA-N 1 1 387.446 4.261 20 0 GIADMO CC[C@H](CSc1ccccc1)NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000179075414 822435846 /nfs/dbraw/zinc/43/58/46/822435846.db2.gz BXGXRSBEKKTOFK-LJQANCHMSA-N 1 1 383.561 4.294 20 0 GIADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc2cc(C)cc(Br)c2o1 ZINC000183176622 822436080 /nfs/dbraw/zinc/43/60/80/822436080.db2.gz IKJZEPXEGNHKAH-GFCCVEGCSA-N 1 1 390.281 4.075 20 0 GIADMO CCOc1ccc(-c2nc(C[N@@H+](C)[C@H](CO)C(C)(C)C)cs2)cc1OC ZINC000179081606 822436390 /nfs/dbraw/zinc/43/63/90/822436390.db2.gz WXLULPBQYHSHMK-GOSISDBHSA-N 1 1 378.538 4.056 20 0 GIADMO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179094790 822437668 /nfs/dbraw/zinc/43/76/68/822437668.db2.gz WCYAHYHHHNIXDU-GFCCVEGCSA-N 1 1 380.439 4.428 20 0 GIADMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179094790 822437671 /nfs/dbraw/zinc/43/76/71/822437671.db2.gz WCYAHYHHHNIXDU-GFCCVEGCSA-N 1 1 380.439 4.428 20 0 GIADMO CCn1c2ccc(F)cc2nc1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183186345 822437740 /nfs/dbraw/zinc/43/77/40/822437740.db2.gz HOKGAKXUQLUKKN-UHFFFAOYSA-N 1 1 395.404 4.248 20 0 GIADMO Cc1noc(C)c1C[N@@H+](C)C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000046060704 822438408 /nfs/dbraw/zinc/43/84/08/822438408.db2.gz VVHLBFROWYQSBH-ISKFKSNPSA-N 1 1 394.515 4.199 20 0 GIADMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000454207683 822438817 /nfs/dbraw/zinc/43/88/17/822438817.db2.gz PNOPALBLFJANFA-UHFFFAOYSA-N 1 1 396.535 4.017 20 0 GIADMO Cc1cccc(C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)c1Cl ZINC000179118846 822440143 /nfs/dbraw/zinc/44/01/43/822440143.db2.gz KMIUTOAHSCWFLV-SFHVURJKSA-N 1 1 399.922 4.067 20 0 GIADMO O=C(c1nc2cc(Cl)ccc2s1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000454236005 822441902 /nfs/dbraw/zinc/44/19/02/822441902.db2.gz DQDNCTRQJCPKAU-IYBDPMFKSA-N 1 1 397.931 4.154 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)cc1F ZINC000183220193 822443403 /nfs/dbraw/zinc/44/34/03/822443403.db2.gz DLDPNXKKRNSUNV-QVKFZJNVSA-N 1 1 393.466 4.008 20 0 GIADMO CC(C)Cn1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cn1 ZINC000183228705 822444672 /nfs/dbraw/zinc/44/46/72/822444672.db2.gz FPXNHSKNRGPGJP-GOSISDBHSA-N 1 1 383.471 4.108 20 0 GIADMO Cc1c(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cnn1-c1ccccn1 ZINC000046156332 822445601 /nfs/dbraw/zinc/44/56/01/822445601.db2.gz HWSCMXMTWCNTBN-QGZVFWFLSA-N 1 1 389.503 4.060 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cn1)c1ccc(F)cc1 ZINC000179161635 822445873 /nfs/dbraw/zinc/44/58/73/822445873.db2.gz DJXLMKBYJWNPNI-ROUUACIJSA-N 1 1 379.273 4.071 20 0 GIADMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000179160751 822445840 /nfs/dbraw/zinc/44/58/40/822445840.db2.gz CLTAWXWLAQATMT-AQKFKSFVSA-N 1 1 384.495 4.303 20 0 GIADMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cn1)c1ccc(F)cc1 ZINC000179161635 822445874 /nfs/dbraw/zinc/44/58/74/822445874.db2.gz DJXLMKBYJWNPNI-ROUUACIJSA-N 1 1 379.273 4.071 20 0 GIADMO COc1ccc(C[N@@H+](C)C[C@@H](C)c2nccs2)cc1OCc1cccnc1 ZINC000183249131 822448343 /nfs/dbraw/zinc/44/83/43/822448343.db2.gz ZRWAJAUXRXHDMM-MRXNPFEDSA-N 1 1 383.517 4.361 20 0 GIADMO CCOc1ccc(Oc2cc(C[NH2+][C@@H](c3nccn3C)C3CC3)ccn2)cc1 ZINC000183251904 822448638 /nfs/dbraw/zinc/44/86/38/822448638.db2.gz ZZHNBMPWWOMRDL-OAQYLSRUSA-N 1 1 378.476 4.247 20 0 GIADMO C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202951 822450295 /nfs/dbraw/zinc/45/02/95/822450295.db2.gz MOARWHXGMONISR-DZGCQCFKSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ncc(Br)s1 ZINC000179202951 822450297 /nfs/dbraw/zinc/45/02/97/822450297.db2.gz MOARWHXGMONISR-DZGCQCFKSA-N 1 1 380.355 4.221 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ncc(Br)s1 ZINC000179211679 822451893 /nfs/dbraw/zinc/45/18/93/822451893.db2.gz QDCXLFZCGFZJIB-DTWKUNHWSA-N 1 1 377.254 4.302 20 0 GIADMO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ncc(Br)s1 ZINC000179216383 822452896 /nfs/dbraw/zinc/45/28/96/822452896.db2.gz OHEAMABXARDKRJ-QFYYESIMSA-N 1 1 395.322 4.479 20 0 GIADMO CC(C)N(CCc1nccs1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000179220171 822453120 /nfs/dbraw/zinc/45/31/20/822453120.db2.gz JYKFJYIEUVBJIN-QGZVFWFLSA-N 1 1 394.972 4.062 20 0 GIADMO CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ncc(Br)s2)cc1 ZINC000179231603 822454500 /nfs/dbraw/zinc/45/45/00/822454500.db2.gz SWAWIHLNPZNHDY-FZMZJTMJSA-N 1 1 385.327 4.077 20 0 GIADMO COC[C@@H]([NH2+]Cc1cccc(Br)c1OC)c1ccc(F)c(F)c1 ZINC000183323416 822459076 /nfs/dbraw/zinc/45/90/76/822459076.db2.gz NQXFNFSDNCRZNF-MRXNPFEDSA-N 1 1 386.236 4.213 20 0 GIADMO O=C(c1cnc2ccc(F)cc2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000179276885 822460040 /nfs/dbraw/zinc/46/00/40/822460040.db2.gz PNKSXYCDRVLMHB-UHFFFAOYSA-N 1 1 391.490 4.155 20 0 GIADMO O[C@H](COCc1ccccc1F)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000046344434 822463898 /nfs/dbraw/zinc/46/38/98/822463898.db2.gz FVCWKWVWOXAFBX-QFBILLFUSA-N 1 1 386.492 4.150 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(Cl)c(Cl)n2C)C[C@H](C)O1 ZINC000046345074 822464184 /nfs/dbraw/zinc/46/41/84/822464184.db2.gz XCJDZXKUMBVZOK-BETUJISGSA-N 1 1 396.318 4.193 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(Cl)c(Cl)n2C)C[C@H](C)O1 ZINC000046345074 822464187 /nfs/dbraw/zinc/46/41/87/822464187.db2.gz XCJDZXKUMBVZOK-BETUJISGSA-N 1 1 396.318 4.193 20 0 GIADMO O=C(Cc1ccccc1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000179328520 822466961 /nfs/dbraw/zinc/46/69/61/822466961.db2.gz BBBOFADTDIRDSI-UHFFFAOYSA-N 1 1 377.315 4.317 20 0 GIADMO C[C@H]1C[N@H+](Cc2cccc(CN[C@H](c3ccco3)c3ccccc3)c2)CCO1 ZINC000183404794 822468934 /nfs/dbraw/zinc/46/89/34/822468934.db2.gz ALQJMNFZZRVCME-CYFREDJKSA-N 1 1 376.500 4.380 20 0 GIADMO C[C@H]1C[N@@H+](Cc2cccc(CN[C@H](c3ccco3)c3ccccc3)c2)CCO1 ZINC000183404794 822468936 /nfs/dbraw/zinc/46/89/36/822468936.db2.gz ALQJMNFZZRVCME-CYFREDJKSA-N 1 1 376.500 4.380 20 0 GIADMO C[C@H]1CN(Cc2cccc(C[NH2+][C@H](c3ccco3)c3ccccc3)c2)CCO1 ZINC000183404794 822468939 /nfs/dbraw/zinc/46/89/39/822468939.db2.gz ALQJMNFZZRVCME-CYFREDJKSA-N 1 1 376.500 4.380 20 0 GIADMO CCC(CC)n1nc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1C ZINC000183405527 822469138 /nfs/dbraw/zinc/46/91/38/822469138.db2.gz MHZPFLPDXHPCBG-UHFFFAOYSA-N 1 1 386.565 4.354 20 0 GIADMO Cc1cccc(CSCC(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1 ZINC000046403620 822470406 /nfs/dbraw/zinc/47/04/06/822470406.db2.gz QIQAPKMNIYWYKF-UHFFFAOYSA-N 1 1 383.561 4.009 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)cc2)CC1 ZINC000046403939 822470449 /nfs/dbraw/zinc/47/04/49/822470449.db2.gz UIPXCWPQGOANNI-UHFFFAOYSA-N 1 1 393.462 4.480 20 0 GIADMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc(C(C)C)cc2C(C)C)CC1 ZINC000454407936 822470672 /nfs/dbraw/zinc/47/06/72/822470672.db2.gz LACNBMBUKJACIA-UHFFFAOYSA-N 1 1 388.600 4.471 20 0 GIADMO C[N@H+]1CCCN(c2ccc(NC(=O)C3(c4cccc(F)c4)CCC3)cc2)CC1 ZINC000046404072 822470729 /nfs/dbraw/zinc/47/07/29/822470729.db2.gz WBDCOPBZWPFDNJ-UHFFFAOYSA-N 1 1 381.495 4.028 20 0 GIADMO Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000046404581 822470864 /nfs/dbraw/zinc/47/08/64/822470864.db2.gz PIWVRGFUNJVDLX-UHFFFAOYSA-N 1 1 392.478 4.077 20 0 GIADMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(Cc3cccc(F)c3)C3CC3)cc2)C[C@H](C)O1 ZINC000046436884 822473096 /nfs/dbraw/zinc/47/30/96/822473096.db2.gz OMAXIIZNIKQPKQ-ROUUACIJSA-N 1 1 396.506 4.240 20 0 GIADMO Cc1ncc(C[N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)s1 ZINC000179382268 822474483 /nfs/dbraw/zinc/47/44/83/822474483.db2.gz IPFNMDLGEFNJRT-UHFFFAOYSA-N 1 1 375.501 4.331 20 0 GIADMO Cc1ncc(C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)s1 ZINC000179382268 822474486 /nfs/dbraw/zinc/47/44/86/822474486.db2.gz IPFNMDLGEFNJRT-UHFFFAOYSA-N 1 1 375.501 4.331 20 0 GIADMO C[C@@H](NC(=O)Nc1cccc(COCC2CC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183441550 822475611 /nfs/dbraw/zinc/47/56/11/822475611.db2.gz FWCBPJFWOOQKBU-XLIONFOSSA-N 1 1 385.552 4.388 20 0 GIADMO CCn1c(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc2cc(F)ccc21 ZINC000179392048 822476098 /nfs/dbraw/zinc/47/60/98/822476098.db2.gz JBPXZAIRUZWXSH-UHFFFAOYSA-N 1 1 395.526 4.329 20 0 GIADMO CC(=O)c1ccc(Oc2ccc(C(=O)NC[C@@H](C)Cn3cc[nH+]c3C)cc2)cc1 ZINC000179395630 822476489 /nfs/dbraw/zinc/47/64/89/822476489.db2.gz UXMHYCMQPORWDV-MRXNPFEDSA-N 1 1 391.471 4.253 20 0 GIADMO COc1cc(CNc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)ccc1O ZINC000046484691 822477374 /nfs/dbraw/zinc/47/73/74/822477374.db2.gz RUYQAZGGZWBNKX-UHFFFAOYSA-N 1 1 398.532 4.230 20 0 GIADMO C[C@@H](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000183456747 822477737 /nfs/dbraw/zinc/47/77/37/822477737.db2.gz PSSWDZPPISYPNK-MAUKXSAKSA-N 1 1 388.895 4.095 20 0 GIADMO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(F)cc3Br)c(C)n2n1 ZINC000179404883 822478037 /nfs/dbraw/zinc/47/80/37/822478037.db2.gz DBCDYCSMLOIEJV-NSHDSACASA-N 1 1 377.261 4.099 20 0 GIADMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C ZINC000454461835 822479324 /nfs/dbraw/zinc/47/93/24/822479324.db2.gz SQMZCUDOYPUPOA-FQEVSTJZSA-N 1 1 394.519 4.195 20 0 GIADMO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000179417072 822479543 /nfs/dbraw/zinc/47/95/43/822479543.db2.gz LSVSEKCQGGELOE-HNNXBMFYSA-N 1 1 396.354 4.080 20 0 GIADMO CNC(=O)c1ccc(C[N@@H+](Cc2cc(Cl)cc3cccnc32)C2CC2)cc1 ZINC000046511325 822480001 /nfs/dbraw/zinc/48/00/01/822480001.db2.gz ZSEGEAJSRPNHLR-UHFFFAOYSA-N 1 1 379.891 4.412 20 0 GIADMO Cc1cc2ncc([C@@H](C)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c(C)n2n1 ZINC000179428126 822481152 /nfs/dbraw/zinc/48/11/52/822481152.db2.gz NQKGKXJWFYBHQX-AMZGXZFVSA-N 1 1 389.547 4.192 20 0 GIADMO CC(=O)Nc1cc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)ccc1C ZINC000454489067 822483545 /nfs/dbraw/zinc/48/35/45/822483545.db2.gz LCKPYTUBUWDEKD-UHFFFAOYSA-N 1 1 394.519 4.130 20 0 GIADMO O=c1ccccn1Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183487633 822483943 /nfs/dbraw/zinc/48/39/43/822483943.db2.gz LJKZKJZGYJOPQN-VWLOTQADSA-N 1 1 399.469 4.310 20 0 GIADMO C[C@@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183486743 822483999 /nfs/dbraw/zinc/48/39/99/822483999.db2.gz WYVABGMJPVOZNZ-CABCVRRESA-N 1 1 378.948 4.181 20 0 GIADMO Cc1cnn(-c2ccc(NC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc2F)c1 ZINC000183488106 822484213 /nfs/dbraw/zinc/48/42/13/822484213.db2.gz AADUNJWUTDHRRI-IAGOWNOFSA-N 1 1 399.514 4.094 20 0 GIADMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000454498212 822485312 /nfs/dbraw/zinc/48/53/12/822485312.db2.gz SWAZFJXHIKKNLG-FCHUYYIVSA-N 1 1 398.934 4.187 20 0 GIADMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2Cl)cc1OC ZINC000183503728 822486978 /nfs/dbraw/zinc/48/69/78/822486978.db2.gz DYTTXAMEPKUHSG-QWHCGFSZSA-N 1 1 394.874 4.024 20 0 GIADMO CCc1nnc(-c2ccc(NC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc2)o1 ZINC000183503796 822487200 /nfs/dbraw/zinc/48/72/00/822487200.db2.gz ISIDSHAXBJJHBB-WBVHZDCISA-N 1 1 397.523 4.074 20 0 GIADMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)[C@H](C)C1 ZINC000183518581 822489123 /nfs/dbraw/zinc/48/91/23/822489123.db2.gz BYGXSRIFBJOLBY-CXAGYDPISA-N 1 1 383.483 4.336 20 0 GIADMO CC[C@H]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000454517614 822489484 /nfs/dbraw/zinc/48/94/84/822489484.db2.gz VBVVPRAJWCJNNX-PMACEKPBSA-N 1 1 390.572 4.019 20 0 GIADMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2Br)[C@@H]1c1ccccc1 ZINC000179483932 822489593 /nfs/dbraw/zinc/48/95/93/822489593.db2.gz ZZKKNNRQMPDRFV-SJORKVTESA-N 1 1 392.272 4.155 20 0 GIADMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000454520790 822490605 /nfs/dbraw/zinc/49/06/05/822490605.db2.gz PLVXIDBHSPYURQ-SPEDKVCISA-N 1 1 387.568 4.061 20 0 GIADMO Cc1csc([C@@H]([NH2+]CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000183548021 822493184 /nfs/dbraw/zinc/49/31/84/822493184.db2.gz QLONJIHYRLCAMT-KRWDZBQOSA-N 1 1 398.359 4.458 20 0 GIADMO C[NH+](C)CCOc1cc(CN[C@H]2CC3(CCCCC3)Oc3ccccc32)ccn1 ZINC000179509540 822493366 /nfs/dbraw/zinc/49/33/66/822493366.db2.gz PZTJXIPIRIREMD-NRFANRHFSA-N 1 1 395.547 4.338 20 0 GIADMO Cc1csc([C@H]([NH2+][C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C2CC2)n1 ZINC000183559340 822494696 /nfs/dbraw/zinc/49/46/96/822494696.db2.gz MDYDGEHTIOCUJL-HZPDHXFCSA-N 1 1 395.450 4.317 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N3CCC[C@H]3c3ccc(F)cc3C)CC2)[nH+]c1 ZINC000454548123 822495165 /nfs/dbraw/zinc/49/51/65/822495165.db2.gz KSLJZBDYOTYIFJ-NRFANRHFSA-N 1 1 396.510 4.353 20 0 GIADMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C2 ZINC000179531301 822498284 /nfs/dbraw/zinc/49/82/84/822498284.db2.gz YLORFASKPRPORW-UHFFFAOYSA-N 1 1 380.879 4.247 20 0 GIADMO O=C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000046667984 822501230 /nfs/dbraw/zinc/50/12/30/822501230.db2.gz QNTBFHGZXXHVPR-UHFFFAOYSA-N 1 1 391.540 4.318 20 0 GIADMO C[C@H]([NH2+][C@H](c1cccc(F)c1)c1ccccn1)c1ccc(NS(C)(=O)=O)cc1 ZINC000179553703 822502438 /nfs/dbraw/zinc/50/24/38/822502438.db2.gz VJFALNFUGWMIBQ-YCRPNKLZSA-N 1 1 399.491 4.032 20 0 GIADMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000454611618 822506007 /nfs/dbraw/zinc/50/60/07/822506007.db2.gz JSTJNRGATSNPFZ-UHFFFAOYSA-N 1 1 396.535 4.017 20 0 GIADMO CCN(CC)C(=O)CCC1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000183668403 822508437 /nfs/dbraw/zinc/50/84/37/822508437.db2.gz XRYXMBKJXRJTNR-UHFFFAOYSA-N 1 1 391.503 4.331 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)Nc1ccccc1OCCF ZINC000454627485 822508844 /nfs/dbraw/zinc/50/88/44/822508844.db2.gz GJNPDCDIDZLDTA-UHFFFAOYSA-N 1 1 389.496 4.228 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000454630338 822509311 /nfs/dbraw/zinc/50/93/11/822509311.db2.gz YNYDJVQKHCRWBW-JFRXWTBNSA-N 1 1 397.485 4.269 20 0 GIADMO O=C(Cc1ccsc1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000046723995 822509918 /nfs/dbraw/zinc/50/99/18/822509918.db2.gz CDDLITICKVCTJK-LJQANCHMSA-N 1 1 382.554 4.268 20 0 GIADMO O=C(Cc1ccsc1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000046723995 822509920 /nfs/dbraw/zinc/50/99/20/822509920.db2.gz CDDLITICKVCTJK-LJQANCHMSA-N 1 1 382.554 4.268 20 0 GIADMO CSCCCCCCNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000183677772 822510105 /nfs/dbraw/zinc/51/01/05/822510105.db2.gz PUYSWCMNALPXBU-KRWDZBQOSA-N 1 1 379.570 4.125 20 0 GIADMO CC(C)C[C@H]([NH2+][C@H](C)c1nc2c(s1)CCCC2)C(=O)Nc1nccs1 ZINC000179599934 822510242 /nfs/dbraw/zinc/51/02/42/822510242.db2.gz FHBAHDVPXCIGPA-OCCSQVGLSA-N 1 1 378.567 4.182 20 0 GIADMO CC(C)C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)C(=O)Nc1nccs1 ZINC000179599921 822510320 /nfs/dbraw/zinc/51/03/20/822510320.db2.gz FHBAHDVPXCIGPA-GXTWGEPZSA-N 1 1 378.567 4.182 20 0 GIADMO CC(=O)N(c1nc(C[NH2+][C@@H](CCO)C(C)(C)C)cs1)c1ccc(C)cc1C ZINC000183690454 822511984 /nfs/dbraw/zinc/51/19/84/822511984.db2.gz HQLSIQYQCNLSSX-IBGZPJMESA-N 1 1 389.565 4.331 20 0 GIADMO COc1ccc(C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)c(OC)c1 ZINC000179618036 822513793 /nfs/dbraw/zinc/51/37/93/822513793.db2.gz XUEYWLVORBOWNM-UHFFFAOYSA-N 1 1 378.472 4.310 20 0 GIADMO O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000183721612 822516586 /nfs/dbraw/zinc/51/65/86/822516586.db2.gz VJVRAFPDYGMBOH-RBBKRZOGSA-N 1 1 381.495 4.081 20 0 GIADMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000183726997 822517484 /nfs/dbraw/zinc/51/74/84/822517484.db2.gz YQSXNBUPWICPBQ-ZDUSSCGKSA-N 1 1 377.282 4.198 20 0 GIADMO Cc1cccc([C@H](C)[NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)c1C ZINC000183737646 822519391 /nfs/dbraw/zinc/51/93/91/822519391.db2.gz OEDYCGVIBTWTJL-AWEZNQCLSA-N 1 1 375.398 4.149 20 0 GIADMO COc1ccc([C@H]([NH2+]Cc2nc(-c3ccc(C)c(OC)c3)no2)C2CC2)cc1 ZINC000179680050 822525849 /nfs/dbraw/zinc/52/58/49/822525849.db2.gz VQCSOFNXSZNXOJ-OAQYLSRUSA-N 1 1 379.460 4.303 20 0 GIADMO Cc1csc(CNC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000454743363 822526715 /nfs/dbraw/zinc/52/67/15/822526715.db2.gz UNZMOQCYOHNULX-RDTXWAMCSA-N 1 1 395.931 4.341 20 0 GIADMO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(OCc3ccncc3)cc2)c1C ZINC000183780456 822527665 /nfs/dbraw/zinc/52/76/65/822527665.db2.gz YZJCNSPEMYQXFC-UHFFFAOYSA-N 1 1 377.488 4.313 20 0 GIADMO COc1c(C)c[nH+]c(CN(C)Cc2ccc(OCc3ccncc3)cc2)c1C ZINC000183780456 822527669 /nfs/dbraw/zinc/52/76/69/822527669.db2.gz YZJCNSPEMYQXFC-UHFFFAOYSA-N 1 1 377.488 4.313 20 0 GIADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000046918903 822530509 /nfs/dbraw/zinc/53/05/09/822530509.db2.gz HEWXJEORONBGAN-IYBDPMFKSA-N 1 1 387.911 4.271 20 0 GIADMO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1ccccc1OCC(=O)OC ZINC000183809386 822530597 /nfs/dbraw/zinc/53/05/97/822530597.db2.gz CLTZDHLNPVUTGE-CQSZACIVSA-N 1 1 377.868 4.141 20 0 GIADMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2nnc4ccccn42)CCC3)cc1 ZINC000183816355 822531062 /nfs/dbraw/zinc/53/10/62/822531062.db2.gz XCXNPLVRAPEPON-INIZCTEOSA-N 1 1 391.500 4.029 20 0 GIADMO Cc1cc(=O)n2nc(C[NH2+][C@@H](CC(C)(C)C)c3ccc(Cl)cc3)sc2n1 ZINC000179711239 822532697 /nfs/dbraw/zinc/53/26/97/822532697.db2.gz IMLRUTVJYAQXNM-HNNXBMFYSA-N 1 1 390.940 4.380 20 0 GIADMO Cc1csc(CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)n1 ZINC000046942622 822533105 /nfs/dbraw/zinc/53/31/05/822533105.db2.gz DNWWMEIIKMJUQX-UHFFFAOYSA-N 1 1 383.521 4.184 20 0 GIADMO CC(C)C[C@H]([NH2+]Cc1csc(CC(=O)N(C)C)n1)c1ccc(Cl)cc1 ZINC000179720793 822534914 /nfs/dbraw/zinc/53/49/14/822534914.db2.gz WSDMTCJGVNPVOX-KRWDZBQOSA-N 1 1 379.957 4.304 20 0 GIADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000046990466 822536103 /nfs/dbraw/zinc/53/61/03/822536103.db2.gz RRZCWPBVNYVKRM-QGZVFWFLSA-N 1 1 387.499 4.042 20 0 GIADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1oc2ccccc2c1COc1ccccc1 ZINC000046993978 822536312 /nfs/dbraw/zinc/53/63/12/822536312.db2.gz GDCRZMBHLQKBFP-NHCUHLMSSA-N 1 1 390.483 4.368 20 0 GIADMO C[C@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)[N@@H+]1CCc2sccc2C1 ZINC000047010885 822537621 /nfs/dbraw/zinc/53/76/21/822537621.db2.gz GUYOZOBDYDXUPT-MRXNPFEDSA-N 1 1 399.516 4.093 20 0 GIADMO C[C@H](CNC(=O)N(Cc1ccco1)Cc1ccco1)[N@H+]1CCc2sccc2C1 ZINC000047010885 822537626 /nfs/dbraw/zinc/53/76/26/822537626.db2.gz GUYOZOBDYDXUPT-MRXNPFEDSA-N 1 1 399.516 4.093 20 0 GIADMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000454814596 822539596 /nfs/dbraw/zinc/53/95/96/822539596.db2.gz WDOXVMXJTZBYQC-LJQANCHMSA-N 1 1 391.581 4.047 20 0 GIADMO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1nc(-c2cccs2)no1 ZINC000179738445 822539644 /nfs/dbraw/zinc/53/96/44/822539644.db2.gz IQSGZFGGPVPONK-XIKOKIGWSA-N 1 1 383.473 4.371 20 0 GIADMO C[C@@H](F)CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000454817160 822539983 /nfs/dbraw/zinc/53/99/83/822539983.db2.gz NUNYLLDZHXCXBY-GFCCVEGCSA-N 1 1 376.303 4.005 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000179742646 822540731 /nfs/dbraw/zinc/54/07/31/822540731.db2.gz XZDUSZMOEBSOFT-ZDUSSCGKSA-N 1 1 390.858 4.288 20 0 GIADMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000179742571 822540745 /nfs/dbraw/zinc/54/07/45/822540745.db2.gz FOFPSHGKAKZNOT-IBGZPJMESA-N 1 1 397.519 4.007 20 0 GIADMO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(OC(F)F)c1 ZINC000179744334 822541468 /nfs/dbraw/zinc/54/14/68/822541468.db2.gz WOENSQKGKIYCRO-UHFFFAOYSA-N 1 1 390.430 4.147 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000179749780 822542456 /nfs/dbraw/zinc/54/24/56/822542456.db2.gz AXKXTGDKDNOODH-GOSISDBHSA-N 1 1 382.504 4.012 20 0 GIADMO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000179756677 822544268 /nfs/dbraw/zinc/54/42/68/822544268.db2.gz PXNRTQNZMFLECE-LJQANCHMSA-N 1 1 396.531 4.320 20 0 GIADMO COc1ccccc1COC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000179758336 822544719 /nfs/dbraw/zinc/54/47/19/822544719.db2.gz FWNQEJYBHAXAMG-UHFFFAOYSA-N 1 1 395.528 4.395 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000183915331 822545577 /nfs/dbraw/zinc/54/55/77/822545577.db2.gz BIVZPOACDNHYOH-FQEVSTJZSA-N 1 1 393.556 4.376 20 0 GIADMO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762678 822546378 /nfs/dbraw/zinc/54/63/78/822546378.db2.gz YVGCFFBXDPYYIF-CQSZACIVSA-N 1 1 395.894 4.120 20 0 GIADMO C[C@H](C[N@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000183925592 822548002 /nfs/dbraw/zinc/54/80/02/822548002.db2.gz NSUUALWCVFOHRP-GOSISDBHSA-N 1 1 379.529 4.412 20 0 GIADMO C[C@H](C[N@@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1)c1nccs1 ZINC000183925592 822548003 /nfs/dbraw/zinc/54/80/03/822548003.db2.gz NSUUALWCVFOHRP-GOSISDBHSA-N 1 1 379.529 4.412 20 0 GIADMO Cc1csc(SCc2ccccc2C(=O)NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000047143181 822548351 /nfs/dbraw/zinc/54/83/51/822548351.db2.gz SUENERIQWHYQQB-INIZCTEOSA-N 1 1 389.590 4.348 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)cc2)cs1 ZINC000047146066 822548372 /nfs/dbraw/zinc/54/83/72/822548372.db2.gz FHDLXFQJZYYRKJ-HNNXBMFYSA-N 1 1 389.590 4.206 20 0 GIADMO Cc1cnc(C(C)(C)[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)s1 ZINC000183928830 822548675 /nfs/dbraw/zinc/54/86/75/822548675.db2.gz GFMMCOMZQWWIAL-OAHLLOKOSA-N 1 1 395.475 4.073 20 0 GIADMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1OCC ZINC000179779045 822551235 /nfs/dbraw/zinc/55/12/35/822551235.db2.gz LKEKQMROYKEHGY-LJQANCHMSA-N 1 1 394.519 4.296 20 0 GIADMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1OCC ZINC000179779034 822551296 /nfs/dbraw/zinc/55/12/96/822551296.db2.gz LKEKQMROYKEHGY-IBGZPJMESA-N 1 1 394.519 4.296 20 0 GIADMO CCCCOc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1OC ZINC000179780056 822551516 /nfs/dbraw/zinc/55/15/16/822551516.db2.gz MBLDZDGYPCQCBL-IBGZPJMESA-N 1 1 394.519 4.296 20 0 GIADMO c1ccc(COc2cccc(C[N@H+]3CCC[C@@H](c4nnc5ccccn54)C3)c2)nc1 ZINC000179781892 822551980 /nfs/dbraw/zinc/55/19/80/822551980.db2.gz PGVZNUCGVIAXOG-HXUWFJFHSA-N 1 1 399.498 4.083 20 0 GIADMO C[C@H](C[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1nccs1 ZINC000183946898 822552096 /nfs/dbraw/zinc/55/20/96/822552096.db2.gz XAYIVVWIGJYNTI-LLVKDONJSA-N 1 1 382.411 4.447 20 0 GIADMO C[C@H](C[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1nccs1 ZINC000183946898 822552099 /nfs/dbraw/zinc/55/20/99/822552099.db2.gz XAYIVVWIGJYNTI-LLVKDONJSA-N 1 1 382.411 4.447 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000047187698 822552603 /nfs/dbraw/zinc/55/26/03/822552603.db2.gz JICNFXBIDJCWMT-KRWDZBQOSA-N 1 1 399.560 4.385 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCNC(=O)c2ccccc2)cc1 ZINC000047190817 822552734 /nfs/dbraw/zinc/55/27/34/822552734.db2.gz WERXNTBIYZENEA-LJQANCHMSA-N 1 1 393.531 4.210 20 0 GIADMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1 ZINC000454913020 822555748 /nfs/dbraw/zinc/55/57/48/822555748.db2.gz ARABCHTTZTWPMC-GJZGRUSLSA-N 1 1 395.828 4.019 20 0 GIADMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1 ZINC000454913020 822555752 /nfs/dbraw/zinc/55/57/52/822555752.db2.gz ARABCHTTZTWPMC-GJZGRUSLSA-N 1 1 395.828 4.019 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)C[C@@H](C)c3nccs3)c2)cs1 ZINC000183975040 822556515 /nfs/dbraw/zinc/55/65/15/822556515.db2.gz URFDPMVHACYJEZ-CYBMUJFWSA-N 1 1 386.546 4.249 20 0 GIADMO Cc1nc(-c2cccc(NC(=O)C[N@H+](C)C[C@@H](C)c3nccs3)c2)cs1 ZINC000183975040 822556519 /nfs/dbraw/zinc/55/65/19/822556519.db2.gz URFDPMVHACYJEZ-CYBMUJFWSA-N 1 1 386.546 4.249 20 0 GIADMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000183984523 822558079 /nfs/dbraw/zinc/55/80/79/822558079.db2.gz IXZAENVJGNFZFQ-UHFFFAOYSA-N 1 1 388.475 4.084 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cn1 ZINC000047275525 822561004 /nfs/dbraw/zinc/56/10/04/822561004.db2.gz LDQJGTSOAZUDGY-UHFFFAOYSA-N 1 1 387.468 4.374 20 0 GIADMO C[C@@H](c1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1)C(F)(F)F ZINC000454946864 822561476 /nfs/dbraw/zinc/56/14/76/822561476.db2.gz GWUUQLVRTCOOPV-ZDUSSCGKSA-N 1 1 382.451 4.202 20 0 GIADMO C[C@@H](c1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1)C(F)(F)F ZINC000454946864 822561479 /nfs/dbraw/zinc/56/14/79/822561479.db2.gz GWUUQLVRTCOOPV-ZDUSSCGKSA-N 1 1 382.451 4.202 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2)cs1 ZINC000047287073 822562236 /nfs/dbraw/zinc/56/22/36/822562236.db2.gz KLRNSFGNVYKLLB-RBUKOAKNSA-N 1 1 387.574 4.100 20 0 GIADMO COc1cc(-c2nc(C[N@@H+](C)C[C@@H](C)c3nccs3)cs2)ccc1O ZINC000184009981 822563054 /nfs/dbraw/zinc/56/30/54/822563054.db2.gz UMHLYPYWASGPDT-GFCCVEGCSA-N 1 1 375.519 4.216 20 0 GIADMO Cc1cc(CNC(=O)N[C@@H](C)c2ccc(F)cc2Cl)cc(N2CCCC2)[nH+]1 ZINC000454968467 822564550 /nfs/dbraw/zinc/56/45/50/822564550.db2.gz HPZLRBBFESLKBC-AWEZNQCLSA-N 1 1 390.890 4.343 20 0 GIADMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1nccs1 ZINC000184017708 822564849 /nfs/dbraw/zinc/56/48/49/822564849.db2.gz HUKJJZSAPVLCJB-MSOLQXFVSA-N 1 1 393.556 4.473 20 0 GIADMO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000179853724 822566581 /nfs/dbraw/zinc/56/65/81/822566581.db2.gz NINRCNJINGFRMU-KRWDZBQOSA-N 1 1 388.393 4.243 20 0 GIADMO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000179853724 822566586 /nfs/dbraw/zinc/56/65/86/822566586.db2.gz NINRCNJINGFRMU-KRWDZBQOSA-N 1 1 388.393 4.243 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@]3(C)Cc3ccccc3)CC2)cs1 ZINC000184026258 822566880 /nfs/dbraw/zinc/56/68/80/822566880.db2.gz PTPJKMFNAKBQIZ-HSZRJFAPSA-N 1 1 397.588 4.287 20 0 GIADMO C[C@H](c1ccc(C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(F)(F)F ZINC000455005386 822569011 /nfs/dbraw/zinc/56/90/11/822569011.db2.gz GJKNXUPRQFVWMM-NNFUDEMPSA-N 1 1 398.469 4.066 20 0 GIADMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ncccc1C(F)(F)F ZINC000179896785 822573112 /nfs/dbraw/zinc/57/31/12/822573112.db2.gz UNRMSTVXFJBDEF-MRXNPFEDSA-N 1 1 397.828 4.321 20 0 GIADMO COCOc1ccc(OC)cc1C[NH2+]C(C)(C)c1ccccc1Br ZINC000179910339 822575220 /nfs/dbraw/zinc/57/52/20/822575220.db2.gz VKQFTPDKACRZRB-UHFFFAOYSA-N 1 1 394.309 4.465 20 0 GIADMO O=C(CC[N@@H+](C[C@H]1CCOC1)C1CC1)Nc1ccccc1Oc1ccccc1 ZINC000047405647 822575723 /nfs/dbraw/zinc/57/57/23/822575723.db2.gz VEXGUIWSOXXDJL-GOSISDBHSA-N 1 1 380.488 4.308 20 0 GIADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000184105544 822578956 /nfs/dbraw/zinc/57/89/56/822578956.db2.gz URGIGJRAAJVSLR-CJNGLKHVSA-N 1 1 378.925 4.030 20 0 GIADMO COc1ccc(C[N@@H+](CC(=O)Nc2c(C)cc(C)cc2C)[C@H](CO)C(C)C)cc1 ZINC000179930244 822579050 /nfs/dbraw/zinc/57/90/50/822579050.db2.gz PAYMRMWPOYDPRT-JOCHJYFZSA-N 1 1 398.547 4.078 20 0 GIADMO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000184106923 822579127 /nfs/dbraw/zinc/57/91/27/822579127.db2.gz BXOCXSBXQHLDBV-CRAIPNDOSA-N 1 1 388.895 4.095 20 0 GIADMO O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000455056204 822581784 /nfs/dbraw/zinc/58/17/84/822581784.db2.gz LGADOZQRMHLOJE-MKVSYHDVSA-N 1 1 382.335 4.023 20 0 GIADMO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179950953 822584504 /nfs/dbraw/zinc/58/45/04/822584504.db2.gz HRIZZGDFFADURY-CXAGYDPISA-N 1 1 376.497 4.082 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000047499529 822584580 /nfs/dbraw/zinc/58/45/80/822584580.db2.gz HIBDTCDEBXZKQI-UHFFFAOYSA-N 1 1 377.492 4.034 20 0 GIADMO C[C@@](Cc1cccc(Br)c1)([NH2+]Cc1nccc(N)n1)c1ccccc1 ZINC000179961726 822586246 /nfs/dbraw/zinc/58/62/46/822586246.db2.gz ZGCRZKKVXBVSGD-FQEVSTJZSA-N 1 1 397.320 4.069 20 0 GIADMO CSc1ncc(Cl)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000047522288 822586935 /nfs/dbraw/zinc/58/69/35/822586935.db2.gz YQGVSGXJQNZCRT-CYBMUJFWSA-N 1 1 390.940 4.479 20 0 GIADMO COc1cccc([C@H](CN[C@@H](C)c2nc3ccc(Cl)cc3n2C)[NH+](C)C)c1 ZINC000179968529 822587564 /nfs/dbraw/zinc/58/75/64/822587564.db2.gz IUKQYHKTPSTRDZ-XOBRGWDASA-N 1 1 386.927 4.189 20 0 GIADMO Brc1ccc([C@@H]([NH2+]Cc2nnc3n2CCCCC3)C2CC2)cc1 ZINC000179975542 822588828 /nfs/dbraw/zinc/58/88/28/822588828.db2.gz VYMATRGAGJIEPN-SFHVURJKSA-N 1 1 375.314 4.008 20 0 GIADMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000047557958 822590607 /nfs/dbraw/zinc/59/06/07/822590607.db2.gz VOBUNSLYNMXCSP-GOSISDBHSA-N 1 1 396.516 4.085 20 0 GIADMO CCc1ccccc1NC(=S)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000047567307 822591468 /nfs/dbraw/zinc/59/14/68/822591468.db2.gz XXUDUNCMVDVPEN-HDICACEKSA-N 1 1 397.588 4.345 20 0 GIADMO COc1cccc([C@@H](CNC(=O)c2scnc2C2CCCC2)[NH+]2CCCC2)c1 ZINC000184225419 822599028 /nfs/dbraw/zinc/59/90/28/822599028.db2.gz CLTQKCYDFJBQIX-LJQANCHMSA-N 1 1 399.560 4.376 20 0 GIADMO O=C(NC[C@@H]1CCCCC1(F)F)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455159563 822599286 /nfs/dbraw/zinc/59/92/86/822599286.db2.gz FRAPQFPHNYYBMD-PZJWPPBQSA-N 1 1 391.506 4.120 20 0 GIADMO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180024758 822599343 /nfs/dbraw/zinc/59/93/43/822599343.db2.gz CVUVREOYKWTFGD-HNNXBMFYSA-N 1 1 386.927 4.018 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCC2(F)F)[C@@H]1c1cccs1 ZINC000455170677 822601169 /nfs/dbraw/zinc/60/11/69/822601169.db2.gz OPFXFVHPSYRPOT-HLLBOEOZSA-N 1 1 385.524 4.256 20 0 GIADMO COc1ccc([C@@H]([NH2+]CCNC(=O)c2ccco2)c2ccccc2Cl)cc1 ZINC000180031952 822601247 /nfs/dbraw/zinc/60/12/47/822601247.db2.gz SOWPWHSBQWKJCZ-HXUWFJFHSA-N 1 1 384.863 4.051 20 0 GIADMO c1ccc(CC[C@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)cc1 ZINC000184246245 822602307 /nfs/dbraw/zinc/60/23/07/822602307.db2.gz DIFFUEIUNAOUBD-QFIPXVFZSA-N 1 1 375.472 4.103 20 0 GIADMO c1ccc(CC[C@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)cc1 ZINC000184246245 822602308 /nfs/dbraw/zinc/60/23/08/822602308.db2.gz DIFFUEIUNAOUBD-QFIPXVFZSA-N 1 1 375.472 4.103 20 0 GIADMO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000184271765 822606746 /nfs/dbraw/zinc/60/67/46/822606746.db2.gz JQYDZJUXVOIJRP-SJORKVTESA-N 1 1 379.529 4.396 20 0 GIADMO CN(C)C(=O)Cc1nc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cs1 ZINC000180064326 822607332 /nfs/dbraw/zinc/60/73/32/822607332.db2.gz AIZPHKGTZKWLNT-GOSISDBHSA-N 1 1 397.466 4.034 20 0 GIADMO CC(C)[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000180069927 822609169 /nfs/dbraw/zinc/60/91/69/822609169.db2.gz AKTPZPWFFVNCEA-SFHVURJKSA-N 1 1 375.398 4.168 20 0 GIADMO CC(C)NC(=O)CC[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000180074969 822610322 /nfs/dbraw/zinc/61/03/22/822610322.db2.gz FTMQILXHSZRFEK-IBGZPJMESA-N 1 1 375.310 4.043 20 0 GIADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)C2)C1 ZINC000455219777 822611112 /nfs/dbraw/zinc/61/11/12/822611112.db2.gz ZHZJQCYQTFDJAG-DOTOQJQBSA-N 1 1 389.849 4.071 20 0 GIADMO Clc1ccc([C@H]([NH2+]Cc2cccnc2N2CCOCC2)c2ccccc2)cc1 ZINC000180081413 822611546 /nfs/dbraw/zinc/61/15/46/822611546.db2.gz HQIXLLXRPCEADT-JOCHJYFZSA-N 1 1 393.918 4.451 20 0 GIADMO O=c1ccccn1Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)cc1 ZINC000180093910 822614111 /nfs/dbraw/zinc/61/41/11/822614111.db2.gz VDDSJUXMYBYITC-UHFFFAOYSA-N 1 1 387.508 4.310 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000184325969 822615431 /nfs/dbraw/zinc/61/54/31/822615431.db2.gz PNUXGSMMDVFRCU-HNNXBMFYSA-N 1 1 375.341 4.095 20 0 GIADMO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H](c3cccc4ccccc43)C(F)(F)F)C2)C1 ZINC000455240840 822615641 /nfs/dbraw/zinc/61/56/41/822615641.db2.gz RTGPPPXIMAGPHM-ICSRJNTNSA-N 1 1 391.437 4.180 20 0 GIADMO Cc1nc(-c2cccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c2)cs1 ZINC000180105953 822616298 /nfs/dbraw/zinc/61/62/98/822616298.db2.gz BOOOZKODGUZRKE-TZIWHRDSSA-N 1 1 377.513 4.294 20 0 GIADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3csc(C(C)C)n3)CC2)cc1F ZINC000047893803 822617205 /nfs/dbraw/zinc/61/72/05/822617205.db2.gz FSKLIWBYLCVIEK-UHFFFAOYSA-N 1 1 389.540 4.242 20 0 GIADMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1Oc1ccncc1 ZINC000180122089 822619748 /nfs/dbraw/zinc/61/97/48/822619748.db2.gz GBTQGSDXVJAMMO-JTHBVZDNSA-N 1 1 387.483 4.358 20 0 GIADMO CC(C)[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124143 822620350 /nfs/dbraw/zinc/62/03/50/822620350.db2.gz GAKHOFDLNDYANC-OXJNMPFZSA-N 1 1 384.486 4.493 20 0 GIADMO CC(C)[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124143 822620349 /nfs/dbraw/zinc/62/03/49/822620349.db2.gz GAKHOFDLNDYANC-OXJNMPFZSA-N 1 1 384.486 4.493 20 0 GIADMO CC[C@@H](C)n1ncc(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1C ZINC000455263233 822620823 /nfs/dbraw/zinc/62/08/23/822620823.db2.gz NMEOEYGRIOMLDF-QGZVFWFLSA-N 1 1 383.540 4.339 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c2ccccc2)cc1 ZINC000180138527 822624367 /nfs/dbraw/zinc/62/43/67/822624367.db2.gz XMKPOLIMOCIKSP-RUZDIDTESA-N 1 1 386.543 4.021 20 0 GIADMO Cc1csc(N2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)n1 ZINC000048008698 822624976 /nfs/dbraw/zinc/62/49/76/822624976.db2.gz CJVISPFVZVVLCY-UHFFFAOYSA-N 1 1 392.528 4.026 20 0 GIADMO O=C(C1CC[NH+](Cc2csc(Br)c2)CC1)N1CCCCCC1 ZINC000048009370 822625020 /nfs/dbraw/zinc/62/50/20/822625020.db2.gz DFMBBUFEIHNRJJ-UHFFFAOYSA-N 1 1 385.371 4.125 20 0 GIADMO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180149132 822627083 /nfs/dbraw/zinc/62/70/83/822627083.db2.gz OMSMKXSQYBZATO-OAHLLOKOSA-N 1 1 387.911 4.411 20 0 GIADMO CC(C)n1ncc2cc(NC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)cnc21 ZINC000048062898 822628294 /nfs/dbraw/zinc/62/82/94/822628294.db2.gz UBLVTIPBHWQZDG-UHFFFAOYSA-N 1 1 394.523 4.174 20 0 GIADMO COC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000180171766 822631933 /nfs/dbraw/zinc/63/19/33/822631933.db2.gz QAPAYJCHOKUUGF-CRHVVPOVSA-N 1 1 386.486 4.438 20 0 GIADMO CC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1nc(C)cs1 ZINC000184420367 822631941 /nfs/dbraw/zinc/63/19/41/822631941.db2.gz MDGMEDIHNWGNAV-HNNXBMFYSA-N 1 1 387.505 4.172 20 0 GIADMO CC[C@H]([NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)c1ccc2c(c1)OCCO2 ZINC000180200957 822638252 /nfs/dbraw/zinc/63/82/52/822638252.db2.gz XEDMGFQFFNUEEU-UGKGYDQZSA-N 1 1 381.451 4.161 20 0 GIADMO C[C@H]([NH2+][C@@H](C)c1nc(C(C)(C)C)cs1)C(=O)NCc1ccc(Cl)cc1 ZINC000184457469 822638818 /nfs/dbraw/zinc/63/88/18/822638818.db2.gz GJEWJEZJWCYEDV-STQMWFEESA-N 1 1 379.957 4.450 20 0 GIADMO Cn1nccc1C[NH2+][C@@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000180207767 822639647 /nfs/dbraw/zinc/63/96/47/822639647.db2.gz OVWWVRQYUSPOOJ-IBGZPJMESA-N 1 1 393.384 4.488 20 0 GIADMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2sccc2C1)c1nc(C(C)(C)C)cs1 ZINC000184483747 822643576 /nfs/dbraw/zinc/64/35/76/822643576.db2.gz HGWWHOAYWNHRGE-OLZOCXBDSA-N 1 1 377.579 4.126 20 0 GIADMO Cc1ccc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C2CC2)n1 ZINC000455390006 822645173 /nfs/dbraw/zinc/64/51/73/822645173.db2.gz UXJKJCPHIXIKSK-UHFFFAOYSA-N 1 1 377.532 4.252 20 0 GIADMO COC[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)c1ccccc1 ZINC000180248753 822647903 /nfs/dbraw/zinc/64/79/03/822647903.db2.gz UMRCIHIYVVBBIC-QGZVFWFLSA-N 1 1 392.293 4.088 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000048254843 822648582 /nfs/dbraw/zinc/64/85/82/822648582.db2.gz ZDIKPSKCMMNBRR-SFHVURJKSA-N 1 1 388.556 4.366 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2OC(F)(F)F)[C@@H]1c1cccs1 ZINC000180258430 822649602 /nfs/dbraw/zinc/64/96/02/822649602.db2.gz UWFGTTQJCBENFI-CXAGYDPISA-N 1 1 398.450 4.460 20 0 GIADMO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ncc(Cl)cc3Cl)ccc2NC1=O ZINC000180259368 822649801 /nfs/dbraw/zinc/64/98/01/822649801.db2.gz ZUABDFITAKFJRG-MGPLVRAMSA-N 1 1 380.275 4.349 20 0 GIADMO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)c1 ZINC000184522943 822650369 /nfs/dbraw/zinc/65/03/69/822650369.db2.gz IWUIYTRRYBAHJI-AWEZNQCLSA-N 1 1 394.500 4.058 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccccn1 ZINC000048273497 822650689 /nfs/dbraw/zinc/65/06/89/822650689.db2.gz RMTCEKGNRKQMOJ-JOCHJYFZSA-N 1 1 397.519 4.398 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)Cc1ccccn1 ZINC000048273497 822650694 /nfs/dbraw/zinc/65/06/94/822650694.db2.gz RMTCEKGNRKQMOJ-JOCHJYFZSA-N 1 1 397.519 4.398 20 0 GIADMO CC(C)[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)Cc1ccccn1 ZINC000048272966 822650810 /nfs/dbraw/zinc/65/08/10/822650810.db2.gz XQURPZQLZCGRSD-CQSZACIVSA-N 1 1 380.319 4.476 20 0 GIADMO CC(C)[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)Cc1ccccn1 ZINC000048272966 822650812 /nfs/dbraw/zinc/65/08/12/822650812.db2.gz XQURPZQLZCGRSD-CQSZACIVSA-N 1 1 380.319 4.476 20 0 GIADMO Cc1ccc(F)cc1C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000180265395 822650967 /nfs/dbraw/zinc/65/09/67/822650967.db2.gz VPRCSALFNYLWOC-QFIPXVFZSA-N 1 1 383.488 4.417 20 0 GIADMO O=C(NC[C@@H]1CCCC1(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455426020 822651482 /nfs/dbraw/zinc/65/14/82/822651482.db2.gz ZDDZPUGYDJRFHX-AABGKKOBSA-N 1 1 391.506 4.118 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1coc(-c2cccs2)n1 ZINC000048309857 822652907 /nfs/dbraw/zinc/65/29/07/822652907.db2.gz AXVISBKSZHRGHI-UHFFFAOYSA-N 1 1 398.532 4.243 20 0 GIADMO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1nc(-c2ccccc2)cs1 ZINC000184537230 822653331 /nfs/dbraw/zinc/65/33/31/822653331.db2.gz GSTIHHNYNVFQSA-QAPCUYQASA-N 1 1 379.485 4.486 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OC(F)(F)F ZINC000180283607 822654895 /nfs/dbraw/zinc/65/48/95/822654895.db2.gz RZJXYDIYUOFNSV-QGZVFWFLSA-N 1 1 392.421 4.179 20 0 GIADMO COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455444907 822655440 /nfs/dbraw/zinc/65/54/40/822655440.db2.gz KTNVAOYLFJVEOT-RGPMPMONSA-N 1 1 393.959 4.360 20 0 GIADMO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455450680 822656620 /nfs/dbraw/zinc/65/66/20/822656620.db2.gz XDABHHHPTBJZSB-NXEWRWPSSA-N 1 1 383.561 4.265 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000048397382 822659306 /nfs/dbraw/zinc/65/93/06/822659306.db2.gz QVMDYPZCLRXNFI-KRWDZBQOSA-N 1 1 397.494 4.072 20 0 GIADMO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000455470506 822660915 /nfs/dbraw/zinc/66/09/15/822660915.db2.gz HJKUZWILDARMOB-FVPDABNVSA-N 1 1 383.458 4.122 20 0 GIADMO COc1cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)ccc1OC(F)F ZINC000184580522 822660977 /nfs/dbraw/zinc/66/09/77/822660977.db2.gz NKUSKHBOYSLDKL-LJQANCHMSA-N 1 1 391.393 4.048 20 0 GIADMO CN(C)C(=O)Sc1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000184588262 822662149 /nfs/dbraw/zinc/66/21/49/822662149.db2.gz ZARQRUOLIDSEKZ-HXUWFJFHSA-N 1 1 398.507 4.212 20 0 GIADMO Fc1ccc(C2([NH2+]Cc3ccn(-c4ccc(Cl)cc4)n3)CCOCC2)cc1 ZINC000184653550 822671163 /nfs/dbraw/zinc/67/11/63/822671163.db2.gz GYXHUUISCMAIQX-UHFFFAOYSA-N 1 1 385.870 4.460 20 0 GIADMO CC[N@@H+](CCNC(=O)Nc1cccc(-c2ncco2)c1C)CCC(F)(F)F ZINC000455539522 822672235 /nfs/dbraw/zinc/67/22/35/822672235.db2.gz RQKUUPXPASLYRF-UHFFFAOYSA-N 1 1 384.402 4.046 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(F)cc(F)c1F ZINC000455568111 822675943 /nfs/dbraw/zinc/67/59/43/822675943.db2.gz QBKBHTSUWQTSBG-CXAGYDPISA-N 1 1 377.410 4.136 20 0 GIADMO COCCC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(Br)cc1 ZINC000180402836 822676202 /nfs/dbraw/zinc/67/62/02/822676202.db2.gz HUXPEHLITPEVQM-IBGZPJMESA-N 1 1 383.374 4.379 20 0 GIADMO O=C(Nc1cc(F)cc(F)c1F)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000455572112 822676713 /nfs/dbraw/zinc/67/67/13/822676713.db2.gz ZJOBRLYMFOXXPI-UHFFFAOYSA-N 1 1 391.437 4.276 20 0 GIADMO COc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(OC)c1C ZINC000455583730 822678652 /nfs/dbraw/zinc/67/86/52/822678652.db2.gz ZWBBDSFGVOQJCL-FUHWJXTLSA-N 1 1 389.540 4.131 20 0 GIADMO COc1cc([C@H](C)[NH2+]Cc2cc(-c3cnn(C)c3C)no2)ccc1OCC(C)C ZINC000184719715 822681611 /nfs/dbraw/zinc/68/16/11/822681611.db2.gz SJEIRCNGSFACLS-HNNXBMFYSA-N 1 1 398.507 4.278 20 0 GIADMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Br)CC2)C1 ZINC000180437242 822681692 /nfs/dbraw/zinc/68/16/92/822681692.db2.gz BVXHGBMCKNJVIE-CQSZACIVSA-N 1 1 397.332 4.059 20 0 GIADMO Cc1nc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c(-c2ccccc2)o1 ZINC000184724383 822682225 /nfs/dbraw/zinc/68/22/25/822682225.db2.gz MGWWHULFUDTPEE-MRXNPFEDSA-N 1 1 391.471 4.296 20 0 GIADMO COc1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)ccc1OC(C)C ZINC000048776470 822682213 /nfs/dbraw/zinc/68/22/13/822682213.db2.gz JDJSAJIKETXKIE-UHFFFAOYSA-N 1 1 391.515 4.447 20 0 GIADMO CCCCN(C)C(=O)C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000180441099 822682584 /nfs/dbraw/zinc/68/25/84/822682584.db2.gz WAUHCRFHSVROMF-UHFFFAOYSA-N 1 1 385.321 4.059 20 0 GIADMO CC(=O)Nc1cccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2Cl)c1 ZINC000048786578 822683288 /nfs/dbraw/zinc/68/32/88/822683288.db2.gz SQBRPEIIZNMGPZ-UHFFFAOYSA-N 1 1 382.895 4.141 20 0 GIADMO C[C@@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180446895 822683608 /nfs/dbraw/zinc/68/36/08/822683608.db2.gz YENSVMDDLJAKHT-INIZCTEOSA-N 1 1 376.928 4.026 20 0 GIADMO C[C@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180446913 822683655 /nfs/dbraw/zinc/68/36/55/822683655.db2.gz YENSVMDDLJAKHT-MRXNPFEDSA-N 1 1 376.928 4.026 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000455641016 822689294 /nfs/dbraw/zinc/68/92/94/822689294.db2.gz HFBHPVHBKKFWBO-UXPWSPDFSA-N 1 1 387.474 4.203 20 0 GIADMO C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180488415 822690192 /nfs/dbraw/zinc/69/01/92/822690192.db2.gz XPIRAMIXSPOXRJ-UHFFFAOYSA-N 1 1 376.422 4.362 20 0 GIADMO C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180488415 822690194 /nfs/dbraw/zinc/69/01/94/822690194.db2.gz XPIRAMIXSPOXRJ-UHFFFAOYSA-N 1 1 376.422 4.362 20 0 GIADMO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Cl)c(Br)c1 ZINC000180503203 822692177 /nfs/dbraw/zinc/69/21/77/822692177.db2.gz GCFNNWOJQFSRAW-NRFANRHFSA-N 1 1 386.742 4.472 20 0 GIADMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Cl)c(Br)c1 ZINC000180503203 822692178 /nfs/dbraw/zinc/69/21/78/822692178.db2.gz GCFNNWOJQFSRAW-NRFANRHFSA-N 1 1 386.742 4.472 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1OC(F)F ZINC000180506073 822692827 /nfs/dbraw/zinc/69/28/27/822692827.db2.gz HGUJWRWAXIRHLI-CABCVRRESA-N 1 1 383.460 4.446 20 0 GIADMO COc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1OC(F)F ZINC000180505600 822692841 /nfs/dbraw/zinc/69/28/41/822692841.db2.gz BVKLQJUXMHMFMZ-CABCVRRESA-N 1 1 383.460 4.446 20 0 GIADMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1OC(F)F ZINC000180506094 822692889 /nfs/dbraw/zinc/69/28/89/822692889.db2.gz HGUJWRWAXIRHLI-GJZGRUSLSA-N 1 1 383.460 4.446 20 0 GIADMO Cn1cc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)c(-c2cccnc2)n1 ZINC000180508652 822693518 /nfs/dbraw/zinc/69/35/18/822693518.db2.gz FRGMUWWPFRWNSX-PMACEKPBSA-N 1 1 396.560 4.412 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCC[C@H]3c3c(C)n[nH]c3C)cs2)c1 ZINC000180510858 822694022 /nfs/dbraw/zinc/69/40/22/822694022.db2.gz DQYLQTCZTBQJKT-SFHVURJKSA-N 1 1 396.516 4.274 20 0 GIADMO COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@H]3c3c(C)n[nH]c3C)cs2)c1 ZINC000180510858 822694024 /nfs/dbraw/zinc/69/40/24/822694024.db2.gz DQYLQTCZTBQJKT-SFHVURJKSA-N 1 1 396.516 4.274 20 0 GIADMO O=C(Nc1cc2c(cn1)CCC2)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000455667425 822695688 /nfs/dbraw/zinc/69/56/88/822695688.db2.gz DVPVSGSFFIFWBB-UHFFFAOYSA-N 1 1 390.531 4.090 20 0 GIADMO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1OC ZINC000180543829 822699508 /nfs/dbraw/zinc/69/95/08/822699508.db2.gz LJMYXBYHNIQHRU-JTQLQIEISA-N 1 1 385.689 4.366 20 0 GIADMO COc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2Br)c(F)c1 ZINC000180544016 822699512 /nfs/dbraw/zinc/69/95/12/822699512.db2.gz RJDZDHPQUAGXIS-NSHDSACASA-N 1 1 398.272 4.465 20 0 GIADMO O=C(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000180548024 822700251 /nfs/dbraw/zinc/70/02/51/822700251.db2.gz ZZLQGTWEFUQOEE-IAGOWNOFSA-N 1 1 396.384 4.049 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455684349 822700301 /nfs/dbraw/zinc/70/03/01/822700301.db2.gz ZQXYUIBBGJYOCV-IBGZPJMESA-N 1 1 378.520 4.335 20 0 GIADMO CC(C)c1nnc(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000180550162 822700417 /nfs/dbraw/zinc/70/04/17/822700417.db2.gz JTFHFKNBDKEPLA-GFCCVEGCSA-N 1 1 390.406 4.022 20 0 GIADMO COc1ccc(CN(C)C(=O)C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)cc1 ZINC000180559612 822702451 /nfs/dbraw/zinc/70/24/51/822702451.db2.gz BYVAMIKSYYXPHS-GOSISDBHSA-N 1 1 398.400 4.076 20 0 GIADMO COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180572738 822704659 /nfs/dbraw/zinc/70/46/59/822704659.db2.gz VXGVAGUDDNPBOC-DYVFJYSZSA-N 1 1 398.400 4.295 20 0 GIADMO O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1cccnc1Cl ZINC000180575812 822705153 /nfs/dbraw/zinc/70/51/53/822705153.db2.gz VIADHJAVQUUGJB-ZDUSSCGKSA-N 1 1 375.753 4.096 20 0 GIADMO C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184894435 822708823 /nfs/dbraw/zinc/70/88/23/822708823.db2.gz AGWIYGBTBMTBBW-CQSZACIVSA-N 1 1 395.330 4.382 20 0 GIADMO C[N@H+]1CCCC[C@@H]1CCSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000049775734 822708917 /nfs/dbraw/zinc/70/89/17/822708917.db2.gz BUUGILRYVHJHJH-HXUWFJFHSA-N 1 1 393.560 4.355 20 0 GIADMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1OC(F)F ZINC000180601702 822709191 /nfs/dbraw/zinc/70/91/91/822709191.db2.gz FGVKLCISVNFNGV-CVEARBPZSA-N 1 1 381.419 4.368 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cncc(Cl)c1C ZINC000455709036 822709240 /nfs/dbraw/zinc/70/92/40/822709240.db2.gz HSPSBLTZNCENBQ-SFHVURJKSA-N 1 1 386.927 4.419 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000049789538 822709510 /nfs/dbraw/zinc/70/95/10/822709510.db2.gz NKPVNFMJACOCIG-QFBILLFUSA-N 1 1 395.503 4.447 20 0 GIADMO CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000184910756 822711830 /nfs/dbraw/zinc/71/18/30/822711830.db2.gz MUWAPZIBJPIXTL-YLJYHZDGSA-N 1 1 376.566 4.159 20 0 GIADMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1OCCF ZINC000455718009 822712421 /nfs/dbraw/zinc/71/24/21/822712421.db2.gz AZLTYOUHTBIIAA-HXUWFJFHSA-N 1 1 399.510 4.411 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1nc(CC(F)(F)F)cs1 ZINC000455718942 822712663 /nfs/dbraw/zinc/71/26/63/822712663.db2.gz IHHTZFNZMOSTGS-OAHLLOKOSA-N 1 1 398.454 4.034 20 0 GIADMO Cc1c(Br)cccc1C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000180618663 822713606 /nfs/dbraw/zinc/71/36/06/822713606.db2.gz QGUSTENFFNYOMI-INIZCTEOSA-N 1 1 377.330 4.310 20 0 GIADMO COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000050026779 822714886 /nfs/dbraw/zinc/71/48/86/822714886.db2.gz UPZXDHLWSXLQNV-FYYLOGMGSA-N 1 1 378.516 4.271 20 0 GIADMO O=C(NCc1ccnc(Oc2ccccc2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000050032153 822715258 /nfs/dbraw/zinc/71/52/58/822715258.db2.gz BSCRNKBBHKPGAM-QFIPXVFZSA-N 1 1 387.483 4.155 20 0 GIADMO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050032028 822715284 /nfs/dbraw/zinc/71/52/84/822715284.db2.gz RDQDDCXBIYDPST-HXUWFJFHSA-N 1 1 393.531 4.440 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000050058120 822716452 /nfs/dbraw/zinc/71/64/52/822716452.db2.gz LISYUYRHGJSHCA-OAHLLOKOSA-N 1 1 391.512 4.320 20 0 GIADMO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000184948361 822717165 /nfs/dbraw/zinc/71/71/65/822717165.db2.gz DIXLRRXUNHZBGZ-LBPRGKRZSA-N 1 1 386.970 4.247 20 0 GIADMO Cc1sc([C@@H](C)[NH2+]CC(=O)Nc2ccncc2)nc1-c1ccc(Cl)cc1 ZINC000184951001 822717485 /nfs/dbraw/zinc/71/74/85/822717485.db2.gz RLOAWNMAUKIHRS-GFCCVEGCSA-N 1 1 386.908 4.456 20 0 GIADMO CCCn1ncc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC000455745303 822718550 /nfs/dbraw/zinc/71/85/50/822718550.db2.gz CZBXYEQKOPEJMB-LJQANCHMSA-N 1 1 395.551 4.156 20 0 GIADMO CSc1cccc(C)c1NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000184968947 822719662 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/nfs/dbraw/zinc/79/03/44/822790344.db2.gz UPRKQEMDCHQMMO-VQCLRJIVSA-N 1 1 377.472 4.452 20 0 GIADMO Cc1cccc(C)c1NC(=O)CCCN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185498602 822791061 /nfs/dbraw/zinc/79/10/61/822791061.db2.gz OFTVTVXSZSMBAP-IBGZPJMESA-N 1 1 385.577 4.462 20 0 GIADMO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(CN4CCSCC4)cc3)ccc21 ZINC000456272831 822792398 /nfs/dbraw/zinc/79/23/98/822792398.db2.gz LOEOYBDMDKYNCU-JOCHJYFZSA-N 1 1 395.572 4.037 20 0 GIADMO Cc1[nH+]ccn1CCNC(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000052191213 822792916 /nfs/dbraw/zinc/79/29/16/822792916.db2.gz OJVWZMNSIZKFJW-UHFFFAOYSA-N 1 1 390.306 4.113 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000174473517 822794866 /nfs/dbraw/zinc/79/48/66/822794866.db2.gz PGPDJPWMOYTTHB-GOSISDBHSA-N 1 1 395.572 4.480 20 0 GIADMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC000174492245 822796249 /nfs/dbraw/zinc/79/62/49/822796249.db2.gz YZTKEYXYDNVDFK-GOSISDBHSA-N 1 1 386.923 4.333 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000174496253 822796791 /nfs/dbraw/zinc/79/67/91/822796791.db2.gz AFHWPQZTRIPIHE-AWEZNQCLSA-N 1 1 394.441 4.225 20 0 GIADMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000174500015 822797354 /nfs/dbraw/zinc/79/73/54/822797354.db2.gz MYWKHJIXWMIRBH-ZDUSSCGKSA-N 1 1 375.847 4.280 20 0 GIADMO CC(C)Cc1nnc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000174505320 822798157 /nfs/dbraw/zinc/79/81/57/822798157.db2.gz RCBIQNHRFNDGCA-CJNGLKHVSA-N 1 1 393.582 4.003 20 0 GIADMO CC[C@H](C)n1ncc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1C1CC1 ZINC000456329708 822798920 /nfs/dbraw/zinc/79/89/20/822798920.db2.gz IURSWYCLFZBTCZ-MOPGFXCFSA-N 1 1 394.563 4.326 20 0 GIADMO C[C@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000456331694 822799219 /nfs/dbraw/zinc/79/92/19/822799219.db2.gz KMYMBHYYOGYBRR-BHIYHBOVSA-N 1 1 382.470 4.336 20 0 GIADMO C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CCN1C ZINC000174516947 822799829 /nfs/dbraw/zinc/79/98/29/822799829.db2.gz BJGZHSHSGRNPJF-LAUBAEHRSA-N 1 1 378.495 4.251 20 0 GIADMO C[C@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000174516947 822799832 /nfs/dbraw/zinc/79/98/32/822799832.db2.gz BJGZHSHSGRNPJF-LAUBAEHRSA-N 1 1 378.495 4.251 20 0 GIADMO C[C@H]1C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000174516947 822799835 /nfs/dbraw/zinc/79/98/35/822799835.db2.gz BJGZHSHSGRNPJF-LAUBAEHRSA-N 1 1 378.495 4.251 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000174528825 822801664 /nfs/dbraw/zinc/80/16/64/822801664.db2.gz APCMHRXEZJZMOA-IBGZPJMESA-N 1 1 377.492 4.158 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000174537058 822802588 /nfs/dbraw/zinc/80/25/88/822802588.db2.gz ZSZWCVXIBQJBDG-KRWDZBQOSA-N 1 1 396.318 4.304 20 0 GIADMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC[N@H+]1C ZINC000174568435 822806143 /nfs/dbraw/zinc/80/61/43/822806143.db2.gz CRLCJCBVUNWDMI-WBVHZDCISA-N 1 1 378.948 4.277 20 0 GIADMO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1C ZINC000185652088 822806875 /nfs/dbraw/zinc/80/68/75/822806875.db2.gz MEODQHUTMGKZLD-MNOVXSKESA-N 1 1 387.402 4.162 20 0 GIADMO Cc1ccc([C@H]([NH2+]Cc2cccnc2C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174574777 822806943 /nfs/dbraw/zinc/80/69/43/822806943.db2.gz SAXVBXDODDHARU-HSZRJFAPSA-N 1 1 394.540 4.290 20 0 GIADMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052685437 822807159 /nfs/dbraw/zinc/80/71/59/822807159.db2.gz KOUVFUPVBIPZHB-IBGZPJMESA-N 1 1 399.579 4.252 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000052712178 822808036 /nfs/dbraw/zinc/80/80/36/822808036.db2.gz ZLNWXRWYFGZFGZ-CHWSQXEVSA-N 1 1 396.409 4.400 20 0 GIADMO CCOCCOc1ccc(Cl)cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000174584936 822808276 /nfs/dbraw/zinc/80/82/76/822808276.db2.gz CCLXPSWDLIZFCF-UHFFFAOYSA-N 1 1 379.888 4.104 20 0 GIADMO COC(=O)COc1ccc([C@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000185666207 822808312 /nfs/dbraw/zinc/80/83/12/822808312.db2.gz AXTQPIHDCKGOCV-JKSUJKDBSA-N 1 1 395.459 4.009 20 0 GIADMO COC(=O)COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000185666246 822808373 /nfs/dbraw/zinc/80/83/73/822808373.db2.gz AXTQPIHDCKGOCV-HZPDHXFCSA-N 1 1 395.459 4.009 20 0 GIADMO CCOc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OCC(F)(F)F ZINC000174598845 822810241 /nfs/dbraw/zinc/81/02/41/822810241.db2.gz AWOBSAYPAKEDHQ-ALOPSCKCSA-N 1 1 386.458 4.131 20 0 GIADMO CCOc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCC(F)(F)F ZINC000174598845 822810245 /nfs/dbraw/zinc/81/02/45/822810245.db2.gz AWOBSAYPAKEDHQ-ALOPSCKCSA-N 1 1 386.458 4.131 20 0 GIADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCc1ccccc1 ZINC000052802906 822810980 /nfs/dbraw/zinc/81/09/80/822810980.db2.gz FCDICYGCOHGZDK-HXUWFJFHSA-N 1 1 390.531 4.381 20 0 GIADMO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NCc1cccc(OCC(F)(F)F)c1 ZINC000052804511 822811371 /nfs/dbraw/zinc/81/13/71/822811371.db2.gz BGQSBZAYHJWCNM-KRWDZBQOSA-N 1 1 398.450 4.143 20 0 GIADMO O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NCc1cccc(OCC(F)(F)F)c1 ZINC000052804511 822811373 /nfs/dbraw/zinc/81/13/73/822811373.db2.gz BGQSBZAYHJWCNM-KRWDZBQOSA-N 1 1 398.450 4.143 20 0 GIADMO CCSCc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000456510012 822811508 /nfs/dbraw/zinc/81/15/08/822811508.db2.gz YJDBSZDDQKRNCP-NRFANRHFSA-N 1 1 384.545 4.076 20 0 GIADMO C[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1csc2ccccc12 ZINC000052806102 822811522 /nfs/dbraw/zinc/81/15/22/822811522.db2.gz GYVRGHGTXWGAGX-UHFFFAOYSA-N 1 1 389.524 4.399 20 0 GIADMO C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1csc2ccccc12 ZINC000052806102 822811526 /nfs/dbraw/zinc/81/15/26/822811526.db2.gz GYVRGHGTXWGAGX-UHFFFAOYSA-N 1 1 389.524 4.399 20 0 GIADMO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000052816813 822811611 /nfs/dbraw/zinc/81/16/11/822811611.db2.gz UPNAYSPWQGUATJ-HNNXBMFYSA-N 1 1 391.918 4.438 20 0 GIADMO C[C@@H](NCc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709159 822812602 /nfs/dbraw/zinc/81/26/02/822812602.db2.gz MVRFSJAEXJSTSS-KGLIPLIRSA-N 1 1 381.351 4.384 20 0 GIADMO CCC[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000174617693 822813170 /nfs/dbraw/zinc/81/31/70/822813170.db2.gz RPWYQXZXUQOPMU-SQNIBIBYSA-N 1 1 383.458 4.425 20 0 GIADMO Cc1noc([C@H]2CCC[N@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)n1 ZINC000052861516 822813200 /nfs/dbraw/zinc/81/32/00/822813200.db2.gz DXPZYJZYCHHQAV-SFHVURJKSA-N 1 1 388.556 4.051 20 0 GIADMO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N(C3CCCCC3)C3CCCCC3)C2)n1 ZINC000052861516 822813201 /nfs/dbraw/zinc/81/32/01/822813201.db2.gz DXPZYJZYCHHQAV-SFHVURJKSA-N 1 1 388.556 4.051 20 0 GIADMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000052877308 822813866 /nfs/dbraw/zinc/81/38/66/822813866.db2.gz SVIFRILWUHCIQC-ZWKOTPCHSA-N 1 1 397.485 4.131 20 0 GIADMO COc1ccccc1[C@@H](C[NH2+]Cc1csc(-c2ccccn2)n1)OC(C)C ZINC000185724309 822814532 /nfs/dbraw/zinc/81/45/32/822814532.db2.gz QEAVFMCNZJQHTO-HXUWFJFHSA-N 1 1 383.517 4.470 20 0 GIADMO Cc1ccc(-n2ncc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2C2CC2)cc1Cl ZINC000174638073 822815928 /nfs/dbraw/zinc/81/59/28/822815928.db2.gz KSEIDECNFGWORH-AEFFLSMTSA-N 1 1 398.938 4.020 20 0 GIADMO C[C@H](NCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742828 822816783 /nfs/dbraw/zinc/81/67/83/822816783.db2.gz VRZBJGIKFGBQLP-CMKODMSKSA-N 1 1 397.563 4.195 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000174653569 822818263 /nfs/dbraw/zinc/81/82/63/822818263.db2.gz MTBMNUSQICACMK-MRXNPFEDSA-N 1 1 397.485 4.110 20 0 GIADMO COc1ccc(S[C@H](C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000053016754 822818726 /nfs/dbraw/zinc/81/87/26/822818726.db2.gz REUIVIDLCMCFPX-QGZVFWFLSA-N 1 1 386.561 4.332 20 0 GIADMO O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456599385 822819018 /nfs/dbraw/zinc/81/90/18/822819018.db2.gz XZEITVAUQLVXBZ-KRWDZBQOSA-N 1 1 384.386 4.165 20 0 GIADMO Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053056192 822820151 /nfs/dbraw/zinc/82/01/51/822820151.db2.gz MNVYMHIDPNMKCB-IYBDPMFKSA-N 1 1 387.499 4.277 20 0 GIADMO CC[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@@H](C)c1ccc(F)cc1 ZINC000053088710 822821092 /nfs/dbraw/zinc/82/10/92/822821092.db2.gz CSXZZRVDXBSQQP-INIZCTEOSA-N 1 1 379.479 4.275 20 0 GIADMO CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)[C@@H](C)c1ccc(F)cc1 ZINC000053088986 822821118 /nfs/dbraw/zinc/82/11/18/822821118.db2.gz HVJBAYJTNOJDEH-IBGZPJMESA-N 1 1 398.522 4.073 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000053091939 822821457 /nfs/dbraw/zinc/82/14/57/822821457.db2.gz XWPFOUSGDDTONL-INIZCTEOSA-N 1 1 381.476 4.046 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)c2c(C)onc2-c2ccc(F)cc2)CC1 ZINC000053119955 822822586 /nfs/dbraw/zinc/82/25/86/822822586.db2.gz RZMFJPXTRDCEMI-UHFFFAOYSA-N 1 1 387.499 4.373 20 0 GIADMO O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000174684129 822822957 /nfs/dbraw/zinc/82/29/57/822822957.db2.gz OUZUDLSKLGPVBX-REWPJTCUSA-N 1 1 378.541 4.078 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1sc2cccc(F)c2c1C ZINC000053180141 822824959 /nfs/dbraw/zinc/82/49/59/822824959.db2.gz OFGOJQPZYYPUTN-UHFFFAOYSA-N 1 1 380.448 4.168 20 0 GIADMO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)s1 ZINC000053211908 822826274 /nfs/dbraw/zinc/82/62/74/822826274.db2.gz XLOHWRQSDLHQDL-QGZVFWFLSA-N 1 1 388.512 4.474 20 0 GIADMO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CCC[C@@H]2C2CCCCC2)s1 ZINC000053211908 822826276 /nfs/dbraw/zinc/82/62/76/822826276.db2.gz XLOHWRQSDLHQDL-QGZVFWFLSA-N 1 1 388.512 4.474 20 0 GIADMO CCn1cc([C@@H](C)NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)cn1 ZINC000456736991 822828053 /nfs/dbraw/zinc/82/80/53/822828053.db2.gz YFKVUHXTYJFIBZ-GOSISDBHSA-N 1 1 376.504 4.026 20 0 GIADMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2C)cc1OC(F)F ZINC000174725263 822828752 /nfs/dbraw/zinc/82/87/52/822828752.db2.gz IBRRXGRGVSSESN-UHFFFAOYSA-N 1 1 378.419 4.066 20 0 GIADMO Clc1ccc([C@@H]2C[N@H+](CCCc3nc(-c4ccccc4)no3)CCO2)cc1 ZINC000053370096 822832256 /nfs/dbraw/zinc/83/22/56/822832256.db2.gz KUPJEQQJUQRWKU-IBGZPJMESA-N 1 1 383.879 4.396 20 0 GIADMO Clc1ccc([C@@H]2C[N@@H+](CCCc3nc(-c4ccccc4)no3)CCO2)cc1 ZINC000053370096 822832260 /nfs/dbraw/zinc/83/22/60/822832260.db2.gz KUPJEQQJUQRWKU-IBGZPJMESA-N 1 1 383.879 4.396 20 0 GIADMO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(Br)c1 ZINC000174755377 822832914 /nfs/dbraw/zinc/83/29/14/822832914.db2.gz DUVQDRGPXJUHPZ-CABCVRRESA-N 1 1 380.330 4.237 20 0 GIADMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000053403833 822833352 /nfs/dbraw/zinc/83/33/52/822833352.db2.gz GWPYMZUCXZEFPC-OAHLLOKOSA-N 1 1 378.607 4.406 20 0 GIADMO CC(C)(c1ccccc1)C1(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000456810675 822833700 /nfs/dbraw/zinc/83/37/00/822833700.db2.gz MLCIWODHFVDVBL-UHFFFAOYSA-N 1 1 396.441 4.445 20 0 GIADMO Cc1nc(C[NH+]2CCC(C(=O)NC3(C(C)(C)c4ccccc4)CC3)CC2)cs1 ZINC000456821588 822835107 /nfs/dbraw/zinc/83/51/07/822835107.db2.gz YEVQWXVWOGJPES-UHFFFAOYSA-N 1 1 397.588 4.290 20 0 GIADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)C1 ZINC000174779794 822835934 /nfs/dbraw/zinc/83/59/34/822835934.db2.gz NPZQCINJWDENQC-DLBZAZTESA-N 1 1 387.524 4.184 20 0 GIADMO COc1ccc2oc([C@@H](C)NC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)c(C)c2c1 ZINC000174779986 822836007 /nfs/dbraw/zinc/83/60/07/822836007.db2.gz DTUUBAPFXKQPMB-IAGOWNOFSA-N 1 1 387.524 4.327 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2Sc2ccccc2)CC[N@H+]1C ZINC000174793735 822837721 /nfs/dbraw/zinc/83/77/21/822837721.db2.gz UQYZWIXYANBYNS-PKOBYXMFSA-N 1 1 383.561 4.462 20 0 GIADMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000174794941 822837861 /nfs/dbraw/zinc/83/78/61/822837861.db2.gz BWOOBHWYXPKRGA-CQSZACIVSA-N 1 1 391.409 4.105 20 0 GIADMO CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000053513208 822838170 /nfs/dbraw/zinc/83/81/70/822838170.db2.gz DPDRAQBSACMVFT-INIZCTEOSA-N 1 1 397.494 4.089 20 0 GIADMO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)c1nc(C(F)(F)F)cs1 ZINC000185965384 822838653 /nfs/dbraw/zinc/83/86/53/822838653.db2.gz AQDANKAVPPZRGG-DGCLKSJQSA-N 1 1 399.438 4.124 20 0 GIADMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(Cl)c1Oc1cccnc1 ZINC000053528261 822839304 /nfs/dbraw/zinc/83/93/04/822839304.db2.gz PVYYHEHLPMFPTB-AWEZNQCLSA-N 1 1 390.940 4.298 20 0 GIADMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(COC(C)(C)C)on2)CC[N@H+]1Cc1ccccc1 ZINC000185987859 822841486 /nfs/dbraw/zinc/84/14/86/822841486.db2.gz UCMYZDZFEKZFBT-IEBWSBKVSA-N 1 1 399.535 4.115 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)cs2)cc1 ZINC000053606451 822842488 /nfs/dbraw/zinc/84/24/88/822842488.db2.gz ZEDWXQLROLQONU-HXUWFJFHSA-N 1 1 377.513 4.116 20 0 GIADMO C[N@H+](Cc1csc(-c2ccco2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174829168 822842952 /nfs/dbraw/zinc/84/29/52/822842952.db2.gz RBEDHJZNNIXPMM-UHFFFAOYSA-N 1 1 377.510 4.234 20 0 GIADMO C[N@@H+](Cc1csc(-c2ccco2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174829168 822842955 /nfs/dbraw/zinc/84/29/55/822842955.db2.gz RBEDHJZNNIXPMM-UHFFFAOYSA-N 1 1 377.510 4.234 20 0 GIADMO O=C(CCCCc1nc2ccccc2s1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456992521 822845142 /nfs/dbraw/zinc/84/51/42/822845142.db2.gz MVWPZYORPCMBIS-IBGZPJMESA-N 1 1 379.529 4.182 20 0 GIADMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000174847680 822845807 /nfs/dbraw/zinc/84/58/07/822845807.db2.gz WNAHXOMHZZBBGX-IBGZPJMESA-N 1 1 391.519 4.193 20 0 GIADMO Cc1nc(-c2ccccc2C)sc1C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457006470 822845911 /nfs/dbraw/zinc/84/59/11/822845911.db2.gz ARRJPYDJTOIYAQ-LJQANCHMSA-N 1 1 377.513 4.214 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cccc(C[S@](C)=O)c2)cc1 ZINC000053720655 822845935 /nfs/dbraw/zinc/84/59/35/822845935.db2.gz PWJHROFPIAGQHU-CBZJRKILSA-N 1 1 384.545 4.192 20 0 GIADMO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053718519 822846107 /nfs/dbraw/zinc/84/61/07/822846107.db2.gz JWIJDRUEEJCXMT-UYAOXDASSA-N 1 1 386.430 4.200 20 0 GIADMO CC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1 ZINC000053811357 822849166 /nfs/dbraw/zinc/84/91/66/822849166.db2.gz LSENKOUMXDPYNO-MRXNPFEDSA-N 1 1 397.494 4.089 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)NCC[N@H+]3CCCC3(C)C)cc2)cs1 ZINC000457069286 822849789 /nfs/dbraw/zinc/84/97/89/822849789.db2.gz FFHRCAVMSNTIOF-UHFFFAOYSA-N 1 1 389.590 4.348 20 0 GIADMO OCCC[N@@H+](Cc1ccc(Br)cn1)[C@H]1CCCc2ccccc21 ZINC000174908964 822854261 /nfs/dbraw/zinc/85/42/61/822854261.db2.gz GWELLCVMBFFQTJ-IBGZPJMESA-N 1 1 375.310 4.106 20 0 GIADMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000174914018 822855018 /nfs/dbraw/zinc/85/50/18/822855018.db2.gz LKUYICAUWVIYNZ-UHFFFAOYSA-N 1 1 389.503 4.488 20 0 GIADMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccc(Cl)cc1Cl ZINC000053985079 822855459 /nfs/dbraw/zinc/85/54/59/822855459.db2.gz QRHDEIVTYWNQPR-UHFFFAOYSA-N 1 1 394.302 4.147 20 0 GIADMO COc1cccc(F)c1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000186153464 822856140 /nfs/dbraw/zinc/85/61/40/822856140.db2.gz HMEYQYTUATVMBN-FUHWJXTLSA-N 1 1 385.483 4.351 20 0 GIADMO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000186177287 822858324 /nfs/dbraw/zinc/85/83/24/822858324.db2.gz JVYPZAMUVIDMIU-LLVKDONJSA-N 1 1 383.275 4.300 20 0 GIADMO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000186177935 822858332 /nfs/dbraw/zinc/85/83/32/822858332.db2.gz XCWNKCVQPZLEIR-CYBMUJFWSA-N 1 1 381.303 4.107 20 0 GIADMO C[N@@H+](CCCCNC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl)C1CC1 ZINC000457162452 822858295 /nfs/dbraw/zinc/85/82/95/822858295.db2.gz FUJABSXILGTCPB-UHFFFAOYSA-N 1 1 396.922 4.283 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)Cc2ccc3c(c2)CCO3)c1 ZINC000054011334 822858640 /nfs/dbraw/zinc/85/86/40/822858640.db2.gz MCSXZFNCVISIOK-UHFFFAOYSA-N 1 1 375.472 4.171 20 0 GIADMO CC[C@H](Cc1ccccc1Br)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457176074 822859061 /nfs/dbraw/zinc/85/90/61/822859061.db2.gz YYDWJMQXFYJAOK-OAHLLOKOSA-N 1 1 381.358 4.008 20 0 GIADMO CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OCC ZINC000174943606 822859149 /nfs/dbraw/zinc/85/91/49/822859149.db2.gz KYKLITRUODPRFF-FQEVSTJZSA-N 1 1 396.531 4.078 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc2ccccc2n1 ZINC000174945133 822859308 /nfs/dbraw/zinc/85/93/08/822859308.db2.gz MLEGDEKIPRASGL-QZMUEMGWSA-N 1 1 385.511 4.229 20 0 GIADMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000174950351 822859968 /nfs/dbraw/zinc/85/99/68/822859968.db2.gz ROXCAUDYDORELL-LBPRGKRZSA-N 1 1 392.758 4.249 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccccc1C(F)(F)F ZINC000174950619 822860114 /nfs/dbraw/zinc/86/01/14/822860114.db2.gz MKGRJCHZULLMKN-GOSISDBHSA-N 1 1 390.449 4.228 20 0 GIADMO C[N@@H+](CCCCNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)C1CC1 ZINC000457202224 822860493 /nfs/dbraw/zinc/86/04/93/822860493.db2.gz NFWOKFOGZBQTMC-QZTJIDSGSA-N 1 1 383.561 4.337 20 0 GIADMO C[NH+](C)[C@H](CNC(=O)NCc1nc2ccccc2s1)c1ccccc1Cl ZINC000054045811 822860607 /nfs/dbraw/zinc/86/06/07/822860607.db2.gz LGVWRLGZSVKEOW-MRXNPFEDSA-N 1 1 388.924 4.052 20 0 GIADMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000174955836 822860863 /nfs/dbraw/zinc/86/08/63/822860863.db2.gz ZMKSYSIJFFFMMG-VLCRHTCISA-N 1 1 382.935 4.424 20 0 GIADMO CN(C(=O)c1ncoc1-c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000186206087 822860904 /nfs/dbraw/zinc/86/09/04/822860904.db2.gz UBGLWEXOSYFJBO-HXUWFJFHSA-N 1 1 393.462 4.217 20 0 GIADMO COc1ccccc1C[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174963023 822862000 /nfs/dbraw/zinc/86/20/00/822862000.db2.gz LNWGJCIYSUFNKT-IRLDBZIGSA-N 1 1 394.559 4.244 20 0 GIADMO COc1ccccc1C[C@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174963040 822862039 /nfs/dbraw/zinc/86/20/39/822862039.db2.gz LNWGJCIYSUFNKT-RBBKRZOGSA-N 1 1 394.559 4.244 20 0 GIADMO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-c2ccncc2)cc1 ZINC000186229088 822862887 /nfs/dbraw/zinc/86/28/87/822862887.db2.gz AAIGNVIGYIAVRZ-IERDGZPVSA-N 1 1 378.497 4.318 20 0 GIADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OC(F)F)c1 ZINC000174974994 822863238 /nfs/dbraw/zinc/86/32/38/822863238.db2.gz AJSHAWQQBDAWBZ-QGZVFWFLSA-N 1 1 389.446 4.274 20 0 GIADMO O=c1[nH]c(CC[N@H+]2CCc3sccc3[C@@H]2c2cccs2)nc2ccccc21 ZINC000054172875 822865715 /nfs/dbraw/zinc/86/57/15/822865715.db2.gz BIFMAKYJEMJGGB-HXUWFJFHSA-N 1 1 393.537 4.236 20 0 GIADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000186258685 822866139 /nfs/dbraw/zinc/86/61/39/822866139.db2.gz NBPBBTVTCSBASG-MRXNPFEDSA-N 1 1 375.509 4.245 20 0 GIADMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1)c1ccc(Cl)cc1 ZINC000568973265 822866879 /nfs/dbraw/zinc/86/68/79/822866879.db2.gz NLVLJKAKEXXOQI-HXUWFJFHSA-N 1 1 384.907 4.472 20 0 GIADMO Cc1ccc(NC(=O)C[NH2+]C2(c3nccs3)CCCC2)c(Br)c1 ZINC000175011286 822866901 /nfs/dbraw/zinc/86/69/01/822866901.db2.gz ZQMSEEOZMLHCOV-UHFFFAOYSA-N 1 1 394.338 4.212 20 0 GIADMO CCc1nc(C[NH+]2CCC(CNC(=O)Nc3cccc(F)c3C)CC2)cs1 ZINC000175018568 822868175 /nfs/dbraw/zinc/86/81/75/822868175.db2.gz WZFUDUWGLXZYCO-UHFFFAOYSA-N 1 1 390.528 4.187 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000568994168 822868266 /nfs/dbraw/zinc/86/82/66/822868266.db2.gz BETUGPZSIXNPQB-DGCLKSJQSA-N 1 1 393.278 4.033 20 0 GIADMO C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000568994168 822868270 /nfs/dbraw/zinc/86/82/70/822868270.db2.gz BETUGPZSIXNPQB-DGCLKSJQSA-N 1 1 393.278 4.033 20 0 GIADMO COc1ccccc1NC(=O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000568996261 822868606 /nfs/dbraw/zinc/86/86/06/822868606.db2.gz BSOUWRRXMNDRHX-UHFFFAOYSA-N 1 1 375.472 4.062 20 0 GIADMO Cn1c[nH+]cc1CCCSc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC000569001754 822868830 /nfs/dbraw/zinc/86/88/30/822868830.db2.gz KBKIADQQYFIDQL-UHFFFAOYSA-N 1 1 397.479 4.184 20 0 GIADMO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054224128 822869256 /nfs/dbraw/zinc/86/92/56/822869256.db2.gz UGDHNHFDNQJWMR-YJBOKZPZSA-N 1 1 395.528 4.206 20 0 GIADMO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000457352011 822869482 /nfs/dbraw/zinc/86/94/82/822869482.db2.gz DSESBBILJKXFKN-IBGZPJMESA-N 1 1 397.910 4.040 20 0 GIADMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c(C)s1 ZINC000186280739 822869670 /nfs/dbraw/zinc/86/96/70/822869670.db2.gz INWJDJLWRIRVFJ-OAHLLOKOSA-N 1 1 378.563 4.098 20 0 GIADMO COCc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000054227261 822869805 /nfs/dbraw/zinc/86/98/05/822869805.db2.gz UWRGLMWAEOKAFC-AEFFLSMTSA-N 1 1 378.472 4.145 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000186284023 822870300 /nfs/dbraw/zinc/87/03/00/822870300.db2.gz KXJFIADZZMFCAQ-CQSZACIVSA-N 1 1 396.915 4.212 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000186284023 822870302 /nfs/dbraw/zinc/87/03/02/822870302.db2.gz KXJFIADZZMFCAQ-CQSZACIVSA-N 1 1 396.915 4.212 20 0 GIADMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCSc1ccccc1 ZINC000186302649 822873614 /nfs/dbraw/zinc/87/36/14/822873614.db2.gz WTFAIYHCKVCFMG-QGZVFWFLSA-N 1 1 390.574 4.012 20 0 GIADMO Cc1cc(C)c(NC(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000054318372 822875994 /nfs/dbraw/zinc/87/59/94/822875994.db2.gz GENHHDKGOQOHBG-UHFFFAOYSA-N 1 1 391.987 4.483 20 0 GIADMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccccc2N2CCCC2)C1 ZINC000054382178 822879642 /nfs/dbraw/zinc/87/96/42/822879642.db2.gz HBBNBFDERZAOOZ-ICSRJNTNSA-N 1 1 378.520 4.244 20 0 GIADMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000054395833 822881858 /nfs/dbraw/zinc/88/18/58/822881858.db2.gz QQWHOWRLVPGFJP-QHCPKHFHSA-N 1 1 399.494 4.002 20 0 GIADMO Cc1c(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)oc2c1c(C)ccc2C ZINC000175103712 822882852 /nfs/dbraw/zinc/88/28/52/822882852.db2.gz ZINKFYNBZHYLQV-UHFFFAOYSA-N 1 1 379.460 4.110 20 0 GIADMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000569140253 822883103 /nfs/dbraw/zinc/88/31/03/822883103.db2.gz HINNWXGRYZWMQR-IBGZPJMESA-N 1 1 381.568 4.270 20 0 GIADMO Cc1ccsc1C[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000054426923 822884211 /nfs/dbraw/zinc/88/42/11/822884211.db2.gz JGKXMCJCIKYFDF-UHFFFAOYSA-N 1 1 385.302 4.419 20 0 GIADMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1oc2ccc(CCC(C)=O)cc2c1C ZINC000569158642 822885904 /nfs/dbraw/zinc/88/59/04/822885904.db2.gz OLDKOEMPJIQKEA-IBGZPJMESA-N 1 1 384.520 4.209 20 0 GIADMO Cc1ccc(N2CCC(NC(=O)N[C@@H](C)c3cccc(OC(C)C)c3)CC2)[nH+]c1 ZINC000175122991 822886958 /nfs/dbraw/zinc/88/69/58/822886958.db2.gz RNZLLZYAQXFMCP-SFHVURJKSA-N 1 1 396.535 4.206 20 0 GIADMO COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1OC(F)F ZINC000569172320 822888355 /nfs/dbraw/zinc/88/83/55/822888355.db2.gz SZSHOEZAGNRYKF-QRVBRYPASA-N 1 1 389.442 4.301 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2ccccc2OC2CCCC2)C1 ZINC000457549083 822889171 /nfs/dbraw/zinc/88/91/71/822889171.db2.gz YWKYVWIZTVVIIY-IBGZPJMESA-N 1 1 381.520 4.173 20 0 GIADMO CC(C)[N@H+](CCc1nccs1)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186410606 822890270 /nfs/dbraw/zinc/89/02/70/822890270.db2.gz VHMZSBVJJCLUKH-UHFFFAOYSA-N 1 1 375.929 4.045 20 0 GIADMO CC(C)[N@@H+](CCc1nccs1)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186410606 822890275 /nfs/dbraw/zinc/89/02/75/822890275.db2.gz VHMZSBVJJCLUKH-UHFFFAOYSA-N 1 1 375.929 4.045 20 0 GIADMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc([C@@H]4CCOC4)c3)C2)s1 ZINC000569249533 822896185 /nfs/dbraw/zinc/89/61/85/822896185.db2.gz HZPRXPFDOVXBIX-GHTZIAJQSA-N 1 1 398.572 4.155 20 0 GIADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 ZINC000457613573 822897162 /nfs/dbraw/zinc/89/71/62/822897162.db2.gz MXAKDBHHQAOOFM-QGZVFWFLSA-N 1 1 399.922 4.331 20 0 GIADMO CC(C)n1ncc2cc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)c(Cl)nc21 ZINC000186447445 822897308 /nfs/dbraw/zinc/89/73/08/822897308.db2.gz YCDOMHUMQLASLE-NRFANRHFSA-N 1 1 382.895 4.297 20 0 GIADMO CC(C)n1ncc2cc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)c(Cl)nc21 ZINC000186447445 822897313 /nfs/dbraw/zinc/89/73/13/822897313.db2.gz YCDOMHUMQLASLE-NRFANRHFSA-N 1 1 382.895 4.297 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000054605679 822898574 /nfs/dbraw/zinc/89/85/74/822898574.db2.gz DAQBHJXUKPWNIP-KRWDZBQOSA-N 1 1 383.521 4.224 20 0 GIADMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)Cc1csc2ccccc12 ZINC000054609148 822898812 /nfs/dbraw/zinc/89/88/12/822898812.db2.gz JETCOUFSDSJULI-UHFFFAOYSA-N 1 1 391.500 4.132 20 0 GIADMO COc1ccc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)c(OC)n1 ZINC000569276775 822900135 /nfs/dbraw/zinc/90/01/35/822900135.db2.gz GWJOVZJHDNJVCR-UHFFFAOYSA-N 1 1 375.881 4.166 20 0 GIADMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)cn1 ZINC000054626481 822900289 /nfs/dbraw/zinc/90/02/89/822900289.db2.gz BLHFRVVONYEHQE-KRWDZBQOSA-N 1 1 392.503 4.091 20 0 GIADMO Cc1cccc(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000457644661 822900464 /nfs/dbraw/zinc/90/04/64/822900464.db2.gz HEQXVZXNJOLONE-LJQANCHMSA-N 1 1 380.536 4.106 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000457646299 822900737 /nfs/dbraw/zinc/90/07/37/822900737.db2.gz JWJOPOHPDDCIDE-HNNXBMFYSA-N 1 1 386.565 4.032 20 0 GIADMO CC[C@@H](C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1ccccc1 ZINC000569280458 822900834 /nfs/dbraw/zinc/90/08/34/822900834.db2.gz NKNJLHAJMKEWCR-PXNSSMCTSA-N 1 1 377.488 4.429 20 0 GIADMO COc1ccc(Br)c(C[NH+]2CCC(Nc3nc(C)cs3)CC2)c1 ZINC000569292207 822902635 /nfs/dbraw/zinc/90/26/35/822902635.db2.gz FEWXBZZMPGTPCP-UHFFFAOYSA-N 1 1 396.354 4.299 20 0 GIADMO Cc1cccc(CN(C)C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000457663916 822903051 /nfs/dbraw/zinc/90/30/51/822903051.db2.gz ICYFIZZAJWHDCZ-KDURUIRLSA-N 1 1 394.563 4.210 20 0 GIADMO C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cncc(F)c1 ZINC000457667124 822903593 /nfs/dbraw/zinc/90/35/93/822903593.db2.gz WAWSZQDGRNMQJP-IRXDYDNUSA-N 1 1 384.499 4.013 20 0 GIADMO COC[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000457669548 822904218 /nfs/dbraw/zinc/90/42/18/822904218.db2.gz XKMNYKYLMSHAHH-VQTJNVASSA-N 1 1 387.568 4.019 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(Br)co2)CC1 ZINC000457673921 822904771 /nfs/dbraw/zinc/90/47/71/822904771.db2.gz ZSOFDNNGOUEDKJ-AWEZNQCLSA-N 1 1 383.330 4.159 20 0 GIADMO Cc1cc(NC(=O)[C@H](C)CC(F)(F)F)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000457675023 822904901 /nfs/dbraw/zinc/90/49/01/822904901.db2.gz MPIJWTHFVGZGGT-PBHICJAKSA-N 1 1 394.441 4.166 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)Nc1cccc(-c2nccs2)c1 ZINC000054684017 822906018 /nfs/dbraw/zinc/90/60/18/822906018.db2.gz ONDKBSTUILPWLD-UHFFFAOYSA-N 1 1 384.530 4.051 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)Nc1cccc(-c2nccs2)c1 ZINC000054684017 822906022 /nfs/dbraw/zinc/90/60/22/822906022.db2.gz ONDKBSTUILPWLD-UHFFFAOYSA-N 1 1 384.530 4.051 20 0 GIADMO CC(C)c1nccn1Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000175216353 822906561 /nfs/dbraw/zinc/90/65/61/822906561.db2.gz MWLMKLKUKZSWAS-FXAWDEMLSA-N 1 1 383.540 4.001 20 0 GIADMO Cc1cccc(Oc2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nc2)c1 ZINC000457689706 822907275 /nfs/dbraw/zinc/90/72/75/822907275.db2.gz WJUHMUZOUBCMJF-MBSDFSHPSA-N 1 1 391.515 4.271 20 0 GIADMO Cc1c(Cl)cncc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000457723752 822910855 /nfs/dbraw/zinc/91/08/55/822910855.db2.gz CTILIGJDWDGBMT-UHFFFAOYSA-N 1 1 382.689 4.120 20 0 GIADMO COc1ccc([C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c2ccco2)cc1 ZINC000457734757 822912529 /nfs/dbraw/zinc/91/25/29/822912529.db2.gz KRYGYMBURCFXPL-GCJKJVERSA-N 1 1 399.535 4.189 20 0 GIADMO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808217 822914591 /nfs/dbraw/zinc/91/45/91/822914591.db2.gz AWFKPSAIRYDZFX-UHFFFAOYSA-N 1 1 388.515 4.130 20 0 GIADMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808217 822914592 /nfs/dbraw/zinc/91/45/92/822914592.db2.gz AWFKPSAIRYDZFX-UHFFFAOYSA-N 1 1 388.515 4.130 20 0 GIADMO C[N@H+](Cc1ccc(Br)o1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808914 822914749 /nfs/dbraw/zinc/91/47/49/822914749.db2.gz LNIDJRKYWJCRBL-UHFFFAOYSA-N 1 1 391.309 4.300 20 0 GIADMO C[N@@H+](Cc1ccc(Br)o1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000054808914 822914751 /nfs/dbraw/zinc/91/47/51/822914751.db2.gz LNIDJRKYWJCRBL-UHFFFAOYSA-N 1 1 391.309 4.300 20 0 GIADMO O=C(c1cccc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1)N1CCCCC1 ZINC000054809130 822915075 /nfs/dbraw/zinc/91/50/75/822915075.db2.gz SSBSSGIMLJCKLB-UHFFFAOYSA-N 1 1 397.607 4.401 20 0 GIADMO Cc1nc(-c2ccc([C@H](C)NC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2)cs1 ZINC000457772728 822917423 /nfs/dbraw/zinc/91/74/23/822917423.db2.gz JXUKNZKAHFXQKG-AOMKIAJQSA-N 1 1 398.576 4.307 20 0 GIADMO O=C(N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000457785950 822919366 /nfs/dbraw/zinc/91/93/66/822919366.db2.gz MBFFKXFBJKGSRG-OJAHFUOMSA-N 1 1 375.944 4.292 20 0 GIADMO OC1(Cc2cccc(F)c2)CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000186592863 822919605 /nfs/dbraw/zinc/91/96/05/822919605.db2.gz YDQLDUYIIPGPQW-UHFFFAOYSA-N 1 1 384.314 4.219 20 0 GIADMO Cc1cc(CNC(=O)N[C@@H](c2ccccc2C)C(C)C)cc(N2CCCC2)[nH+]1 ZINC000569417552 822920235 /nfs/dbraw/zinc/92/02/35/822920235.db2.gz SAKPKVMVLUKYRZ-JOCHJYFZSA-N 1 1 380.536 4.495 20 0 GIADMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186598998 822921233 /nfs/dbraw/zinc/92/12/33/822921233.db2.gz MHILFZPGEOVCCN-RTBURBONSA-N 1 1 385.527 4.295 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186600627 822921465 /nfs/dbraw/zinc/92/14/65/822921465.db2.gz RUDGLWVQNCKPLP-MZNJEOGPSA-N 1 1 378.516 4.270 20 0 GIADMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186600627 822921467 /nfs/dbraw/zinc/92/14/67/822921467.db2.gz RUDGLWVQNCKPLP-MZNJEOGPSA-N 1 1 378.516 4.270 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NCc2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1 ZINC000175283509 822923878 /nfs/dbraw/zinc/92/38/78/822923878.db2.gz MFIMUZAWKUUWQP-AEFFLSMTSA-N 1 1 394.544 4.149 20 0 GIADMO CN(Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175285086 822924333 /nfs/dbraw/zinc/92/43/33/822924333.db2.gz VZBBWGGFCSXKIH-LJQANCHMSA-N 1 1 379.479 4.435 20 0 GIADMO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186624757 822925505 /nfs/dbraw/zinc/92/55/05/822925505.db2.gz RCMLNDAPQGWFOT-DEOSSOPVSA-N 1 1 396.506 4.084 20 0 GIADMO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186624757 822925508 /nfs/dbraw/zinc/92/55/08/822925508.db2.gz RCMLNDAPQGWFOT-DEOSSOPVSA-N 1 1 396.506 4.084 20 0 GIADMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(N2CCCC2=O)c1 ZINC000186628254 822925831 /nfs/dbraw/zinc/92/58/31/822925831.db2.gz HNMDQKRSVNXJOJ-QMHKHESXSA-N 1 1 392.478 4.126 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NCCc2c[nH]c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000175291385 822926333 /nfs/dbraw/zinc/92/63/33/822926333.db2.gz HMPGNCSKESVADX-NQIIRXRSSA-N 1 1 390.531 4.063 20 0 GIADMO O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569471239 822927164 /nfs/dbraw/zinc/92/71/64/822927164.db2.gz FHVKCSPMBPMJQZ-IEBWSBKVSA-N 1 1 394.412 4.458 20 0 GIADMO COc1ccc2nc(C[N@H+]3CCC[C@@H](c4nnc5n4CCCCC5)C3)sc2c1 ZINC000186635660 822927253 /nfs/dbraw/zinc/92/72/53/822927253.db2.gz BKVJQBHPECRJFC-OAHLLOKOSA-N 1 1 397.548 4.002 20 0 GIADMO C/C=C\c1ccc(OC[C@H](O)C[NH2+]Cc2nc(C(C)(C)C)cs2)c(OC)c1 ZINC000569474414 822927310 /nfs/dbraw/zinc/92/73/10/822927310.db2.gz DMGDQAFRFCAGOO-MWWKQMNYSA-N 1 1 390.549 4.012 20 0 GIADMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@H](C(F)(F)F)C1 ZINC000569484190 822928208 /nfs/dbraw/zinc/92/82/08/822928208.db2.gz CVBWBOGJEASCDZ-GHMZBOCLSA-N 1 1 398.347 4.274 20 0 GIADMO COc1ccccc1-c1nc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000186646639 822929178 /nfs/dbraw/zinc/92/91/78/822929178.db2.gz RWFUSMMKZJCMET-QFIPXVFZSA-N 1 1 378.497 4.450 20 0 GIADMO COc1ccccc1-c1nc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000186646639 822929180 /nfs/dbraw/zinc/92/91/80/822929180.db2.gz RWFUSMMKZJCMET-QFIPXVFZSA-N 1 1 378.497 4.450 20 0 GIADMO C[C@H](CNC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000569511500 822932338 /nfs/dbraw/zinc/93/23/38/822932338.db2.gz HYMRUIWWIJIOGE-HUUCEWRRSA-N 1 1 383.458 4.114 20 0 GIADMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)cc1 ZINC000175318197 822933427 /nfs/dbraw/zinc/93/34/27/822933427.db2.gz GCMSZMYHIZYIFS-UHFFFAOYSA-N 1 1 395.528 4.240 20 0 GIADMO Fc1ccc(-n2nc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)c3c2CCC3)cc1 ZINC000186676134 822934821 /nfs/dbraw/zinc/93/48/21/822934821.db2.gz ANLSPOCADANEMZ-DEOSSOPVSA-N 1 1 389.474 4.132 20 0 GIADMO CC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000569533865 822935978 /nfs/dbraw/zinc/93/59/78/822935978.db2.gz QNXREFYFNKDJTM-FATZIPQQSA-N 1 1 378.365 4.381 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@]4(C3)OCc3ccccc34)n2)ccc1F ZINC000186695692 822939311 /nfs/dbraw/zinc/93/93/11/822939311.db2.gz CKJHOLHNOCYMSP-OYHNWAKOSA-N 1 1 379.435 4.377 20 0 GIADMO Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@]4(C3)OCc3ccccc34)n2)ccc1F ZINC000186695692 822939315 /nfs/dbraw/zinc/93/93/15/822939315.db2.gz CKJHOLHNOCYMSP-OYHNWAKOSA-N 1 1 379.435 4.377 20 0 GIADMO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)c1cccc2ccccc21 ZINC000569557292 822939429 /nfs/dbraw/zinc/93/94/29/822939429.db2.gz CACFFXLEQZUPCZ-AIZKBTNYSA-N 1 1 380.532 4.033 20 0 GIADMO CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000186700446 822940292 /nfs/dbraw/zinc/94/02/92/822940292.db2.gz JYUBONXPOYZIJI-VGSWGCGISA-N 1 1 384.520 4.200 20 0 GIADMO O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186705632 822941131 /nfs/dbraw/zinc/94/11/31/822941131.db2.gz SOMJMNNLQXKVIJ-UKILVPOCSA-N 1 1 384.479 4.498 20 0 GIADMO O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186705632 822941133 /nfs/dbraw/zinc/94/11/33/822941133.db2.gz SOMJMNNLQXKVIJ-UKILVPOCSA-N 1 1 384.479 4.498 20 0 GIADMO CCc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cnn1-c1ccccc1C ZINC000186711659 822942497 /nfs/dbraw/zinc/94/24/97/822942497.db2.gz CRTZOPVQJCSWHE-OALUTQOASA-N 1 1 394.563 4.126 20 0 GIADMO CCc1nnc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)o1 ZINC000175361849 822946472 /nfs/dbraw/zinc/94/64/72/822946472.db2.gz IIEYNIKQYLWBJT-LJQANCHMSA-N 1 1 390.487 4.150 20 0 GIADMO COc1ccc([C@H](NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c2ccc(F)cc2)cc1 ZINC000457975328 822946692 /nfs/dbraw/zinc/94/66/92/822946692.db2.gz UBLFYSMNBHQKDT-RBBKRZOGSA-N 1 1 399.510 4.048 20 0 GIADMO CCCCC1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000457981462 822947244 /nfs/dbraw/zinc/94/72/44/822947244.db2.gz OUKUTHGHHFECSH-BWQRXAFVSA-N 1 1 379.589 4.019 20 0 GIADMO CC1(C)C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)[C@H]1[C@@H]1CCCO1 ZINC000569633897 822947817 /nfs/dbraw/zinc/94/78/17/822947817.db2.gz INDSVCVYPLSRLL-GMAHTHKFSA-N 1 1 388.515 4.324 20 0 GIADMO CN(CC[N@@H+](C)C1CC1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000186759405 822950764 /nfs/dbraw/zinc/95/07/64/822950764.db2.gz ZIDCYNAUYPRZAR-UHFFFAOYSA-N 1 1 396.318 4.134 20 0 GIADMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000569672223 822953253 /nfs/dbraw/zinc/95/32/53/822953253.db2.gz AIWLSMDIWIJTSD-FZMZJTMJSA-N 1 1 382.348 4.252 20 0 GIADMO Cc1oc2ccccc2c1-c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000569681213 822954916 /nfs/dbraw/zinc/95/49/16/822954916.db2.gz UYJAAFJOPWORGU-UHFFFAOYSA-N 1 1 375.428 4.290 20 0 GIADMO COc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1F ZINC000186790622 822955637 /nfs/dbraw/zinc/95/56/37/822955637.db2.gz FXXXYHUZHJMTMV-UHFFFAOYSA-N 1 1 389.446 4.022 20 0 GIADMO COc1cc(C)c(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1F ZINC000186790622 822955640 /nfs/dbraw/zinc/95/56/40/822955640.db2.gz FXXXYHUZHJMTMV-UHFFFAOYSA-N 1 1 389.446 4.022 20 0 GIADMO 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YPIGQIRWSVAZBG-UHFFFAOYSA-N 1 1 397.563 4.018 20 0 GIADMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@]3(CCSC3)C2)[C@@H]1c1cccs1 ZINC000458443059 823040898 /nfs/dbraw/zinc/04/08/98/823040898.db2.gz WTGREBMEJJFEOJ-POAQFYNOSA-N 1 1 393.622 4.060 20 0 GIADMO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000187311612 823041459 /nfs/dbraw/zinc/04/14/59/823041459.db2.gz UQJUUZZWMDYYDH-HXUWFJFHSA-N 1 1 380.467 4.043 20 0 GIADMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000570464730 823041466 /nfs/dbraw/zinc/04/14/66/823041466.db2.gz XUEWOLSTUCBNRJ-SBUREZEXSA-N 1 1 392.547 4.130 20 0 GIADMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000187311612 823041465 /nfs/dbraw/zinc/04/14/65/823041465.db2.gz UQJUUZZWMDYYDH-HXUWFJFHSA-N 1 1 380.467 4.043 20 0 GIADMO COc1ccc(OC)c(CCC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000175795090 823041914 /nfs/dbraw/zinc/04/19/14/823041914.db2.gz VABGSOUQDONAFY-MRXNPFEDSA-N 1 1 393.487 4.008 20 0 GIADMO Cc1occc1C[N@@H+](C)CCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000570472594 823042684 /nfs/dbraw/zinc/04/26/84/823042684.db2.gz OOCFFBYWLPFHCH-UHFFFAOYSA-N 1 1 376.456 4.280 20 0 GIADMO C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570473552 823042840 /nfs/dbraw/zinc/04/28/40/823042840.db2.gz YCVOFULUMMXKML-PXNSSMCTSA-N 1 1 389.503 4.109 20 0 GIADMO CC(C)[N@@H+](CCc1nccs1)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000187327901 823044148 /nfs/dbraw/zinc/04/41/48/823044148.db2.gz VEWYOAAPXGYRFU-OAHLLOKOSA-N 1 1 387.318 4.031 20 0 GIADMO C[C@H](CNC(=O)C1(c2ccc(Br)cc2)CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000060554679 823541790 /nfs/dbraw/zinc/54/17/90/823541790.db2.gz XPMFFSCJZRRWGX-HZPDHXFCSA-N 1 1 393.369 4.107 20 0 GIADMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123829091 823543782 /nfs/dbraw/zinc/54/37/82/823543782.db2.gz HFZKIRQKCDIPDF-YWZLYKJASA-N 1 1 395.305 4.484 20 0 GIADMO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000190174088 823546326 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385.577 4.410 20 0 GIADMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC3CC2(C(F)(F)F)C3)c1 ZINC000411118940 823549426 /nfs/dbraw/zinc/54/94/26/823549426.db2.gz VUHPMSSSBOTIOF-UHFFFAOYSA-N 1 1 388.433 4.486 20 0 GIADMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cnc2ccc(C)cc2c1 ZINC000411133797 823550846 /nfs/dbraw/zinc/55/08/46/823550846.db2.gz KKXHPKMFBJZGIC-UHFFFAOYSA-N 1 1 377.488 4.403 20 0 GIADMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cnc2ccc(C)cc2c1 ZINC000411133797 823550851 /nfs/dbraw/zinc/55/08/51/823550851.db2.gz KKXHPKMFBJZGIC-UHFFFAOYSA-N 1 1 377.488 4.403 20 0 GIADMO O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460963670 823551682 /nfs/dbraw/zinc/55/16/82/823551682.db2.gz LTOWVSCNTVUPCU-IRXDYDNUSA-N 1 1 395.355 4.333 20 0 GIADMO O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460963670 823551684 /nfs/dbraw/zinc/55/16/84/823551684.db2.gz LTOWVSCNTVUPCU-IRXDYDNUSA-N 1 1 395.355 4.333 20 0 GIADMO CC[C@]1(CO)CCC[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000190219759 823552085 /nfs/dbraw/zinc/55/20/85/823552085.db2.gz RASRDGKMCVQLHA-NRFANRHFSA-N 1 1 375.944 4.186 20 0 GIADMO CCOc1cc(C[N@H+]2CCC[C@](CC)(CO)C2)ccc1OCC(F)(F)F ZINC000190227532 823552838 /nfs/dbraw/zinc/55/28/38/823552838.db2.gz LFEPTPCHVBKAOP-SFHVURJKSA-N 1 1 375.431 4.011 20 0 GIADMO CCOCCOCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000190257315 823557146 /nfs/dbraw/zinc/55/71/46/823557146.db2.gz HCROSMOWJJKMHC-LBPRGKRZSA-N 1 1 388.295 4.089 20 0 GIADMO CCOCCOCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000190257315 823557147 /nfs/dbraw/zinc/55/71/47/823557147.db2.gz HCROSMOWJJKMHC-LBPRGKRZSA-N 1 1 388.295 4.089 20 0 GIADMO O[C@H](C[N@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2)c1cccs1 ZINC000190274374 823558321 /nfs/dbraw/zinc/55/83/21/823558321.db2.gz PBZAAPZSDUQRHN-HXUWFJFHSA-N 1 1 387.545 4.217 20 0 GIADMO CC[N@H+](Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S)C1CCCC1 ZINC000123998037 823558779 /nfs/dbraw/zinc/55/87/79/823558779.db2.gz IMARTVAOAATHBU-UHFFFAOYSA-N 1 1 383.521 4.339 20 0 GIADMO CC[N@@H+](Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S)C1CCCC1 ZINC000123998037 823558781 /nfs/dbraw/zinc/55/87/81/823558781.db2.gz IMARTVAOAATHBU-UHFFFAOYSA-N 1 1 383.521 4.339 20 0 GIADMO C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411244699 823560209 /nfs/dbraw/zinc/56/02/09/823560209.db2.gz ILXAPMQTKOFYIG-SVQXRNPESA-N 1 1 376.504 4.030 20 0 GIADMO C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411244699 823560211 /nfs/dbraw/zinc/56/02/11/823560211.db2.gz ILXAPMQTKOFYIG-SVQXRNPESA-N 1 1 376.504 4.030 20 0 GIADMO C[C@H](C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411244699 823560213 /nfs/dbraw/zinc/56/02/13/823560213.db2.gz ILXAPMQTKOFYIG-SVQXRNPESA-N 1 1 376.504 4.030 20 0 GIADMO C[C@H]1C[C@H](N(C)C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CC[N@H+]1C ZINC000124022463 823560840 /nfs/dbraw/zinc/56/08/40/823560840.db2.gz YDFSLCGFLZNHOV-OXJNMPFZSA-N 1 1 386.923 4.474 20 0 GIADMO CCS(=O)(=O)CCCCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000190315237 823561877 /nfs/dbraw/zinc/56/18/77/823561877.db2.gz HRARSUJDYXIJGR-UHFFFAOYSA-N 1 1 388.371 4.019 20 0 GIADMO CN(Cc1ccc(-c2ncco2)cc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000411296127 823562805 /nfs/dbraw/zinc/56/28/05/823562805.db2.gz KMBXSIVDPNZWQZ-IBGZPJMESA-N 1 1 379.479 4.435 20 0 GIADMO Cc1nc(CSc2ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc2)cs1 ZINC000461034654 823562945 /nfs/dbraw/zinc/56/29/45/823562945.db2.gz VGESENJYIXTHPF-CQSZACIVSA-N 1 1 377.579 4.202 20 0 GIADMO Cc1n[nH]c(C)c1C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000124050870 823563056 /nfs/dbraw/zinc/56/30/56/823563056.db2.gz BLVGIDKJWOEAET-UHFFFAOYSA-N 1 1 393.466 4.368 20 0 GIADMO Cc1n[nH]c(C)c1C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000124050870 823563061 /nfs/dbraw/zinc/56/30/61/823563061.db2.gz BLVGIDKJWOEAET-UHFFFAOYSA-N 1 1 393.466 4.368 20 0 GIADMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000461040677 823564151 /nfs/dbraw/zinc/56/41/51/823564151.db2.gz DCTGCZISNUJAEF-CQSZACIVSA-N 1 1 376.422 4.185 20 0 GIADMO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000060877299 823564259 /nfs/dbraw/zinc/56/42/59/823564259.db2.gz OSPJGNYJZXPMMX-MRXNPFEDSA-N 1 1 390.528 4.008 20 0 GIADMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000060877299 823564264 /nfs/dbraw/zinc/56/42/64/823564264.db2.gz OSPJGNYJZXPMMX-MRXNPFEDSA-N 1 1 390.528 4.008 20 0 GIADMO O=c1[nH]c(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)nc2ccc(Cl)cc12 ZINC000411321978 823564523 /nfs/dbraw/zinc/56/45/23/823564523.db2.gz CZXHNMLVUXWKTH-HXUWFJFHSA-N 1 1 397.906 4.251 20 0 GIADMO O=c1[nH]c(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)nc2ccc(Cl)cc12 ZINC000411321978 823564525 /nfs/dbraw/zinc/56/45/25/823564525.db2.gz CZXHNMLVUXWKTH-HXUWFJFHSA-N 1 1 397.906 4.251 20 0 GIADMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000060892527 823564919 /nfs/dbraw/zinc/56/49/19/823564919.db2.gz ITVUCFORZVPOGR-NRFANRHFSA-N 1 1 391.519 4.117 20 0 GIADMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411337461 823565158 /nfs/dbraw/zinc/56/51/58/823565158.db2.gz VJWNOLOAFJUCAR-IBGZPJMESA-N 1 1 385.895 4.008 20 0 GIADMO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000411337461 823565160 /nfs/dbraw/zinc/56/51/60/823565160.db2.gz VJWNOLOAFJUCAR-IBGZPJMESA-N 1 1 385.895 4.008 20 0 GIADMO O=C(CC[N@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccccc1Br ZINC000411340800 823565380 /nfs/dbraw/zinc/56/53/80/823565380.db2.gz YJWYJRDKJRAWKH-CVEARBPZSA-N 1 1 383.355 4.138 20 0 GIADMO CCOCC[N@@H+]1CCN(C(=O)c2ccccc2Sc2ccccc2)C[C@H]1C ZINC000461051238 823566066 /nfs/dbraw/zinc/56/60/66/823566066.db2.gz KWSQLERVJHZKAY-GOSISDBHSA-N 1 1 384.545 4.021 20 0 GIADMO CCOCC[N@H+]1CCN(C(=O)c2ccccc2Sc2ccccc2)C[C@H]1C ZINC000461051238 823566070 /nfs/dbraw/zinc/56/60/70/823566070.db2.gz KWSQLERVJHZKAY-GOSISDBHSA-N 1 1 384.545 4.021 20 0 GIADMO C[C@H](CC(F)F)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000411368163 823566848 /nfs/dbraw/zinc/56/68/48/823566848.db2.gz NDTDCLIYVFSIIV-CQSZACIVSA-N 1 1 396.478 4.490 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C)cc2c1 ZINC000411374556 823567341 /nfs/dbraw/zinc/56/73/41/823567341.db2.gz MREDMNMZLAAMKO-QFIPXVFZSA-N 1 1 389.499 4.463 20 0 GIADMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C)cc2c1 ZINC000411374556 823567344 /nfs/dbraw/zinc/56/73/44/823567344.db2.gz MREDMNMZLAAMKO-QFIPXVFZSA-N 1 1 389.499 4.463 20 0 GIADMO O=C(NCc1ccc(F)cc1C(F)(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000124102189 823567857 /nfs/dbraw/zinc/56/78/57/823567857.db2.gz HAHAJXRYUKWABO-KBXCAEBGSA-N 1 1 399.432 4.003 20 0 GIADMO COc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000060937319 823567954 /nfs/dbraw/zinc/56/79/54/823567954.db2.gz UKXBISFZYGPWFO-GOSISDBHSA-N 1 1 381.520 4.069 20 0 GIADMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCc1ccc(F)cc1 ZINC000060938575 823568137 /nfs/dbraw/zinc/56/81/37/823568137.db2.gz OGOLMDYDZYHEEK-GOSISDBHSA-N 1 1 383.511 4.242 20 0 GIADMO CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000461064064 823568529 /nfs/dbraw/zinc/56/85/29/823568529.db2.gz HHUMXOFHAXIYOR-UHFFFAOYSA-N 1 1 391.943 4.025 20 0 GIADMO CC[C@@](C)([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)c1nc(C)cs1 ZINC000411388832 823568908 /nfs/dbraw/zinc/56/89/08/823568908.db2.gz OYNPXZQWCAFPTP-QGZVFWFLSA-N 1 1 392.575 4.490 20 0 GIADMO COc1cccc(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000060955887 823569316 /nfs/dbraw/zinc/56/93/16/823569316.db2.gz GQZBDMPGVZODFZ-GOSISDBHSA-N 1 1 381.520 4.069 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCSC[C@H](C)C1 ZINC000190401815 823569530 /nfs/dbraw/zinc/56/95/30/823569530.db2.gz POANRMKZCRFLMI-MNOVXSKESA-N 1 1 380.863 4.371 20 0 GIADMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000461068377 823569558 /nfs/dbraw/zinc/56/95/58/823569558.db2.gz NWHMRZNNHWEBRD-FQEVSTJZSA-N 1 1 377.463 4.215 20 0 GIADMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-c4ncco4)cc3F)C2)nc1 ZINC000411395137 823569818 /nfs/dbraw/zinc/56/98/18/823569818.db2.gz VDVAAJMFWGYDSJ-GOSISDBHSA-N 1 1 394.450 4.035 20 0 GIADMO Cc1cccc(C)c1NCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461076601 823571413 /nfs/dbraw/zinc/57/14/13/823571413.db2.gz PFZQIYIEQHACQB-UNMCSNQZSA-N 1 1 379.548 4.227 20 0 GIADMO C[C@@H](c1ccncc1)[N@@H+](C)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000411430949 823573371 /nfs/dbraw/zinc/57/33/71/823573371.db2.gz YYLRCAYVASYJOR-KBPBESRZSA-N 1 1 381.549 4.029 20 0 GIADMO Cc1cccc2c1OCC[C@H]2NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000190435776 823573509 /nfs/dbraw/zinc/57/35/09/823573509.db2.gz XMQQFQQSGZRTPB-FXAWDEMLSA-N 1 1 399.560 4.092 20 0 GIADMO O[C@@H]1CC[N@@H+](Cc2cccc(N[C@H]3CCc4c3cccc4Br)c2)C1 ZINC000461085523 823573681 /nfs/dbraw/zinc/57/36/81/823573681.db2.gz KCDMKMRFJZNGLQ-UZLBHIALSA-N 1 1 387.321 4.115 20 0 GIADMO C[C@@]1(CCCO)CCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000411441309 823574384 /nfs/dbraw/zinc/57/43/84/823574384.db2.gz PQNOJXFFUHQGAG-QHCPKHFHSA-N 1 1 382.504 4.435 20 0 GIADMO CC[C@H](C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)C1CCC(C)CC1 ZINC000461089460 823574595 /nfs/dbraw/zinc/57/45/95/823574595.db2.gz QWOLAZLQXGYZAE-HCPAQRILSA-N 1 1 399.579 4.142 20 0 GIADMO CCC(CC)[C@@H]([NH2+]Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)c1cccs1 ZINC000411446695 823575225 /nfs/dbraw/zinc/57/52/25/823575225.db2.gz CCLAQDNVIDNYNH-LJQANCHMSA-N 1 1 399.516 4.451 20 0 GIADMO O=C(CC1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1)N1CCCC1 ZINC000061050304 823575542 /nfs/dbraw/zinc/57/55/42/823575542.db2.gz GYRGNJUJUZUBMU-UHFFFAOYSA-N 1 1 387.911 4.220 20 0 GIADMO O=C1CCCN1C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000411449928 823575838 /nfs/dbraw/zinc/57/58/38/823575838.db2.gz SMPSLHLDLYPSQS-DEOSSOPVSA-N 1 1 391.559 4.126 20 0 GIADMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000124202884 823577089 /nfs/dbraw/zinc/57/70/89/823577089.db2.gz RSKIFHZHPFKQCS-IBGZPJMESA-N 1 1 383.536 4.149 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H]1C1CCOCC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000411494303 823581217 /nfs/dbraw/zinc/58/12/17/823581217.db2.gz JFYBDKLDIMXOBF-NFBKMPQASA-N 1 1 398.572 4.235 20 0 GIADMO COc1ccc(C[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C2CC2)cc1 ZINC000061170997 823582113 /nfs/dbraw/zinc/58/21/13/823582113.db2.gz CCZQNWKEGSBVFA-QFIPXVFZSA-N 1 1 377.484 4.253 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(Cl)cc1Br ZINC000124266663 823582368 /nfs/dbraw/zinc/58/23/68/823582368.db2.gz WYJGRXLTRPCIGL-ZDUSSCGKSA-N 1 1 387.749 4.487 20 0 GIADMO O=C(Cc1cccc(C2CC2)c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000411512764 823582850 /nfs/dbraw/zinc/58/28/50/823582850.db2.gz MZKZYCHJVOXKHT-UHFFFAOYSA-N 1 1 384.470 4.166 20 0 GIADMO COc1ccccc1[C@H](CNC(=O)NCc1csc2ccccc12)[NH+](C)C ZINC000061189505 823583037 /nfs/dbraw/zinc/58/30/37/823583037.db2.gz GNBDGVYKCYYVDF-SFHVURJKSA-N 1 1 383.517 4.012 20 0 GIADMO C[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514757 823583147 /nfs/dbraw/zinc/58/31/47/823583147.db2.gz GRIDNLJFPSAIIK-WBVHZDCISA-N 1 1 388.943 4.175 20 0 GIADMO C[C@@H](NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514757 823583150 /nfs/dbraw/zinc/58/31/50/823583150.db2.gz GRIDNLJFPSAIIK-WBVHZDCISA-N 1 1 388.943 4.175 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000190532799 823583907 /nfs/dbraw/zinc/58/39/07/823583907.db2.gz DMXNIYLUQCSNGS-HNNXBMFYSA-N 1 1 386.458 4.099 20 0 GIADMO CNc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411519370 823583915 /nfs/dbraw/zinc/58/39/15/823583915.db2.gz MBQKPHGLPHOVLE-UHFFFAOYSA-N 1 1 391.437 4.142 20 0 GIADMO Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000124298415 823585165 /nfs/dbraw/zinc/58/51/65/823585165.db2.gz ONLCNQHVCROETK-DLBZAZTESA-N 1 1 380.602 4.398 20 0 GIADMO CSCC[C@H]([NH2+]Cc1cnc2ccc(C)cc2c1)c1nnc2ccccn21 ZINC000411533996 823585581 /nfs/dbraw/zinc/58/55/81/823585581.db2.gz NGKDVJFSZNJZFT-IBGZPJMESA-N 1 1 377.517 4.170 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(c3ccncc3)CC2)cc1 ZINC000190560039 823586419 /nfs/dbraw/zinc/58/64/19/823586419.db2.gz DJNHQTPQFSQWJW-QGZVFWFLSA-N 1 1 389.503 4.226 20 0 GIADMO CSc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000411540596 823586725 /nfs/dbraw/zinc/58/67/25/823586725.db2.gz NLYHCCACVUIABS-RDJZCZTQSA-N 1 1 384.501 4.154 20 0 GIADMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(=O)Nc3cccc(F)c3C)n2)cc1 ZINC000411542643 823586921 /nfs/dbraw/zinc/58/69/21/823586921.db2.gz ZZEFTCZUMIMHFG-OAHLLOKOSA-N 1 1 396.466 4.426 20 0 GIADMO C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000411545655 823587119 /nfs/dbraw/zinc/58/71/19/823587119.db2.gz QQAGEAPSLGXBJF-UHFFFAOYSA-N 1 1 382.533 4.015 20 0 GIADMO C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000411545655 823587124 /nfs/dbraw/zinc/58/71/24/823587124.db2.gz QQAGEAPSLGXBJF-UHFFFAOYSA-N 1 1 382.533 4.015 20 0 GIADMO CCOC(=O)c1ccc(C[NH2+][C@H](CC)c2cc(F)cc(Br)c2)nc1 ZINC000411557541 823587967 /nfs/dbraw/zinc/58/79/67/823587967.db2.gz CWMJGXRIJWEHMU-QGZVFWFLSA-N 1 1 395.272 4.401 20 0 GIADMO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)cc(Br)c1)c1ccccn1 ZINC000411562698 823588353 /nfs/dbraw/zinc/58/83/53/823588353.db2.gz PANATCCXCAPSBK-QGZVFWFLSA-N 1 1 397.700 4.066 20 0 GIADMO CSc1ccccc1NC(=O)CC[N@@H+](C)C1CCN(c2ccccc2)CC1 ZINC000411672763 823596413 /nfs/dbraw/zinc/59/64/13/823596413.db2.gz WAZZXHQPXZDKAW-UHFFFAOYSA-N 1 1 383.561 4.338 20 0 GIADMO COc1cccc([C@H]2[C@H](NCc3cc(-c4ccco4)on3)CC[N@@H+]2C2CC2)c1 ZINC000411688424 823597014 /nfs/dbraw/zinc/59/70/14/823597014.db2.gz CLLHNWDSFGMZFM-KNQAVFIVSA-N 1 1 379.460 4.011 20 0 GIADMO COc1cccc([C@H]2[C@H](NCc3cc(-c4ccco4)on3)CC[N@H+]2C2CC2)c1 ZINC000411688424 823597016 /nfs/dbraw/zinc/59/70/16/823597016.db2.gz CLLHNWDSFGMZFM-KNQAVFIVSA-N 1 1 379.460 4.011 20 0 GIADMO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H](C)C1 ZINC000411722040 823599980 /nfs/dbraw/zinc/59/99/80/823599980.db2.gz PYHVDHHXOUJYSJ-KDURUIRLSA-N 1 1 381.520 4.222 20 0 GIADMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H](C)C1 ZINC000411722040 823599984 /nfs/dbraw/zinc/59/99/84/823599984.db2.gz PYHVDHHXOUJYSJ-KDURUIRLSA-N 1 1 381.520 4.222 20 0 GIADMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)[C@@H](C)C1 ZINC000411722040 823599988 /nfs/dbraw/zinc/59/99/88/823599988.db2.gz PYHVDHHXOUJYSJ-KDURUIRLSA-N 1 1 381.520 4.222 20 0 GIADMO C[NH+](C)[C@@H](C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000461230864 823601784 /nfs/dbraw/zinc/60/17/84/823601784.db2.gz FFWXZNHEBSUVEW-GOSISDBHSA-N 1 1 388.393 4.133 20 0 GIADMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000411748914 823602245 /nfs/dbraw/zinc/60/22/45/823602245.db2.gz UABDKERPTDTVDM-QHCPKHFHSA-N 1 1 380.463 4.298 20 0 GIADMO Cc1c(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cccc1C(=O)Nc1ccccc1 ZINC000411791997 823605099 /nfs/dbraw/zinc/60/50/99/823605099.db2.gz OAJBQBDJCNSJAI-JZXOWHBKSA-N 1 1 379.504 4.447 20 0 GIADMO C[C@H]1Cc2[nH+]cn(CCC(=O)Nc3ccccc3Br)c2C[C@@H]1C ZINC000411803695 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20 0 GIADMO C[C@@H](c1ccccc1Cl)[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191307652 823669706 /nfs/dbraw/zinc/66/97/06/823669706.db2.gz AHYKZCFLQQMVFK-NSHDSACASA-N 1 1 390.862 4.484 20 0 GIADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000461631542 823673060 /nfs/dbraw/zinc/67/30/60/823673060.db2.gz PJWVFASPUNLSQN-QGZVFWFLSA-N 1 1 382.508 4.181 20 0 GIADMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000461652922 823675459 /nfs/dbraw/zinc/67/54/59/823675459.db2.gz ZRWKMRAWGALVEN-HNNXBMFYSA-N 1 1 375.900 4.378 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000063492002 823675650 /nfs/dbraw/zinc/67/56/50/823675650.db2.gz DNDFOHNPCXFSQY-IERDGZPVSA-N 1 1 386.923 4.421 20 0 GIADMO CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000063491893 823675656 /nfs/dbraw/zinc/67/56/56/823675656.db2.gz QEJPZJRISFDIRW-IERDGZPVSA-N 1 1 384.545 4.181 20 0 GIADMO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000063522311 823677630 /nfs/dbraw/zinc/67/76/30/823677630.db2.gz VJBWFQIJSSMLQT-KRWDZBQOSA-N 1 1 383.410 4.483 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nc2ccccc2s1 ZINC000125456240 823677720 /nfs/dbraw/zinc/67/77/20/823677720.db2.gz DXVYUEDTKWIOQF-SFHVURJKSA-N 1 1 379.529 4.281 20 0 GIADMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3n2Cc2ccccc2F)C1 ZINC000063530619 823677769 /nfs/dbraw/zinc/67/77/69/823677769.db2.gz OXEPCEWSBPRRBE-SFHVURJKSA-N 1 1 393.506 4.289 20 0 GIADMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)c12 ZINC000063530602 823677810 /nfs/dbraw/zinc/67/78/10/823677810.db2.gz WKPMELXCMYNDRF-KRWDZBQOSA-N 1 1 399.583 4.078 20 0 GIADMO CCn1c(C2CC2)nn(CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1=S ZINC000125463722 823678181 /nfs/dbraw/zinc/67/81/81/823678181.db2.gz FQZYHOTYWBFRLR-QGZVFWFLSA-N 1 1 391.629 4.245 20 0 GIADMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000125468365 823678661 /nfs/dbraw/zinc/67/86/61/823678661.db2.gz SUOBIVNZFDGGPR-UHFFFAOYSA-N 1 1 399.491 4.071 20 0 GIADMO Cc1noc(C)c1C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000063550033 823678874 /nfs/dbraw/zinc/67/88/74/823678874.db2.gz MGKODWZKBLKQOG-UHFFFAOYSA-N 1 1 389.297 4.146 20 0 GIADMO COc1cc(C[NH2+]Cc2c(C)noc2C)cc(OC)c1OCc1ccccc1 ZINC000063550091 823678965 /nfs/dbraw/zinc/67/89/65/823678965.db2.gz YUGQZWCITWHUGT-UHFFFAOYSA-N 1 1 382.460 4.177 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cn2ncn(C(C)(C)C)c2=S)CC1 ZINC000125478420 823679460 /nfs/dbraw/zinc/67/94/60/823679460.db2.gz FDNFLIPVMZRNOV-KRWDZBQOSA-N 1 1 379.618 4.103 20 0 GIADMO Brc1ccc([C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CCO2)cc1 ZINC000063580437 823680867 /nfs/dbraw/zinc/68/08/67/823680867.db2.gz HNQYGBYGBSRSGH-HXUWFJFHSA-N 1 1 398.304 4.208 20 0 GIADMO Brc1ccc([C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CCO2)cc1 ZINC000063580437 823680869 /nfs/dbraw/zinc/68/08/69/823680869.db2.gz HNQYGBYGBSRSGH-HXUWFJFHSA-N 1 1 398.304 4.208 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@H+](CC(=O)N[C@H](C)c4cccs4)CC3)c2c1 ZINC000125522524 823682512 /nfs/dbraw/zinc/68/25/12/823682512.db2.gz UVQVUVSWYIVDDI-OAHLLOKOSA-N 1 1 395.528 4.205 20 0 GIADMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC(=O)N[C@H](C)c4cccs4)CC3)c2c1 ZINC000125522524 823682514 /nfs/dbraw/zinc/68/25/14/823682514.db2.gz UVQVUVSWYIVDDI-OAHLLOKOSA-N 1 1 395.528 4.205 20 0 GIADMO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125570741 823686264 /nfs/dbraw/zinc/68/62/64/823686264.db2.gz XSXMIVHFDFUCQD-CQSZACIVSA-N 1 1 394.441 4.252 20 0 GIADMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000191482089 823689528 /nfs/dbraw/zinc/68/95/28/823689528.db2.gz SJBMALYETZNPFI-QGZVFWFLSA-N 1 1 394.437 4.224 20 0 GIADMO CSc1ccc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CNC(=O)C3)c(Cl)nc2c1 ZINC000125623161 823690803 /nfs/dbraw/zinc/69/08/03/823690803.db2.gz ZICRRIMKBHQLEK-RDTXWAMCSA-N 1 1 389.952 4.101 20 0 GIADMO Clc1ccc(-c2noc(CC[N@@H+]3CCO[C@H](c4ccsc4)C3)n2)cc1 ZINC000125631007 823691494 /nfs/dbraw/zinc/69/14/94/823691494.db2.gz VKVDUNANZHLXSL-INIZCTEOSA-N 1 1 375.881 4.068 20 0 GIADMO Clc1ccc(-c2noc(CC[N@H+]3CCO[C@H](c4ccsc4)C3)n2)cc1 ZINC000125631007 823691498 /nfs/dbraw/zinc/69/14/98/823691498.db2.gz VKVDUNANZHLXSL-INIZCTEOSA-N 1 1 375.881 4.068 20 0 GIADMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063724988 823691882 /nfs/dbraw/zinc/69/18/82/823691882.db2.gz DKGKJJHQJONPBV-UHFFFAOYSA-N 1 1 375.513 4.204 20 0 GIADMO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc12 ZINC000063726634 823692191 /nfs/dbraw/zinc/69/21/91/823692191.db2.gz ALHHTRLQAKMCKC-UHFFFAOYSA-N 1 1 396.560 4.342 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000191506795 823693044 /nfs/dbraw/zinc/69/30/44/823693044.db2.gz KDCSTQFQWSIBBE-UHFFFAOYSA-N 1 1 377.536 4.032 20 0 GIADMO COc1cc(C[N@H+](Cc2cccc(Br)c2O)C2CC2)ccc1O ZINC000191510539 823693625 /nfs/dbraw/zinc/69/36/25/823693625.db2.gz MRBFUIFWMOIANZ-UHFFFAOYSA-N 1 1 378.266 4.034 20 0 GIADMO COc1cc(C[N@@H+](Cc2cccc(Br)c2O)C2CC2)ccc1O ZINC000191510539 823693626 /nfs/dbraw/zinc/69/36/26/823693626.db2.gz MRBFUIFWMOIANZ-UHFFFAOYSA-N 1 1 378.266 4.034 20 0 GIADMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000191513060 823694052 /nfs/dbraw/zinc/69/40/52/823694052.db2.gz XLBIXDVMCGMNRT-AWEZNQCLSA-N 1 1 386.569 4.122 20 0 GIADMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccccc1NC(=O)c1cccs1 ZINC000063771502 823694739 /nfs/dbraw/zinc/69/47/39/823694739.db2.gz AIAWDIUGCGSNIA-UHFFFAOYSA-N 1 1 399.560 4.337 20 0 GIADMO O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000461785800 823695229 /nfs/dbraw/zinc/69/52/29/823695229.db2.gz LUJMGHZWQPRRJW-NRFANRHFSA-N 1 1 395.890 4.443 20 0 GIADMO CC(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972761 823695738 /nfs/dbraw/zinc/69/57/38/823695738.db2.gz OOXGLVMAEOVUJU-HNNXBMFYSA-N 1 1 381.358 4.212 20 0 GIADMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000461794101 823696288 /nfs/dbraw/zinc/69/62/88/823696288.db2.gz FONWBKUYEZPMHJ-FXAWDEMLSA-N 1 1 385.556 4.023 20 0 GIADMO CCCCn1c(SC[C@H]2CCCC[N@H+]2C(C)C)nnc1[C@@H](CC)N(C)C ZINC000412979824 823696565 /nfs/dbraw/zinc/69/65/65/823696565.db2.gz DCFUZHJYTNHQBM-QZTJIDSGSA-N 1 1 381.634 4.446 20 0 GIADMO C[NH+]1CCN(CCCSc2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC000412987710 823698018 /nfs/dbraw/zinc/69/80/18/823698018.db2.gz WPJMGGVEJYTSDU-UHFFFAOYSA-N 1 1 396.535 4.166 20 0 GIADMO CC(C)[N@H+]1CCCC[C@H]1CSc1nnc(-c2ccccn2)n1Cc1ccco1 ZINC000413003545 823699527 /nfs/dbraw/zinc/69/95/27/823699527.db2.gz UVURBQACFSXOTP-KRWDZBQOSA-N 1 1 397.548 4.336 20 0 GIADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1[nH]c2ccccc2c1Br ZINC000063821963 823699583 /nfs/dbraw/zinc/69/95/83/823699583.db2.gz WTVBXFDCMBDLHC-AWEZNQCLSA-N 1 1 392.341 4.315 20 0 GIADMO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125722494 823700256 /nfs/dbraw/zinc/70/02/56/823700256.db2.gz CXUMJMQJGNSCGX-UHFFFAOYSA-N 1 1 386.923 4.311 20 0 GIADMO Cc1nn(C)cc1C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000163300026 823700469 /nfs/dbraw/zinc/70/04/69/823700469.db2.gz SEFXGZBPQOPWJA-LBPRGKRZSA-N 1 1 391.338 4.465 20 0 GIADMO CCOC(=O)c1csc(C2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)n1 ZINC000191573405 823702663 /nfs/dbraw/zinc/70/26/63/823702663.db2.gz YXFICTMMLTVKCE-CYBMUJFWSA-N 1 1 385.489 4.402 20 0 GIADMO Cc1ccc([C@H]2CCC[N@H+]2Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000063858915 823703138 /nfs/dbraw/zinc/70/31/38/823703138.db2.gz QAPWOVMEWBYPBV-HXUWFJFHSA-N 1 1 377.448 4.265 20 0 GIADMO Fc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1Cl ZINC000574342388 823705083 /nfs/dbraw/zinc/70/50/83/823705083.db2.gz PBNPLUQGFJQFBD-FOIQADDNSA-N 1 1 375.875 4.368 20 0 GIADMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000191596792 823707363 /nfs/dbraw/zinc/70/73/63/823707363.db2.gz CAUSTKPRVNAXQL-UEXGIBASSA-N 1 1 376.504 4.147 20 0 GIADMO CCCn1nc(C)c(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000163442282 823709709 /nfs/dbraw/zinc/70/97/09/823709709.db2.gz QOXGEHVFBOKDIX-QGZVFWFLSA-N 1 1 382.552 4.072 20 0 GIADMO COc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(OC(F)F)c1 ZINC000191640530 823721996 /nfs/dbraw/zinc/72/19/96/823721996.db2.gz PSYFMFRNWGSZAR-HOTGVXAUSA-N 1 1 396.478 4.023 20 0 GIADMO CCc1c(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cnn1-c1ccccc1C ZINC000191649873 823724266 /nfs/dbraw/zinc/72/42/66/823724266.db2.gz GTVNQFWTRDHHOK-GOSISDBHSA-N 1 1 383.540 4.081 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000163587983 823725701 /nfs/dbraw/zinc/72/57/01/823725701.db2.gz IORYRIJDKVEILM-OUOWLKGYSA-N 1 1 390.506 4.205 20 0 GIADMO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000163587983 823725709 /nfs/dbraw/zinc/72/57/09/823725709.db2.gz IORYRIJDKVEILM-OUOWLKGYSA-N 1 1 390.506 4.205 20 0 GIADMO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000191670945 823728759 /nfs/dbraw/zinc/72/87/59/823728759.db2.gz DXRMAWDXYSAEDV-UHFFFAOYSA-N 1 1 395.837 4.155 20 0 GIADMO CCOc1cccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1OC(F)F ZINC000191681223 823731696 /nfs/dbraw/zinc/73/16/96/823731696.db2.gz UGEJISSMRSGBGK-UHFFFAOYSA-N 1 1 396.409 4.264 20 0 GIADMO Cc1c([C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000125877577 823734906 /nfs/dbraw/zinc/73/49/06/823734906.db2.gz AMSRPKWACPNNCD-WBVHZDCISA-N 1 1 375.948 4.000 20 0 GIADMO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000125893242 823738642 /nfs/dbraw/zinc/73/86/42/823738642.db2.gz USRITFRAJQVEDU-RHSMWYFYSA-N 1 1 387.490 4.379 20 0 GIADMO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000125952732 823751640 /nfs/dbraw/zinc/75/16/40/823751640.db2.gz LNCJHDMYEDYFPJ-RDTXWAMCSA-N 1 1 383.964 4.022 20 0 GIADMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)ncc1Cl ZINC000125958681 823753181 /nfs/dbraw/zinc/75/31/81/823753181.db2.gz IHOLTFKXGYOZHE-YOEHRIQHSA-N 1 1 376.287 4.145 20 0 GIADMO Cc1cc(CN2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)no1 ZINC000064138717 823753444 /nfs/dbraw/zinc/75/34/44/823753444.db2.gz MDFCYFXGQSRXEP-UHFFFAOYSA-N 1 1 395.478 4.019 20 0 GIADMO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000191744859 823754560 /nfs/dbraw/zinc/75/45/60/823754560.db2.gz ZBYOQRXCTRZCAV-NVXWUHKLSA-N 1 1 397.947 4.092 20 0 GIADMO Cn1nccc1[C@H]1C[C@H](Nc2cc[nH+]c3cc(Br)ccc23)CCO1 ZINC000574519835 823754651 /nfs/dbraw/zinc/75/46/51/823754651.db2.gz QWBTVXXXXLGZFC-FZKQIMNGSA-N 1 1 387.281 4.063 20 0 GIADMO O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574530855 823756820 /nfs/dbraw/zinc/75/68/20/823756820.db2.gz JFDMQYKHJKOECT-UXHICEINSA-N 1 1 390.449 4.046 20 0 GIADMO COc1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c(C)c1OC ZINC000574539800 823759192 /nfs/dbraw/zinc/75/91/92/823759192.db2.gz KMHRXGAFVMPESA-YCRPNKLZSA-N 1 1 383.467 4.325 20 0 GIADMO C[N@H+](Cc1ccccc1Oc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191779936 823765791 /nfs/dbraw/zinc/76/57/91/823765791.db2.gz RNCZFIPQKXCWOL-QFIPXVFZSA-N 1 1 387.483 4.107 20 0 GIADMO C[N@@H+](Cc1ccccc1Oc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000191779936 823765797 /nfs/dbraw/zinc/76/57/97/823765797.db2.gz RNCZFIPQKXCWOL-QFIPXVFZSA-N 1 1 387.483 4.107 20 0 GIADMO O=C(C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)C1)NCc1ccc(F)cc1 ZINC000574570867 823769320 /nfs/dbraw/zinc/76/93/20/823769320.db2.gz UAQSUQHFXPTAGD-ROUUACIJSA-N 1 1 382.470 4.370 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C2 ZINC000413405151 823769918 /nfs/dbraw/zinc/76/99/18/823769918.db2.gz IZQUZBJOVZBEIC-LEWJYISDSA-N 1 1 397.906 4.013 20 0 GIADMO CC(=O)c1ccc2c(c1)CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C2 ZINC000413405151 823769924 /nfs/dbraw/zinc/76/99/24/823769924.db2.gz IZQUZBJOVZBEIC-LEWJYISDSA-N 1 1 397.906 4.013 20 0 GIADMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000413412787 823771909 /nfs/dbraw/zinc/77/19/09/823771909.db2.gz FRSFMJWJJGLOAI-AKFKNWHVSA-N 1 1 377.532 4.088 20 0 GIADMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000191806046 823775218 /nfs/dbraw/zinc/77/52/18/823775218.db2.gz NWLQJHYJIACZLN-DOTOQJQBSA-N 1 1 391.334 4.470 20 0 GIADMO CN(C(=O)c1ccccc1NCc1ccccc1Cl)[C@H]1CC[N@H+](C2CC2)C1 ZINC000413427047 823775755 /nfs/dbraw/zinc/77/57/55/823775755.db2.gz LOOWPGZOGGRTRM-SFHVURJKSA-N 1 1 383.923 4.261 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)NNc2ccc(Cl)cc2Cl)c1 ZINC000064229657 823775617 /nfs/dbraw/zinc/77/56/17/823775617.db2.gz SFGIKKKJDQQJIM-UHFFFAOYSA-N 1 1 381.307 4.271 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccccc2C(F)(F)F)c1 ZINC000064229642 823775630 /nfs/dbraw/zinc/77/56/30/823775630.db2.gz DXZARNJBPQZNTO-UHFFFAOYSA-N 1 1 393.453 4.499 20 0 GIADMO Cn1c2ccccc2nc1[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000126053564 823775847 /nfs/dbraw/zinc/77/58/47/823775847.db2.gz RXNALMTVUHHIPY-IRLDBZIGSA-N 1 1 393.437 4.264 20 0 GIADMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccccc2OC)C2CC2)c1 ZINC000064229460 823775798 /nfs/dbraw/zinc/77/57/98/823775798.db2.gz ZPTXBQOPWIHEPU-UHFFFAOYSA-N 1 1 381.520 4.021 20 0 GIADMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cn(Cc2ccccc2)c2ccccc12 ZINC000126062269 823778003 /nfs/dbraw/zinc/77/80/03/823778003.db2.gz ISFCVBURRFCTJR-AVRDEDQJSA-N 1 1 375.516 4.102 20 0 GIADMO COc1ccccc1[C@@H](CNC(=O)N(Cc1ccccc1)CC1CCC1)[NH+](C)C ZINC000064240713 823778646 /nfs/dbraw/zinc/77/86/46/823778646.db2.gz DPFMFTRVNUSNRZ-JOCHJYFZSA-N 1 1 395.547 4.310 20 0 GIADMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc(Cl)c1OC ZINC000574606482 823778808 /nfs/dbraw/zinc/77/88/08/823778808.db2.gz KIYRIOLQRSZDJN-HBFSDRIKSA-N 1 1 387.907 4.362 20 0 GIADMO CCCN(C(=O)c1cc(CC(C)C)c[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000413452759 823780672 /nfs/dbraw/zinc/78/06/72/823780672.db2.gz LNZZTKZKCAIJTE-UHFFFAOYSA-N 1 1 397.567 4.141 20 0 GIADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000164173575 823783757 /nfs/dbraw/zinc/78/37/57/823783757.db2.gz GMAGNKPWXZNBGS-URVUXULASA-N 1 1 387.568 4.108 20 0 GIADMO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461987235 823784219 /nfs/dbraw/zinc/78/42/19/823784219.db2.gz UZUBPBYIVUJNGM-AUUYWEPGSA-N 1 1 377.315 4.315 20 0 GIADMO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000461987235 823784227 /nfs/dbraw/zinc/78/42/27/823784227.db2.gz UZUBPBYIVUJNGM-AUUYWEPGSA-N 1 1 377.315 4.315 20 0 GIADMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCc2c1cccc2F ZINC000461991387 823786540 /nfs/dbraw/zinc/78/65/40/823786540.db2.gz HUGFOTIVMZIWRF-YQQQUEKLSA-N 1 1 379.479 4.093 20 0 GIADMO CC[C@H]([NH2+][C@@H](CCSC)c1nnc2ccccn21)c1ccc2c(c1)OCCO2 ZINC000164232981 823787968 /nfs/dbraw/zinc/78/79/68/823787968.db2.gz XBKOHCCIHKSECT-IRXDYDNUSA-N 1 1 398.532 4.036 20 0 GIADMO CCS(=O)(=O)c1ccc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000191830720 823788711 /nfs/dbraw/zinc/78/87/11/823788711.db2.gz YMUNDAVXFIFIBF-UHFFFAOYSA-N 1 1 398.528 4.317 20 0 GIADMO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831528 823789411 /nfs/dbraw/zinc/78/94/11/823789411.db2.gz AIPSZPHHYKPHHR-PXNSSMCTSA-N 1 1 381.545 4.238 20 0 GIADMO C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cnc2ccsc2c1 ZINC000191831528 823789415 /nfs/dbraw/zinc/78/94/15/823789415.db2.gz AIPSZPHHYKPHHR-PXNSSMCTSA-N 1 1 381.545 4.238 20 0 GIADMO CSCC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)c1nnc2ccccn21 ZINC000164293016 823793874 /nfs/dbraw/zinc/79/38/74/823793874.db2.gz CVBASGIOEDRMQW-WMLDXEAASA-N 1 1 387.528 4.079 20 0 GIADMO CCO[C@@H](CC)C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000574661768 823793953 /nfs/dbraw/zinc/79/39/53/823793953.db2.gz SQVKUMCKMQGKDS-FPVZDTGUSA-N 1 1 378.944 4.185 20 0 GIADMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)c2C1 ZINC000462019839 823796485 /nfs/dbraw/zinc/79/64/85/823796485.db2.gz FDUWEEUTLVAFNB-KRWDZBQOSA-N 1 1 378.520 4.296 20 0 GIADMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)c2C1 ZINC000462019839 823796490 /nfs/dbraw/zinc/79/64/90/823796490.db2.gz FDUWEEUTLVAFNB-KRWDZBQOSA-N 1 1 378.520 4.296 20 0 GIADMO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000413556662 823796836 /nfs/dbraw/zinc/79/68/36/823796836.db2.gz SYSRYZMUMVLBNZ-WMZOPIPTSA-N 1 1 385.474 4.176 20 0 GIADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462025233 823799799 /nfs/dbraw/zinc/79/97/99/823799799.db2.gz HJAVJXVCADQUIA-LSDHHAIUSA-N 1 1 399.348 4.318 20 0 GIADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)c2ccc(F)c(Br)c2)C1 ZINC000462025230 823799972 /nfs/dbraw/zinc/79/99/72/823799972.db2.gz HJAVJXVCADQUIA-CABCVRRESA-N 1 1 399.348 4.318 20 0 GIADMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccccc3COc3ccccc3)CC[C@@H]21 ZINC000164432735 823802727 /nfs/dbraw/zinc/80/27/27/823802727.db2.gz LBMGBHICCAPHQY-GCJKJVERSA-N 1 1 379.504 4.214 20 0 GIADMO COCOc1ccc(OC)cc1C[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000164448029 823803320 /nfs/dbraw/zinc/80/33/20/823803320.db2.gz MNSFAFQQHPVQKD-UHFFFAOYSA-N 1 1 386.492 4.074 20 0 GIADMO CCCCN1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000164489536 823805044 /nfs/dbraw/zinc/80/50/44/823805044.db2.gz BRSYKZSAKXGUST-HNNXBMFYSA-N 1 1 396.373 4.020 20 0 GIADMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000064381698 823805677 /nfs/dbraw/zinc/80/56/77/823805677.db2.gz XJFOPEFGBCRNLP-UHFFFAOYSA-N 1 1 396.506 4.249 20 0 GIADMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)c2cccc(Br)c2)C1 ZINC000462042778 823809299 /nfs/dbraw/zinc/80/92/99/823809299.db2.gz WKRBFDGATMFLQU-YOEHRIQHSA-N 1 1 390.325 4.175 20 0 GIADMO Cc1cc(CNC(=O)c2ccc(-c3ccccc3F)o2)cc(N2CCCC2)[nH+]1 ZINC000574730047 823812399 /nfs/dbraw/zinc/81/23/99/823812399.db2.gz LLYNXVJLQXSCET-UHFFFAOYSA-N 1 1 379.435 4.319 20 0 GIADMO CCc1ccc(Cl)c(CC)c1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000574731463 823812974 /nfs/dbraw/zinc/81/29/74/823812974.db2.gz BARIARIXXBFZKP-KRWDZBQOSA-N 1 1 393.959 4.183 20 0 GIADMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)C1 ZINC000462055232 823814499 /nfs/dbraw/zinc/81/44/99/823814499.db2.gz PVQJOBHWRTZOOT-SCLBCKFNSA-N 1 1 384.351 4.428 20 0 GIADMO CSc1cccc(C)c1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191937171 823816528 /nfs/dbraw/zinc/81/65/28/823816528.db2.gz AUBSMPIOSOOAKZ-LJQANCHMSA-N 1 1 399.560 4.130 20 0 GIADMO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773501 823823044 /nfs/dbraw/zinc/82/30/44/823823044.db2.gz JGIJJNDLEMIQKO-QFIPXVFZSA-N 1 1 388.559 4.349 20 0 GIADMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773501 823823055 /nfs/dbraw/zinc/82/30/55/823823055.db2.gz JGIJJNDLEMIQKO-QFIPXVFZSA-N 1 1 388.559 4.349 20 0 GIADMO O=C(c1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000191958101 823824660 /nfs/dbraw/zinc/82/46/60/823824660.db2.gz CTXPGNTVUAKFEG-FQEVSTJZSA-N 1 1 382.891 4.188 20 0 GIADMO O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000191974421 823829366 /nfs/dbraw/zinc/82/93/66/823829366.db2.gz WFZFRTYNUABMHE-PMVMPFDFSA-N 1 1 396.506 4.074 20 0 GIADMO O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000191974421 823829368 /nfs/dbraw/zinc/82/93/68/823829368.db2.gz WFZFRTYNUABMHE-PMVMPFDFSA-N 1 1 396.506 4.074 20 0 GIADMO Cc1csc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1Br ZINC000191986262 823831193 /nfs/dbraw/zinc/83/11/93/823831193.db2.gz JUAJOJMOSCWEEJ-ZDUSSCGKSA-N 1 1 397.338 4.369 20 0 GIADMO C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000413748141 823832211 /nfs/dbraw/zinc/83/22/11/823832211.db2.gz MTBOCBAQZNPEQH-XLIONFOSSA-N 1 1 397.485 4.273 20 0 GIADMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)CC(F)(F)F ZINC000413753014 823834641 /nfs/dbraw/zinc/83/46/41/823834641.db2.gz XDXWQVKMHQWWRB-WMZOPIPTSA-N 1 1 385.474 4.129 20 0 GIADMO CC(C)(C)c1ncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000064521003 823834723 /nfs/dbraw/zinc/83/47/23/823834723.db2.gz GVWSIUNESNQKRP-AWEZNQCLSA-N 1 1 377.579 4.144 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000064521299 823835092 /nfs/dbraw/zinc/83/50/92/823835092.db2.gz PCPZPUVHBUKWLN-UAGQMJEPSA-N 1 1 388.499 4.445 20 0 GIADMO O=C(CCn1ccc2ccccc21)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064521969 823835550 /nfs/dbraw/zinc/83/55/50/823835550.db2.gz KUCHGVIVLFGTNI-SFHVURJKSA-N 1 1 381.545 4.121 20 0 GIADMO CC(C)c1ccc(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000064522019 823835643 /nfs/dbraw/zinc/83/56/43/823835643.db2.gz DBUOMZVCIHGLEF-SFHVURJKSA-N 1 1 386.561 4.279 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Br)s1 ZINC000064522068 823835932 /nfs/dbraw/zinc/83/59/32/823835932.db2.gz SOOMUKYKEUZNBJ-LBPRGKRZSA-N 1 1 399.379 4.214 20 0 GIADMO COc1ccc(Cl)c(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000064547940 823841795 /nfs/dbraw/zinc/84/17/95/823841795.db2.gz JTZPIQLHCGVWBB-UHFFFAOYSA-N 1 1 379.932 4.469 20 0 GIADMO Cc1nc(C2CC[NH+](Cc3coc(-c4ccc(C(F)(F)F)cc4)n3)CC2)no1 ZINC000165278621 823841954 /nfs/dbraw/zinc/84/19/54/823841954.db2.gz DRHUIHQMUZTTKX-UHFFFAOYSA-N 1 1 392.381 4.431 20 0 GIADMO C[C@@H](C(=O)Nc1ccc(F)cc1OCCC(F)(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413790447 823842196 /nfs/dbraw/zinc/84/21/96/823842196.db2.gz KIZJBCPROGMGKH-XQQFMLRXSA-N 1 1 376.394 4.357 20 0 GIADMO CC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000126332399 823842313 /nfs/dbraw/zinc/84/23/13/823842313.db2.gz KSDBIOHWVIHANR-IPQPSQTFSA-N 1 1 384.549 4.089 20 0 GIADMO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300262 823842846 /nfs/dbraw/zinc/84/28/46/823842846.db2.gz MDVZKDLRZFORBL-AZUAARDMSA-N 1 1 391.559 4.132 20 0 GIADMO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300262 823842853 /nfs/dbraw/zinc/84/28/53/823842853.db2.gz MDVZKDLRZFORBL-AZUAARDMSA-N 1 1 391.559 4.132 20 0 GIADMO Cc1ccccc1C[N@H+]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000064556837 823843527 /nfs/dbraw/zinc/84/35/27/823843527.db2.gz MOYQVXWPDWDFBW-UHFFFAOYSA-N 1 1 378.495 4.028 20 0 GIADMO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Oc1cccnc1 ZINC000165344560 823844467 /nfs/dbraw/zinc/84/44/67/823844467.db2.gz ZSCPAJXYQYTXJY-YLJYHZDGSA-N 1 1 380.492 4.130 20 0 GIADMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCCN2C ZINC000064561682 823844851 /nfs/dbraw/zinc/84/48/51/823844851.db2.gz REBMWNGCBSUCGP-UHFFFAOYSA-N 1 1 380.536 4.231 20 0 GIADMO CN1CCCc2cc(NC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)ccc21 ZINC000064561418 823844982 /nfs/dbraw/zinc/84/49/82/823844982.db2.gz CSXKVCXYKQPAKL-UHFFFAOYSA-N 1 1 384.568 4.189 20 0 GIADMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)sc2C1 ZINC000165365230 823845430 /nfs/dbraw/zinc/84/54/30/823845430.db2.gz OAVLOXYJDCZXPP-UHFFFAOYSA-N 1 1 398.919 4.489 20 0 GIADMO CC[N@H+]1CCc2nc(NC(=O)c3cc(-c4ccccn4)ccc3Cl)sc2C1 ZINC000165365230 823845437 /nfs/dbraw/zinc/84/54/37/823845437.db2.gz OAVLOXYJDCZXPP-UHFFFAOYSA-N 1 1 398.919 4.489 20 0 GIADMO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2Br)cn1 ZINC000126351075 823846337 /nfs/dbraw/zinc/84/63/37/823846337.db2.gz FQTBHUJGNFEHSF-GFCCVEGCSA-N 1 1 389.272 4.328 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000064563992 823847179 /nfs/dbraw/zinc/84/71/79/823847179.db2.gz OQFXINDPPIOMHX-KGLIPLIRSA-N 1 1 387.446 4.346 20 0 GIADMO CCOc1ccc(-c2noc(C[NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000192059578 823847126 /nfs/dbraw/zinc/84/71/26/823847126.db2.gz PFPOGWLVAZPQSL-QUCCMNQESA-N 1 1 399.878 4.409 20 0 GIADMO C[C@H](c1ccc(NC(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000126361135 823848526 /nfs/dbraw/zinc/84/85/26/823848526.db2.gz XZFGQPSFOXWASZ-RDTXWAMCSA-N 1 1 399.457 4.322 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000462161598 823849646 /nfs/dbraw/zinc/84/96/46/823849646.db2.gz YMTVURCILCSSGP-MBSDFSHPSA-N 1 1 387.483 4.124 20 0 GIADMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2nnc(C3CC3)s2)c1 ZINC000413847386 823850192 /nfs/dbraw/zinc/85/01/92/823850192.db2.gz UDPCRWLGHPZEOB-UHFFFAOYSA-N 1 1 396.520 4.105 20 0 GIADMO C[C@@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462166217 823850909 /nfs/dbraw/zinc/85/09/09/823850909.db2.gz FECWJOUWPRHZMS-ZBFHGGJFSA-N 1 1 383.458 4.140 20 0 GIADMO Cc1cccc(C(NC(=O)c2cc(C[NH+]3CCCC3)on2)c2cccc(C)c2)c1 ZINC000462169834 823852002 /nfs/dbraw/zinc/85/20/02/823852002.db2.gz INQIOJRETXSXEX-UHFFFAOYSA-N 1 1 389.499 4.407 20 0 GIADMO CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000165544141 823853130 /nfs/dbraw/zinc/85/31/30/823853130.db2.gz WETWTRVWYZGRLW-PMACEKPBSA-N 1 1 392.975 4.141 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000462173000 823853615 /nfs/dbraw/zinc/85/36/15/823853615.db2.gz BHYYLTJPRGPTCT-PBHICJAKSA-N 1 1 383.542 4.122 20 0 GIADMO Fc1cc([C@@H]2OCC[C@@H]2[NH2+]Cc2nc(-c3ccsc3)no2)ccc1Cl ZINC000192082146 823853848 /nfs/dbraw/zinc/85/38/48/823853848.db2.gz IHLZJKNRGNHXTD-HOCLYGCPSA-N 1 1 379.844 4.210 20 0 GIADMO CC[C@H](C)NC(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000462174486 823854004 /nfs/dbraw/zinc/85/40/04/823854004.db2.gz HIJAMEVQJZUQPN-RBZFPXEDSA-N 1 1 378.488 4.280 20 0 GIADMO CC(C)c1nc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cs1 ZINC000064627824 823854581 /nfs/dbraw/zinc/85/45/81/823854581.db2.gz HZOBRRDALMAERJ-CYBMUJFWSA-N 1 1 378.929 4.166 20 0 GIADMO CC(C)c1nc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cs1 ZINC000064627824 823854584 /nfs/dbraw/zinc/85/45/84/823854584.db2.gz HZOBRRDALMAERJ-CYBMUJFWSA-N 1 1 378.929 4.166 20 0 GIADMO CCC[N@@H+](CCC(=O)N1CCc2sccc2C1)[C@@H]1CCc2ccccc2C1 ZINC000064632679 823855520 /nfs/dbraw/zinc/85/55/20/823855520.db2.gz BPWZAEHCDWYEAM-OAQYLSRUSA-N 1 1 382.573 4.292 20 0 GIADMO Cc1ccc2c(CCC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c[nH]c2c1 ZINC000462189086 823861532 /nfs/dbraw/zinc/86/15/32/823861532.db2.gz PAZSWJMUERRTGY-FDDCHVKYSA-N 1 1 375.516 4.046 20 0 GIADMO O=C(c1cc(C[NH+]2CCCC2)on1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000462190331 823861968 /nfs/dbraw/zinc/86/19/68/823861968.db2.gz OCHYZUGQZCGHMT-UHFFFAOYSA-N 1 1 385.483 4.037 20 0 GIADMO C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462197869 823865676 /nfs/dbraw/zinc/86/56/76/823865676.db2.gz VWPXXAMYTCNRPI-LBPRGKRZSA-N 1 1 394.302 4.337 20 0 GIADMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc(OC(F)F)cc1 ZINC000064695278 823865922 /nfs/dbraw/zinc/86/59/22/823865922.db2.gz QDXDULOIBVEYOL-AWEZNQCLSA-N 1 1 395.475 4.383 20 0 GIADMO CCOc1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC000574943592 823867081 /nfs/dbraw/zinc/86/70/81/823867081.db2.gz APHXSYTUODZASB-DEOSSOPVSA-N 1 1 380.532 4.192 20 0 GIADMO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1N(C)C ZINC000064698313 823867218 /nfs/dbraw/zinc/86/72/18/823867218.db2.gz YUFXURLCSOSFDU-KRWDZBQOSA-N 1 1 386.565 4.156 20 0 GIADMO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c2ccccc2O1 ZINC000574959705 823871685 /nfs/dbraw/zinc/87/16/85/823871685.db2.gz PQUNNGDVXUQOGF-BZSOYRFXSA-N 1 1 399.560 4.343 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CSCc2cccc(Cl)c2)C1 ZINC000064725790 823872494 /nfs/dbraw/zinc/87/24/94/823872494.db2.gz GVVVZTJBRJZJEU-JTDSTZFVSA-N 1 1 380.985 4.437 20 0 GIADMO CCC[N@H+](CCOc1c(Cl)cc(Cl)cc1Cl)Cc1nccc(N)n1 ZINC000574961637 823872572 /nfs/dbraw/zinc/87/25/72/823872572.db2.gz FYKZLANLQHQUAT-UHFFFAOYSA-N 1 1 389.714 4.140 20 0 GIADMO CCC[N@@H+](CCOc1c(Cl)cc(Cl)cc1Cl)Cc1nccc(N)n1 ZINC000574961637 823872582 /nfs/dbraw/zinc/87/25/82/823872582.db2.gz FYKZLANLQHQUAT-UHFFFAOYSA-N 1 1 389.714 4.140 20 0 GIADMO CCCC[C@H](C)N(C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000574964585 823874308 /nfs/dbraw/zinc/87/43/08/823874308.db2.gz LTXPVEWTKHZCIQ-SFHVURJKSA-N 1 1 386.540 4.016 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000064735877 823875797 /nfs/dbraw/zinc/87/57/97/823875797.db2.gz LGUOCFFQHLMVLC-YRNRMSPPSA-N 1 1 386.927 4.003 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000064736024 823875862 /nfs/dbraw/zinc/87/58/62/823875862.db2.gz KINOPMVIAWQGDQ-GQIGUUNPSA-N 1 1 386.927 4.003 20 0 GIADMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc(NC(=O)c3ccco3)c2)C1 ZINC000064735976 823875926 /nfs/dbraw/zinc/87/59/26/823875926.db2.gz UMLSJCXIAWPXMU-FUHIMQAGSA-N 1 1 395.503 4.009 20 0 GIADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000064737443 823876597 /nfs/dbraw/zinc/87/65/97/823876597.db2.gz IDAWIQQUNVRQPC-NSHDSACASA-N 1 1 394.953 4.025 20 0 GIADMO Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Oc1ccncc1 ZINC000126487613 823881276 /nfs/dbraw/zinc/88/12/76/823881276.db2.gz CAEZEXCDTJPFDK-DENIHFKCSA-N 1 1 391.515 4.271 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)co2)cc1 ZINC000166747777 823882325 /nfs/dbraw/zinc/88/23/25/823882325.db2.gz MDHBCUAHALPJPC-GOSISDBHSA-N 1 1 389.377 4.409 20 0 GIADMO FC(F)(F)c1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)co2)cc1 ZINC000166747777 823882336 /nfs/dbraw/zinc/88/23/36/823882336.db2.gz MDHBCUAHALPJPC-GOSISDBHSA-N 1 1 389.377 4.409 20 0 GIADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccccc1Br ZINC000462232261 823885435 /nfs/dbraw/zinc/88/54/35/823885435.db2.gz HPGDPVBNTNVHCZ-RDTXWAMCSA-N 1 1 388.309 4.091 20 0 GIADMO CC(C)(C)C[N@@H+](CCCO)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000575011131 823887042 /nfs/dbraw/zinc/88/70/42/823887042.db2.gz QCCKMLBVDGAWGC-UHFFFAOYSA-N 1 1 381.314 4.335 20 0 GIADMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccc(OC(F)F)cc1F ZINC000575022196 823890594 /nfs/dbraw/zinc/89/05/94/823890594.db2.gz JDBBFNKLGCFZPW-OAHLLOKOSA-N 1 1 393.409 4.213 20 0 GIADMO CCc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)o1 ZINC000167454427 823892071 /nfs/dbraw/zinc/89/20/71/823892071.db2.gz FPBRLIWLHYZHJU-MRXNPFEDSA-N 1 1 378.476 4.410 20 0 GIADMO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000575035047 823895463 /nfs/dbraw/zinc/89/54/63/823895463.db2.gz MHBQQSZYTIFASU-UHFFFAOYSA-N 1 1 382.895 4.363 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1Br ZINC000167899927 823897565 /nfs/dbraw/zinc/89/75/65/823897565.db2.gz OXYOREIADNSWQR-IUODEOHRSA-N 1 1 393.329 4.358 20 0 GIADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000462251585 823898877 /nfs/dbraw/zinc/89/88/77/823898877.db2.gz BOJRVVSHHQCSIJ-SUMWQHHRSA-N 1 1 393.409 4.069 20 0 GIADMO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccccc1CO ZINC000168153945 823900684 /nfs/dbraw/zinc/90/06/84/823900684.db2.gz HWIUDVUTWILFNE-UHFFFAOYSA-N 1 1 383.923 4.490 20 0 GIADMO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3ccn(C)n3)c(C(F)(F)F)c2)n1 ZINC000414071869 823901299 /nfs/dbraw/zinc/90/12/99/823901299.db2.gz MBKOYNVOHDGLKS-AWEZNQCLSA-N 1 1 377.414 4.092 20 0 GIADMO CC(C)OC1CC([NH2+][C@@H](C)c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000575060195 823901822 /nfs/dbraw/zinc/90/18/22/823901822.db2.gz DSMLAJHQOAPXBL-QGLTVNCISA-N 1 1 380.286 4.106 20 0 GIADMO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)COc2ccccc2C(F)(F)F)s1 ZINC000414077590 823903280 /nfs/dbraw/zinc/90/32/80/823903280.db2.gz RFNMHPAEKMQNMM-GHMZBOCLSA-N 1 1 388.411 4.067 20 0 GIADMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(Cl)c1Cl ZINC000192210862 823904047 /nfs/dbraw/zinc/90/40/47/823904047.db2.gz GVISNYBBFVYMNB-MRXNPFEDSA-N 1 1 393.314 4.014 20 0 GIADMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)cc1NC(C)=O ZINC000168592317 823904228 /nfs/dbraw/zinc/90/42/28/823904228.db2.gz RWVHDGNQOJDNSE-CHWSQXEVSA-N 1 1 390.455 4.222 20 0 GIADMO Cc1ccc(OC(F)F)c(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000168610204 823905102 /nfs/dbraw/zinc/90/51/02/823905102.db2.gz ZGZQWIAOPCEWMY-MRXNPFEDSA-N 1 1 378.463 4.388 20 0 GIADMO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2csc(-c3ccccc3)n2)c1 ZINC000414085981 823906166 /nfs/dbraw/zinc/90/61/66/823906166.db2.gz ZCRMVNWKMQFDQV-INIZCTEOSA-N 1 1 395.528 4.176 20 0 GIADMO C[C@@H](c1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1)[NH+]1CCOCC1 ZINC000192216490 823906467 /nfs/dbraw/zinc/90/64/67/823906467.db2.gz OYBAJEWGYWXXBN-ZDUSSCGKSA-N 1 1 375.856 4.083 20 0 GIADMO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414091587 823907136 /nfs/dbraw/zinc/90/71/36/823907136.db2.gz LUHFZTDKCGCKGA-AGOPTVSRSA-N 1 1 376.972 4.334 20 0 GIADMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCCOCc1ccccc1 ZINC000064898547 823907979 /nfs/dbraw/zinc/90/79/79/823907979.db2.gz IWXXTKPDOWWZMP-GGAORHGYSA-N 1 1 378.516 4.126 20 0 GIADMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2)n1 ZINC000414105333 823910954 /nfs/dbraw/zinc/91/09/54/823910954.db2.gz GODCFBPQYHPKEY-UTKZUKDTSA-N 1 1 393.556 4.228 20 0 GIADMO COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126621229 823913278 /nfs/dbraw/zinc/91/32/78/823913278.db2.gz SGGYXWBQGUZTQB-PXNSSMCTSA-N 1 1 382.895 4.030 20 0 GIADMO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1csc(-c2ccccc2)n1 ZINC000414123545 823914434 /nfs/dbraw/zinc/91/44/34/823914434.db2.gz ORJWAWWTRPCGIB-VQIMIIECSA-N 1 1 379.529 4.160 20 0 GIADMO NC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4ccccc4)C3)cs2)cc1 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394.906 4.091 20 0 GIADMO Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)c2)cs1 ZINC000065140640 823950975 /nfs/dbraw/zinc/95/09/75/823950975.db2.gz FXURZBUBCMCPBK-RDTXWAMCSA-N 1 1 380.517 4.012 20 0 GIADMO CCOc1ccc(S(=O)(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1 ZINC000462379979 823951019 /nfs/dbraw/zinc/95/10/19/823951019.db2.gz JILYFXXMIWSBBZ-MRXNPFEDSA-N 1 1 388.533 4.246 20 0 GIADMO CCOc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1 ZINC000462379979 823951028 /nfs/dbraw/zinc/95/10/28/823951028.db2.gz JILYFXXMIWSBBZ-MRXNPFEDSA-N 1 1 388.533 4.246 20 0 GIADMO COCCCC[N@H+](Cc1nc(-c2ccccc2OC)no1)Cc1ccccc1 ZINC000065165412 823956115 /nfs/dbraw/zinc/95/61/15/823956115.db2.gz RYCPZUZMSCKDBN-UHFFFAOYSA-N 1 1 381.476 4.174 20 0 GIADMO COCCCC[N@@H+](Cc1nc(-c2ccccc2OC)no1)Cc1ccccc1 ZINC000065165412 823956118 /nfs/dbraw/zinc/95/61/18/823956118.db2.gz RYCPZUZMSCKDBN-UHFFFAOYSA-N 1 1 381.476 4.174 20 0 GIADMO FC(F)SCc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355140 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PZCXRUUMNNFXDL-UHFFFAOYSA-N 1 1 377.463 4.415 20 0 GIADMO Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126859482 823968683 /nfs/dbraw/zinc/96/86/83/823968683.db2.gz ZCEFRDFBGAMDCX-LAUBAEHRSA-N 1 1 382.458 4.032 20 0 GIADMO c1ccc2cc(OCCC[N@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)ccc2c1 ZINC000170776931 823968715 /nfs/dbraw/zinc/96/87/15/823968715.db2.gz KJFQWUXAVKGXCN-HXUWFJFHSA-N 1 1 376.504 4.026 20 0 GIADMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000575415365 823968933 /nfs/dbraw/zinc/96/89/33/823968933.db2.gz HGQSKSUQDOAVHA-IFMALSPDSA-N 1 1 394.515 4.253 20 0 GIADMO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000575415365 823968937 /nfs/dbraw/zinc/96/89/37/823968937.db2.gz HGQSKSUQDOAVHA-IFMALSPDSA-N 1 1 394.515 4.253 20 0 GIADMO CC[C@H](CNC(=O)CCc1cncc2ccccc21)[N@H+]1CCc2ccccc2C1 ZINC000462422475 823969422 /nfs/dbraw/zinc/96/94/22/823969422.db2.gz ZADXVGGQAALLSO-HSZRJFAPSA-N 1 1 387.527 4.121 20 0 GIADMO CC(C)n1c(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nc2ccccc21 ZINC000575427867 823969838 /nfs/dbraw/zinc/96/98/38/823969838.db2.gz DOYWNGCCNKPWAE-HXUWFJFHSA-N 1 1 384.911 4.190 20 0 GIADMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ncc(C(C)C)s2)C1 ZINC000192400095 823970925 /nfs/dbraw/zinc/97/09/25/823970925.db2.gz TVACHDGTWQVKCE-AWEZNQCLSA-N 1 1 393.582 4.017 20 0 GIADMO Brc1ccccc1N1CC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126873030 823971258 /nfs/dbraw/zinc/97/12/58/823971258.db2.gz NXTGENQTBAPAHB-LPHOPBHVSA-N 1 1 397.320 4.130 20 0 GIADMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000170785709 823971330 /nfs/dbraw/zinc/97/13/30/823971330.db2.gz KBVNBDFNCHSCOD-OAQYLSRUSA-N 1 1 377.488 4.345 20 0 GIADMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)/C=C(\C)c1ccccc1OC ZINC000170813158 823978020 /nfs/dbraw/zinc/97/80/20/823978020.db2.gz VNRDCKSMUHFFML-HCUHUEOSSA-N 1 1 393.531 4.007 20 0 GIADMO CCCCOc1cc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)ccc1OC ZINC000575600653 823978628 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379.479 4.190 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000575769108 823989883 /nfs/dbraw/zinc/98/98/83/823989883.db2.gz BBUSIFJZCVKPGO-WCQYABFASA-N 1 1 385.468 4.155 20 0 GIADMO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000575769108 823989890 /nfs/dbraw/zinc/98/98/90/823989890.db2.gz BBUSIFJZCVKPGO-WCQYABFASA-N 1 1 385.468 4.155 20 0 GIADMO COc1ccccc1-c1ccc(C[N@@H+](Cc2cc(=O)c(O)co2)C(C)C)cc1 ZINC000126967442 823991433 /nfs/dbraw/zinc/99/14/33/823991433.db2.gz KXKCQKHHBAFBEX-UHFFFAOYSA-N 1 1 379.456 4.432 20 0 GIADMO Cc1ccc(NCCCNC(=O)NC(c2cccs2)c2cccs2)[nH+]c1 ZINC000126982461 823994498 /nfs/dbraw/zinc/99/44/98/823994498.db2.gz BJEPUPATHJFKSU-UHFFFAOYSA-N 1 1 386.546 4.404 20 0 GIADMO Cc1cc(CNC(=O)NCc2ccc(-c3ccccc3)o2)cc(N2CCCC2)[nH+]1 ZINC000575794388 823998179 /nfs/dbraw/zinc/99/81/79/823998179.db2.gz CUZDENLXDCWFKK-UHFFFAOYSA-N 1 1 390.487 4.250 20 0 GIADMO Cc1c(O)ccc2c(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)cc(=O)oc12 ZINC000192462905 824000381 /nfs/dbraw/zinc/00/03/81/824000381.db2.gz OZOKVZZCYXQMBF-UHFFFAOYSA-N 1 1 395.430 4.041 20 0 GIADMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000127012272 824000649 /nfs/dbraw/zinc/00/06/49/824000649.db2.gz LDLWFYIAJUFCNW-OAHLLOKOSA-N 1 1 388.537 4.036 20 0 GIADMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000127012272 824000654 /nfs/dbraw/zinc/00/06/54/824000654.db2.gz LDLWFYIAJUFCNW-OAHLLOKOSA-N 1 1 388.537 4.036 20 0 GIADMO CC[C@@H](C)[N@@H+](CCc1ccncc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000192470733 824003523 /nfs/dbraw/zinc/00/35/23/824003523.db2.gz VUTGPTYVLVTKAX-OAHLLOKOSA-N 1 1 379.426 4.382 20 0 GIADMO Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575827981 824005498 /nfs/dbraw/zinc/00/54/98/824005498.db2.gz BRJWFPOAKAEWQC-KXBFYZLASA-N 1 1 395.528 4.033 20 0 GIADMO COc1ccc(Oc2ccc(C[N@H+]3CCC[C@H](N4CCCC4=O)CC3)cc2)cc1 ZINC000414543872 824007087 /nfs/dbraw/zinc/00/70/87/824007087.db2.gz CNKSXPSXKHFJKA-FQEVSTJZSA-N 1 1 394.515 4.464 20 0 GIADMO Fc1ccc(-n2cc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)cn2)cc1 ZINC000414552508 824010064 /nfs/dbraw/zinc/01/00/64/824010064.db2.gz KJIUZTXMTHCNFR-JOCHJYFZSA-N 1 1 377.463 4.365 20 0 GIADMO C[C@H]1CN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CCO1 ZINC000414560308 824013135 /nfs/dbraw/zinc/01/31/35/824013135.db2.gz QVBMVWKNLZSSCT-RDPSFJRHSA-N 1 1 392.543 4.265 20 0 GIADMO Cc1nc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)sc1C(F)(F)F ZINC000575884551 824019788 /nfs/dbraw/zinc/01/97/88/824019788.db2.gz JIZQWESSEZASGH-JSGCOSHPSA-N 1 1 398.454 4.427 20 0 GIADMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000414668932 824022089 /nfs/dbraw/zinc/02/20/89/824022089.db2.gz JRUPPAPRFQTPDN-MRXNPFEDSA-N 1 1 380.275 4.180 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(F)c1 ZINC000575898565 824023323 /nfs/dbraw/zinc/02/33/23/824023323.db2.gz JDBZRGSPVKLZNC-IFXJQAMLSA-N 1 1 391.512 4.491 20 0 GIADMO CCOc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(F)c1 ZINC000575898566 824023456 /nfs/dbraw/zinc/02/34/56/824023456.db2.gz JDBZRGSPVKLZNC-KUHUBIRLSA-N 1 1 391.512 4.491 20 0 GIADMO C[N@H+]1CCC[C@@H](CNC(=O)CCN2c3ccccc3Sc3ccccc32)C1 ZINC000170977680 824026348 /nfs/dbraw/zinc/02/63/48/824026348.db2.gz UXURAACTUKDNHS-KRWDZBQOSA-N 1 1 381.545 4.137 20 0 GIADMO Cc1nc2ccc(NC(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2o1 ZINC000575910059 824027091 /nfs/dbraw/zinc/02/70/91/824027091.db2.gz DWRZRKANIDKNCT-RBUKOAKNSA-N 1 1 390.487 4.122 20 0 GIADMO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575933334 824031973 /nfs/dbraw/zinc/03/19/73/824031973.db2.gz KGOQWMSWEHTDBG-LJQANCHMSA-N 1 1 393.531 4.440 20 0 GIADMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000575937300 824032610 /nfs/dbraw/zinc/03/26/10/824032610.db2.gz CRHSHBRHHFMXBL-ZACQAIPSSA-N 1 1 384.524 4.135 20 0 GIADMO COCc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000192567206 824033539 /nfs/dbraw/zinc/03/35/39/824033539.db2.gz NJVUKPUZBAHEMR-PGRDOPGGSA-N 1 1 381.520 4.350 20 0 GIADMO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(C2CCCCC2)n1 ZINC000575953936 824036294 /nfs/dbraw/zinc/03/62/94/824036294.db2.gz ZNQPMSZZRDVOJS-HXUWFJFHSA-N 1 1 399.514 4.003 20 0 GIADMO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(C2CCCCC2)n1 ZINC000575953936 824036300 /nfs/dbraw/zinc/03/63/00/824036300.db2.gz ZNQPMSZZRDVOJS-HXUWFJFHSA-N 1 1 399.514 4.003 20 0 GIADMO C[C@@H]([NH3+])c1ccc(CNCc2cccc(Br)c2OC(F)F)cc1 ZINC000414810378 824038424 /nfs/dbraw/zinc/03/84/24/824038424.db2.gz NTALTERUNPBLKP-LLVKDONJSA-N 1 1 385.252 4.360 20 0 GIADMO Fc1ccc(-c2n[nH]cc2CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000575962642 824039315 /nfs/dbraw/zinc/03/93/15/824039315.db2.gz OFOAKIGNGHVLMA-IRLDBZIGSA-N 1 1 390.506 4.170 20 0 GIADMO Fc1ccc(-c2n[nH]cc2CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000575962642 824039316 /nfs/dbraw/zinc/03/93/16/824039316.db2.gz OFOAKIGNGHVLMA-IRLDBZIGSA-N 1 1 390.506 4.170 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962642 824039319 /nfs/dbraw/zinc/03/93/19/824039319.db2.gz OFOAKIGNGHVLMA-IRLDBZIGSA-N 1 1 390.506 4.170 20 0 GIADMO Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962642 824039321 /nfs/dbraw/zinc/03/93/21/824039321.db2.gz OFOAKIGNGHVLMA-IRLDBZIGSA-N 1 1 390.506 4.170 20 0 GIADMO Cc1nc(C[NH+]2CCC(CNC(=O)N[C@H]3CCC[C@@H]3C(C)(C)C)CC2)oc1C ZINC000575969426 824041442 /nfs/dbraw/zinc/04/14/42/824041442.db2.gz FWVZSGAEPLHLQD-OALUTQOASA-N 1 1 390.572 4.017 20 0 GIADMO O=C(CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1Cl ZINC000192599434 824042303 /nfs/dbraw/zinc/04/23/03/824042303.db2.gz AUFPZCCGOLAMLI-MRXNPFEDSA-N 1 1 385.895 4.019 20 0 GIADMO O=C(C[C@H]1CCC[N@@H+](CCc2ccc(F)c(F)c2)C1)NCc1ccc(F)cc1 ZINC000575985267 824044231 /nfs/dbraw/zinc/04/42/31/824044231.db2.gz DFGIWTGWRHSPTP-GOSISDBHSA-N 1 1 390.449 4.065 20 0 GIADMO CC(C)c1noc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000171039144 824044416 /nfs/dbraw/zinc/04/44/16/824044416.db2.gz LNKOMIYALIJUQS-CQSZACIVSA-N 1 1 387.871 4.276 20 0 GIADMO CC(C)c1noc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000171039144 824044422 /nfs/dbraw/zinc/04/44/22/824044422.db2.gz LNKOMIYALIJUQS-CQSZACIVSA-N 1 1 387.871 4.276 20 0 GIADMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)c1 ZINC000192625345 824048745 /nfs/dbraw/zinc/04/87/45/824048745.db2.gz MIJMSTDQKVKDSM-NEPJUHHUSA-N 1 1 380.847 4.174 20 0 GIADMO CC1CC[NH+]([C@H](CNc2ccc(S(C)(=O)=O)cc2F)c2cccs2)CC1 ZINC000576019653 824050939 /nfs/dbraw/zinc/05/09/39/824050939.db2.gz FHVVRJMGHSSNTH-GOSISDBHSA-N 1 1 396.553 4.176 20 0 GIADMO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](CN)c2ccc3ccccc3c2)c1C ZINC000414939855 824052313 /nfs/dbraw/zinc/05/23/13/824052313.db2.gz JXWWCEWIIQRTBV-GAJHUEQPSA-N 1 1 375.516 4.463 20 0 GIADMO Cc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccncc2)c(-c2cnn(C)c2)c1 ZINC000576028832 824053247 /nfs/dbraw/zinc/05/32/47/824053247.db2.gz XMONPQPGWCDODN-UHFFFAOYSA-N 1 1 397.526 4.430 20 0 GIADMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000171067522 824054921 /nfs/dbraw/zinc/05/49/21/824054921.db2.gz UYNYEYFSSZACPH-UHFFFAOYSA-N 1 1 392.446 4.021 20 0 GIADMO CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc(SC)cc2OC)CC1 ZINC000192650331 824055778 /nfs/dbraw/zinc/05/57/78/824055778.db2.gz ZFQORZOJJGAZKS-UHFFFAOYSA-N 1 1 379.570 4.393 20 0 GIADMO COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000359978593 212128409 /nfs/dbraw/zinc/12/84/09/212128409.db2.gz OKXZBWPTVSDXCS-ICSRJNTNSA-N 1 1 399.878 4.097 20 0 GIADMO CC(C)n1ccnc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000328604085 212084800 /nfs/dbraw/zinc/08/48/00/212084800.db2.gz ILUHAZWVWNRUJF-XMSQKQJNSA-N 1 1 377.492 4.068 20 0 GIADMO COc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(OC)c1OC ZINC000013993443 221295207 /nfs/dbraw/zinc/29/52/07/221295207.db2.gz CSUSDBVYWJWCCX-LJQANCHMSA-N 1 1 389.467 4.033 20 0 GIADMO COc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(OC)c1OC ZINC000013993443 221295209 /nfs/dbraw/zinc/29/52/09/221295209.db2.gz CSUSDBVYWJWCCX-LJQANCHMSA-N 1 1 389.467 4.033 20 0 GIADMO